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 3hpy_1_D DATA FIRST_RESID 2 DATA SEQUENCE AMTGVLRPGH AQVRVLNLEE GIHFYRNVLG LVETGRDDQG RVYFKCWDER DATA SEQUENCE DHSCYIIREA DTAGIDFFGF KVLDKATLEK LDADLQAYGL TTTRIPAGEM DATA SEQUENCE LETGERVRFE LPSGHLIELY AEKTCVGNGI SEVNPAPWNA QREHGIAPIQ DATA SEQUENCE LDHCLLYGPN IAEVQKIFTE VLGFYLVERV LSPDGDSDMG IWLSCSHKVH DATA SEQUENCE DIAFVEYPEK GKLHHCSFLL ESWEQVLRAG DIMSMNEVNV DIGPTRHGVT DATA SEQUENCE RGCTIYAWDP SGNRFETFMG GYHPYPDYEP LSWTYDNFAQ GLDYPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.603 177.584 0.032 0.000 1.274 2 A CA 0.000 52.058 52.037 0.035 0.000 0.836 2 A CB 0.000 19.012 19.000 0.020 0.000 0.831 3 M N 2.767 122.382 119.600 0.026 0.000 2.146 3 M HA 0.476 4.955 4.480 -0.000 0.000 0.357 3 M C 0.498 176.793 176.300 -0.009 0.000 1.261 3 M CA 0.434 55.737 55.300 0.004 0.000 1.106 3 M CB 0.424 33.022 32.600 -0.004 0.000 1.612 3 M HN 1.075 nan 8.290 nan 0.000 0.470 4 T N -0.268 114.273 114.554 -0.021 0.000 2.669 4 T HA 0.864 5.214 4.350 -0.000 0.000 0.283 4 T C 0.615 175.292 174.700 -0.039 0.000 1.019 4 T CA -0.120 61.966 62.100 -0.023 0.000 1.039 4 T CB 1.299 70.159 68.868 -0.013 0.000 1.374 4 T HN 0.864 nan 8.240 nan 0.000 0.523 5 G N 0.283 109.064 108.800 -0.032 0.000 2.622 5 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.307 5 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.307 5 G C -0.082 174.788 174.900 -0.050 0.000 1.226 5 G CA 0.097 45.176 45.100 -0.036 0.000 0.997 5 G HN 1.556 nan 8.290 nan 0.000 0.551 6 V N 2.544 122.417 119.914 -0.068 0.000 2.427 6 V HA 0.360 4.480 4.120 -0.000 0.000 0.268 6 V C 1.731 177.748 176.094 -0.127 0.000 1.046 6 V CA 0.433 62.687 62.300 -0.077 0.000 0.970 6 V CB 0.926 32.712 31.823 -0.063 0.000 1.001 6 V HN 0.594 nan 8.190 nan 0.000 0.476 7 L N 4.705 125.883 121.223 -0.076 0.000 2.071 7 L HA 0.248 4.588 4.340 -0.000 0.000 0.201 7 L C 1.153 177.996 176.870 -0.044 0.000 1.076 7 L CA 0.944 55.740 54.840 -0.073 0.000 0.755 7 L CB -0.149 41.876 42.059 -0.057 0.000 0.915 7 L HN 0.771 nan 8.230 nan 0.000 0.445 8 R N -0.947 119.583 120.500 0.051 0.000 2.752 8 R HA 0.355 4.694 4.340 -0.000 0.000 0.277 8 R C -3.206 173.261 176.300 0.278 0.000 1.024 8 R CA -1.708 54.479 56.100 0.144 0.000 0.866 8 R CB 0.248 30.568 30.300 0.034 0.000 1.278 8 R HN -0.290 nan 8.270 nan 0.000 0.473 9 P HA 0.115 nan 4.420 nan 0.000 0.264 9 P C 0.223 177.387 177.300 -0.226 0.000 1.193 9 P CA 0.761 63.763 63.100 -0.163 0.000 0.763 9 P CB 0.630 32.312 31.700 -0.031 0.000 0.810 10 G N 2.108 110.672 108.800 -0.393 0.000 2.641 10 G HA2 0.089 4.048 3.960 -0.000 0.000 0.207 10 G HA3 0.089 4.048 3.960 -0.000 0.000 0.207 10 G C 0.003 174.836 174.900 -0.112 0.000 1.137 10 G CA 0.315 45.329 45.100 -0.143 0.000 0.824 10 G HN 0.746 nan 8.290 nan 0.000 0.547 11 H N -2.642 116.251 119.070 -0.295 0.000 3.060 11 H HA 0.635 5.190 4.556 -0.000 0.000 0.330 11 H C -1.722 173.330 175.328 -0.460 0.000 1.305 11 H CA -0.802 55.093 56.048 -0.254 0.000 1.209 11 H CB 1.288 31.011 29.762 -0.064 0.000 1.913 11 H HN 0.271 nan 8.280 nan 0.000 0.534 12 A N 2.231 124.979 122.820 -0.120 0.000 2.359 12 A HA 0.350 4.670 4.320 -0.000 0.000 0.303 12 A C -0.819 176.464 177.584 -0.502 0.000 1.066 12 A CA -0.737 51.197 52.037 -0.171 0.000 0.730 12 A CB 2.190 21.254 19.000 0.108 0.000 1.211 12 A HN 0.684 nan 8.150 nan 0.000 0.439 13 Q N 2.166 121.531 119.800 -0.725 0.000 2.347 13 Q HA 0.611 4.951 4.340 -0.000 0.000 0.262 13 Q C -1.484 174.124 176.000 -0.655 0.000 0.980 13 Q CA -0.379 54.900 55.803 -0.874 0.000 0.867 13 Q CB 1.345 29.282 28.738 -1.334 0.000 1.242 13 Q HN 0.565 nan 8.270 nan 0.000 0.453 14 V N 4.179 123.734 119.914 -0.599 0.000 2.628 14 V HA 0.517 4.636 4.120 -0.000 0.000 0.306 14 V C -0.260 175.690 176.094 -0.241 0.000 1.045 14 V CA -0.896 61.184 62.300 -0.367 0.000 0.905 14 V CB 1.922 33.557 31.823 -0.314 0.000 0.997 14 V HN 0.785 nan 8.190 nan 0.000 0.436 15 R N 2.149 122.567 120.500 -0.138 0.000 2.297 15 R HA 0.652 4.992 4.340 -0.000 0.000 0.308 15 R C -0.707 175.577 176.300 -0.027 0.000 1.029 15 R CA -0.410 55.641 56.100 -0.082 0.000 0.929 15 R CB 1.600 31.863 30.300 -0.061 0.000 1.046 15 R HN 0.663 nan 8.270 nan 0.000 0.461 16 V N 0.811 120.721 119.914 -0.007 0.000 2.769 16 V HA 0.289 4.408 4.120 -0.000 0.000 0.312 16 V C 0.577 176.677 176.094 0.010 0.000 1.061 16 V CA -0.962 61.354 62.300 0.027 0.000 0.931 16 V CB 1.694 33.564 31.823 0.079 0.000 1.010 16 V HN 0.583 nan 8.190 nan 0.000 0.433 17 L N 2.286 123.510 121.223 0.002 0.000 2.465 17 L HA 0.275 4.615 4.340 -0.000 0.000 0.224 17 L C 1.066 177.937 176.870 0.002 0.000 1.145 17 L CA 1.196 56.032 54.840 -0.006 0.000 0.834 17 L CB -1.037 41.010 42.059 -0.019 0.000 0.944 17 L HN 1.003 nan 8.230 nan 0.000 0.451 18 N N -0.958 117.751 118.700 0.015 0.000 2.616 18 N HA 0.071 4.811 4.740 -0.000 0.000 0.281 18 N C 0.505 176.047 175.510 0.053 0.000 1.145 18 N CA -0.265 52.801 53.050 0.026 0.000 0.919 18 N CB 0.849 39.346 38.487 0.017 0.000 1.509 18 N HN -0.030 nan 8.380 nan 0.000 0.537 19 L N 2.314 123.571 121.223 0.056 0.000 2.187 19 L HA -0.144 4.195 4.340 -0.000 0.000 0.213 19 L C 1.672 178.610 176.870 0.112 0.000 1.100 19 L CA 1.361 56.251 54.840 0.084 0.000 0.765 19 L CB 0.029 42.125 42.059 0.061 0.000 0.904 19 L HN 0.651 nan 8.230 nan 0.000 0.437 20 E N -0.067 120.186 120.200 0.089 0.000 2.028 20 E HA -0.210 4.139 4.350 -0.000 0.000 0.190 20 E C 1.901 178.582 176.600 0.136 0.000 0.984 20 E CA 1.034 57.496 56.400 0.103 0.000 0.800 20 E CB -0.337 29.404 29.700 0.067 0.000 0.758 20 E HN 0.537 nan 8.360 nan 0.000 0.448 21 E N 0.470 120.733 120.200 0.104 0.000 2.209 21 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 21 E C 2.015 178.710 176.600 0.159 0.000 0.993 21 E CA 0.926 57.393 56.400 0.112 0.000 0.819 21 E CB -0.205 29.521 29.700 0.043 0.000 0.745 21 E HN 0.331 nan 8.360 nan 0.000 0.477 22 G N 1.146 110.049 108.800 0.172 0.000 2.394 22 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.214 22 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.214 22 G C 1.578 176.703 174.900 0.376 0.000 1.176 22 G CA 0.317 45.577 45.100 0.268 0.000 0.786 22 G HN 0.105 nan 8.290 nan 0.000 0.533 23 I N 0.146 120.930 120.570 0.357 0.000 2.226 23 I HA -0.211 3.958 4.170 -0.000 0.000 0.245 23 I C 2.585 178.889 176.117 0.312 0.000 1.100 23 I CA 1.402 62.959 61.300 0.429 0.000 1.374 23 I CB -0.375 37.815 38.000 0.316 0.000 1.057 23 I HN 0.257 nan 8.210 nan 0.000 0.413 24 H N 0.761 119.934 119.070 0.172 0.000 2.389 24 H HA -0.229 4.327 4.556 -0.000 0.000 0.299 24 H C 2.186 177.542 175.328 0.046 0.000 1.081 24 H CA 1.778 57.890 56.048 0.106 0.000 1.345 24 H CB -0.127 29.681 29.762 0.077 0.000 1.393 24 H HN 0.342 nan 8.280 nan 0.000 0.520 25 F N 0.680 120.553 119.950 -0.128 0.000 2.113 25 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 25 F C 1.808 177.273 175.800 -0.559 0.000 1.103 25 F CA 1.252 59.034 58.000 -0.362 0.000 1.248 25 F CB -0.551 38.209 39.000 -0.401 0.000 0.999 25 F HN 0.042 nan 8.300 nan 0.000 0.475 26 Y N -0.132 119.992 120.300 -0.294 0.000 2.395 26 Y HA -0.031 4.519 4.550 -0.000 0.000 0.293 26 Y C 2.516 177.999 175.900 -0.694 0.000 1.123 26 Y CA 1.393 59.086 58.100 -0.679 0.000 1.227 26 Y CB -0.506 37.428 38.460 -0.877 0.000 1.012 26 Y HN 0.008 nan 8.280 nan 0.000 0.552 27 R N -0.225 120.125 120.500 -0.249 0.000 2.210 27 R HA 0.045 4.384 4.340 -0.000 0.000 0.203 27 R C 1.100 177.371 176.300 -0.047 0.000 1.010 27 R CA 1.289 57.387 56.100 -0.002 0.000 1.008 27 R CB 0.010 30.479 30.300 0.281 0.000 0.923 27 R HN 0.216 nan 8.270 nan 0.000 0.469 28 N N -1.848 116.659 118.700 -0.320 0.000 2.460 28 N HA 0.074 4.814 4.740 -0.000 0.000 0.193 28 N C 0.885 176.057 175.510 -0.562 0.000 1.080 28 N CA 0.453 53.246 53.050 -0.428 0.000 0.869 28 N CB 0.846 38.972 38.487 -0.601 0.000 1.201 28 N HN -0.094 nan 8.380 nan 0.000 0.457 29 V N 0.407 119.897 119.914 -0.707 0.000 2.403 29 V HA 0.042 4.162 4.120 -0.000 0.000 0.239 29 V C 1.842 177.511 176.094 -0.708 0.000 1.041 29 V CA 0.770 62.633 62.300 -0.728 0.000 1.051 29 V CB -0.407 30.792 31.823 -1.040 0.000 0.704 29 V HN 0.187 nan 8.190 nan 0.000 0.472 30 L N 1.678 122.339 121.223 -0.936 0.000 2.217 30 L HA 0.265 4.604 4.340 -0.000 0.000 0.211 30 L C 1.536 178.143 176.870 -0.438 0.000 1.107 30 L CA 1.828 56.246 54.840 -0.703 0.000 0.783 30 L CB -0.824 40.700 42.059 -0.890 0.000 0.919 30 L HN 0.587 nan 8.230 nan 0.000 0.442 31 G N -0.517 108.061 108.800 -0.371 0.000 2.182 31 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 31 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 31 G C -0.038 174.845 174.900 -0.028 0.000 1.042 31 G CA 0.331 45.354 45.100 -0.129 0.000 0.775 31 G HN 0.277 nan 8.290 nan 0.000 0.501 32 L N -0.451 120.688 121.223 -0.140 0.000 2.456 32 L HA 0.654 4.994 4.340 -0.000 0.000 0.257 32 L C 0.861 177.843 176.870 0.187 0.000 1.162 32 L CA -0.628 54.186 54.840 -0.045 0.000 0.808 32 L CB 1.614 43.490 42.059 -0.305 0.000 1.136 32 L HN 0.043 nan 8.230 nan 0.000 0.466 33 V N 1.353 121.443 119.914 0.293 0.000 2.347 33 V HA 0.267 4.386 4.120 -0.000 0.000 0.280 33 V C 0.112 176.395 176.094 0.315 0.000 1.021 33 V CA -0.879 61.583 62.300 0.269 0.000 0.847 33 V CB 1.206 33.138 31.823 0.181 0.000 0.990 33 V HN 0.699 nan 8.190 nan 0.000 0.444 34 E N 2.849 123.172 120.200 0.206 0.000 2.324 34 E HA 0.142 4.492 4.350 -0.000 0.000 0.271 34 E C 0.792 177.295 176.600 -0.162 0.000 1.028 34 E CA 0.325 56.593 56.400 -0.220 0.000 0.890 34 E CB 1.080 30.593 29.700 -0.312 0.000 1.004 34 E HN 0.884 nan 8.360 nan 0.000 0.431 35 T N 0.559 114.970 114.554 -0.238 0.000 2.985 35 T HA 0.420 4.770 4.350 -0.000 0.000 0.254 35 T C 0.545 175.153 174.700 -0.152 0.000 1.021 35 T CA 0.114 62.051 62.100 -0.272 0.000 0.957 35 T CB 0.814 69.273 68.868 -0.681 0.000 1.047 35 T HN 0.466 nan 8.240 nan 0.000 0.511 36 G N 0.365 109.107 108.800 -0.097 0.000 2.356 36 G HA2 0.596 4.556 3.960 -0.000 0.000 0.294 36 G HA3 0.596 4.556 3.960 -0.000 0.000 0.294 36 G C -2.170 172.771 174.900 0.070 0.000 1.423 36 G CA -1.206 43.890 45.100 -0.006 0.000 0.806 36 G HN 0.291 nan 8.290 nan 0.000 0.527 37 R N 0.375 120.913 120.500 0.065 0.000 2.515 37 R HA 0.415 4.754 4.340 -0.000 0.000 0.278 37 R C -1.406 174.950 176.300 0.094 0.000 1.107 37 R CA -0.828 55.344 56.100 0.120 0.000 0.945 37 R CB 2.205 32.529 30.300 0.039 0.000 1.219 37 R HN 0.801 nan 8.270 nan 0.000 0.434 38 D N -0.102 120.401 120.400 0.171 0.000 2.478 38 D HA 0.079 