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 1ntm_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.101 176.094 0.011 0.000 1.182 17 V CA 0.000 62.307 62.300 0.011 0.000 1.235 17 V CB 0.000 31.831 31.823 0.014 0.000 1.184 18 P HA 0.687 nan 4.420 nan 0.000 0.274 18 P C -2.428 174.888 177.300 0.026 0.000 1.237 18 P CA -0.767 62.339 63.100 0.009 0.000 0.793 18 P CB 0.070 31.766 31.700 -0.006 0.000 0.977 19 P HA 0.142 nan 4.420 nan 0.000 0.272 19 P C -0.529 176.827 177.300 0.094 0.000 1.240 19 P CA -0.138 63.002 63.100 0.067 0.000 0.791 19 P CB 0.290 32.024 31.700 0.056 0.000 0.978 20 H N 0.849 119.943 119.070 0.040 0.000 2.815 20 H HA 0.203 4.759 4.556 -0.000 0.000 0.350 20 H C -1.698 173.668 175.328 0.062 0.000 1.080 20 H CA -0.534 55.538 56.048 0.041 0.000 1.433 20 H CB -0.398 29.384 29.762 0.033 0.000 1.432 20 H HN 0.324 nan 8.280 nan 0.000 0.592 21 P HA 0.086 nan 4.420 nan 0.000 0.274 21 P C -0.427 176.897 177.300 0.041 0.000 1.256 21 P CA -0.585 62.502 63.100 -0.022 0.000 0.795 21 P CB 0.740 32.376 31.700 -0.108 0.000 1.038 22 Q N 0.436 120.232 119.800 -0.007 0.000 2.222 22 Q HA 0.322 4.662 4.340 -0.000 0.000 0.211 22 Q C -0.549 175.449 176.000 -0.004 0.000 1.013 22 Q CA -0.094 55.707 55.803 -0.004 0.000 0.993 22 Q CB 0.365 29.052 28.738 -0.085 0.000 1.151 22 Q HN 0.391 nan 8.270 nan 0.000 0.544 23 D N 0.464 120.870 120.400 0.010 0.000 2.198 23 D HA 0.320 4.960 4.640 -0.000 0.000 0.247 23 D C -0.504 175.797 176.300 0.002 0.000 1.010 23 D CA -0.614 53.401 54.000 0.026 0.000 0.880 23 D CB 1.249 42.075 40.800 0.043 0.000 1.209 23 D HN 0.292 nan 8.370 nan 0.000 0.451 24 L N 1.310 122.535 121.223 0.004 0.000 2.456 24 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 24 L C -0.042 176.812 176.870 -0.028 0.000 1.189 24 L CA 0.178 54.994 54.840 -0.040 0.000 0.846 24 L CB 0.345 42.271 42.059 -0.221 0.000 1.111 24 L HN 0.227 nan 8.230 nan 0.000 0.475 25 E N 4.990 125.163 120.200 -0.045 0.000 2.166 25 E HA 0.279 4.629 4.350 -0.000 0.000 0.275 25 E C -1.483 175.083 176.600 -0.057 0.000 0.941 25 E CA -0.434 55.859 56.400 -0.178 0.000 0.784 25 E CB 2.256 31.660 29.700 -0.494 0.000 1.115 25 E HN 0.462 nan 8.360 nan 0.000 0.399 26 F N 1.174 121.025 119.950 -0.164 0.000 2.540 26 F HA 0.396 4.923 4.527 -0.000 0.000 0.317 26 F C -0.753 175.079 175.800 0.053 0.000 1.104 26 F CA -0.207 57.802 58.000 0.015 0.000 0.913 26 F CB 2.132 41.151 39.000 0.033 0.000 1.170 26 F HN 0.176 nan 8.300 nan 0.000 0.450 27 T N 5.414 119.864 114.554 -0.173 0.000 3.032 27 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 27 T C -0.971 173.614 174.700 -0.192 0.000 1.078 27 T CA -0.756 61.332 62.100 -0.019 0.000 1.028 27 T CB 1.475 70.457 68.868 0.190 0.000 1.091 27 T HN 0.476 nan 8.240 nan 0.000 0.457 28 R N 2.878 123.356 120.500 -0.038 0.000 2.215 28 R HA 0.446 4.786 4.340 -0.000 0.000 0.337 28 R C -0.173 176.120 176.300 -0.012 0.000 1.010 28 R CA -0.638 55.441 56.100 -0.034 0.000 0.871 28 R CB 0.883 31.222 30.300 0.065 0.000 1.134 28 R HN 0.501 nan 8.270 nan 0.000 0.477 29 L N 5.015 126.216 121.223 -0.036 0.000 2.461 29 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 29 L C -0.866 175.999 176.870 -0.008 0.000 1.197 29 L CA -1.423 53.404 54.840 -0.022 0.000 0.836 29 L CB 0.499 42.536 42.059 -0.036 0.000 1.105 29 L HN 0.343 nan 8.230 nan 0.000 0.477 30 P HA -0.160 nan 4.420 nan 0.000 0.221 30 P C 0.598 177.897 177.300 -0.001 0.000 1.145 30 P CA 1.166 64.267 63.100 0.002 0.000 0.795 30 P CB -0.156 31.545 31.700 0.002 0.000 0.775 31 N N -0.714 117.981 118.700 -0.009 0.000 2.515 31 N HA 0.025 4.765 4.740 -0.000 0.000 0.191 31 N C 1.366 176.872 175.510 -0.007 0.000 1.182 31 N CA 1.040 54.084 53.050 -0.009 0.000 0.879 31 N CB -0.803 37.675 38.487 -0.015 0.000 0.984 31 N HN 0.258 nan 8.380 nan 0.000 0.453 32 G N -0.500 108.297 108.800 -0.005 0.000 2.349 32 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.213 32 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.213 32 G C -0.167 174.726 174.900 -0.011 0.000 1.044 32 G CA 0.007 45.106 45.100 -0.001 0.000 0.633 32 G HN 0.416 nan 8.290 nan 0.000 0.506 33 L N 1.645 122.853 121.223 -0.025 0.000 2.529 33 L HA 0.478 4.817 4.340 -0.000 0.000 0.287 33 L C 0.603 177.425 176.870 -0.080 0.000 1.241 33 L CA 0.572 55.386 54.840 -0.044 0.000 0.857 33 L CB 1.006 43.038 42.059 -0.046 0.000 1.113 33 L HN 0.222 nan 8.230 nan 0.000 0.504 34 V N 5.280 125.125 119.914 -0.116 0.000 2.628 34 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 34 V C -0.219 175.709 176.094 -0.277 0.000 1.045 34 V CA -0.713 61.436 62.300 -0.251 0.000 0.905 34 V CB 1.921 33.597 31.823 -0.245 0.000 0.997 34 V HN 0.500 nan 8.190 nan 0.000 0.436 35 I N 3.176 123.516 120.570 -0.385 0.000 2.498 35 I HA 0.853 5.023 4.170 -0.000 0.000 0.290 35 I C -0.172 175.803 176.117 -0.238 0.000 1.032 35 I CA -0.670 60.467 61.300 -0.272 0.000 1.073 35 I CB 1.597 39.427 38.000 -0.284 0.000 1.251 35 I HN 0.662 nan 8.210 nan 0.000 0.426 36 A N 4.360 127.115 122.820 -0.108 0.000 2.398 36 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 36 A C -0.481 177.146 177.584 0.071 0.000 1.041 36 A CA -0.446 51.610 52.037 0.031 0.000 0.711 36 A CB 1.724 20.737 19.000 0.021 0.000 1.240 36 A HN 0.848 nan 8.150 nan 0.000 0.420 37 S N 1.798 117.594 115.700 0.160 0.000 2.569 37 S HA 0.840 5.310 4.470 -0.000 0.000 0.280 37 S C -1.141 173.510 174.600 0.086 0.000 1.111 37 S CA -0.700 57.577 58.200 0.128 0.000 0.887 37 S CB 1.651 64.960 63.200 0.182 0.000 1.095 37 S HN 1.054 nan 8.310 nan 0.000 0.476 38 L N 1.448 122.711 121.223 0.066 0.000 2.436 38 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 38 L C -1.163 175.667 176.870 -0.067 0.000 0.974 38 L CA -0.402 54.445 54.840 0.013 0.000 0.826 38 L CB 2.107 44.208 42.059 0.069 0.000 1.291 38 L HN 0.945 nan 8.230 nan 0.000 0.406 39 E N 4.317 124.419 120.200 -0.164 0.000 2.069 39 E HA 0.152 4.502 4.350 -0.000 0.000 0.254 39 E C -0.556 175.744 176.600 -0.500 0.000 1.088 39 E CA -0.370 55.833 56.400 -0.329 0.000 1.017 39 E CB 0.014 29.468 29.700 -0.410 0.000 1.226 39 E HN 0.555 nan 8.360 nan 0.000 0.458 40 N N 2.110 120.631 118.700 -0.299 0.000 2.442 40 N HA -0.011 4.729 4.740 -0.000 0.000 0.265 40 N C -0.385 175.001 175.510 -0.206 0.000 1.138 40 N CA -0.481 52.430 53.050 -0.231 0.000 0.956 40 N CB 0.494 38.894 38.487 -0.146 0.000 1.067 40 N HN 0.235 nan 8.380 nan 0.000 0.474 41 Y N 1.275 121.565 120.300 -0.017 0.000 2.715 41 Y HA 0.059 4.609 4.550 -0.000 0.000 0.368 41 Y C 1.351 177.248 175.900 -0.006 0.000 1.125 41 Y CA -0.433 57.663 58.100 -0.006 0.000 1.447 41 Y CB -1.004 37.454 38.460 -0.003 0.000 1.438 41 Y HN 0.648 nan 8.280 nan 0.000 0.472 42 A N 0.849 123.711 122.820 0.071 0.000 2.520 42 A HA 0.076 4.396 4.320 -0.000 0.000 0.235 42 A C -1.179 176.438 177.584 0.053 0.000 1.065 42 A CA -1.020 51.045 52.037 0.046 0.000 0.764 42 A CB 0.183 19.191 19.000 0.013 0.000 1.002 42 A HN 0.260 nan 8.150 nan 0.000 0.502 43 P HA 0.070 nan 4.420 nan 0.000 0.226 43 P C 0.278 177.596 177.300 0.030 0.000 1.153 43 P CA 1.645 64.766 63.100 0.036 0.000 0.777 43 P CB 0.201 31.916 31.700 0.026 0.000 0.794 44 A N -1.502 121.334 122.820 0.027 0.000 2.346 44 A HA 0.728 5.048 4.320 -0.000 0.000 0.313 44 A C -0.309 177.291 177.584 0.026 0.000 1.140 44 A CA -0.363 51.689 52.037 0.024 0.000 0.826 44 A CB 1.154 20.166 19.000 0.021 0.000 1.332 44 A HN -0.123 nan 8.150 nan 0.000 0.457 45 S N -0.373 115.343 115.700 0.027 0.000 2.536 45 S HA 0.623 5.093 4.470 -0.000 0.000 0.287 45 S C -0.700 173.922 174.600 0.036 0.000 1.101 45 S CA -0.589 57.629 58.200 0.030 0.000 0.950 45 S CB 1.445 64.662 63.200 0.028 0.000 1.056 45 S HN 0.565 nan 8.310 nan 0.000 0.481 46 R N 2.209 122.737 120.500 0.047 0.000 2.409 46 R HA 0.498 4.838 4.340 -0.000 0.000 0.313 46 R C -1.303 175.035 176.300 0.063 0.000 0.953 46 R CA -0.571 55.563 56.100 0.057 0.000 0.849 46 R CB 0.988 31.334 30.300 0.076 0.000 1.171 46 R HN 0.426 nan 8.270 nan 0.000 0.458 47 I N 2.196 122.797 120.570 0.052 0.000 2.406 47 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 47 I C 0.525 176.674 176.117 0.054 0.000 0.999 47 I CA -0.687 60.645 61.300 0.054 0.000 1.124 47 I CB 1.551 39.571 38.000 0.034 0.000 1.289 47 I HN 0.652 nan 8.210 nan 0.000 0.441 48 G N 5.688 114.542 108.800 0.090 0.000 2.617 48 G HA2 0.625 4.585 3.960 -0.000 0.000 0.306 48 G HA3 0.625 4.585 3.960 -0.000 0.000 0.306 48 G C -1.801 173.147 174.900 0.081 0.000 1.360 48 G CA -0.469 44.655 45.100 0.041 0.000 0.983 48 G HN 0.408 nan 8.290 nan 0.000 0.496 49 L N 2.056 123.252 121.223 -0.045 0.000 2.294 49 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 49 L C -1.358 175.460 176.870 -0.086 0.000 1.015 49 L CA -0.784 54.057 54.840 0.002 0.000 0.831 49 L CB 0.427 42.450 42.059 -0.059 0.000 1.217 49 L HN 0.336 nan 8.230 nan 0.000 0.420 50 F N 5.819 125.749 119.950 -0.033 0.000 2.408 50 F HA 0.606 5.133 4.527 -0.000 0.000 0.344 50 F C 0.146 175.894 175.800 -0.087 0.000 1.112 50 F CA -0.359 57.620 58.000 -0.035 0.000 1.096 50 F CB 1.126 40.116 39.000 -0.017 0.000 1.129 50 F HN 0.226 nan 8.300 nan 0.000 0.486 51 I N 2.812 123.394 120.570 0.021 0.000 2.582 51 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 51 I C -0.526 175.567 176.117 -0.040 0.000 1.066 51 I CA -1.104 60.130 61.300 -0.111 0.000 1.053 51 I CB 2.222 39.955 38.000 -0.444 0.000 1.241 51 I HN 0.412 nan 8.210 nan 0.000 0.421 52 K N 4.827 125.196 120.400 -0.051 0.000 2.121 52 K HA 0.388 4.708 4.320 -0.000 0.000 0.235 52 K C 0.402 176.849 176.600 -0.255 0.000 1.200 52 K CA -0.034 56.225 56.287 -0.048 0.000 1.115 52 K CB 0.380 32.834 32.500 -0.078 0.000 1.474 52 K HN 0.755 nan 8.250 nan 0.000 0.295 53 A N 1.586 124.389 122.820 -0.028 0.000 2.635 53 A HA 0.230 4.550 4.320 -0.000 0.000 0.279 53 A C 0.932 178.719 177.584 0.339 0.000 1.122 53 A CA -0.311 51.741 52.037 0.026 0.000 0.965 53 A CB 0.456 19.610 19.000 0.257 0.000 1.221 53 A HN 0.585 nan 8.150 nan 0.000 0.566 54 G N 0.176 109.198 108.800 0.371 0.000 2.680 54 G HA2 0.220 4.180 3.960 -0.000 0.000 0.274 54 G HA3 0.220 4.180 3.960 -0.000 0.000 0.274 54 G C 1.276 176.269 174.900 0.155 0.000 1.292 54 G CA 0.494 45.718 45.100 0.207 0.000 1.007 54 G HN 0.847 nan 8.290 nan 0.000 0.578 55 S N -0.740 114.941 115.700 -0.033 0.000 2.423 55 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 55 S C 2.075 176.593 174.600 -0.138 0.000 1.014 55 S CA 1.204 59.358 58.200 -0.076 0.000 0.965 55 S CB -0.282 62.828 63.200 -0.151 0.000 0.785 55 S HN 0.824 nan 8.310 nan 0.000 0.495 56 R N 0.300 120.618 120.500 -0.304 0.000 2.249 56 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 56 R C 1.123 177.133 176.300 -0.484 0.000 1.121 56 R CA 1.381 57.210 56.100 -0.452 0.000 0.997 56 R CB -0.842 29.075 30.300 -0.638 0.000 0.867 56 R HN 0.552 nan 8.270 nan 0.000 0.465 57 Y N 1.275 121.539 120.300 -0.060 0.000 2.511 57 Y HA 0.193 4.743 4.550 -0.000 0.000 0.279 57 Y C 0.388 176.317 175.900 0.048 0.000 1.157 57 Y CA -0.349 57.697 58.100 -0.090 0.000 1.300 57 Y CB 0.230 38.432 38.460 -0.430 0.000 1.052 57 Y HN 0.133 nan 8.280 nan 0.000 0.529 58 E N 1.463 121.791 120.200 0.212 0.000 2.374 58 E HA 0.142 4.492 4.350 -0.000 0.000 0.260 58 E C -0.430 176.245 176.600 0.124 0.000 1.101 58 E CA -0.397 56.142 56.400 0.231 0.000 0.907 58 E CB 0.550 30.316 29.700 0.110 0.000 1.014 58 E HN 0.344 nan 8.360 nan 0.000 0.427 59 N N -1.685 117.088 118.700 0.121 0.000 2.966 59 N HA 0.079 4.818 4.740 -0.000 0.000 0.314 59 N C 0.268 175.821 175.510 0.071 0.000 1.397 59 N CA -0.531 52.566 53.050 0.079 0.000 0.776 59 N CB 0.617 39.154 38.487 0.082 0.000 1.576 59 N HN 0.293 nan 8.380 nan 0.000 0.592 60 S N -1.252 114.486 115.700 0.062 0.000 2.493 60 S HA -0.114 4.356 4.470 -0.000 0.000 0.243 60 S C 0.527 175.179 174.600 0.088 0.000 0.991 60 S CA 0.675 58.919 58.200 0.073 0.000 0.957 60 S CB -0.706 62.528 63.200 0.057 0.000 0.756 60 S HN 0.578 nan 8.310 nan 0.000 0.521 61 N N 2.688 121.433 118.700 0.075 0.000 2.353 61 N HA 0.065 4.805 4.740 -0.000 0.000 0.185 61 N C 0.295 175.842 175.510 0.061 0.000 1.098 61 N CA 0.559 53.652 53.050 0.073 0.000 0.872 61 N CB 0.005 38.527 38.487 0.059 0.000 0.970 61 N HN 0.823 nan 8.380 nan 0.000 0.467 62 N N 0.162 118.896 118.700 0.057 0.000 2.466 62 N HA 0.059 4.799 4.740 -0.000 0.000 0.272 62 N C -0.652 174.851 175.510 -0.011 0.000 1.455 62 N CA -0.202 52.863 53.050 0.026 0.000 0.875 62 N CB -0.556 37.967 38.487 0.059 0.000 1.372 62 N HN -0.042 nan 8.380 nan 0.000 0.492 63 L N 0.339 121.554 121.223 -0.013 0.000 2.514 63 L HA 0.310 4.650 4.340 -0.000 0.000 0.280 63 L C 1.595 178.402 176.870 -0.105 0.000 1.223 63 L CA 1.210 56.025 54.840 -0.042 0.000 0.864 63 L CB 0.161 42.215 42.059 -0.009 0.000 1.118 63 L HN 0.497 nan 8.230 nan 0.000 0.494 64 G N 1.317 110.058 108.800 -0.098 0.000 2.205 64 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 64 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 64 G C 0.871 175.683 174.900 -0.146 0.000 0.980 64 G CA 0.575 45.624 45.100 -0.086 0.000 0.632 64 G HN 0.655 nan 8.290 nan 0.000 0.533 65 T N 1.364 115.783 114.554 -0.224 0.000 2.720 65 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 65 T C 2.678 177.094 174.700 -0.473 0.000 1.037 65 T CA 2.594 64.490 62.100 -0.341 0.000 1.144 65 T CB -0.373 68.275 68.868 -0.366 0.000 0.864 65 T HN 1.228 nan 8.240 nan 0.000 0.444 66 S N 0.131 115.487 115.700 -0.573 0.000 2.561 66 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 66 S C 1.615 176.118 174.600 -0.162 0.000 0.977 66 S CA 0.503 58.416 58.200 -0.478 0.000 0.926 66 S CB -0.553 62.404 63.200 -0.405 0.000 0.769 66 S HN 0.747 nan 8.310 nan 0.000 0.533 67 H N 0.303 119.224 119.070 -0.247 0.000 2.287 67 H HA 0.130 4.686 4.556 -0.000 0.000 0.309 67 H C 2.128 177.366 175.328 -0.149 0.000 1.059 67 H CA 0.833 56.769 56.048 -0.188 0.000 1.357 67 H CB -0.200 29.467 29.762 -0.159 0.000 1.409 67 H HN 0.322 nan 8.280 nan 0.000 0.515 68 L N 1.524 122.653 121.223 -0.155 0.000 2.021 68 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 68 L C 2.417 179.206 176.870 -0.134 0.000 1.074 68 L CA 1.363 56.074 54.840 -0.216 0.000 0.760 68 L CB -1.062 40.865 42.059 -0.220 0.000 0.889 68 L HN 0.433 nan 8.230 nan 0.000 0.433 69 L N -0.509 120.632 121.223 -0.136 0.000 1.990 69 L HA -0.308 4.032 4.340 -0.000 0.000 0.213 69 L C 2.805 179.706 176.870 0.051 0.000 1.072 69 L CA 2.215 57.035 54.840 -0.034 0.000 0.755 69 L CB -0.467 41.560 42.059 -0.053 0.000 0.889 69 L HN 0.424 nan 8.230 nan 0.000 0.432 70 R N -0.057 120.449 120.500 0.011 0.000 2.139 70 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 70 R C 1.989 178.272 176.300 -0.028 0.000 1.145 70 R CA 1.351 57.436 56.100 -0.025 0.000 0.976 70 R CB -0.143 30.142 30.300 -0.024 0.000 0.866 70 R HN 0.434 nan 8.270 nan 0.000 0.449 71 L N -0.391 120.819 121.223 -0.020 0.000 2.592 71 L HA 0.192 4.532 4.340 -0.000 0.000 0.227 71 L C 1.233 178.097 176.870 -0.010 0.000 1.127 71 L CA 0.247 55.067 54.840 -0.034 0.000 0.884 71 L CB 0.338 42.339 42.059 -0.098 0.000 1.065 71 L HN 0.199 nan 8.230 nan 0.000 0.457 72 A N -0.546 122.295 