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 3m2u_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA 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 0.000 177.573 177.584 -0.018 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 D N 2.035 122.410 120.400 -0.042 0.000 2.472 3 D HA 0.240 4.894 4.640 0.024 0.000 0.237 3 D C 0.227 176.426 176.300 -0.169 0.000 1.141 3 D CA 0.397 54.344 54.000 -0.088 0.000 0.875 3 D CB 0.595 41.338 40.800 -0.095 0.000 1.192 3 D HN 0.329 nan 8.370 nan 0.000 0.450 4 K N 1.725 121.949 120.400 -0.293 0.000 2.397 4 K HA 0.029 4.363 4.320 0.024 0.000 0.265 4 K C 1.375 177.618 176.600 -0.594 0.000 0.982 4 K CA -0.058 55.901 56.287 -0.547 0.000 0.931 4 K CB 0.278 32.090 32.500 -1.146 0.000 0.943 4 K HN 0.396 nan 8.250 nan 0.000 0.501 5 L N 1.304 122.263 121.223 -0.439 0.000 2.376 5 L HA -0.101 4.253 4.340 0.024 0.000 0.219 5 L C 1.643 178.422 176.870 -0.151 0.000 1.133 5 L CA 0.864 55.585 54.840 -0.200 0.000 0.816 5 L CB -0.418 41.630 42.059 -0.019 0.000 0.933 5 L HN 0.555 nan 8.230 nan 0.000 0.449 6 F N -2.472 117.453 119.950 -0.042 0.000 2.797 6 F HA 0.164 4.704 4.527 0.022 0.000 0.302 6 F C 1.958 177.719 175.800 -0.066 0.000 1.130 6 F CA -0.305 57.659 58.000 -0.060 0.000 1.387 6 F CB -0.801 38.137 39.000 -0.102 0.000 1.107 6 F HN -0.149 nan 8.300 nan 0.000 0.577 7 I N 1.478 121.949 120.570 -0.165 0.000 2.226 7 I HA -0.247 3.938 4.170 0.024 0.000 0.245 7 I C 1.863 178.008 176.117 0.047 0.000 1.100 7 I CA 1.095 62.367 61.300 -0.046 0.000 1.374 7 I CB -1.193 36.709 38.000 -0.163 0.000 1.057 7 I HN 0.233 nan 8.210 nan 0.000 0.413 8 N N 1.414 120.139 118.700 0.041 0.000 2.104 8 N HA -0.132 4.622 4.740 0.024 0.000 0.190 8 N C 1.928 177.525 175.510 0.145 0.000 1.024 8 N CA 1.726 54.825 53.050 0.082 0.000 0.853 8 N CB -0.316 38.229 38.487 0.096 0.000 1.008 8 N HN 0.372 nan 8.380 nan 0.000 0.424 9 A N 1.063 124.009 122.820 0.209 0.000 1.930 9 A HA -0.027 4.308 4.320 0.024 0.000 0.217 9 A C 2.368 180.042 177.584 0.149 0.000 1.175 9 A CA 0.828 53.039 52.037 0.291 0.000 0.627 9 A CB -0.642 18.490 19.000 0.219 0.000 0.815 9 A HN 0.216 nan 8.150 nan 0.000 0.443 10 L N -0.763 120.548 121.223 0.147 0.000 2.093 10 L HA -0.183 4.171 4.340 0.024 0.000 0.208 10 L C 2.493 179.429 176.870 0.110 0.000 1.085 10 L CA 1.571 56.499 54.840 0.147 0.000 0.755 10 L CB -0.467 41.739 42.059 0.244 0.000 0.904 10 L HN 0.364 nan 8.230 nan 0.000 0.435 11 K N -0.107 120.347 120.400 0.089 0.000 2.147 11 K HA -0.130 4.204 4.320 0.024 0.000 0.205 11 K C 2.069 178.653 176.600 -0.028 0.000 1.049 11 K CA 0.852 57.170 56.287 0.051 0.000 0.936 11 K CB 0.017 32.538 32.500 0.034 0.000 0.722 11 K HN 0.184 nan 8.250 nan 0.000 0.446 12 K N 1.008 121.353 120.400 -0.092 0.000 2.217 12 K HA -0.062 4.272 4.320 0.024 0.000 0.202 12 K C 1.753 178.209 176.600 -0.240 0.000 1.051 12 K CA 1.015 57.168 56.287 -0.224 0.000 0.952 12 K CB 0.120 32.332 32.500 -0.480 0.000 0.736 12 K HN 0.148 nan 8.250 nan 0.000 0.453 13 K N -0.536 119.677 120.400 -0.312 0.000 2.137 13 K HA 0.041 4.375 4.320 0.024 0.000 0.202 13 K C 0.149 176.360 176.600 -0.648 0.000 1.052 13 K CA 0.731 56.655 56.287 -0.606 0.000 0.961 13 K CB 0.193 32.204 32.500 -0.814 0.000 0.741 13 K HN -0.087 nan 8.250 nan 0.000 0.452 14 F N 0.139 120.075 119.950 -0.024 0.000 2.588 14 F HA 0.247 4.788 4.527 0.024 0.000 0.314 14 F C 1.070 176.850 175.800 -0.033 0.000 1.069 14 F CA -1.249 56.733 58.000 -0.029 0.000 0.931 14 F CB 1.444 40.436 39.000 -0.013 0.000 1.260 14 F HN -0.237 nan 8.300 nan 0.000 0.465 15 E N 0.479 120.778 120.200 0.164 0.000 2.150 15 E HA -0.102 4.262 4.350 0.024 0.000 0.193 15 E C -0.065 176.572 176.600 0.061 0.000 0.985 15 E CA 0.954 57.394 56.400 0.066 0.000 0.814 15 E CB 0.081 29.795 29.700 0.024 0.000 0.752 15 E HN 0.649 nan 8.360 nan 0.000 0.466 16 E N 0.857 121.097 120.200 0.067 0.000 2.392 16 E HA 0.082 4.447 4.350 0.024 0.000 0.259 16 E C -0.210 176.437 176.600 0.077 0.000 1.108 16 E CA -0.050 56.371 56.400 0.034 0.000 0.916 16 E CB 0.749 30.432 29.700 -0.028 0.000 0.989 16 E HN -0.174 nan 8.360 nan 0.000 0.432 17 S N 1.803 117.539 115.700 0.061 0.000 2.573 17 S HA 0.053 4.538 4.470 0.024 0.000 0.277 17 S C -1.531 173.147 174.600 0.131 0.000 1.346 17 S CA -1.270 56.986 58.200 0.093 0.000 1.034 17 S CB 0.383 63.627 63.200 0.073 0.000 0.879 17 S HN 0.382 nan 8.310 nan 0.000 0.528 18 P HA -0.010 nan 4.420 nan 0.000 0.226 18 P C 0.271 177.749 177.300 0.297 0.000 1.153 18 P CA 0.792 64.059 63.100 0.278 0.000 0.777 18 P CB 0.056 31.961 31.700 0.340 0.000 0.794 19 E N -0.076 120.257 120.200 0.221 0.000 2.427 19 E HA -0.024 4.340 4.350 0.024 0.000 0.196 19 E C 0.534 177.139 176.600 0.009 0.000 1.028 19 E CA 0.326 56.767 56.400 0.068 0.000 0.864 19 E CB -0.477 29.222 29.700 -0.002 0.000 0.813 19 E HN 0.483 nan 8.360 nan 0.000 0.514 20 E N 0.872 121.081 120.200 0.014 0.000 2.373 20 E HA 0.060 4.425 4.350 0.024 0.000 0.267 20 E C 0.420 176.988 176.600 -0.053 0.000 1.032 20 E CA 0.089 56.473 56.400 -0.028 0.000 0.889 20 E CB 0.782 30.459 29.700 -0.037 0.000 0.984 20 E HN 0.061 nan 8.360 nan 0.000 0.425 21 K N 1.622 121.986 120.400 -0.060 0.000 2.356 21 K HA 0.080 4.414 4.320 0.024 0.000 0.195 21 K C 0.154 176.707 176.600 -0.077 0.000 1.037 21 K CA 0.605 56.855 56.287 -0.061 0.000 1.014 21 K CB 0.438 32.908 32.500 -0.049 0.000 0.815 21 K HN 0.232 nan 8.250 nan 0.000 0.507 22 K N -0.035 120.305 120.400 -0.101 0.000 2.385 22 K HA 0.337 4.672 4.320 0.024 0.000 0.248 22 K C -0.604 175.871 176.600 -0.208 0.000 0.955 22 K CA -0.495 55.713 56.287 -0.132 0.000 0.816 22 K CB 2.427 34.869 32.500 -0.097 0.000 1.250 22 K HN -0.191 nan 8.250 nan 0.000 0.434 23 T N -0.452 113.906 114.554 -0.327 0.000 2.647 23 T HA 0.483 4.847 4.350 0.024 0.000 0.295 23 T C -1.509 172.839 174.700 -0.586 0.000 1.126 23 T CA -0.469 61.354 62.100 -0.463 0.000 1.040 23 T CB 1.611 70.124 68.868 -0.592 0.000 1.472 23 T HN 0.739 nan 8.240 nan 0.000 0.500 24 T N 0.195 114.374 114.554 -0.626 0.000 2.893 24 T HA 0.809 5.174 4.350 0.024 0.000 0.291 24 T C -1.298 172.976 174.700 -0.709 0.000 1.028 24 T CA -0.557 61.217 62.100 -0.543 0.000 0.995 24 T CB 1.009 69.735 68.868 -0.237 0.000 1.051 24 T HN 0.327 nan 8.240 nan 0.000 0.470 25 F N 0.460 120.209 119.950 -0.335 0.000 2.639 25 F HA 0.621 5.162 4.527 0.024 0.000 0.339 25 F C 0.099 175.598 175.800 -0.503 0.000 1.071 25 F CA -1.292 56.332 58.000 -0.626 0.000 0.994 25 F CB 0.644 38.856 39.000 -1.314 0.000 1.341 25 F HN 0.771 nan 8.300 nan 0.000 0.498 26 Y N -1.947 118.470 120.300 0.195 0.000 4.936 26 Y HA -0.256 4.308 4.550 0.024 0.000 0.260 26 Y C 1.152 177.076 175.900 0.039 0.000 0.928 26 Y CA 0.663 58.815 58.100 0.088 0.000 1.869 26 Y CB -2.760 35.745 38.460 0.075 0.000 1.344 26 Y HN 0.584 nan 8.280 nan 0.000 0.521 27 T N -3.340 111.278 114.554 0.107 0.000 3.228 27 T HA 0.529 4.893 4.350 0.024 0.000 0.278 27 T C 0.743 175.449 174.700 0.011 0.000 1.014 27 T CA 0.022 62.154 62.100 0.054 0.000 0.904 27 T CB -0.310 68.574 68.868 0.027 0.000 1.110 27 T HN 0.369 nan 8.240 nan 0.000 0.541 28 L N 0.715 121.944 121.223 0.009 0.000 2.640 28 L HA 0.454 4.808 4.340 0.024 0.000 0.230 28 L C 1.816 178.652 176.870 -0.057 0.000 1.123 28 L CA 0.202 55.031 54.840 -0.020 0.000 0.900 28 L CB -0.042 42.016 42.059 -0.001 0.000 1.146 28 L HN 0.581 nan 8.230 nan 0.000 0.484 29 G N 0.144 108.904 108.800 -0.066 0.000 2.147 29 G HA2 -0.164 3.810 3.960 0.024 0.000 0.244 29 G HA3 -0.164 3.810 3.960 0.024 0.000 0.244 29 G C 0.831 175.605 174.900 -0.210 0.000 1.005 29 G CA 0.245 45.257 45.100 -0.147 0.000 0.713 29 G HN 0.720 nan 8.290 nan 0.000 0.515 30 G N 0.161 108.912 108.800 -0.081 0.000 2.583 30 G HA2 -0.279 3.696 3.960 0.024 0.000 0.292 30 G HA3 -0.279 3.696 3.960 0.024 0.000 0.292 30 G C 1.321 176.218 174.900 -0.004 0.000 1.203 30 G CA 1.578 46.661 45.100 -0.028 0.000 0.987 30 G HN 1.747 nan 8.290 nan 0.000 0.554 31 W N 0.813 122.138 121.300 0.042 0.000 2.468 31 W HA 0.093 4.767 4.660 0.024 0.000 0.262 31 W C 1.708 178.242 176.519 0.025 0.000 1.241 31 W CA 1.194 58.566 57.345 0.044 0.000 1.232 31 W CB -0.590 28.917 29.460 0.077 0.000 1.124 31 W HN 0.506 nan 8.180 nan 0.000 0.597 32 K N 1.366 121.439 120.400 -0.544 0.000 2.439 32 K HA -0.162 4.172 4.320 0.024 0.000 0.197 32 K C 2.282 178.772 176.600 -0.184 0.000 1.041 32 K CA 1.486 57.426 56.287 -0.578 0.000 0.970 32 K CB -0.216 31.813 32.500 -0.785 0.000 0.773 32 K HN 0.380 nan 8.250 nan 0.000 0.479 33 Q N 0.257 119.997 119.800 -0.100 0.000 2.364 33 Q HA -0.026 4.329 4.340 0.024 0.000 0.207 33 Q C 0.531 176.527 176.000 -0.006 0.000 0.970 33 Q CA 0.729 56.505 55.803 -0.045 0.000 0.888 33 Q CB 0.178 28.902 28.738 -0.023 0.000 0.951 33 Q HN -0.053 nan 8.270 nan 0.000 0.469 34 S N -0.063 115.661 115.700 0.040 0.000 2.449 34 S HA 0.106 4.590 4.470 0.024 0.000 0.310 34 S C 0.488 175.103 174.600 0.026 0.000 1.096 34 S CA -0.697 57.521 58.200 0.031 0.000 1.095 34 S CB 1.741 64.971 63.200 0.049 0.000 1.007 34 S HN 0.450 nan 8.310 nan 0.000 0.474 35 E N 3.654 123.847 120.200 -0.012 0.000 2.058 35 E HA -0.230 4.134 4.350 0.024 0.000 0.194 35 E C 1.857 178.403 176.600 -0.090 0.000 0.997 35 E CA 1.205 57.590 56.400 -0.023 0.000 0.801 35 E CB -0.081 29.604 29.700 -0.025 0.000 0.746 35 E HN 0.643 nan 8.360 nan 0.000 0.450 36 R N 0.682 121.074 120.500 -0.180 0.000 2.073 36 R HA -0.050 4.305 4.340 0.024 0.000 0.229 36 R C 2.127 178.014 176.300 -0.688 0.000 1.120 36 R CA 1.447 57.279 56.100 -0.448 0.000 0.967 36 R CB -0.026 30.014 30.300 -0.433 0.000 0.862 36 R HN 0.007 nan 8.270 nan 0.000 0.436 37 K N -0.376 119.808 120.400 -0.360 0.000 2.147 37 K HA -0.040 4.294 4.320 0.024 0.000 0.205 37 K C 1.945 178.514 176.600 -0.053 0.000 1.049 37 K CA 1.785 57.954 56.287 -0.197 0.000 0.936 37 K CB -0.543 32.048 32.500 0.152 0.000 0.722 37 K HN 0.242 nan 8.250 nan 0.000 0.446 38 T N 1.368 115.989 114.554 0.111 0.000 2.821 38 T HA -0.139 4.226 4.350 0.024 0.000 0.267 38 T C 1.801 176.522 174.700 0.036 0.000 1.046 38 T CA 1.262 63.493 62.100 0.218 0.000 1.139 38 T CB -0.034 68.992 68.868 0.264 0.000 0.871 38 T HN 0.407 nan 8.240 nan 0.000 0.454 39 E N 0.045 120.221 120.200 -0.041 0.000 2.097 39 E HA -0.172 4.193 4.350 0.024 0.000 0.196 39 E C 1.731 178.367 176.600 0.060 0.000 1.000 39 E CA 1.194 57.592 56.400 -0.005 0.000 0.804 39 E CB -0.113 29.572 29.700 -0.025 0.000 0.740 39 E HN 0.397 nan 8.360 nan 0.000 0.454 40 F N 0.406 120.197 119.950 -0.265 0.000 2.146 40 F HA -0.123 4.419 4.527 0.024 0.000 0.298 40 F C 2.455 177.904 175.800 -0.584 0.000 1.096 40 F CA 0.486 58.152 58.000 -0.557 0.000 1.275 40 F CB -1.180 37.295 39.000 -0.874 0.000 1.008 40 F HN -0.044 nan 8.300 nan 0.000 0.480 41 V N 0.681 120.457 119.914 -0.231 0.000 2.287 41 V HA -0.345 3.789 4.120 0.024 0.000 0.248 41 V C 1.973 178.004 176.094 -0.105 0.000 1.053 41 V CA 2.288 64.458 62.300 -0.217 0.000 1.027 41 V CB -0.971 30.456 31.823 -0.660 0.000 0.646 41 V HN 0.354 nan 8.190 nan 0.000 0.447 42 N N 0.163 118.823 118.700 -0.066 0.000 2.084 42 N HA -0.135 4.619 4.740 0.024 0.000 0.190 42 N C 1.919 177.415 175.510 -0.023 0.000 1.030 42 N CA 1.264 54.306 53.050 -0.014 0.000 0.849 42 N CB -0.357 38.141 38.487 0.019 0.000 1.012 42 N HN 0.483 nan 8.380 nan 0.000 0.423 43 A N 0.790 123.584 122.820 -0.042 0.000 1.933 43 A HA -0.014 4.320 4.320 0.024 0.000 0.218 43 A C 2.348 179.892 177.584 -0.067 0.000 1.175 43 A CA 1.718 53.720 52.037 -0.057 0.000 0.628 43 A CB -1.217 17.732 19.000 -0.086 0.000 0.814 43 A HN 0.400 nan 8.150 nan 0.000 0.444 44 G N -0.205 108.552 108.800 -0.072 0.000 2.440 44 G HA2 -0.250 3.725 3.960 0.024 0.000 0.218 44 G HA3 -0.250 3.725 3.960 0.024 0.000 0.218 44 G C 1.677 176.581 174.900 0.007 0.000 1.154 44 G CA 1.152 46.253 45.100 0.001 0.000 0.767 44 G HN 0.586 nan 8.290 nan 0.000 0.552 45 K N 0.052 120.453 120.400 0.002 0.000 2.097 45 K HA -0.019 4.315 4.320 0.024 0.000 0.205 45 K C 2.335 178.934 176.600 -0.001 0.000 1.050 45 K CA 1.091 57.380 56.287 0.004 0.000 0.938 45 K CB -0.103 32.402 32.500 0.008 0.000 0.718 45 K HN 0.458 nan 8.250 nan 0.000 0.442 46 E N 0.905 121.101 120.200 -0.007 0.000 2.031 46 E HA -0.176 4.189 4.350 0.024 0.000 0.193 46 E C 1.968 178.560 176.600 -0.012 0.000 0.994 46 E CA 1.160 57.555 56.400 -0.008 0.000 0.800 46 E CB 0.114 29.808 29.700 -0.010 0.000 0.752 46 E HN -0.011 nan 8.360 nan 0.000 0.447 47 V N 1.444 121.345 119.914 -0.021 0.000 2.282 47 V HA -0.339 3.796 4.120 0.024 0.000 0.249 47 V C 2.494 178.578 176.094 -0.017 0.000 1.057 47 V CA 2.123 64.409 62.300 -0.025 0.000 1.032 47 V CB -0.885 30.914 31.823 -0.040 0.000 0.645 47 V HN 0.491 nan 8.190 nan 0.000 0.447 48 A N -0.444 122.369 122.820 -0.011 0.000 1.930 48 A HA -0.056 4.278 4.320 0.024 0.000 0.217 48 A C 2.397 179.977 177.584 -0.006 0.000 1.175 48 A CA 1.996 54.028 52.037 -0.008 0.000 0.627 48 A CB -0.718 18.279 19.000 -0.004 0.000 0.815 48 A HN 0.589 nan 8.150 nan 0.000 0.443 49 A N -0.179 122.638 122.820 -0.004 0.000 1.898 49 A HA -0.143 4.192 4.320 0.024 0.000 0.216 49 A C 2.133 179.715 177.584 -0.004 0.000 1.181 49 A CA 1.934 53.970 52.037 -0.002 0.000 0.620 49 A CB -0.435 18.566 19.000 0.000 0.000 0.819 49 A HN 0.546 nan 8.150 nan 0.000 0.442 50 K N 0.123 120.519 120.400 -0.006 0.000 2.057 50 K HA -0.171 4.163 4.320 0.024 0.000 0.207 50 K C 2.171 178.766 176.600 -0.007 0.000 1.049 50 K CA 1.621 57.904 56.287 -0.006 0.000 0.931 50 K CB -0.160 32.334 32.500 -0.009 0.000 0.714 50 K HN 0.600 nan 8.250 nan 0.000 0.440 51 R N -0.904 119.590 120.500 -0.009 0.000 2.300 51 R HA 0.101 4.455 4.340 0.024 0.000 0.199 51 R C 0.805 177.100 176.300 -0.008 0.000 0.920 51 R CA 0.828 56.922 56.100 -0.009 0.000 1.046 51 R CB 0.131 30.422 30.300 -0.013 0.000 0.984 51 R HN 0.249 nan 8.270 nan 0.000 0.493 52 G N 1.668 110.464 108.800 -0.007 0.000 2.176 52 G HA2 -0.233 3.741 3.960 0.024 0.000 0.252 52 G HA3 -0.233 3.741 3.960 0.024 0.000 0.252 52 G C -0.148 174.747 174.900 -0.007 0.000 1.024 52 G CA 0.602 45.698 45.100 -0.006 0.000 0.755 52 G HN 0.392 nan 8.290 nan 0.000 0.507 53 I N -0.245 120.320 120.570 -0.009 0.000 2.571 53 I HA 0.297 4.481 4.170 0.024 0.000 0.289 53 I C -2.379 173.731 176.117 -0.012 0.000 1.115 53 I CA -2.537 58.757 61.300 -0.011 0.000 1.045 53 I CB 2.501 40.494 38.000 -0.013 0.000 1.238 53 I HN -0.188 nan 8.210 nan 0.000 0.424 54 P HA -0.011 nan 4.420 nan 0.000 0.266 54 P C -0.628 176.661 177.300 -0.018 0.000 1.186 54 P CA 0.343 63.434 63.100 -0.015 0.000 0.767 54 P CB 0.882 32.570 31.700 -0.019 0.000 0.820 55 Q N 2.084 121.876 119.800 -0.013 0.000 2.920 55 Q HA 0.167 4.521 4.340 0.024 0.000 0.313 55 Q C -0.774 175.230 176.000 0.007 0.000 0.976 55 Q CA -0.490 55.309 55.803 -0.007 0.000 0.678 55 Q CB 0.197 28.933 28.738 -0.002 0.000 3.697 55 Q HN 0.285 nan 8.270 nan 0.000 0.280 56 Y N 3.049 123.292 120.300 -0.096 0.000 2.632 56 Y HA 0.169 4.733 4.550 0.024 0.000 0.329 56 Y C -0.757 175.078 175.900 -0.109 0.000 1.174 56 Y CA 0.736 58.771 58.100 -0.109 0.000 1.469 56 Y CB 0.279 38.658 38.460 -0.134 0.000 1.242 56 Y HN 0.383 nan 8.280 nan 0.000 0.540 57 N N 8.122 126.600 118.700 -0.370 0.000 2.478 57 N HA 0.290 5.044 4.740 0.024 0.000 0.291 57 N C -2.497 172.778 175.510 -0.391 0.000 1.090 57 N CA -2.085 50.820 53.050 -0.243 0.000 0.911 57 N CB 2.086 40.490 38.487 -0.138 0.000 1.546 57 N HN 0.335 nan 8.380 nan 0.000 0.500 58 P HA 0.089 nan 4.420 nan 0.000 0.237 58 P C -0.303 176.930 177.300 -0.112 0.000 1.178 58 P CA 0.690 63.600 63.100 -0.317 0.000 0.766 58 P CB 0.575 31.927 31.700 -0.580 0.000 0.876 59 D N -0.654 119.701 120.400 -0.075 0.000 2.349 59 D HA 0.094 4.749 4.640 0.024 0.000 0.214 59 D C 0.718 176.998 176.300 -0.033 0.000 1.063 59 D CA 0.046 54.042 54.000 -0.006 0.000 0.847 59 D CB 0.289 41.104 40.800 0.024 0.000 0.933 59 D HN 0.145 nan 8.370 nan 0.000 0.513 60 I N 0.864 121.385 120.570 -0.082 0.000 2.428 60 I HA 0.314 4.498 4.170 0.024 0.000 0.289 60 I C 1.600 177.679 176.117 -0.064 0.000 1.019 60 I CA 0.399 61.653 61.300 -0.076 0.000 1.351 60 I CB 0.419 38.349 38.000 -0.116 0.000 1.412 60 I HN 0.132 nan 8.210 nan 0.000 0.513 61 G N 5.413 114.189 108.800 -0.041 0.000 2.645 61 G HA2 -0.194 3.781 3.960 0.024 0.000 0.246 61 G HA3 -0.194 3.781 3.960 0.024 0.000 0.246 61 G C 0.023 174.915 174.900 -0.014 0.000 1.322 61 G CA -0.082 45.001 45.100 -0.029 0.000 0.898 61 G HN 0.913 nan 8.290 nan 0.000 0.573 62 T N -0.177 114.374 114.554 -0.005 0.000 2.899 62 T HA 0.673 5.038 4.350 0.024 0.000 0.284 62 T C -2.122 172.596 174.700 0.030 0.000 1.004 62 T CA -0.486 61.620 62.100 0.011 0.000 1.043 62 T CB 2.007 70.880 68.868 0.009 0.000 1.013 62 T HN 0.781 nan 8.240 nan 0.000 0.518 63 P HA 0.363 nan 4.420 nan 0.000 0.284 63 P C -0.139 177.226 177.300 0.108 0.000 1.432 63 P CA -0.571 62.588 63.100 0.099 0.000 0.929 63 P CB 0.324 32.084 31.700 0.100 0.000 1.158 64 L N 1.971 123.269 121.223 0.126 0.000 2.499 64 L HA 0.181 4.535 4.340 0.024 0.000 0.281 64 L C 1.577 178.525 176.870 0.130 0.000 1.234 64 L CA 1.087 55.997 54.840 0.117 0.000 0.839 64 L CB -0.380 41.769 42.059 0.150 0.000 1.104 64 L HN 0.770 nan 8.230 nan 0.000 0.500 65 G N 1.054 109.905 108.800 0.085 0.000 2.142 65 G HA2 -0.198 3.777 3.960 0.024 0.000 0.225 65 G HA3 -0.198 3.777 3.960 0.024 0.000 0.225 65 G C 0.656 175.594 174.900 0.063 0.000 1.015 65 G CA -0.140 45.005 45.100 0.076 0.000 0.716 65 G HN 0.620 nan 8.290 nan 0.000 0.508 66 Q N -0.712 119.122 119.800 0.057 0.000 2.378 66 Q HA 0.032 4.387 4.340 0.024 0.000 0.205 66 Q C 1.811 177.812 176.000 0.003 0.000 0.954 66 Q CA 1.614 57.467 55.803 0.084 0.000 0.901 66 Q CB 0.117 28.948 28.738 0.155 0.000 0.981 66 Q HN 0.969 nan 8.270 nan 0.000 0.483 67 R N -1.639 118.859 120.500 -0.003 0.000 2.893 67 R HA 0.599 4.953 4.340 0.024 0.000 0.245 67 R C -0.301 176.059 176.300 0.099 0.000 1.192 67 R CA -0.888 55.270 56.100 0.097 