4.719 4.640 -0.000 0.000 0.263 38 D C 0.439 176.775 176.300 0.061 0.000 1.153 38 D CA -0.716 53.343 54.000 0.099 0.000 1.038 38 D CB 0.597 41.490 40.800 0.155 0.000 1.120 38 D HN 0.493 nan 8.370 nan 0.000 0.564 39 D N -1.683 118.739 120.400 0.037 0.000 2.371 39 D HA -0.135 4.505 4.640 -0.000 0.000 0.221 39 D C 1.058 177.373 176.300 0.026 0.000 0.986 39 D CA 0.704 54.718 54.000 0.024 0.000 0.899 39 D CB -0.392 40.416 40.800 0.013 0.000 0.902 39 D HN 0.461 nan 8.370 nan 0.000 0.530 40 Q N -0.272 119.550 119.800 0.036 0.000 2.360 40 Q HA 0.257 4.597 4.340 -0.000 0.000 0.202 40 Q C 0.934 176.944 176.000 0.017 0.000 0.915 40 Q CA 0.299 56.117 55.803 0.026 0.000 0.943 40 Q CB 0.491 29.247 28.738 0.030 0.000 1.064 40 Q HN 0.431 nan 8.270 nan 0.000 0.511 41 G N 1.585 110.399 108.800 0.023 0.000 2.149 41 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.235 41 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.235 41 G C -0.381 174.517 174.900 -0.004 0.000 1.018 41 G CA -0.265 44.842 45.100 0.013 0.000 0.728 41 G HN 0.199 nan 8.290 nan 0.000 0.508 42 R N -0.865 119.633 120.500 -0.003 0.000 2.514 42 R HA 0.703 5.043 4.340 -0.000 0.000 0.301 42 R C -0.259 176.005 176.300 -0.060 0.000 0.962 42 R CA -0.712 55.333 56.100 -0.092 0.000 0.882 42 R CB 2.758 32.926 30.300 -0.219 0.000 1.143 42 R HN 0.371 nan 8.270 nan 0.000 0.452 43 V N 4.357 124.195 119.914 -0.127 0.000 2.398 43 V HA 0.445 4.565 4.120 -0.000 0.000 0.286 43 V C -1.280 174.659 176.094 -0.259 0.000 1.026 43 V CA -0.562 61.667 62.300 -0.117 0.000 0.868 43 V CB 0.724 32.465 31.823 -0.137 0.000 0.982 43 V HN 0.591 nan 8.190 nan 0.000 0.443 44 Y N 6.487 126.621 120.300 -0.277 0.000 2.334 44 Y HA 0.691 5.240 4.550 -0.000 0.000 0.328 44 Y C -0.120 175.545 175.900 -0.391 0.000 1.130 44 Y CA -0.634 57.345 58.100 -0.201 0.000 1.163 44 Y CB 1.349 39.775 38.460 -0.057 0.000 1.207 44 Y HN 0.599 nan 8.280 nan 0.000 0.471 45 F N 1.139 121.156 119.950 0.111 0.000 2.629 45 F HA 0.642 5.168 4.527 -0.000 0.000 0.316 45 F C -0.618 175.236 175.800 0.090 0.000 1.081 45 F CA -1.232 56.816 58.000 0.080 0.000 0.954 45 F CB 2.498 41.553 39.000 0.092 0.000 1.337 45 F HN 0.339 nan 8.300 nan 0.000 0.474 46 K N 0.110 120.690 120.400 0.300 0.000 2.551 46 K HA 0.684 5.004 4.320 -0.000 0.000 0.269 46 K C -1.821 174.886 176.600 0.178 0.000 0.949 46 K CA -0.768 55.639 56.287 0.200 0.000 0.849 46 K CB 1.491 34.056 32.500 0.108 0.000 1.411 46 K HN 0.626 nan 8.250 nan 0.000 0.432 47 C N 2.551 121.934 119.300 0.138 0.000 2.657 47 C HA 0.138 4.597 4.460 -0.000 0.000 0.404 47 C C 1.991 177.018 174.990 0.062 0.000 1.291 47 C CA -0.513 58.559 59.018 0.091 0.000 2.218 47 C CB -0.391 27.369 27.740 0.034 0.000 2.687 47 C HN 1.084 nan 8.230 nan 0.000 0.634 48 W N 1.433 122.780 121.300 0.078 0.000 2.342 48 W HA -0.122 4.538 4.660 0.000 0.000 0.297 48 W C 1.070 177.638 176.519 0.082 0.000 1.213 48 W CA 1.814 59.203 57.345 0.073 0.000 1.251 48 W CB -0.799 28.703 29.460 0.069 0.000 1.136 48 W HN 0.656 nan 8.180 nan 0.000 0.526 49 D N 0.729 120.528 120.400 -1.002 0.000 2.323 49 D HA -0.022 4.618 4.640 -0.000 0.000 0.209 49 D C 0.505 176.600 176.300 -0.342 0.000 0.973 49 D CA 0.434 53.877 54.000 -0.929 0.000 0.874 49 D CB 0.005 39.923 40.800 -1.469 0.000 0.930 49 D HN 0.258 nan 8.370 nan 0.000 0.521 50 E N -0.387 119.685 120.200 -0.213 0.000 2.416 50 E HA 0.161 4.511 4.350 -0.000 0.000 0.254 50 E C 1.190 177.779 176.600 -0.018 0.000 1.241 50 E CA -0.045 56.308 56.400 -0.078 0.000 0.969 50 E CB 0.906 30.595 29.700 -0.019 0.000 0.999 50 E HN 0.074 nan 8.360 nan 0.000 0.481 51 R N 0.282 120.792 120.500 0.017 0.000 2.287 51 R HA 0.085 4.425 4.340 -0.000 0.000 0.197 51 R C -0.300 176.042 176.300 0.069 0.000 0.900 51 R CA -0.066 56.059 56.100 0.043 0.000 1.052 51 R CB 0.340 30.663 30.300 0.039 0.000 1.117 51 R HN 0.457 nan 8.270 nan 0.000 0.568 52 D N 0.512 120.962 120.400 0.084 0.000 2.344 52 D HA -0.023 4.617 4.640 -0.000 0.000 0.244 52 D C 1.008 177.395 176.300 0.146 0.000 1.134 52 D CA 0.086 54.162 54.000 0.126 0.000 0.930 52 D CB 0.554 41.445 40.800 0.152 0.000 1.175 52 D HN 0.052 nan 8.370 nan 0.000 0.437 53 H N 0.366 119.474 119.070 0.064 0.000 2.390 53 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 53 H C -0.050 175.335 175.328 0.096 0.000 1.106 53 H CA 1.356 57.434 56.048 0.050 0.000 1.297 53 H CB 0.465 30.223 29.762 -0.007 0.000 1.375 53 H HN 0.340 nan 8.280 nan 0.000 0.509 54 S N -1.626 114.206 115.700 0.220 0.000 2.550 54 S HA 0.361 4.830 4.470 -0.000 0.000 0.270 54 S C 0.374 175.116 174.600 0.236 0.000 1.145 54 S CA -0.314 58.023 58.200 0.228 0.000 0.852 54 S CB 1.378 64.826 63.200 0.413 0.000 1.119 54 S HN 0.420 nan 8.310 nan 0.000 0.465 55 C N -0.081 119.359 119.300 0.233 0.000 4.100 55 C HA 0.580 5.040 4.460 -0.000 0.000 0.393 55 C C -0.565 174.582 174.990 0.261 0.000 1.619 55 C CA -0.358 58.786 59.018 0.210 0.000 1.976 55 C CB -1.264 26.574 27.740 0.163 0.000 2.992 55 C HN 0.848 nan 8.230 nan 0.000 0.694 56 Y N 1.322 121.681 120.300 0.099 0.000 2.361 56 Y HA 0.753 5.303 4.550 -0.000 0.000 0.328 56 Y C -1.273 174.611 175.900 -0.025 0.000 1.044 56 Y CA -1.120 56.993 58.100 0.021 0.000 1.085 56 Y CB 1.108 39.604 38.460 0.061 0.000 1.194 56 Y HN 0.211 nan 8.280 nan 0.000 0.438 57 I N 7.118 127.406 120.570 -0.470 0.000 2.465 57 I HA 0.511 4.681 4.170 -0.000 0.000 0.291 57 I C -0.604 175.178 176.117 -0.560 0.000 1.014 57 I CA -0.673 60.322 61.300 -0.508 0.000 1.093 57 I CB 1.732 39.319 38.000 -0.689 0.000 1.267 57 I HN 0.509 nan 8.210 nan 0.000 0.431 58 I N 2.736 123.108 120.570 -0.330 0.000 2.603 58 I HA 0.783 4.952 4.170 -0.000 0.000 0.300 58 I C -0.670 175.342 176.117 -0.176 0.000 1.017 58 I CA -0.799 60.354 61.300 -0.244 0.000 1.098 58 I CB 2.023 39.990 38.000 -0.055 0.000 1.279 58 I HN 0.632 nan 8.210 nan 0.000 0.437 59 R N 3.705 124.115 120.500 -0.150 0.000 2.621 59 R HA 0.341 4.681 4.340 -0.000 0.000 0.284 59 R C -1.122 175.145 176.300 -0.055 0.000 0.998 59 R CA -0.574 55.463 56.100 -0.105 0.000 0.895 59 R CB 2.149 32.369 30.300 -0.133 0.000 1.195 59 R HN 0.878 nan 8.270 nan 0.000 0.450 60 E N 2.830 123.015 120.200 -0.026 0.000 2.259 60 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 60 E C -1.366 175.225 176.600 -0.015 0.000 1.037 60 E CA -0.141 56.254 56.400 -0.009 0.000 0.854 60 E CB 1.260 30.963 29.700 0.006 0.000 1.051 60 E HN 0.651 nan 8.360 nan 0.000 0.409 61 A N 3.832 126.644 122.820 -0.014 0.000 2.567 61 A HA 0.302 4.621 4.320 -0.000 0.000 0.289 61 A C -0.436 177.142 177.584 -0.011 0.000 1.177 61 A CA -0.651 51.378 52.037 -0.014 0.000 0.694 61 A CB 1.159 20.146 19.000 -0.020 0.000 1.292 61 A HN 0.666 nan 8.150 nan 0.000 0.425 62 D N 0.334 120.728 120.400 -0.009 0.000 2.349 62 D HA 0.185 4.825 4.640 -0.000 0.000 0.224 62 D C 0.321 176.615 176.300 -0.011 0.000 1.029 62 D CA 1.717 55.712 54.000 -0.009 0.000 0.879 62 D CB 0.227 41.023 40.800 -0.006 0.000 0.906 62 D HN 0.668 nan 8.370 nan 0.000 0.528 63 T N -2.749 111.798 114.554 -0.012 0.000 2.923 63 T HA 0.756 5.106 4.350 -0.000 0.000 0.311 63 T C -0.248 174.443 174.700 -0.015 0.000 1.183 63 T CA -1.135 60.958 62.100 -0.013 0.000 1.020 63 T CB 1.950 70.813 68.868 -0.008 0.000 1.165 63 T HN -0.090 nan 8.240 nan 0.000 0.482 64 A N 0.883 123.693 122.820 -0.015 0.000 2.249 64 A HA 1.027 5.347 4.320 -0.000 0.000 0.281 64 A C 0.982 178.560 177.584 -0.010 0.000 1.127 64 A CA 0.171 52.201 52.037 -0.011 0.000 0.833 64 A CB -0.187 18.808 19.000 -0.008 0.000 1.140 64 A HN 2.431 nan 8.150 nan 0.000 0.502 65 G N -1.791 107.005 108.800 -0.007 0.000 2.343 65 G HA2 0.283 4.242 3.960 -0.000 0.000 0.465 65 G HA3 0.283 4.242 3.960 -0.000 0.000 0.465 65 G C -0.913 173.968 174.900 -0.031 0.000 1.282 65 G CA -0.239 44.856 45.100 -0.008 0.000 0.996 65 G HN 1.501 nan 8.290 nan 0.000 0.521 66 I N 0.438 120.996 120.570 -0.020 0.000 2.377 66 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 66 I C 0.408 176.497 176.117 -0.046 0.000 0.987 66 I CA -1.082 60.185 61.300 -0.055 0.000 1.185 66 I CB 1.406 39.401 38.000 -0.008 0.000 1.341 66 I HN 0.591 nan 8.210 nan 0.000 0.455 67 D N 6.746 127.052 120.400 -0.157 0.000 2.149 67 D HA 0.081 4.720 4.640 -0.000 0.000 0.206 67 D C -0.414 175.950 176.300 0.106 0.000 0.967 67 D CA 1.669 55.621 54.000 -0.079 0.000 0.848 67 D CB 0.253 40.922 40.800 -0.219 0.000 0.998 67 D HN 0.422 nan 8.370 nan 0.000 0.474 68 F N -2.109 117.852 119.950 0.018 0.000 2.719 68 F HA 0.518 5.045 4.527 -0.000 0.000 0.309 68 F C -1.760 174.119 175.800 0.131 0.000 1.138 68 F CA -1.741 56.299 58.000 0.067 0.000 0.943 68 F CB 0.923 39.941 39.000 0.029 0.000 1.304 68 F HN -0.260 nan 8.300 nan 0.000 0.445 69 F N 1.381 121.489 119.950 0.264 0.000 2.507 69 F HA 0.820 5.347 4.527 -0.000 0.000 0.328 69 F C -0.033 175.854 175.800 0.146 0.000 1.136 69 F CA -0.579 57.486 58.000 0.107 0.000 0.930 69 F CB 1.729 40.685 39.000 -0.074 0.000 1.166 69 F HN 0.931 nan 8.300 nan 0.000 0.436 70 G N 4.269 112.950 108.800 -0.199 0.000 2.441 70 G HA2 0.614 4.573 3.960 -0.000 0.000 0.334 70 G HA3 0.614 4.573 3.960 -0.000 0.000 0.334 70 G C -2.014 172.535 174.900 -0.585 0.000 1.161 70 G CA -0.483 44.500 45.100 -0.194 0.000 0.935 70 G HN 0.470 nan 8.290 nan 0.000 0.488 71 F N -0.361 119.519 119.950 -0.116 0.000 2.551 71 F HA 0.498 5.025 4.527 -0.000 0.000 0.316 71 F C 0.428 175.953 175.800 -0.459 0.000 1.089 71 F CA -0.828 57.080 58.000 -0.154 0.000 0.915 71 F CB 2.810 41.865 39.000 0.091 0.000 1.186 71 F HN 0.317 nan 8.300 nan 0.000 0.456 72 K N 2.789 122.964 120.400 -0.375 0.000 2.172 72 K HA 0.679 4.999 4.320 -0.000 0.000 0.276 72 K C -0.868 175.553 176.600 -0.298 0.000 1.013 72 K CA -0.585 55.248 56.287 -0.756 0.000 0.913 72 K CB 1.230 33.360 32.500 -0.616 0.000 1.055 72 K HN 0.570 nan 8.250 nan 0.000 0.461 73 V N 2.054 121.803 119.914 -0.274 0.000 3.093 73 V HA 0.273 4.393 4.120 -0.000 0.000 0.320 73 V C 1.151 177.193 176.094 -0.086 0.000 1.093 73 V CA -0.876 61.353 62.300 -0.118 0.000 1.016 73 V CB 1.326 33.109 31.823 -0.066 0.000 1.096 73 V HN 0.904 nan 8.190 nan 0.000 0.452 74 L N 1.411 122.604 121.223 -0.050 0.000 1.971 74 L HA 0.061 4.400 4.340 -0.000 0.000 0.215 74 L C 0.749 177.609 176.870 -0.017 0.000 1.072 74 L CA 2.827 57.649 54.840 -0.030 0.000 0.758 74 L CB -0.782 41.264 42.059 -0.021 0.000 0.889 74 L HN 1.216 nan 8.230 nan 0.000 0.433 75 D N -4.850 115.544 120.400 -0.011 0.000 2.838 75 D HA 0.133 4.773 4.640 -0.000 0.000 0.334 75 D C 0.455 176.761 176.300 0.009 0.000 1.315 