122.820 0.035 0.000 2.630 72 A HA 0.122 4.442 4.320 -0.000 0.000 0.290 72 A C 1.823 179.466 177.584 0.099 0.000 1.267 72 A CA 0.307 52.386 52.037 0.071 0.000 0.950 72 A CB -0.162 18.919 19.000 0.134 0.000 1.144 72 A HN 0.308 nan 8.150 nan 0.000 0.527 73 S N 0.010 115.763 115.700 0.088 0.000 2.537 73 S HA -0.092 4.378 4.470 -0.000 0.000 0.240 73 S C 1.305 175.943 174.600 0.063 0.000 0.981 73 S CA 1.357 59.640 58.200 0.138 0.000 0.948 73 S CB -0.433 62.829 63.200 0.103 0.000 0.759 73 S HN 1.068 nan 8.310 nan 0.000 0.531 74 S N 0.253 115.962 115.700 0.015 0.000 2.754 74 S HA 0.457 4.927 4.470 -0.000 0.000 0.247 74 S C 0.204 174.792 174.600 -0.020 0.000 1.031 74 S CA -0.865 57.321 58.200 -0.024 0.000 1.014 74 S CB -0.354 62.810 63.200 -0.059 0.000 0.918 74 S HN 0.415 nan 8.310 nan 0.000 0.519 75 L N 2.482 123.695 121.223 -0.016 0.000 2.476 75 L HA 0.349 4.689 4.340 -0.000 0.000 0.255 75 L C 1.221 178.057 176.870 -0.056 0.000 1.218 75 L CA -0.439 54.383 54.840 -0.030 0.000 0.819 75 L CB 0.174 42.211 42.059 -0.036 0.000 1.119 75 L HN 0.407 nan 8.230 nan 0.000 0.485 76 T N -1.559 112.967 114.554 -0.047 0.000 2.940 76 T HA 0.255 4.605 4.350 -0.000 0.000 0.309 76 T C 0.159 174.803 174.700 -0.093 0.000 1.056 76 T CA -0.525 61.556 62.100 -0.033 0.000 1.137 76 T CB 0.786 69.665 68.868 0.018 0.000 0.976 76 T HN 0.806 nan 8.240 nan 0.000 0.547 77 T N 0.211 114.733 114.554 -0.054 0.000 2.841 77 T HA 0.576 4.926 4.350 -0.000 0.000 0.276 77 T C -0.546 174.132 174.700 -0.036 0.000 1.003 77 T CA -1.300 60.753 62.100 -0.079 0.000 0.995 77 T CB 0.871 69.706 68.868 -0.056 0.000 1.260 77 T HN 0.681 nan 8.240 nan 0.000 0.581 78 K N 0.390 120.768 120.400 -0.036 0.000 2.258 78 K HA 0.531 4.851 4.320 -0.000 0.000 0.284 78 K C 1.062 177.659 176.600 -0.005 0.000 1.051 78 K CA 0.134 56.413 56.287 -0.013 0.000 0.923 78 K CB 0.847 33.339 32.500 -0.013 0.000 1.046 78 K HN 1.068 nan 8.250 nan 0.000 0.474 79 G N 1.356 110.160 108.800 0.007 0.000 2.176 79 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 79 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 79 G C -0.077 174.833 174.900 0.016 0.000 0.979 79 G CA -0.031 45.070 45.100 0.000 0.000 0.641 79 G HN 0.893 nan 8.290 nan 0.000 0.530 80 A N -0.251 122.598 122.820 0.049 0.000 2.522 80 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 80 A C 0.109 177.756 177.584 0.105 0.000 1.047 80 A CA 0.880 52.987 52.037 0.118 0.000 0.935 80 A CB 0.268 19.395 19.000 0.211 0.000 1.451 80 A HN 1.964 nan 8.150 nan 0.000 0.398 81 S N 1.478 117.250 115.700 0.120 0.000 2.600 81 S HA 0.437 4.907 4.470 -0.000 0.000 0.265 81 S C 1.478 176.145 174.600 0.112 0.000 1.325 81 S CA 0.493 58.762 58.200 0.115 0.000 1.002 81 S CB 1.389 64.676 63.200 0.144 0.000 0.921 81 S HN 1.534 nan 8.310 nan 0.000 0.554 82 S N 0.897 116.655 115.700 0.098 0.000 2.359 82 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 82 S C 1.512 176.160 174.600 0.079 0.000 1.038 82 S CA 1.820 60.060 58.200 0.068 0.000 1.051 82 S CB -1.066 62.183 63.200 0.082 0.000 0.944 82 S HN 0.747 nan 8.310 nan 0.000 0.433 83 F N 2.250 122.203 119.950 0.005 0.000 2.115 83 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 83 F C 2.330 178.127 175.800 -0.004 0.000 1.092 83 F CA 2.433 60.434 58.000 0.001 0.000 1.245 83 F CB -0.417 38.593 39.000 0.017 0.000 0.995 83 F HN 0.236 nan 8.300 nan 0.000 0.481 84 K N 0.484 120.958 120.400 0.124 0.000 2.097 84 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 84 K C 2.136 178.675 176.600 -0.101 0.000 1.050 84 K CA 1.763 58.084 56.287 0.055 0.000 0.938 84 K CB -0.280 32.355 32.500 0.226 0.000 0.718 84 K HN 0.407 nan 8.250 nan 0.000 0.442 85 I N 0.728 121.191 120.570 -0.179 0.000 2.179 85 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 85 I C 2.165 177.930 176.117 -0.587 0.000 1.088 85 I CA 1.499 62.446 61.300 -0.589 0.000 1.357 85 I CB -0.572 37.232 38.000 -0.327 0.000 1.051 85 I HN 0.251 nan 8.210 nan 0.000 0.409 86 T N 0.613 114.954 114.554 -0.355 0.000 2.643 86 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 86 T C 2.063 176.563 174.700 -0.334 0.000 1.045 86 T CA 1.122 63.038 62.100 -0.307 0.000 1.155 86 T CB -0.181 68.544 68.868 -0.238 0.000 0.863 86 T HN 0.170 nan 8.240 nan 0.000 0.420 87 R N 0.881 121.117 120.500 -0.440 0.000 2.096 87 R HA 0.029 4.369 4.340 -0.000 0.000 0.235 87 R C 2.759 178.931 176.300 -0.214 0.000 1.127 87 R CA 1.405 57.271 56.100 -0.391 0.000 0.968 87 R CB -1.460 28.457 30.300 -0.640 0.000 0.861 87 R HN 0.526 nan 8.270 nan 0.000 0.440 88 G N 1.083 109.781 108.800 -0.171 0.000 2.421 88 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 88 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 88 G C 1.647 176.558 174.900 0.019 0.000 1.171 88 G CA 0.528 45.658 45.100 0.050 0.000 0.775 88 G HN 0.234 nan 8.290 nan 0.000 0.543 89 I N 0.641 121.087 120.570 -0.207 0.000 2.179 89 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 89 I C 2.703 178.769 176.117 -0.083 0.000 1.088 89 I CA 1.263 62.477 61.300 -0.144 0.000 1.357 89 I CB -0.297 37.538 38.000 -0.276 0.000 1.051 89 I HN 0.270 nan 8.210 nan 0.000 0.409 90 E N 1.040 121.172 120.200 -0.113 0.000 2.268 90 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 90 E C 2.255 178.825 176.600 -0.049 0.000 0.995 90 E CA 0.929 57.282 56.400 -0.079 0.000 0.836 90 E CB -0.126 29.518 29.700 -0.093 0.000 0.763 90 E HN 0.496 nan 8.360 nan 0.000 0.491 91 A N 1.365 124.159 122.820 -0.043 0.000 1.972 91 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 91 A C 2.366 179.950 177.584 -0.000 0.000 1.169 91 A CA 1.526 53.553 52.037 -0.017 0.000 0.635 91 A CB -0.389 18.609 19.000 -0.003 0.000 0.810 91 A HN 0.247 nan 8.150 nan 0.000 0.446 92 V N -4.307 115.612 119.914 0.008 0.000 3.621 92 V HA 0.551 4.671 4.120 -0.000 0.000 0.285 92 V C 1.130 177.228 176.094 0.007 0.000 1.346 92 V CA 0.539 62.849 62.300 0.015 0.000 1.104 92 V CB -0.800 31.043 31.823 0.033 0.000 0.913 92 V HN 1.492 nan 8.190 nan 0.000 0.432 93 G N 0.125 108.921 108.800 -0.006 0.000 2.246 93 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.273 93 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.273 93 G C 0.505 175.399 174.900 -0.009 0.000 1.055 93 G CA 0.272 45.365 45.100 -0.011 0.000 0.851 93 G HN 1.373 nan 8.290 nan 0.000 0.500 94 G N -0.964 107.830 108.800 -0.011 0.000 2.557 94 G HA2 0.665 4.625 3.960 -0.000 0.000 0.292 94 G HA3 0.665 4.625 3.960 -0.000 0.000 0.292 94 G C -0.119 174.766 174.900 -0.025 0.000 1.237 94 G CA -0.605 44.491 45.100 -0.007 0.000 0.978 94 G HN 0.486 nan 8.290 nan 0.000 0.498 95 K N -0.889 119.499 120.400 -0.020 0.000 2.422 95 K HA 0.528 4.848 4.320 -0.000 0.000 0.251 95 K C -1.667 174.914 176.600 -0.031 0.000 0.933 95 K CA -0.741 55.528 56.287 -0.031 0.000 0.798 95 K CB 2.633 35.120 32.500 -0.022 0.000 1.238 95 K HN 0.258 nan 8.250 nan 0.000 0.428 96 L N 1.697 122.892 121.223 -0.047 0.000 2.372 96 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 96 L C -1.381 175.461 176.870 -0.047 0.000 0.989 96 L CA 0.081 54.899 54.840 -0.036 0.000 0.841 96 L CB 1.604 43.634 42.059 -0.049 0.000 1.225 96 L HN 0.735 nan 8.230 nan 0.000 0.414 97 S N 3.607 119.273 115.700 -0.057 0.000 2.548 97 S HA 0.814 5.284 4.470 -0.000 0.000 0.286 97 S C -0.839 173.655 174.600 -0.178 0.000 1.098 97 S CA -0.755 57.388 58.200 -0.096 0.000 0.930 97 S CB 1.896 65.049 63.200 -0.078 0.000 1.070 97 S HN 0.825 nan 8.310 nan 0.000 0.480 98 V N 1.086 120.851 119.914 -0.248 0.000 2.487 98 V HA 0.863 4.983 4.120 -0.000 0.000 0.298 98 V C -0.472 175.449 176.094 -0.288 0.000 1.028 98 V CA 0.065 62.106 62.300 -0.432 0.000 0.860 98 V CB 1.247 32.596 31.823 -0.789 0.000 0.991 98 V HN 1.180 nan 8.190 nan 0.000 0.427 99 T N 4.351 118.740 114.554 -0.275 0.000 2.824 99 T HA 0.742 5.092 4.350 -0.000 0.000 0.282 99 T C -0.359 174.250 174.700 -0.152 0.000 0.993 99 T CA -0.227 61.768 62.100 -0.174 0.000 0.967 99 T CB 1.532 70.329 68.868 -0.118 0.000 0.960 99 T HN 0.929 nan 8.240 nan 0.000 0.441 100 S N 2.320 117.946 115.700 -0.124 0.000 2.600 100 S HA 0.916 5.386 4.470 -0.000 0.000 0.300 100 S C -0.278 174.276 174.600 -0.078 0.000 1.087 100 S CA -0.813 57.327 58.200 -0.099 0.000 0.965 100 S CB 1.912 65.032 63.200 -0.132 0.000 1.089 100 S HN 1.136 nan 8.310 nan 0.000 0.496 101 T N -1.639 112.888 114.554 -0.046 0.000 2.816 101 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 101 T C 0.384 175.043 174.700 -0.068 0.000 1.230 101 T CA -1.052 61.029 62.100 -0.032 0.000 1.007 101 T CB 1.143 70.040 68.868 0.047 0.000 1.289 101 T HN 0.405 nan 8.240 nan 0.000 0.508 102 R N 0.229 120.655 120.500 -0.124 0.000 2.303 102 R HA -0.039 4.301 4.340 -0.000 0.000 0.225 102 R C 1.495 177.682 176.300 -0.189 0.000 1.114 102 R CA 1.503 57.461 56.100 -0.236 0.000 1.007 102 R CB -0.068 29.959 30.300 -0.455 0.000 0.861 102 R HN 0.702 nan 8.270 nan 0.000 0.471 103 E N -0.600 119.572 120.200 -0.047 0.000 2.332 103 E HA 0.085 4.435 4.350 -0.000 0.000 0.202 103 E C 0.041 176.751 176.600 0.183 0.000 0.877 103 E CA 0.218 56.651 56.400 0.055 0.000 0.979 103 E CB 0.443 30.196 29.700 0.088 0.000 0.969 103 E HN 0.372 nan 8.360 nan 0.000 0.495 104 N N 0.461 119.238 118.700 0.129 0.000 2.328 104 N HA 0.473 5.212 4.740 -0.000 0.000 0.299 104 N C -0.845 174.712 175.510 0.079 0.000 1.179 104 N CA -0.484 52.647 53.050 0.134 0.000 0.793 104 N CB 2.037 40.629 38.487 0.175 0.000 1.366 104 N HN -0.176 nan 8.380 nan 0.000 0.493 105 M N 1.159 120.788 119.600 0.050 0.000 2.456 105 M HA 0.615 5.095 4.480 -0.000 0.000 0.324 105 M C -1.198 175.048 176.300 -0.089 0.000 1.124 105 M CA -0.767 54.524 55.300 -0.015 0.000 0.959 105 M CB 2.129 34.774 32.600 0.076 0.000 1.692 105 M HN 0.644 nan 8.290 nan 0.000 0.444 106 A N 2.877 125.556 122.820 -0.235 0.000 2.569 106 A HA 0.605 4.925 4.320 -0.000 0.000 0.282 106 A C -1.838 175.503 177.584 -0.404 0.000 1.165 106 A CA -0.506 51.240 52.037 -0.485 0.000 0.747 106 A CB 0.381 18.947 19.000 -0.723 0.000 1.215 106 A HN 0.723 nan 8.150 nan 0.000 0.431 107 Y N 2.091 122.180 120.300 -0.352 0.000 2.452 107 Y HA 0.414 4.964 4.550 -0.000 0.000 0.348 107 Y C 1.339 177.102 175.900 -0.227 0.000 0.985 107 Y CA 0.317 58.290 58.100 -0.211 0.000 1.214 107 Y CB 0.990 39.376 38.460 -0.123 0.000 1.136 107 Y HN 0.640 nan 8.280 nan 0.000 0.523 108 T N 0.138 114.640 114.554 -0.088 0.000 2.888 108 T HA 0.787 5.137 4.350 -0.000 0.000 0.284 108 T C -0.861 173.835 174.700 -0.007 0.000 1.017 108 T CA -0.898 61.166 62.100 -0.060 0.000 1.022 108 T CB 1.901 70.721 68.868 -0.079 0.000 1.013 108 T HN 0.344 nan 8.240 nan 0.000 0.465 109 V N 2.037 121.959 119.914 0.013 0.000 2.760 109 V HA 0.698 4.818 4.120 -0.000 0.000 0.309 109 V C -0.925 175.183 176.094 0.025 0.000 1.077 109 V CA -0.693 61.621 62.300 0.023 0.000 0.910 109 V CB 1.762 33.610 31.823 0.043 0.000 1.008 109 V HN 1.168 nan 8.190 nan 0.000 0.424 110 E N 5.679 125.891 120.200 0.020 0.000 2.340 110 E HA 0.825 5.175 4.350 -0.000 0.000 0.273 110 E C -1.188 175.425 176.600 0.021 0.000 0.891 110 E CA -0.554 55.860 56.400 0.022 0.000 0.757 110 E CB 2.381 32.093 29.700 0.019 0.000 1.231 110 E HN 0.994 nan 8.360 nan 0.000 0.439 111 C N 0.203 119.517 119.300 0.024 0.000 3.165 111 C HA 0.464 4.924 4.460 -0.000 0.000 0.345 111 C C -0.680 174.324 174.990 0.023 0.000 1.367 111 C CA -1.200 57.832 59.018 0.023 0.000 1.205 111 C CB -0.506 27.253 27.740 0.031 0.000 1.447 111 C HN 0.875 nan 8.230 nan 0.000 0.451 112 L N 1.768 123.004 121.223 0.021 0.000 2.467 112 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 112 L C 2.123 179.008 176.870 0.024 0.000 1.205 112 L CA -0.150 54.703 54.840 0.022 0.000 0.828 112 L CB 0.331 42.401 42.059 0.019 0.000 1.101 112 L HN 1.026 nan 8.230 nan 0.000 0.479 113 R N -0.342 120.174 120.500 0.027 0.000 2.193 113 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 113 R C 0.536 176.851 176.300 0.025 0.000 1.110 113 R CA 1.263 57.380 56.100 0.029 0.000 0.988 113 R CB -0.355 29.967 30.300 0.037 0.000 0.871 113 R HN 0.560 nan 8.270 nan 0.000 0.458 114 D N 0.918 121.331 120.400 0.022 0.000 2.371 114 D HA -0.058 4.582 4.640 -0.000 0.000 0.221 114 D C 0.270 176.578 176.300 0.014 0.000 0.986 114 D CA 0.838 54.848 54.000 0.018 0.000 0.899 114 D CB 0.062 40.872 40.800 0.016 0.000 0.902 114 D HN 0.384 nan 8.370 nan 0.000 0.530 115 D N -0.070 120.340 120.400 0.017 0.000 2.479 115 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 115 D C 2.057 178.366 176.300 0.016 0.000 1.177 115 D CA 0.064 54.073 54.000 0.016 0.000 0.830 115 D CB 1.254 42.070 40.800 0.026 0.000 1.014 115 D HN 0.080 nan 8.370 nan 0.000 0.503 116 V N -0.546 119.375 119.914 0.012 0.000 2.594 116 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 116 V C 1.507 177.595 176.094 -0.011 0.000 1.069 116 V CA 1.689 63.994 62.300 0.010 0.000 1.082 116 V CB -0.157 31.672 31.823 0.011 0.000 0.680 116 V HN -0.095 nan 8.190 nan 0.000 0.469 117 D N 0.391 120.776 120.400 -0.025 0.000 2.144 117 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 117 D C 1.957 178.195 176.300 -0.105 0.000 0.978 117 D CA 1.867 55.832 54.000 -0.057 0.000 0.833 117 D CB -0.096 40.674 40.800 -0.050 0.000 0.961 117 D HN 0.618 nan 8.370 nan 0.000 0.470 118 I N 0.494 121.008 120.570 -0.093 0.000 2.439 118 I HA -0.115 4.055 4.170 -0.000 0.000 0.251 118 I C 2.030 178.070 176.117 -0.129 0.000 1.139 118 I CA 0.883 62.075 61.300 -0.180 0.000 1.438 118 I CB -0.063 37.868 38.000 -0.115 0.000 1.085 118 I HN -0.102 nan 8.210 nan 0.000 0.427 119 L N -0.736 120.516 121.223 0.047 0.000 2.179 119 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 119 L C 2.425 179.343 176.870 0.080 0.000 1.096 119 L CA 1.116 56.053 54.840 0.163 0.000 0.779 119 L CB -0.447 41.682 42.059 0.117 0.000 0.922 119 L HN 0.342 nan 8.230 nan 0.000 0.443 120 M N 0.150 119.743 119.600 -0.012 0.000 2.132 120 M HA -0.232 4.248 4.480 -0.000 0.000 0.263 120 M C 2.110 178.340 176.300 -0.117 0.000 1.065 120 M CA 1.825 57.094 55.300 -0.051 0.000 1.122 120 M CB -0.300 32.258 32.600 -0.070 0.000 1.365 120 M HN 0.205 nan 8.290 nan 0.000 0.411 121 E N -0.671 119.410 120.200 -0.199 0.000 2.077 121 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 121 E C 1.892 178.371 176.600 -0.201 0.000 0.989 121 E CA 1.654 57.871 56.400 -0.305 0.000 0.800 121 E CB -0.417 29.034 29.700 -0.415 0.000 0.746 121 E HN 0.655 nan 8.360 nan 0.000 0.452 122 F N 0.919 120.807 119.950 -0.104 0.000 2.102 122 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 122 F C 2.516 178.270 175.800 -0.076 0.000 1.105 122 F CA 0.636 58.589 58.000 -0.079 0.000 1.239 122 F CB -0.147 38.821 39.000 -0.054 0.000 0.991 122 F HN 0.126 nan 8.300 nan 0.000 0.474 123 L N 0.347 121.647 121.223 0.129 0.000 1.990 123 L HA -0.288 4.051 4.340 -0.000 0.000 0.213 123 L C 2.317 179.166 176.870 -0.034 0.000 1.072 123 L CA 1.774 56.639 54.840 0.041 0.000 0.755 123 L CB -0.587 41.484 42.059 0.020 0.000 0.889 123 L HN 0.239 nan 8.230 nan 0.000 0.432 124 L N -0.322 120.853 121.223 -0.079 0.000 2.079 124 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 124 L C 2.413 179.231 176.870 -0.088 0.000 1.081 