0.000 1.077 67 R CB 0.550 30.852 30.300 0.003 0.000 1.253 67 R HN -0.276 nan 8.270 nan 0.000 0.505 68 V N 2.142 122.148 119.914 0.154 0.000 2.540 68 V HA 0.037 4.172 4.120 0.024 0.000 0.297 68 V C 0.305 176.447 176.094 0.079 0.000 1.024 68 V CA 0.121 62.497 62.300 0.127 0.000 1.105 68 V CB 0.331 32.294 31.823 0.233 0.000 0.938 68 V HN 0.424 nan 8.190 nan 0.000 0.482 69 L N 7.093 128.337 121.223 0.036 0.000 2.325 69 L HA 0.354 4.708 4.340 0.024 0.000 0.284 69 L C 0.284 177.127 176.870 -0.046 0.000 1.089 69 L CA 0.161 55.011 54.840 0.018 0.000 0.836 69 L CB 0.415 42.498 42.059 0.040 0.000 1.184 69 L HN 0.567 nan 8.230 nan 0.000 0.444 70 M N 5.798 125.325 119.600 -0.121 0.000 2.250 70 M HA 0.339 4.833 4.480 0.024 0.000 0.344 70 M C -2.039 174.046 176.300 -0.359 0.000 1.150 70 M CA -1.650 53.461 55.300 -0.314 0.000 1.147 70 M CB 1.003 33.293 32.600 -0.517 0.000 1.498 70 M HN 0.281 nan 8.290 nan 0.000 0.461 71 P HA 0.151 nan 4.420 nan 0.000 0.274 71 P C -1.765 175.344 177.300 -0.318 0.000 1.237 71 P CA 0.038 63.048 63.100 -0.149 0.000 0.793 71 P CB 0.427 32.131 31.700 0.006 0.000 0.977 72 Y N -1.095 119.254 120.300 0.081 0.000 2.425 72 Y HA 0.344 4.908 4.550 0.024 0.000 0.344 72 Y C 0.881 176.720 175.900 -0.101 0.000 0.969 72 Y CA -0.664 57.445 58.100 0.016 0.000 1.052 72 Y CB 2.054 40.511 38.460 -0.005 0.000 1.215 72 Y HN 0.329 nan 8.280 nan 0.000 0.451 73 Q N 2.327 122.049 119.800 -0.130 0.000 2.267 73 Q HA 0.463 4.817 4.340 0.024 0.000 0.255 73 Q C -1.184 174.721 176.000 -0.157 0.000 0.923 73 Q CA -0.584 54.870 55.803 -0.581 0.000 0.925 73 Q CB 1.022 29.357 28.738 -0.673 0.000 1.195 73 Q HN 0.609 nan 8.270 nan 0.000 0.417 74 V N 3.953 123.807 119.914 -0.099 0.000 2.508 74 V HA 0.060 4.194 4.120 0.024 0.000 0.281 74 V C 0.122 176.234 176.094 0.029 0.000 1.041 74 V CA -0.170 62.172 62.300 0.069 0.000 1.016 74 V CB 1.130 33.030 31.823 0.129 0.000 0.984 74 V HN 0.832 nan 8.190 nan 0.000 0.478 75 S N 3.807 119.560 115.700 0.089 0.000 2.560 75 S HA 0.229 4.714 4.470 0.024 0.000 0.284 75 S C 1.241 175.871 174.600 0.050 0.000 1.327 75 S CA 0.545 58.784 58.200 0.065 0.000 1.055 75 S CB 0.579 63.839 63.200 0.099 0.000 0.868 75 S HN 1.490 nan 8.310 nan 0.000 0.506 76 T N -1.473 113.104 114.554 0.039 0.000 6.412 76 T HA -0.244 4.120 4.350 0.024 0.000 0.279 76 T C 0.174 174.880 174.700 0.010 0.000 2.177 76 T CA 1.539 63.657 62.100 0.030 0.000 3.599 76 T CB -2.677 66.210 68.868 0.031 0.000 1.259 76 T HN 1.089 nan 8.240 nan 0.000 1.146 77 T N -1.931 112.621 114.554 -0.003 0.000 2.927 77 T HA 0.662 5.026 4.350 0.024 0.000 0.286 77 T C -0.344 174.346 174.700 -0.017 0.000 1.040 77 T CA -0.252 61.844 62.100 -0.008 0.000 1.010 77 T CB 2.124 70.988 68.868 -0.007 0.000 1.177 77 T HN 0.048 nan 8.240 nan 0.000 0.546 78 D N 0.899 121.309 120.400 0.016 0.000 2.525 78 D HA 0.204 4.859 4.640 0.024 0.000 0.229 78 D C -0.282 176.079 176.300 0.102 0.000 1.202 78 D CA -0.047 53.998 54.000 0.074 0.000 0.828 78 D CB 0.433 41.299 40.800 0.111 0.000 1.008 78 D HN 0.503 nan 8.370 nan 0.000 0.493 79 T N 0.749 115.301 114.554 -0.004 0.000 2.771 79 T HA 0.279 4.643 4.350 0.024 0.000 0.291 79 T C -0.451 174.206 174.700 -0.072 0.000 0.954 79 T CA -0.136 61.990 62.100 0.043 0.000 1.045 79 T CB 0.682 69.578 68.868 0.047 0.000 0.917 79 T HN -0.058 nan 8.240 nan 0.000 0.484 80 Y N 2.328 122.666 120.300 0.064 0.000 2.341 80 Y HA 0.568 5.133 4.550 0.024 0.000 0.338 80 Y C 0.126 176.066 175.900 0.066 0.000 0.965 80 Y CA -0.931 57.207 58.100 0.062 0.000 1.108 80 Y CB 1.535 40.007 38.460 0.020 0.000 1.180 80 Y HN 0.480 nan 8.280 nan 0.000 0.458 81 V N -0.644 119.392 119.914 0.203 0.000 3.007 81 V HA 0.573 4.707 4.120 0.024 0.000 0.311 81 V C -0.469 175.738 176.094 0.188 0.000 1.120 81 V CA -1.463 60.939 62.300 0.170 0.000 0.980 81 V CB 1.905 33.821 31.823 0.155 0.000 1.033 81 V HN 0.703 nan 8.190 nan 0.000 0.429 82 E N 1.697 121.979 120.200 0.136 0.000 2.418 82 E HA 0.248 4.612 4.350 0.024 0.000 0.261 82 E C 1.320 178.076 176.600 0.259 0.000 1.070 82 E CA 0.407 56.896 56.400 0.149 0.000 0.931 82 E CB 1.137 30.873 29.700 0.061 0.000 0.954 82 E HN 1.033 nan 8.360 nan 0.000 0.439 83 G N 2.449 111.481 108.800 0.387 0.000 2.470 83 G HA2 -0.258 3.717 3.960 0.024 0.000 0.220 83 G HA3 -0.258 3.717 3.960 0.024 0.000 0.220 83 G C 0.694 175.727 174.900 0.221 0.000 1.121 83 G CA 0.767 46.072 45.100 0.343 0.000 0.766 83 G HN 0.502 nan 8.290 nan 0.000 0.553 84 D N 0.978 121.506 120.400 0.214 0.000 2.218 84 D HA -0.041 4.613 4.640 0.024 0.000 0.204 84 D C 1.439 177.873 176.300 0.223 0.000 0.976 84 D CA 0.946 55.094 54.000 0.247 0.000 0.853 84 D CB -0.026 40.925 40.800 0.252 0.000 0.939 84 D HN 0.170 nan 8.370 nan 0.000 0.481 85 D N -0.299 120.205 120.400 0.174 0.000 2.363 85 D HA 0.009 4.663 4.640 0.024 0.000 0.220 85 D C 1.384 177.768 176.300 0.140 0.000 0.994 85 D CA 0.375 54.465 54.000 0.149 0.000 0.890 85 D CB 0.106 40.984 40.800 0.129 0.000 0.906 85 D HN 0.297 nan 8.370 nan 0.000 0.530 86 L N -0.343 120.966 121.223 0.144 0.000 2.640 86 L HA 0.087 4.441 4.340 0.024 0.000 0.230 86 L C 0.890 177.819 176.870 0.098 0.000 1.123 86 L CA -0.257 54.649 54.840 0.110 0.000 0.900 86 L CB 0.100 42.224 42.059 0.109 0.000 1.146 86 L HN 0.076 nan 8.230 nan 0.000 0.484 87 H N 0.908 120.008 119.070 0.051 0.000 2.886 87 H HA -0.075 4.495 4.556 0.024 0.000 0.329 87 H C 0.972 176.289 175.328 -0.019 0.000 1.044 87 H CA 0.005 56.067 56.048 0.023 0.000 1.456 87 H CB 1.085 30.833 29.762 -0.024 0.000 1.464 87 H HN 0.243 nan 8.280 nan 0.000 0.573 88 F N 4.012 123.957 119.950 -0.008 0.000 2.250 88 F HA -0.139 4.402 4.527 0.024 0.000 0.301 88 F C 1.590 177.495 175.800 0.174 0.000 1.077 88 F CA 0.791 58.821 58.000 0.049 0.000 1.348 88 F CB -0.956 38.030 39.000 -0.023 0.000 1.040 88 F HN 0.243 nan 8.300 nan 0.000 0.509 89 V N 1.474 121.046 119.914 -0.571 0.000 2.490 89 V HA -0.257 3.877 4.120 0.024 0.000 0.250 89 V C 1.478 177.461 176.094 -0.185 0.000 1.061 89 V CA 2.062 64.054 62.300 -0.513 0.000 1.064 89 V CB -0.835 30.587 31.823 -0.668 0.000 0.670 89 V HN 0.427 nan 8.190 nan 0.000 0.461 90 N N 0.438 119.085 118.700 -0.088 0.000 2.270 90 N HA 0.058 4.812 4.740 0.024 0.000 0.198 90 N C 0.219 175.755 175.510 0.044 0.000 1.117 90 N CA 0.179 53.220 53.050 -0.015 0.000 0.845 90 N CB -0.040 38.470 38.487 0.038 0.000 0.980 90 N HN 0.379 nan 8.380 nan 0.000 0.486 91 N N 0.427 119.156 118.700 0.049 0.000 2.540 91 N HA 0.272 5.026 4.740 0.024 0.000 0.275 91 N C 0.013 175.549 175.510 0.043 0.000 1.053 91 N CA -0.202 52.879 53.050 0.052 0.000 0.876 91 N CB 1.560 40.065 38.487 0.031 0.000 1.284 91 N HN -0.055 nan 8.380 nan 0.000 0.518 92 A N 2.863 125.720 122.820 0.062 0.000 2.067 92 A HA 0.130 4.465 4.320 0.024 0.000 0.217 92 A C 1.940 179.443 177.584 -0.136 0.000 1.156 92 A CA 1.386 53.474 52.037 0.085 0.000 0.683 92 A CB -0.189 18.949 19.000 0.230 0.000 0.808 92 A HN 0.674 nan 8.150 nan 0.000 0.455 93 A N -0.109 122.444 122.820 -0.445 0.000 1.898 93 A HA -0.105 4.230 4.320 0.024 0.000 0.216 93 A C 2.204 179.645 177.584 -0.239 0.000 1.181 93 A CA 1.711 53.151 52.037 -0.996 0.000 0.620 93 A CB -0.503 18.096 19.000 -0.669 0.000 0.819 93 A HN 0.522 nan 8.150 nan 0.000 0.442 94 M N -1.028 118.509 119.600 -0.104 0.000 2.099 94 M HA -0.219 4.275 4.480 0.024 0.000 0.262 94 M C 2.467 178.774 176.300 0.012 0.000 1.067 94 M CA 1.736 56.978 55.300 -0.097 0.000 1.124 94 M CB -0.513 31.989 32.600 -0.163 0.000 1.353 94 M HN 0.474 nan 8.290 nan 0.000 0.410 95 Q N -0.089 119.771 119.800 0.100 0.000 2.061 95 Q HA -0.281 4.073 4.340 0.024 0.000 0.204 95 Q C 2.108 178.199 176.000 0.152 0.000 0.984 95 Q CA 1.749 57.669 55.803 0.196 0.000 0.846 95 Q CB -0.254 28.613 28.738 0.215 0.000 0.902 95 Q HN 0.403 nan 8.270 nan 0.000 0.421 96 Q N 0.521 120.381 119.800 0.100 0.000 2.119 96 Q HA -0.122 4.232 4.340 0.024 0.000 0.201 96 Q C 1.873 177.926 176.000 0.089 0.000 0.972 96 Q CA 1.352 57.256 55.803 0.169 0.000 0.847 96 Q CB -0.150 28.815 28.738 0.378 0.000 0.903 96 Q HN 0.368 nan 8.270 nan 0.000 0.433 97 M N -1.105 118.398 119.600 -0.162 0.000 2.082 97 M HA -0.222 4.272 4.480 0.024 0.000 0.258 97 M C 1.891 178.190 176.300 -0.002 0.000 1.069 97 M CA 1.986 56.959 55.300 -0.544 0.000 1.102 97 M CB -0.504 31.434 32.600 -1.104 0.000 1.336 97 M HN 0.585 nan 8.290 nan 0.000 0.404 98 W N 1.244 122.487 121.300 -0.095 0.000 2.379 98 W HA -0.230 4.444 4.660 0.024 0.000 0.307 98 W C 1.401 177.959 176.519 0.065 0.000 1.200 98 W CA 1.290 58.629 57.345 -0.010 0.000 1.297 98 W CB -0.333 29.125 29.460 -0.004 0.000 1.140 98 W HN 0.275 nan 8.180 nan 0.000 0.507 99 D N 0.811 121.095 120.400 -0.194 0.000 2.149 99 D HA -0.200 4.455 4.640 0.024 0.000 0.198 99 D C 1.465 177.648 176.300 -0.195 0.000 0.990 99 D CA 1.717 55.544 54.000 -0.290 0.000 0.839 99 D CB -0.685 40.073 40.800 -0.069 0.000 0.948 99 D HN 0.152 nan 8.370 nan 0.000 0.460 100 D N -0.197 120.221 120.400 0.030 0.000 2.219 100 D HA -0.029 4.626 4.640 0.024 0.000 0.205 100 D C 2.185 178.580 176.300 0.157 0.000 0.970 100 D CA 0.277 54.383 54.000 0.176 0.000 0.851 100 D CB -0.023 41.084 40.800 0.512 0.000 0.943 100 D HN 0.292 nan 8.370 nan 0.000 0.488 101 I N -0.041 120.562 120.570 0.056 0.000 2.277 101 I HA -0.113 4.071 4.170 0.024 0.000 0.243 101 I C 2.490 178.489 176.117 -0.198 0.000 1.094 101 I CA 0.442 61.760 61.300 0.031 0.000 1.393 101 I CB -0.068 37.950 38.000 0.030 0.000 1.078 101 I HN -0.135 nan 8.210 nan 0.000 0.417 102 R N 1.849 121.918 120.500 -0.717 0.000 2.105 102 R HA -0.175 4.179 4.340 0.024 0.000 0.239 102 R C 2.247 178.367 176.300 -0.301 0.000 1.135 102 R CA 1.494 57.164 56.100 -0.717 0.000 0.967 102 R CB -0.145 29.438 30.300 -1.195 0.000 0.861 102 R HN 0.369 nan 8.270 nan 0.000 0.442 103 R N -0.447 119.897 120.500 -0.260 0.000 2.320 103 R HA 0.101 4.455 4.340 0.024 0.000 0.211 103 R C -0.569 175.642 176.300 -0.150 0.000 0.931 103 R CA 0.312 56.296 56.100 -0.193 0.000 1.071 103 R CB 0.301 30.473 30.300 -0.213 0.000 1.025 103 R HN -0.079 nan 8.270 nan 0.000 0.495 104 T N 1.897 116.391 114.554 -0.099 0.000 2.795 104 T HA 0.440 4.805 4.350 0.024 0.000 0.282 104 T C -0.460 174.218 174.700 -0.036 0.000 0.980 104 T CA -0.532 61.505 62.100 -0.105 0.000 1.012 104 T CB 1.806 70.609 68.868 -0.109 0.000 0.936 104 T HN 0.204 nan 8.240 nan 0.000 0.457 105 V N 1.222 121.101 119.914 -0.059 0.000 3.007 105 V HA 0.731 4.865 4.120 0.024 0.000 0.311 105 V C -0.845 175.221 176.094 -0.047 0.000 1.120 105 V CA -1.267 61.009 62.300 -0.040 0.000 0.980 105 V CB 1.771 33.558 31.823 -0.060 0.000 1.033 105 V HN 0.814 nan 8.190 nan 0.000 0.429 106 I N 2.406 122.956 120.570 -0.033 0.000 2.377 106 I HA 0.665 4.849 4.170 0.024 0.000 0.293 106 I C -0.849 175.311 176.117 0.072 0.000 0.987 106 I CA -0.833 60.482 61.300 0.024 0.000 1.185 106 I CB 1.917 39.917 38.000 0.001 0.000 1.341 106 I HN 0.463 nan 8.210 nan 0.000 0.455 107 V N 5.153 125.131 119.914 0.107 0.000 2.524 107 V HA 0.446 4.580 4.120 0.024 0.000 0.297 107 V C 0.570 176.624 176.094 -0.066 0.000 1.035 107 V CA -0.750 61.568 62.300 0.030 0.000 0.867 107 V CB 1.499 33.305 31.823 -0.029 0.000 1.004 107 V HN 0.900 nan 8.190 nan 0.000 0.426 108 G N 2.987 111.623 108.800 -0.274 0.000 2.554 108 G HA2 0.390 4.364 3.960 0.024 0.000 0.238 108 G HA3 0.390 4.364 3.960 0.024 0.000 0.238 108 G C 0.380 174.854 174.900 -0.710 0.000 1.259 108 G CA -0.273 44.222 45.100 -1.007 0.000 0.843 108 G HN 0.740 nan 8.290 nan 0.000 0.582 109 L N 1.412 122.136 121.223 -0.831 0.000 2.769 109 L HA 0.131 4.486 4.340 0.024 0.000 0.240 109 L C 1.715 178.074 176.870 -0.852 0.000 1.163 109 L CA -0.264 54.080 54.840 -0.827 0.000 0.962 109 L CB -0.005 41.497 42.059 -0.928 0.000 1.258 109 L HN 0.494 nan 8.230 nan 0.000 0.513 110 N N -0.467 117.794 118.700 -0.731 0.000 2.173 110 N HA -0.119 4.635 4.740 0.024 0.000 0.184 110 N C 1.597 176.960 175.510 -0.246 0.000 1.025 110 N CA 1.146 53.917 53.050 -0.464 0.000 0.852 110 N CB -0.116 38.083 38.487 -0.481 0.000 0.998 110 N HN 0.335 nan 8.380 nan 0.000 0.427 111 H N 1.535 120.418 119.070 -0.312 0.000 2.353 111 H HA 0.092 4.663 4.556 0.024 0.000 0.300 111 H C 2.102 177.275 175.328 -0.257 0.000 1.090 111 H CA 1.133 57.039 56.048 -0.236 0.000 1.327 111 H CB -0.669 28.974 29.762 -0.198 0.000 1.383 111 H HN 0.236 nan 8.280 nan 0.000 0.508 112 A N 0.685 123.407 122.820 -0.165 0.000 1.883 112 A HA -0.223 4.111 4.320 0.024 0.000 0.217 112 A C 2.055 179.606 177.584 -0.055 0.000 1.186 112 A CA 1.810 53.778 52.037 -0.115 0.000 0.624 112 A CB -0.992 17.969 19.000 -0.064 0.000 0.822 112 A HN 0.618 nan 8.150 nan 0.000 0.444 113 H N -0.988 117.981 119.070 -0.169 0.000 2.421 113 H HA 0.017 4.587 4.556 0.024 0.000 0.298 113 H C 2.441 177.677 175.328 -0.153 0.000 1.087 113 H CA 0.567 56.502 56.048 -0.190 0.000 1.330 113 H CB 0.047 29.700 29.762 -0.181 0.000 1.388 113 H HN 0.582 nan 8.280 nan 0.000 0.526 114 A N 0.573 123.382 122.820 -0.019 0.000 1.930 114 A HA -0.098 4.237 4.320 0.024 0.000 0.217 114 A C 2.545 180.062 177.584 -0.111 0.000 1.175 114 A CA 1.100 53.102 52.037 -0.058 0.000 0.627 114 A CB -0.578 18.387 19.000 -0.058 0.000 0.815 114 A HN 0.196 nan 8.150 nan 0.000 0.443 115 V N 0.278 120.076 119.914 -0.193 0.000 2.358 115 V HA -0.257 3.877 4.120 0.024 0.000 0.246 115 V C 2.399 178.405 176.094 -0.146 0.000 1.047 115 V CA 1.921 64.055 62.300 -0.276 0.000 1.035 115 V CB -0.689 30.728 31.823 -0.677 0.000 0.658 115 V HN 0.568 nan 8.190 nan 0.000 0.452 116 I N -0.173 120.354 120.570 -0.072 0.000 2.127 116 I HA -0.258 3.926 4.170 0.024 0.000 0.241 116 I C 2.603 178.691 176.117 -0.048 0.000 1.075 116 I CA 1.819 63.095 61.300 -0.039 0.000 1.334 116 I CB -0.380 37.507 38.000 -0.190 0.000 1.040 116 I HN 0.378 nan 8.210 nan 0.000 0.405 117 E N 0.521 120.685 120.200 -0.060 0.000 2.107 117 E HA -0.191 4.173 4.350 0.024 0.000 0.191 117 E C 2.137 178.714 176.600 -0.039 0.000 0.982 117 E CA 1.062 57.437 56.400 -0.043 0.000 0.809 117 E CB 0.104 29.777 29.700 -0.044 0.000 0.756 117 E HN 0.381 nan 8.360 nan 0.000 0.459 118 K N 0.442 120.811 120.400 -0.053 0.000 2.078 118 K HA 0.060 4.394 4.320 0.024 0.000 0.203 118 K C 2.116 178.688 176.600 -0.047 0.000 1.043 118 K CA 0.773 57.029 56.287 -0.051 0.000 0.960 118 K CB 0.023 32.484 32.500 -0.066 0.000 0.761 118 K HN -0.100 nan 8.250 nan 0.000 0.448 119 R N 0.223 120.687 120.500 -0.060 0.000 2.075 119 R HA 0.124 4.478 4.340 0.024 0.000 0.226 119 R C 2.090 178.379 176.300 -0.017 0.000 1.114 119 R CA 0.961 57.032 56.100 -0.047 0.000 0.972 119 R CB -0.166 30.091 30.300 -0.072 0.000 0.869 119 R HN 0.098 nan 8.270 nan 0.000 0.437 120 L N -0.706 120.516 121.223 -0.001 0.000 2.375 120 L HA 0.213 4.568 4.340 0.024 0.000 0.215 120 L C 1.049 177.930 176.870 0.018 0.000 1.108 120 L CA 0.408 55.264 54.840 0.027 0.000 0.830 120 L CB -0.038 42.061 42.059 0.065 0.000 0.959 120 L HN 0.408 nan 8.230 nan 0.000 0.457 121 G N 1.495 110.297 108.800 0.003 0.000 2.246 121 G HA2 -0.275 3.699 3.960 0.024 0.000 0.273 121 G HA3 -0.275 3.699 3.960 0.024 0.000 0.273 121 G C -0.006 174.902 174.900 0.014 0.000 1.055 121 G CA 0.280 45.382 45.100 0.003 0.000 0.851 121 G HN 0.388 nan 8.290 nan 0.000 0.500 122 K N -0.568 119.843 120.400 0.020 0.000 2.281 122 K HA 0.586 4.920 4.320 0.024 0.000 0.242 122 K C -0.007 176.611 176.600 0.029 0.000 0.971 122 K CA -0.906 55.407 56.287 0.043 0.000 0.834 122 K CB 2.064 34.621 32.500 0.095 0.000 1.181 122 K HN 0.245 nan 8.250 nan 0.000 0.435 123 E N 1.253 121.483 120.200 0.049 0.000 2.313 123 E HA 0.259 4.623 4.350 0.024 0.000 0.272 123 E C -1.236 175.397 176.600 0.055 0.000 1.038 123 E CA -0.680 55.737 56.400 0.029 0.000 0.863 123 E CB 1.209 30.923 29.700 0.023 0.000 1.060 123 E HN 0.184 nan 8.360 nan 0.000 0.402 124 V N 3.715 123.610 119.914 -0.031 0.000 2.448 124 V HA 0.426 4.560 4.120 0.024 0.000 0.295 124 V C 0.097 176.138 176.094 -0.088 0.000 1.025 124 V CA -0.459 61.788 62.300 -0.089 0.000 0.859 124 V CB 1.388 32.980 31.823 -0.385 0.000 0.988 124 V HN 0.920 nan 8.190 nan 0.000 0.431 125 T N 2.074 116.601 114.554 -0.044 0.000 2.838 125 T HA 0.514 4.878 4.350 0.024 0.000 0.292 125 T C -2.466 172.227 174.700 -0.011 0.000 1.113 125 T CA -1.962 60.121 62.100 -0.029 0.000 1.008 125 T CB 2.213 71.079 68.868 -0.004 0.000 1.259 125 T HN 0.244 nan 8.240 nan 0.000 0.520 126 P HA -0.089 nan 4.420 nan 0.000 0.216 126 P C 1.003 178.337 177.300 0.056 0.000 1.150 126 P CA 1.332 64.456 63.100 0.040 0.000 0.843 126 P CB 0.048 31.774 31.700 0.042 0.000 0.787 127 E N -1.337 118.886 120.200 0.039 0.000 2.107 127 E HA -0.123 4.241 4.350 0.024 0.000 0.191 127 E C 2.030 178.658 176.600 0.047 0.000 0.982 127 E CA 1.789 58.215 56.400 0.042 0.000 0.809 127 E CB -1.213 28.497 29.700 0.017 0.000 0.756 127 E HN 0.374 nan 8.360 nan 0.000 0.459 128 T N -0.812 113.760 114.554 0.030 0.000 2.904 128 T HA -0.055 4.310 4.350 0.024 0.000 0.267 128 T C 1.974 176.722 174.700 0.080 0.000 1.059 128 T CA 0.686 62.787 62.100 0.001 0.000 1.137 128 T CB -0.340 68.538 68.868 0.017 0.000 0.879 128 T HN 0.051 nan 8.240 nan 0.000 0.467 129 I N 1.545 122.187 120.570 0.120 0.000 2.252 129 I HA -0.140 4.045 4.170 0.024 0.000 0.245 129 I C 2.935 179.149 176.117 0.161 0.000 1.102 129 I CA 1.398 62.809 61.300 0.185 0.000 1.385 129 I CB -0.799 37.285 38.000 0.140 0.000 1.064 129 I HN 0.260 nan 8.210 nan 0.000 0.414 130 T N -0.966 113.662 114.554 0.122 0.000 2.746 130 T HA -0.262 4.103 4.350 0.024 0.000 0.267 130 T C 1.888 176.622 174.700 0.058 0.000 1.039 130 T CA 1.803 63.973 62.100 0.116 0.000 1.142 130 T CB -0.394 68.579 68.868 0.175 0.000 0.866 130 T HN 0.414 nan 8.240 nan 0.000 0.444 131 H N 0.034 119.091 119.070 -0.022 0.000 2.321 131 H HA -0.102 4.469 4.556 0.024 0.000 0.300 131 H C 2.002 177.262 175.328 -0.113 0.000 1.087 131 H CA 1.768 57.773 56.048 -0.072 0.000 1.319 131 H CB -0.632 29.065 29.762 -0.108 0.000 