75 D CA -0.392 53.611 54.000 0.004 0.000 0.917 75 D CB 0.520 41.324 40.800 0.006 0.000 1.435 75 D HN -0.119 nan 8.370 nan 0.000 0.517 76 K N -0.424 119.986 120.400 0.017 0.000 2.026 76 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 76 K C 1.943 178.552 176.600 0.015 0.000 1.048 76 K CA 1.578 57.878 56.287 0.021 0.000 0.929 76 K CB -0.535 31.978 32.500 0.023 0.000 0.713 76 K HN 0.432 nan 8.250 nan 0.000 0.439 77 A N 0.490 123.316 122.820 0.010 0.000 1.908 77 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 77 A C 2.186 179.772 177.584 0.003 0.000 1.181 77 A CA 2.285 54.326 52.037 0.006 0.000 0.627 77 A CB -1.095 17.908 19.000 0.004 0.000 0.818 77 A HN 0.456 nan 8.150 nan 0.000 0.445 78 T N -0.078 114.477 114.554 0.001 0.000 2.746 78 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 78 T C 1.822 176.520 174.700 -0.002 0.000 1.039 78 T CA 1.513 63.611 62.100 -0.005 0.000 1.142 78 T CB -0.346 68.516 68.868 -0.010 0.000 0.866 78 T HN 0.334 nan 8.240 nan 0.000 0.444 79 L N 1.332 122.558 121.223 0.006 0.000 2.083 79 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 79 L C 2.306 179.184 176.870 0.014 0.000 1.083 79 L CA 1.754 56.604 54.840 0.017 0.000 0.752 79 L CB -0.504 41.576 42.059 0.034 0.000 0.899 79 L HN 0.056 nan 8.230 nan 0.000 0.433 80 E N -0.074 120.133 120.200 0.011 0.000 2.028 80 E HA -0.243 4.106 4.350 -0.000 0.000 0.191 80 E C 2.148 178.746 176.600 -0.005 0.000 0.988 80 E CA 1.143 57.547 56.400 0.006 0.000 0.799 80 E CB -0.357 29.347 29.700 0.007 0.000 0.755 80 E HN 0.349 nan 8.360 nan 0.000 0.447 81 K N 1.392 121.788 120.400 -0.007 0.000 2.059 81 K HA -0.133 4.187 4.320 -0.000 0.000 0.212 81 K C 2.194 178.778 176.600 -0.027 0.000 1.050 81 K CA 1.200 57.479 56.287 -0.014 0.000 0.927 81 K CB -0.596 31.897 32.500 -0.012 0.000 0.714 81 K HN 0.083 nan 8.250 nan 0.000 0.447 82 L N 0.429 121.634 121.223 -0.031 0.000 2.093 82 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 82 L C 2.329 179.150 176.870 -0.081 0.000 1.085 82 L CA 1.490 56.295 54.840 -0.058 0.000 0.755 82 L CB -0.630 41.403 42.059 -0.044 0.000 0.904 82 L HN 0.349 nan 8.230 nan 0.000 0.435 83 D N 0.394 120.767 120.400 -0.046 0.000 2.097 83 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 83 D C 2.162 178.430 176.300 -0.054 0.000 0.989 83 D CA 1.586 55.558 54.000 -0.045 0.000 0.827 83 D CB 0.168 40.965 40.800 -0.004 0.000 0.966 83 D HN 0.233 nan 8.370 nan 0.000 0.456 84 A N 0.653 123.452 122.820 -0.035 0.000 1.902 84 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 84 A C 1.976 179.539 177.584 -0.034 0.000 1.181 84 A CA 1.935 53.955 52.037 -0.027 0.000 0.623 84 A CB -0.536 18.454 19.000 -0.017 0.000 0.818 84 A HN 0.205 nan 8.150 nan 0.000 0.443 85 D N -0.033 120.338 120.400 -0.049 0.000 2.144 85 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 85 D C 1.978 178.240 176.300 -0.063 0.000 0.978 85 D CA 0.918 54.889 54.000 -0.048 0.000 0.833 85 D CB -0.295 40.466 40.800 -0.065 0.000 0.961 85 D HN 0.455 nan 8.370 nan 0.000 0.470 86 L N 0.695 121.833 121.223 -0.143 0.000 2.017 86 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 86 L C 2.607 179.434 176.870 -0.073 0.000 1.073 86 L CA 1.229 55.941 54.840 -0.214 0.000 0.745 86 L CB -0.354 41.452 42.059 -0.421 0.000 0.894 86 L HN 0.010 nan 8.230 nan 0.000 0.432 87 Q N -0.383 119.382 119.800 -0.058 0.000 2.079 87 Q HA -0.164 4.175 4.340 -0.000 0.000 0.200 87 Q C 2.389 178.388 176.000 -0.002 0.000 0.974 87 Q CA 1.462 57.252 55.803 -0.022 0.000 0.840 87 Q CB -0.301 28.425 28.738 -0.019 0.000 0.898 87 Q HN 0.549 nan 8.270 nan 0.000 0.430 88 A N 0.254 123.077 122.820 0.005 0.000 2.070 88 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 88 A C 1.787 179.388 177.584 0.028 0.000 1.159 88 A CA 1.053 53.096 52.037 0.011 0.000 0.656 88 A CB -0.618 18.390 19.000 0.013 0.000 0.800 88 A HN 0.486 nan 8.150 nan 0.000 0.453 89 Y N -0.308 119.945 120.300 -0.078 0.000 2.457 89 Y HA 0.249 4.799 4.550 -0.000 0.000 0.292 89 Y C 1.608 177.469 175.900 -0.064 0.000 1.125 89 Y CA 1.017 59.071 58.100 -0.077 0.000 1.254 89 Y CB 0.091 38.483 38.460 -0.114 0.000 1.012 89 Y HN 0.449 nan 8.280 nan 0.000 0.555 90 G N -0.184 108.582 108.800 -0.057 0.000 2.183 90 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.168 90 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.168 90 G C -0.377 174.514 174.900 -0.015 0.000 1.008 90 G CA -0.039 45.005 45.100 -0.094 0.000 0.677 90 G HN 0.209 nan 8.290 nan 0.000 0.498 91 L N 2.176 123.420 121.223 0.035 0.000 2.309 91 L HA 0.645 4.985 4.340 -0.000 0.000 0.282 91 L C 1.093 177.977 176.870 0.024 0.000 1.036 91 L CA -0.484 54.381 54.840 0.041 0.000 0.806 91 L CB 1.770 43.840 42.059 0.019 0.000 1.220 91 L HN 0.310 nan 8.230 nan 0.000 0.429 92 T N -1.215 113.369 114.554 0.050 0.000 2.889 92 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 92 T C -0.001 174.746 174.700 0.078 0.000 0.995 92 T CA -0.510 61.619 62.100 0.048 0.000 1.092 92 T CB 1.481 70.377 68.868 0.046 0.000 0.954 92 T HN 0.503 nan 8.240 nan 0.000 0.506 93 T N 2.025 116.616 114.554 0.061 0.000 2.908 93 T HA 0.633 4.983 4.350 -0.000 0.000 0.290 93 T C -0.488 174.256 174.700 0.072 0.000 1.034 93 T CA -0.562 61.592 62.100 0.090 0.000 1.010 93 T CB 1.827 70.730 68.868 0.059 0.000 1.068 93 T HN 0.821 nan 8.240 nan 0.000 0.481 94 T N 2.414 117.019 114.554 0.085 0.000 2.863 94 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 94 T C -0.522 174.205 174.700 0.045 0.000 1.009 94 T CA -0.739 61.392 62.100 0.051 0.000 0.989 94 T CB 1.483 70.373 68.868 0.036 0.000 1.004 94 T HN 0.243 nan 8.240 nan 0.000 0.455 95 R N 2.181 122.698 120.500 0.028 0.000 2.310 95 R HA 0.549 4.889 4.340 -0.000 0.000 0.324 95 R C -0.886 175.419 176.300 0.008 0.000 0.955 95 R CA -0.508 55.606 56.100 0.025 0.000 0.830 95 R CB 0.230 30.545 30.300 0.024 0.000 1.154 95 R HN 0.585 nan 8.270 nan 0.000 0.458 96 I N 6.897 127.466 120.570 -0.002 0.000 2.315 96 I HA 0.337 4.506 4.170 -0.000 0.000 0.291 96 I C -1.697 174.416 176.117 -0.007 0.000 1.006 96 I CA -2.166 59.123 61.300 -0.019 0.000 1.265 96 I CB 1.483 39.450 38.000 -0.056 0.000 1.387 96 I HN 0.426 nan 8.210 nan 0.000 0.475 97 P HA 0.059 nan 4.420 nan 0.000 0.271 97 P C -0.462 176.834 177.300 -0.007 0.000 1.233 97 P CA -0.364 62.735 63.100 -0.002 0.000 0.789 97 P CB 0.713 32.411 31.700 -0.004 0.000 0.951 98 A N 0.789 123.606 122.820 -0.005 0.000 2.477 98 A HA 0.454 4.774 4.320 -0.000 0.000 0.246 98 A C 1.439 179.007 177.584 -0.025 0.000 1.078 98 A CA 0.755 52.783 52.037 -0.014 0.000 0.770 98 A CB -1.268 17.727 19.000 -0.010 0.000 1.011 98 A HN 0.880 nan 8.150 nan 0.000 0.494 99 G N 0.582 109.358 108.800 -0.040 0.000 2.279 99 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.223 99 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.223 99 G C 1.091 175.972 174.900 -0.031 0.000 1.015 99 G CA 0.711 45.782 45.100 -0.048 0.000 0.621 99 G HN 0.776 nan 8.290 nan 0.000 0.506 100 E N 0.273 120.463 120.200 -0.017 0.000 2.171 100 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 100 E C 1.123 177.739 176.600 0.027 0.000 0.997 100 E CA 0.938 57.338 56.400 -0.001 0.000 0.810 100 E CB -0.085 29.609 29.700 -0.011 0.000 0.738 100 E HN 0.606 nan 8.360 nan 0.000 0.467 101 M N 0.779 120.393 119.600 0.024 0.000 2.364 101 M HA 0.264 4.744 4.480 -0.000 0.000 0.334 101 M C -0.384 175.896 176.300 -0.033 0.000 1.107 101 M CA -0.712 54.648 55.300 0.099 0.000 0.988 101 M CB 2.049 34.711 32.600 0.103 0.000 1.673 101 M HN -0.120 nan 8.290 nan 0.000 0.441 102 L N 3.993 125.116 121.223 -0.167 0.000 2.559 102 L HA -0.065 4.275 4.340 -0.000 0.000 0.282 102 L C 0.767 177.325 176.870 -0.519 0.000 1.232 102 L CA 0.278 54.832 54.840 -0.477 0.000 0.885 102 L CB 0.156 41.661 42.059 -0.924 0.000 1.131 102 L HN 0.764 nan 8.230 nan 0.000 0.498 103 E N 0.322 120.245 120.200 -0.462 0.000 2.604 103 E HA -0.203 4.146 4.350 -0.000 0.000 0.255 103 E C -0.252 176.196 176.600 -0.252 0.000 1.164 103 E CA 1.050 57.191 56.400 -0.432 0.000 0.737 103 E CB -1.784 27.409 29.700 -0.846 0.000 1.317 103 E HN 0.722 nan 8.360 nan 0.000 0.417 104 T N -0.692 113.755 114.554 -0.178 0.000 2.893 104 T HA 0.617 4.966 4.350 -0.000 0.000 0.291 104 T C 0.683 175.339 174.700 -0.074 0.000 1.028 104 T CA -0.216 61.808 62.100 -0.126 0.000 0.995 104 T CB 2.252 71.044 68.868 -0.128 0.000 1.051 104 T HN 0.200 nan 8.240 nan 0.000 0.470 105 G N 0.779 109.559 108.800 -0.034 0.000 2.510 105 G HA2 0.510 4.470 3.960 -0.000 0.000 0.280 105 G HA3 0.510 4.470 3.960 -0.000 0.000 0.280 105 G C -0.146 174.767 174.900 0.023 0.000 1.386 105 G CA -0.786 44.321 45.100 0.012 0.000 1.047 105 G HN 0.867 nan 8.290 nan 0.000 0.527 106 E N -0.762 119.463 120.200 0.042 0.000 2.404 106 E HA 0.377 4.727 4.350 -0.000 0.000 0.261 106 E C -0.203 176.449 176.600 0.087 0.000 1.074 106 E CA -0.214 56.213 56.400 0.044 0.000 0.917 106 E CB 0.611 30.334 29.700 0.039 0.000 0.965 106 E HN 0.569 nan 8.360 nan 0.000 0.433 107 R N 0.399 120.943 120.500 0.074 0.000 2.808 107 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 107 R C -1.357 174.996 176.300 0.089 0.000 0.995 107 R CA -1.086 55.085 56.100 0.118 0.000 0.917 107 R CB 1.308 31.687 30.300 0.131 0.000 1.217 107 R HN 0.357 nan 8.270 nan 0.000 0.471 108 V N 1.988 121.979 119.914 0.128 0.000 2.350 108 V HA 0.423 4.543 4.120 -0.000 0.000 0.276 108 V C 0.200 176.410 176.094 0.193 0.000 1.028 108 V CA -0.627 61.760 62.300 0.146 0.000 0.860 108 V CB 1.171 33.091 31.823 0.162 0.000 0.990 108 V HN 0.624 nan 8.190 nan 0.000 0.453 109 R N 4.838 125.423 120.500 0.141 0.000 2.664 109 R HA 0.807 5.146 4.340 -0.000 0.000 0.286 109 R C -1.345 175.089 176.300 0.224 0.000 0.967 109 R CA -0.426 55.722 56.100 0.079 0.000 0.933 109 R CB 1.658 31.926 30.300 -0.053 0.000 1.146 109 R HN 0.671 nan 8.270 nan 0.000 0.468 110 F N -0.814 119.160 119.950 0.039 0.000 2.713 110 F HA 0.439 4.966 4.527 -0.000 0.000 0.311 110 F C -1.428 174.415 175.800 0.072 0.000 1.141 110 F CA -1.158 56.866 58.000 0.041 0.000 0.939 110 F CB 1.354 40.367 39.000 0.021 0.000 1.325 110 F HN 0.451 nan 8.300 nan 0.000 0.453 111 E N 2.070 122.394 120.200 0.207 0.000 2.179 111 E HA 0.610 4.960 4.350 -0.000 0.000 0.275 111 E C -1.429 175.304 176.600 0.222 0.000 0.945 111 E CA -0.785 55.693 56.400 0.131 0.000 0.792 111 E CB 1.665 31.427 29.700 0.104 0.000 1.125 111 E HN 0.751 nan 8.360 nan 0.000 0.397 112 L N 4.974 126.311 121.223 0.190 0.000 2.416 112 L HA 0.302 4.642 4.340 -0.000 0.000 