124 L CA 1.236 56.006 54.840 -0.116 0.000 0.752 124 L CB -0.649 41.258 42.059 -0.252 0.000 0.896 124 L HN 0.406 nan 8.230 nan 0.000 0.433 125 N N -0.364 118.292 118.700 -0.073 0.000 2.142 125 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 125 N C 1.846 177.326 175.510 -0.050 0.000 1.023 125 N CA 1.358 54.380 53.050 -0.047 0.000 0.852 125 N CB -0.088 38.397 38.487 -0.003 0.000 0.998 125 N HN 0.133 nan 8.380 nan 0.000 0.424 126 V N 1.125 121.020 119.914 -0.031 0.000 2.427 126 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 126 V C 2.401 178.434 176.094 -0.102 0.000 1.051 126 V CA 2.148 64.422 62.300 -0.043 0.000 1.048 126 V CB -0.946 30.896 31.823 0.031 0.000 0.666 126 V HN 0.512 nan 8.190 nan 0.000 0.456 127 T N -2.754 111.714 114.554 -0.142 0.000 3.051 127 T HA -0.052 4.298 4.350 -0.000 0.000 0.255 127 T C 1.564 176.293 174.700 0.048 0.000 1.085 127 T CA 1.247 63.286 62.100 -0.101 0.000 1.109 127 T CB -0.012 68.710 68.868 -0.243 0.000 0.921 127 T HN 0.596 nan 8.240 nan 0.000 0.488 128 T N -1.894 112.657 114.554 -0.005 0.000 2.958 128 T HA 0.601 4.951 4.350 -0.000 0.000 0.256 128 T C 1.115 175.811 174.700 -0.007 0.000 0.983 128 T CA 0.184 62.298 62.100 0.024 0.000 0.924 128 T CB 0.162 69.060 68.868 0.050 0.000 1.136 128 T HN 0.396 nan 8.240 nan 0.000 0.506 129 A N 2.258 125.050 122.820 -0.047 0.000 2.956 129 A HA 0.673 4.993 4.320 -0.000 0.000 0.294 129 A C -3.032 174.466 177.584 -0.143 0.000 0.993 129 A CA -1.265 50.735 52.037 -0.063 0.000 1.032 129 A CB 0.205 19.183 19.000 -0.038 0.000 1.129 129 A HN 0.321 nan 8.150 nan 0.000 0.505 130 P HA 0.222 nan 4.420 nan 0.000 0.276 130 P C 0.355 177.325 177.300 -0.552 0.000 1.230 130 P CA 0.141 62.902 63.100 -0.565 0.000 0.776 130 P CB 0.963 32.010 31.700 -1.088 0.000 0.888 131 E N 1.961 121.893 120.200 -0.446 0.000 2.400 131 E HA 0.066 4.415 4.350 -0.000 0.000 0.195 131 E C -0.127 176.389 176.600 -0.139 0.000 1.012 131 E CA -0.014 56.273 56.400 -0.188 0.000 0.875 131 E CB -0.311 29.323 29.700 -0.110 0.000 0.859 131 E HN 0.430 nan 8.360 nan 0.000 0.498 132 F N 1.982 121.826 119.950 -0.176 0.000 2.694 132 F HA -0.266 4.261 4.527 -0.000 0.000 0.215 132 F C 0.092 175.741 175.800 -0.250 0.000 1.032 132 F CA 0.026 57.859 58.000 -0.278 0.000 0.871 132 F CB -1.478 37.206 39.000 -0.527 0.000 0.776 132 F HN -0.062 nan 8.300 nan 0.000 0.850 133 R N 1.481 121.834 120.500 -0.245 0.000 2.370 133 R HA 0.181 4.521 4.340 -0.000 0.000 0.309 133 R C 1.485 177.391 176.300 -0.655 0.000 1.059 133 R CA -0.524 55.213 56.100 -0.605 0.000 0.981 133 R CB 0.435 30.099 30.300 -1.060 0.000 0.972 133 R HN 0.441 nan 8.270 nan 0.000 0.437 134 R N 1.999 122.207 120.500 -0.487 0.000 2.224 134 R HA -0.279 4.061 4.340 -0.000 0.000 0.251 134 R C 1.787 178.006 176.300 -0.136 0.000 1.123 134 R CA 2.922 58.891 56.100 -0.218 0.000 0.944 134 R CB -0.321 29.960 30.300 -0.031 0.000 0.910 134 R HN 0.804 nan 8.270 nan 0.000 0.440 135 W N 0.158 121.477 121.300 0.031 0.000 2.467 135 W HA 0.039 4.699 4.660 -0.000 0.000 0.275 135 W C 1.227 177.758 176.519 0.020 0.000 1.239 135 W CA 0.475 57.832 57.345 0.020 0.000 1.266 135 W CB -0.318 29.152 29.460 0.016 0.000 1.112 135 W HN 0.066 nan 8.180 nan 0.000 0.576 136 E N 0.946 121.018 120.200 -0.214 0.000 2.112 136 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 136 E C 2.268 178.848 176.600 -0.033 0.000 0.979 136 E CA 1.241 57.616 56.400 -0.041 0.000 0.814 136 E CB -0.230 29.406 29.700 -0.106 0.000 0.762 136 E HN 0.195 nan 8.360 nan 0.000 0.460 137 V N 1.691 121.556 119.914 -0.081 0.000 2.307 137 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 137 V C 2.414 178.488 176.094 -0.033 0.000 1.045 137 V CA 1.864 64.131 62.300 -0.054 0.000 1.024 137 V CB -0.698 31.078 31.823 -0.077 0.000 0.651 137 V HN 0.286 nan 8.190 nan 0.000 0.449 138 A N 0.208 123.023 122.820 -0.008 0.000 1.892 138 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 138 A C 2.393 179.990 177.584 0.021 0.000 1.188 138 A CA 2.351 54.397 52.037 0.015 0.000 0.631 138 A CB -0.913 18.119 19.000 0.053 0.000 0.822 138 A HN 0.622 nan 8.150 nan 0.000 0.447 139 A N -1.242 121.606 122.820 0.046 0.000 2.070 139 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 139 A C 2.050 179.642 177.584 0.014 0.000 1.159 139 A CA 1.677 53.740 52.037 0.044 0.000 0.656 139 A CB -0.391 18.655 19.000 0.076 0.000 0.800 139 A HN 0.726 nan 8.150 nan 0.000 0.453 140 L N -1.029 120.191 121.223 -0.005 0.000 2.354 140 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 140 L C 2.255 179.092 176.870 -0.056 0.000 1.091 140 L CA 1.066 55.889 54.840 -0.028 0.000 0.828 140 L CB -0.407 41.633 42.059 -0.032 0.000 0.973 140 L HN 0.352 nan 8.230 nan 0.000 0.461 141 Q N 0.660 120.424 119.800 -0.058 0.000 2.082 141 Q HA -0.221 4.119 4.340 -0.000 0.000 0.211 141 Q C -0.293 175.662 176.000 -0.074 0.000 1.002 141 Q CA 2.390 58.146 55.803 -0.079 0.000 0.868 141 Q CB -2.142 26.557 28.738 -0.064 0.000 0.931 141 Q HN 0.429 nan 8.270 nan 0.000 0.414 142 P HA -0.171 nan 4.420 nan 0.000 0.222 142 P C 1.207 178.480 177.300 -0.046 0.000 1.142 142 P CA 1.362 64.439 63.100 -0.037 0.000 0.788 142 P CB -0.103 31.585 31.700 -0.019 0.000 0.767 143 Q N -0.497 119.267 119.800 -0.060 0.000 2.230 143 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 143 Q C 1.848 177.791 176.000 -0.094 0.000 0.963 143 Q CA 1.134 56.899 55.803 -0.062 0.000 0.866 143 Q CB -1.086 27.616 28.738 -0.060 0.000 0.931 143 Q HN 0.199 nan 8.270 nan 0.000 0.452 144 L N -0.278 120.851 121.223 -0.157 0.000 2.012 144 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 144 L C 2.622 179.466 176.870 -0.045 0.000 1.073 144 L CA 1.842 56.545 54.840 -0.229 0.000 0.748 144 L CB -0.455 41.450 42.059 -0.256 0.000 0.891 144 L HN 0.212 nan 8.230 nan 0.000 0.431 145 R N 0.554 121.031 120.500 -0.037 0.000 2.092 145 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 145 R C 2.279 178.576 176.300 -0.006 0.000 1.119 145 R CA 1.334 57.427 56.100 -0.011 0.000 0.970 145 R CB -0.137 30.153 30.300 -0.017 0.000 0.864 145 R HN 0.307 nan 8.270 nan 0.000 0.440 146 I N 0.568 121.133 120.570 -0.009 0.000 2.202 146 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 146 I C 1.963 178.085 176.117 0.009 0.000 1.091 146 I CA 1.626 62.924 61.300 -0.004 0.000 1.368 146 I CB -0.585 37.412 38.000 -0.005 0.000 1.058 146 I HN 0.274 nan 8.210 nan 0.000 0.410 147 D N 1.179 121.602 120.400 0.038 0.000 2.104 147 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 147 D C 2.224 178.583 176.300 0.098 0.000 0.994 147 D CA 1.545 55.610 54.000 0.108 0.000 0.830 147 D CB 0.023 40.938 40.800 0.193 0.000 0.959 147 D HN 0.094 nan 8.370 nan 0.000 0.452 148 K N -0.290 120.173 120.400 0.106 0.000 2.026 148 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 148 K C 2.059 178.541 176.600 -0.196 0.000 1.048 148 K CA 1.206 57.428 56.287 -0.107 0.000 0.929 148 K CB -0.222 32.279 32.500 0.002 0.000 0.713 148 K HN 0.139 nan 8.250 nan 0.000 0.439 149 A N 0.687 123.453 122.820 -0.090 0.000 1.908 149 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 149 A C 2.234 179.770 177.584 -0.079 0.000 1.181 149 A CA 1.772 53.763 52.037 -0.077 0.000 0.627 149 A CB -0.686 18.294 19.000 -0.033 0.000 0.818 149 A HN 0.192 nan 8.150 nan 0.000 0.445 150 V N -0.317 119.559 119.914 -0.063 0.000 2.343 150 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 150 V C 3.038 179.086 176.094 -0.076 0.000 1.051 150 V CA 1.929 64.201 62.300 -0.046 0.000 1.036 150 V CB -1.190 30.624 31.823 -0.016 0.000 0.654 150 V HN 0.631 nan 8.190 nan 0.000 0.451 151 A N -0.325 122.402 122.820 -0.155 0.000 1.873 151 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 151 A C 1.926 179.376 177.584 -0.224 0.000 1.186 151 A CA 1.496 53.400 52.037 -0.221 0.000 0.616 151 A CB -0.562 18.148 19.000 -0.484 0.000 0.823 151 A HN 0.423 nan 8.150 nan 0.000 0.442 152 L N 0.718 121.759 121.223 -0.303 0.000 2.633 152 L HA -0.104 4.236 4.340 -0.000 0.000 0.235 152 L C 2.406 179.305 176.870 0.048 0.000 1.163 152 L CA 1.568 56.265 54.840 -0.237 0.000 0.859 152 L CB -0.661 41.117 42.059 -0.467 0.000 0.973 152 L HN 0.748 nan 8.230 nan 0.000 0.451 153 Q N -1.677 118.121 119.800 -0.003 0.000 2.403 153 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 153 Q C -0.183 175.827 176.000 0.017 0.000 0.932 153 Q CA 0.224 56.042 55.803 0.026 0.000 0.945 153 Q CB 0.005 28.747 28.738 0.007 0.000 1.045 153 Q HN 0.412 nan 8.270 nan 0.000 0.511 154 N N 2.242 120.951 118.700 0.015 0.000 2.425 154 N HA 0.167 4.907 4.740 -0.000 0.000 0.268 154 N C -2.232 173.274 175.510 -0.006 0.000 0.991 154 N CA -1.571 51.479 53.050 -0.001 0.000 0.931 154 N CB 1.723 40.214 38.487 0.006 0.000 1.130 154 N HN -0.032 nan 8.380 nan 0.000 0.493 155 P HA -0.158 nan 4.420 nan 0.000 0.216 155 P C 1.041 178.253 177.300 -0.148 0.000 1.150 155 P CA 1.447 64.367 63.100 -0.300 0.000 0.843 155 P CB 0.459 31.653 31.700 -0.844 0.000 0.787 156 Q N -0.340 119.421 119.800 -0.065 0.000 2.112 156 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 156 Q C 2.281 178.365 176.000 0.140 0.000 0.987 156 Q CA 2.188 58.060 55.803 0.115 0.000 0.858 156 Q CB -1.289 27.461 28.738 0.020 0.000 0.905 156 Q HN 0.222 nan 8.270 nan 0.000 0.420 157 A N 0.500 123.383 122.820 0.106 0.000 1.877 157 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 157 A C 1.824 179.480 177.584 0.121 0.000 1.186 157 A CA 1.606 53.703 52.037 0.099 0.000 0.620 157 A CB -0.890 18.114 19.000 0.006 0.000 0.822 157 A HN 0.482 nan 8.150 nan 0.000 0.443 158 H N -0.793 118.272 119.070 -0.009 0.000 2.352 158 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 158 H C 2.275 177.622 175.328 0.031 0.000 1.097 158 H CA 1.563 57.610 56.048 -0.001 0.000 1.311 158 H CB -0.263 29.481 29.762 -0.029 0.000 1.377 158 H HN 0.319 nan 8.280 nan 0.000 0.504 159 V N 1.446 121.472 119.914 0.187 0.000 2.233 159 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 159 V C 2.619 178.783 176.094 0.117 0.000 1.050 159 V CA 1.893 64.264 62.300 0.118 0.000 1.010 159 V CB -0.526 31.380 31.823 0.138 0.000 0.637 159 V HN 0.288 nan 8.190 nan 0.000 0.444 160 I N -0.289 120.385 120.570 0.174 0.000 2.361 160 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 160 I C 2.559 178.854 176.117 0.297 0.000 1.133 160 I CA 1.206 62.631 61.300 0.207 0.000 1.413 160 I CB -0.408 37.759 38.000 0.278 0.000 1.073 160 I HN 0.357 nan 8.210 nan 0.000 0.424 161 E N 0.654 120.988 120.200 0.223 0.000 2.107 161 E HA -0.160 4.189 4.350 -0.000 0.000 0.191 161 E C 1.663 178.363 176.600 0.166 0.000 0.982 161 E CA 1.096 57.614 56.400 0.197 0.000 0.809 161 E CB -0.418 29.363 29.700 0.134 0.000 0.756 161 E HN 0.651 nan 8.360 nan 0.000 0.459 162 N N 0.777 119.551 118.700 0.123 0.000 2.270 162 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 162 N C 2.033 177.574 175.510 0.053 0.000 1.016 162 N CA 0.058 53.156 53.050 0.080 0.000 0.870 162 N CB 0.111 38.629 38.487 0.052 0.000 0.979 162 N HN 0.044 nan 8.380 nan 0.000 0.431 163 L N 0.642 121.883 121.223 0.028 0.000 2.017 163 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 163 L C 1.808 178.648 176.870 -0.050 0.000 1.073 163 L CA 1.843 56.638 54.840 -0.075 0.000 0.745 163 L CB -0.352 41.597 42.059 -0.184 0.000 0.894 163 L HN 0.311 nan 8.230 nan 0.000 0.432 164 H N -1.023 118.125 119.070 0.131 0.000 2.363 164 H HA -0.046 4.510 4.556 -0.000 0.000 0.301 164 H C 2.203 177.640 175.328 0.182 0.000 1.074 164 H CA 1.344 57.525 56.048 0.222 0.000 1.354 164 H CB -0.050 29.831 29.762 0.198 0.000 1.397 164 H HN 0.446 nan 8.280 nan 0.000 0.516 165 A N 0.679 123.633 122.820 0.223 0.000 2.019 165 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 165 A C 2.398 180.042 177.584 0.100 0.000 1.164 165 A CA 1.532 53.657 52.037 0.147 0.000 0.644 165 A CB -0.807 18.257 19.000 0.107 0.000 0.805 165 A HN 0.485 nan 8.150 nan 0.000 0.449 166 A N -0.628 122.219 122.820 0.044 0.000 1.975 166 A HA 0.388 4.708 4.320 -0.000 0.000 0.215 166 A C 2.381 179.886 177.584 -0.133 0.000 1.170 166 A CA 1.426 53.442 52.037 -0.034 0.000 0.656 166 A CB -0.681 18.276 19.000 -0.070 0.000 0.821 166 A HN 0.909 nan 8.150 nan 0.000 0.449 167 A N -1.641 121.082 122.820 -0.163 0.000 1.970 167 A HA 0.302 4.622 4.320 -0.000 0.000 0.216 167 A C 0.705 177.902 177.584 -0.646 0.000 1.170 167 A CA 0.625 52.372 52.037 -0.484 0.000 0.645 167 A CB -0.258 18.477 19.000 -0.441 0.000 0.816 167 A HN 0.483 nan 8.150 nan 0.000 0.447 168 Y N -1.556 118.715 120.300 -0.048 0.000 2.598 168 Y HA 0.509 5.059 4.550 -0.000 0.000 0.340 168 Y C 1.135 177.040 175.900 0.008 0.000 1.038 168 Y CA -1.002 57.093 58.100 -0.007 0.000 1.100 168 Y CB 1.512 40.001 38.460 0.049 0.000 1.281 168 Y HN 0.135 nan 8.280 nan 0.000 0.488 169 R N -0.194 120.397 120.500 0.153 0.000 2.397 169 R HA 0.306 4.646 4.340 -0.000 0.000 0.241 169 R C -0.192 176.130 176.300 0.036 0.000 0.914 169 R CA -0.048 56.064 56.100 0.021 0.000 1.071 169 R CB 0.320 30.536 30.300 -0.139 0.000 1.116 169 R HN 0.401 nan 8.270 nan 0.000 0.524 170 N N -0.275 118.472 118.700 0.080 0.000 2.697 170 N HA 0.323 5.063 4.740 -0.000 0.000 0.272 170 N C 0.464 175.951 175.510 -0.037 0.000 1.381 170 N CA 0.371 53.433 53.050 0.021 0.000 0.797 170 N CB 1.881 40.390 38.487 0.037 0.000 1.523 170 N HN -0.053 nan 8.380 nan 0.000 0.518 171 A N 0.978 123.744 122.820 -0.089 0.000 1.317 171 A HA -0.290 4.030 4.320 -0.000 0.000 0.377 171 A C 1.831 179.245 177.584 -0.284 0.000 4.993 171 A CA 2.654 54.576 52.037 -0.192 0.000 1.006 171 A CB -1.784 17.072 19.000 -0.240 0.000 0.619 171 A HN 0.649 nan 8.150 nan 0.000 0.524 172 L N -1.014 119.955 121.223 -0.424 0.000 2.456 172 L HA -0.037 4.303 4.340 -0.000 0.000 0.224 172 L C 2.767 179.473 176.870 -0.273 0.000 1.148 172 L CA 0.722 55.203 54.840 -0.597 0.000 0.825 172 L CB -0.402 40.941 42.059 -1.192 0.000 0.937 172 L HN 0.647 nan 8.230 nan 0.000 0.450 173 A N -0.550 122.227 122.820 -0.071 0.000 2.167 173 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 173 A C 0.832 178.434 177.584 0.029 0.000 1.151 173 A CA 0.070 52.166 52.037 0.097 0.000 0.735 173 A CB -0.564 18.518 19.000 0.137 0.000 0.802 173 A HN 0.450 nan 8.150 nan 0.000 0.467 174 N N 0.229 118.894 118.700 -0.058 0.000 2.453 174 N HA 0.263 5.003 4.740 -0.000 0.000 0.253 174 N C 0.020 175.483 175.510 -0.078 0.000 1.252 174 N CA 0.155 53.171 53.050 -0.058 0.000 0.917 174 N CB 0.514 38.945 38.487 -0.092 0.000 1.117 174 N HN 0.242 nan 8.380 nan 0.000 0.442 175 S N 1.037 116.707 115.700 -0.049 0.000 2.654 175 S HA 0.239 4.709 4.470 -0.000 0.000 0.283 175 S C 0.865 175.374 174.600 -0.151 0.000 1.180 175 S CA -0.753 57.415 58.200 -0.053 0.000 1.021 175 S CB 0.809 64.026 63.200 0.029 0.000 1.018 175 S HN 0.395 nan 8.310 nan 0.000 0.532 176 L N 2.313 123.391 121.223 -0.241 0.000 2.551 176 L HA 0.295 4.635 4.340 -0.000 0.000 0.228 176 L C -0.604 175.720 176.870 -0.910 0.000 1.153 176 L CA 1.120 55.624 54.840 -0.560 0.000 0.851 176 L CB -1.449 40.167 42.059 -0.737 0.000 0.959 176 L HN 0.621 nan 8.230 nan 0.000 0.451 177 Y N -2.930 117.189 120.300 -0.301 0.000 2.536 177 Y HA 0.320 4.870 4.550 -0.000 