1.379 131 H HN 0.476 nan 8.280 nan 0.000 0.501 132 Y N 0.499 120.629 120.300 -0.284 0.000 2.165 132 Y HA -0.208 4.356 4.550 0.024 0.000 0.286 132 Y C 2.144 177.867 175.900 -0.296 0.000 1.155 132 Y CA 1.919 59.858 58.100 -0.269 0.000 1.164 132 Y CB -0.482 37.955 38.460 -0.038 0.000 0.978 132 Y HN 0.250 nan 8.280 nan 0.000 0.513 133 L N -0.047 120.879 121.223 -0.495 0.000 2.093 133 L HA -0.154 4.200 4.340 0.024 0.000 0.208 133 L C 2.512 178.811 176.870 -0.952 0.000 1.085 133 L CA 1.215 55.541 54.840 -0.857 0.000 0.755 133 L CB -0.527 40.889 42.059 -1.073 0.000 0.904 133 L HN 0.233 nan 8.230 nan 0.000 0.435 134 E N -0.185 119.636 120.200 -0.632 0.000 2.077 134 E HA -0.183 4.181 4.350 0.024 0.000 0.193 134 E C 2.142 178.590 176.600 -0.254 0.000 0.989 134 E CA 1.896 58.151 56.400 -0.240 0.000 0.800 134 E CB -0.273 29.403 29.700 -0.039 0.000 0.746 134 E HN 0.480 nan 8.360 nan 0.000 0.452 135 T N 1.249 115.567 114.554 -0.394 0.000 2.708 135 T HA -0.123 4.241 4.350 0.024 0.000 0.266 135 T C 2.024 176.556 174.700 -0.281 0.000 1.037 135 T CA 1.176 63.078 62.100 -0.331 0.000 1.146 135 T CB -0.368 68.242 68.868 -0.430 0.000 0.865 135 T HN 0.009 nan 8.240 nan 0.000 0.435 136 V N 2.208 121.824 119.914 -0.498 0.000 2.809 136 V HA -0.065 4.070 4.120 0.024 0.000 0.256 136 V C 1.980 177.961 176.094 -0.190 0.000 1.080 136 V CA 1.327 63.393 62.300 -0.389 0.000 1.102 136 V CB -0.552 30.888 31.823 -0.639 0.000 0.705 136 V HN 0.455 nan 8.190 nan 0.000 0.475 137 N N -0.654 117.955 118.700 -0.152 0.000 2.457 137 N HA -0.127 4.628 4.740 0.024 0.000 0.180 137 N C 1.614 177.170 175.510 0.077 0.000 1.050 137 N CA 1.253 54.316 53.050 0.020 0.000 0.906 137 N CB -0.056 38.512 38.487 0.134 0.000 0.968 137 N HN 0.749 nan 8.380 nan 0.000 0.445 138 H N 0.729 119.774 119.070 -0.042 0.000 2.355 138 H HA 0.187 4.757 4.556 0.024 0.000 0.303 138 H C 1.916 177.234 175.328 -0.017 0.000 1.061 138 H CA 1.679 57.716 56.048 -0.019 0.000 1.368 138 H CB 0.022 29.758 29.762 -0.044 0.000 1.412 138 H HN 0.107 nan 8.280 nan 0.000 0.523 139 A N 0.471 123.245 122.820 -0.076 0.000 1.897 139 A HA -0.077 4.257 4.320 0.024 0.000 0.215 139 A C 2.364 179.903 177.584 -0.075 0.000 1.181 139 A CA 1.556 53.520 52.037 -0.121 0.000 0.620 139 A CB -0.669 18.293 19.000 -0.064 0.000 0.821 139 A HN 0.529 nan 8.150 nan 0.000 0.443 140 M N 0.329 119.926 119.600 -0.005 0.000 2.108 140 M HA -0.036 4.458 4.480 0.024 0.000 0.261 140 M C -1.297 175.171 176.300 0.279 0.000 1.066 140 M CA 1.556 56.929 55.300 0.122 0.000 1.107 140 M CB -1.060 31.601 32.600 0.102 0.000 1.356 140 M HN 0.143 nan 8.290 nan 0.000 0.406 141 P HA 0.193 nan 4.420 nan 0.000 0.237 141 P C 0.109 177.586 177.300 0.295 0.000 1.178 141 P CA 1.406 64.633 63.100 0.213 0.000 0.766 141 P CB 0.010 31.770 31.700 0.099 0.000 0.876 142 G N -1.765 107.135 108.800 0.167 0.000 2.338 142 G HA2 0.163 4.137 3.960 0.024 0.000 0.115 142 G HA3 0.163 4.137 3.960 0.024 0.000 0.115 142 G C -0.131 174.732 174.900 -0.062 0.000 1.053 142 G CA -0.343 44.799 45.100 0.070 0.000 0.733 142 G HN 0.521 nan 8.290 nan 0.000 0.482 143 A N -0.657 122.050 122.820 -0.188 0.000 2.423 143 A HA 1.082 5.416 4.320 0.024 0.000 0.304 143 A C 0.349 177.828 177.584 -0.176 0.000 1.104 143 A CA 0.218 52.089 52.037 -0.277 0.000 0.757 143 A CB 1.598 20.203 19.000 -0.658 0.000 1.313 143 A HN 2.077 nan 8.150 nan 0.000 0.423 144 A N -0.023 122.805 122.820 0.013 0.000 2.304 144 A HA 0.594 4.929 4.320 0.024 0.000 0.301 144 A C 0.722 178.404 177.584 0.163 0.000 1.132 144 A CA 0.226 52.301 52.037 0.064 0.000 0.819 144 A CB 0.575 19.598 19.000 0.038 0.000 1.094 144 A HN 1.973 nan 8.150 nan 0.000 0.492 145 V N -0.351 119.607 119.914 0.074 0.000 3.485 145 V HA 0.213 4.348 4.120 0.024 0.000 0.280 145 V C 0.731 176.827 176.094 0.003 0.000 1.495 145 V CA 0.776 63.099 62.300 0.038 0.000 1.018 145 V CB -0.353 31.483 31.823 0.022 0.000 0.818 145 V HN 0.489 nan 8.190 nan 0.000 0.436 146 V N -0.532 119.384 119.914 0.003 0.000 3.029 146 V HA 0.255 4.389 4.120 0.024 0.000 0.230 146 V C 0.927 177.024 176.094 0.004 0.000 1.254 146 V CA 0.484 62.783 62.300 -0.001 0.000 1.276 146 V CB 0.513 32.334 31.823 -0.004 0.000 1.080 146 V HN 0.452 nan 8.190 nan 0.000 0.495 147 Q N 0.916 120.720 119.800 0.007 0.000 2.306 147 Q HA 0.319 4.674 4.340 0.024 0.000 0.241 147 Q C -0.356 175.658 176.000 0.024 0.000 0.948 147 Q CA -0.193 55.619 55.803 0.015 0.000 0.886 147 Q CB 1.450 30.198 28.738 0.017 0.000 1.227 147 Q HN 0.346 nan 8.270 nan 0.000 0.457 148 E N 1.195 121.416 120.200 0.036 0.000 2.373 148 E HA -0.052 4.313 4.350 0.024 0.000 0.263 148 E C -0.540 176.128 176.600 0.112 0.000 1.073 148 E CA 0.151 56.584 56.400 0.055 0.000 0.894 148 E CB 0.358 30.093 29.700 0.057 0.000 1.008 148 E HN 0.639 nan 8.360 nan 0.000 0.420 149 H N 2.615 121.685 119.070 0.000 0.000 2.903 149 H HA -0.137 4.433 4.556 0.024 0.000 0.285 149 H C -0.817 174.511 175.328 -0.000 0.000 1.231 149 H CA 0.694 56.742 56.048 0.000 0.000 1.135 149 H CB -0.749 29.013 29.762 -0.000 0.000 1.328 149 H HN 0.391 nan 8.280 nan 0.000 0.388 150 M N 0.865 120.475 119.600 0.016 0.000 2.250 150 M HA 0.310 4.804 4.480 0.024 0.000 0.344 150 M C 0.944 177.227 176.300 -0.029 0.000 1.150 150 M CA -0.426 54.882 55.300 0.013 0.000 1.147 150 M CB 1.359 33.961 32.600 0.004 0.000 1.498 150 M HN 0.148 nan 8.290 nan 0.000 0.461 151 V N 0.384 120.296 119.914 -0.003 0.000 2.581 151 V HA 0.728 4.863 4.120 0.024 0.000 0.303 151 V C -0.483 175.608 176.094 -0.004 0.000 1.041 151 V CA -0.610 61.684 62.300 -0.010 0.000 0.907 151 V CB 1.894 33.726 31.823 0.015 0.000 0.994 151 V HN 0.910 nan 8.190 nan 0.000 0.442 152 E N 1.628 121.825 120.200 -0.006 0.000 2.410 152 E HA 0.558 4.923 4.350 0.024 0.000 0.269 152 E C -0.599 176.016 176.600 0.025 0.000 0.937 152 E CA -0.841 55.556 56.400 -0.005 0.000 0.793 152 E CB 2.223 31.907 29.700 -0.026 0.000 1.314 152 E HN 0.974 nan 8.360 nan 0.000 0.447 153 T N -1.232 113.352 114.554 0.051 0.000 2.898 153 T HA 0.041 4.405 4.350 0.024 0.000 0.301 153 T C 0.159 174.917 174.700 0.097 0.000 1.049 153 T CA -0.608 61.553 62.100 0.101 0.000 1.095 153 T CB 0.652 69.611 68.868 0.152 0.000 0.976 153 T HN 0.391 nan 8.240 nan 0.000 0.539 154 H N 3.412 122.504 119.070 0.037 0.000 2.955 154 H HA 0.210 4.780 4.556 0.024 0.000 0.290 154 H C -1.948 173.397 175.328 0.029 0.000 1.047 154 H CA -2.196 53.869 56.048 0.028 0.000 1.484 154 H CB 1.101 30.879 29.762 0.027 0.000 1.501 154 H HN 0.389 nan 8.280 nan 0.000 0.521 155 P HA -0.138 nan 4.420 nan 0.000 0.217 155 P C 0.956 178.387 177.300 0.217 0.000 1.148 155 P CA 2.069 65.270 63.100 0.169 0.000 0.828 155 P CB 0.177 31.931 31.700 0.091 0.000 0.783 156 A N -1.268 121.773 122.820 0.368 0.000 2.119 156 A HA -0.029 4.305 4.320 0.024 0.000 0.216 156 A C 2.014 179.603 177.584 0.007 0.000 1.152 156 A CA 0.784 52.895 52.037 0.123 0.000 0.708 156 A CB -1.304 17.731 19.000 0.058 0.000 0.805 156 A HN 0.137 nan 8.150 nan 0.000 0.460 157 L N -0.331 120.888 121.223 -0.006 0.000 2.313 157 L HA -0.036 4.318 4.340 0.024 0.000 0.214 157 L C 1.390 178.272 176.870 0.019 0.000 1.119 157 L CA 0.941 55.767 54.840 -0.022 0.000 0.809 157 L CB 0.092 42.143 42.059 -0.013 0.000 0.933 157 L HN 0.403 nan 8.230 nan 0.000 0.449 158 V N -5.167 114.780 119.914 0.054 0.000 2.988 158 V HA 0.435 4.570 4.120 0.024 0.000 0.356 158 V C 1.487 177.618 176.094 0.063 0.000 1.380 158 V CA 0.231 62.558 62.300 0.045 0.000 1.184 158 V CB 0.046 31.907 31.823 0.064 0.000 1.204 158 V HN 0.105 nan 8.190 nan 0.000 0.530 159 A N 1.519 124.379 122.820 0.065 0.000 2.172 159 A HA -0.076 4.258 4.320 0.024 0.000 0.216 159 A C 1.765 179.415 177.584 0.110 0.000 1.154 159 A CA 1.496 53.582 52.037 0.080 0.000 0.701 159 A CB -0.339 18.696 19.000 0.059 0.000 0.789 159 A HN 0.794 nan 8.150 nan 0.000 0.465 160 D N -0.919 119.544 120.400 0.104 0.000 2.339 160 D HA 0.051 4.706 4.640 0.024 0.000 0.217 160 D C 0.584 176.981 176.300 0.161 0.000 1.050 160 D CA 0.443 54.536 54.000 0.156 0.000 0.856 160 D CB -0.240 40.619 40.800 0.098 0.000 0.922 160 D HN 0.201 nan 8.370 nan 0.000 0.518 161 S N -0.058 115.705 115.700 0.105 0.000 2.525 161 S HA 0.533 5.017 4.470 0.024 0.000 0.278 161 S C -0.934 173.756 174.600 0.150 0.000 1.234 161 S CA -0.632 57.571 58.200 0.005 0.000 1.058 161 S CB 0.245 63.433 63.200 -0.020 0.000 0.983 161 S HN 0.363 nan 8.310 nan 0.000 0.495 162 Y N 0.534 120.851 120.300 0.029 0.000 2.852 162 Y HA 0.673 5.237 4.550 0.024 0.000 0.350 162 Y C -1.965 173.959 175.900 0.040 0.000 1.272 162 Y CA -1.351 56.779 58.100 0.049 0.000 1.086 162 Y CB 0.525 39.026 38.460 0.070 0.000 1.408 162 Y HN 0.300 nan 8.280 nan 0.000 0.447 163 V N 1.881 121.957 119.914 0.270 0.000 2.577 163 V HA 0.543 4.678 4.120 0.024 0.000 0.303 163 V C -0.593 175.680 176.094 0.298 0.000 1.042 163 V CA -1.020 61.371 62.300 0.151 0.000 0.872 163 V CB 1.594 33.435 31.823 0.029 0.000 0.998 163 V HN 0.753 nan 8.190 nan 0.000 0.423 164 K N 2.381 122.955 120.400 0.291 0.000 2.306 164 K HA 0.902 5.236 4.320 0.024 0.000 0.236 164 K C -0.943 175.781 176.600 0.207 0.000 1.013 164 K CA -0.820 55.646 56.287 0.299 0.000 0.857 164 K CB 2.571 35.272 32.500 0.335 0.000 1.214 164 K HN 0.587 nan 8.250 nan 0.000 0.449 165 V N -1.403 118.640 119.914 0.215 0.000 3.001 165 V HA 0.798 4.933 4.120 0.024 0.000 0.314 165 V C -1.040 175.196 176.094 0.235 0.000 1.099 165 V CA -0.924 61.456 62.300 0.132 0.000 0.989 165 V CB 1.210 33.080 31.823 0.078 0.000 1.040 165 V HN 0.781 nan 8.190 nan 0.000 0.434 166 F N -0.775 119.263 119.950 0.148 0.000 2.643 166 F HA 0.955 5.496 4.527 0.024 0.000 0.314 166 F C -0.522 175.370 175.800 0.153 0.000 1.096 166 F CA -0.507 57.572 58.000 0.133 0.000 0.953 166 F CB 1.658 40.720 39.000 0.104 0.000 1.345 166 F HN 0.883 nan 8.300 nan 0.000 0.468 167 T N -0.413 114.361 114.554 0.367 0.000 2.885 167 T HA 0.477 4.841 4.350 0.024 0.000 0.322 167 T C 0.472 175.310 174.700 0.230 0.000 1.387 167 T CA -0.066 62.185 62.100 0.252 0.000 1.041 167 T CB 1.398 70.341 68.868 0.126 0.000 1.287 167 T HN 1.208 nan 8.240 nan 0.000 0.491 168 G N 2.154 111.065 108.800 0.185 0.000 2.650 168 G HA2 0.027 4.001 3.960 0.024 0.000 0.214 168 G HA3 0.027 4.001 3.960 0.024 0.000 0.214 168 G C 0.675 175.627 174.900 0.086 0.000 1.136 168 G CA -0.087 45.080 45.100 0.113 0.000 0.789 168 G HN 0.671 nan 8.290 nan 0.000 0.536 169 N N 1.246 119.999 118.700 0.088 0.000 2.439 169 N HA 0.048 4.802 4.740 0.024 0.000 0.243 169 N C 0.166 175.718 175.510 0.069 0.000 1.088 169 N CA -0.285 52.805 53.050 0.067 0.000 0.940 169 N CB 0.727 39.248 38.487 0.057 0.000 1.180 169 N HN -0.021 nan 8.380 nan 0.000 0.505 170 D N 2.867 123.304 120.400 0.061 0.000 2.182 170 D HA -0.169 4.485 4.640 0.024 0.000 0.201 170 D C 0.906 177.240 176.300 0.057 0.000 0.986 170 D CA 1.542 55.578 54.000 0.062 0.000 0.847 170 D CB 0.456 41.287 40.800 0.051 0.000 0.942 170 D HN 0.630 nan 8.370 nan 0.000 0.467 171 E N 0.060 120.289 120.200 0.048 0.000 2.112 171 E HA -0.028 4.336 4.350 0.024 0.000 0.190 171 E C 2.171 178.800 176.600 0.048 0.000 0.979 171 E CA 0.120 56.545 56.400 0.043 0.000 0.814 171 E CB 0.035 29.755 29.700 0.034 0.000 0.762 171 E HN 0.190 nan 8.360 nan 0.000 0.460 172 I N 0.851 121.452 120.570 0.051 0.000 2.226 172 I HA -0.202 3.982 4.170 0.024 0.000 0.245 172 I C 2.157 178.316 176.117 0.070 0.000 1.100 172 I CA 1.257 62.589 61.300 0.054 0.000 1.374 172 I CB -1.315 36.715 38.000 0.051 0.000 1.057 172 I HN 0.066 nan 8.210 nan 0.000 0.413 173 A N 0.816 123.684 122.820 0.080 0.000 1.841 173 A HA -0.191 4.144 4.320 0.024 0.000 0.214 173 A C 1.922 179.559 177.584 0.090 0.000 1.195 173 A CA 1.709 53.806 52.037 0.099 0.000 0.611 173 A CB -0.758 18.309 19.000 0.112 0.000 0.835 173 A HN 0.328 nan 8.150 nan 0.000 0.443 174 D N -0.540 119.904 120.400 0.074 0.000 2.280 174 D HA -0.186 4.468 4.640 0.024 0.000 0.206 174 D C 1.665 178.000 176.300 0.058 0.000 0.988 174 D CA 1.540 55.577 54.000 0.062 0.000 0.886 174 D CB -0.262 40.568 40.800 0.050 0.000 0.914 174 D HN 0.788 nan 8.370 nan 0.000 0.473 175 E N -0.312 119.925 120.200 0.063 0.000 2.285 175 E HA -0.008 4.357 4.350 0.024 0.000 0.194 175 E C 0.665 177.313 176.600 0.079 0.000 0.997 175 E CA 0.025 56.461 56.400 0.060 0.000 0.845 175 E CB 0.270 30.001 29.700 0.053 0.000 0.782 175 E HN 0.197 nan 8.360 nan 0.000 0.491 176 I N 2.000 122.632 120.570 0.103 0.000 2.638 176 I HA -0.046 4.138 4.170 0.024 0.000 0.286 176 I C 0.449 176.644 176.117 0.130 0.000 1.088 176 I CA -0.579 60.811 61.300 0.150 0.000 1.397 176 I CB 0.496 38.610 38.000 0.190 0.000 1.414 176 I HN 0.060 nan 8.210 nan 0.000 0.566 177 D N 8.296 128.788 120.400 0.153 0.000 2.581 177 D HA -0.045 4.609 4.640 0.024 0.000 0.238 177 D C -1.459 174.812 176.300 -0.047 0.000 1.145 177 D CA -1.354 52.648 54.000 0.004 0.000 0.866 177 D CB 1.030 41.761 40.800 -0.115 0.000 1.151 177 D HN 0.233 nan 8.370 nan 0.000 0.500 178 P HA -0.139 nan 4.420 nan 0.000 0.226 178 P C 0.894 178.128 177.300 -0.110 0.000 1.146 178 P CA 0.876 63.953 63.100 -0.039 0.000 0.773 178 P CB 0.055 31.733 31.700 -0.036 0.000 0.772 179 A N -0.836 121.814 122.820 -0.283 0.000 2.015 179 A HA -0.114 4.221 4.320 0.024 0.000 0.219 179 A C 1.493 178.879 177.584 -0.330 0.000 1.163 179 A CA 1.149 52.939 52.037 -0.412 0.000 0.646 179 A CB -1.332 17.251 19.000 -0.695 0.000 0.806 179 A HN 0.111 nan 8.150 nan 0.000 0.448 180 F N -1.048 118.919 119.950 0.029 0.000 2.695 180 F HA 0.302 4.844 4.527 0.024 0.000 0.303 180 F C 0.249 176.103 175.800 0.089 0.000 1.091 180 F CA -0.640 57.395 58.000 0.057 0.000 1.300 180 F CB 0.098 39.136 39.000 0.065 0.000 1.071 180 F HN -0.148 nan 8.300 nan 0.000 0.578 181 V N 1.879 121.916 119.914 0.206 0.000 2.495 181 V HA 0.314 4.449 4.120 0.024 0.000 0.298 181 V C 0.168 176.366 176.094 0.172 0.000 1.031 181 V CA -1.030 61.391 62.300 0.202 0.000 0.871 181 V CB 2.380 34.301 31.823 0.163 0.000 0.988 181 V HN -0.055 nan 8.190 nan 0.000 0.432 182 I N 4.242 124.947 120.570 0.225 0.000 2.347 182 I HA 0.164 4.348 4.170 0.024 0.000 0.294 182 I C 0.155 176.385 176.117 0.189 0.000 1.090 182 I CA 0.109 61.525 61.300 0.193 0.000 1.314 182 I CB 0.444 38.574 38.000 0.216 0.000 1.423 182 I HN 0.576 nan 8.210 nan 0.000 0.503 183 D N 7.484 127.968 120.400 0.140 0.000 2.365 183 D HA 0.171 4.825 4.640 0.024 0.000 0.237 183 D C 1.105 177.502 176.300 0.163 0.000 1.190 183 D CA -0.141 53.940 54.000 0.135 0.000 0.867 183 D CB 1.029 41.885 40.800 0.094 0.000 1.050 183 D HN 0.432 nan 8.370 nan 0.000 0.491 184 I N 3.090 123.768 120.570 0.179 0.000 2.264 184 I HA -0.280 3.904 4.170 0.024 0.000 0.248 184 I C 1.918 178.188 176.117 0.254 0.000 1.111 184 I CA 0.597 62.043 61.300 0.245 0.000 1.382 184 I CB -0.133 37.912 38.000 0.074 0.000 1.060 184 I HN 0.372 nan 8.210 nan 0.000 0.418 185 N N 0.832 119.620 118.700 0.145 0.000 2.331 185 N HA -0.162 4.592 4.740 0.024 0.000 0.180 185 N C 1.779 177.349 175.510 0.100 0.000 1.019 185 N CA 0.959 54.077 53.050 0.114 0.000 0.881 185 N CB -0.090 38.444 38.487 0.077 0.000 0.972 185 N HN 0.441 nan 8.380 nan 0.000 0.435 186 K N 0.633 121.087 120.400 0.090 0.000 2.186 186 K HA 0.038 4.372 4.320 0.024 0.000 0.202 186 K C 1.326 177.936 176.600 0.018 0.000 1.052 186 K CA 0.713 57.030 56.287 0.050 0.000 0.965 186 K CB 0.361 32.883 32.500 0.037 0.000 0.746 186 K HN -0.023 nan 8.250 nan 0.000 0.457 187 Q N -0.653 119.152 119.800 0.008 0.000 2.384 187 Q HA 0.123 4.477 4.340 0.024 0.000 0.207 187 Q C -0.459 175.265 176.000 -0.461 0.000 0.904 187 Q CA 0.441 56.117 55.803 -0.212 0.000 0.933 187 Q CB 0.586 29.141 28.738 -0.306 0.000 1.077 187 Q HN 0.111 nan 8.270 nan 0.000 0.522 188 F N 1.836 121.788 119.950 0.002 0.000 2.532 188 F HA 0.404 4.945 4.527 0.024 0.000 0.321 188 F C -1.920 173.851 175.800 -0.049 0.000 1.089 188 F CA -2.654 55.334 58.000 -0.020 0.000 0.926 188 F CB 1.528 40.507 39.000 -0.035 0.000 1.168 188 F HN -0.176 nan 8.300 nan 0.000 0.459 189 P HA -0.024 nan 4.420 nan 0.000 0.271 189 P C 0.358 177.640 177.300 -0.030 0.000 1.233 189 P CA 0.053 63.107 63.100 -0.076 0.000 0.789 189 P CB 1.008 32.449 31.700 -0.432 0.000 0.951 190 E N 0.447 120.629 120.200 -0.030 0.000 2.077 190 E HA -0.227 4.137 4.350 0.024 0.000 0.193 190 E C 0.964 177.553 176.600 -0.017 0.000 0.989 190 E CA 1.462 57.860 56.400 -0.004 0.000 0.800 190 E CB -0.099 29.602 29.700 0.002 0.000 0.746 190 E HN 0.331 nan 8.360 nan 0.000 0.452 191 D N 0.401 120.773 120.400 -0.046 0.000 2.117 191 D HA -0.158 4.497 4.640 0.024 0.000 0.197 191 D C 2.028 178.305 176.300 -0.038 0.000 0.987 191 D CA 0.989 54.966 54.000 -0.039 0.000 0.829 191 D CB -0.260 40.513 40.800 -0.045 0.000 0.961 191 D HN 0.335 nan 8.370 nan 0.000 0.460 192 Q N 0.243 120.013 119.800 -0.050 0.000 2.119 192 Q HA -0.011 4.344 4.340 0.024 0.000 0.201 192 Q C 2.209 178.164 176.000 -0.075 0.000 0.972 192 Q CA 1.124 56.907 55.803 -0.033 0.000 0.847 192 Q CB -0.063 28.701 28.738 0.044 0.000 0.903 192 Q HN 0.206 nan 8.270 nan 0.000 0.433 193 A N 1.341 124.151 122.820 -0.016 0.000 1.902 193 A HA -0.209 4.125 4.320 0.024 0.000 0.217 193 A C 1.927 179.479 177.584 -0.053 0.000 1.181 193 A CA 1.307 53.320 52.037 -0.040 0.000 0.623 193 A CB -0.261 18.775 19.000 0.060 0.000 0.818 193 A HN 0.185 nan 8.150 nan 0.000 0.443 194 E N -0.441 119.745 120.200 -0.024 0.000 2.106 194 E HA -0.104 4.260 4.350 0.024 0.000 0.192 194 E C 2.142 178.733 176.600 -0.015 0.000 0.984 194 E CA 1.545 57.937 56.400 -0.013 0.000 0.806 194 E CB -0.814 28.886 29.700 -0.001 0.000 0.750 194 E HN 0.585 nan 8.360 nan 0.000 0.458 195 T N 1.892 116.436 114.554 -0.017 0.000 2.708 195 T HA -0.100 4.264 4.350 0.024 0.000 0.266 195 T C 2.126 176.824 174.700 -0.004 0.000 1.037 195 T CA 0.918 63.027 62.100 0.015 0.000 1.146 195 T CB -0.244 68.647 68.868 0.038 0.000 0.865 195 T HN 0.087 nan 8.240 nan 0.000 0.435 196 L N 0.363 121.528 121.223 -0.096 0.000 