0.262 112 L C -1.683 175.271 176.870 0.140 0.000 1.093 112 L CA -1.928 53.033 54.840 0.202 0.000 0.801 112 L CB 0.806 43.002 42.059 0.229 0.000 1.191 112 L HN 0.554 nan 8.230 nan 0.000 0.459 113 P HA -0.120 nan 4.420 nan 0.000 0.222 113 P C 1.149 178.494 177.300 0.074 0.000 1.147 113 P CA 0.874 64.019 63.100 0.074 0.000 0.790 113 P CB 0.195 31.928 31.700 0.055 0.000 0.780 114 S N -2.231 113.538 115.700 0.114 0.000 2.562 114 S HA 0.216 4.686 4.470 -0.000 0.000 0.221 114 S C 1.680 176.286 174.600 0.010 0.000 0.975 114 S CA 0.523 58.821 58.200 0.164 0.000 0.918 114 S CB -1.070 62.371 63.200 0.401 0.000 0.772 114 S HN 0.262 nan 8.310 nan 0.000 0.531 115 G N 0.652 109.456 108.800 0.007 0.000 2.141 115 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.242 115 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.242 115 G C -0.259 174.544 174.900 -0.162 0.000 0.982 115 G CA 0.049 45.096 45.100 -0.089 0.000 0.662 115 G HN 0.717 nan 8.290 nan 0.000 0.527 116 H N -0.534 118.621 119.070 0.140 0.000 2.467 116 H HA 0.654 5.210 4.556 -0.000 0.000 0.331 116 H C 0.665 176.055 175.328 0.105 0.000 1.120 116 H CA -0.637 55.498 56.048 0.146 0.000 1.270 116 H CB 1.177 31.070 29.762 0.217 0.000 1.466 116 H HN 0.187 nan 8.280 nan 0.000 0.504 117 L N 4.098 125.445 121.223 0.207 0.000 2.281 117 L HA 0.256 4.595 4.340 -0.000 0.000 0.285 117 L C -0.414 176.500 176.870 0.074 0.000 1.074 117 L CA -0.371 54.526 54.840 0.094 0.000 0.817 117 L CB 0.400 42.542 42.059 0.138 0.000 1.168 117 L HN 0.432 nan 8.230 nan 0.000 0.434 118 I N 2.849 123.274 120.570 -0.241 0.000 2.562 118 I HA 0.450 4.620 4.170 -0.000 0.000 0.301 118 I C -0.099 175.819 176.117 -0.333 0.000 1.003 118 I CA -0.444 60.709 61.300 -0.245 0.000 1.127 118 I CB 2.027 39.769 38.000 -0.429 0.000 1.304 118 I HN 0.665 nan 8.210 nan 0.000 0.446 119 E N 3.252 123.462 120.200 0.016 0.000 2.343 119 E HA 0.673 5.023 4.350 -0.000 0.000 0.270 119 E C -1.815 174.930 176.600 0.241 0.000 0.895 119 E CA -0.688 55.767 56.400 0.092 0.000 0.767 119 E CB 2.600 32.362 29.700 0.103 0.000 1.248 119 E HN 0.213 nan 8.360 nan 0.000 0.440 120 L N 3.320 124.693 121.223 0.250 0.000 2.438 120 L HA 0.479 4.819 4.340 -0.000 0.000 0.270 120 L C -1.382 175.615 176.870 0.211 0.000 0.972 120 L CA -0.663 54.307 54.840 0.217 0.000 0.831 120 L CB 1.207 43.399 42.059 0.220 0.000 1.273 120 L HN 0.510 nan 8.230 nan 0.000 0.405 121 Y N 1.143 121.473 120.300 0.050 0.000 2.615 121 Y HA 0.850 5.400 4.550 -0.000 0.000 0.341 121 Y C -0.143 175.774 175.900 0.029 0.000 1.089 121 Y CA -0.743 57.376 58.100 0.031 0.000 1.049 121 Y CB 1.668 40.138 38.460 0.016 0.000 1.296 121 Y HN 0.421 nan 8.280 nan 0.000 0.470 122 A N 0.051 122.966 122.820 0.158 0.000 2.312 122 A HA 0.338 4.658 4.320 -0.000 0.000 0.215 122 A C -0.111 177.566 177.584 0.156 0.000 1.256 122 A CA -0.087 51.984 52.037 0.057 0.000 0.966 122 A CB 0.162 19.185 19.000 0.038 0.000 1.053 122 A HN 0.696 nan 8.150 nan 0.000 0.510 123 E N 0.260 120.621 120.200 0.267 0.000 2.187 123 E HA 0.564 4.913 4.350 -0.000 0.000 0.268 123 E C -1.229 175.499 176.600 0.213 0.000 0.896 123 E CA -0.460 56.054 56.400 0.190 0.000 0.766 123 E CB 1.946 31.708 29.700 0.103 0.000 1.142 123 E HN 0.254 nan 8.360 nan 0.000 0.408 124 K N 1.683 122.177 120.400 0.156 0.000 2.582 124 K HA 0.143 4.462 4.320 -0.000 0.000 0.259 124 K C -1.214 175.433 176.600 0.079 0.000 0.973 124 K CA -0.327 56.019 56.287 0.098 0.000 0.880 124 K CB 1.570 34.187 32.500 0.194 0.000 1.310 124 K HN 0.404 nan 8.250 nan 0.000 0.443 125 T N 2.051 116.617 114.554 0.020 0.000 2.933 125 T HA -0.077 4.273 4.350 -0.000 0.000 0.306 125 T C 0.083 174.833 174.700 0.083 0.000 1.045 125 T CA 0.090 62.206 62.100 0.027 0.000 1.143 125 T CB 0.119 68.966 68.868 -0.035 0.000 1.003 125 T HN 0.575 nan 8.240 nan 0.000 0.540 126 C N 5.288 124.630 119.300 0.071 0.000 2.246 126 C HA 0.469 4.929 4.460 -0.000 0.000 0.329 126 C C 1.658 176.695 174.990 0.077 0.000 1.221 126 C CA -0.585 58.480 59.018 0.078 0.000 1.697 126 C CB -1.075 26.701 27.740 0.060 0.000 2.312 126 C HN 0.912 nan 8.230 nan 0.000 0.509 127 V N 7.025 126.995 119.914 0.093 0.000 2.992 127 V HA 0.445 4.565 4.120 -0.000 0.000 0.250 127 V C 1.301 177.436 176.094 0.069 0.000 1.090 127 V CA 2.000 64.350 62.300 0.084 0.000 1.101 127 V CB -0.474 31.406 31.823 0.095 0.000 0.743 127 V HN 1.612 nan 8.190 nan 0.000 0.468 128 G N 1.062 109.903 108.800 0.068 0.000 2.631 128 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.504 128 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.504 128 G C 0.016 174.966 174.900 0.083 0.000 1.306 128 G CA 0.053 45.194 45.100 0.068 0.000 0.897 128 G HN 0.936 nan 8.290 nan 0.000 0.520 129 N N -0.111 118.651 118.700 0.103 0.000 2.238 129 N HA 0.393 5.133 4.740 -0.000 0.000 0.222 129 N C 1.555 177.192 175.510 0.211 0.000 1.133 129 N CA 0.515 53.664 53.050 0.165 0.000 0.854 129 N CB 0.914 39.498 38.487 0.162 0.000 1.041 129 N HN 2.281 nan 8.380 nan 0.000 0.510 130 G N 1.010 109.893 108.800 0.139 0.000 2.245 130 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.264 130 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.264 130 G C 0.080 175.041 174.900 0.102 0.000 0.985 130 G CA 0.377 45.547 45.100 0.115 0.000 0.625 130 G HN 0.383 nan 8.290 nan 0.000 0.536 131 I N 1.457 122.103 120.570 0.125 0.000 2.499 131 I HA 0.456 4.626 4.170 -0.000 0.000 0.296 131 I C 1.282 177.439 176.117 0.067 0.000 0.992 131 I CA -0.325 61.033 61.300 0.097 0.000 1.297 131 I CB 1.617 39.699 38.000 0.137 0.000 1.410 131 I HN 0.193 nan 8.210 nan 0.000 0.507 132 S N 2.933 118.658 115.700 0.042 0.000 2.572 132 S HA -0.001 4.468 4.470 -0.000 0.000 0.267 132 S C 0.897 175.518 174.600 0.036 0.000 1.361 132 S CA 0.021 58.240 58.200 0.032 0.000 1.009 132 S CB 0.469 63.679 63.200 0.017 0.000 0.888 132 S HN 0.663 nan 8.310 nan 0.000 0.553 133 E N 0.728 120.946 120.200 0.030 0.000 2.472 133 E HA 0.164 4.514 4.350 -0.000 0.000 0.196 133 E C -0.574 176.041 176.600 0.024 0.000 1.033 133 E CA 0.018 56.436 56.400 0.030 0.000 0.886 133 E CB 0.442 30.159 29.700 0.028 0.000 0.944 133 E HN 0.302 nan 8.360 nan 0.000 0.492 134 V N 2.663 122.588 119.914 0.019 0.000 2.487 134 V HA 0.125 4.244 4.120 -0.000 0.000 0.298 134 V C -0.342 175.758 176.094 0.009 0.000 1.028 134 V CA -1.123 61.185 62.300 0.013 0.000 0.860 134 V CB 1.392 33.221 31.823 0.010 0.000 0.991 134 V HN 0.222 nan 8.190 nan 0.000 0.427 135 N N 2.486 121.191 118.700 0.008 0.000 2.714 135 N HA -0.115 4.624 4.740 -0.000 0.000 0.253 135 N C -1.899 173.610 175.510 -0.003 0.000 1.024 135 N CA 0.541 53.591 53.050 0.001 0.000 0.726 135 N CB -1.024 37.460 38.487 -0.005 0.000 0.908 135 N HN 0.625 nan 8.380 nan 0.000 0.542 136 P HA 0.312 nan 4.420 nan 0.000 0.271 136 P C -0.061 177.235 177.300 -0.008 0.000 1.218 136 P CA -0.186 62.921 63.100 0.012 0.000 0.780 136 P CB 0.872 32.595 31.700 0.038 0.000 0.901 137 A N 4.716 127.515 122.820 -0.035 0.000 2.272 137 A HA 0.411 4.731 4.320 -0.000 0.000 0.275 137 A C -0.938 176.612 177.584 -0.056 0.000 1.096 137 A CA -1.139 50.834 52.037 -0.107 0.000 0.822 137 A CB -0.675 18.199 19.000 -0.210 0.000 1.088 137 A HN 0.477 nan 8.150 nan 0.000 0.495 138 P HA 0.004 nan 4.420 nan 0.000 0.223 138 P C -0.112 177.365 177.300 0.295 0.000 1.151 138 P CA 1.224 64.370 63.100 0.078 0.000 0.787 138 P CB 0.026 31.778 31.700 0.087 0.000 0.788 139 W N -0.427 120.942 121.300 0.116 0.000 2.929 139 W HA 0.313 4.972 4.660 -0.001 0.000 0.363 139 W C -1.492 174.982 176.519 -0.076 0.000 1.168 139 W CA -0.718 56.654 57.345 0.044 0.000 1.163 139 W CB -0.292 29.141 29.460 -0.044 0.000 1.455 139 W HN -0.127 nan 8.180 nan 0.000 0.568 140 N N -0.433 118.373 118.700 0.177 0.000 3.379 140 N HA 0.602 5.342 4.740 -0.000 0.000 0.350 140 N C 0.642 176.259 175.510 0.178 0.000 1.553 140 N CA -0.003 53.099 53.050 0.087 0.000 0.712 140 N CB 0.150 38.637 38.487 0.001 0.000 1.880 140 N HN 0.470 nan 8.380 nan 0.000 0.648 141 A N -0.753 122.102 122.820 0.058 0.000 2.019 141 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 141 A C 1.794 179.316 177.584 -0.104 0.000 1.164 141 A CA 1.369 53.420 52.037 0.022 0.000 0.644 141 A CB -1.067 17.939 19.000 0.010 0.000 0.805 141 A HN 0.684 nan 8.150 nan 0.000 0.449 142 Q N -0.452 119.229 119.800 -0.198 0.000 2.181 142 Q HA -0.230 4.109 4.340 -0.000 0.000 0.205 142 Q C 2.006 177.662 176.000 -0.573 0.000 0.980 142 Q CA 1.694 57.318 55.803 -0.298 0.000 0.862 142 Q CB -0.282 28.295 28.738 -0.269 0.000 0.905 142 Q HN 0.897 nan 8.270 nan 0.000 0.429 143 R N 0.410 120.382 120.500 -0.880 0.000 2.323 143 R HA -0.015 4.325 4.340 -0.000 0.000 0.198 143 R C 0.755 176.788 176.300 -0.445 0.000 0.988 143 R CA 0.895 56.439 56.100 -0.926 0.000 1.041 143 R CB 0.189 29.892 30.300 -0.995 0.000 0.926 143 R HN 0.175 nan 8.270 nan 0.000 0.476 144 E N 0.116 120.123 120.200 -0.321 0.000 2.548 144 E HA 0.017 4.367 4.350 -0.000 0.000 0.206 144 E C -0.909 175.612 176.600 -0.132 0.000 1.005 144 E CA -0.246 56.019 56.400 -0.224 0.000 0.951 144 E CB 0.438 30.014 29.700 -0.207 0.000 1.035 144 E HN 0.345 nan 8.360 nan 0.000 0.470 145 H N 0.530 119.482 119.070 -0.196 0.000 2.820 145 H HA 0.339 4.895 4.556 -0.000 0.000 0.278 145 H C 0.712 175.952 175.328 -0.147 0.000 1.142 145 H CA 0.799 56.761 56.048 -0.144 0.000 1.346 145 H CB -0.103 29.589 29.762 -0.117 0.000 1.438 145 H HN 0.287 nan 8.280 nan 0.000 0.473 146 G N 3.914 112.423 108.800 -0.485 0.000 2.641 146 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 146 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 146 G C 1.244 176.001 174.900 -0.239 0.000 1.315 146 G CA 0.065 44.926 45.100 -0.399 0.000 0.907 146 G HN 0.661 nan 8.290 nan 0.000 0.572 147 I N 1.164 121.602 120.570 -0.220 0.000 2.151 147 I HA 0.020 4.190 4.170 -0.000 0.000 0.243 147 I C 2.331 178.407 176.117 -0.067 0.000 1.080 147 I CA 2.015 63.234 61.300 -0.136 0.000 1.339 147 I CB -0.741 37.184 38.000 -0.124 0.000 1.039 147 I HN 2.174 nan 8.210 nan 0.000 0.409 148 A N 0.368 123.159 122.820 -0.048 0.000 2.475 148 A HA -0.128 4.191 4.320 -0.000 0.000 0.295 148 A C -1.848 175.897 177.584 0.267 0.000 1.457 148 A CA -0.073 52.035 52.037 0.119 0.000 0.734 148 A CB -2.147 16.881 19.000 0.048 0.000 1.118 148 A HN 0.340 nan 8.150 nan 0.000 0.400 149 P HA 0.291 nan 4.420 nan 0.000 0.271 149 P C 1.065 178.449 177.300 0.141 0.000 1.233 149 P CA -0.170 63.037 63.100 0.177 0.000 0.789 149 P CB 0.670 32.472 31.700 0.171 0.000 0.951 150 I N -0.450 120.164 120.570 