0.000 0.347 177 Y C 0.384 176.225 175.900 -0.098 0.000 1.000 177 Y CA -1.141 56.721 58.100 -0.397 0.000 1.051 177 Y CB 1.123 39.409 38.460 -0.290 0.000 1.259 177 Y HN -0.310 nan 8.280 nan 0.000 0.468 178 C N 4.947 124.437 119.300 0.316 0.000 2.648 178 C HA 0.259 4.719 4.460 -0.000 0.000 0.419 178 C C -2.095 172.929 174.990 0.057 0.000 1.352 178 C CA -1.464 57.645 59.018 0.151 0.000 1.816 178 C CB -0.597 27.229 27.740 0.143 0.000 2.598 178 C HN 0.482 nan 8.230 nan 0.000 0.598 179 P HA 0.077 nan 4.420 nan 0.000 0.267 179 P C 0.257 177.525 177.300 -0.054 0.000 1.200 179 P CA 0.419 63.517 63.100 -0.003 0.000 0.772 179 P CB 0.530 32.229 31.700 -0.002 0.000 0.855 180 D N 1.092 121.520 120.400 0.047 0.000 2.144 180 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 180 D C 1.664 177.986 176.300 0.037 0.000 0.984 180 D CA 1.661 55.684 54.000 0.039 0.000 0.834 180 D CB -0.903 39.938 40.800 0.068 0.000 0.955 180 D HN 0.612 nan 8.370 nan 0.000 0.465 181 Y N -0.041 120.265 120.300 0.010 0.000 2.483 181 Y HA 0.033 4.583 4.550 -0.000 0.000 0.291 181 Y C 1.701 177.603 175.900 0.003 0.000 1.143 181 Y CA 0.759 58.863 58.100 0.006 0.000 1.289 181 Y CB -0.049 38.415 38.460 0.007 0.000 0.983 181 Y HN -0.208 nan 8.280 nan 0.000 0.556 182 R N 0.996 121.075 120.500 -0.702 0.000 2.254 182 R HA 0.246 4.586 4.340 -0.000 0.000 0.195 182 R C 0.341 176.492 176.300 -0.248 0.000 0.957 182 R CA -0.029 55.737 56.100 -0.557 0.000 1.024 182 R CB -0.079 29.851 30.300 -0.615 0.000 0.952 182 R HN 0.379 nan 8.270 nan 0.000 0.484 183 I N 1.244 121.715 120.570 -0.165 0.000 2.741 183 I HA -0.119 4.051 4.170 -0.000 0.000 0.288 183 I C 1.285 177.355 176.117 -0.078 0.000 1.192 183 I CA 1.225 62.463 61.300 -0.103 0.000 1.426 183 I CB 0.441 38.404 38.000 -0.062 0.000 1.367 183 I HN 0.467 nan 8.210 nan 0.000 0.563 184 G N 5.265 114.018 108.800 -0.079 0.000 2.225 184 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 184 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 184 G C 0.931 175.797 174.900 -0.056 0.000 0.988 184 G CA 0.196 45.263 45.100 -0.055 0.000 0.625 184 G HN 0.651 nan 8.290 nan 0.000 0.527 185 K N -0.135 120.218 120.400 -0.079 0.000 2.360 185 K HA 0.422 4.742 4.320 -0.000 0.000 0.196 185 K C 1.173 177.723 176.600 -0.083 0.000 1.049 185 K CA 0.496 56.743 56.287 -0.067 0.000 1.049 185 K CB 1.443 33.909 32.500 -0.056 0.000 0.881 185 K HN 0.582 nan 8.250 nan 0.000 0.542 186 V N 2.636 122.482 119.914 -0.114 0.000 2.655 186 V HA 0.082 4.202 4.120 -0.000 0.000 0.300 186 V C -0.022 176.001 176.094 -0.119 0.000 1.044 186 V CA -0.007 62.216 62.300 -0.128 0.000 1.095 186 V CB 0.816 32.540 31.823 -0.166 0.000 0.952 186 V HN 0.333 nan 8.190 nan 0.000 0.485 187 T N 4.782 119.268 114.554 -0.113 0.000 2.929 187 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 187 T C -1.527 173.079 174.700 -0.156 0.000 1.014 187 T CA -1.595 60.444 62.100 -0.101 0.000 1.051 187 T CB 1.546 70.382 68.868 -0.053 0.000 1.028 187 T HN 0.569 nan 8.240 nan 0.000 0.485 188 P HA -0.175 nan 4.420 nan 0.000 0.216 188 P C 1.807 179.042 177.300 -0.108 0.000 1.153 188 P CA 1.041 64.037 63.100 -0.174 0.000 0.858 188 P CB -0.212 31.469 31.700 -0.031 0.000 0.789 189 V N 0.479 120.404 119.914 0.018 0.000 2.407 189 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 189 V C 2.190 178.286 176.094 0.004 0.000 1.055 189 V CA 2.041 64.390 62.300 0.082 0.000 1.049 189 V CB -1.239 30.617 31.823 0.054 0.000 0.662 189 V HN 0.026 nan 8.190 nan 0.000 0.455 190 E N 0.011 120.169 120.200 -0.071 0.000 2.110 190 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 190 E C 2.176 178.676 176.600 -0.166 0.000 0.988 190 E CA 1.724 58.077 56.400 -0.078 0.000 0.804 190 E CB -0.235 29.413 29.700 -0.087 0.000 0.745 190 E HN 0.648 nan 8.360 nan 0.000 0.458 191 L N 0.306 121.277 121.223 -0.420 0.000 2.056 191 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 191 L C 2.497 178.976 176.870 -0.651 0.000 1.078 191 L CA 0.891 55.239 54.840 -0.820 0.000 0.749 191 L CB -0.493 40.523 42.059 -1.738 0.000 0.901 191 L HN 0.223 nan 8.230 nan 0.000 0.433 192 H N 0.237 119.114 119.070 -0.321 0.000 2.290 192 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 192 H C 1.877 177.194 175.328 -0.019 0.000 1.087 192 H CA 1.836 57.891 56.048 0.013 0.000 1.291 192 H CB -0.196 29.607 29.762 0.069 0.000 1.369 192 H HN 0.343 nan 8.280 nan 0.000 0.492 193 D N -0.095 120.357 120.400 0.086 0.000 2.144 193 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 193 D C 2.117 178.428 176.300 0.019 0.000 0.984 193 D CA 0.726 54.748 54.000 0.037 0.000 0.834 193 D CB -0.654 40.165 40.800 0.032 0.000 0.955 193 D HN 0.372 nan 8.370 nan 0.000 0.465 194 Y N 0.967 121.233 120.300 -0.058 0.000 2.200 194 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 194 Y C 2.279 178.197 175.900 0.031 0.000 1.137 194 Y CA 1.021 59.162 58.100 0.067 0.000 1.163 194 Y CB -0.005 38.473 38.460 0.030 0.000 0.988 194 Y HN -0.203 nan 8.280 nan 0.000 0.518 195 V N -0.096 119.786 119.914 -0.054 0.000 2.453 195 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 195 V C 2.026 178.041 176.094 -0.132 0.000 1.048 195 V CA 2.059 64.132 62.300 -0.379 0.000 1.049 195 V CB -0.467 31.129 31.823 -0.379 0.000 0.672 195 V HN 0.425 nan 8.190 nan 0.000 0.457 196 Q N 0.360 120.120 119.800 -0.067 0.000 2.123 196 Q HA -0.117 4.223 4.340 -0.000 0.000 0.199 196 Q C 1.996 177.930 176.000 -0.111 0.000 0.966 196 Q CA 1.615 57.389 55.803 -0.048 0.000 0.845 196 Q CB -0.117 28.607 28.738 -0.023 0.000 0.907 196 Q HN 0.896 nan 8.270 nan 0.000 0.439 197 N N -1.537 117.013 118.700 -0.251 0.000 2.353 197 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 197 N C 0.557 175.714 175.510 -0.589 0.000 1.098 197 N CA 0.368 53.172 53.050 -0.409 0.000 0.872 197 N CB 0.197 38.449 38.487 -0.392 0.000 0.970 197 N HN 0.341 nan 8.380 nan 0.000 0.467 198 H N -0.914 118.088 119.070 -0.113 0.000 2.788 198 H HA 0.256 4.812 4.556 -0.000 0.000 0.262 198 H C -0.293 175.135 175.328 0.166 0.000 0.968 198 H CA -0.240 55.759 56.048 -0.081 0.000 1.218 198 H CB 0.227 29.840 29.762 -0.247 0.000 1.443 198 H HN 0.067 nan 8.280 nan 0.000 0.478 199 F N 3.401 123.354 119.950 0.005 0.000 2.640 199 F HA 0.232 4.759 4.527 -0.000 0.000 0.354 199 F C 0.743 176.532 175.800 -0.019 0.000 1.213 199 F CA -0.781 57.223 58.000 0.007 0.000 1.314 199 F CB -0.835 38.177 39.000 0.020 0.000 1.679 199 F HN 0.013 nan 8.300 nan 0.000 0.622 200 T N -3.922 110.694 114.554 0.103 0.000 2.942 200 T HA 0.338 4.688 4.350 -0.000 0.000 0.289 200 T C 1.351 176.059 174.700 0.014 0.000 1.044 200 T CA -0.577 61.549 62.100 0.044 0.000 1.023 200 T CB 1.712 70.585 68.868 0.009 0.000 1.123 200 T HN 0.049 nan 8.240 nan 0.000 0.512 201 S N 1.023 116.727 115.700 0.008 0.000 2.381 201 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 201 S C 2.298 176.892 174.600 -0.009 0.000 1.052 201 S CA 1.688 59.886 58.200 -0.004 0.000 1.068 201 S CB -0.982 62.213 63.200 -0.008 0.000 0.918 201 S HN 0.990 nan 8.310 nan 0.000 0.448 202 A N 0.819 123.634 122.820 -0.008 0.000 2.209 202 A HA 0.043 4.363 4.320 -0.000 0.000 0.212 202 A C 1.687 179.267 177.584 -0.007 0.000 1.158 202 A CA 0.534 52.567 52.037 -0.006 0.000 0.742 202 A CB -0.148 18.849 19.000 -0.004 0.000 0.790 202 A HN 0.502 nan 8.150 nan 0.000 0.472 203 R N -1.490 119.000 120.500 -0.017 0.000 2.613 203 R HA 0.480 4.820 4.340 -0.000 0.000 0.361 203 R C -0.563 175.721 176.300 -0.026 0.000 1.072 203 R CA -0.019 56.064 56.100 -0.028 0.000 1.089 203 R CB 0.342 30.605 30.300 -0.061 0.000 1.343 203 R HN 0.382 nan 8.270 nan 0.000 0.571 204 M N 0.283 119.873 119.600 -0.016 0.000 2.572 204 M HA 0.652 5.132 4.480 -0.000 0.000 0.299 204 M C -1.313 174.987 176.300 0.001 0.000 1.205 204 M CA -0.851 54.440 55.300 -0.014 0.000 0.876 204 M CB 2.728 35.309 32.600 -0.032 0.000 1.728 204 M HN 0.066 nan 8.290 nan 0.000 0.458 205 A N 2.018 124.857 122.820 0.032 0.000 2.486 205 A HA 0.846 5.166 4.320 -0.000 0.000 0.300 205 A C -2.133 175.486 177.584 0.059 0.000 1.048 205 A CA -0.565 51.479 52.037 0.012 0.000 0.696 205 A CB 1.688 20.688 19.000 -0.001 0.000 1.278 205 A HN 0.693 nan 8.150 nan 0.000 0.405 206 L N 3.779 125.002 121.223 -0.001 0.000 2.345 206 L HA 0.600 4.940 4.340 -0.000 0.000 0.274 206 L C -1.204 175.675 176.870 0.015 0.000 0.999 206 L CA -0.424 54.432 54.840 0.027 0.000 0.849 206 L CB 0.963 43.011 42.059 -0.018 0.000 1.220 206 L HN 0.556 nan 8.230 nan 0.000 0.422 207 I N 3.956 124.585 120.570 0.098 0.000 2.359 207 I HA 0.619 4.789 4.170 -0.000 0.000 0.294 207 I C 0.694 176.855 176.117 0.073 0.000 0.987 207 I CA -0.474 60.865 61.300 0.065 0.000 1.225 207 I CB 1.232 39.276 38.000 0.073 0.000 1.366 207 I HN 0.687 nan 8.210 nan 0.000 0.466 208 G N 6.139 114.967 108.800 0.047 0.000 2.609 208 G HA2 0.642 4.602 3.960 -0.000 0.000 0.308 208 G HA3 0.642 4.602 3.960 -0.000 0.000 0.308 208 G C -1.513 173.430 174.900 0.072 0.000 1.369 208 G CA -0.338 44.793 45.100 0.051 0.000 0.958 208 G HN 0.360 nan 8.290 nan 0.000 0.499 209 L N 1.992 123.261 121.223 0.076 0.000 2.319 209 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 209 L C 1.022 177.913 176.870 0.034 0.000 1.005 209 L CA 0.820 55.706 54.840 0.077 0.000 0.828 209 L CB 1.854 43.983 42.059 0.116 0.000 1.227 209 L HN 1.113 nan 8.230 nan 0.000 0.415 210 G N 2.557 111.357 108.800 -0.001 0.000 2.157 210 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.248 210 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.248 210 G C 0.000 174.899 174.900 -0.002 0.000 0.979 210 G CA 0.193 45.285 45.100 -0.013 0.000 0.650 210 G HN 0.797 nan 8.290 nan 0.000 0.529 211 V N -1.880 118.036 119.914 0.004 0.000 3.229 211 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 211 V C 0.480 176.581 176.094 0.012 0.000 1.206 211 V CA -0.070 62.236 62.300 0.010 0.000 1.051 211 V CB 1.583 33.413 31.823 0.011 0.000 1.183 211 V HN 1.439 nan 8.190 nan 0.000 0.466 212 S N -2.078 113.635 115.700 0.022 0.000 2.537 212 S HA 0.477 4.947 4.470 -0.000 0.000 0.301 212 S C 0.585 175.220 174.600 0.058 0.000 1.092 212 S CA -0.142 58.085 58.200 0.045 0.000 1.048 212 S CB 1.272 64.500 63.200 0.047 0.000 1.053 212 S HN 0.911 nan 8.310 nan 0.000 0.501 213 H N 2.584 121.651 119.070 -0.004 0.000 2.319 213 H HA 0.031 4.587 4.556 -0.000 0.000 0.297 213 H C -1.241 174.085 175.328 -0.003 0.000 1.097 213 H CA 2.832 58.877 56.048 -0.006 0.000 1.285 213 H CB -1.133 28.626 29.762 -0.004 0.000 1.368 213 H HN 0.536 nan 8.280 nan 0.000 0.495 214 P HA -0.150 nan 4.420 nan 0.000 0.216 214 P C 1.602 178.890 177.300 -0.020 0.000 1.150 214 P CA 1.229 64.340 63.100 0.017 0.000 0.837 214 P CB 0.071 31.796 31.700 0.042 0.000 0.786 215 V N -0.655 119.251 119.914 -0.014 0.000 2.358 215 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 215 V C 2.478 178.550 176.094 -0.037 0.000 1.047 215 V CA 1.442 63.735 62.300 -0.012 0.000 1.035 215 V CB -1.130 30.694 31.823 0.002 0.000 0.658 215 V HN 0.075 nan 8.190 nan 0.000 0.452 216 L N -0.049 121.121 121.223 -0.089 0.000 1.994 216 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 216 L C 2.648 179.430 176.870 -0.145 0.000 1.071 216 L CA 2.259 57.024 54.840 -0.126 0.000 0.745 216 L CB -0.585 41.350 42.059 -0.206 0.000 0.892 216 L HN 0.328 nan 8.230 nan 0.000 0.431 217 K N -0.228 120.034 120.400 -0.230 0.000 2.103 217 K HA -0.287 4.033 4.320 -0.000 0.000 0.207 217 K C 2.141 178.691 176.600 -0.083 0.000 1.048 217 K CA 1.662 57.842 56.287 -0.178 0.000 0.930 217 K CB 0.029 32.419 32.500 -0.184 0.000 0.716 217 K HN 0.106 nan 8.250 nan 0.000 0.444 218 Q N 0.486 120.254 119.800 -0.053 0.000 2.050 218 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 218 Q C 1.902 177.906 176.000 0.006 0.000 0.980 218 Q CA 1.863 57.652 55.803 -0.023 0.000 0.840 218 Q CB -0.241 28.497 28.738 -0.000 0.000 0.898 218 Q HN 0.177 nan 8.270 nan 0.000 0.424 219 V N 0.597 120.546 119.914 0.058 0.000 2.332 219 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 219 V C 2.210 178.400 176.094 0.160 0.000 1.055 219 V CA 1.883 64.297 62.300 0.190 0.000 1.038 219 V CB -1.126 30.771 31.823 0.123 0.000 0.651 219 V HN 0.555 nan 8.190 nan 0.000 0.450 220 A N -0.482 122.359 122.820 0.034 0.000 1.877 220 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 220 A C 2.137 179.703 177.584 -0.030 0.000 1.186 220 A CA 1.814 53.851 52.037 0.000 0.000 0.620 220 A CB -0.453 18.516 19.000 -0.053 0.000 0.822 220 A HN 0.637 nan 8.150 nan 0.000 0.443 221 E N -0.499 119.663 120.200 -0.063 0.000 2.208 221 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 221 E C 2.185 178.684 176.600 -0.170 0.000 0.988 221 E CA 1.065 57.410 56.400 -0.093 0.000 0.828 221 E CB -0.127 29.524 29.700 -0.081 0.000 0.763 221 E HN 0.740 nan 8.360 nan 0.000 0.478 222 Q N -0.633 119.011 119.800 -0.260 0.000 2.089 222 Q HA -0.004 4.336 4.340 -0.000 0.000 0.195 222 Q C 1.314 176.835 176.000 -0.798 0.000 0.963 222 Q CA 1.007 56.433 55.803 -0.628 0.000 0.834 222 Q CB 0.216 28.372 28.738 -0.970 0.000 0.906 222 Q HN 0.279 nan 8.270 nan 0.000 0.452 223 F N -0.999 118.931 119.950 -0.033 0.000 2.727 223 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 223 F C 1.166 176.950 175.800 -0.027 0.000 1.107 223 F CA 0.069 58.051 58.000 -0.030 0.000 1.277 223 F CB 0.619 39.600 39.000 -0.032 0.000 1.079 223 F HN -0.126 nan 8.300 nan 0.000 0.594 224 L N 0.444 121.725 121.223 0.096 0.000 2.848 224 L HA 0.219 4.559 4.340 -0.000 0.000 0.240 224 L C -0.076 176.802 176.870 0.014 0.000 1.232 224 L CA -0.095 54.778 54.840 0.055 0.000 1.031 224 L CB -0.482 41.599 42.059 0.037 0.000 1.338 224 L HN -0.002 nan 8.230 nan 0.000 0.509 225 N N 1.984 120.681 118.700 -0.005 0.000 2.801 225 N HA 0.376 5.116 4.740 -0.000 0.000 0.235 225 N C -0.976 174.529 175.510 -0.008 0.000 1.069 225 N CA -0.044 52.995 53.050 -0.018 0.000 0.946 225 N CB 0.306 38.768 38.487 -0.041 0.000 1.212 225 N HN 0.140 nan 8.380 nan 0.000 0.509 226 I N 2.051 122.623 120.570 0.004 0.000 2.512 226 I HA 0.428 4.598 4.170 -0.000 0.000 0.287 226 I C -0.408 175.712 176.117 0.004 0.000 1.069 226 I CA -0.838 60.468 61.300 0.010 0.000 1.056 226 I CB 1.673 39.693 38.000 0.033 0.000 1.229 226 I HN 0.203 nan 8.210 nan 0.000 0.429 227 R N 3.868 124.366 120.500 -0.004 0.000 2.522 227 R HA 0.632 4.972 4.340 -0.000 0.000 0.283 227 R C -0.245 176.045 176.300 -0.017 0.000 1.074 227 R CA -0.596 55.498 56.100 -0.010 0.000 0.925 227 R CB 2.071 32.364 30.300 -0.012 0.000 1.205 227 R HN 0.920 nan 8.270 nan 0.000 0.436 228 G N 1.334 110.119 108.800 -0.026 0.000 4.706 228 G HA2 0.078 4.038 3.960 -0.000 0.000 0.223 228 G HA3 0.078 4.038 3.960 -0.000 0.000 0.223 228 G C 0.053 174.918 174.900 -0.058 0.000 0.812 228 G CA 0.115 45.194 45.100 -0.035 0.000 1.222 228 G HN 0.757 nan 8.290 nan 0.000 0.732 229 G N -0.096 108.662 108.800 -0.070 0.000 3.182 229 G HA2 0.711 4.671 3.960 -0.000 0.000 0.167 229 G HA3 0.711 4.671 3.960 -0.000 0.000 0.167 229 G C 0.228 175.066 174.900 -0.105 0.000 1.537 229 G CA -0.447 44.580 45.100 -0.122 0.000 1.046 229 G HN 0.336 nan 8.290 nan 0.000 0.580 230 L N -1.612 119.545 121.223 -0.110 0.000 2.464 