2.083 196 L HA -0.087 4.267 4.340 0.024 0.000 0.209 196 L C 2.634 179.417 176.870 -0.146 0.000 1.083 196 L CA 1.362 56.080 54.840 -0.204 0.000 0.752 196 L CB -0.432 41.351 42.059 -0.461 0.000 0.899 196 L HN 0.223 nan 8.230 nan 0.000 0.433 197 K N 0.050 120.397 120.400 -0.089 0.000 2.097 197 K HA -0.094 4.240 4.320 0.024 0.000 0.205 197 K C 2.239 178.837 176.600 -0.003 0.000 1.050 197 K CA 1.235 57.509 56.287 -0.022 0.000 0.938 197 K CB -0.241 32.261 32.500 0.003 0.000 0.718 197 K HN 0.262 nan 8.250 nan 0.000 0.442 198 A N 1.754 124.572 122.820 -0.005 0.000 1.972 198 A HA -0.170 4.164 4.320 0.024 0.000 0.219 198 A C 1.897 179.484 177.584 0.006 0.000 1.169 198 A CA 1.337 53.380 52.037 0.011 0.000 0.635 198 A CB -0.196 18.816 19.000 0.019 0.000 0.810 198 A HN 0.161 nan 8.150 nan 0.000 0.446 199 E N -0.164 120.021 120.200 -0.025 0.000 2.072 199 E HA -0.098 4.267 4.350 0.024 0.000 0.191 199 E C 2.162 178.730 176.600 -0.055 0.000 0.985 199 E CA 1.351 57.711 56.400 -0.066 0.000 0.801 199 E CB -0.464 29.118 29.700 -0.197 0.000 0.750 199 E HN 0.421 nan 8.360 nan 0.000 0.452 200 V N 0.171 120.070 119.914 -0.026 0.000 2.488 200 V HA -0.025 4.109 4.120 0.024 0.000 0.246 200 V C 1.623 177.788 176.094 0.119 0.000 1.046 200 V CA 1.124 63.472 62.300 0.079 0.000 1.053 200 V CB -0.986 30.939 31.823 0.171 0.000 0.679 200 V HN 0.438 nan 8.190 nan 0.000 0.458 201 G N 0.856 109.703 108.800 0.077 0.000 2.566 201 G HA2 -0.343 3.631 3.960 0.024 0.000 0.280 201 G HA3 -0.343 3.631 3.960 0.024 0.000 0.280 201 G C 0.301 175.252 174.900 0.084 0.000 1.225 201 G CA 0.461 45.603 45.100 0.070 0.000 0.966 201 G HN 0.372 nan 8.290 nan 0.000 0.560 202 D N 1.955 122.394 120.400 0.065 0.000 2.349 202 D HA 0.258 4.913 4.640 0.024 0.000 0.224 202 D C 1.621 177.943 176.300 0.037 0.000 1.029 202 D CA 1.022 55.052 54.000 0.050 0.000 0.879 202 D CB -0.569 40.249 40.800 0.031 0.000 0.906 202 D HN 0.747 nan 8.370 nan 0.000 0.528 203 G N 0.589 109.431 108.800 0.070 0.000 2.491 203 G HA2 0.344 4.318 3.960 0.024 0.000 0.238 203 G HA3 0.344 4.318 3.960 0.024 0.000 0.238 203 G C -0.059 174.799 174.900 -0.070 0.000 1.277 203 G CA -0.254 44.840 45.100 -0.009 0.000 0.851 203 G HN 0.128 nan 8.290 nan 0.000 0.573 204 I N 0.574 120.911 120.570 -0.388 0.000 2.436 204 I HA 0.385 4.569 4.170 0.024 0.000 0.289 204 I C -1.110 174.532 176.117 -0.792 0.000 1.010 204 I CA -0.565 60.518 61.300 -0.361 0.000 1.098 204 I CB 2.073 39.956 38.000 -0.195 0.000 1.266 204 I HN 0.473 nan 8.210 nan 0.000 0.434 205 W N 4.255 125.198 121.300 -0.596 0.000 2.785 205 W HA 0.511 5.186 4.660 0.025 0.000 0.333 205 W C -0.571 175.596 176.519 -0.586 0.000 1.062 205 W CA -0.439 56.495 57.345 -0.684 0.000 1.233 205 W CB 1.466 30.283 29.460 -1.070 0.000 1.413 205 W HN 0.305 nan 8.180 nan 0.000 0.489 206 Q N 1.263 120.989 119.800 -0.124 0.000 2.235 206 Q HA 0.545 4.900 4.340 0.024 0.000 0.250 206 Q C -0.739 175.277 176.000 0.026 0.000 0.909 206 Q CA -0.749 55.035 55.803 -0.032 0.000 0.910 206 Q CB 1.938 30.675 28.738 -0.002 0.000 1.223 206 Q HN 0.232 nan 8.270 nan 0.000 0.432 207 V N 3.093 123.046 119.914 0.064 0.000 2.357 207 V HA 0.303 4.438 4.120 0.024 0.000 0.284 207 V C -0.484 175.581 176.094 -0.049 0.000 1.018 207 V CA -0.648 61.667 62.300 0.027 0.000 0.841 207 V CB 1.438 33.301 31.823 0.067 0.000 0.991 207 V HN 0.493 nan 8.190 nan 0.000 0.437 208 V N 6.469 126.328 119.914 -0.093 0.000 2.417 208 V HA 0.551 4.685 4.120 0.024 0.000 0.291 208 V C 0.046 176.012 176.094 -0.213 0.000 1.024 208 V CA -0.748 61.478 62.300 -0.122 0.000 0.861 208 V CB 1.840 33.639 31.823 -0.039 0.000 0.985 208 V HN 0.792 nan 8.190 nan 0.000 0.436 209 R N 5.073 125.366 120.500 -0.344 0.000 2.360 209 R HA 0.584 4.938 4.340 0.024 0.000 0.318 209 R C -0.331 175.794 176.300 -0.292 0.000 0.950 209 R CA -0.544 55.332 56.100 -0.374 0.000 0.837 209 R CB 2.087 32.038 30.300 -0.582 0.000 1.165 209 R HN 0.843 nan 8.270 nan 0.000 0.458 210 I N -0.055 120.349 120.570 -0.276 0.000 2.970 210 I HA 0.513 4.698 4.170 0.024 0.000 0.310 210 I C -2.316 173.564 176.117 -0.395 0.000 1.010 210 I CA -2.762 58.286 61.300 -0.421 0.000 1.228 210 I CB 0.702 38.293 38.000 -0.682 0.000 1.433 210 I HN 0.253 nan 8.210 nan 0.000 0.573 211 P HA 0.143 nan 4.420 nan 0.000 0.271 211 P C 0.181 177.325 177.300 -0.259 0.000 1.216 211 P CA -0.120 62.805 63.100 -0.290 0.000 0.776 211 P CB 0.878 32.406 31.700 -0.287 0.000 0.881 212 T N 2.392 116.862 114.554 -0.139 0.000 2.759 212 T HA -0.169 4.195 4.350 0.024 0.000 0.269 212 T C 1.612 176.257 174.700 -0.092 0.000 1.042 212 T CA 1.074 63.116 62.100 -0.097 0.000 1.140 212 T CB -0.683 68.174 68.868 -0.018 0.000 0.864 212 T HN 0.420 nan 8.240 nan 0.000 0.455 213 I N 0.757 121.277 120.570 -0.083 0.000 2.286 213 I HA -0.152 4.033 4.170 0.024 0.000 0.248 213 I C 2.106 178.170 176.117 -0.089 0.000 1.115 213 I CA 1.067 62.332 61.300 -0.058 0.000 1.392 213 I CB 0.016 37.995 38.000 -0.036 0.000 1.065 213 I HN 0.069 nan 8.210 nan 0.000 0.418 214 V N -0.390 119.413 119.914 -0.186 0.000 2.379 214 V HA -0.227 3.908 4.120 0.024 0.000 0.245 214 V C 2.516 178.514 176.094 -0.160 0.000 1.044 214 V CA 1.915 64.081 62.300 -0.224 0.000 1.036 214 V CB -0.273 31.200 31.823 -0.583 0.000 0.664 214 V HN 0.452 nan 8.190 nan 0.000 0.453 215 S N -0.530 115.059 115.700 -0.185 0.000 2.382 215 S HA -0.197 4.288 4.470 0.024 0.000 0.228 215 S C 2.186 176.762 174.600 -0.041 0.000 1.027 215 S CA 1.586 59.713 58.200 -0.123 0.000 0.991 215 S CB -0.171 62.927 63.200 -0.171 0.000 0.823 215 S HN 0.542 nan 8.310 nan 0.000 0.469 216 R N -0.185 120.297 120.500 -0.031 0.000 2.062 216 R HA -0.012 4.342 4.340 0.024 0.000 0.229 216 R C 2.474 178.791 176.300 0.028 0.000 1.128 216 R CA 1.776 57.888 56.100 0.020 0.000 0.960 216 R CB -0.871 29.444 30.300 0.024 0.000 0.855 216 R HN 0.350 nan 8.270 nan 0.000 0.432 217 T N 0.282 114.845 114.554 0.014 0.000 2.788 217 T HA -0.125 4.240 4.350 0.024 0.000 0.268 217 T C 1.502 176.228 174.700 0.043 0.000 1.044 217 T CA 1.002 63.119 62.100 0.029 0.000 1.139 217 T CB -0.033 68.852 68.868 0.028 0.000 0.867 217 T HN 0.284 nan 8.240 nan 0.000 0.454 218 C N 0.610 119.935 119.300 0.042 0.000 3.178 218 C HA 0.606 5.081 4.460 0.024 0.000 0.099 218 C C -0.163 174.876 174.990 0.083 0.000 2.497 218 C CA -0.519 58.538 59.018 0.066 0.000 1.927 218 C CB 0.748 28.533 27.740 0.075 0.000 3.085 218 C HN 0.713 nan 8.230 nan 0.000 0.376 219 D N -1.116 119.341 120.400 0.095 0.000 2.677 219 D HA 0.314 4.969 4.640 0.024 0.000 0.298 219 D C 0.550 176.925 176.300 0.125 0.000 1.250 219 D CA 0.191 54.276 54.000 0.143 0.000 0.888 219 D CB 0.491 41.390 40.800 0.165 0.000 1.397 219 D HN 0.491 nan 8.370 nan 0.000 0.461 220 G N -0.527 108.380 108.800 0.178 0.000 2.443 220 G HA2 0.049 4.024 3.960 0.024 0.000 0.219 220 G HA3 0.049 4.024 3.960 0.024 0.000 0.219 220 G C 1.248 176.221 174.900 0.121 0.000 1.131 220 G CA 0.982 46.161 45.100 0.131 0.000 0.775 220 G HN 0.702 nan 8.290 nan 0.000 0.547 221 A N 0.128 123.024 122.820 0.126 0.000 2.209 221 A HA 0.153 4.487 4.320 0.024 0.000 0.212 221 A C 2.354 180.015 177.584 0.128 0.000 1.158 221 A CA 1.854 53.956 52.037 0.109 0.000 0.742 221 A CB -0.467 18.584 19.000 0.086 0.000 0.790 221 A HN 0.241 nan 8.150 nan 0.000 0.472 222 T N -0.206 114.424 114.554 0.127 0.000 2.867 222 T HA -0.098 4.266 4.350 0.024 0.000 0.268 222 T C 1.992 176.799 174.700 0.179 0.000 1.057 222 T CA 1.859 64.053 62.100 0.156 0.000 1.136 222 T CB -0.330 68.620 68.868 0.135 0.000 0.874 222 T HN 0.547 nan 8.240 nan 0.000 0.466 223 T N 2.303 116.932 114.554 0.126 0.000 2.684 223 T HA -0.139 4.226 4.350 0.024 0.000 0.267 223 T C 2.447 177.241 174.700 0.156 0.000 1.036 223 T CA 1.766 63.926 62.100 0.100 0.000 1.148 223 T CB -0.464 68.433 68.868 0.048 0.000 0.863 223 T HN 0.616 nan 8.240 nan 0.000 0.436 224 S N 1.473 117.283 115.700 0.184 0.000 2.453 224 S HA 0.015 4.500 4.470 0.024 0.000 0.231 224 S C 2.004 176.695 174.600 0.151 0.000 1.005 224 S CA 0.343 58.628 58.200 0.142 0.000 0.949 224 S CB -0.267 63.032 63.200 0.165 0.000 0.774 224 S HN 0.429 nan 8.310 nan 0.000 0.510 225 R N -0.031 120.577 120.500 0.181 0.000 2.057 225 R HA -0.003 4.352 4.340 0.024 0.000 0.229 225 R C 2.195 178.595 176.300 0.168 0.000 1.136 225 R CA 1.358 57.547 56.100 0.149 0.000 0.952 225 R CB -0.491 29.894 30.300 0.141 0.000 0.848 225 R HN 0.570 nan 8.270 nan 0.000 0.430 226 W N 1.850 123.166 121.300 0.026 0.000 2.333 226 W HA -0.216 4.459 4.660 0.024 0.000 0.316 226 W C 2.239 178.758 176.519 -0.001 0.000 1.215 226 W CA 1.942 59.293 57.345 0.010 0.000 1.278 226 W CB -0.788 28.674 29.460 0.005 0.000 1.154 226 W HN 0.082 nan 8.180 nan 0.000 0.486 227 S N 0.865 116.778 115.700 0.355 0.000 2.359 227 S HA -0.246 4.239 4.470 0.024 0.000 0.223 227 S C 2.132 176.791 174.600 0.098 0.000 1.039 227 S CA 2.815 61.136 58.200 0.202 0.000 1.042 227 S CB -0.838 62.433 63.200 0.117 0.000 0.915 227 S HN 0.275 nan 8.310 nan 0.000 0.439 228 A N 1.311 124.177 122.820 0.075 0.000 2.015 228 A HA 0.053 4.387 4.320 0.024 0.000 0.219 228 A C 2.246 179.840 177.584 0.017 0.000 1.163 228 A CA 1.516 53.581 52.037 0.047 0.000 0.646 228 A CB -0.514 18.517 19.000 0.051 0.000 0.806 228 A HN 0.574 nan 8.150 nan 0.000 0.448 229 M N -0.644 118.939 119.600 -0.030 0.000 2.132 229 M HA -0.097 4.397 4.480 0.024 0.000 0.263 229 M C 2.025 178.267 176.300 -0.097 0.000 1.065 229 M CA 1.269 56.515 55.300 -0.090 0.000 1.122 229 M CB -1.253 31.227 32.600 -0.200 0.000 1.365 229 M HN 0.372 nan 8.290 nan 0.000 0.411 230 Q N -0.269 119.465 119.800 -0.109 0.000 2.212 230 Q HA 0.162 4.517 4.340 0.024 0.000 0.199 230 Q C 2.249 178.232 176.000 -0.028 0.000 0.950 230 Q CA 0.763 56.509 55.803 -0.095 0.000 0.863 230 Q CB -0.165 28.514 28.738 -0.099 0.000 0.944 230 Q HN 0.529 nan 8.270 nan 0.000 0.465 231 I N 0.563 121.148 120.570 0.026 0.000 2.163 231 I HA -0.238 3.946 4.170 0.024 0.000 0.243 231 I C 2.232 178.389 176.117 0.067 0.000 1.085 231 I CA 1.440 62.806 61.300 0.109 0.000 1.347 231 I CB -0.582 37.483 38.000 0.109 0.000 1.044 231 I HN 0.232 nan 8.210 nan 0.000 0.408 232 G N 0.616 109.426 108.800 0.016 0.000 2.446 232 G HA2 -0.244 3.731 3.960 0.024 0.000 0.217 232 G HA3 -0.244 3.731 3.960 0.024 0.000 0.217 232 G C 1.616 176.486 174.900 -0.050 0.000 1.168 232 G CA 0.541 45.628 45.100 -0.023 0.000 0.771 232 G HN 0.123 nan 8.290 nan 0.000 0.551 233 M N 1.194 120.770 119.600 -0.041 0.000 2.159 233 M HA 0.010 4.505 4.480 0.024 0.000 0.263 233 M C 2.672 178.952 176.300 -0.034 0.000 1.063 233 M CA 1.034 56.308 55.300 -0.044 0.000 1.110 233 M CB -1.069 31.497 32.600 -0.057 0.000 1.374 233 M HN 0.174 nan 8.290 nan 0.000 0.411 234 S N -0.222 115.468 115.700 -0.016 0.000 2.414 234 S HA 0.047 4.532 4.470 0.024 0.000 0.227 234 S C 1.924 176.610 174.600 0.143 0.000 1.022 234 S CA 0.701 58.889 58.200 -0.019 0.000 0.958 234 S CB 0.028 63.125 63.200 -0.172 0.000 0.797 234 S HN 0.360 nan 8.310 nan 0.000 0.493 235 M N 1.033 120.718 119.600 0.141 0.000 2.132 235 M HA 0.046 4.540 4.480 0.024 0.000 0.263 235 M C 2.015 178.281 176.300 -0.057 0.000 1.065 235 M CA 1.289 56.583 55.300 -0.011 0.000 1.122 235 M CB -1.104 31.160 32.600 -0.560 0.000 1.365 235 M HN 0.298 nan 8.290 nan 0.000 0.411 236 I N -0.679 119.832 120.570 -0.098 0.000 2.179 236 I HA -0.296 3.889 4.170 0.024 0.000 0.242 236 I C 2.751 178.868 176.117 -0.000 0.000 1.088 236 I CA 1.288 62.559 61.300 -0.050 0.000 1.357 236 I CB -0.316 37.659 38.000 -0.041 0.000 1.051 236 I HN 0.299 nan 8.210 nan 0.000 0.409 237 S N 0.294 115.990 115.700 -0.006 0.000 2.357 237 S HA -0.098 4.386 4.470 0.024 0.000 0.221 237 S C 2.130 176.725 174.600 -0.008 0.000 1.031 237 S CA 1.339 59.531 58.200 -0.013 0.000 0.982 237 S CB -0.162 63.013 63.200 -0.041 0.000 0.853 237 S HN 0.449 nan 8.310 nan 0.000 0.458 238 A N -0.781 122.021 122.820 -0.031 0.000 2.016 238 A HA 0.171 4.505 4.320 0.024 0.000 0.217 238 A C 1.421 178.862 177.584 -0.239 0.000 1.162 238 A CA 0.864 52.827 52.037 -0.124 0.000 0.662 238 A CB -0.528 18.358 19.000 -0.189 0.000 0.812 238 A HN 0.697 nan 8.150 nan 0.000 0.450 239 Y N -1.115 119.208 120.300 0.040 0.000 2.467 239 Y HA 0.254 4.818 4.550 0.024 0.000 0.250 239 Y C 0.322 176.231 175.900 0.014 0.000 1.155 239 Y CA -0.130 57.983 58.100 0.021 0.000 1.249 239 Y CB 0.256 38.709 38.460 -0.012 0.000 1.146 239 Y HN 0.256 nan 8.280 nan 0.000 0.524 240 K N 0.958 121.418 120.400 0.099 0.000 3.125 240 K HA -0.236 4.098 4.320 0.024 0.000 0.268 240 K C -0.517 176.124 176.600 0.068 0.000 1.078 240 K CA 0.421 56.747 56.287 0.064 0.000 0.775 240 K CB -1.663 30.864 32.500 0.046 0.000 1.253 240 K HN 0.530 nan 8.250 nan 0.000 0.486 241 Q N 0.045 119.886 119.800 0.067 0.000 2.171 241 Q HA 0.637 4.991 4.340 0.024 0.000 0.217 241 Q C 0.446 176.471 176.000 0.041 0.000 0.995 241 Q CA -0.461 55.379 55.803 0.062 0.000 0.979 241 Q CB 0.621 29.404 28.738 0.074 0.000 1.152 241 Q HN 0.320 nan 8.270 nan 0.000 0.525 242 A N 0.461 123.306 122.820 0.041 0.000 2.520 242 A HA 0.357 4.692 4.320 0.024 0.000 0.235 242 A C 0.046 177.646 177.584 0.026 0.000 1.065 242 A CA 0.235 52.289 52.037 0.029 0.000 0.764 242 A CB -0.161 18.857 19.000 0.029 0.000 1.002 242 A HN 0.717 nan 8.150 nan 0.000 0.502 243 A N 1.920 124.751 122.820 0.018 0.000 2.990 243 A HA 0.535 4.869 4.320 0.024 0.000 0.282 243 A C 0.997 178.590 177.584 0.015 0.000 1.688 243 A CA 0.402 52.446 52.037 0.012 0.000 1.391 243 A CB -1.424 17.579 19.000 0.006 0.000 1.112 243 A HN 2.667 nan 8.150 nan 0.000 0.588 244 G N 1.703 110.518 108.800 0.025 0.000 2.740 244 G HA2 0.085 4.060 3.960 0.024 0.000 0.267 244 G HA3 0.085 4.060 3.960 0.024 0.000 0.267 244 G C -0.684 174.236 174.900 0.034 0.000 0.971 244 G CA -0.154 44.964 45.100 0.030 0.000 1.288 244 G HN 1.070 nan 8.290 nan 0.000 0.615 245 E N 0.042 120.271 120.200 0.049 0.000 2.404 245 E HA 0.829 5.193 4.350 0.024 0.000 0.264 245 E C 1.453 178.081 176.600 0.046 0.000 0.946 245 E CA -0.532 55.894 56.400 0.043 0.000 0.806 245 E CB 1.041 30.768 29.700 0.045 0.000 1.334 245 E HN 0.861 nan 8.360 nan 0.000 0.429 246 A N 0.639 123.477 122.820 0.030 0.000 1.940 246 A HA -0.142 4.192 4.320 0.024 0.000 0.219 246 A C 2.233 179.831 177.584 0.024 0.000 1.176 246 A CA 2.195 54.242 52.037 0.017 0.000 0.631 246 A CB -1.236 17.763 19.000 -0.002 0.000 0.814 246 A HN 0.680 nan 8.150 nan 0.000 0.446 247 A N -0.961 121.885 122.820 0.043 0.000 2.019 247 A HA -0.053 4.282 4.320 0.024 0.000 0.219 247 A C 2.177 179.845 177.584 0.140 0.000 1.164 247 A CA 2.071 54.132 52.037 0.041 0.000 0.644 247 A CB -1.180 17.865 19.000 0.075 0.000 0.805 247 A HN 0.445 nan 8.150 nan 0.000 0.449 248 T N -0.108 114.572 114.554 0.210 0.000 2.803 248 T HA -0.096 4.269 4.350 0.024 0.000 0.269 248 T C 1.891 176.728 174.700 0.227 0.000 1.052 248 T CA 1.380 63.656 62.100 0.293 0.000 1.136 248 T CB -0.492 68.465 68.868 0.148 0.000 0.864 248 T HN 0.600 nan 8.240 nan 0.000 0.467 249 G N 1.315 110.183 108.800 0.112 0.000 2.432 249 G HA2 -0.193 3.781 3.960 0.024 0.000 0.219 249 G HA3 -0.193 3.781 3.960 0.024 0.000 0.219 249 G C 1.284 176.222 174.900 0.064 0.000 1.135 249 G CA 0.683 45.829 45.100 0.076 0.000 0.767 249 G HN 0.378 nan 8.290 nan 0.000 0.550 250 D N 0.369 120.751 120.400 -0.030 0.000 2.183 250 D HA -0.033 4.622 4.640 0.024 0.000 0.203 250 D C 2.096 178.328 176.300 -0.114 0.000 0.969 250 D CA 0.409 54.340 54.000 -0.113 0.000 0.842 250 D CB -0.292 40.321 40.800 -0.310 0.000 0.957 250 D HN 0.365 nan 8.370 nan 0.000 0.484 251 F N 1.391 121.353 119.950 0.020 0.000 2.171 251 F HA -0.067 4.475 4.527 0.024 0.000 0.300 251 F C 2.456 178.269 175.800 0.020 0.000 1.090 251 F CA 0.836 58.835 58.000 -0.001 0.000 1.293 251 F CB -0.627 38.361 39.000 -0.020 0.000 1.013 251 F HN -0.077 nan 8.300 nan 0.000 0.486 252 A N -0.747 122.206 122.820 0.220 0.000 1.873 252 A HA -0.227 4.108 4.320 0.024 0.000 0.215 252 A C 2.061 179.731 177.584 0.143 0.000 1.186 252 A CA 1.343 53.473 52.037 0.154 0.000 0.616 252 A CB -1.425 17.657 19.000 0.135 0.000 0.823 252 A HN 0.441 nan 8.150 nan 0.000 0.442 253 Y N 0.732 121.052 120.300 0.034 0.000 2.224 253 Y HA -0.084 4.480 4.550 0.024 0.000 0.289 253 Y C 2.597 178.517 175.900 0.034 0.000 1.146 253 Y CA 1.050 59.165 58.100 0.025 0.000 1.182 253 Y CB -0.410 38.048 38.460 -0.003 0.000 0.983 253 Y HN 0.308 nan 8.280 nan 0.000 0.524 254 A N 0.057 122.900 122.820 0.038 0.000 1.898 254 A HA -0.025 4.309 4.320 0.024 0.000 0.216 254 A C 2.365 179.905 177.584 -0.073 0.000 1.181 254 A CA 1.621 53.646 52.037 -0.020 0.000 0.620 254 A CB -1.341 17.686 19.000 0.045 0.000 0.819 254 A HN 0.524 nan 8.150 nan 0.000 0.442 255 A N -0.751 122.056 122.820 -0.022 0.000 2.066 255 A HA 0.095 4.429 4.320 0.024 0.000 0.218 255 A C 1.379 178.938 177.584 -0.041 0.000 1.157 255 A CA 0.885 52.905 52.037 -0.028 0.000 0.670 255 A CB -0.088 18.926 19.000 0.023 0.000 0.804 255 A HN 0.521 nan 8.150 nan 0.000 0.453 259 E N 0.066 120.204 120.200 -0.102 0.000 2.968 259 E HA 0.487 4.852 4.350 0.024 0.000 0.202 259 E C -0.462 176.134 176.600 -0.006 0.000 0.979 259 E CA -0.133 56.190 56.400 -0.129 0.000 1.192 259 E CB 0.691 30.113 29.700 -0.463 0.000 1.059 259 E HN 0.263 nan 8.360 nan 0.000 0.470 260 V N 1.779 121.668 119.914 -0.041 0.000 2.617 260 V HA 0.348 4.482 4.120 0.024 0.000 0.298 260 V C -0.708 175.346 176.094 -0.067 0.000 1.048 260 V CA -0.794 61.455 62.300 -0.084 0.000 0.964 260 V CB 1.360 33.056 31.823 -0.212 0.000 1.004 260 V HN 0.265 nan 8.190 nan 0.000 0.466 261 I N 5.930 126.448 120.570 -0.086 0.000 2.390 261 I HA 0.409 4.593 4.170 0.024 0.000 0.283 261 I C -0.053 176.021 176.117 -0.071 0.000 1.016 261 I CA -0.353 60.910 61.300 -0.061 0.000 1.151 261 I CB 0.731 38.664 38.000 -0.112 0.000 1.293 261 I HN 0.696 nan 8.210 nan 0.000 0.458 262 H N 5.110 124.238 119.070 0.097 0.000 2.615 262 H HA 0.260 4.831 4.556 0.024 0.000 0.363 262 