0.073 0.000 2.585 150 I HA -0.076 4.094 4.170 -0.000 0.000 0.254 150 I C 1.220 177.266 176.117 -0.120 0.000 1.129 150 I CA 1.154 62.368 61.300 -0.143 0.000 1.455 150 I CB -0.111 37.852 38.000 -0.061 0.000 1.111 150 I HN 0.496 nan 8.210 nan 0.000 0.433 151 Q N 0.177 119.998 119.800 0.035 0.000 2.633 151 Q HA 0.397 4.737 4.340 -0.000 0.000 0.289 151 Q C -1.247 174.784 176.000 0.052 0.000 0.940 151 Q CA -0.957 54.867 55.803 0.034 0.000 0.785 151 Q CB 1.951 30.687 28.738 -0.003 0.000 1.467 151 Q HN -0.023 nan 8.270 nan 0.000 0.401 152 L N 1.967 123.166 121.223 -0.040 0.000 2.342 152 L HA 0.260 4.600 4.340 -0.000 0.000 0.285 152 L C 0.060 176.818 176.870 -0.186 0.000 1.095 152 L CA 0.701 55.374 54.840 -0.278 0.000 0.843 152 L CB 0.597 42.533 42.059 -0.204 0.000 1.201 152 L HN 0.903 nan 8.230 nan 0.000 0.445 153 D N 2.654 122.908 120.400 -0.243 0.000 2.137 153 D HA -0.007 4.632 4.640 -0.000 0.000 0.202 153 D C 0.284 176.534 176.300 -0.084 0.000 0.970 153 D CA 1.740 55.667 54.000 -0.121 0.000 0.837 153 D CB 0.280 41.037 40.800 -0.073 0.000 0.981 153 D HN 0.825 nan 8.370 nan 0.000 0.475 154 H N -3.103 115.795 119.070 -0.287 0.000 2.829 154 H HA 0.266 4.822 4.556 -0.000 0.000 0.261 154 H C -1.201 173.864 175.328 -0.439 0.000 1.464 154 H CA -0.644 55.213 56.048 -0.317 0.000 1.132 154 H CB -0.054 29.361 29.762 -0.578 0.000 1.800 154 H HN 0.201 nan 8.280 nan 0.000 0.548 155 C N 0.676 119.656 119.300 -0.534 0.000 3.173 155 C HA 0.777 5.237 4.460 -0.000 0.000 0.310 155 C C -0.916 173.641 174.990 -0.723 0.000 1.306 155 C CA -0.943 57.614 59.018 -0.769 0.000 1.426 155 C CB 1.430 28.520 27.740 -1.085 0.000 1.800 155 C HN 0.825 nan 8.230 nan 0.000 0.470 156 L N 2.734 123.491 121.223 -0.777 0.000 2.319 156 L HA 0.667 5.006 4.340 -0.000 0.000 0.281 156 L C -1.489 175.087 176.870 -0.490 0.000 1.005 156 L CA -0.465 54.007 54.840 -0.612 0.000 0.828 156 L CB 1.347 43.161 42.059 -0.409 0.000 1.227 156 L HN 0.690 nan 8.230 nan 0.000 0.415 157 L N 5.034 125.860 121.223 -0.661 0.000 2.325 157 L HA 0.449 4.788 4.340 -0.000 0.000 0.278 157 L C -0.789 176.062 176.870 -0.031 0.000 1.023 157 L CA -0.344 54.184 54.840 -0.520 0.000 0.811 157 L CB 1.347 42.699 42.059 -1.178 0.000 1.249 157 L HN 0.320 nan 8.230 nan 0.000 0.431 158 Y N 1.375 121.661 120.300 -0.022 0.000 2.331 158 Y HA 0.734 5.284 4.550 -0.000 0.000 0.338 158 Y C 0.685 176.820 175.900 0.392 0.000 0.976 158 Y CA -0.702 57.464 58.100 0.110 0.000 1.137 158 Y CB 1.771 40.147 38.460 -0.140 0.000 1.172 158 Y HN 0.645 nan 8.280 nan 0.000 0.478 159 G N 4.080 113.156 108.800 0.459 0.000 2.619 159 G HA2 0.620 4.580 3.960 -0.000 0.000 0.305 159 G HA3 0.620 4.580 3.960 -0.000 0.000 0.305 159 G C -3.462 171.588 174.900 0.249 0.000 1.330 159 G CA -1.352 43.997 45.100 0.414 0.000 0.789 159 G HN 0.235 nan 8.290 nan 0.000 0.487 160 P HA 0.378 nan 4.420 nan 0.000 0.290 160 P C -0.812 176.525 177.300 0.061 0.000 1.307 160 P CA -0.585 62.569 63.100 0.090 0.000 0.948 160 P CB 1.900 33.638 31.700 0.064 0.000 1.312 161 N N 0.084 118.804 118.700 0.033 0.000 2.756 161 N HA -0.109 4.631 4.740 -0.000 0.000 0.248 161 N C 0.875 176.381 175.510 -0.006 0.000 1.062 161 N CA 0.284 53.345 53.050 0.018 0.000 0.696 161 N CB -1.166 37.337 38.487 0.027 0.000 0.946 161 N HN 0.382 nan 8.380 nan 0.000 0.548 162 I N -0.318 120.245 120.570 -0.011 0.000 2.439 162 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 162 I C 2.537 178.616 176.117 -0.063 0.000 1.139 162 I CA 1.374 62.638 61.300 -0.060 0.000 1.438 162 I CB -1.197 36.792 38.000 -0.018 0.000 1.085 162 I HN 0.344 nan 8.210 nan 0.000 0.427 163 A N 0.733 123.544 122.820 -0.015 0.000 1.908 163 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 163 A C 2.254 179.842 177.584 0.007 0.000 1.181 163 A CA 1.572 53.612 52.037 0.005 0.000 0.627 163 A CB -0.586 18.426 19.000 0.020 0.000 0.818 163 A HN 0.461 nan 8.150 nan 0.000 0.445 164 E N -0.491 119.714 120.200 0.007 0.000 2.106 164 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 164 E C 1.955 178.561 176.600 0.010 0.000 0.984 164 E CA 1.111 57.531 56.400 0.034 0.000 0.806 164 E CB -0.194 29.532 29.700 0.044 0.000 0.750 164 E HN 0.421 nan 8.360 nan 0.000 0.458 165 V N 1.323 121.193 119.914 -0.072 0.000 2.358 165 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 165 V C 2.491 178.546 176.094 -0.064 0.000 1.047 165 V CA 1.938 64.145 62.300 -0.155 0.000 1.035 165 V CB -0.494 31.001 31.823 -0.547 0.000 0.658 165 V HN 0.297 nan 8.190 nan 0.000 0.452 166 Q N 0.155 119.906 119.800 -0.083 0.000 2.084 166 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 166 Q C 2.319 178.347 176.000 0.047 0.000 0.978 166 Q CA 1.781 57.583 55.803 -0.003 0.000 0.844 166 Q CB -0.060 28.683 28.738 0.010 0.000 0.898 166 Q HN 0.609 nan 8.270 nan 0.000 0.426 167 K N 0.147 120.565 120.400 0.030 0.000 2.063 167 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 167 K C 2.117 178.655 176.600 -0.102 0.000 1.048 167 K CA 1.514 57.818 56.287 0.028 0.000 0.928 167 K CB -0.167 32.395 32.500 0.103 0.000 0.713 167 K HN 0.318 nan 8.250 nan 0.000 0.442 168 I N 0.038 120.504 120.570 -0.173 0.000 2.202 168 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 168 I C 2.049 177.930 176.117 -0.393 0.000 1.091 168 I CA 1.381 62.410 61.300 -0.451 0.000 1.368 168 I CB -0.265 37.518 38.000 -0.362 0.000 1.058 168 I HN 0.019 nan 8.210 nan 0.000 0.410 169 F N 0.959 120.751 119.950 -0.264 0.000 2.186 169 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 169 F C 2.907 178.662 175.800 -0.076 0.000 1.090 169 F CA 1.905 59.723 58.000 -0.303 0.000 1.307 169 F CB -0.725 37.988 39.000 -0.478 0.000 1.019 169 F HN 0.173 nan 8.300 nan 0.000 0.489 170 T N -2.940 111.697 114.554 0.139 0.000 2.937 170 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 170 T C 1.569 176.315 174.700 0.076 0.000 1.051 170 T CA 1.048 63.245 62.100 0.162 0.000 1.141 170 T CB -0.350 68.614 68.868 0.159 0.000 0.879 170 T HN 0.290 nan 8.240 nan 0.000 0.459 171 E N 0.516 120.706 120.200 -0.017 0.000 2.385 171 E HA 0.137 4.486 4.350 -0.000 0.000 0.194 171 E C 1.798 178.331 176.600 -0.113 0.000 1.013 171 E CA 0.287 56.663 56.400 -0.040 0.000 0.866 171 E CB 0.374 30.062 29.700 -0.020 0.000 0.832 171 E HN 0.407 nan 8.360 nan 0.000 0.500 172 V N 0.120 119.904 119.914 -0.216 0.000 2.948 172 V HA -0.001 4.119 4.120 -0.000 0.000 0.234 172 V C 1.663 177.662 176.094 -0.159 0.000 1.205 172 V CA 0.353 62.501 62.300 -0.253 0.000 1.234 172 V CB 0.072 31.602 31.823 -0.490 0.000 1.020 172 V HN 0.141 nan 8.190 nan 0.000 0.491 173 L N 1.347 122.483 121.223 -0.145 0.000 2.591 173 L HA 0.384 4.724 4.340 -0.000 0.000 0.228 173 L C 1.586 178.601 176.870 0.242 0.000 1.133 173 L CA 0.862 55.708 54.840 0.010 0.000 0.880 173 L CB -0.494 41.488 42.059 -0.129 0.000 1.033 173 L HN 0.599 nan 8.230 nan 0.000 0.450 174 G N -0.128 108.783 108.800 0.184 0.000 2.176 174 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.252 174 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.252 174 G C -0.002 175.031 174.900 0.220 0.000 1.024 174 G CA -0.191 45.004 45.100 0.159 0.000 0.755 174 G HN 0.148 nan 8.290 nan 0.000 0.507 175 F N -0.297 119.712 119.950 0.098 0.000 2.380 175 F HA 0.773 5.300 4.527 -0.000 0.000 0.319 175 F C 0.691 176.624 175.800 0.220 0.000 1.113 175 F CA -0.938 57.141 58.000 0.131 0.000 1.056 175 F CB 0.922 39.998 39.000 0.128 0.000 1.289 175 F HN 0.315 nan 8.300 nan 0.000 0.515 176 Y N -0.885 119.563 120.300 0.247 0.000 2.562 176 Y HA 0.603 5.153 4.550 -0.000 0.000 0.345 176 Y C -1.471 174.547 175.900 0.197 0.000 1.045 176 Y CA -1.642 56.568 58.100 0.183 0.000 1.028 176 Y CB 0.830 39.366 38.460 0.126 0.000 1.297 176 Y HN 0.514 nan 8.280 nan 0.000 0.463 177 L N 3.908 125.294 121.223 0.270 0.000 2.433 177 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 177 L C -0.014 177.000 176.870 0.239 0.000 1.128 177 L CA -0.168 54.794 54.840 0.204 0.000 0.875 177 L CB 1.008 43.195 42.059 0.214 0.000 1.171 177 L HN 0.954 nan 8.230 nan 0.000 0.463 178 V N 4.190 124.199 119.914 0.158 0.000 2.492 178 V HA 0.140 4.260 4.120 -0.000 0.000 0.241 178 V C 0.721 176.973 176.094 0.264 0.000 1.041 178 V CA 0.938 63.372 62.300 0.223 0.000 1.057 178 V CB -0.028 31.860 31.823 0.108 0.000 0.711 178 V HN 0.756 nan 8.190 nan 0.000 0.468 179 E N -0.579 119.772 120.200 0.251 0.000 2.408 179 E HA 0.674 5.023 4.350 -0.000 0.000 0.275 179 E C -1.065 175.758 176.600 0.373 0.000 0.935 179 E CA -0.811 55.723 56.400 0.224 0.000 0.775 179 E CB 2.976 32.670 29.700 -0.010 0.000 1.277 179 E HN 0.431 nan 8.360 nan 0.000 0.455 180 R N -1.233 119.476 120.500 0.350 0.000 2.710 180 R HA 0.633 4.972 4.340 -0.000 0.000 0.270 180 R C -1.794 174.766 176.300 0.434 0.000 1.021 180 R CA -0.804 55.570 56.100 0.458 0.000 0.889 180 R CB 1.115 31.605 30.300 0.317 0.000 1.243 180 R HN 0.194 nan 8.270 nan 0.000 0.464 181 V N 3.334 123.554 119.914 0.510 0.000 2.326 181 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 181 V C 0.037 176.365 176.094 0.390 0.000 1.015 181 V CA -0.788 61.810 62.300 0.498 0.000 0.823 181 V CB 1.237 33.465 31.823 0.675 0.000 1.009 181 V HN 0.561 nan 8.190 nan 0.000 0.436 182 L N 4.428 125.845 121.223 0.323 0.000 2.485 182 L HA 0.245 4.584 4.340 -0.000 0.000 0.275 182 L C 0.972 177.984 176.870 0.237 0.000 1.207 182 L CA 0.424 55.403 54.840 0.232 0.000 0.855 182 L CB 0.786 42.953 42.059 0.180 0.000 1.114 182 L HN 0.791 nan 8.230 nan 0.000 0.485 183 S N 2.499 118.267 115.700 0.114 0.000 2.616 183 S HA 0.540 5.009 4.470 -0.000 0.000 0.277 183 S C -2.393 172.154 174.600 -0.089 0.000 1.234 183 S CA -1.562 56.612 58.200 -0.042 0.000 1.028 183 S CB 1.194 64.334 63.200 -0.099 0.000 0.988 183 S HN 0.341 nan 8.310 nan 0.000 0.522 184 P HA -0.040 nan 4.420 nan 0.000 0.269 184 P C -0.215 177.042 177.300 -0.073 0.000 1.185 184 P CA 0.373 63.386 63.100 -0.145 0.000 0.769 184 P CB 0.141 31.690 31.700 -0.251 0.000 0.809 185 D N 1.745 122.129 120.400 -0.027 0.000 3.146 185 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 185 D C 1.050 177.335 176.300 -0.025 0.000 1.060 185 D CA 2.499 56.491 54.000 -0.013 0.000 0.765 185 D CB -0.317 40.479 40.800 -0.007 0.000 1.160 185 D HN 0.688 nan 8.370 nan 0.000 0.523 186 G N 3.042 111.834 108.800 -0.012 0.000 2.245 186 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.130 186 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.130 186 G C 0.005 174.901 174.900 -0.007 0.000 1.040 186 G CA -0.103 44.989 45.100 -0.013 0.000 