230 L HA 0.711 5.051 4.340 -0.000 0.000 0.264 230 L C 1.624 178.475 176.870 -0.032 0.000 1.062 230 L CA -0.030 54.776 54.840 -0.058 0.000 0.935 230 L CB 1.352 43.384 42.059 -0.044 0.000 1.603 230 L HN 0.585 nan 8.230 nan 0.000 0.528 231 G N -0.691 108.108 108.800 -0.003 0.000 2.732 231 G HA2 0.247 4.207 3.960 -0.000 0.000 0.206 231 G HA3 0.247 4.207 3.960 -0.000 0.000 0.206 231 G C 0.205 175.120 174.900 0.025 0.000 1.253 231 G CA -0.108 44.996 45.100 0.008 0.000 0.796 231 G HN 0.164 nan 8.290 nan 0.000 0.616 232 L N 1.411 122.665 121.223 0.052 0.000 2.472 232 L HA 0.406 4.746 4.340 -0.000 0.000 0.260 232 L C 0.649 177.599 176.870 0.133 0.000 1.209 232 L CA -0.096 54.791 54.840 0.078 0.000 0.817 232 L CB 0.045 42.151 42.059 0.078 0.000 1.106 232 L HN 0.010 nan 8.230 nan 0.000 0.479 233 S N 0.298 116.088 115.700 0.149 0.000 2.967 233 S HA 0.432 4.902 4.470 -0.000 0.000 0.254 233 S C 0.628 175.356 174.600 0.213 0.000 1.089 233 S CA 0.015 58.362 58.200 0.244 0.000 1.183 233 S CB -0.634 62.672 63.200 0.176 0.000 0.848 233 S HN 0.929 nan 8.310 nan 0.000 0.477 234 G N -0.666 108.260 108.800 0.210 0.000 2.752 234 G HA2 0.553 4.512 3.960 -0.000 0.000 0.298 234 G HA3 0.553 4.512 3.960 -0.000 0.000 0.298 234 G C 0.036 174.994 174.900 0.097 0.000 1.434 234 G CA -0.191 44.972 45.100 0.105 0.000 1.004 234 G HN 0.154 nan 8.290 nan 0.000 0.560 235 A N 1.005 123.848 122.820 0.038 0.000 2.095 235 A HA 0.672 4.992 4.320 -0.000 0.000 0.212 235 A C 1.004 178.602 177.584 0.024 0.000 1.162 235 A CA 1.423 53.482 52.037 0.037 0.000 0.753 235 A CB -0.227 18.778 19.000 0.009 0.000 0.840 235 A HN 1.567 nan 8.150 nan 0.000 0.468 236 K N -1.354 119.050 120.400 0.007 0.000 4.754 236 K HA -0.046 4.274 4.320 -0.000 0.000 0.933 236 K C -0.331 176.280 176.600 0.019 0.000 1.744 236 K CA 0.272 56.570 56.287 0.019 0.000 1.399 236 K CB -1.357 31.169 32.500 0.044 0.000 2.862 236 K HN 0.963 nan 8.250 nan 0.000 0.194 237 A N 5.645 128.468 122.820 0.005 0.000 2.505 237 A HA 0.128 4.448 4.320 -0.000 0.000 0.271 237 A C 0.044 177.756 177.584 0.213 0.000 1.112 237 A CA 0.328 52.386 52.037 0.034 0.000 0.781 237 A CB 0.155 19.089 19.000 -0.109 0.000 1.059 237 A HN 0.421 nan 8.150 nan 0.000 0.508 238 K N 2.536 123.068 120.400 0.220 0.000 2.276 238 K HA 0.161 4.481 4.320 -0.000 0.000 0.285 238 K C -0.781 176.026 176.600 0.345 0.000 1.062 238 K CA -0.104 56.318 56.287 0.226 0.000 0.918 238 K CB 1.060 33.629 32.500 0.114 0.000 1.055 238 K HN 0.732 nan 8.250 nan 0.000 0.477 239 Y N 1.953 122.366 120.300 0.189 0.000 2.309 239 Y HA -0.035 4.515 4.550 -0.000 0.000 0.327 239 Y C 1.071 177.014 175.900 0.071 0.000 1.172 239 Y CA 0.649 58.766 58.100 0.027 0.000 1.280 239 Y CB 0.654 39.092 38.460 -0.035 0.000 1.234 239 Y HN 0.726 nan 8.280 nan 0.000 0.512 240 H N 2.833 121.372 119.070 -0.886 0.000 2.027 240 H HA 0.466 5.022 4.556 -0.000 0.000 0.209 240 H C 0.384 175.361 175.328 -0.584 0.000 0.903 240 H CA 0.738 56.489 56.048 -0.496 0.000 1.078 240 H CB 0.602 30.176 29.762 -0.313 0.000 1.248 240 H HN 0.937 nan 8.280 nan 0.000 0.432 241 G N -0.697 107.536 108.800 -0.945 0.000 2.592 241 G HA2 0.444 4.404 3.960 -0.000 0.000 0.684 241 G HA3 0.444 4.404 3.960 -0.000 0.000 0.684 241 G C 0.215 174.748 174.900 -0.611 0.000 1.291 241 G CA 0.268 44.987 45.100 -0.634 0.000 0.891 241 G HN 1.500 nan 8.290 nan 0.000 0.544 242 G N -1.016 107.568 108.800 -0.359 0.000 2.479 242 G HA2 0.594 4.554 3.960 -0.000 0.000 0.686 242 G HA3 0.594 4.554 3.960 -0.000 0.000 0.686 242 G C -0.578 174.222 174.900 -0.167 0.000 1.295 242 G CA 0.718 45.658 45.100 -0.266 0.000 0.922 242 G HN 2.675 nan 8.290 nan 0.000 0.582 243 E N -0.652 119.494 120.200 -0.090 0.000 2.416 243 E HA 0.765 5.115 4.350 -0.000 0.000 0.273 243 E C -1.030 175.555 176.600 -0.026 0.000 0.935 243 E CA -1.061 55.303 56.400 -0.061 0.000 0.784 243 E CB 1.934 31.603 29.700 -0.050 0.000 1.301 243 E HN 0.902 nan 8.360 nan 0.000 0.454 244 I N 1.037 121.586 120.570 -0.035 0.000 2.545 244 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 244 I C -0.112 175.985 176.117 -0.034 0.000 1.040 244 I CA -0.928 60.364 61.300 -0.014 0.000 1.068 244 I CB 2.003 40.002 38.000 -0.002 0.000 1.251 244 I HN 0.310 nan 8.210 nan 0.000 0.424 245 R N 3.773 124.258 120.500 -0.024 0.000 2.561 245 R HA 0.426 4.766 4.340 -0.000 0.000 0.297 245 R C -0.858 175.420 176.300 -0.035 0.000 0.969 245 R CA -0.710 55.356 56.100 -0.057 0.000 0.879 245 R CB 2.676 32.921 30.300 -0.091 0.000 1.178 245 R HN 0.556 nan 8.270 nan 0.000 0.445 246 E N 2.868 123.041 120.200 -0.047 0.000 2.207 246 E HA 0.083 4.433 4.350 -0.000 0.000 0.250 246 E C -0.725 175.845 176.600 -0.050 0.000 0.890 246 E CA -0.584 55.795 56.400 -0.036 0.000 0.749 246 E CB 1.089 30.770 29.700 -0.031 0.000 1.193 246 E HN 0.314 nan 8.360 nan 0.000 0.423 247 Q N 2.166 121.943 119.800 -0.039 0.000 2.361 247 Q HA 0.063 4.403 4.340 -0.000 0.000 0.276 247 Q C -0.247 175.730 176.000 -0.037 0.000 1.022 247 Q CA 0.840 56.621 55.803 -0.037 0.000 0.898 247 Q CB 1.328 30.051 28.738 -0.025 0.000 1.246 247 Q HN 0.748 nan 8.270 nan 0.000 0.410 248 N N -0.402 118.277 118.700 -0.036 0.000 2.406 248 N HA 0.092 4.831 4.740 -0.000 0.000 0.271 248 N C -0.506 174.989 175.510 -0.026 0.000 0.917 248 N CA 0.448 53.473 53.050 -0.041 0.000 0.905 248 N CB 0.675 39.127 38.487 -0.059 0.000 1.767 248 N HN 0.721 nan 8.380 nan 0.000 0.863 249 G N 1.799 110.589 108.800 -0.017 0.000 2.587 249 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.245 249 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.245 249 G C -0.819 174.078 174.900 -0.005 0.000 0.959 249 G CA 0.417 45.513 45.100 -0.007 0.000 1.268 249 G HN 0.456 nan 8.290 nan 0.000 0.448 250 D N 0.099 120.501 120.400 0.004 0.000 2.520 250 D HA 0.333 4.973 4.640 -0.000 0.000 0.223 250 D C 1.453 177.772 176.300 0.031 0.000 1.186 250 D CA 1.399 55.408 54.000 0.016 0.000 0.821 250 D CB 0.534 41.349 40.800 0.024 0.000 1.072 250 D HN 1.002 nan 8.370 nan 0.000 0.518 251 S N -0.781 114.932 115.700 0.022 0.000 1.703 251 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 251 S C 0.058 174.671 174.600 0.022 0.000 0.865 251 S CA 0.975 59.187 58.200 0.020 0.000 1.462 251 S CB -1.422 61.791 63.200 0.021 0.000 1.879 251 S HN 0.284 nan 8.310 nan 0.000 0.532 252 L N 2.603 123.850 121.223 0.041 0.000 2.275 252 L HA 0.630 4.970 4.340 -0.000 0.000 0.288 252 L C 0.065 176.965 176.870 0.051 0.000 1.046 252 L CA -0.817 54.042 54.840 0.032 0.000 0.805 252 L CB 1.604 43.687 42.059 0.040 0.000 1.193 252 L HN 0.188 nan 8.230 nan 0.000 0.426 253 V N 3.294 123.204 119.914 -0.007 0.000 2.461 253 V HA 0.191 4.311 4.120 -0.000 0.000 0.275 253 V C 0.128 176.187 176.094 -0.058 0.000 1.047 253 V CA -0.359 61.937 62.300 -0.006 0.000 0.955 253 V CB 0.799 32.601 31.823 -0.036 0.000 0.988 253 V HN 0.564 nan 8.190 nan 0.000 0.471 254 H N 3.502 122.523 119.070 -0.082 0.000 2.459 254 H HA 0.743 5.299 4.556 -0.000 0.000 0.332 254 H C -0.100 175.056 175.328 -0.286 0.000 1.094 254 H CA -0.166 55.797 56.048 -0.143 0.000 1.224 254 H CB 2.017 31.751 29.762 -0.046 0.000 1.449 254 H HN 0.766 nan 8.280 nan 0.000 0.484 255 A N 2.161 124.742 122.820 -0.398 0.000 2.549 255 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 255 A C -1.388 175.834 177.584 -0.603 0.000 1.061 255 A CA -0.403 51.398 52.037 -0.392 0.000 0.690 255 A CB 1.714 20.587 19.000 -0.211 0.000 1.287 255 A HN 0.714 nan 8.150 nan 0.000 0.402 256 A N 1.446 123.981 122.820 -0.476 0.000 2.393 256 A HA 0.753 5.073 4.320 -0.000 0.000 0.306 256 A C -1.357 175.976 177.584 -0.418 0.000 1.050 256 A CA -0.358 51.399 52.037 -0.467 0.000 0.724 256 A CB 1.226 19.955 19.000 -0.452 0.000 1.248 256 A HN 1.206 nan 8.150 nan 0.000 0.424 257 L N 3.529 124.410 121.223 -0.571 0.000 2.381 257 L HA 0.791 5.131 4.340 -0.000 0.000 0.274 257 L C -1.451 175.194 176.870 -0.375 0.000 0.988 257 L CA -0.538 53.987 54.840 -0.524 0.000 0.824 257 L CB 1.681 43.261 42.059 -0.798 0.000 1.263 257 L HN 0.581 nan 8.230 nan 0.000 0.410 258 V N 2.868 122.705 119.914 -0.128 0.000 3.159 258 V HA 0.893 5.013 4.120 -0.000 0.000 0.308 258 V C -0.613 175.583 176.094 0.171 0.000 1.190 258 V CA -0.532 61.828 62.300 0.100 0.000 1.037 258 V CB 2.161 33.998 31.823 0.024 0.000 1.060 258 V HN 0.894 nan 8.190 nan 0.000 0.437 259 A N 0.746 123.732 122.820 0.278 0.000 2.566 259 A HA 0.783 5.103 4.320 -0.000 0.000 0.292 259 A C -0.768 176.778 177.584 -0.063 0.000 1.112 259 A CA -0.600 51.496 52.037 0.097 0.000 0.707 259 A CB 1.541 20.598 19.000 0.095 0.000 1.302 259 A HN 0.853 nan 8.150 nan 0.000 0.409 260 E N 0.308 120.217 120.200 -0.486 0.000 2.384 260 E HA 0.362 4.711 4.350 -0.000 0.000 0.266 260 E C 0.747 177.181 176.600 -0.277 0.000 1.012 260 E CA 0.504 56.576 56.400 -0.547 0.000 0.901 260 E CB 0.519 29.671 29.700 -0.913 0.000 0.967 260 E HN 0.730 nan 8.360 nan 0.000 0.435 261 S N 3.403 118.909 115.700 -0.324 0.000 3.541 261 S HA 0.713 5.183 4.470 -0.000 0.000 0.180 261 S C -0.087 174.265 174.600 -0.414 0.000 0.887 261 S CA -0.137 57.649 58.200 -0.689 0.000 1.264 261 S CB 0.280 62.637 63.200 -1.405 0.000 0.873 261 S HN 0.592 nan 8.310 nan 0.000 0.809 262 A N 0.282 122.861 122.820 -0.402 0.000 2.475 262 A HA 0.871 5.191 4.320 -0.000 0.000 0.301 262 A C -0.347 177.213 177.584 -0.040 0.000 1.059 262 A CA -0.502 51.481 52.037 -0.089 0.000 0.710 262 A CB 1.134 20.176 19.000 0.070 0.000 1.288 262 A HN 1.313 nan 8.150 nan 0.000 0.408 263 A N 1.328 124.159 122.820 0.018 0.000 2.440 263 A HA 0.516 4.836 4.320 -0.000 0.000 0.251 263 A C 0.422 178.020 177.584 0.024 0.000 1.089 263 A CA -0.218 51.842 52.037 0.038 0.000 0.779 263 A CB -0.118 18.917 19.000 0.059 0.000 1.022 263 A HN 1.153 nan 8.150 nan 0.000 0.492 264 I N 1.824 122.403 120.570 0.015 0.000 2.880 264 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 264 I C 1.471 177.596 176.117 0.013 0.000 1.220 264 I CA 2.035 63.337 61.300 0.004 0.000 1.435 264 I CB 0.476 38.474 38.000 -0.004 0.000 1.339 264 I HN 1.181 nan 8.210 nan 0.000 0.583 265 G N 4.193 112.994 108.800 0.001 0.000 2.363 265 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.238 265 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.238 265 G C 0.385 175.283 174.900 -0.003 0.000 1.062 265 G CA 0.296 45.392 45.100 -0.007 0.000 0.629 265 G HN 1.056 nan 8.290 nan 0.000 0.514 266 S N 0.801 116.509 115.700 0.013 0.000 2.584 266 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 266 S C 1.698 176.308 174.600 0.017 0.000 1.346 266 S CA 0.571 58.782 58.200 0.018 0.000 1.018 266 S CB 1.672 64.892 63.200 0.033 0.000 0.899 266 S HN 1.792 nan 8.310 nan 0.000 0.542 267 A N 0.793 123.620 122.820 0.011 0.000 1.969 267 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 267 A C 2.091 179.687 177.584 0.020 0.000 1.169 267 A CA 1.460 53.499 52.037 0.003 0.000 0.635 267 A CB -1.013 17.981 19.000 -0.009 0.000 0.810 267 A HN 1.009 nan 8.150 nan 0.000 0.445 268 E N -0.041 120.189 120.200 0.050 0.000 2.153 268 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 268 E C 2.070 178.783 176.600 0.188 0.000 0.988 268 E CA 0.833 57.291 56.400 0.096 0.000 0.811 268 E CB -0.215 29.571 29.700 0.144 0.000 0.746 268 E HN 0.581 nan 8.360 nan 0.000 0.466 269 A N 1.174 124.083 122.820 0.150 0.000 1.940 269 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 269 A C 1.722 179.384 177.584 0.130 0.000 1.176 269 A CA 1.882 54.013 52.037 0.157 0.000 0.631 269 A CB -0.719 18.321 19.000 0.066 0.000 0.814 269 A HN 0.369 nan 8.150 nan 0.000 0.446 270 N N 0.219 118.952 118.700 0.055 0.000 2.396 270 N HA 0.103 4.843 4.740 -0.000 0.000 0.180 270 N C 1.696 177.207 175.510 0.002 0.000 1.028 270 N CA 0.906 53.967 53.050 0.019 0.000 0.893 270 N CB -0.203 38.269 38.487 -0.024 0.000 0.967 270 N HN 0.495 nan 8.380 nan 0.000 0.440 271 A N 0.565 123.365 122.820 -0.032 0.000 1.898 271 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 271 A C 1.676 179.116 177.584 -0.240 0.000 1.181 271 A CA 0.929 52.872 52.037 -0.157 0.000 0.620 271 A CB -0.756 18.097 19.000 -0.245 0.000 0.819 271 A HN 0.179 nan 8.150 nan 0.000 0.442 272 F N 0.312 120.190 119.950 -0.120 0.000 2.134 272 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 272 F C 2.905 178.704 175.800 -0.002 0.000 1.097 272 F CA 1.617 59.501 58.000 -0.194 0.000 1.264 272 F CB -0.510 38.396 39.000 -0.156 0.000 1.001 272 F HN 0.157 nan 8.300 nan 0.000 0.479 273 S N -0.413 115.415 115.700 0.214 0.000 2.382 273 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 273 S C 2.231 176.979 174.600 0.246 0.000 1.027 273 S CA 1.149 59.482 58.200 0.222 0.000 0.991 273 S CB -0.370 62.915 63.200 0.141 0.000 0.823 273 S HN 0.109 nan 8.310 nan 0.000 0.469 274 V N 1.470 121.456 119.914 0.120 0.000 2.488 274 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 274 V C 2.188 178.352 176.094 0.116 0.000 1.046 274 V CA 1.239 63.600 62.300 0.102 0.000 1.053 274 V CB -0.508 31.320 31.823 0.009 0.000 0.679 274 V HN 0.401 nan 8.190 nan 0.000 0.458 275 L N 0.477 121.718 121.223 0.029 0.000 2.042 275 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 275 L C 2.506 179.510 176.870 0.224 0.000 1.076 275 L CA 2.384 57.232 54.840 0.014 0.000 0.749 275 L CB -0.925 40.967 42.059 -0.277 0.000 0.893 275 L HN 0.461 nan 8.230 nan 0.000 0.432 276 Q N -1.428 118.594 119.800 0.370 0.000 2.112 276 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 276 Q C 1.996 178.035 176.000 0.066 0.000 0.987 276 Q CA 2.078 58.069 55.803 0.312 0.000 0.858 276 Q CB -0.285 28.598 28.738 0.242 0.000 0.905 276 Q HN 0.698 nan 8.270 nan 0.000 0.420 277 H N -0.963 118.186 119.070 0.131 0.000 2.512 277 H HA 0.001 4.557 4.556 -0.000 0.000 0.279 277 H C 2.156 177.521 175.328 0.061 0.000 0.999 277 H CA 0.911 57.011 56.048 0.087 0.000 1.283 277 H CB 0.538 30.344 29.762 0.073 0.000 1.421 277 H HN 0.166 nan 8.280 nan 0.000 0.554 278 V N 1.355 121.362 119.914 0.154 0.000 2.255 278 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 278 V C 2.708 178.854 176.094 0.087 0.000 1.038 278 V CA 1.218 63.575 62.300 0.096 0.000 1.008 278 V CB -0.575 31.288 31.823 0.067 0.000 0.645 278 V HN 0.248 nan 8.190 nan 0.000 0.449 279 L N 0.024 121.313 121.223 0.111 0.000 1.990 279 L HA 0.076 4.416 4.340 -0.000 0.000 0.213 279 L C 1.106 178.023 176.870 0.077 0.000 1.072 279 L CA 1.563 56.466 54.840 0.105 0.000 0.755 279 L CB -0.755 41.396 42.059 0.154 0.000 0.889 279 L HN 0.616 nan 8.230 nan 0.000 0.432 280 G N -1.863 106.969 108.800 0.052 0.000 2.957 280 G HA2 0.301 4.261 3.960 -0.000 0.000 0.636 280 G HA3 0.301 4.261 3.960 -0.000 0.000 0.636 280 G C -0.719 174.178 174.900 -0.005 0.000 1.401 280 G CA -0.457 44.657 45.100 0.023 0.000 0.941 280 G HN 0.376 nan 8.290 nan 0.000 0.610 281 A N 1.467 124.251 122.820 -0.061 0.000 3.936 281 A HA 1.037 5.357 4.320 -0.000 0.000 0.160 281 A C 1.522 179.124 177.584 0.029 0.000 1.286 281 A CA 0.668 52.670 52.037 -0.060 0.000 1.236 281 A CB -0.266 18.613 19.000 -0.202 0.000 1.604 281 A HN 2.441 nan 8.150 nan 0.000 0.674 282 G N -0.362 108.466 108.800 0.047 0.000 2.732 282 G HA2 0.440 4.400 3.960 -0.000 0.000 0.244 282 G HA3 