H C 1.228 176.671 175.328 0.191 0.000 1.148 262 H CA -0.342 55.774 56.048 0.113 0.000 1.401 262 H CB 1.297 31.116 29.762 0.095 0.000 1.461 262 H HN 0.398 nan 8.280 nan 0.000 0.588 263 M N 1.094 120.880 119.600 0.311 0.000 2.200 263 M HA 0.091 4.586 4.480 0.024 0.000 0.265 263 M C 1.012 177.468 176.300 0.260 0.000 1.066 263 M CA 0.754 56.252 55.300 0.329 0.000 1.127 263 M CB -0.432 32.310 32.600 0.237 0.000 1.379 263 M HN 0.694 nan 8.290 nan 0.000 0.420 264 G N -0.012 108.887 108.800 0.165 0.000 2.620 264 G HA2 0.532 4.507 3.960 0.024 0.000 0.301 264 G HA3 0.532 4.507 3.960 0.024 0.000 0.301 264 G C -0.656 174.225 174.900 -0.031 0.000 1.347 264 G CA -0.499 44.606 45.100 0.009 0.000 0.971 264 G HN 0.229 nan 8.290 nan 0.000 0.488 265 T N -1.258 113.219 114.554 -0.129 0.000 2.902 265 T HA 0.559 4.923 4.350 0.024 0.000 0.280 265 T C 0.335 174.917 174.700 -0.197 0.000 0.992 265 T CA -0.606 61.383 62.100 -0.185 0.000 1.015 265 T CB 1.024 69.739 68.868 -0.256 0.000 1.044 265 T HN 0.768 nan 8.240 nan 0.000 0.520 266 Y N 0.480 120.717 120.300 -0.105 0.000 2.385 266 Y HA 0.604 5.169 4.550 0.024 0.000 0.346 266 Y C -0.501 175.370 175.900 -0.048 0.000 1.270 266 Y CA -1.505 56.554 58.100 -0.069 0.000 1.472 266 Y CB 0.013 38.441 38.460 -0.054 0.000 1.354 266 Y HN 0.561 nan 8.280 nan 0.000 0.611 267 L N 2.993 124.327 121.223 0.185 0.000 2.334 267 L HA 0.518 4.873 4.340 0.024 0.000 0.270 267 L C -2.001 174.977 176.870 0.181 0.000 1.018 267 L CA -2.390 52.513 54.840 0.106 0.000 0.811 267 L CB 1.644 43.776 42.059 0.122 0.000 1.271 267 L HN 0.569 nan 8.230 nan 0.000 0.443 268 P HA 0.051 nan 4.420 nan 0.000 0.272 268 P C 0.822 178.180 177.300 0.096 0.000 1.240 268 P CA -0.401 62.760 63.100 0.102 0.000 0.791 268 P CB 1.017 32.744 31.700 0.045 0.000 0.978 269 V N 0.227 120.186 119.914 0.075 0.000 2.407 269 V HA -0.175 3.959 4.120 0.024 0.000 0.248 269 V C 1.904 178.031 176.094 0.055 0.000 1.055 269 V CA 1.467 63.804 62.300 0.062 0.000 1.049 269 V CB -0.868 30.979 31.823 0.040 0.000 0.662 269 V HN 0.610 nan 8.190 nan 0.000 0.455 273 R N 0.323 120.933 120.500 0.183 0.000 2.629 273 R HA 0.618 4.972 4.340 0.024 0.000 0.266 273 R C 0.546 176.949 176.300 0.172 0.000 1.051 273 R CA 0.193 56.414 56.100 0.201 0.000 0.895 273 R CB 1.889 32.341 30.300 0.254 0.000 1.246 273 R HN 1.391 nan 8.270 nan 0.000 0.459 274 G N 0.695 109.585 108.800 0.149 0.000 2.508 274 G HA2 0.256 4.231 3.960 0.024 0.000 0.278 274 G HA3 0.256 4.231 3.960 0.024 0.000 0.278 274 G C -0.634 174.328 174.900 0.103 0.000 1.389 274 G CA -0.348 44.824 45.100 0.119 0.000 1.050 274 G HN 0.486 nan 8.290 nan 0.000 0.522 275 E N -0.778 119.439 120.200 0.029 0.000 2.409 275 E HA 0.202 4.566 4.350 0.024 0.000 0.257 275 E C 0.252 176.880 176.600 0.047 0.000 1.150 275 E CA 0.136 56.496 56.400 -0.066 0.000 0.942 275 E CB 0.201 29.635 29.700 -0.443 0.000 0.979 275 E HN 0.409 nan 8.360 nan 0.000 0.447 276 N N 0.874 119.623 118.700 0.081 0.000 2.740 276 N HA -0.162 4.593 4.740 0.024 0.000 0.248 276 N C -1.351 174.330 175.510 0.285 0.000 1.062 276 N CA 0.844 53.998 53.050 0.173 0.000 0.704 276 N CB -0.710 37.867 38.487 0.150 0.000 0.968 276 N HN 0.335 nan 8.380 nan 0.000 0.547 277 E N -1.352 118.959 120.200 0.184 0.000 2.263 277 E HA 0.361 4.725 4.350 0.024 0.000 0.264 277 E C -1.615 174.779 176.600 -0.343 0.000 0.923 277 E CA -1.787 54.664 56.400 0.084 0.000 0.802 277 E CB 0.969 30.675 29.700 0.010 0.000 1.228 277 E HN -0.087 nan 8.360 nan 0.000 0.417 278 P HA -0.090 nan 4.420 nan 0.000 0.217 278 P C 1.234 177.824 177.300 -1.184 0.000 1.150 278 P CA 1.386 63.850 63.100 -1.060 0.000 0.832 278 P CB 0.190 31.168 31.700 -1.204 0.000 0.787 279 G N -0.506 107.053 108.800 -2.068 0.000 2.470 279 G HA2 -0.150 3.824 3.960 0.024 0.000 0.220 279 G HA3 -0.150 3.824 3.960 0.024 0.000 0.220 279 G C 1.541 176.049 174.900 -0.654 0.000 1.121 279 G CA 0.759 44.949 45.100 -1.516 0.000 0.766 279 G HN 0.393 nan 8.290 nan 0.000 0.553 280 G N -0.428 108.071 108.800 -0.502 0.000 2.985 280 G HA2 0.260 4.234 3.960 0.024 0.000 0.209 280 G HA3 0.260 4.234 3.960 0.024 0.000 0.209 280 G C 0.229 174.969 174.900 -0.266 0.000 1.165 280 G CA -0.043 44.871 45.100 -0.309 0.000 0.776 280 G HN 0.239 nan 8.290 nan 0.000 0.541 281 V N 3.761 123.540 119.914 -0.226 0.000 2.389 281 V HA 0.223 4.357 4.120 0.024 0.000 0.264 281 V C -1.677 174.318 176.094 -0.165 0.000 1.049 281 V CA -1.790 60.448 62.300 -0.105 0.000 0.932 281 V CB 1.321 33.176 31.823 0.052 0.000 1.011 281 V HN 0.106 nan 8.190 nan 0.000 0.475 282 P HA 0.139 nan 4.420 nan 0.000 0.272 282 P C 0.575 177.819 177.300 -0.094 0.000 1.230 282 P CA -0.196 62.685 63.100 -0.364 0.000 0.788 282 P CB 0.686 32.180 31.700 -0.344 0.000 0.949 283 F N 0.873 120.819 119.950 -0.006 0.000 2.216 283 F HA -0.055 4.487 4.527 0.025 0.000 0.300 283 F C 2.625 178.496 175.800 0.118 0.000 1.085 283 F CA 1.811 59.855 58.000 0.073 0.000 1.326 283 F CB -2.024 36.965 39.000 -0.019 0.000 1.027 283 F HN 0.398 nan 8.300 nan 0.000 0.497 284 G N -1.265 107.689 108.800 0.256 0.000 2.408 284 G HA2 -0.257 3.718 3.960 0.024 0.000 0.217 284 G HA3 -0.257 3.718 3.960 0.024 0.000 0.217 284 G C 1.527 176.731 174.900 0.508 0.000 1.150 284 G CA 0.562 45.873 45.100 0.351 0.000 0.776 284 G HN 0.251 nan 8.290 nan 0.000 0.542 285 Y N 0.102 120.587 120.300 0.308 0.000 2.200 285 Y HA 0.076 4.640 4.550 0.024 0.000 0.290 285 Y C 2.646 178.586 175.900 0.065 0.000 1.137 285 Y CA -0.288 57.901 58.100 0.147 0.000 1.163 285 Y CB -0.667 37.849 38.460 0.093 0.000 0.988 285 Y HN 0.066 nan 8.280 nan 0.000 0.518 286 L N -0.185 121.204 121.223 0.277 0.000 2.046 286 L HA -0.185 4.169 4.340 0.024 0.000 0.208 286 L C 2.228 179.155 176.870 0.096 0.000 1.077 286 L CA 2.096 57.012 54.840 0.127 0.000 0.747 286 L CB -1.187 40.986 42.059 0.190 0.000 0.896 286 L HN 0.227 nan 8.230 nan 0.000 0.432 287 A N -0.532 122.385 122.820 0.161 0.000 1.933 287 A HA -0.214 4.120 4.320 0.024 0.000 0.218 287 A C 1.858 179.505 177.584 0.106 0.000 1.175 287 A CA 1.747 53.864 52.037 0.132 0.000 0.628 287 A CB -0.488 18.606 19.000 0.157 0.000 0.814 287 A HN 0.479 nan 8.150 nan 0.000 0.444 288 D N -0.273 120.190 120.400 0.106 0.000 2.224 288 D HA -0.018 4.636 4.640 0.024 0.000 0.205 288 D C 1.807 178.095 176.300 -0.020 0.000 0.965 288 D CA 0.639 54.679 54.000 0.066 0.000 0.852 288 D CB -0.204 40.624 40.800 0.047 0.000 0.947 288 D HN 0.523 nan 8.370 nan 0.000 0.494 289 I N 0.499 120.973 120.570 -0.161 0.000 2.179 289 I HA -0.184 4.001 4.170 0.024 0.000 0.242 289 I C 1.439 177.409 176.117 -0.245 0.000 1.088 289 I CA 0.276 61.260 61.300 -0.528 0.000 1.357 289 I CB -0.030 37.492 38.000 -0.796 0.000 1.051 289 I HN 0.037 nan 8.210 nan 0.000 0.409 290 C N 2.634 121.921 119.300 -0.021 0.000 2.611 290 C HA -0.031 4.444 4.460 0.024 0.000 0.416 290 C C 1.527 176.607 174.990 0.150 0.000 1.366 290 C CA -0.116 58.990 59.018 0.146 0.000 1.761 290 C CB 0.002 27.809 27.740 0.112 0.000 2.619 290 C HN 0.415 nan 8.230 nan 0.000 0.606 291 Q N 3.139 123.061 119.800 0.203 0.000 2.198 291 Q HA 0.036 4.390 4.340 0.024 0.000 0.209 291 Q C 1.987 178.059 176.000 0.120 0.000 0.848 291 Q CA 0.262 56.162 55.803 0.162 0.000 0.974 291 Q CB 0.369 29.214 28.738 0.179 0.000 1.115 291 Q HN 0.937 nan 8.270 nan 0.000 0.494 292 S N 1.134 116.904 115.700 0.116 0.000 2.400 292 S HA -0.162 4.323 4.470 0.024 0.000 0.232 292 S C 2.022 176.693 174.600 0.118 0.000 1.025 292 S CA 1.743 59.998 58.200 0.090 0.000 0.993 292 S CB 0.121 63.366 63.200 0.075 0.000 0.808 292 S HN 0.581 nan 8.310 nan 0.000 0.478 293 S N 2.293 118.083 115.700 0.150 0.000 2.400 293 S HA -0.207 4.277 4.470 0.024 0.000 0.232 293 S C 1.806 176.559 174.600 0.255 0.000 1.025 293 S CA 1.265 59.582 58.200 0.194 0.000 0.993 293 S CB -0.703 62.616 63.200 0.200 0.000 0.808 293 S HN 0.860 nan 8.310 nan 0.000 0.478 294 R N 1.106 121.728 120.500 0.204 0.000 2.300 294 R HA 0.248 4.602 4.340 0.024 0.000 0.199 294 R C 1.747 178.197 176.300 0.251 0.000 0.920 294 R CA 0.800 57.010 56.100 0.182 0.000 1.046 294 R CB -0.305 29.897 30.300 -0.163 0.000 0.984 294 R HN 0.530 nan 8.270 nan 0.000 0.493 295 V N -3.279 116.749 119.914 0.189 0.000 3.307 295 V HA 0.275 4.409 4.120 0.024 0.000 0.244 295 V C 0.609 176.668 176.094 -0.059 0.000 1.196 295 V CA 0.014 62.371 62.300 0.095 0.000 1.132 295 V CB 0.145 31.982 31.823 0.023 0.000 0.875 295 V HN 0.152 nan 8.190 nan 0.000 0.468 296 N N 0.541 119.216 118.700 -0.041 0.000 2.389 296 N HA 0.224 4.979 4.740 0.024 0.000 0.260 296 N C 0.984 176.411 175.510 -0.139 0.000 1.191 296 N CA 0.261 53.230 53.050 -0.134 0.000 0.885 296 N CB 0.354 38.824 38.487 -0.028 0.000 1.162 296 N HN 0.832 nan 8.380 nan 0.000 0.512 297 Y N 0.138 120.460 120.300 0.036 0.000 2.421 297 Y HA 0.146 4.710 4.550 0.023 0.000 0.292 297 Y C 1.626 177.538 175.900 0.020 0.000 1.136 297 Y CA 0.501 58.623 58.100 0.038 0.000 1.255 297 Y CB -0.198 38.292 38.460 0.051 0.000 0.991 297 Y HN -0.125 nan 8.280 nan 0.000 0.552 298 E N 0.518 120.567 120.200 -0.252 0.000 2.409 298 E HA -0.114 4.250 4.350 0.024 0.000 0.198 298 E C -0.197 176.372 176.600 -0.050 0.000 1.024 298 E CA 0.921 57.266 56.400 -0.093 0.000 0.861 298 E CB -0.142 29.459 29.700 -0.165 0.000 0.788 298 E HN 0.496 nan 8.360 nan 0.000 0.521 299 D N -0.190 120.180 120.400 -0.050 0.000 2.378 299 D HA 0.106 4.760 4.640 0.024 0.000 0.265 299 D C -1.955 174.323 176.300 -0.036 0.000 1.229 299 D CA -2.157 51.832 54.000 -0.017 0.000 0.914 299 D CB 1.351 42.169 40.800 0.030 0.000 1.140 299 D HN -0.188 nan 8.370 nan 0.000 0.516 300 P HA -0.107 nan 4.420 nan 0.000 0.220 300 P C 1.568 178.817 177.300 -0.084 0.000 1.148 300 P CA 0.334 63.363 63.100 -0.119 0.000 0.803 300 P CB 0.745 32.256 31.700 -0.314 0.000 0.782 301 V N 0.907 120.707 119.914 -0.190 0.000 2.307 301 V HA -0.193 3.941 4.120 0.024 0.000 0.245 301 V C 2.927 178.967 176.094 -0.089 0.000 1.045 301 V CA 1.988 64.191 62.300 -0.162 0.000 1.024 301 V CB -1.139 30.259 31.823 -0.707 0.000 0.651 301 V HN 0.069 nan 8.190 nan 0.000 0.449 302 R N 0.564 121.037 120.500 -0.045 0.000 2.081 302 R HA -0.116 4.238 4.340 0.024 0.000 0.235 302 R C 1.981 178.307 176.300 0.042 0.000 1.131 302 R CA 1.916 58.034 56.100 0.029 0.000 0.960 302 R CB -1.123 29.215 30.300 0.063 0.000 0.856 302 R HN 0.329 nan 8.270 nan 0.000 0.436 303 V N 0.080 120.026 119.914 0.053 0.000 2.307 303 V HA -0.214 3.920 4.120 0.024 0.000 0.245 303 V C 2.175 178.326 176.094 0.095 0.000 1.045 303 V CA 2.246 64.595 62.300 0.082 0.000 1.024 303 V CB -0.563 31.323 31.823 0.104 0.000 0.651 303 V HN 0.398 nan 8.190 nan 0.000 0.449 304 S N -0.021 115.751 115.700 0.120 0.000 2.382 304 S HA -0.067 4.417 4.470 0.024 0.000 0.228 304 S C 1.853 176.502 174.600 0.081 0.000 1.027 304 S CA 1.366 59.640 58.200 0.124 0.000 0.991 304 S CB -0.287 63.028 63.200 0.191 0.000 0.823 304 S HN 0.454 nan 8.310 nan 0.000 0.469 305 L N 1.061 122.325 121.223 0.068 0.000 2.240 305 L HA -0.039 4.315 4.340 0.024 0.000 0.211 305 L C 1.884 178.789 176.870 0.058 0.000 1.106 305 L CA 0.789 55.665 54.840 0.060 0.000 0.793 305 L CB -0.565 41.524 42.059 0.050 0.000 0.927 305 L HN 0.177 nan 8.230 nan 0.000 0.446 306 D N -0.008 120.419 120.400 0.045 0.000 2.144 306 D HA -0.133 4.521 4.640 0.024 0.000 0.200 306 D C 2.325 178.642 176.300 0.030 0.000 0.978 306 D CA 0.993 55.005 54.000 0.019 0.000 0.833 306 D CB 0.039 40.850 40.800 0.018 0.000 0.961 306 D HN 0.078 nan 8.370 nan 0.000 0.470 307 V N 0.587 120.535 119.914 0.057 0.000 2.358 307 V HA -0.186 3.948 4.120 0.024 0.000 0.246 307 V C 2.645 178.775 176.094 0.060 0.000 1.047 307 V CA 0.887 63.225 62.300 0.064 0.000 1.035 307 V CB -0.330 31.541 31.823 0.080 0.000 0.658 307 V HN 0.053 nan 8.190 nan 0.000 0.452 308 V N 0.440 120.391 119.914 0.063 0.000 2.332 308 V HA -0.287 3.848 4.120 0.024 0.000 0.248 308 V C 2.711 178.878 176.094 0.122 0.000 1.055 308 V CA 2.101 64.446 62.300 0.075 0.000 1.038 308 V CB -1.155 30.713 31.823 0.076 0.000 0.651 308 V HN 0.568 nan 8.190 nan 0.000 0.450 309 A N -0.323 122.568 122.820 0.119 0.000 1.902 309 A HA -0.229 4.106 4.320 0.024 0.000 0.217 309 A C 2.405 180.067 177.584 0.131 0.000 1.181 309 A CA 2.508 54.633 52.037 0.146 0.000 0.623 309 A CB -1.002 17.989 19.000 -0.014 0.000 0.818 309 A HN 0.506 nan 8.150 nan 0.000 0.443 310 T N -0.299 114.283 114.554 0.046 0.000 2.684 310 T HA -0.075 4.290 4.350 0.024 0.000 0.267 310 T C 1.935 176.638 174.700 0.004 0.000 1.036 310 T CA 1.661 63.789 62.100 0.048 0.000 1.148 310 T CB -0.628 68.251 68.868 0.019 0.000 0.863 310 T HN 0.582 nan 8.240 nan 0.000 0.436 311 G N 0.609 109.405 108.800 -0.007 0.000 2.408 311 G HA2 0.116 4.090 3.960 0.024 0.000 0.215 311 G HA3 0.116 4.090 3.960 0.024 0.000 0.215 311 G C 1.809 176.759 174.900 0.083 0.000 1.156 311 G CA 0.755 45.809 45.100 -0.077 0.000 0.793 311 G HN 0.566 nan 8.290 nan 0.000 0.535 312 A N 0.565 123.478 122.820 0.155 0.000 1.898 312 A HA 0.051 4.386 4.320 0.024 0.000 0.216 312 A C 2.286 179.986 177.584 0.192 0.000 1.181 312 A CA 1.893 54.053 52.037 0.205 0.000 0.620 312 A CB -0.372 18.789 19.000 0.268 0.000 0.819 312 A HN 0.334 nan 8.150 nan 0.000 0.442 313 M N -0.608 119.084 119.600 0.152 0.000 2.077 313 M HA -0.097 4.397 4.480 0.024 0.000 0.261 313 M C 2.127 178.400 176.300 -0.046 0.000 1.070 313 M CA 1.928 57.237 55.300 0.015 0.000 1.125 313 M CB -0.848 31.592 32.600 -0.267 0.000 1.339 313 M HN 0.384 nan 8.290 nan 0.000 0.409 314 L N 0.146 121.304 121.223 -0.109 0.000 2.017 314 L HA -0.204 4.151 4.340 0.024 0.000 0.208 314 L C 2.041 178.854 176.870 -0.094 0.000 1.073 314 L CA 2.005 56.715 54.840 -0.216 0.000 0.745 314 L CB -1.254 40.577 42.059 -0.380 0.000 0.894 314 L HN 0.293 nan 8.230 nan 0.000 0.432 315 Y N -0.544 119.769 120.300 0.022 0.000 2.337 315 Y HA -0.063 4.501 4.550 0.024 0.000 0.293 315 Y C 2.381 178.392 175.900 0.185 0.000 1.123 315 Y CA 0.962 59.134 58.100 0.120 0.000 1.201 315 Y CB -0.556 37.976 38.460 0.120 0.000 1.011 315 Y HN 0.276 nan 8.280 nan 0.000 0.545 316 D N -1.020 119.549 120.400 0.281 0.000 2.259 316 D HA -0.050 4.604 4.640 0.024 0.000 0.216 316 D C 1.963 178.416 176.300 0.255 0.000 0.961 316 D CA 0.895 55.043 54.000 0.248 0.000 0.878 316 D CB -0.135 40.780 40.800 0.192 0.000 1.009 316 D HN 0.356 nan 8.370 nan 0.000 0.490 317 Q N -0.012 119.871 119.800 0.138 0.000 2.033 317 Q HA 0.089 4.444 4.340 0.024 0.000 0.196 317 Q C 2.288 178.193 176.000 -0.160 0.000 0.970 317 Q CA 0.737 56.578 55.803 0.064 0.000 0.828 317 Q CB 0.417 29.183 28.738 0.046 0.000 0.895 317 Q HN 0.257 nan 8.270 nan 0.000 0.440 318 I N -0.502 119.889 120.570 -0.299 0.000 2.429 318 I HA -0.150 4.035 4.170 0.024 0.000 0.247 318 I C 2.163 178.186 176.117 -0.157 0.000 1.099 318 I CA 0.610 61.554 61.300 -0.594 0.000 1.422 318 I CB -0.248 37.417 38.000 -0.559 0.000 1.112 318 I HN 0.414 nan 8.210 nan 0.000 0.430 319 W N 1.918 123.072 121.300 -0.243 0.000 2.423 319 W HA -0.120 4.554 4.660 0.024 0.000 0.321 319 W C 2.136 178.661 176.519 0.009 0.000 1.180 319 W CA 1.066 58.306 57.345 -0.176 0.000 1.322 319 W CB -0.282 29.049 29.460 -0.214 0.000 1.174 319 W HN -0.018 nan 8.180 nan 0.000 0.470 320 L N 0.920 122.077 121.223 -0.110 0.000 2.093 320 L HA -0.058 4.296 4.340 0.024 0.000 0.208 320 L C 2.662 179.567 176.870 0.058 0.000 1.085 320 L CA 1.494 56.266 54.840 -0.113 0.000 0.755 320 L CB -1.349 40.783 42.059 0.121 0.000 0.904 320 L HN 0.147 nan 8.230 nan 0.000 0.435 321 G N -2.136 106.710 108.800 0.078 0.000 2.813 321 G HA2 -0.065 3.909 3.960 0.024 0.000 0.209 321 G HA3 -0.065 3.909 3.960 0.024 0.000 0.209 321 G C 1.454 176.205 174.900 -0.248 0.000 1.150 321 G CA 0.871 45.771 45.100 -0.332 0.000 0.785 321 G HN 0.320 nan 8.290 nan 0.000 0.535 322 S N -1.885 113.727 115.700 -0.147 0.000 3.952 322 S HA 0.134 4.619 4.470 0.024 0.000 0.211 322 S C 1.686 176.224 174.600 -0.103 0.000 1.098 322 S CA -0.139 58.013 58.200 -0.080 0.000 0.954 322 S CB -0.525 62.645 63.200 -0.050 0.000 1.222 322 S HN 0.142 nan 8.310 nan 0.000 0.585 323 Y N 1.768 121.922 120.300 -0.243 0.000 2.139 323 Y HA -0.021 4.544 4.550 0.024 0.000 0.282 323 Y C 2.197 177.862 175.900 -0.393 0.000 1.179 323 Y CA 1.622 59.565 58.100 -0.262 0.000 1.161 323 Y CB -0.052 38.244 38.460 -0.273 0.000 0.970 323 Y HN 0.289 nan 8.280 nan 0.000 0.511 324 M N -1.413 117.960 119.600 -0.379 0.000 2.383 324 M HA 0.167 4.661 4.480 0.024 0.000 0.247 324 M C 0.916 177.104 176.300 -0.187 0.000 1.117 324 M CA 0.550 55.630 55.300 -0.367 0.000 0.995 324 M CB -0.440 31.810 32.600 -0.584 0.000 1.480 324 M HN 0.370 nan 8.290 nan 0.000 0.485 325 S N -1.202 114.402 115.700 -0.160 0.000 5.444 325 S HA 0.713 5.197 4.470 0.024 0.000 0.141 325 S C 0.628 175.148 174.600 -0.133 0.000 1.258 325 S CA 0.307 58.429 58.200 -0.129 0.000 1.126 325 S CB 0.832 63.950 63.200 -0.136 0.000 2.053 325 S HN 0.496 nan 8.310 nan 0.000 0.692 326 G N -0.147 108.539 108.800 -0.189 0.000 2.462 326 G HA2 0.474 4.448 3.960 0.024 0.000 0.685 326 G HA3 0.474 4.448 3.960 0.024 0.000 0.685 326 G C 0.565 175.396 174.900 -0.115 0.000 1.295 326 G CA 0.299 45.334 45.100 -0.108 0.000 0.941 326 G HN 2.543 nan 8.290 nan 0.000 0.554 327 G N -2.247 106.525 108.800 -0.047 0.000 2.466 327 G HA2 0.134 4.109 3.960 0.024 0.000 0.218 327 G HA3 0.134 4.109 3.960 0.024 0.000 0.218 327 G C 1.116 176.020 174.900 0.006 0.000 1.237 327 G CA 0.931 46.009 45.100 -0.037 0.000 0.954 327 G HN 1.978 nan 8.290 nan 0.000 0.580 328 V N 2.103 122.027 119.914 0.018 0.000 2.380 328 V HA 0.225 4.360 4.120 0.024 0.000 0.251 328 V C 2.671 178.850 176.094 0.140 0.000 1.063 328 V CA 3.431 65.793 62.300 0.104 0.000 1.055 328 V CB -1.546 30.329 31.823 0.085 0.000 0.657 328 V HN 2.778 nan 8.190 nan 0.000 0.455 329 G N -0.473 108.278 108.800 -0.082 0.000 2.553 329 G HA2 -0.253 3.722 3.960 0.024 0.000 0.242 329 G HA3 -0.253 3.722 3.960 0.024 0.000 0.242 329 G C -0.324 174.504 174.900 -0.120 0.000 1.277 329 G CA 0.137 45.008 45.100 -0.382 0.000 0.910 329 G HN 0.264 nan 8.290 nan 0.000 0.576 330 F N 1.472 121.467 119.950 0.074 0.000 2.818 330 F HA 0.401 4.943 4.527 0.025 0.000 0.369 330 F C 2.014 177.844 175.800 0.050 0.000 1.327 330 F CA -0.057 58.025 58.000 0.137 0.000 1.211 330 F CB 0.075 39.204 39.000 0.215 0.000 1.036 330 F HN 0.415 nan 8.300 nan 0.000 0.510 331 T N -0.678 113.933 114.554 0.096 0.000 2.652 331 T HA -0.238 4.126 4.350 0.024 0.000 0.267 331 T C 1.886 176.563 174.700 -0.039 0.000 1.039 331 T CA 1.835 63.935 62.100 -0.001 0.000 1.153 331 T CB -0.043 68.806 68.868 -0.033 0.000 0.863 331 T HN 0.367 nan 8.240 nan 0.000 0.428 332 Q N -0.703 119.048 119.800 -0.082 0.000 2.311 332 Q HA 0.024 4.379 4.340 0.024 0.000 0.203 332 Q C 1.859 177.741 176.000 -0.197 0.000 0.954 332 Q CA 0.626 56.296 55.803 -0.222 0.000 0.885 332 Q CB -0.147 28.475 28.738 -0.193 0.000 0.963 332 Q HN 0.557 nan 8.270 nan 0.000 0.471 333 Y N 0.195 120.442 120.300 -0.088 0.000 2.256 333 Y HA -0.214 4.350 4.550 0.024 0.000 0.288 333 Y C 2.235 178.085 175.900 -0.083 0.000 1.155 333 Y CA 1.121 59.162 58.100 -0.099 0.000 1.203 333 Y CB -0.376 38.025 38.460 -0.098 0.000 0.980 333 Y HN 0.160 nan 8.280 nan 0.000 0.530 334 A N -0.679 122.199 122.820 0.096 0.000 1.911 334 A HA -0.089 4.245 4.320 0.024 0.000 0.212 334 A C 2.300 179.744 177.584 -0.234 0.000 1.189 334 A CA 1.550 53.622 52.037 0.058 0.000 0.639 334 A CB -1.181 17.934 19.000 0.191 0.000 0.839 334 A HN 0.441 nan 8.150 nan 0.000 0.449 335 T N -1.638 112.619 114.554 -0.495 0.000 2.849 335 T HA -0.010 4.355 4.350 0.024 0.000 0.270 335 T C 1.831 176.111 174.700 -0.699 0.000 1.066 335 T CA 1.501 62.951 62.100 -1.084 0.000 1.130 335 T CB -0.553 67.749 68.868 -0.944 0.000 0.864 335 T HN 0.546 nan 8.240 nan 0.000 0.481 336 A N 1.701 124.295 122.820 -0.377 0.000 2.024 336 A HA 0.307 4.642 4.320 0.024 0.000 0.220 336 A C 2.605 180.098 177.584 -0.150 0.000 1.164 336 A CA 1.607 53.515 52.037 -0.216 0.000 0.643 336 A CB -1.098 17.823 19.000 -0.131 0.000 0.806 336 A HN 0.808 nan 8.150 nan 0.000 0.451 337 A N -1.709 121.040 122.820 -0.119 0.000 2.251 337 A HA 0.345 4.679 4.320 0.024 0.000 0.209 337 A C 1.109 178.760 177.584 0.113 0.000 1.187 337 A CA 0.922 52.971 52.037 0.020 0.000 0.823 337 A CB -0.349 18.710 19.000 0.098 0.000 0.846 337 A HN 1.131 nan 8.150 nan 0.000 0.486 338 Y N -1.986 118.333 120.300 0.033 0.000 2.830 338 Y HA 0.397 4.961 4.550 0.024 0.000 0.255 338 Y C 0.050 175.975 175.900 0.041 0.000 1.130 338 Y CA -0.438 57.696 58.100 0.058 0.000 1.217 338 Y CB -0.669 37.871 38.460 0.133 0.000 1.296 338 Y HN 0.082 nan 8.280 nan 0.000 0.571 339 T N -3.343 111.177 114.554 -0.056 0.000 2.916 339 T HA 0.499 4.864 4.350 0.024 0.000 0.292 339 T C -0.299 174.418 174.700 0.028 0.000 1.055 339 T CA -0.134 61.963 62.100 -0.005 0.000 1.009 339 T CB 1.875 70.698 68.868 -0.075 0.000 1.118 339 T HN 0.086 nan 8.240 nan 0.000 0.497 340 D N 0.640 121.070 120.400 0.050 0.000 3.079 340 D HA -0.173 4.482 4.640 0.024 0.000 0.214 340 D C 0.325 176.682 176.300 0.094 0.000 1.145 340 D CA 1.342 55.388 54.000 0.077 0.000 0.958 340 D CB -1.483 39.384 40.800 0.112 0.000 1.117 340 D HN 0.818 nan 8.370 nan 0.000 0.416 341 N N -1.375 117.368 118.700 0.072 0.000 2.714 341 N HA -0.242 4.512 4.740 0.024 0.000 0.250 341 N C 1.133 176.700 175.510 0.095 0.000 1.117 341 N CA 1.245 54.351 53.050 0.093 0.000 0.719 341 N CB -1.456 37.088 38.487 0.094 0.000 1.081 341 N HN 0.498 nan 8.380 nan 0.000 0.557 342 I N -0.264 120.301 120.570 -0.008 0.000 2.235 342 I HA -0.176 4.008 4.170 0.024 0.000 0.241 342 I C 2.350 178.172 176.117 -0.492 0.000 1.085 342 I CA 0.631 61.792 61.300 -0.231 0.000 1.378 342 I CB -0.121 37.666 38.000 -0.355 0.000 1.076 342 I HN 0.107 nan 8.210 nan 0.000 0.415 343 L N 1.323 122.372 121.223 -0.290 0.000 2.079 343 L HA -0.244 4.110 4.340 0.024 0.000 0.210 343 L C 1.696 178.565 176.870 -0.002 0.000 1.081 343 L CA 2.088 56.828 54.840 -0.167 0.000 0.752 343 L CB -0.866 41.179 42.059 -0.023 0.000 0.896 343 L HN 0.216 nan 8.230 nan 0.000 0.433 344 D N -0.658 119.779 120.400 0.061 0.000 2.104 344 D HA -0.242 4.413 4.640 0.024 0.000 0.194 344 D C 1.950 178.452 176.300 0.336 0.000 0.994 344 D CA 1.592 55.701 54.000 0.182 0.000 0.830 344 D CB -0.350 40.592 40.800 0.236 0.000 0.959 344 D HN 0.508 nan 8.370 nan 0.000 0.452 345 D N -0.414 120.166 120.400 0.300 0.000 2.104 345 D HA -0.167 4.488 4.640 0.024 0.000 0.194 345 D C 1.703 178.387 176.300 0.640 0.000 0.994 345 D CA 0.911 55.176 54.000 0.441 0.000 0.830 345 D CB 0.000 41.074 40.800 0.456 0.000 0.959 345 D HN 0.097 nan 8.370 nan 0.000 0.452 346 F N 1.161 121.343 119.950 0.387 0.000 2.186 346 F HA -0.052 4.492 4.527 0.027 0.000 0.299 346 F C 2.789 178.766 175.800 0.296 0.000 1.090 346 F CA 0.824 59.058 58.000 0.389 0.000 1.307 346 F CB -1.311 37.858 39.000 0.282 0.000 1.019 346 F HN -0.019 nan 8.300 nan 0.000 0.489 347 T N -1.243 113.551 114.554 0.400 0.000 2.896 347 T HA -0.135 4.229 4.350 0.024 0.000 0.263 347 T C 1.762 176.590 174.700 0.213 0.000 1.050 347 T CA 0.848 63.099 62.100 0.251 0.000 1.140 347 T CB -0.505 68.439 68.868 0.127 0.000 0.877 347 T HN 0.099 nan 8.240 nan 0.000 0.457 348 Y N 0.565 121.009 120.300 0.239 0.000 2.274 348 Y HA -0.008 4.556 4.550 0.023 0.000 0.290 348 Y C 2.015 177.982 175.900 0.112 0.000 1.145 348 Y CA 0.406 58.597 58.100 0.153 0.000 1.203 348 Y CB -0.612 37.919 38.460 0.118 0.000 0.984 348 Y HN 0.248 nan 8.280 nan 0.000 0.533 349 F N 0.113 120.140 119.950 0.129 0.000 2.102 349 F HA -0.072 4.467 4.527 0.020 0.000 0.298 349 F C 2.322 178.112 175.800 -0.017 0.000 1.105 349 F CA 1.751 59.680 58.000 -0.118 0.000 1.239 349 F CB -0.752 37.838 39.000 -0.683 0.000 0.991 349 F HN -0.043 nan 8.300 nan 0.000 0.474 350 G N 0.593 109.425 108.800 0.054 0.000 2.402 350 G HA2 -0.265 3.710 3.960 0.024 0.000 0.216 350 G HA3 -0.265 3.710 3.960 0.024 0.000 0.216 350 G C 1.796 176.769 174.900 0.122 0.000 1.162 350 G CA 0.756 45.889 45.100 0.056 0.000 0.777 350 G HN 0.283 nan 8.290 nan 0.000 0.539 351 K N 0.633 121.151 120.400 0.197 0.000 2.063 351 K HA -0.112 4.223 4.320 0.024 0.000 0.208 351 K C 2.282 178.903 176.600 0.035 0.000 1.048 351 K CA 1.302 57.684 56.287 0.159 0.000 0.928 351 K CB -0.233 32.281 32.500 0.023 0.000 0.713 351 K HN 0.199 nan 8.250 nan 0.000 0.442 352 E N -0.191 119.997 120.200 -0.020 0.000 2.077 352 E HA -0.202 4.162 4.350 0.024 0.000 0.193 352 E C 1.923 178.456 176.600 -0.111 0.000 0.989 352 E CA 0.983 57.340 56.400 -0.072 0.000 0.800 352 E CB -0.531 29.119 29.700 -0.083 0.000 0.746 352 E HN 0.409 nan 8.360 nan 0.000 0.452 353 Y N 1.346 121.436 120.300 -0.350 0.000 2.165 353 Y HA -0.235 4.323 4.550 0.013 0.000 0.286 353 Y C 2.244 178.087 175.900 -0.094 0.000 1.155 353 Y CA 1.388 59.306 58.100 -0.303 0.000 1.164 353 Y CB -0.181 38.008 38.460 -0.451 0.000 0.978 353 Y HN -0.185 nan 8.280 nan 0.000 0.513 354 V N 0.201 120.139 119.914 0.040 0.000 2.488 354 V HA -0.217 3.918 4.120 0.024 0.000 0.246 354 V C 2.253 178.369 176.094 0.037 0.000 1.046 354 V CA 2.010 64.374 62.300 0.106 0.000 1.053 354 V CB -0.515 31.446 31.823 0.229 0.000 0.679 354 V HN 0.419 nan 8.190 nan 0.000 0.458 355 E N 0.274 120.470 120.200 -0.006 0.000 2.110 355 E HA -0.294 4.071 4.350 0.024 0.000 0.193 355 E C 1.874 178.433 176.600 -0.068 0.000 0.988 355 E CA 1.681 58.065 56.400 -0.026 0.000 0.804 355 E CB -0.052 29.625 29.700 -0.039 0.000 0.745 355 E HN 0.763 nan 8.360 nan 0.000 0.458 356 D N -0.155 120.170 120.400 -0.126 0.000 2.137 356 D HA -0.148 4.506 4.640 0.024 0.000 0.202 356 D C 2.015 178.181 176.300 -0.224 0.000 0.970 356 D CA 1.165 55.072 54.000 -0.155 0.000 0.837 356 D CB 0.046 40.751 40.800 -0.157 0.000 0.981 356 D HN 0.021 nan 8.370 nan 0.000 0.475 357 K N -1.573 118.604 120.400 -0.371 0.000 2.021 357 K HA -0.112 4.222 4.320 0.024 0.000 0.205 357 K C 1.263 177.564 176.600 -0.497 0.000 1.047 357 K CA 1.143 57.094 56.287 -0.559 0.000 0.943 357 K CB -0.030 31.904 32.500 -0.942 0.000 0.725 357 K HN 0.248 nan 8.250 nan 0.000 0.439 358 Y N -0.856 119.356 120.300 -0.146 0.000 2.581 358 Y HA 0.310 4.879 4.550 0.032 0.000 0.271 358 Y C 0.597 176.460 175.900 -0.061 0.000 1.100 358 Y CA 0.287 58.337 58.100 -0.084 0.000 1.281 358 Y CB 1.048 39.474 38.460 -0.058 0.000 1.237 358 Y HN 0.252 nan 8.280 nan 0.000 0.514 359 G N 1.337 110.195 108.800 0.097 0.000 2.879 359 G HA2 -0.202 3.772 3.960 0.024 0.000 0.686 359 G HA3 -0.202 3.772 3.960 0.024 0.000 0.686 359 G C -0.671 174.269 174.900 0.067 0.000 1.115 359 G CA -0.796 44.337 45.100 0.055 0.000 0.770 359 G HN 0.207 nan 8.290 nan 0.000 0.601 360 L N 1.434 122.673 121.223 0.027 0.000 2.578 360 L HA 0.129 4.483 4.340 0.024 0.000 0.279 360 L C 1.982 178.863 176.870 0.017 0.000 1.227 360 L CA 0.514 55.366 54.840 0.020 0.000 0.900 360 L CB 0.052 42.095 42.059 -0.027 0.000 1.144 360 L HN 1.300 nan 8.230 nan 0.000 0.496 361 C N 1.496 120.806 119.300 0.016 0.000 4.320 361 C HA -0.167 4.307 4.460 0.024 0.000 0.281 361 C C 1.260 176.240 174.990 -0.018 0.000 1.432 361 C CA 0.942 59.955 59.018 -0.008 0.000 1.884 361 C CB -2.699 25.036 27.740 -0.009 0.000 1.378 361 C HN 0.957 nan 8.230 nan 0.000 0.771 362 E N -0.122 120.076 120.200 -0.004 0.000 2.624 362 E HA 0.461 4.825 4.350 0.024 0.000 0.210 362 E C 0.677 177.276 176.600 -0.002 0.000 0.997 362 E CA 0.425 56.830 56.400 0.008 0.000 0.999 362 E CB 0.528 30.252 29.700 0.040 0.000 1.040 362 E HN 0.731 nan 8.360 nan 0.000 0.469 363 A N 2.474 125.202 122.820 -0.152 0.000 2.340 363 A HA 0.401 4.735 4.320 0.024 0.000 0.268 363 A C -2.367 175.100 177.584 -0.196 0.000 1.100 363 A CA -1.429 50.390 52.037 -0.363 0.000 0.803 363 A CB 0.028 18.419 19.000 -1.015 0.000 1.043 363 A HN -0.110 nan 8.150 nan 0.000 0.488 364 P HA -0.011 nan 4.420 nan 0.000 0.264 364 P C -0.440 176.805 177.300 -0.092 0.000 1.183 364 P CA 0.239 63.298 63.100 -0.069 0.000 0.763 364 P CB 0.249 31.935 31.700 -0.024 0.000 0.807 365 N N 3.263 121.925 118.700 -0.062 0.000 2.968 365 N HA 0.077 4.831 4.740 0.024 0.000 0.271 365 N C -0.696 174.784 175.510 -0.049 0.000 1.174 365 N CA -0.188 52.831 53.050 -0.052 0.000 1.096 365 N CB -1.010 37.456 38.487 -0.035 0.000 1.403 365 N HN 0.374 nan 8.380 nan 0.000 0.522 366 N N 1.026 119.698 118.700 -0.047 0.000 3.106 366 N HA 0.145 4.899 4.740 0.024 0.000 0.253 366 N C 0.238 175.736 175.510 -0.021 0.000 1.506 366 N CA -0.741 52.276 53.050 -0.055 0.000 0.876 366 N CB 0.194 38.651 38.487 -0.051 0.000 1.452 366 N HN -0.017 nan 8.380 nan 0.000 0.542 367 M N 0.225 119.808 119.600 -0.028 0.000 2.279 367 M HA 0.032 4.527 4.480 0.024 0.000 0.264 367 M C 0.286 176.611 176.300 0.042 0.000 1.062 367 M CA 1.638 56.952 55.300 0.024 0.000 1.099 367 M CB -0.748 31.860 32.600 0.015 0.000 1.394 367 M HN 0.563 nan 8.290 nan 0.000 0.426 368 D N -0.825 119.594 120.400 0.033 0.000 2.117 368 D HA -0.135 4.520 4.640 0.024 0.000 0.197 368 D C 1.831 178.176 176.300 0.076 0.000 0.987 368 D CA 1.966 56.001 54.000 0.059 0.000 0.829 368 D CB -0.497 40.339 40.800 0.060 0.000 0.961 368 D HN 0.368 nan 8.370 nan 0.000 0.460 369 T N 0.604 115.180 114.554 0.036 0.000 2.821 369 T HA -0.077 4.288 4.350 0.024 0.000 0.267 369 T C 2.272 176.994 174.700 0.038 0.000 1.046 369 T CA 0.570 62.673 62.100 0.004 0.000 1.139 369 T CB -0.265 68.513 68.868 -0.149 0.000 0.871 369 T HN -0.031 nan 8.240 nan 0.000 0.454 370 V N 1.596 121.536 119.914 0.044 0.000 2.287 370 V HA -0.148 3.986 4.120 0.024 0.000 0.248 370 V C 2.486 178.618 176.094 0.063 0.000 1.053 370 V CA 1.579 63.917 62.300 0.063 0.000 1.027 370 V CB -0.683 31.202 31.823 0.103 0.000 0.646 370 V HN 0.434 nan 8.190 nan 0.000 0.447 371 L N -0.160 121.106 121.223 0.072 0.000 2.046 371 L HA -0.181 4.173 4.340 0.024 0.000 0.208 371 L C 2.505 179.412 176.870 0.063 0.000 1.077 371 L CA 1.969 56.847 54.840 0.063 0.000 0.747 371 L CB -0.722 41.380 42.059 0.073 0.000 0.896 371 L HN 0.451 nan 8.230 nan 0.000 0.432 372 D N 0.165 120.634 120.400 0.116 0.000 2.077 372 D HA -0.155 4.499 4.640 0.024 0.000 0.193 372 D C 2.096 178.492 176.300 0.160 0.000 0.989 372 D CA 1.731 55.835 54.000 0.175 0.000 0.831 372 D CB 0.212 41.185 40.800 0.288 0.000 0.979 372 D HN 0.093 nan 8.370 nan 0.000 0.449 373 V N 1.394 121.425 119.914 0.196 0.000 2.379 373 V HA -0.115 4.020 4.120 0.024 0.000 0.245 373 V C 2.680 178.785 176.094 0.018 0.000 1.044 373 V CA 1.642 64.052 62.300 0.183 0.000 1.036 373 V CB -0.717 31.233 31.823 0.211 0.000 0.664 373 V HN 0.295 nan 8.190 nan 0.000 0.453 374 A N -0.330 122.485 122.820 -0.007 0.000 1.968 374 A HA -0.161 4.173 4.320 0.024 0.000 0.217 374 A C 2.370 179.849 177.584 -0.176 0.000 1.169 374 A CA 2.191 54.187 52.037 -0.067 0.000 0.638 374 A CB -0.739 18.230 19.000 -0.052 0.000 0.812 374 A HN 0.488 nan 8.150 nan 0.000 0.446 375 T N -0.537 113.888 114.554 -0.215 0.000 2.812 375 T HA -0.092 4.273 4.350 0.024 0.000 0.264 375 T C 1.906 176.270 174.700 -0.559 0.000 1.042 375 T CA 1.610 63.414 62.100 -0.494 0.000 1.140 375 T CB -0.155 68.507 68.868 -0.344 0.000 0.870 375 T HN 0.618 nan 8.240 nan 0.000 0.445 376 E N 0.919 120.959 120.200 -0.267 0.000 2.077 376 E HA -0.093 4.271 4.350 0.024 0.000 0.193 376 E C 2.026 178.578 176.600 -0.080 0.000 0.989 376 E CA 0.944 57.229 56.400 -0.192 0.000 0.800 376 E CB -0.428 28.991 29.700 -0.469 0.000 0.746 376 E HN 0.254 nan 8.360 nan 0.000 0.452 377 V N 0.034 119.906 119.914 -0.071 0.000 2.591 377 V HA -0.172 3.962 4.120 0.024 0.000 0.249 377 V C 2.207 178.271 176.094 -0.049 0.000 1.053 377 V CA 1.931 64.275 62.300 0.074 0.000 1.068 377 V CB -0.595 31.285 31.823 0.096 0.000 0.689 377 V HN 0.330 nan 8.190 nan 0.000 0.462 378 T N 0.475 114.924 114.554 -0.176 0.000 2.746 378 T HA -0.123 4.242 4.350 0.024 0.000 0.267 378 T C 1.691 176.311 174.700 -0.133 0.000 1.039 378 T CA 1.561 63.533 62.100 -0.214 0.000 1.142 378 T CB -0.333 68.343 68.868 -0.321 0.000 0.866 378 T HN 0.333 nan 8.240 nan 0.000 0.444 379 F N 0.331 120.197 119.950 -0.140 0.000 2.186 379 F HA 0.087 4.623 4.527 0.015 0.000 0.299 379 F C 2.118 177.775 175.800 -0.238 0.000 1.090 379 F CA -0.401 57.497 58.000 -0.171 0.000 1.307 379 F CB -1.300 37.636 39.000 -0.106 0.000 1.019 379 F HN 0.201 nan 8.300 nan 0.000 0.489 380 Y N 0.764 120.929 120.300 -0.225 0.000 2.097 380 Y HA -0.118 4.446 4.550 0.022 0.000 0.282 380 Y C 2.552 178.090 175.900 -0.603 0.000 1.152 380 Y CA 1.840 59.623 58.100 -0.529 0.000 1.136 380 Y CB -0.882 36.940 38.460 -1.063 0.000 0.975 380 Y HN 0.004 nan 8.280 nan 0.000 0.498 381 G N 0.283 108.678 108.800 -0.675 0.000 2.404 381 G HA2 -0.215 3.759 3.960 0.024 0.000 0.215 381 G HA3 -0.215 3.759 3.960 0.024 0.000 0.215 381 G C 1.687 176.102 174.900 -0.808 0.000 1.174 381 G CA 1.119 45.364 45.100 -1.425 0.000 0.780 381 G HN 0.455 nan 8.290 nan 0.000 0.537 382 L N 0.266 121.271 121.223 -0.363 0.000 2.083 382 L HA -0.072 4.282 4.340 0.024 0.000 0.209 382 L C 2.736 179.547 176.870 -0.098 0.000 1.083 382 L CA 1.604 56.372 54.840 -0.119 0.000 0.752 382 L CB -0.349 41.576 42.059 -0.223 0.000 0.899 382 L HN 0.373 nan 8.230 nan 0.000 0.433 383 E N -0.445 119.617 120.200 -0.230 0.000 2.268 383 E HA -0.212 4.153 4.350 0.024 0.000 0.195 383 E C 2.101 178.571 176.600 -0.217 0.000 0.995 383 E CA 0.538 56.822 56.400 -0.193 0.000 0.836 383 E CB 0.235 29.799 29.700 -0.227 0.000 0.763 383 E HN 0.431 nan 8.360 nan 0.000 0.491 384 Q N -0.387 119.193 119.800 -0.367 0.000 2.079 384 Q HA -0.168 4.186 4.340 0.024 0.000 0.200 384 Q C 1.758 177.711 176.000 -0.079 0.000 0.974 384 Q CA 1.273 56.973 55.803 -0.170 0.000 0.840 384 Q CB -0.574 28.034 28.738 -0.217 0.000 0.898 384 Q HN 0.500 nan 8.270 nan 0.000 0.430 385 Y N 1.397 121.692 120.300 -0.007 0.000 2.352 385 Y HA -0.111 4.453 4.550 0.023 0.000 0.292 385 Y C 2.116 178.015 175.900 -0.001 0.000 1.136 385 Y CA 0.959 59.069 58.100 0.017 0.000 1.227 385 Y CB -0.107 38.366 38.460 0.023 0.000 0.991 385 Y HN 0.250 nan 8.280 nan 0.000 0.545 386 E N -0.295 119.972 120.200 0.112 0.000 2.158 386 E HA -0.120 4.244 4.350 0.024 0.000 0.191 386 E C 1.806 178.377 176.600 -0.048 0.000 0.982 386 E CA 0.827 57.242 56.400 0.023 0.000 0.823 386 E CB 0.013 29.723 29.700 0.016 0.000 0.766 386 E HN 0.497 nan 8.360 nan 0.000 0.468 387 E N -0.107 120.031 120.200 -0.103 0.000 2.299 387 E HA -0.041 4.324 4.350 0.024 0.000 0.193 387 E C -0.227 176.103 176.600 -0.450 0.000 0.998 387 E CA 0.591 56.807 56.400 -0.306 0.000 0.851 387 E CB 0.345 29.795 29.700 -0.417 0.000 0.795 387 E HN 0.267 nan 8.360 nan 0.000 0.492 388 Y N 0.076 120.389 120.300 0.021 0.000 2.646 388 Y HA 0.237 4.801 4.550 0.023 0.000 0.334 388 Y C -1.841 174.078 175.900 0.032 0.000 1.004 388 Y CA -2.534 55.595 58.100 0.048 0.000 1.301 388 Y CB 1.572 40.088 38.460 0.094 0.000 1.093 388 Y HN -0.071 nan 8.280 nan 0.000 0.530 389 P HA -0.255 nan 4.420 nan 0.000 0.216 389 P C 1.373 178.706 177.300 0.054 0.000 1.150 389 P CA 2.208 65.339 63.100 0.052 0.000 0.843 389 P CB 0.424 32.116 31.700 -0.014 0.000 0.787 390 A N -1.132 121.736 122.820 0.081 0.000 2.015 390 A HA -0.145 4.189 4.320 0.024 0.000 0.219 390 A C 2.083 179.812 177.584 0.242 0.000 1.163 390 A CA 1.130 53.209 52.037 0.071 0.000 0.646 390 A CB -1.511 17.620 19.000 0.218 0.000 0.806 390 A HN 0.155 nan 8.150 nan 0.000 0.448 391 L N -0.881 120.460 121.223 0.196 0.000 2.056 391 L HA -0.062 4.292 4.340 0.024 0.000 0.207 391 L C 2.197 179.226 176.870 0.265 0.000 1.078 391 L CA 1.760 56.666 54.840 0.111 0.000 0.749 391 L CB -0.460 41.502 42.059 -0.162 0.000 0.901 391 L HN 0.345 nan 8.230 nan 0.000 0.433 392 L N -0.314 121.079 121.223 0.283 0.000 2.093 392 L HA -0.180 4.175 4.340 0.024 0.000 0.208 392 L C 2.432 179.400 176.870 0.163 0.000 1.085 392 L CA 2.001 56.973 54.840 0.220 0.000 0.755 392 L CB -0.691 41.451 42.059 0.138 0.000 0.904 392 L HN 0.530 nan 8.230 nan 0.000 0.435 