0.713 186 G HN 0.794 nan 8.290 nan 0.000 0.488 187 D N 0.322 120.726 120.400 0.006 0.000 4.428 187 D HA 0.274 4.914 4.640 -0.000 0.000 0.170 187 D C 0.569 176.882 176.300 0.022 0.000 1.041 187 D CA 2.528 56.541 54.000 0.021 0.000 0.673 187 D CB 0.203 41.021 40.800 0.030 0.000 1.183 187 D HN 0.809 nan 8.370 nan 0.000 0.623 188 S N 2.157 117.876 115.700 0.032 0.000 2.627 188 S HA 0.334 4.804 4.470 -0.000 0.000 0.268 188 S C -2.170 172.468 174.600 0.062 0.000 1.130 188 S CA -1.025 57.197 58.200 0.036 0.000 0.819 188 S CB 1.012 64.219 63.200 0.013 0.000 1.100 188 S HN 0.297 nan 8.310 nan 0.000 0.465 189 D N 2.473 122.918 120.400 0.075 0.000 2.233 189 D HA 0.400 5.040 4.640 -0.000 0.000 0.240 189 D C 0.785 177.148 176.300 0.105 0.000 1.074 189 D CA -0.541 53.530 54.000 0.118 0.000 0.838 189 D CB 1.297 42.176 40.800 0.131 0.000 1.124 189 D HN 0.389 nan 8.370 nan 0.000 0.475 190 M N 0.707 120.399 119.600 0.154 0.000 2.394 190 M HA 0.169 4.649 4.480 -0.000 0.000 0.266 190 M C 0.839 177.225 176.300 0.143 0.000 1.098 190 M CA 0.691 56.073 55.300 0.137 0.000 1.149 190 M CB 0.057 32.776 32.600 0.198 0.000 1.369 190 M HN 0.396 nan 8.290 nan 0.000 0.450 191 G N 0.101 109.042 108.800 0.236 0.000 2.620 191 G HA2 0.620 4.580 3.960 -0.000 0.000 0.301 191 G HA3 0.620 4.580 3.960 -0.000 0.000 0.301 191 G C -1.767 173.205 174.900 0.121 0.000 1.347 191 G CA -0.245 44.929 45.100 0.123 0.000 0.971 191 G HN 0.077 nan 8.290 nan 0.000 0.488 192 I N 0.589 120.970 120.570 -0.315 0.000 2.607 192 I HA 0.539 4.709 4.170 -0.000 0.000 0.290 192 I C -1.372 174.514 176.117 -0.386 0.000 1.129 192 I CA -0.989 60.268 61.300 -0.071 0.000 1.042 192 I CB 1.931 39.933 38.000 0.003 0.000 1.242 192 I HN 0.530 nan 8.210 nan 0.000 0.421 193 W N 8.527 129.809 121.300 -0.029 0.000 2.362 193 W HA 0.548 5.208 4.660 -0.000 0.000 0.316 193 W C -1.299 175.191 176.519 -0.049 0.000 1.024 193 W CA -0.618 56.678 57.345 -0.083 0.000 1.270 193 W CB 1.557 30.905 29.460 -0.187 0.000 1.273 193 W HN 0.155 nan 8.180 nan 0.000 0.424 194 L N 2.832 124.087 121.223 0.055 0.000 2.329 194 L HA 0.523 4.863 4.340 -0.000 0.000 0.279 194 L C 0.312 177.219 176.870 0.062 0.000 1.014 194 L CA -0.558 54.316 54.840 0.056 0.000 0.814 194 L CB 1.853 43.940 42.059 0.047 0.000 1.257 194 L HN 0.164 nan 8.230 nan 0.000 0.424 195 S N 0.526 116.115 115.700 -0.186 0.000 2.513 195 S HA 0.449 4.918 4.470 -0.000 0.000 0.299 195 S C 0.141 174.434 174.600 -0.512 0.000 1.087 195 S CA -0.735 57.242 58.200 -0.372 0.000 1.012 195 S CB 1.373 64.201 63.200 -0.620 0.000 1.044 195 S HN 0.808 nan 8.310 nan 0.000 0.485 196 C N 2.439 121.354 119.300 -0.641 0.000 2.863 196 C HA 0.734 5.194 4.460 -0.000 0.000 0.284 196 C C 0.706 175.495 174.990 -0.335 0.000 1.426 196 C CA 0.094 58.620 59.018 -0.821 0.000 1.782 196 C CB -2.221 24.521 27.740 -1.664 0.000 2.554 196 C HN 0.769 nan 8.230 nan 0.000 0.566 197 S N -0.334 115.265 115.700 -0.168 0.000 3.497 197 S HA 0.380 4.849 4.470 -0.000 0.000 0.319 197 S C 0.122 174.695 174.600 -0.045 0.000 1.195 197 S CA 0.153 58.279 58.200 -0.123 0.000 1.118 197 S CB -0.134 62.922 63.200 -0.239 0.000 1.495 197 S HN 0.645 nan 8.310 nan 0.000 0.655 198 H N 0.289 119.267 119.070 -0.153 0.000 2.505 198 H HA 0.503 5.058 4.556 -0.000 0.000 0.286 198 H C -0.364 174.892 175.328 -0.120 0.000 1.072 198 H CA -0.618 55.252 56.048 -0.297 0.000 1.141 198 H CB -0.096 29.189 29.762 -0.795 0.000 1.550 198 H HN 0.268 nan 8.280 nan 0.000 0.547 199 K N 1.043 121.349 120.400 -0.157 0.000 2.154 199 K HA 0.079 4.399 4.320 -0.000 0.000 0.264 199 K C 1.069 177.635 176.600 -0.057 0.000 1.008 199 K CA -0.129 56.113 56.287 -0.075 0.000 0.937 199 K CB 2.966 35.409 32.500 -0.095 0.000 1.002 199 K HN -0.020 nan 8.250 nan 0.000 0.469 200 V N 2.803 122.676 119.914 -0.068 0.000 2.568 200 V HA -0.170 3.949 4.120 -0.000 0.000 0.253 200 V C 0.058 176.168 176.094 0.028 0.000 1.072 200 V CA 1.837 64.028 62.300 -0.181 0.000 1.084 200 V CB -0.660 30.936 31.823 -0.378 0.000 0.676 200 V HN 0.923 nan 8.190 nan 0.000 0.469 201 H N -2.565 116.391 119.070 -0.189 0.000 3.093 201 H HA 0.313 4.868 4.556 -0.000 0.000 0.312 201 H C -0.810 174.427 175.328 -0.152 0.000 1.213 201 H CA -0.581 55.361 56.048 -0.177 0.000 1.366 201 H CB 0.153 29.824 29.762 -0.152 0.000 1.998 201 H HN 0.136 nan 8.280 nan 0.000 0.522 202 D N 1.703 122.057 120.400 -0.076 0.000 2.417 202 D HA 0.270 4.909 4.640 -0.000 0.000 0.207 202 D C 0.432 176.810 176.300 0.130 0.000 1.075 202 D CA 0.504 54.539 54.000 0.059 0.000 0.851 202 D CB 1.702 42.649 40.800 0.245 0.000 0.976 202 D HN 0.453 nan 8.370 nan 0.000 0.505 203 I N -0.165 120.383 120.570 -0.036 0.000 2.897 203 I HA 0.450 4.620 4.170 -0.000 0.000 0.299 203 I C -2.218 173.654 176.117 -0.408 0.000 1.527 203 I CA -0.577 60.570 61.300 -0.255 0.000 0.979 203 I CB 2.013 39.912 38.000 -0.168 0.000 1.360 203 I HN -0.153 nan 8.210 nan 0.000 0.495 204 A N 4.541 126.934 122.820 -0.712 0.000 2.572 204 A HA 0.889 5.208 4.320 -0.000 0.000 0.295 204 A C -2.084 174.865 177.584 -1.058 0.000 1.072 204 A CA -0.338 51.206 52.037 -0.820 0.000 0.691 204 A CB 1.349 19.699 19.000 -1.084 0.000 1.291 204 A HN 0.490 nan 8.150 nan 0.000 0.404 205 F N 0.055 119.624 119.950 -0.635 0.000 2.576 205 F HA 0.675 5.201 4.527 -0.000 0.000 0.313 205 F C -0.187 175.324 175.800 -0.482 0.000 1.078 205 F CA -0.661 57.060 58.000 -0.466 0.000 0.921 205 F CB 2.698 41.496 39.000 -0.337 0.000 1.232 205 F HN 0.355 nan 8.300 nan 0.000 0.459 206 V N 1.299 121.057 119.914 -0.259 0.000 2.638 206 V HA 0.329 4.448 4.120 -0.000 0.000 0.306 206 V C -0.558 175.388 176.094 -0.247 0.000 1.052 206 V CA -1.007 61.068 62.300 -0.375 0.000 0.885 206 V CB 1.802 33.144 31.823 -0.803 0.000 0.999 206 V HN 0.659 nan 8.190 nan 0.000 0.424 207 E N 3.201 123.347 120.200 -0.089 0.000 2.465 207 E HA 0.210 4.559 4.350 -0.000 0.000 0.260 207 E C -1.468 175.190 176.600 0.095 0.000 0.980 207 E CA 0.772 57.182 56.400 0.016 0.000 0.927 207 E CB 0.245 29.958 29.700 0.022 0.000 0.934 207 E HN 0.530 nan 8.360 nan 0.000 0.459 208 Y N 4.025 124.323 120.300 -0.004 0.000 2.521 208 Y HA 0.256 4.806 4.550 -0.000 0.000 0.328 208 Y C -2.305 173.647 175.900 0.087 0.000 1.151 208 Y CA -1.933 56.208 58.100 0.068 0.000 1.054 208 Y CB 1.842 40.404 38.460 0.171 0.000 1.338 208 Y HN 0.472 nan 8.280 nan 0.000 0.453 209 P HA -0.136 nan 4.420 nan 0.000 0.208 209 P C -0.566 176.704 177.300 -0.051 0.000 1.189 209 P CA 1.562 64.523 63.100 -0.232 0.000 0.931 209 P CB 0.203 31.684 31.700 -0.365 0.000 0.783 210 E N 0.385 120.577 120.200 -0.014 0.000 2.436 210 E HA 0.027 4.377 4.350 -0.000 0.000 0.262 210 E C 0.014 176.749 176.600 0.224 0.000 1.063 210 E CA 0.517 57.011 56.400 0.157 0.000 0.944 210 E CB 0.265 30.119 29.700 0.257 0.000 0.950 210 E HN 0.178 nan 8.360 nan 0.000 0.444 211 K N -0.263 120.201 120.400 0.106 0.000 2.168 211 K HA 0.387 4.707 4.320 -0.000 0.000 0.239 211 K C 0.733 177.284 176.600 -0.080 0.000 0.999 211 K CA -0.113 56.184 56.287 0.017 0.000 0.900 211 K CB 1.313 33.802 32.500 -0.019 0.000 1.111 211 K HN 0.704 nan 8.250 nan 0.000 0.452 212 G N 0.919 109.472 108.800 -0.412 0.000 2.186 212 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.266 212 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.266 212 G C -0.213 174.636 174.900 -0.084 0.000 0.982 212 G CA 0.327 45.156 45.100 -0.452 0.000 0.670 212 G HN 0.321 nan 8.290 nan 0.000 0.533 213 K N -0.133 120.332 120.400 0.108 0.000 2.322 213 K HA 0.441 4.761 4.320 -0.000 0.000 0.283 213 K C 0.154 176.901 176.600 0.245 0.000 1.042 213 K CA -0.686 55.710 56.287 0.181 0.000 0.958 213 K CB 1.693 34.275 32.500 0.136 0.000 0.984 213 K HN 0.335 nan 8.250 nan 0.000 0.473 214 L N 2.701 123.957 121.223 0.055 0.000 2.282 214 L HA 0.219 4.559 4.340 -0.000 0.000 0.288 214 L C 1.050 177.821 176.870 -0.165 0.000 1.033 214 L CA 0.140 54.956 54.840 -0.040 0.000 0.807 214 L CB 1.068 43.107 42.059 -0.032 0.000 1.209 214 L HN 0.681 nan 8.230 nan 0.000 0.423 215 H N 4.200 123.084 119.070 -0.311 0.000 2.370 215 H HA 0.206 4.762 4.556 -0.000 0.000 0.304 215 H C -0.238 174.997 175.328 -0.156 0.000 1.055 215 H CA 1.552 57.368 56.048 -0.386 0.000 1.373 215 H CB 0.316 29.836 29.762 -0.402 0.000 1.423 215 H HN 0.786 nan 8.280 nan 0.000 0.533 216 H N -3.156 115.824 119.070 -0.151 0.000 2.951 216 H HA 0.202 4.758 4.556 -0.000 0.000 0.292 216 H C -1.576 173.681 175.328 -0.118 0.000 1.412 216 H CA -0.796 55.170 56.048 -0.136 0.000 1.206 216 H CB -0.092 29.530 29.762 -0.233 0.000 1.862 216 H HN 0.181 nan 8.280 nan 0.000 0.502 217 C N 1.270 120.584 119.300 0.023 0.000 2.382 217 C HA 0.666 5.126 4.460 -0.000 0.000 0.327 217 C C 0.639 175.602 174.990 -0.045 0.000 1.250 217 C CA -0.305 58.641 59.018 -0.120 0.000 1.707 217 C CB 1.118 28.917 27.740 0.098 0.000 2.272 217 C HN 0.663 nan 8.230 nan 0.000 0.506 218 S N 1.508 116.951 115.700 -0.428 0.000 2.537 218 S HA 0.854 5.324 4.470 -0.000 0.000 0.301 218 S C -1.294 172.953 174.600 -0.588 0.000 1.092 218 S CA -0.361 57.627 58.200 -0.353 0.000 1.048 218 S CB 0.424 63.161 63.200 -0.771 0.000 1.053 218 S HN 0.477 nan 8.310 nan 0.000 0.501 219 F N 2.886 122.851 119.950 0.024 0.000 2.520 219 F HA 0.530 5.056 4.527 -0.000 0.000 0.322 219 F C -0.155 175.743 175.800 0.162 0.000 1.103 219 F CA -0.938 57.096 58.000 0.057 0.000 0.926 219 F CB 1.507 40.538 39.000 0.051 0.000 1.154 219 F HN 0.443 nan 8.300 nan 0.000 0.453 220 L N 3.785 125.188 121.223 0.299 0.000 2.349 220 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 220 L C -1.136 175.877 176.870 0.239 0.000 1.115 220 L CA -0.076 54.954 54.840 0.318 0.000 0.820 220 L CB 0.405 42.615 42.059 0.252 0.000 1.135 220 L HN 0.490 nan 8.230 nan 0.000 0.445 221 L N 3.388 124.735 121.223 0.206 0.000 2.313 221 L HA 0.448 4.787 4.340 -0.000 0.000 0.268 221 L C 1.239 178.179 176.870 0.118 0.000 1.010 221 L CA -0.072 54.856 54.840 0.148 0.000 0.814 221 L CB 1.521 43.653 42.059 0.122 0.000 1.304 221 L HN 0.643 nan 8.230 nan 0.000 0.441 222 E N 0.012 120.276 120.200 0.107 0.000 2.047 222 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 222 E C 0.156 176.807 176.600 0.085 0.000 0.987 222 E CA 1.141 57.599 56.400 0.098 0.000 0.799 222 E CB 0.247 30.001 29.700 0.090 0.000 0.752 222 E HN 0.658 nan 8.360 nan 0.000 0.449 223 S N -2.426 113.323 115.700 0.081 0.000 2.688 223 S HA 0.139 4.609 4.470 -0.000 0.000 0.275 223 S C 0.201 174.904 174.600 0.172 0.000 1.175 223 S CA -0.832 57.434 58.200 0.110 0.000 0.818 223 S CB 0.263 