0.440 4.400 3.960 -0.000 0.000 0.244 282 G C -2.488 172.491 174.900 0.131 0.000 1.226 282 G CA -0.334 44.809 45.100 0.071 0.000 0.860 282 G HN 0.486 nan 8.290 nan 0.000 0.583 283 P HA 0.344 nan 4.420 nan 0.000 0.277 283 P C -0.370 177.048 177.300 0.197 0.000 1.240 283 P CA -0.395 62.760 63.100 0.092 0.000 0.798 283 P CB 1.130 32.828 31.700 -0.004 0.000 0.979 284 H N -0.823 118.231 119.070 -0.026 0.000 2.750 284 H HA 0.292 4.848 4.556 -0.000 0.000 0.263 284 H C 0.010 175.327 175.328 -0.018 0.000 0.964 284 H CA 0.396 56.439 56.048 -0.009 0.000 1.205 284 H CB 0.484 30.248 29.762 0.004 0.000 1.454 284 H HN 0.021 nan 8.280 nan 0.000 0.503 285 V N 1.067 121.029 119.914 0.080 0.000 2.588 285 V HA 0.153 4.273 4.120 -0.000 0.000 0.304 285 V C -0.089 176.002 176.094 -0.006 0.000 1.042 285 V CA -1.457 60.859 62.300 0.027 0.000 0.877 285 V CB 2.421 34.254 31.823 0.017 0.000 0.996 285 V HN 0.075 nan 8.190 nan 0.000 0.425 286 K N 4.759 125.153 120.400 -0.009 0.000 2.430 286 K HA 0.146 4.466 4.320 -0.000 0.000 0.280 286 K C 0.235 176.820 176.600 -0.026 0.000 1.063 286 K CA 0.172 56.448 56.287 -0.018 0.000 1.071 286 K CB -0.122 32.371 32.500 -0.013 0.000 0.899 286 K HN 0.638 nan 8.250 nan 0.000 0.473 287 R N 1.518 121.995 120.500 -0.039 0.000 3.079 287 R HA -0.183 4.157 4.340 -0.000 0.000 0.254 287 R C 0.035 176.299 176.300 -0.060 0.000 0.900 287 R CA 0.353 56.423 56.100 -0.050 0.000 0.641 287 R CB -2.065 28.215 30.300 -0.032 0.000 1.307 287 R HN 0.797 nan 8.270 nan 0.000 0.477 288 G N -0.243 108.502 108.800 -0.092 0.000 2.597 288 G HA2 0.432 4.392 3.960 -0.000 0.000 0.317 288 G HA3 0.432 4.392 3.960 -0.000 0.000 0.317 288 G C 0.823 175.630 174.900 -0.155 0.000 1.230 288 G CA -0.251 44.791 45.100 -0.096 0.000 0.996 288 G HN 0.241 nan 8.290 nan 0.000 0.490 289 S N -1.252 114.376 115.700 -0.119 0.000 2.489 289 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 289 S C 0.807 175.274 174.600 -0.222 0.000 0.995 289 S CA 0.650 58.778 58.200 -0.121 0.000 0.934 289 S CB -0.467 62.714 63.200 -0.031 0.000 0.771 289 S HN 0.830 nan 8.310 nan 0.000 0.522 290 N N 0.793 119.362 118.700 -0.220 0.000 2.780 290 N HA -0.169 4.571 4.740 -0.000 0.000 0.247 290 N C 0.752 176.208 175.510 -0.090 0.000 1.076 290 N CA 0.150 53.067 53.050 -0.222 0.000 0.688 290 N CB -1.387 36.818 38.487 -0.471 0.000 0.957 290 N HN 0.542 nan 8.380 nan 0.000 0.551 291 A N -0.041 122.746 122.820 -0.055 0.000 1.917 291 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 291 A C 2.021 179.600 177.584 -0.009 0.000 1.182 291 A CA 2.055 54.084 52.037 -0.014 0.000 0.633 291 A CB -0.405 18.587 19.000 -0.014 0.000 0.819 291 A HN 0.484 nan 8.150 nan 0.000 0.448 292 T N -0.162 114.371 114.554 -0.036 0.000 3.317 292 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 292 T C 0.555 175.246 174.700 -0.016 0.000 1.106 292 T CA 0.749 62.829 62.100 -0.033 0.000 0.986 292 T CB -0.369 68.457 68.868 -0.069 0.000 1.010 292 T HN 0.320 nan 8.240 nan 0.000 0.560 293 S N 0.600 116.307 115.700 0.011 0.000 2.461 293 S HA 0.322 4.792 4.470 -0.000 0.000 0.322 293 S C 1.331 175.983 174.600 0.088 0.000 1.063 293 S CA -0.718 57.513 58.200 0.052 0.000 1.120 293 S CB 0.705 63.952 63.200 0.078 0.000 0.968 293 S HN 0.177 nan 8.310 nan 0.000 0.467 294 S N 4.787 120.526 115.700 0.066 0.000 2.374 294 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 294 S C 1.745 176.381 174.600 0.061 0.000 1.037 294 S CA 1.533 59.768 58.200 0.059 0.000 1.024 294 S CB -0.422 62.808 63.200 0.049 0.000 0.861 294 S HN 0.777 nan 8.310 nan 0.000 0.456 295 L N -0.872 120.393 121.223 0.069 0.000 2.027 295 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 295 L C 2.266 179.188 176.870 0.087 0.000 1.074 295 L CA 1.590 56.451 54.840 0.035 0.000 0.745 295 L CB -0.574 41.499 42.059 0.024 0.000 0.898 295 L HN 0.324 nan 8.230 nan 0.000 0.433 296 Y N 0.277 120.623 120.300 0.077 0.000 2.274 296 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 296 Y C 2.803 178.795 175.900 0.154 0.000 1.145 296 Y CA 1.181 59.379 58.100 0.165 0.000 1.203 296 Y CB 0.210 38.728 38.460 0.096 0.000 0.984 296 Y HN 0.216 nan 8.280 nan 0.000 0.533 297 Q N -0.637 119.310 119.800 0.245 0.000 2.137 297 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 297 Q C 2.507 178.544 176.000 0.061 0.000 0.960 297 Q CA 1.153 57.053 55.803 0.161 0.000 0.847 297 Q CB -0.595 28.208 28.738 0.109 0.000 0.915 297 Q HN 0.546 nan 8.270 nan 0.000 0.448 298 A N 0.274 123.104 122.820 0.017 0.000 1.969 298 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 298 A C 2.345 179.848 177.584 -0.136 0.000 1.169 298 A CA 1.184 53.192 52.037 -0.049 0.000 0.635 298 A CB -0.340 18.630 19.000 -0.050 0.000 0.810 298 A HN 0.189 nan 8.150 nan 0.000 0.445 299 V N -0.480 119.309 119.914 -0.209 0.000 2.446 299 V HA -0.115 4.005 4.120 -0.000 0.000 0.244 299 V C 2.993 178.793 176.094 -0.489 0.000 1.039 299 V CA 1.384 63.415 62.300 -0.449 0.000 1.045 299 V CB -1.053 30.326 31.823 -0.740 0.000 0.681 299 V HN 0.596 nan 8.190 nan 0.000 0.459 300 A N 0.459 123.139 122.820 -0.234 0.000 1.869 300 A HA -0.385 3.935 4.320 -0.000 0.000 0.218 300 A C 2.250 179.755 177.584 -0.132 0.000 1.203 300 A CA 2.791 54.800 52.037 -0.047 0.000 0.638 300 A CB -0.748 18.362 19.000 0.183 0.000 0.831 300 A HN 0.530 nan 8.150 nan 0.000 0.450 301 K N -1.247 119.109 120.400 -0.072 0.000 2.071 301 K HA -0.231 4.089 4.320 -0.000 0.000 0.217 301 K C 1.668 178.182 176.600 -0.143 0.000 1.054 301 K CA 2.140 58.397 56.287 -0.050 0.000 0.937 301 K CB -0.603 31.875 32.500 -0.038 0.000 0.719 301 K HN 0.461 nan 8.250 nan 0.000 0.454 302 G N -0.746 107.904 108.800 -0.250 0.000 3.088 302 G HA2 0.199 4.159 3.960 -0.000 0.000 0.217 302 G HA3 0.199 4.159 3.960 -0.000 0.000 0.217 302 G C -0.523 174.067 174.900 -0.516 0.000 1.159 302 G CA -0.166 44.754 45.100 -0.300 0.000 0.760 302 G HN 0.138 nan 8.290 nan 0.000 0.550 303 V N 1.888 121.389 119.914 -0.689 0.000 2.525 303 V HA 0.341 4.461 4.120 -0.000 0.000 0.299 303 V C -1.163 174.569 176.094 -0.603 0.000 1.034 303 V CA -1.068 60.840 62.300 -0.653 0.000 0.863 303 V CB 1.650 33.082 31.823 -0.651 0.000 0.999 303 V HN 0.325 nan 8.190 nan 0.000 0.423 304 H N 5.916 124.963 119.070 -0.038 0.000 2.572 304 H HA 0.704 5.260 4.556 -0.000 0.000 0.248 304 H C -0.440 174.925 175.328 0.062 0.000 1.397 304 H CA -0.435 55.632 56.048 0.031 0.000 1.319 304 H CB 0.931 30.702 29.762 0.014 0.000 1.452 304 H HN 0.689 nan 8.280 nan 0.000 0.535 305 Q N -0.512 119.411 119.800 0.205 0.000 2.903 305 Q HA -0.019 4.320 4.340 -0.000 0.000 0.285 305 Q C -3.066 173.068 176.000 0.224 0.000 0.883 305 Q CA -1.021 54.886 55.803 0.173 0.000 0.903 305 Q CB -0.959 27.858 28.738 0.131 0.000 1.679 305 Q HN 0.377 nan 8.270 nan 0.000 0.585 306 P HA 0.078 nan 4.420 nan 0.000 0.258 306 P C -0.694 176.720 177.300 0.190 0.000 1.136 306 P CA 1.139 64.299 63.100 0.100 0.000 0.761 306 P CB -0.407 31.328 31.700 0.059 0.000 0.724 307 F N 0.124 120.050 119.950 -0.039 0.000 2.765 307 F HA 0.591 5.118 4.527 -0.000 0.000 0.313 307 F C -2.035 173.728 175.800 -0.061 0.000 1.136 307 F CA -1.188 56.757 58.000 -0.091 0.000 0.952 307 F CB 1.192 40.087 39.000 -0.175 0.000 1.268 307 F HN 0.101 nan 8.300 nan 0.000 0.441 308 D N 1.350 121.738 120.400 -0.020 0.000 2.490 308 D HA 0.802 5.442 4.640 -0.000 0.000 0.232 308 D C -1.586 174.833 176.300 0.199 0.000 1.053 308 D CA -0.471 53.531 54.000 0.004 0.000 0.914 308 D CB 2.754 43.603 40.800 0.082 0.000 1.431 308 D HN 0.713 nan 8.370 nan 0.000 0.483 309 V N 0.467 120.520 119.914 0.232 0.000 2.888 309 V HA 0.773 4.893 4.120 -0.000 0.000 0.309 309 V C -0.513 175.721 176.094 0.233 0.000 1.114 309 V CA -0.822 61.611 62.300 0.221 0.000 0.940 309 V CB 1.644 33.548 31.823 0.135 0.000 1.021 309 V HN 0.523 nan 8.190 nan 0.000 0.426 310 S N 1.348 117.191 115.700 0.239 0.000 2.536 310 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 310 S C -0.251 174.467 174.600 0.196 0.000 1.134 310 S CA 0.105 58.419 58.200 0.190 0.000 0.897 310 S CB 1.790 65.083 63.200 0.155 0.000 1.094 310 S HN 1.613 nan 8.310 nan 0.000 0.473 311 A N 2.803 125.681 122.820 0.097 0.000 2.445 311 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 311 A C -0.680 176.890 177.584 -0.024 0.000 1.075 311 A CA 0.049 52.079 52.037 -0.012 0.000 0.777 311 A CB -0.123 18.850 19.000 -0.046 0.000 1.013 311 A HN 0.825 nan 8.150 nan 0.000 0.493 312 F N 2.115 121.845 119.950 -0.368 0.000 2.520 312 F HA 0.561 5.088 4.527 -0.000 0.000 0.322 312 F C -0.169 175.416 175.800 -0.358 0.000 1.103 312 F CA -0.677 57.167 58.000 -0.260 0.000 0.926 312 F CB 1.563 40.472 39.000 -0.151 0.000 1.154 312 F HN 0.644 nan 8.300 nan 0.000 0.453 313 N N 4.720 122.954 118.700 -0.776 0.000 2.599 313 N HA 0.570 5.310 4.740 -0.000 0.000 0.283 313 N C -2.087 173.075 175.510 -0.580 0.000 1.160 313 N CA -0.271 52.523 53.050 -0.427 0.000 0.869 313 N CB 1.304 39.766 38.487 -0.041 0.000 1.448 313 N HN 0.793 nan 8.380 nan 0.000 0.535 314 A N 2.146 124.648 122.820 -0.529 0.000 2.331 314 A HA 0.667 4.987 4.320 -0.000 0.000 0.320 314 A C -0.801 176.479 177.584 -0.507 0.000 1.138 314 A CA -0.546 51.193 52.037 -0.497 0.000 0.790 314 A CB 1.727 20.586 19.000 -0.236 0.000 1.206 314 A HN 0.400 nan 8.150 nan 0.000 0.470 315 S N 1.218 116.535 115.700 -0.640 0.000 2.594 315 S HA 0.747 5.217 4.470 -0.000 0.000 0.296 315 S C -1.263 173.001 174.600 -0.560 0.000 1.124 315 S CA -0.316 57.598 58.200 -0.477 0.000 1.011 315 S CB 0.365 63.443 63.200 -0.204 0.000 1.016 315 S HN 0.534 nan 8.310 nan 0.000 0.485 316 Y N 1.039 121.366 120.300 0.045 0.000 2.675 316 Y HA 0.321 4.871 4.550 -0.000 0.000 0.328 316 Y C 2.003 177.917 175.900 0.022 0.000 1.092 316 Y CA -0.614 57.501 58.100 0.024 0.000 1.190 316 Y CB 0.826 39.286 38.460 0.001 0.000 1.350 316 Y HN 0.690 nan 8.280 nan 0.000 0.525 317 S N -0.254 115.569 115.700 0.206 0.000 2.402 317 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 317 S C 0.506 175.168 174.600 0.104 0.000 1.030 317 S CA 1.987 60.260 58.200 0.122 0.000 1.003 317 S CB -0.392 62.870 63.200 0.104 0.000 0.813 317 S HN 0.827 nan 8.310 nan 0.000 0.477 318 D N -0.915 119.555 120.400 0.116 0.000 2.651 318 D HA 0.474 5.114 4.640 -0.000 0.000 0.280 318 D C 0.021 176.403 176.300 0.137 0.000 1.496 318 D CA -0.124 53.937 54.000 0.101 0.000 0.792 318 D CB 0.121 40.966 40.800 0.075 0.000 1.144 318 D HN 0.298 nan 8.370 nan 0.000 0.470 319 S N -1.632 114.178 115.700 0.184 0.000 2.671 319 S HA 0.729 5.199 4.470 -0.000 0.000 0.270 319 S C -1.567 173.178 174.600 0.243 0.000 1.166 319 S CA -0.148 58.198 58.200 0.243 0.000 0.868 319 S CB 1.084 64.529 63.200 0.410 0.000 1.190 319 S HN 0.684 nan 8.310 nan 0.000 0.494 320 G N 0.490 109.439 108.800 0.247 0.000 2.616 320 G HA2 0.544 4.504 3.960 -0.000 0.000 0.294 320 G HA3 0.544 4.504 3.960 -0.000 0.000 0.294 320 G C -2.412 172.562 174.900 0.122 0.000 1.489 320 G CA -0.627 44.538 45.100 0.107 0.000 0.836 320 G HN 0.708 nan 8.290 nan 0.000 0.527 321 L N 0.880 122.187 121.223 0.139 0.000 2.362 321 L HA 0.718 5.058 4.340 -0.000 0.000 0.275 321 L C -1.125 175.850 176.870 0.175 0.000 0.998 321 L CA -0.822 54.134 54.840 0.193 0.000 0.820 321 L CB 2.154 44.426 42.059 0.356 0.000 1.270 321 L HN 0.570 nan 8.230 nan 0.000 0.415 322 F N 1.954 121.914 119.950 0.016 0.000 2.565 322 F HA 0.875 5.402 4.527 -0.000 0.000 0.313 322 F C 0.167 176.010 175.800 0.072 0.000 1.091 322 F CA 0.085 58.108 58.000 0.039 0.000 0.915 322 F CB 2.163 41.127 39.000 -0.060 0.000 1.208 322 F HN 0.514 nan 8.300 nan 0.000 0.453 323 G N 3.144 111.438 108.800 -0.844 0.000 2.498 323 G HA2 0.368 4.328 3.960 -0.000 0.000 0.181 323 G HA3 0.368 4.328 3.960 -0.000 0.000 0.181 323 G C -1.862 172.667 174.900 -0.617 0.000 1.169 323 G CA -0.080 44.563 45.100 -0.762 0.000 0.992 323 G HN 1.017 nan 8.290 nan 0.000 0.490 324 F N -1.607 118.216 119.950 -0.212 0.000 2.643 324 F HA 0.870 5.397 4.527 -0.000 0.000 0.314 324 F C -1.457 174.348 175.800 0.009 0.000 1.096 324 F CA -2.143 55.807 58.000 -0.083 0.000 0.953 324 F CB 1.719 40.684 39.000 -0.059 0.000 1.345 324 F HN 0.617 nan 8.300 nan 0.000 0.468 325 Y N 1.120 121.567 120.300 0.245 0.000 2.361 325 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 325 Y C -0.576 175.442 175.900 0.195 0.000 0.965 325 Y CA -0.502 57.676 58.100 0.131 0.000 1.091 325 Y CB 1.844 40.344 38.460 0.067 0.000 1.182 325 Y HN 0.976 nan 8.280 nan 0.000 0.450 326 T N 4.523 119.120 114.554 0.071 0.000 2.856 326 T HA 0.729 5.079 4.350 -0.000 0.000 0.283 326 T C -0.919 173.743 174.700 -0.062 0.000 1.008 326 T CA -0.723 61.422 62.100 0.077 0.000 0.997 326 T CB 1.447 70.338 68.868 0.037 0.000 0.992 326 T HN 0.515 nan 8.240 nan 0.000 0.454 327 I N 2.967 123.524 120.570 -0.022 0.000 2.439 327 I HA 0.545 4.714 4.170 -0.000 0.000 0.285 327 I C -0.061 176.023 176.117 -0.056 0.000 1.021 327 I CA -0.634 60.542 61.300 -0.205 0.000 1.091 327 I CB 1.875 39.716 38.000 -0.265 0.000 1.242 327 I HN 1.015 nan 8.210 nan 0.000 0.439 328 S N 4.385 120.042 115.700 -0.071 0.000 2.671 328 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 328 S C -1.067 173.520 174.600 -0.023 0.000 1.165 328 S CA -1.133 57.065 58.200 -0.004 0.000 0.822 328 S CB 1.851 65.034 63.200 -0.028 0.000 1.150 328 S HN 0.431 nan 8.310 nan 0.000 0.479 329 Q N 0.415 120.210 119.800 -0.009 0.000 2.364 329 Q HA 0.343 4.683 4.340 -0.000 0.000 0.267 329 Q C 1.654 177.635 176.000 -0.031 0.000 0.999 329 Q CA 0.484 56.278 55.803 -0.016 0.000 0.886 329 Q CB 0.730 29.459 28.738 -0.016 0.000 1.243 329 Q HN 0.963 nan 8.270 nan 0.000 0.415 330 A N 2.684 125.492 122.820 -0.020 0.000 1.971 330 A HA -0.288 4.032 4.320 -0.000 0.000 0.222 330 A C 1.857 179.428 177.584 -0.022 0.000 1.182 330 A CA 2.515 54.547 52.037 -0.008 0.000 0.649 330 A CB -0.540 18.466 19.000 0.009 0.000 0.818 330 A HN 0.799 nan 8.150 nan 0.000 0.458 331 A N -1.803 120.960 122.820 -0.096 0.000 2.123 331 A HA 0.217 4.537 4.320 -0.000 0.000 0.214 331 A C 2.099 179.577 177.584 -0.178 0.000 1.152 331 A CA 1.365 53.253 52.037 -0.249 0.000 0.728 331 A CB -0.244 18.563 19.000 -0.321 0.000 0.814 331 A HN 0.407 nan 8.150 nan 0.000 0.464 332 S N -0.364 115.270 115.700 -0.109 0.000 2.575 332 S HA 0.321 4.791 4.470 -0.000 0.000 0.215 332 S C 1.985 176.530 174.600 -0.093 0.000 0.966 332 S CA 0.429 58.564 58.200 -0.109 0.000 0.911 332 S CB 0.030 63.160 63.200 -0.117 0.000 0.780 332 S HN 0.710 nan 8.310 nan 0.000 0.514 333 A N 2.280 125.066 122.820 -0.057 0.000 1.859 333 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 333 A C 2.329 179.887 177.584 -0.042 0.000 1.209 333 A CA 2.049 54.057 52.037 -0.049 0.000 0.639 333 A CB -1.691 17.289 19.000 -0.033 0.000 0.835 333 A HN 0.502 nan 8.150 nan 0.000 0.450 334 G N -0.102 108.691 108.800 -0.011 0.000 2.599 334 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 334 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 334 G C 1.143 176.026 174.900 -0.028 0.000 1.193 334 G CA 1.520 46.620 45.100 -0.000 0.000 0.778 334 G HN 0.525 nan 8.290 nan 0.000 0.589 335 D N 0.114 120.477 120.400 -0.062 0.000 2.097 335 