393 E N -1.187 119.109 120.200 0.161 0.000 2.208 393 E HA -0.236 4.128 4.350 0.024 0.000 0.193 393 E C 1.732 178.545 176.600 0.355 0.000 0.988 393 E CA 0.959 57.472 56.400 0.188 0.000 0.828 393 E CB -0.034 29.685 29.700 0.033 0.000 0.763 393 E HN 0.608 nan 8.360 nan 0.000 0.478 394 D N 0.637 121.261 120.400 0.374 0.000 2.077 394 D HA -0.138 4.516 4.640 0.024 0.000 0.196 394 D C 0.455 176.946 176.300 0.319 0.000 0.986 394 D CA 1.078 55.306 54.000 0.379 0.000 0.829 394 D CB 0.058 41.035 40.800 0.294 0.000 0.983 394 D HN 0.130 nan 8.370 nan 0.000 0.453 395 Q N 0.485 120.402 119.800 0.195 0.000 3.006 395 Q HA 0.142 4.497 4.340 0.024 0.000 0.260 395 Q C 0.323 176.276 176.000 -0.078 0.000 1.356 395 Q CA -0.416 55.384 55.803 -0.005 0.000 1.070 395 Q CB -0.023 28.753 28.738 0.064 0.000 1.507 395 Q HN 0.460 nan 8.270 nan 0.000 0.568 396 F N -1.125 118.837 119.950 0.020 0.000 2.325 396 F HA 0.189 4.731 4.527 0.024 0.000 0.299 396 F C 1.035 176.807 175.800 -0.047 0.000 1.090 396 F CA -0.394 57.598 58.000 -0.013 0.000 1.392 396 F CB -0.197 38.812 39.000 0.015 0.000 1.053 396 F HN 0.123 nan 8.300 nan 0.000 0.521 397 G N 0.283 108.874 108.800 -0.349 0.000 2.372 397 G HA2 0.407 4.381 3.960 0.024 0.000 0.283 397 G HA3 0.407 4.381 3.960 0.024 0.000 0.283 397 G C 0.993 175.810 174.900 -0.139 0.000 1.177 397 G CA -0.246 44.760 45.100 -0.157 0.000 0.842 397 G HN 0.385 nan 8.290 nan 0.000 0.503 398 G N 1.504 110.256 108.800 -0.081 0.000 2.442 398 G HA2 -0.115 3.859 3.960 0.024 0.000 0.219 398 G HA3 -0.115 3.859 3.960 0.024 0.000 0.219 398 G C 1.288 176.025 174.900 -0.272 0.000 1.141 398 G CA 1.117 46.127 45.100 -0.149 0.000 0.763 398 G HN 0.660 nan 8.290 nan 0.000 0.554 402 A N 1.760 124.533 122.820 -0.079 0.000 1.883 402 A HA -0.036 4.298 4.320 0.024 0.000 0.217 402 A C 2.231 179.669 177.584 -0.242 0.000 1.186 402 A CA 2.245 54.141 52.037 -0.236 0.000 0.624 402 A CB -0.591 18.004 19.000 -0.675 0.000 0.822 402 A HN 0.392 nan 8.150 nan 0.000 0.444 403 A N -0.856 121.871 122.820 -0.156 0.000 1.898 403 A HA 0.053 4.387 4.320 0.024 0.000 0.216 403 A C 2.242 179.843 177.584 0.028 0.000 1.181 403 A CA 1.727 53.741 52.037 -0.039 0.000 0.620 403 A CB -0.812 18.243 19.000 0.092 0.000 0.819 403 A HN 0.374 nan 8.150 nan 0.000 0.442 404 V N -0.599 119.360 119.914 0.074 0.000 2.323 404 V HA -0.185 3.950 4.120 0.024 0.000 0.244 404 V C 2.568 178.811 176.094 0.248 0.000 1.041 404 V CA 1.870 64.261 62.300 0.151 0.000 1.025 404 V CB -0.557 31.354 31.823 0.146 0.000 0.656 404 V HN 0.358 nan 8.190 nan 0.000 0.451 405 V N 0.267 120.335 119.914 0.256 0.000 2.307 405 V HA -0.203 3.932 4.120 0.024 0.000 0.245 405 V C 2.655 178.760 176.094 0.019 0.000 1.045 405 V CA 1.998 64.424 62.300 0.210 0.000 1.024 405 V CB -0.951 30.940 31.823 0.115 0.000 0.651 405 V HN 0.549 nan 8.190 nan 0.000 0.449 406 A N -0.273 122.423 122.820 -0.206 0.000 2.014 406 A HA 0.013 4.347 4.320 0.024 0.000 0.218 406 A C 2.381 179.936 177.584 -0.048 0.000 1.163 406 A CA 1.688 53.457 52.037 -0.447 0.000 0.652 406 A CB -0.578 17.582 19.000 -1.400 0.000 0.808 406 A HN 0.540 nan 8.150 nan 0.000 0.449 407 A N 0.109 123.031 122.820 0.169 0.000 1.877 407 A HA 0.158 4.493 4.320 0.024 0.000 0.216 407 A C 2.496 180.171 177.584 0.151 0.000 1.186 407 A CA 1.997 54.225 52.037 0.318 0.000 0.620 407 A CB -1.003 18.152 19.000 0.258 0.000 0.822 407 A HN 1.012 nan 8.150 nan 0.000 0.443 408 A N -0.207 122.710 122.820 0.161 0.000 1.933 408 A HA 0.168 4.503 4.320 0.024 0.000 0.218 408 A C 2.484 180.116 177.584 0.080 0.000 1.175 408 A CA 2.065 54.196 52.037 0.157 0.000 0.628 408 A CB -0.945 18.245 19.000 0.317 0.000 0.814 408 A HN 1.033 nan 8.150 nan 0.000 0.444 409 A N -0.546 122.306 122.820 0.053 0.000 1.898 409 A HA 0.158 4.492 4.320 0.024 0.000 0.216 409 A C 2.384 179.959 177.584 -0.015 0.000 1.181 409 A CA 1.877 53.914 52.037 0.000 0.000 0.620 409 A CB -1.276 17.689 19.000 -0.058 0.000 0.819 409 A HN 0.676 nan 8.150 nan 0.000 0.442 410 G N -1.026 107.787 108.800 0.023 0.000 2.394 410 G HA2 -0.203 3.771 3.960 0.024 0.000 0.214 410 G HA3 -0.203 3.771 3.960 0.024 0.000 0.214 410 G C 1.590 176.413 174.900 -0.130 0.000 1.176 410 G CA 1.222 46.328 45.100 0.010 0.000 0.786 410 G HN 0.504 nan 8.290 nan 0.000 0.533 411 C N 0.841 120.024 119.300 -0.195 0.000 2.413 411 C HA -0.030 4.445 4.460 0.024 0.000 0.276 411 C C 3.410 177.898 174.990 -0.838 0.000 1.236 411 C CA 1.390 60.097 59.018 -0.518 0.000 1.735 411 C CB -0.852 26.597 27.740 -0.485 0.000 2.031 411 C HN 0.407 nan 8.230 nan 0.000 0.474 412 S N 0.250 115.692 115.700 -0.430 0.000 2.382 412 S HA -0.166 4.318 4.470 0.024 0.000 0.228 412 S C 1.870 176.425 174.600 -0.076 0.000 1.027 412 S CA 1.950 60.049 58.200 -0.168 0.000 0.991 412 S CB -0.559 62.682 63.200 0.068 0.000 0.823 412 S HN 0.715 nan 8.310 nan 0.000 0.469 413 T N 2.364 116.867 114.554 -0.085 0.000 2.708 413 T HA -0.061 4.304 4.350 0.024 0.000 0.266 413 T C 2.121 176.776 174.700 -0.075 0.000 1.037 413 T CA 1.321 63.395 62.100 -0.044 0.000 1.146 413 T CB -0.473 68.379 68.868 -0.028 0.000 0.865 413 T HN 0.476 nan 8.240 nan 0.000 0.435 414 A N 0.832 123.564 122.820 -0.148 0.000 2.015 414 A HA 0.054 4.389 4.320 0.024 0.000 0.219 414 A C 1.835 179.401 177.584 -0.031 0.000 1.163 414 A CA 0.987 52.949 52.037 -0.126 0.000 0.646 414 A CB -0.817 18.073 19.000 -0.183 0.000 0.806 414 A HN 0.430 nan 8.150 nan 0.000 0.448 415 F N 0.183 120.112 119.950 -0.035 0.000 2.269 415 F HA -0.038 4.502 4.527 0.021 0.000 0.301 415 F C 2.617 178.390 175.800 -0.046 0.000 1.082 415 F CA 0.216 58.197 58.000 -0.033 0.000 1.360 415 F CB -0.944 38.051 39.000 -0.008 0.000 1.041 415 F HN 0.289 nan 8.300 nan 0.000 0.512 416 A N -0.189 122.694 122.820 0.105 0.000 1.874 416 A HA -0.107 4.228 4.320 0.024 0.000 0.214 416 A C 2.248 179.762 177.584 -0.118 0.000 1.189 416 A CA 1.965 53.971 52.037 -0.052 0.000 0.615 416 A CB -1.186 17.715 19.000 -0.165 0.000 0.830 416 A HN 0.369 nan 8.150 nan 0.000 0.443 417 T N -4.439 110.057 114.554 -0.097 0.000 3.054 417 T HA 0.363 4.728 4.350 0.024 0.000 0.259 417 T C 1.488 176.148 174.700 -0.066 0.000 1.092 417 T CA 1.197 63.239 62.100 -0.096 0.000 1.121 417 T CB -0.112 68.709 68.868 -0.077 0.000 0.912 417 T HN 1.707 nan 8.240 nan 0.000 0.489 418 G N 1.597 110.367 108.800 -0.051 0.000 2.168 418 G HA2 -0.256 3.718 3.960 0.024 0.000 0.257 418 G HA3 -0.256 3.718 3.960 0.024 0.000 0.257 418 G C -0.088 174.737 174.900 -0.126 0.000 0.997 418 G CA 0.238 45.291 45.100 -0.077 0.000 0.708 418 G HN 0.833 nan 8.290 nan 0.000 0.520 419 N N -0.611 118.026 118.700 -0.104 0.000 2.397 419 N HA 0.566 5.320 4.740 0.024 0.000 0.291 419 N C 1.018 176.478 175.510 -0.082 0.000 1.065 419 N CA 0.289 53.286 53.050 -0.089 0.000 0.884 419 N CB 1.536 40.006 38.487 -0.030 0.000 1.551 419 N HN 0.336 nan 8.380 nan 0.000 0.487 420 A N 2.796 125.559 122.820 -0.095 0.000 2.015 420 A HA -0.127 4.207 4.320 0.024 0.000 0.219 420 A C 1.785 179.315 177.584 -0.089 0.000 1.163 420 A CA 1.303 53.284 52.037 -0.093 0.000 0.646 420 A CB -0.133 18.828 19.000 -0.066 0.000 0.806 420 A HN 0.722 nan 8.150 nan 0.000 0.448 421 Q N -0.076 119.696 119.800 -0.047 0.000 2.079 421 Q HA -0.110 4.244 4.340 0.024 0.000 0.200 421 Q C 2.227 178.209 176.000 -0.030 0.000 0.974 421 Q CA 2.393 58.153 55.803 -0.073 0.000 0.840 421 Q CB -0.538 28.222 28.738 0.038 0.000 0.898 421 Q HN 0.771 nan 8.270 nan 0.000 0.430 422 T N -3.204 111.419 114.554 0.115 0.000 2.867 422 T HA -0.029 4.335 4.350 0.024 0.000 0.268 422 T C 1.856 176.579 174.700 0.038 0.000 1.057 422 T CA 0.928 63.122 62.100 0.157 0.000 1.136 422 T CB -0.741 68.208 68.868 0.135 0.000 0.874 422 T HN 0.339 nan 8.240 nan 0.000 0.466 423 G N 1.593 110.373 108.800 -0.032 0.000 2.442 423 G HA2 -0.114 3.861 3.960 0.024 0.000 0.219 423 G HA3 -0.114 3.861 3.960 0.024 0.000 0.219 423 G C 1.426 176.286 174.900 -0.066 0.000 1.141 423 G CA 0.909 45.970 45.100 -0.065 0.000 0.763 423 G HN 0.469 nan 8.290 nan 0.000 0.554 424 L N 0.856 122.004 121.223 -0.124 0.000 2.056 424 L HA 0.070 4.425 4.340 0.024 0.000 0.207 424 L C 2.854 179.670 176.870 -0.090 0.000 1.078 424 L CA 2.322 57.044 54.840 -0.197 0.000 0.749 424 L CB -0.685 41.199 42.059 -0.291 0.000 0.901 424 L HN 0.207 nan 8.230 nan 0.000 0.433 425 S N -0.684 115.001 115.700 -0.025 0.000 2.399 425 S HA -0.120 4.364 4.470 0.024 0.000 0.231 425 S C 1.995 176.663 174.600 0.113 0.000 1.022 425 S CA 1.162 59.431 58.200 0.116 0.000 0.983 425 S CB -0.735 62.588 63.200 0.204 0.000 0.803 425 S HN 0.676 nan 8.310 nan 0.000 0.480 426 G N 0.693 109.528 108.800 0.060 0.000 2.422 426 G HA2 -0.205 3.769 3.960 0.024 0.000 0.218 426 G HA3 -0.205 3.769 3.960 0.024 0.000 0.218 426 G C 1.310 176.203 174.900 -0.011 0.000 1.140 426 G CA 0.753 45.868 45.100 0.025 0.000 0.775 426 G HN 0.659 nan 8.290 nan 0.000 0.545 427 W N 0.893 122.057 121.300 -0.228 0.000 2.335 427 W HA -0.154 4.520 4.660 0.024 0.000 0.311 427 W C 1.930 178.232 176.519 -0.363 0.000 1.213 427 W CA 1.366 58.524 57.345 -0.311 0.000 1.274 427 W CB -0.590 28.621 29.460 -0.415 0.000 1.148 427 W HN 0.336 nan 8.180 nan 0.000 0.498 428 Y N 0.645 120.990 120.300 0.076 0.000 2.200 428 Y HA -0.207 4.357 4.550 0.023 0.000 0.290 428 Y C 2.571 178.069 175.900 -0.669 0.000 1.137 428 Y CA 1.585 59.513 58.100 -0.285 0.000 1.163 428 Y CB -1.625 36.757 38.460 -0.130 0.000 0.988 428 Y HN -0.082 nan 8.280 nan 0.000 0.518 429 L N -0.625 120.499 121.223 -0.166 0.000 2.079 429 L HA -0.203 4.151 4.340 0.024 0.000 0.210 429 L C 2.565 179.338 176.870 -0.162 0.000 1.081 429 L CA 2.025 56.813 54.840 -0.087 0.000 0.752 429 L CB -1.161 40.919 42.059 0.035 0.000 0.896 429 L HN 0.211 nan 8.230 nan 0.000 0.433 430 S N -1.114 114.450 115.700 -0.227 0.000 2.359 430 S HA -0.224 4.261 4.470 0.024 0.000 0.224 430 S C 2.072 176.541 174.600 -0.218 0.000 1.035 430 S CA 1.750 59.811 58.200 -0.232 0.000 1.018 430 S CB -0.191 62.835 63.200 -0.290 0.000 0.876 430 S HN 0.469 nan 8.310 nan 0.000 0.448 431 M N 0.256 119.633 119.600 -0.372 0.000 2.108 431 M HA -0.091 4.403 4.480 0.024 0.000 0.261 431 M C 1.998 178.257 176.300 -0.069 0.000 1.066 431 M CA 1.559 56.693 55.300 -0.278 0.000 1.107 431 M CB -1.808 30.606 32.600 -0.310 0.000 1.356 431 M HN 0.435 nan 8.290 nan 0.000 0.406 432 Y N 0.331 120.643 120.300 0.018 0.000 2.242 432 Y HA -0.045 4.518 4.550 0.022 0.000 0.291 432 Y C 2.464 178.387 175.900 0.039 0.000 1.137 432 Y CA 0.631 58.752 58.100 0.035 0.000 1.181 432 Y CB -1.376 37.114 38.460 0.050 0.000 0.989 432 Y HN 0.155 nan 8.280 nan 0.000 0.527 433 L N -1.145 120.179 121.223 0.168 0.000 2.056 433 L HA -0.234 4.121 4.340 0.024 0.000 0.207 433 L C 2.487 179.446 176.870 0.147 0.000 1.078 433 L CA 1.777 56.698 54.840 0.135 0.000 0.749 433 L CB -0.716 41.352 42.059 0.016 0.000 0.901 433 L HN 0.330 nan 8.230 nan 0.000 0.433 434 H N 0.488 119.538 119.070 -0.034 0.000 2.321 434 H HA -0.236 4.335 4.556 0.024 0.000 0.300 434 H C 2.452 177.747 175.328 -0.054 0.000 1.087 434 H CA 1.782 57.776 56.048 -0.090 0.000 1.319 434 H CB 0.265 29.951 29.762 -0.127 0.000 1.379 434 H HN 0.145 nan 8.280 nan 0.000 0.501 435 K N 0.209 120.683 120.400 0.123 0.000 2.063 435 K HA -0.169 4.165 4.320 0.024 0.000 0.208 435 K C 1.892 178.551 176.600 0.098 0.000 1.048 435 K CA 1.830 58.160 56.287 0.072 0.000 0.928 435 K CB 0.149 32.692 32.500 0.071 0.000 0.713 435 K HN 0.334 nan 8.250 nan 0.000 0.442 436 E N 0.558 120.821 120.200 0.105 0.000 2.152 436 E HA -0.196 4.168 4.350 0.024 0.000 0.192 436 E C 1.961 178.604 176.600 0.072 0.000 0.983 436 E CA 0.964 57.415 56.400 0.084 0.000 0.818 436 E CB -0.100 29.651 29.700 0.085 0.000 0.758 436 E HN 0.517 nan 8.360 nan 0.000 0.467 437 Q N 0.141 119.972 119.800 0.051 0.000 2.046 437 Q HA -0.138 4.217 4.340 0.024 0.000 0.200 437 Q C 1.196 177.232 176.000 0.059 0.000 0.975 437 Q CA 1.492 57.276 55.803 -0.033 0.000 0.836 437 Q CB -0.019 28.599 28.738 -0.199 0.000 0.896 437 Q HN 0.481 nan 8.270 nan 0.000 0.428 438 H N -1.507 117.612 119.070 0.082 0.000 2.652 438 H HA 0.237 4.808 4.556 0.025 0.000 0.274 438 H C 0.135 175.488 175.328 0.041 0.000 1.021 438 H CA 0.112 56.193 56.048 0.055 0.000 1.187 438 H CB 0.906 30.711 29.762 0.072 0.000 1.505 438 H HN 0.164 nan 8.280 nan 0.000 0.530 439 S N 0.798 116.588 115.700 0.150 0.000 3.581 439 S HA -0.216 4.268 4.470 0.024 0.000 0.354 439 S C 0.017 174.653 174.600 0.061 0.000 1.059 439 S CA 1.057 59.306 58.200 0.083 0.000 1.060 439 S CB -0.939 62.295 63.200 0.056 0.000 0.908 439 S HN 0.807 nan 8.310 nan 0.000 0.475 440 R N -1.946 118.598 120.500 0.073 0.000 2.765 440 R HA 0.719 5.073 4.340 0.024 0.000 0.277 440 R C -0.625 175.646 176.300 -0.047 0.000 1.028 440 R CA -0.881 55.225 56.100 0.011 0.000 0.860 440 R CB 0.187 30.495 30.300 0.015 0.000 1.270 440 R HN 0.208 nan 8.270 nan 0.000 0.484 441 L N -0.749 120.385 121.223 -0.149 0.000 3.878 441 L HA 0.690 5.044 4.340 0.024 0.000 0.207 441 L C 0.294 176.926 176.870 -0.397 0.000 1.209 441 L CA 0.977 55.598 54.840 -0.365 0.000 1.453 441 L CB 0.640 42.540 42.059 -0.266 0.000 1.818 441 L HN 0.884 nan 8.230 nan 0.000 0.806 442 G N -1.164 107.411 108.800 -0.375 0.000 3.122 442 G HA2 0.362 4.337 3.960 0.024 0.000 0.180 442 G HA3 0.362 4.337 3.960 0.024 0.000 0.180 442 G C -0.670 174.169 174.900 -0.101 0.000 1.279 442 G CA -0.036 44.814 45.100 -0.416 0.000 0.987 442 G HN 0.426 nan 8.290 nan 0.000 0.589 443 F N -0.994 118.992 119.950 0.059 0.000 2.408 443 F HA 0.605 5.146 4.527 0.024 0.000 0.303 443 F C 0.625 176.557 175.800 0.219 0.000 1.268 443 F CA -1.692 56.399 58.000 0.151 0.000 1.218 443 F CB -0.005 39.118 39.000 0.205 0.000 1.283 443 F HN 0.442 nan 8.300 nan 0.000 0.545 447 D N 2.520 122.885 120.400 -0.058 0.000 2.722 447 D HA 0.082 4.736 4.640 0.024 0.000 0.239 447 D C 1.493 177.801 176.300 0.014 0.000 1.249 447 D CA 0.122 54.151 54.000 0.048 0.000 0.830 447 D CB 0.195 41.102 40.800 0.178 0.000 1.025 447 D HN 0.607 nan 8.370 nan 0.000 0.486 448 L N 0.772 121.960 121.223 -0.058 0.000 1.976 448 L HA -0.258 4.097 4.340 0.024 0.000 0.209 448 L C 2.574 179.446 176.870 0.003 0.000 1.071 448 L CA 1.803 56.627 54.840 -0.028 0.000 0.746 448 L CB -0.301 41.731 42.059 -0.044 0.000 0.890 448 L HN 0.067 nan 8.230 nan 0.000 0.432 449 Q N -0.736 119.062 119.800 -0.004 0.000 2.167 449 Q HA -0.213 4.141 4.340 0.024 0.000 0.202 449 Q C 1.442 177.535 176.000 0.155 0.000 0.970 449 Q CA 1.640 57.515 55.803 0.119 0.000 0.855 449 Q CB -0.703 28.178 28.738 0.239 0.000 0.911 449 Q HN 0.636 nan 8.270 nan 0.000 0.438 450 D N 1.087 121.623 120.400 0.226 0.000 2.149 450 D HA -0.144 4.511 4.640 0.024 0.000 0.198 450 D C 0.807 177.243 176.300 0.228 0.000 0.990 450 D CA 1.089 55.274 54.000 0.309 0.000 0.839 450 D CB -0.020 41.066 40.800 0.476 0.000 0.948 450 D HN 0.197 nan 8.370 nan 0.000 0.460 454 A N 1.067 123.780 122.820 -0.178 0.000 1.892 454 A HA 0.001 4.335 4.320 0.024 0.000 0.218 454 A C 2.554 180.172 177.584 0.058 0.000 1.188 454 A CA 3.134 55.231 52.037 0.100 0.000 0.631 454 A CB -0.934 18.251 19.000 0.309 0.000 0.822 454 A HN 1.008 nan 8.150 nan 0.000 0.447 455 S N -0.251 115.465 115.700 0.026 0.000 2.382 455 S HA -0.147 4.337 4.470 0.024 0.000 0.228 455 S C 1.667 176.278 174.600 0.019 0.000 1.027 455 S CA 1.514 59.736 58.200 0.038 0.000 0.991 455 S CB -0.489 62.718 63.200 0.013 0.000 0.823 455 S HN 0.629 nan 8.310 nan 0.000 0.469 456 N N 0.835 119.514 118.700 -0.035 0.000 2.461 456 N HA 0.105 4.859 4.740 0.024 0.000 0.188 456 N C 1.360 176.830 175.510 -0.068 0.000 1.134 456 N CA 0.267 53.305 53.050 -0.019 0.000 0.878 456 N CB -0.044 38.450 38.487 0.012 0.000 0.972 456 N HN 0.241 nan 8.380 nan 0.000 0.456 457 V N -0.217 119.607 119.914 -0.150 0.000 2.358 457 V HA -0.139 3.995 4.120 0.024 0.000 0.246 457 V C 0.958 176.751 176.094 -0.500 0.000 1.047 457 V CA 1.482 63.545 62.300 -0.395 0.000 1.035 457 V CB -0.385 31.020 31.823 -0.697 0.000 0.658 457 V HN 0.157 nan 8.190 nan 0.000 0.452 458 F N -0.711 119.256 119.950 0.029 0.000 2.654 458 F HA 0.384 4.925 4.527 0.023 0.000 0.303 458 F C 1.276 177.083 175.800 0.010 0.000 1.099 458 F CA -0.217 57.792 58.000 0.015 0.000 1.270 458 F CB -0.050 38.962 39.000 0.020 0.000 1.024 458 F HN -0.050 nan 8.300 nan 0.000 0.548 459 S N 1.187 116.956 115.700 0.114 0.000 2.584 459 S HA 0.212 4.696 4.470 0.024 0.000 0.270 459 S C 0.957 175.593 174.600 0.061 0.000 1.346 459 S CA -0.265 57.981 58.200 0.077 0.000 1.018 459 S CB 0.487 63.711 63.200 0.040 0.000 0.899 459 S HN 0.294 nan 8.310 nan 0.000 0.542 460 I N 0.675 121.273 120.570 0.046 0.000 4.081 460 I HA 0.451 4.636 4.170 0.024 0.000 0.333 460 I C 0.594 176.721 176.117 0.016 0.000 1.413 460 I CA -0.319 61.000 61.300 0.032 0.000 1.110 460 I CB -0.303 37.717 38.000 0.034 0.000 1.082 460 I HN 0.334 nan 8.210 nan 0.000 0.402 461 R N 1.226 121.731 120.500 0.008 0.000 2.637 461 R HA 0.415 4.769 4.340 0.024 0.000 0.269 461 R C 1.575 177.863 176.300 -0.020 0.000 1.089 461 R CA 0.289 56.384 56.100 -0.007 0.000 1.177 461 R CB 0.352 30.643 30.300 -0.015 0.000 1.091 461 R HN 0.280 nan 8.270 nan 0.000 0.540 462 G N 1.476 110.260 108.800 -0.028 0.000 2.649 462 G HA2 -0.346 3.628 3.960 0.024 0.000 0.220 462 G HA3 -0.346 3.628 3.960 0.024 0.000 0.220 462 G C 0.733 175.598 174.900 -0.058 0.000 1.189 462 G CA 1.603 46.681 45.100 -0.037 0.000 0.777 462 G HN 0.811 nan 8.290 nan 0.000 0.602 463 D N -0.525 119.822 120.400 -0.089 0.000 2.388 463 D HA 0.175 4.829 4.640 0.024 0.000 0.221 463 D C 1.396 177.566 176.300 -0.216 0.000 1.133 463 D CA 0.139 54.043 54.000 -0.160 0.000 0.831 463 D CB 0.178 40.866 40.800 -0.187 0.000 0.962 463 D HN 0.511 nan 8.370 nan 0.000 0.502 464 E N -0.158 119.983 120.200 -0.098 0.000 2.357 464 E HA 0.215 4.579 4.350 0.024 0.000 0.202 464 E C 1.076 177.740 176.600 0.107 0.000 0.855 464 E CA 0.075 56.457 56.400 -0.030 0.000 1.048 464 E CB 0.361 30.044 29.700 -0.027 