63.519 63.200 0.094 0.000 1.157 223 S HN 0.397 nan 8.310 nan 0.000 0.482 224 W N 0.950 122.221 121.300 -0.049 0.000 2.358 224 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 224 W C 1.576 178.063 176.519 -0.053 0.000 1.208 224 W CA 1.865 59.173 57.345 -0.061 0.000 1.274 224 W CB -0.097 29.329 29.460 -0.055 0.000 1.138 224 W HN 0.945 nan 8.180 nan 0.000 0.515 225 E N 0.019 120.191 120.200 -0.047 0.000 2.150 225 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 225 E C 2.027 178.517 176.600 -0.182 0.000 0.985 225 E CA 1.194 57.475 56.400 -0.198 0.000 0.814 225 E CB -0.120 29.526 29.700 -0.090 0.000 0.752 225 E HN 0.136 nan 8.360 nan 0.000 0.466 226 Q N -0.051 119.695 119.800 -0.091 0.000 2.167 226 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 226 Q C 1.913 177.851 176.000 -0.103 0.000 0.970 226 Q CA 0.834 56.590 55.803 -0.079 0.000 0.855 226 Q CB 0.135 28.863 28.738 -0.017 0.000 0.911 226 Q HN 0.130 nan 8.270 nan 0.000 0.438 227 V N 0.318 120.158 119.914 -0.123 0.000 2.358 227 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 227 V C 2.143 178.062 176.094 -0.293 0.000 1.047 227 V CA 1.456 63.663 62.300 -0.155 0.000 1.035 227 V CB -0.730 31.047 31.823 -0.075 0.000 0.658 227 V HN 0.375 nan 8.190 nan 0.000 0.452 228 L N 0.955 121.901 121.223 -0.461 0.000 2.012 228 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 228 L C 2.615 179.337 176.870 -0.247 0.000 1.073 228 L CA 2.432 57.022 54.840 -0.417 0.000 0.748 228 L CB -0.770 41.010 42.059 -0.465 0.000 0.891 228 L HN 0.288 nan 8.230 nan 0.000 0.431 229 R N -0.359 120.018 120.500 -0.205 0.000 2.105 229 R HA -0.175 4.164 4.340 -0.000 0.000 0.239 229 R C 2.107 178.329 176.300 -0.130 0.000 1.135 229 R CA 1.508 57.517 56.100 -0.152 0.000 0.967 229 R CB -0.486 29.731 30.300 -0.138 0.000 0.861 229 R HN 0.525 nan 8.270 nan 0.000 0.442 230 A N 0.319 123.066 122.820 -0.121 0.000 1.902 230 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 230 A C 2.393 179.925 177.584 -0.086 0.000 1.181 230 A CA 1.604 53.589 52.037 -0.088 0.000 0.623 230 A CB -1.191 17.778 19.000 -0.052 0.000 0.818 230 A HN 0.597 nan 8.150 nan 0.000 0.443 231 G N -0.265 108.467 108.800 -0.114 0.000 2.418 231 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 231 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 231 G C 1.150 175.997 174.900 -0.088 0.000 1.158 231 G CA 1.150 46.187 45.100 -0.104 0.000 0.771 231 G HN 0.457 nan 8.290 nan 0.000 0.545 232 D N 0.773 121.112 120.400 -0.102 0.000 2.117 232 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 232 D C 2.536 178.792 176.300 -0.073 0.000 0.987 232 D CA 0.605 54.553 54.000 -0.087 0.000 0.829 232 D CB -0.168 40.574 40.800 -0.097 0.000 0.961 232 D HN 0.371 nan 8.370 nan 0.000 0.460 233 I N 0.399 120.918 120.570 -0.084 0.000 2.286 233 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 233 I C 2.475 178.556 176.117 -0.059 0.000 1.115 233 I CA 0.720 61.967 61.300 -0.088 0.000 1.392 233 I CB -0.143 37.784 38.000 -0.121 0.000 1.065 233 I HN -0.047 nan 8.210 nan 0.000 0.418 234 M N -0.442 119.137 119.600 -0.035 0.000 2.099 234 M HA -0.198 4.282 4.480 -0.000 0.000 0.262 234 M C 2.593 178.906 176.300 0.022 0.000 1.067 234 M CA 1.647 56.958 55.300 0.019 0.000 1.124 234 M CB -0.398 32.221 32.600 0.032 0.000 1.353 234 M HN 0.160 nan 8.290 nan 0.000 0.410 235 S N 0.484 116.181 115.700 -0.005 0.000 2.353 235 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 235 S C 1.899 176.499 174.600 -0.001 0.000 1.035 235 S CA 1.444 59.643 58.200 -0.002 0.000 1.025 235 S CB -0.172 63.016 63.200 -0.020 0.000 0.902 235 S HN 0.380 nan 8.310 nan 0.000 0.440 236 M N 0.752 120.342 119.600 -0.017 0.000 2.260 236 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 236 M C 0.846 177.146 176.300 -0.000 0.000 1.066 236 M CA 1.448 56.737 55.300 -0.018 0.000 1.082 236 M CB -0.494 32.084 32.600 -0.038 0.000 1.388 236 M HN 0.303 nan 8.290 nan 0.000 0.419 237 N N -0.086 118.622 118.700 0.014 0.000 2.251 237 N HA 0.021 4.761 4.740 -0.000 0.000 0.217 237 N C -0.541 175.016 175.510 0.078 0.000 1.124 237 N CA -0.032 53.046 53.050 0.047 0.000 0.843 237 N CB 0.490 39.002 38.487 0.042 0.000 1.024 237 N HN 0.096 nan 8.380 nan 0.000 0.501 238 E N -1.650 118.585 120.200 0.058 0.000 3.170 238 E HA -0.174 4.176 4.350 -0.000 0.000 0.284 238 E C -0.629 176.026 176.600 0.092 0.000 0.967 238 E CA 0.371 56.807 56.400 0.060 0.000 0.919 238 E CB -2.111 27.617 29.700 0.048 0.000 1.469 238 E HN 0.128 nan 8.360 nan 0.000 0.444 239 V N 1.874 121.866 119.914 0.129 0.000 2.485 239 V HA -0.022 4.098 4.120 -0.000 0.000 0.287 239 V C 1.029 177.217 176.094 0.157 0.000 1.022 239 V CA 0.309 62.723 62.300 0.190 0.000 1.067 239 V CB 0.196 32.198 31.823 0.298 0.000 0.967 239 V HN 0.177 nan 8.190 nan 0.000 0.479 240 N N 3.642 122.451 118.700 0.181 0.000 2.440 240 N HA 0.189 4.929 4.740 -0.000 0.000 0.265 240 N C -0.548 175.126 175.510 0.273 0.000 1.239 240 N CA -0.380 52.810 53.050 0.233 0.000 0.909 240 N CB 0.825 39.473 38.487 0.268 0.000 1.066 240 N HN 0.469 nan 8.380 nan 0.000 0.474 241 V N 2.117 122.127 119.914 0.161 0.000 2.481 241 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 241 V C 0.891 176.968 176.094 -0.028 0.000 1.042 241 V CA -0.402 61.900 62.300 0.002 0.000 0.928 241 V CB 1.689 33.493 31.823 -0.033 0.000 0.986 241 V HN 0.700 nan 8.190 nan 0.000 0.462 242 D N 2.865 123.032 120.400 -0.387 0.000 2.255 242 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 242 D C 0.314 176.513 176.300 -0.168 0.000 0.997 242 D CA 1.044 54.752 54.000 -0.486 0.000 0.906 242 D CB 0.376 40.488 40.800 -1.147 0.000 1.047 242 D HN 0.295 nan 8.370 nan 0.000 0.458 243 I N 1.577 122.039 120.570 -0.181 0.000 2.382 243 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 243 I C 1.140 177.151 176.117 -0.177 0.000 1.002 243 I CA -0.833 60.369 61.300 -0.163 0.000 1.135 243 I CB 0.627 38.469 38.000 -0.263 0.000 1.288 243 I HN -0.052 nan 8.210 nan 0.000 0.448 244 G N 7.749 116.479 108.800 -0.117 0.000 2.750 244 G HA2 0.203 4.163 3.960 -0.000 0.000 0.250 244 G HA3 0.203 4.163 3.960 -0.000 0.000 0.250 244 G C -2.327 172.514 174.900 -0.098 0.000 1.230 244 G CA -0.561 44.481 45.100 -0.097 0.000 0.883 244 G HN 0.472 nan 8.290 nan 0.000 0.573 245 P HA 0.143 nan 4.420 nan 0.000 0.261 245 P C -0.140 177.253 177.300 0.156 0.000 1.203 245 P CA 0.645 63.743 63.100 -0.003 0.000 0.767 245 P CB 0.944 32.550 31.700 -0.157 0.000 0.785 246 T N 1.542 116.191 114.554 0.159 0.000 2.718 246 T HA 0.421 4.771 4.350 -0.000 0.000 0.306 246 T C -0.854 173.754 174.700 -0.154 0.000 1.485 246 T CA -0.807 61.327 62.100 0.056 0.000 0.997 246 T CB 1.539 70.374 68.868 -0.056 0.000 1.504 246 T HN 0.476 nan 8.240 nan 0.000 0.497 247 R N 0.327 120.699 120.500 -0.213 0.000 2.608 247 R HA 0.574 4.914 4.340 -0.000 0.000 0.255 247 R C 0.709 176.877 176.300 -0.221 0.000 1.086 247 R CA 0.004 55.939 56.100 -0.275 0.000 1.125 247 R CB 0.467 30.618 30.300 -0.248 0.000 1.193 247 R HN 0.720 nan 8.270 nan 0.000 0.553 248 H N -0.485 118.485 119.070 -0.167 0.000 2.297 248 H HA 0.288 4.843 4.556 -0.000 0.000 0.317 248 H C 0.925 176.099 175.328 -0.257 0.000 1.062 248 H CA 1.684 57.605 56.048 -0.211 0.000 1.431 248 H CB 0.701 30.328 29.762 -0.225 0.000 1.452 248 H HN 0.795 nan 8.280 nan 0.000 0.565 249 G N 0.010 108.753 108.800 -0.096 0.000 2.882 249 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.198 249 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.198 249 G C -0.253 174.404 174.900 -0.405 0.000 1.977 249 G CA 0.078 45.026 45.100 -0.253 0.000 1.541 249 G HN 0.319 nan 8.290 nan 0.000 0.567 250 V N 3.288 122.676 119.914 -0.876 0.000 2.572 250 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 250 V C 1.887 177.667 176.094 -0.524 0.000 1.039 250 V CA 2.197 63.996 62.300 -0.834 0.000 1.055 250 V CB 0.392 31.330 31.823 -1.475 0.000 0.969 250 V HN 2.288 nan 8.190 nan 0.000 0.482 251 T N 1.976 116.372 114.554 -0.265 0.000 7.679 251 T HA -0.366 3.984 4.350 -0.000 0.000 0.300 251 T C 0.936 175.605 174.700 -0.050 0.000 2.098 251 T CA 1.414 63.385 62.100 -0.214 0.000 3.313 251 T CB -1.569 67.077 68.868 -0.371 0.000 1.898 251 T HN 1.054 nan 8.240 nan 0.000 1.144 252 R N 0.145 120.633 120.500 -0.021 0.000 4.010 252 R HA -0.142 4.198 4.340 -0.000 0.000 0.409 252 R C 0.946 177.175 176.300 -0.120 0.000 1.120 252 R CA 1.184 57.242 56.100 -0.069 0.000 1.244 252 R CB -2.344 27.949 30.300 -0.013 0.000 1.799 252 R HN 1.305 nan 8.270 nan 0.000 0.559 253 G N 0.747 109.521 108.800 -0.044 0.000 2.365 253 G HA2 0.297 4.257 3.960 -0.000 0.000 0.249 253 G HA3 0.297 4.257 3.960 -0.000 0.000 0.249 253 G C 0.439 175.177 174.900 -0.270 0.000 1.288 253 G CA -0.191 44.780 45.100 -0.214 0.000 0.887 253 G HN 0.242 nan 8.290 nan 0.000 0.524 254 C N 0.923 119.967 119.300 -0.426 0.000 2.520 254 C HA 0.850 5.310 4.460 -0.000 0.000 0.376 254 C C 1.001 175.857 174.990 -0.224 0.000 1.268 254 C CA -0.055 58.765 59.018 -0.330 0.000 2.414 254 C CB 1.056 28.625 27.740 -0.284 0.000 2.521 254 C HN 0.973 nan 8.230 nan 0.000 0.618 255 T N 0.798 115.274 114.554 -0.130 0.000 2.700 255 T HA 0.610 4.960 4.350 -0.000 0.000 0.307 255 T C -2.083 172.542 174.700 -0.125 0.000 1.580 255 T CA -0.406 61.641 62.100 -0.087 0.000 0.992 255 T CB 0.679 69.442 68.868 -0.174 0.000 1.577 255 T HN 0.567 nan 8.240 nan 0.000 0.496 256 I N 2.477 122.977 120.570 -0.116 0.000 2.611 256 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 256 I C -1.280 174.753 176.117 -0.140 0.000 1.184 256 I CA -0.786 60.416 61.300 -0.164 0.000 1.054 256 I CB 1.990 39.916 38.000 -0.123 0.000 1.257 256 I HN 0.659 nan 8.210 nan 0.000 0.435 257 Y N 4.802 124.885 120.300 -0.360 0.000 2.326 257 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 257 Y C 0.558 176.044 175.900 -0.690 0.000 1.023 257 Y CA -0.856 56.916 58.100 -0.547 0.000 1.143 257 Y CB 1.799 39.952 38.460 -0.512 0.000 1.183 257 Y HN 0.649 nan 8.280 nan 0.000 0.485 258 A N 4.576 126.934 122.820 -0.771 0.000 2.527 258 A HA 0.630 4.949 4.320 -0.000 0.000 0.293 258 A C -1.849 175.335 177.584 -0.667 0.000 1.117 258 A CA -0.714 50.895 52.037 -0.713 0.000 0.723 258 A CB 1.507 20.161 19.000 -0.577 0.000 1.313 258 A HN 0.756 nan 8.150 nan 0.000 0.411 259 W N 1.555 122.822 121.300 -0.056 0.000 2.551 259 W HA 0.388 5.048 4.660 -0.001 0.000 0.330 259 W C -0.465 176.104 176.519 0.084 0.000 1.063 259 W CA -0.345 57.026 57.345 0.045 0.000 1.222 259 W CB 1.774 31.208 29.460 -0.043 0.000 1.349 259 