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 335 D C 2.791 178.996 176.300 -0.158 0.000 0.989 335 D CA 1.082 55.019 54.000 -0.106 0.000 0.827 335 D CB -0.780 39.937 40.800 -0.139 0.000 0.966 335 D HN 0.233 nan 8.370 nan 0.000 0.456 336 V N 1.408 121.205 119.914 -0.194 0.000 2.295 336 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 336 V C 2.551 178.535 176.094 -0.183 0.000 1.049 336 V CA 1.203 63.346 62.300 -0.262 0.000 1.024 336 V CB -0.430 31.232 31.823 -0.269 0.000 0.648 336 V HN 0.177 nan 8.190 nan 0.000 0.447 337 I N -0.472 120.056 120.570 -0.071 0.000 2.142 337 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 337 I C 2.595 178.747 176.117 0.060 0.000 1.078 337 I CA 1.637 62.962 61.300 0.043 0.000 1.343 337 I CB -0.583 37.483 38.000 0.109 0.000 1.046 337 I HN 0.241 nan 8.210 nan 0.000 0.405 338 K N 1.122 121.553 120.400 0.051 0.000 2.044 338 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 338 K C 2.282 178.900 176.600 0.030 0.000 1.049 338 K CA 1.772 58.112 56.287 0.089 0.000 0.927 338 K CB -0.378 32.153 32.500 0.051 0.000 0.713 338 K HN 0.358 nan 8.250 nan 0.000 0.443 339 A N 1.587 124.362 122.820 -0.074 0.000 1.898 339 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 339 A C 2.430 179.927 177.584 -0.144 0.000 1.181 339 A CA 1.772 53.739 52.037 -0.117 0.000 0.620 339 A CB -0.658 18.229 19.000 -0.188 0.000 0.819 339 A HN 0.339 nan 8.150 nan 0.000 0.442 340 A N -1.432 121.229 122.820 -0.265 0.000 1.908 340 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 340 A C 2.179 179.571 177.584 -0.320 0.000 1.181 340 A CA 1.810 53.549 52.037 -0.496 0.000 0.627 340 A CB -0.795 17.572 19.000 -1.055 0.000 0.818 340 A HN 0.660 nan 8.150 nan 0.000 0.445 341 Y N 1.208 121.400 120.300 -0.180 0.000 2.163 341 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 341 Y C 2.045 178.038 175.900 0.155 0.000 1.136 341 Y CA 1.578 59.828 58.100 0.249 0.000 1.147 341 Y CB -1.131 37.522 38.460 0.323 0.000 0.987 341 Y HN 0.487 nan 8.280 nan 0.000 0.509 342 N N -0.357 118.380 118.700 0.063 0.000 2.192 342 N HA -0.263 4.477 4.740 -0.000 0.000 0.188 342 N C 1.725 177.226 175.510 -0.015 0.000 1.013 342 N CA 1.105 54.121 53.050 -0.057 0.000 0.863 342 N CB -0.191 38.266 38.487 -0.051 0.000 0.990 342 N HN 0.307 nan 8.380 nan 0.000 0.430 343 Q N 0.925 120.730 119.800 0.009 0.000 2.230 343 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 343 Q C 1.676 177.720 176.000 0.073 0.000 0.963 343 Q CA 1.005 56.818 55.803 0.016 0.000 0.866 343 Q CB 0.027 28.755 28.738 -0.017 0.000 0.931 343 Q HN 0.155 nan 8.270 nan 0.000 0.452 344 V N 0.398 120.409 119.914 0.161 0.000 2.379 344 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 344 V C 2.179 178.387 176.094 0.189 0.000 1.044 344 V CA 1.835 64.281 62.300 0.244 0.000 1.036 344 V CB -0.490 31.622 31.823 0.482 0.000 0.664 344 V HN 0.311 nan 8.190 nan 0.000 0.453 345 K N -0.344 120.129 120.400 0.122 0.000 2.113 345 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 345 K C 2.316 178.927 176.600 0.018 0.000 1.047 345 K CA 1.953 58.251 56.287 0.018 0.000 0.928 345 K CB -0.358 32.066 32.500 -0.128 0.000 0.716 345 K HN 0.407 nan 8.250 nan 0.000 0.446 346 T N 0.440 115.005 114.554 0.020 0.000 2.821 346 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 346 T C 1.608 176.320 174.700 0.019 0.000 1.046 346 T CA 0.982 63.089 62.100 0.011 0.000 1.139 346 T CB -0.025 68.847 68.868 0.007 0.000 0.871 346 T HN 0.146 nan 8.240 nan 0.000 0.454 347 I N 0.826 121.418 120.570 0.037 0.000 2.500 347 I HA -0.018 4.152 4.170 -0.000 0.000 0.252 347 I C 2.742 178.872 176.117 0.022 0.000 1.142 347 I CA 0.751 62.068 61.300 0.029 0.000 1.451 347 I CB -0.311 37.713 38.000 0.040 0.000 1.093 347 I HN 0.172 nan 8.210 nan 0.000 0.430 348 A N 0.192 123.038 122.820 0.043 0.000 1.933 348 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 348 A C 2.161 179.753 177.584 0.014 0.000 1.175 348 A CA 1.347 53.406 52.037 0.037 0.000 0.628 348 A CB -0.535 18.510 19.000 0.074 0.000 0.814 348 A HN 0.435 nan 8.150 nan 0.000 0.444 349 Q N -1.577 118.229 119.800 0.010 0.000 2.515 349 Q HA 0.207 4.547 4.340 -0.000 0.000 0.212 349 Q C 1.118 177.116 176.000 -0.003 0.000 0.970 349 Q CA 0.508 56.311 55.803 -0.000 0.000 0.941 349 Q CB -0.073 28.661 28.738 -0.005 0.000 0.998 349 Q HN 0.907 nan 8.270 nan 0.000 0.518 350 G N 0.663 109.461 108.800 -0.003 0.000 2.176 350 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.232 350 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.232 350 G C -0.091 174.805 174.900 -0.006 0.000 0.986 350 G CA -0.113 44.983 45.100 -0.007 0.000 0.643 350 G HN 0.386 nan 8.290 nan 0.000 0.522 351 N N 0.471 119.170 118.700 -0.002 0.000 3.259 351 N HA 0.498 5.237 4.740 -0.000 0.000 0.308 351 N C -0.300 175.211 175.510 0.001 0.000 1.334 351 N CA 0.036 53.086 53.050 -0.001 0.000 1.202 351 N CB 0.556 39.044 38.487 0.000 0.000 1.485 351 N HN 0.513 nan 8.380 nan 0.000 0.549 352 L N -0.851 120.370 121.223 -0.002 0.000 2.365 352 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 352 L C 0.388 177.255 176.870 -0.004 0.000 1.000 352 L CA -0.407 54.432 54.840 -0.002 0.000 0.819 352 L CB 1.715 43.770 42.059 -0.007 0.000 1.284 352 L HN -0.002 nan 8.230 nan 0.000 0.418 353 S N 2.323 118.022 115.700 -0.002 0.000 2.502 353 S HA 0.247 4.717 4.470 -0.000 0.000 0.251 353 S C 0.654 175.250 174.600 -0.006 0.000 1.254 353 S CA 0.319 58.518 58.200 -0.003 0.000 0.989 353 S CB 0.321 63.522 63.200 0.000 0.000 1.015 353 S HN 0.920 nan 8.310 nan 0.000 0.529 354 N N -0.093 118.604 118.700 -0.006 0.000 2.559 354 N HA 0.188 4.928 4.740 -0.000 0.000 0.247 354 N C -1.703 173.804 175.510 -0.006 0.000 1.063 354 N CA -0.025 53.020 53.050 -0.008 0.000 0.876 354 N CB -0.334 38.148 38.487 -0.009 0.000 1.608 354 N HN 0.325 nan 8.380 nan 0.000 0.467 355 P HA -0.015 nan 4.420 nan 0.000 0.231 355 P C 0.173 177.472 177.300 -0.001 0.000 1.158 355 P CA 1.026 64.124 63.100 -0.003 0.000 0.763 355 P CB 0.218 31.916 31.700 -0.002 0.000 0.805 356 D N -0.094 120.306 120.400 0.000 0.000 2.154 356 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 356 D C 2.188 178.492 176.300 0.007 0.000 0.977 356 D CA 0.839 54.842 54.000 0.005 0.000 0.869 356 D CB -0.938 39.866 40.800 0.007 0.000 1.022 356 D HN -0.101 nan 8.370 nan 0.000 0.461 357 V N 1.022 120.937 119.914 0.001 0.000 2.453 357 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 357 V C 2.414 178.505 176.094 -0.005 0.000 1.068 357 V CA 1.530 63.828 62.300 -0.003 0.000 1.070 357 V CB -0.494 31.321 31.823 -0.015 0.000 0.664 357 V HN 0.107 nan 8.190 nan 0.000 0.461 358 Q N 0.227 120.023 119.800 -0.006 0.000 2.016 358 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 358 Q C 2.335 178.332 176.000 -0.005 0.000 0.978 358 Q CA 2.142 57.940 55.803 -0.008 0.000 0.833 358 Q CB -0.850 27.884 28.738 -0.007 0.000 0.895 358 Q HN 0.591 nan 8.270 nan 0.000 0.427 359 A N 0.305 123.125 122.820 -0.001 0.000 1.883 359 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 359 A C 2.258 179.846 177.584 0.007 0.000 1.186 359 A CA 2.210 54.247 52.037 0.000 0.000 0.624 359 A CB -1.220 17.778 19.000 -0.003 0.000 0.822 359 A HN 0.449 nan 8.150 nan 0.000 0.444 360 A N -0.318 122.516 122.820 0.023 0.000 1.873 360 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 360 A C 2.121 179.698 177.584 -0.011 0.000 1.193 360 A CA 2.092 54.164 52.037 0.059 0.000 0.629 360 A CB -0.589 18.462 19.000 0.084 0.000 0.826 360 A HN 0.545 nan 8.150 nan 0.000 0.447 361 K N -0.371 120.017 120.400 -0.021 0.000 2.034 361 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 361 K C 1.770 178.335 176.600 -0.058 0.000 1.051 361 K CA 2.073 58.331 56.287 -0.048 0.000 0.931 361 K CB -0.386 32.094 32.500 -0.033 0.000 0.715 361 K HN 0.696 nan 8.250 nan 0.000 0.446 362 N N 0.215 118.897 118.700 -0.030 0.000 2.381 362 N HA -0.114 4.626 4.740 -0.000 0.000 0.182 362 N C 1.407 176.912 175.510 -0.010 0.000 1.025 362 N CA 0.640 53.681 53.050 -0.015 0.000 0.888 362 N CB 0.112 38.600 38.487 0.003 0.000 0.965 362 N HN 0.164 nan 8.380 nan 0.000 0.438 363 K N 0.404 120.789 120.400 -0.024 0.000 2.116 363 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 363 K C 1.782 178.278 176.600 -0.173 0.000 1.052 363 K CA 0.493 56.796 56.287 0.027 0.000 0.952 363 K CB -0.114 32.470 32.500 0.140 0.000 0.729 363 K HN 0.072 nan 8.250 nan 0.000 0.446 364 L N 2.329 123.292 121.223 -0.433 0.000 1.988 364 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 364 L C 1.855 178.642 176.870 -0.138 0.000 1.071 364 L CA 1.897 56.440 54.840 -0.495 0.000 0.744 364 L CB -0.514 41.305 42.059 -0.400 0.000 0.893 364 L HN -0.039 nan 8.230 nan 0.000 0.433 365 K N -0.349 120.001 120.400 -0.084 0.000 2.034 365 K HA -0.208 4.112 4.320 -0.000 0.000 0.214 365 K C 2.077 178.713 176.600 0.060 0.000 1.051 365 K CA 1.911 58.197 56.287 -0.002 0.000 0.931 365 K CB -0.644 31.847 32.500 -0.016 0.000 0.715 365 K HN 0.503 nan 8.250 nan 0.000 0.446 366 A N 1.013 123.851 122.820 0.030 0.000 1.902 366 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 366 A C 2.461 180.072 177.584 0.045 0.000 1.181 366 A CA 1.971 54.033 52.037 0.042 0.000 0.623 366 A CB -1.347 17.675 19.000 0.038 0.000 0.818 366 A HN 0.459 nan 8.150 nan 0.000 0.443 367 G N -1.555 107.271 108.800 0.043 0.000 2.440 367 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 367 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 367 G C 1.544 176.490 174.900 0.076 0.000 1.154 367 G CA 1.361 46.492 45.100 0.051 0.000 0.767 367 G HN 0.601 nan 8.290 nan 0.000 0.552 368 Y N 1.171 121.466 120.300 -0.008 0.000 2.089 368 Y HA -0.065 4.485 4.550 -0.000 0.000 0.282 368 Y C 2.703 178.614 175.900 0.019 0.000 1.139 368 Y CA 1.519 59.623 58.100 0.007 0.000 1.123 368 Y CB -0.476 37.980 38.460 -0.006 0.000 0.980 368 Y HN 0.093 nan 8.280 nan 0.000 0.493 369 L N -0.330 120.948 121.223 0.092 0.000 2.021 369 L HA -0.364 3.976 4.340 -0.000 0.000 0.215 369 L C 2.574 179.398 176.870 -0.077 0.000 1.074 369 L CA 2.216 57.055 54.840 -0.002 0.000 0.760 369 L CB -0.648 41.452 42.059 0.068 0.000 0.889 369 L HN 0.397 nan 8.230 nan 0.000 0.433 370 M N -0.933 118.640 119.600 -0.045 0.000 2.229 370 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 370 M C 2.518 178.777 176.300 -0.069 0.000 1.063 370 M CA 1.745 57.017 55.300 -0.048 0.000 1.114 370 M CB -0.289 32.291 32.600 -0.033 0.000 1.387 370 M HN 0.315 nan 8.290 nan 0.000 0.420 371 S N 0.390 116.026 115.700 -0.107 0.000 2.447 371 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 371 S C 1.267 175.795 174.600 -0.120 0.000 1.006 371 S CA 1.164 59.298 58.200 -0.110 0.000 0.957 371 S CB -0.349 62.776 63.200 -0.124 0.000 0.773 371 S HN 0.421 nan 8.310 nan 0.000 0.507 372 V N -1.365 118.451 119.914 -0.163 0.000 2.940 372 V HA 0.519 4.639 4.120 -0.000 0.000 0.366 372 V C 1.200 177.297 176.094 0.005 0.000 1.353 372 V CA -0.002 62.272 62.300 -0.044 0.000 1.232 372 V CB -0.254 31.539 31.823 -0.051 0.000 1.278 372 V HN 0.358 nan 8.190 nan 0.000 0.546 373 E N 1.924 122.107 120.200 -0.028 0.000 2.112 373 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 373 E C 1.500 178.085 176.600 -0.025 0.000 0.979 373 E CA 1.034 57.414 56.400 -0.034 0.000 0.814 373 E CB 0.217 29.897 29.700 -0.033 0.000 0.762 373 E HN 0.871 nan 8.360 nan 0.000 0.460 374 S N -1.213 114.488 115.700 0.002 0.000 2.707 374 S HA 0.223 4.693 4.470 -0.000 0.000 0.276 374 S C 1.030 175.664 174.600 0.057 0.000 1.179 374 S CA -0.377 57.832 58.200 0.015 0.000 0.992 374 S CB 1.750 64.961 63.200 0.019 0.000 1.030 374 S HN 0.022 nan 8.310 nan 0.000 0.554 375 S N 0.232 115.968 115.700 0.059 0.000 2.371 375 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 375 S C 1.740 176.425 174.600 0.142 0.000 1.029 375 S CA 0.827 59.096 58.200 0.114 0.000 0.978 375 S CB -0.624 62.621 63.200 0.076 0.000 0.833 375 S HN 0.819 nan 8.310 nan 0.000 0.466 376 E N 0.584 120.838 120.200 0.090 0.000 2.130 376 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 376 E C 2.003 178.659 176.600 0.094 0.000 0.998 376 E CA 1.153 57.602 56.400 0.082 0.000 0.806 376 E CB -0.226 29.504 29.700 0.050 0.000 0.738 376 E HN 0.557 nan 8.360 nan 0.000 0.459 377 G N -0.293 108.562 108.800 0.091 0.000 2.545 377 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 377 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 377 G C 1.211 176.166 174.900 0.092 0.000 1.144 377 G CA 0.006 45.149 45.100 0.071 0.000 0.813 377 G HN 0.258 nan 8.290 nan 0.000 0.531 378 F N 1.284 121.228 119.950 -0.010 0.000 2.084 378 F HA 0.050 4.577 4.527 -0.000 0.000 0.296 378 F C 2.230 178.042 175.800 0.021 0.000 1.111 378 F CA 1.159 59.155 58.000 -0.006 0.000 1.224 378 F CB -0.371 38.622 39.000 -0.011 0.000 0.991 378 F HN 0.076 nan 8.300 nan 0.000 0.471 379 L N 0.685 121.921 121.223 0.022 0.000 2.187 379 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 379 L C 1.826 178.694 176.870 -0.003 0.000 1.100 379 L CA 2.387 57.210 54.840 -0.029 0.000 0.765 379 L CB -0.839 41.311 42.059 0.152 0.000 0.904 379 L HN 0.374 nan 8.230 nan 0.000 0.437 380 D N -1.520 118.916 120.400 0.060 0.000 2.213 380 D HA -0.194 4.446 4.640 -0.000 0.000 0.205 380 D C 2.033 178.290 176.300 -0.071 0.000 0.961 380 D CA 0.809 54.892 54.000 0.138 0.000 0.853 380 D CB 0.120 41.027 40.800 0.178 0.000 0.967 380 D HN 0.385 nan 8.370 nan 0.000 0.496 381 E N 0.033 120.170 120.200 -0.105 0.000 2.028 381 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 381 E C 2.041 178.536 176.600 -0.175 0.000 0.988 381 E CA 1.402 57.745 56.400 -0.095 0.000 0.799 381 E CB -0.454 29.210 29.700 -0.061 0.000 0.755 381 E HN 0.168 nan 8.360 nan 0.000 0.447 382 V N 0.743 120.463 119.914 -0.322 0.000 2.287 382 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 382 V C 2.373 178.253 176.094 -0.357 0.000 1.053 382 V CA 2.059 64.171 62.300 -0.312 0.000 1.027 382 V CB -1.355 30.136 31.823 -0.554 0.000 0.646 382 V HN 0.520 nan 8.190 nan 0.000 0.447 383 G N -0.092 108.291 108.800 -0.695 0.000 2.446 383 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 383 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 383 G C 1.782 176.121 174.900 -0.935 0.000 1.168 383 G CA 1.274 45.504 45.100 -1.450 0.000 0.771 383 G HN 0.569 nan 8.290 nan 0.000 0.551 384 S N 0.204 115.570 115.700 -0.557 0.000 2.406 384 S HA -0.082 4.387 4.470 -0.000 0.000 0.228 384 S C 2.221 176.765 174.600 -0.093 0.000 1.020 384 S CA 1.145 59.231 58.200 -0.189 0.000 0.965 384 S CB -0.233 62.941 63.200 -0.043 0.000 0.798 384 S HN 0.497 nan 8.310 nan 0.000 0.488 385 Q N 1.078 120.828 119.800 -0.084 0.000 2.020 385 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 385 Q C 2.595 178.611 176.000 0.026 0.000 0.982 385 Q CA 1.397 57.194 55.803 -0.011 0.000 0.838 385 Q CB -0.457 28.293 28.738 0.020 0.000 0.899 385 Q HN 0.619 nan 8.270 nan 0.000 0.423 386 A N 0.430 123.274 122.820 0.040 0.000 1.948 386 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 386 A C 1.914 179.545 177.584 0.078 0.000 1.177 386 A CA 1.309 53.433 52.037 0.145 0.000 0.636 386 A CB -0.440 18.612 19.000 0.086 0.000 0.815 386 A HN 0.306 nan 8.150 nan 0.000 0.449 387 L N -1.656 119.573 121.223 0.011 0.000 2.249 387 L HA 0.211 4.551 4.340 -0.000 0.000 0.207 387 L C 2.615 179.519 176.870 0.055 0.000 1.090 387 L CA 1.605 56.467 54.840 0.036 0.000 0.802 387 L CB -0.461 41.622 42.059 0.040 0.000 0.947 387 L HN 0.345 nan 8.230 nan 0.000 0.453 388 A N -1.762 121.086 122.820 0.046 0.000 1.997 388 A HA 0.431 4.751 4.320 -0.000 0.000 0.212 388 A C 2.023 179.634 177.584 0.046 0.000 1.178 388 A CA 0.895 52.963 52.037 0.052 0.000 0.698 388 A CB -0.231 18.796 19.000 0.046 0.000 0.842 388 A HN 0.303 nan 8.150 nan 0.000 0.458 389 A N -2.257 120.588 122.820 0.042 0.000 2.358 389 A HA 0.465 4.785 4.320 -0.000 0.000 0.223 389 A C 1.630 179.246 177.584 0.054 0.000 1.218 389 A CA 1.062 53.117 52.037 0.030 0.000 0.942 389 A CB -0.365 18.631 19.000 -0.006 0.000 1.005 389 A HN 1.746 nan 8.150 nan 0.000 0.514 390 G N 0.335 109.200 108.800 0.109 0.000 2.203 390 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.263 390 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.263 390 G C 0.344 175.392 174.900 0.247 0.000 1.012 390 G CA 1.301 46.519 45.100 0.197 0.000 0.749 390 G HN 1.872 nan 8.290 nan 0.000 0.512 391 S N -1.776 113.962 115.700 0.063 0.000 2.752 391 S HA 0.725 5.195 4.470 -0.000 0.000 0.284 391 S C -0.983 173.354 174.600 -0.438 0.000 1.189 391 S CA -0.648 57.295 58.200 -0.428 0.000 0.835 391 S CB 2.179 65.200 63.200 -0.299 0.000 1.192 391 S HN 1.408 nan 8.310 nan 0.000 0.506 392 Y N 0.811 120.656 120.300 -0.758 0.000 2.338 392 Y HA 0.596 5.146 4.550 -0.000 0.000 0.333 392 Y C -1.017 174.741 175.900 -0.237 0.000 0.968 392 Y CA -0.325 57.546 58.100 -0.382 0.000 1.123 392 Y CB 1.909 40.182 38.460 -0.313 0.000 1.165 392 Y HN 0.798 nan 8.280 nan 0.000 0.452 393 T N 9.019 123.122 114.554 -0.751 0.000 2.758 393 T HA 0.365 4.714 4.350 -0.000 0.000 0.285 393 T C -2.651 171.510 174.700 -0.898 0.000 0.981 393 T CA -1.452 60.268 62.100 -0.633 0.000 0.965 393 T CB 1.229 69.891 68.868 -0.344 0.000 0.927 393 T HN 0.442 nan 8.240 nan 0.000 0.448 394 P HA 0.193 nan 4.420 nan 0.000 0.272 394 P C -1.887 175.337 177.300 -0.127 0.000 1.240 394 P CA -1.469 61.416 63.100 -0.358 0.000 0.791 394 P CB 0.127 31.757 31.700 -0.118 0.000 0.978 395 P HA -0.196 nan 4.420 nan 0.000 0.215 395 P C 1.464 178.778 177.300 0.023 0.000 1.153 395 P CA 1.841 65.027 63.100 0.143 0.000 0.853 395 P CB -0.395 31.421 31.700 0.194 0.000 0.788 396 S N -1.544 114.159 115.700 0.005 0.000 2.399 396 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 396 S C 2.067 176.635 174.600 -0.052 0.000 1.022 396 S CA 1.937 60.127 58.200 -0.016 0.000 0.983 396 S CB -1.924 61.273 63.200 -0.006 0.000 0.803 396 S HN 0.262 nan 8.310 nan 0.000 0.480 397 T N 0.420 114.924 114.554 -0.084 0.000 3.035 397 T HA 0.142 4.492 4.350 -0.000 0.000 0.259 397 T C 1.680 176.296 174.700 -0.139 0.000 1.078 397 T CA 0.751 62.788 62.100 -0.105 0.000 1.132 397 T CB -0.468 68.334 68.868 -0.111 0.000 0.900 397 T HN 0.222 nan 8.240 nan 0.000 0.480 398 V N 1.965 121.767 119.914 -0.186 0.000 2.358 398 V HA -0.037 4.083 4.120 -0.000 0.000 0.246 398 V C 2.761 178.722 176.094 -0.222 0.000 1.047 398 V CA 1.488 63.622 62.300 -0.276 0.000 1.035 398 V CB -0.691 30.826 31.823 -0.510 0.000 0.658 398 V HN 0.483 nan 8.190 nan 0.000 0.452 399 L N -0.144 120.986 121.223 -0.156 0.000 2.042 399 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 399 L C 2.655 179.475 176.870 -0.084 0.000 1.076 399 L CA 2.228 57.008 54.840 -0.100 0.000 0.749 399 L CB -0.734 41.298 42.059 -0.046 0.000 0.893 399 L HN 0.456 nan 8.230 nan 0.000 0.432 400 Q N 0.140 119.892 119.800 -0.079 0.000 2.124 400 Q HA -0.270 4.070 4.340 -0.000 0.000 0.202 400 Q C 2.204 178.160 176.000 -0.073 0.000 0.977 400 Q CA 1.690 57.453 55.803 -0.066 0.000 0.850 400 Q CB 0.033 28.733 28.738 -0.062 0.000 0.901 400 Q HN 0.499 nan 8.270 nan 0.000 0.429 401 Q N -0.038 119.705 119.800 -0.096 0.000 2.079 401 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 401 Q C 2.006 177.955 176.000 -0.085 0.000 0.974 401 Q CA 1.576 57.323 55.803 -0.093 0.000 0.840 401 Q CB 0.025 28.694 28.738 -0.115 0.000 0.898 401 Q HN 0.463 nan 8.270 nan 0.000 0.430 402 I N 0.557 121.068 120.570 -0.098 0.000 2.252 402 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 402 I C 1.603 177.682 176.117 -0.064 0.000 1.102 402 I CA 0.935 62.185 61.300 -0.084 0.000 1.385 402 I CB -0.148 37.793 38.000 -0.098 0.000 1.064 402 I HN 0.135 nan 8.210 nan 0.000 0.414 403 D N 1.031 121.394 120.400 -0.061 0.000 2.182 403 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 403 D C 2.044 178.319 176.300 -0.043 0.000 0.986 403 D CA 1.438 55.410 54.000 -0.047 0.000 0.847 403 D CB -0.043 40.732 40.800 -0.042 0.000 0.942 403 D HN 0.361 nan 8.370 nan 0.000 0.467 404 A N 0.232 123.024 122.820 -0.047 0.000 2.235 404 A HA 0.091 4.411 4.320 -0.000 0.000 0.208 404 A C 0.887 178.446 177.584 -0.043 0.000 1.172 404 A CA -0.049 51.963 52.037 -0.042 0.000 0.786 404 A CB 0.098 19.073 19.000 -0.042 0.000 0.804 404 A HN 0.005 nan 8.150 nan 0.000 0.479 405 V N 1.072 120.958 119.914 -0.047 0.000 2.521 405 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 405 V C 0.751 176.817 176.094 -0.047 0.000 1.034 405 V CA -0.013 62.257 62.300 -0.050 0.000 1.045 405 V CB 0.465 32.255 31.823 -0.054 0.000 0.974 405 V HN 0.482 nan 8.190 nan 0.000 0.480 406 A N 3.362 126.153 122.820 -0.049 0.000 2.303 406 A HA 0.492 4.812 4.320 -0.000 0.000 0.317 406 A C 0.916 178.469 177.584 -0.051 0.000 1.149 406 A CA -0.557 51.454 52.037 -0.044 0.000 0.822 406 A CB 0.487 19.464 19.000 -0.039 0.000 1.131 406 A HN 0.828 nan 8.150 nan 0.000 0.493 407 D N 1.658 122.032 120.400 -0.042 0.000 2.157 407 D HA -0.240 4.400 4.640 -0.000 0.000 0.191 407 D C 2.096 178.364 176.300 -0.054 0.000 1.004 407 D CA 2.552 56.526 54.000 -0.043 0.000 0.854 407 D CB -0.263 40.518 40.800 -0.031 0.000 0.936 407 D HN 0.675 nan 8.370 nan 0.000 0.446 408 A N 0.780 123.571 122.820 -0.049 0.000 1.972 408 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 408 A C 1.752 179.290 177.584 -0.077 0.000 1.169 408 A CA 1.747 53.752 52.037 -0.053 0.000 0.635 408 A CB -0.364 18.611 19.000 -0.041 0.000 0.810 408 A HN 0.126 nan 8.150 nan 0.000 0.446 409 D N -0.112 120.237 120.400 -0.085 0.000 2.117 409 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 409 D C 2.075 178.262 176.300 -0.189 0.000 0.987 409 D CA 1.515 55.444 54.000 -0.118 0.000 0.829 409 D CB -0.392 40.346 40.800 -0.102 0.000 0.961 409 D HN 0.264 nan 8.370 nan 0.000 0.460 410 V N 1.580 121.394 119.914 -0.167 0.000 2.295 410 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 410 V C 2.601 178.575 176.094 -0.199 0.000 1.049 410 V CA 1.094 63.271 62.300 -0.205 0.000 1.024 410 V CB -0.372 31.375 31.823 -0.126 0.000 0.648 410 V HN 0.150 nan 8.190 nan 0.000 0.447 411 I N 0.468 120.963 120.570 -0.124 0.000 2.208 411 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 411 I C 2.405 178.458 176.117 -0.106 0.000 1.097 411 I CA 1.564 62.810 61.300 -0.090 0.000 1.363 411 I CB -0.562 37.405 38.000 -0.056 0.000 1.051 411 I HN 0.378 nan 8.210 nan 0.000 0.413 412 N N 1.068 119.694 118.700 -0.124 0.000 2.166 412 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 412 N C 1.939 177.339 175.510 -0.183 0.000 1.019 412 N CA 1.596 54.577 53.050 -0.115 0.000 0.856 412 N CB -0.306 38.125 38.487 -0.093 0.000 0.993 412 N HN 0.378 nan 8.380 nan 0.000 0.426 413 A N 1.409 123.990 122.820 -0.399 0.000 1.865 413 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 413 A C 2.451 179.787 177.584 -0.413 0.000 1.191 413 A CA 2.157 53.693 52.037 -0.834 0.000 0.623 413 A CB -0.958 17.126 19.000 -1.525 0.000 0.826 413 A HN 0.327 nan 8.150 nan 0.000 0.444 414 A N -0.607 122.051 122.820 -0.269 0.000 1.883 414 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 414 A C 2.163 179.826 177.584 0.132 0.000 1.186 414 A CA 2.024 54.054 52.037 -0.011 0.000 0.624 414 A CB -0.531 18.470 19.000 0.002 0.000 0.822 414 A HN 0.509 nan 8.150 nan 0.000 0.444 415 K N -0.508 119.919 120.400 0.046 0.000 2.103 415 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 415 K C 2.192 178.857 176.600 0.108 0.000 1.048 415 K CA 1.859 58.186 56.287 0.067 0.000 0.930 415 K CB -0.155 32.356 32.500 0.018 0.000 0.716 415 K HN 0.522 nan 8.250 nan 0.000 0.444 416 K N -0.160 120.316 120.400 0.126 0.000 2.148 416 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 416 K C 1.954 178.699 176.600 0.243 0.000 1.050 416 K CA 0.997 57.389 56.287 0.174 0.000 0.942 416 K CB -0.132 32.515 32.500 0.246 0.000 0.724 416 K HN 0.074 nan 8.250 nan 0.000 0.446 417 F N 0.558 120.626 119.950 0.197 0.000 2.163 417 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 417 F C 1.583 177.525 175.800 0.236 0.000 1.094 417 F CA 0.922 59.074 58.000 0.253 0.000 1.290 417 F CB -0.294 38.939 39.000 0.388 0.000 1.017 417 F HN -0.231 nan 8.300 nan 0.000 0.483 418 V N 0.524 120.504 119.914 0.111 0.000 2.295 418 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 418 V C 2.405 178.488 176.094 -0.020 0.000 1.049 418 V CA 2.204 64.522 62.300 0.031 0.000 1.024 418 V CB -1.111 30.787 31.823 0.124 0.000 0.648 418 V HN 0.571 nan 8.190 nan 0.000 0.447 419 S N -0.350 115.355 115.700 0.009 0.000 2.593 419 S HA 0.237 4.707 4.470 -0.000 0.000 0.217 419 S C 0.948 175.540 174.600 -0.012 0.000 0.966 419 S CA 0.292 58.494 58.200 0.003 0.000 0.914 419 S CB -0.014 63.198 63.200 0.020 0.000 0.776 419 S HN 0.547 nan 8.310 nan 0.000 0.523 420 G N 0.989 109.765 108.800 -0.040 0.000 2.451 420 G HA2 0.546 4.506 3.960 -0.000 0.000 0.303 420 G HA3 0.546 4.506 3.960 -0.000 0.000 0.303 420 G C -0.533 174.337 174.900 -0.049 0.000 1.166 420 G CA -1.175 43.902 45.100 -0.039 0.000 0.884 420 G HN 0.314 nan 8.290 nan 0.000 0.514 421 R N 0.256 120.761 120.500 0.008 0.000 2.522 421 R HA 0.204 4.544 4.340 -0.000 0.000 0.284 421 R C 0.144 176.484 176.300 0.066 0.000 1.032 421 R CA 0.207 56.336 56.100 0.048 0.000 1.049 421 R CB 0.323 30.699 30.300 0.126 0.000 0.956 421 R HN 0.298 nan 8.270 nan 0.000 0.422 422 K N 0.736 121.124 120.400 -0.021 0.000 2.109 422 K HA 0.425 4.745 4.320 -0.000 0.000 0.243 422 K C -0.864 175.705 176.600 -0.051 0.000 1.006 422 K CA -0.187 56.066 56.287 -0.057 0.000 0.917 422 K CB 1.782 34.185 32.500 -0.162 0.000 1.081 422 K HN 0.442 nan 8.250 nan 0.000 0.468 423 S N 0.828 116.487 115.700 -0.070 0.000 2.619 423 S HA 0.519 4.989 4.470 -0.000 0.000 0.280 423 S C -1.324 173.188 174.600 -0.146 0.000 1.150 423 S CA -0.734 57.397 58.200 -0.116 0.000 0.978 423 S CB 0.796 63.940 63.200 -0.093 0.000 1.041 423 S HN 0.476 nan 8.310 nan 0.000 0.485 424 M N 2.968 122.479 119.600 -0.147 0.000 2.393 424 M HA 0.751 5.231 4.480 -0.000 0.000 0.299 424 M C -1.382 174.832 176.300 -0.144 0.000 1.103 424 M CA -0.560 54.640 55.300 -0.167 0.000 0.910 424 M CB 1.850 34.356 32.600 -0.158 0.000 1.659 424 M HN 0.758 nan 8.290 nan 0.000 0.445 425 A N 2.772 125.493 122.820 -0.166 0.000 2.386 425 A HA 1.005 5.325 4.320 -0.000 0.000 0.311 425 A C -1.538 175.955 177.584 -0.153 0.000 1.068 425 A CA -0.499 51.462 52.037 -0.126 0.000 0.743 425 A CB 1.638 20.581 19.000 -0.095 0.000 1.258 425 A HN 0.960 nan 8.150 nan 0.000 0.429 426 A N 0.998 123.745 122.820 -0.121 0.000 2.547 426 A HA 0.845 5.165 4.320 -0.000 0.000 0.297 426 A C -0.482 177.048 177.584 -0.089 0.000 1.056 426 A CA 0.158 52.121 52.037 -0.125 0.000 0.688 426 A CB 1.247 20.158 19.000 -0.149 0.000 1.282 426 A HN 2.249 nan 8.150 nan 0.000 0.400 427 S N 0.602 116.263 115.700 -0.064 0.000 2.546 427 S HA 0.988 5.458 4.470 -0.000 0.000 0.274 427 S C 0.024 174.604 174.600 -0.033 0.000 1.121 427 S CA 0.034 58.195 58.200 -0.065 0.000 0.887 427 S CB 1.467 64.604 63.200 -0.106 0.000 1.094 427 S HN 2.809 nan 8.310 nan 0.000 0.474 428 G N 1.688 110.462 108.800 -0.043 0.000 2.278 428 G HA2 0.062 4.021 3.960 -0.000 0.000 0.265 428 G HA3 0.062 4.021 3.960 -0.000 0.000 0.265 428 G C -1.625 173.259 174.900 -0.027 0.000 1.329 428 G CA -0.877 44.212 45.100 -0.018 0.000 1.017 428 G HN 0.871 nan 8.290 nan 0.000 0.472 429 N N 1.239 119.932 118.700 -0.013 0.000 2.415 429 N HA 0.323 5.063 4.740 -0.000 0.000 0.246 429 N C 1.359 176.860 175.510 -0.015 0.000 1.078 429 N CA -0.285 52.759 53.050 -0.009 0.000 0.942 429 N CB 0.513 39.006 38.487 0.010 0.000 1.140 429 N HN 0.457 nan 8.380 nan 0.000 0.501 430 L N 2.191 123.387 121.223 -0.046 0.000 2.591 430 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 430 L C 2.169 178.982 176.870 -0.096 0.000 1.133 430 L CA -0.013 54.776 54.840 -0.086 0.000 0.880 430 L CB -0.145 41.829 42.059 -0.141 0.000 1.033 430 L HN 0.528 nan 8.230 nan 0.000 0.450 431 G N -0.273 108.495 108.800 -0.052 0.000 2.581 431 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.223 431 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.223 431 G C 0.856 175.576 174.900 -0.301 0.000 1.094 431 G CA 0.952 45.984 45.100 -0.113 0.000 0.736 431 G HN 0.511 nan 8.290 nan 0.000 0.588 432 H N -1.301 117.732 119.070 -0.062 0.000 2.649 432 H HA 0.300 4.856 4.556 -0.000 0.000 0.258 432 H C -0.149 175.132 175.328 -0.078 0.000 1.165 432 H CA -0.249 55.766 56.048 -0.055 0.000 1.006 432 H CB 0.722 30.458 29.762 -0.043 0.000 1.743 432 H HN 0.064 nan 8.280 nan 0.000 0.609 433 T N 4.438 118.952 114.554 -0.066 0.000 2.744 433 T HA 0.197 4.547 4.350 -0.000 0.000 0.291 433 T C -2.305 172.287 174.700 -0.180 0.000 0.957 433 T CA -1.469 60.564 62.100 -0.112 0.000 1.002 433 T CB 1.416 70.193 68.868 -0.151 0.000 0.919 433 T HN 0.142 nan 8.240 nan 0.000 0.468 434 P HA 0.105 nan 4.420 nan 0.000 0.269 434 P C 0.152 177.380 177.300 -0.120 0.000 1.217 434 P CA -0.265 62.800 63.100 -0.057 0.000 0.783 434 P CB 0.749 32.455 31.700 0.009 0.000 0.898 435 F N 0.578 120.507 119.950 -0.034 0.000 2.473 435 F HA 0.128 4.655 4.527 -0.000 0.000 0.294 435 F C 2.135 177.900 175.800 -0.058 0.000 1.103 435 F CA 0.759 58.732 58.000 -0.046 0.000 1.442 435 F CB 0.067 39.042 39.000 -0.042 0.000 1.097 435 F HN 0.291 nan 8.300 nan 0.000 0.547 436 I N -2.107 118.543 120.570 0.134 0.000 4.599 436 I HA -0.398 3.772 4.170 -0.000 0.000 0.200 436 I C 1.388 177.536 176.117 0.050 0.000 0.825 436 I CA 0.628 61.950 61.300 0.037 0.000 1.608 436 I CB -0.911 37.094 38.000 0.009 0.000 2.812 436 I HN -0.206 nan 8.210 nan 0.000 0.777 437 D N 1.609 122.043 120.400 0.056 0.000 2.339 437 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 437 D C 1.272 177.603 176.300 0.051 0.000 1.022 437 D CA 2.512 56.530 54.000 0.030 0.000 0.884 437 D CB -0.061 40.746 40.800 0.012 0.000 0.916 437 D HN 0.646 nan 8.370 nan 0.000 0.453 438 E N -0.811 119.442 120.200 0.088 0.000 2.419 438 E HA 0.192 4.542 4.350 -0.000 0.000 0.190 438 E C 0.442 177.098 176.600 0.094 0.000 1.040 438 E CA -0.347 56.104 56.400 0.085 0.000 0.900 438 E CB 0.598 30.359 29.700 0.102 0.000 1.054 438 E HN 0.296 nan 8.360 nan 0.000 0.462 439 L N 0.000 121.288 121.223 0.108 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.946 54.840 0.177 0.000 0.813 439 L CB 0.000 42.139 42.059 0.134 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502