W HN 0.956 nan 8.180 nan 0.000 0.536 260 D N 1.603 122.106 120.400 0.171 0.000 2.411 260 D HA 0.207 4.847 4.640 -0.000 0.000 0.251 260 D C -1.829 174.206 176.300 -0.441 0.000 1.201 260 D CA -1.638 51.983 54.000 -0.631 0.000 0.996 260 D CB 0.502 40.886 40.800 -0.693 0.000 1.101 260 D HN -0.048 nan 8.370 nan 0.000 0.504 261 P HA -0.078 nan 4.420 nan 0.000 0.217 261 P C 0.992 178.195 177.300 -0.161 0.000 1.148 261 P CA 1.342 64.266 63.100 -0.293 0.000 0.828 261 P CB 0.123 31.670 31.700 -0.256 0.000 0.783 262 S N -2.325 113.295 115.700 -0.133 0.000 2.558 262 S HA 0.259 4.729 4.470 -0.000 0.000 0.217 262 S C 1.604 176.168 174.600 -0.059 0.000 0.975 262 S CA 0.787 58.949 58.200 -0.065 0.000 0.912 262 S CB -0.351 62.840 63.200 -0.016 0.000 0.776 262 S HN 0.347 nan 8.310 nan 0.000 0.526 263 G N 1.709 110.477 108.800 -0.055 0.000 2.179 263 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.220 263 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.220 263 G C -0.271 174.702 174.900 0.122 0.000 0.990 263 G CA -0.548 44.515 45.100 -0.061 0.000 0.646 263 G HN 0.523 nan 8.290 nan 0.000 0.517 264 N N 0.822 119.617 118.700 0.158 0.000 2.475 264 N HA 0.412 5.152 4.740 -0.000 0.000 0.267 264 N C 0.404 176.129 175.510 0.358 0.000 1.169 264 N CA -0.211 52.973 53.050 0.225 0.000 0.947 264 N CB 0.620 39.245 38.487 0.230 0.000 1.061 264 N HN 0.405 nan 8.380 nan 0.000 0.466 265 R N 2.976 123.627 120.500 0.251 0.000 2.410 265 R HA 0.336 4.675 4.340 -0.000 0.000 0.288 265 R C -0.995 175.433 176.300 0.213 0.000 1.051 265 R CA -0.294 55.828 56.100 0.036 0.000 1.021 265 R CB 0.380 30.455 30.300 -0.374 0.000 1.032 265 R HN 0.606 nan 8.270 nan 0.000 0.481 266 F N -0.107 119.837 119.950 -0.010 0.000 2.650 266 F HA 0.574 5.100 4.527 -0.001 0.000 0.320 266 F C -1.088 174.750 175.800 0.062 0.000 1.091 266 F CA -1.128 56.965 58.000 0.156 0.000 0.962 266 F CB 1.464 40.647 39.000 0.306 0.000 1.363 266 F HN 0.473 nan 8.300 nan 0.000 0.482 267 E N 0.554 120.908 120.200 0.256 0.000 2.317 267 E HA 0.479 4.829 4.350 -0.000 0.000 0.270 267 E C -1.678 175.131 176.600 0.349 0.000 0.885 267 E CA -1.031 55.457 56.400 0.147 0.000 0.760 267 E CB 2.377 32.183 29.700 0.177 0.000 1.227 267 E HN 0.839 nan 8.360 nan 0.000 0.434 268 T N 1.603 116.307 114.554 0.251 0.000 2.821 268 T HA 0.507 4.857 4.350 -0.000 0.000 0.307 268 T C -0.701 174.187 174.700 0.313 0.000 1.034 268 T CA -0.662 61.610 62.100 0.287 0.000 0.953 268 T CB 0.000 68.969 68.868 0.168 0.000 0.968 268 T HN 0.349 nan 8.240 nan 0.000 0.462 269 F N 4.599 124.656 119.950 0.177 0.000 2.561 269 F HA 0.848 5.375 4.527 -0.000 0.000 0.321 269 F C -0.917 174.983 175.800 0.167 0.000 1.065 269 F CA -1.369 56.741 58.000 0.183 0.000 0.934 269 F CB 2.192 41.346 39.000 0.256 0.000 1.215 269 F HN 0.855 nan 8.300 nan 0.000 0.471 270 M N 3.565 122.698 119.600 -0.779 0.000 2.694 270 M HA 0.790 5.270 4.480 -0.000 0.000 0.276 270 M C -0.546 175.416 176.300 -0.563 0.000 1.167 270 M CA 0.111 55.145 55.300 -0.443 0.000 0.849 270 M CB 1.501 34.049 32.600 -0.087 0.000 1.705 270 M HN 1.598 nan 8.290 nan 0.000 0.504 271 G N -0.011 108.630 108.800 -0.266 0.000 2.660 271 G HA2 0.540 4.500 3.960 -0.000 0.000 0.215 271 G HA3 0.540 4.500 3.960 -0.000 0.000 0.215 271 G C 0.244 175.036 174.900 -0.179 0.000 1.345 271 G CA 0.089 45.066 45.100 -0.206 0.000 0.877 271 G HN 3.170 nan 8.290 nan 0.000 0.549 272 G N -2.681 106.027 108.800 -0.154 0.000 2.587 272 G HA2 0.568 4.528 3.960 -0.000 0.000 0.686 272 G HA3 0.568 4.528 3.960 -0.000 0.000 0.686 272 G C -0.163 174.594 174.900 -0.238 0.000 1.236 272 G CA 0.288 45.287 45.100 -0.167 0.000 0.820 272 G HN 2.316 nan 8.290 nan 0.000 0.645 273 Y N -0.759 119.429 120.300 -0.185 0.000 2.378 273 Y HA 0.796 5.346 4.550 -0.000 0.000 0.351 273 Y C 0.915 176.574 175.900 -0.401 0.000 1.351 273 Y CA -0.729 57.199 58.100 -0.286 0.000 1.616 273 Y CB 0.725 39.154 38.460 -0.053 0.000 1.622 273 Y HN 0.571 nan 8.280 nan 0.000 0.568 274 H N 0.864 120.204 119.070 0.450 0.000 2.418 274 H HA 0.305 4.861 4.556 -0.000 0.000 0.238 274 H C -2.680 172.910 175.328 0.436 0.000 1.403 274 H CA -1.984 54.268 56.048 0.341 0.000 1.419 274 H CB 0.088 30.037 29.762 0.313 0.000 1.463 274 H HN 0.464 nan 8.280 nan 0.000 0.515 275 P HA 0.086 nan 4.420 nan 0.000 0.272 275 P C -0.601 176.744 177.300 0.076 0.000 1.230 275 P CA 0.148 63.578 63.100 0.549 0.000 0.788 275 P CB 1.234 33.299 31.700 0.608 0.000 0.949 276 Y N 0.001 120.100 120.300 -0.336 0.000 2.576 276 Y HA 0.291 4.841 4.550 -0.000 0.000 0.346 276 Y C -1.376 174.118 175.900 -0.678 0.000 1.018 276 Y CA -2.115 55.719 58.100 -0.444 0.000 1.050 276 Y CB 1.657 39.710 38.460 -0.679 0.000 1.280 276 Y HN 0.214 nan 8.280 nan 0.000 0.474 277 P HA -0.181 nan 4.420 nan 0.000 0.220 277 P C 0.540 177.580 177.300 -0.433 0.000 1.144 277 P CA 1.895 64.412 63.100 -0.972 0.000 0.800 277 P CB 0.213 31.621 31.700 -0.486 0.000 0.772 278 D N -2.989 117.279 120.400 -0.220 0.000 2.340 278 D HA -0.101 4.539 4.640 -0.000 0.000 0.220 278 D C 0.335 176.747 176.300 0.187 0.000 1.039 278 D CA -0.066 53.920 54.000 -0.023 0.000 0.866 278 D CB -0.555 40.248 40.800 0.005 0.000 0.913 278 D HN 0.248 nan 8.370 nan 0.000 0.523 279 Y N 1.101 121.414 120.300 0.022 0.000 2.301 279 Y HA 0.170 4.720 4.550 -0.000 0.000 0.325 279 Y C 1.127 177.095 175.900 0.113 0.000 1.203 279 Y CA -1.037 57.119 58.100 0.094 0.000 1.255 279 Y CB 0.989 39.561 38.460 0.187 0.000 1.232 279 Y HN -0.244 nan 8.280 nan 0.000 0.501 280 E N 4.081 124.419 120.200 0.230 0.000 2.331 280 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 280 E C -2.258 174.450 176.600 0.181 0.000 1.036 280 E CA -1.990 54.507 56.400 0.162 0.000 0.864 280 E CB 0.464 30.211 29.700 0.080 0.000 1.035 280 E HN 0.357 nan 8.360 nan 0.000 0.408 281 P HA 0.166 nan 4.420 nan 0.000 0.275 281 P C -0.205 177.165 177.300 0.117 0.000 1.228 281 P CA -0.145 63.073 63.100 0.196 0.000 0.786 281 P CB 0.733 32.556 31.700 0.205 0.000 0.927 282 L N 1.147 122.437 121.223 0.111 0.000 2.399 282 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 282 L C 0.740 177.649 176.870 0.064 0.000 1.089 282 L CA -0.324 54.531 54.840 0.026 0.000 0.802 282 L CB 0.824 42.877 42.059 -0.011 0.000 1.180 282 L HN 0.382 nan 8.230 nan 0.000 0.454 283 S N -0.521 115.154 115.700 -0.041 0.000 2.548 283 S HA 0.588 5.058 4.470 -0.000 0.000 0.286 283 S C -1.677 172.846 174.600 -0.128 0.000 1.098 283 S CA -0.635 57.588 58.200 0.039 0.000 0.930 283 S CB 1.538 64.766 63.200 0.047 0.000 1.070 283 S HN 0.373 nan 8.310 nan 0.000 0.480 284 W N 1.813 123.137 121.300 0.039 0.000 2.600 284 W HA 0.439 5.099 4.660 -0.000 0.000 0.325 284 W C 0.376 176.965 176.519 0.117 0.000 1.034 284 W CA -0.637 56.736 57.345 0.047 0.000 1.226 284 W CB 1.131 30.592 29.460 0.002 0.000 1.379 284 W HN 0.683 nan 8.180 nan 0.000 0.466 285 T N -0.636 114.075 114.554 0.262 0.000 2.926 285 T HA -0.041 4.309 4.350 -0.000 0.000 0.307 285 T C 0.706 175.605 174.700 0.331 0.000 1.059 285 T CA -0.172 62.074 62.100 0.244 0.000 1.122 285 T CB 0.863 69.826 68.868 0.158 0.000 0.972 285 T HN 0.465 nan 8.240 nan 0.000 0.545 286 Y N 2.700 123.106 120.300 0.175 0.000 2.114 286 Y HA -0.261 4.288 4.550 -0.000 0.000 0.282 286 Y C 2.143 178.135 175.900 0.153 0.000 1.165 286 Y CA 2.692 60.868 58.100 0.125 0.000 1.148 286 Y CB -0.681 37.782 38.460 0.004 0.000 0.972 286 Y HN 0.931 nan 8.280 nan 0.000 0.504 287 D N -0.961 119.587 120.400 0.245 0.000 2.190 287 D HA -0.266 4.374 4.640 -0.000 0.000 0.200 287 D C 1.267 177.645 176.300 0.130 0.000 0.992 287 D CA 1.796 55.891 54.000 0.159 0.000 0.854 287 D CB -0.874 40.015 40.800 0.150 0.000 0.936 287 D HN 0.303 nan 8.370 nan 0.000 0.462 288 N N -1.520 117.294 118.700 0.189 0.000 2.346 288 N HA 0.113 4.852 4.740 -0.000 0.000 0.225 288 N C 0.213 175.879 175.510 0.259 0.000 1.144 288 N CA -0.339 52.845 53.050 0.224 0.000 0.837 288 N CB -0.466 38.192 38.487 0.285 0.000 1.069 288 N HN 0.119 nan 8.380 nan 0.000 0.487 289 F N 0.902 120.830 119.950 -0.036 0.000 2.134 289 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 289 F C 2.139 177.877 175.800 -0.103 0.000 1.097 289 F CA 1.272 59.204 58.000 -0.112 0.000 1.264 289 F CB -0.243 38.576 39.000 -0.302 0.000 1.001 289 F HN 0.186 nan 8.300 nan 0.000 0.479 290 A N -0.512 122.335 122.820 0.046 0.000 1.978 290 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 290 A C 2.190 179.723 177.584 -0.085 0.000 1.170 290 A CA 1.930 53.950 52.037 -0.029 0.000 0.636 290 A CB -0.933 18.082 19.000 0.025 0.000 0.810 290 A HN 0.604 nan 8.150 nan 0.000 0.448 291 Q N -0.799 118.979 119.800 -0.036 0.000 2.245 291 Q HA -0.010 4.330 4.340 -0.000 0.000 0.201 291 Q C 1.981 177.859 176.000 -0.203 0.000 0.955 291 Q CA 0.954 56.747 55.803 -0.016 0.000 0.870 291 Q CB -0.381 28.457 28.738 0.167 0.000 0.945 291 Q HN 0.599 nan 8.270 nan 0.000 0.461 292 G N 1.363 109.901 108.800 -0.437 0.000 2.511 292 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 292 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 292 G C 1.303 175.791 174.900 -0.686 0.000 1.218 292 G CA 0.606 45.097 45.100 -1.016 0.000 0.788 292 G HN 0.345 nan 8.290 nan 0.000 0.560 293 L N -0.657 120.284 121.223 -0.471 0.000 2.109 293 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 293 L C 0.285 177.102 176.870 -0.089 0.000 1.086 293 L CA 0.795 55.508 54.840 -0.211 0.000 0.760 293 L CB 0.206 42.155 42.059 -0.183 0.000 0.910 293 L HN 0.131 nan 8.230 nan 0.000 0.437 294 D N -2.197 118.130 120.400 -0.120 0.000 2.375 294 D HA 0.036 4.675 4.640 -0.000 0.000 0.259 294 D C 0.315 176.586 176.300 -0.048 0.000 1.235 294 D CA -0.425 53.523 54.000 -0.086 0.000 0.924 294 D CB 0.904 41.650 40.800 -0.091 0.000 1.143 294 D HN 0.006 nan 8.370 nan 0.000 0.529 295 Y N 5.327 125.553 120.300 -0.123 0.000 2.070 295 Y HA -0.108 4.441 4.550 -0.000 0.000 0.280 295 Y C -0.795 175.076 175.900 -0.048 0.000 1.148 295 Y CA 2.091 60.149 58.100 -0.069 0.000 1.125 295 Y CB -0.843 37.580 38.460 -0.063 0.000 0.975 295 Y HN 0.347 nan 8.280 nan 0.000 0.492 296 P HA -0.133 nan 4.420 nan 0.000 0.217 296 P C -0.037 177.186 177.300 -0.128 0.000 1.150 296 P CA 1.529 64.564 63.100 -0.108 0.000 0.832 296 P CB -0.079 31.614 31.700 -0.012 0.000 0.787 297 Q N 0.000 119.743 119.800 -0.095 0.000 2.315 297 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 297 Q CA 0.000 55.759 55.803 -0.073 0.000 1.022 297 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 297 Q HN 0.000 nan 8.270 nan 0.000 0.481