0.000 1.037 464 E HN 0.211 nan 8.360 nan 0.000 0.499 465 G N 1.723 110.552 108.800 0.047 0.000 2.339 465 G HA2 0.556 4.530 3.960 0.024 0.000 0.287 465 G HA3 0.556 4.530 3.960 0.024 0.000 0.287 465 G C -0.700 174.213 174.900 0.022 0.000 1.163 465 G CA -0.061 45.060 45.100 0.035 0.000 0.872 465 G HN -0.018 nan 8.290 nan 0.000 0.464 466 L N 2.916 124.119 121.223 -0.033 0.000 2.703 466 L HA 0.232 4.587 4.340 0.024 0.000 0.257 466 L C -2.559 174.221 176.870 -0.150 0.000 0.923 466 L CA -1.648 53.140 54.840 -0.087 0.000 0.936 466 L CB 3.220 45.208 42.059 -0.118 0.000 1.482 466 L HN 0.372 nan 8.230 nan 0.000 0.432 467 P HA -0.011 nan 4.420 nan 0.000 0.266 467 P C 0.458 177.627 177.300 -0.218 0.000 1.193 467 P CA -0.243 62.770 63.100 -0.145 0.000 0.770 467 P CB 0.661 32.296 31.700 -0.108 0.000 0.836 468 L N 3.411 124.511 121.223 -0.205 0.000 2.079 468 L HA -0.199 4.156 4.340 0.024 0.000 0.210 468 L C 1.745 178.516 176.870 -0.164 0.000 1.081 468 L CA 2.034 56.747 54.840 -0.212 0.000 0.752 468 L CB -1.060 40.871 42.059 -0.212 0.000 0.896 468 L HN 0.289 nan 8.230 nan 0.000 0.433 469 E N -0.725 119.353 120.200 -0.205 0.000 2.209 469 E HA -0.191 4.173 4.350 0.024 0.000 0.196 469 E C 1.916 178.103 176.600 -0.688 0.000 0.993 469 E CA 1.246 57.462 56.400 -0.306 0.000 0.819 469 E CB -0.239 29.276 29.700 -0.309 0.000 0.745 469 E HN 0.378 nan 8.360 nan 0.000 0.477 470 L N 0.206 121.020 121.223 -0.682 0.000 2.446 470 L HA 0.069 4.423 4.340 0.024 0.000 0.219 470 L C 0.838 177.447 176.870 -0.435 0.000 1.116 470 L CA 0.698 55.138 54.840 -0.665 0.000 0.844 470 L CB -0.123 41.687 42.059 -0.415 0.000 0.970 470 L HN -0.074 nan 8.230 nan 0.000 0.457 471 R N -0.698 119.569 120.500 -0.388 0.000 2.726 471 R HA 0.497 4.852 4.340 0.024 0.000 0.272 471 R C 0.300 176.084 176.300 -0.861 0.000 1.097 471 R CA 0.516 56.355 56.100 -0.435 0.000 1.198 471 R CB 0.211 30.292 30.300 -0.364 0.000 1.114 471 R HN 0.207 nan 8.270 nan 0.000 0.550 472 G N -0.287 107.924 108.800 -0.981 0.000 2.561 472 G HA2 0.225 4.200 3.960 0.024 0.000 0.310 472 G HA3 0.225 4.200 3.960 0.024 0.000 0.310 472 G C -2.578 171.902 174.900 -0.700 0.000 1.292 472 G CA -0.769 43.398 45.100 -1.554 0.000 0.811 472 G HN 0.269 nan 8.290 nan 0.000 0.482 473 P HA 0.047 nan 4.420 nan 0.000 0.234 473 P C 0.851 178.142 177.300 -0.014 0.000 1.167 473 P CA 0.904 63.917 63.100 -0.145 0.000 0.763 473 P CB 0.268 31.777 31.700 -0.318 0.000 0.835 474 N N -1.930 116.702 118.700 -0.114 0.000 2.236 474 N HA -0.023 4.731 4.740 0.024 0.000 0.196 474 N C -0.146 175.310 175.510 -0.090 0.000 1.114 474 N CA -0.464 52.542 53.050 -0.073 0.000 0.859 474 N CB -0.381 38.031 38.487 -0.126 0.000 0.982 474 N HN -0.041 nan 8.380 nan 0.000 0.493 475 Y N 1.174 121.338 120.300 -0.226 0.000 2.620 475 Y HA 0.172 4.736 4.550 0.024 0.000 0.330 475 Y C -1.628 174.098 175.900 -0.289 0.000 1.186 475 Y CA -1.597 56.305 58.100 -0.330 0.000 1.467 475 Y CB 0.899 39.038 38.460 -0.535 0.000 1.262 475 Y HN 0.103 nan 8.280 nan 0.000 0.550 476 P HA -0.181 nan 4.420 nan 0.000 0.215 476 P C 0.541 177.659 177.300 -0.304 0.000 1.157 476 P CA 2.378 65.215 63.100 -0.438 0.000 0.868 476 P CB 0.160 31.578 31.700 -0.471 0.000 0.788 477 N N -2.087 116.362 118.700 -0.418 0.000 2.364 477 N HA -0.160 4.595 4.740 0.024 0.000 0.183 477 N C 0.713 176.352 175.510 0.215 0.000 1.022 477 N CA 0.584 53.583 53.050 -0.085 0.000 0.883 477 N CB -0.278 38.212 38.487 0.004 0.000 0.965 477 N HN 0.207 nan 8.380 nan 0.000 0.438 478 Y N -0.064 120.306 120.300 0.118 0.000 2.457 478 Y HA 0.390 4.954 4.550 0.024 0.000 0.263 478 Y C 1.679 177.619 175.900 0.066 0.000 1.164 478 Y CA -1.155 57.021 58.100 0.127 0.000 1.274 478 Y CB -0.532 38.105 38.460 0.294 0.000 1.097 478 Y HN 0.009 nan 8.280 nan 0.000 0.523 479 A N -0.733 122.188 122.820 0.168 0.000 2.167 479 A HA -0.003 4.332 4.320 0.024 0.000 0.214 479 A C 1.887 179.541 177.584 0.115 0.000 1.151 479 A CA 1.083 53.203 52.037 0.139 0.000 0.735 479 A CB -0.290 18.748 19.000 0.063 0.000 0.802 479 A HN 0.391 nan 8.150 nan 0.000 0.467 480 M N -1.641 118.002 119.600 0.072 0.000 2.638 480 M HA 0.191 4.686 4.480 0.024 0.000 0.256 480 M C -0.365 175.947 176.300 0.020 0.000 1.282 480 M CA 0.296 55.617 55.300 0.035 0.000 1.155 480 M CB 0.488 33.107 32.600 0.032 0.000 1.345 480 M HN 0.249 nan 8.290 nan 0.000 0.523 481 N N 0.087 118.788 118.700 0.002 0.000 2.314 481 N HA 0.455 5.210 4.740 0.024 0.000 0.304 481 N C -0.604 174.881 175.510 -0.041 0.000 1.073 481 N CA -0.778 52.273 53.050 0.002 0.000 0.822 481 N CB 2.482 40.987 38.487 0.032 0.000 1.280 481 N HN -0.074 nan 8.380 nan 0.000 0.489 482 V N -0.195 119.602 119.914 -0.195 0.000 3.376 482 V HA 0.527 4.661 4.120 0.024 0.000 0.303 482 V C 1.327 177.432 176.094 0.018 0.000 1.100 482 V CA 0.036 62.170 62.300 -0.276 0.000 1.126 482 V CB 0.083 31.349 31.823 -0.929 0.000 1.085 482 V HN 0.959 nan 8.190 nan 0.000 0.480 483 G N 0.857 109.654 108.800 -0.005 0.000 2.160 483 G HA2 -0.246 3.728 3.960 0.024 0.000 0.251 483 G HA3 -0.246 3.728 3.960 0.024 0.000 0.251 483 G C 0.044 174.865 174.900 -0.132 0.000 1.008 483 G CA 1.154 46.297 45.100 0.071 0.000 0.724 483 G HN 1.355 nan 8.290 nan 0.000 0.514 484 H N -2.066 116.854 119.070 -0.250 0.000 2.276 484 H HA 0.218 4.789 4.556 0.024 0.000 0.199 484 H C 2.407 177.067 175.328 -1.114 0.000 0.867 484 H CA 0.727 56.311 56.048 -0.773 0.000 0.948 484 H CB -0.335 28.912 29.762 -0.859 0.000 1.251 484 H HN 0.311 nan 8.280 nan 0.000 0.388 485 Q N 0.571 120.100 119.800 -0.452 0.000 2.050 485 Q HA -0.084 4.270 4.340 0.024 0.000 0.202 485 Q C 2.267 178.056 176.000 -0.351 0.000 0.980 485 Q CA 1.540 57.073 55.803 -0.451 0.000 0.840 485 Q CB -0.199 28.400 28.738 -0.231 0.000 0.898 485 Q HN 0.521 nan 8.270 nan 0.000 0.424 486 G N 0.575 109.381 108.800 0.009 0.000 2.422 486 G HA2 -0.241 3.733 3.960 0.024 0.000 0.218 486 G HA3 -0.241 3.733 3.960 0.024 0.000 0.218 486 G C 1.017 175.843 174.900 -0.124 0.000 1.140 486 G CA 0.695 45.863 45.100 0.113 0.000 0.775 486 G HN 0.250 nan 8.290 nan 0.000 0.545 487 E N 0.022 120.046 120.200 -0.292 0.000 2.106 487 E HA -0.081 4.284 4.350 0.024 0.000 0.192 487 E C 2.094 178.378 176.600 -0.526 0.000 0.984 487 E CA 0.809 57.001 56.400 -0.346 0.000 0.806 487 E CB -0.316 29.180 29.700 -0.340 0.000 0.750 487 E HN 0.519 nan 8.360 nan 0.000 0.458 488 Y N 0.484 120.245 120.300 -0.899 0.000 2.224 488 Y HA -0.082 4.482 4.550 0.023 0.000 0.289 488 Y C 2.281 177.746 175.900 -0.726 0.000 1.146 488 Y CA 0.614 58.088 58.100 -1.043 0.000 1.182 488 Y CB -1.100 36.343 38.460 -1.695 0.000 0.983 488 Y HN 0.059 nan 8.280 nan 0.000 0.524 489 A N 0.172 122.753 122.820 -0.398 0.000 1.908 489 A HA -0.128 4.206 4.320 0.024 0.000 0.218 489 A C 2.688 180.262 177.584 -0.017 0.000 1.181 489 A CA 1.843 53.854 52.037 -0.043 0.000 0.627 489 A CB -1.418 17.688 19.000 0.176 0.000 0.818 489 A HN 0.451 nan 8.150 nan 0.000 0.445 490 G N 0.029 108.795 108.800 -0.057 0.000 2.418 490 G HA2 -0.196 3.779 3.960 0.024 0.000 0.217 490 G HA3 -0.196 3.779 3.960 0.024 0.000 0.217 490 G C 1.522 176.390 174.900 -0.053 0.000 1.158 490 G CA 1.128 46.214 45.100 -0.023 0.000 0.771 490 G HN 0.490 nan 8.290 nan 0.000 0.545 491 I N 1.768 122.267 120.570 -0.119 0.000 2.226 491 I HA -0.217 3.967 4.170 0.024 0.000 0.245 491 I C 3.212 179.279 176.117 -0.083 0.000 1.100 491 I CA 1.472 62.691 61.300 -0.135 0.000 1.374 491 I CB -0.298 37.596 38.000 -0.177 0.000 1.057 491 I HN 0.366 nan 8.210 nan 0.000 0.413 492 S N 0.667 116.337 115.700 -0.049 0.000 2.370 492 S HA -0.325 4.159 4.470 0.024 0.000 0.226 492 S C 2.011 176.710 174.600 0.164 0.000 1.033 492 S CA 1.721 59.953 58.200 0.053 0.000 1.011 492 S CB -0.479 62.771 63.200 0.083 0.000 0.852 492 S HN 0.426 nan 8.310 nan 0.000 0.457 493 Q N 1.963 121.841 119.800 0.129 0.000 2.079 493 Q HA 0.195 4.549 4.340 0.024 0.000 0.200 493 Q C 2.224 178.329 176.000 0.175 0.000 0.974 493 Q CA 1.806 57.717 55.803 0.179 0.000 0.840 493 Q CB -1.116 27.704 28.738 0.138 0.000 0.898 493 Q HN 0.637 nan 8.270 nan 0.000 0.430 494 A N 1.552 124.425 122.820 0.089 0.000 1.884 494 A HA -0.172 4.162 4.320 0.024 0.000 0.219 494 A C -0.365 177.324 177.584 0.175 0.000 1.197 494 A CA 1.951 54.055 52.037 0.113 0.000 0.637 494 A CB -1.924 16.914 19.000 -0.270 0.000 0.827 494 A HN 0.568 nan 8.150 nan 0.000 0.450 495 P HA -0.125 nan 4.420 nan 0.000 0.220 495 P C 0.897 178.107 177.300 -0.150 0.000 1.152 495 P CA 1.287 64.335 63.100 -0.087 0.000 0.812 495 P CB -0.351 31.190 31.700 -0.265 0.000 0.792 496 H N 0.192 119.292 119.070 0.049 0.000 2.395 496 H HA 0.106 4.678 4.556 0.025 0.000 0.299 496 H C 2.072 177.425 175.328 0.041 0.000 1.070 496 H CA 1.475 57.529 56.048 0.010 0.000 1.356 496 H CB -0.674 29.077 29.762 -0.019 0.000 1.401 496 H HN 0.114 nan 8.280 nan 0.000 0.524 497 A N 1.218 124.152 122.820 0.189 0.000 1.930 497 A HA -0.016 4.318 4.320 0.024 0.000 0.217 497 A C 2.666 180.300 177.584 0.082 0.000 1.175 497 A CA 1.439 53.565 52.037 0.147 0.000 0.627 497 A CB -0.651 18.454 19.000 0.174 0.000 0.815 497 A HN 0.405 nan 8.150 nan 0.000 0.443 498 A N -0.346 122.529 122.820 0.091 0.000 1.969 498 A HA -0.107 4.228 4.320 0.024 0.000 0.218 498 A C 2.196 179.787 177.584 0.011 0.000 1.169 498 A CA 1.414 53.454 52.037 0.006 0.000 0.635 498 A CB -0.362 18.685 19.000 0.079 0.000 0.810 498 A HN 0.527 nan 8.150 nan 0.000 0.445 499 R N -1.753 118.759 120.500 0.019 0.000 2.240 499 R HA 0.154 4.508 4.340 0.024 0.000 0.203 499 R C 1.365 177.676 176.300 0.018 0.000 1.011 499 R CA 0.622 56.726 56.100 0.006 0.000 1.007 499 R CB -0.090 30.204 30.300 -0.011 0.000 0.911 499 R HN 0.693 nan 8.270 nan 0.000 0.468 500 G N 1.429 110.252 108.800 0.039 0.000 2.143 500 G HA2 -0.222 3.752 3.960 0.024 0.000 0.249 500 G HA3 -0.222 3.752 3.960 0.024 0.000 0.249 500 G C -0.570 174.343 174.900 0.022 0.000 0.981 500 G CA 0.041 45.167 45.100 0.043 0.000 0.665 500 G HN 0.258 nan 8.290 nan 0.000 0.528 501 D N 0.038 120.449 120.400 0.017 0.000 2.443 501 D HA 0.455 5.109 4.640 0.024 0.000 0.239 501 D C 1.516 177.781 176.300 -0.058 0.000 1.136 501 D CA 0.602 54.566 54.000 -0.060 0.000 0.879 501 D CB 1.080 41.838 40.800 -0.070 0.000 1.195 501 D HN 0.400 nan 8.370 nan 0.000 0.443 502 A N 2.464 125.234 122.820 -0.083 0.000 2.067 502 A HA 0.056 4.390 4.320 0.024 0.000 0.219 502 A C 0.492 178.151 177.584 0.125 0.000 1.158 502 A CA 0.962 53.024 52.037 0.041 0.000 0.661 502 A CB -0.477 18.558 19.000 0.060 0.000 0.801 502 A HN 0.553 nan 8.150 nan 0.000 0.452 503 F N -6.402 113.515 119.950 -0.054 0.000 2.711 503 F HA 0.605 5.147 4.527 0.025 0.000 0.313 503 F C 0.175 175.861 175.800 -0.190 0.000 1.141 503 F CA -0.969 56.977 58.000 -0.090 0.000 0.941 503 F CB 0.825 39.743 39.000 -0.136 0.000 1.349 503 F HN -0.281 nan 8.300 nan 0.000 0.464 504 V N 0.097 119.953 119.914 -0.096 0.000 2.672 504 V HA 0.052 4.187 4.120 0.024 0.000 0.242 504 V C 0.513 176.576 176.094 -0.052 0.000 1.059 504 V CA 1.590 63.628 62.300 -0.438 0.000 1.081 504 V CB 0.290 32.079 31.823 -0.057 0.000 0.752 504 V HN 0.870 nan 8.190 nan 0.000 0.472 505 F N -0.715 119.331 119.950 0.160 0.000 2.743 505 F HA 0.454 4.996 4.527 0.025 0.000 0.356 505 F C 0.089 176.006 175.800 0.195 0.000 0.845 505 F CA -0.132 57.987 58.000 0.199 0.000 1.058 505 F CB 0.683 39.792 39.000 0.182 0.000 0.952 505 F HN 0.123 nan 8.300 nan 0.000 0.620 506 N N 2.102 120.766 118.700 -0.060 0.000 2.571 506 N HA 0.290 5.044 4.740 0.024 0.000 0.286 506 N C -2.493 172.635 175.510 -0.637 0.000 1.138 506 N CA -1.626 51.119 53.050 -0.509 0.000 0.859 506 N CB 2.236 40.278 38.487 -0.741 0.000 1.414 506 N HN -0.097 nan 8.380 nan 0.000 0.529 507 P HA -0.064 nan 4.420 nan 0.000 0.220 507 P C 1.521 178.421 177.300 -0.667 0.000 1.148 507 P CA 0.685 63.141 63.100 -1.073 0.000 0.803 507 P CB 0.752 31.644 31.700 -1.346 0.000 0.782 508 L N -0.852 120.004 121.223 -0.612 0.000 2.056 508 L HA -0.103 4.251 4.340 0.024 0.000 0.207 508 L C 2.716 179.363 176.870 -0.371 0.000 1.078 508 L CA 1.150 55.714 54.840 -0.460 0.000 0.749 508 L CB -1.288 40.432 42.059 -0.565 0.000 0.901 508 L HN -0.167 nan 8.230 nan 0.000 0.433 509 V N 0.299 119.965 119.914 -0.413 0.000 2.343 509 V HA -0.282 3.852 4.120 0.024 0.000 0.247 509 V C 2.629 178.663 176.094 -0.100 0.000 1.051 509 V CA 1.959 64.099 62.300 -0.267 0.000 1.036 509 V CB -0.529 30.987 31.823 -0.512 0.000 0.654 509 V HN 0.384 nan 8.190 nan 0.000 0.451 510 K N 0.835 121.136 120.400 -0.166 0.000 2.032 510 K HA -0.151 4.184 4.320 0.024 0.000 0.209 510 K C 1.758 178.374 176.600 0.027 0.000 1.048 510 K CA 1.906 58.182 56.287 -0.019 0.000 0.927 510 K CB -0.650 31.831 32.500 -0.032 0.000 0.712 510 K HN 0.474 nan 8.250 nan 0.000 0.441 511 I N 0.384 120.801 120.570 -0.256 0.000 2.394 511 I HA -0.167 4.017 4.170 0.024 0.000 0.251 511 I C 2.144 178.107 176.117 -0.256 0.000 1.136 511 I CA 1.025 62.124 61.300 -0.335 0.000 1.425 511 I CB -0.333 37.020 38.000 -1.078 0.000 1.079 511 I HN 0.223 nan 8.210 nan 0.000 0.425 512 A N 0.220 122.897 122.820 -0.238 0.000 2.125 512 A HA -0.116 4.219 4.320 0.024 0.000 0.219 512 A C 1.674 179.034 177.584 -0.373 0.000 1.156 512 A CA 1.381 53.302 52.037 -0.194 0.000 0.671 512 A CB -0.679 18.222 19.000 -0.165 0.000 0.794 512 A HN 0.431 nan 8.150 nan 0.000 0.459 513 F N -0.948 118.938 119.950 -0.106 0.000 2.653 513 F HA 0.396 4.937 4.527 0.024 0.000 0.304 513 F C 1.457 177.246 175.800 -0.018 0.000 1.092 513 F CA 0.039 57.961 58.000 -0.129 0.000 1.279 513 F CB 0.323 39.114 39.000 -0.348 0.000 1.044 513 F HN 0.150 nan 8.300 nan 0.000 0.564 514 A N 0.700 123.578 122.820 0.095 0.000 3.091 514 A HA 0.318 4.652 4.320 0.024 0.000 0.264 514 A C -0.522 177.082 177.584 0.034 0.000 1.673 514 A CA 0.171 52.228 52.037 0.032 0.000 1.362 514 A CB -0.752 18.238 19.000 -0.017 0.000 1.137 514 A HN 0.142 nan 8.150 nan 0.000 0.617 515 D N 0.911 121.360 120.400 0.081 0.000 2.616 515 D HA 0.173 4.827 4.640 0.024 0.000 0.238 515 D C -0.291 176.081 176.300 0.120 0.000 1.354 515 D CA -0.404 53.651 54.000 0.093 0.000 0.970 515 D CB 1.310 42.175 40.800 0.110 0.000 1.369 515 D HN 0.313 nan 8.370 nan 0.000 0.585 516 D N 1.998 122.438 120.400 0.068 0.000 2.336 516 D HA 0.000 4.655 4.640 0.024 0.000 0.229 516 D C 0.403 176.734 176.300 0.051 0.000 1.061 516 D CA 0.073 54.112 54.000 0.064 0.000 0.875 516 D CB -0.282 40.530 40.800 0.020 0.000 0.904 516 D HN 0.239 nan 8.370 nan 0.000 0.525 517 N N -0.419 118.307 118.700 0.042 0.000 2.467 517 N HA 0.140 4.895 4.740 0.024 0.000 0.184 517 N C 0.293 175.929 175.510 0.209 0.000 1.106 517 N CA -0.096 52.951 53.050 -0.004 0.000 0.892 517 N CB 0.237 38.506 38.487 -0.363 0.000 0.969 517 N HN 0.169 nan 8.380 nan 0.000 0.454 518 L N 0.151 121.542 121.223 0.281 0.000 2.482 518 L HA -0.033 4.321 4.340 0.024 0.000 0.273 518 L C 1.505 178.553 176.870 0.296 0.000 1.228 518 L CA -0.301 54.750 54.840 0.352 0.000 0.827 518 L CB 0.722 43.060 42.059 0.466 0.000 1.099 518 L HN -0.034 nan 8.230 nan 0.000 0.494 519 V N 1.328 121.436 119.914 0.323 0.000 2.302 519 V HA -0.169 3.965 4.120 0.024 0.000 0.243 519 V C 0.640 176.938 176.094 0.341 0.000 1.036 519 V CA 0.934 63.390 62.300 0.260 0.000 1.020 519 V CB -0.357 31.629 31.823 0.271 0.000 0.657 519 V HN 0.492 nan 8.190 nan 0.000 0.453 520 F N 1.662 121.803 119.950 0.319 0.000 2.399 520 F HA 0.344 4.885 4.527 0.024 0.000 0.342 520 F C 0.291 176.122 175.800 0.053 0.000 1.106 520 F CA -0.957 57.162 58.000 0.199 0.000 1.196 520 F CB 0.686 39.607 39.000 -0.132 0.000 1.163 520 F HN 0.038 nan 8.300 nan 0.000 0.547 521 D N 5.408 125.556 120.400 -0.420 0.000 2.441 521 D HA 0.074 4.728 4.640 0.024 0.000 0.221 521 D C 0.489 176.689 176.300 -0.166 0.000 1.156 521 D CA -0.012 53.880 54.000 -0.181 0.000 0.896 521 D CB -0.270 40.410 40.800 -0.200 0.000 1.028 521 D HN 0.444 nan 8.370 nan 0.000 0.509 522 F N 0.952 121.051 119.950 0.249 0.000 2.641 522 F HA -0.085 4.456 4.527 0.024 0.000 0.298 522 F C 2.599 178.469 175.800 0.118 0.000 1.146 522 F CA 0.983 59.155 58.000 0.286 0.000 1.464 522 F CB -0.154 39.020 39.000 0.291 0.000 1.101 522 F HN 0.377 nan 8.300 nan 0.000 0.585 523 T N -3.357 111.296 114.554 0.166 0.000 3.085 523 T HA -0.044 4.320 4.350 0.024 0.000 0.263 523 T C 0.877 175.579 174.700 0.004 0.000 1.127 523 T CA 0.625 62.770 62.100 0.075 0.000 1.103 523 T CB -0.194 68.693 68.868 0.033 0.000 0.921 523 T HN 0.097 nan 8.240 nan 0.000 0.510 524 N N 0.510 119.169 118.700 -0.069 0.000 2.697 524 N HA 0.265 5.019 4.740 0.024 0.000 0.253 524 N C 0.631 175.987 175.510 -0.257 0.000 1.604 524 N CA -0.219 52.752 53.050 -0.131 0.000 0.772 524 N CB 0.826 39.237 38.487 -0.127 0.000 1.267 524 N HN 0.032 nan 8.380 nan 0.000 0.510 525 V N 1.547 121.323 119.914 -0.229 0.000 2.287 525 V HA -0.195 3.940 4.120 0.024 0.000 0.248 525 V C 2.269 177.917 176.094 -0.743 0.000 1.053 525 V CA 1.784 63.851 62.300 -0.388 0.000 1.027 525 V CB -0.187 31.447 31.823 -0.315 0.000 0.646 525 V HN 0.495 nan 8.190 nan 0.000 0.447 526 R N -0.095 120.108 120.500 -0.494 0.000 2.092 526 R HA -0.056 4.298 4.340 0.024 0.000 0.231 526 R C 2.473 178.648 176.300 -0.208 0.000 1.119 526 R CA 1.231 57.103 56.100 -0.381 0.000 0.970 526 R CB -0.772 29.440 30.300 -0.146 0.000 0.864 526 R HN 0.593 nan 8.270 nan 0.000 0.440 527 G N 1.275 109.969 108.800 -0.178 0.000 2.442 527 G HA2 -0.253 3.721 3.960 0.024 0.000 0.219 527 G HA3 -0.253 3.721 3.960 0.024 0.000 0.219 527 G C 1.204 176.036 174.900 -0.113 0.000 1.141 527 G CA 0.543 45.576 45.100 -0.111 0.000 0.763 527 G HN 0.221 nan 8.290 nan 0.000 0.554 528 E N 0.363 120.413 120.200 -0.250 0.000 2.072 528 E HA -0.056 4.308 4.350 0.024 0.000 0.191 528 E C 2.308 178.927 176.600 0.031 0.000 0.985 528 E CA 0.441 56.698 56.400 -0.238 0.000 0.801 528 E CB -0.368 28.831 29.700 -0.834 0.000 0.750 528 E HN 0.404 nan 8.360 nan 0.000 0.452 529 F N 1.302 121.208 119.950 -0.073 0.000 2.126 529 F HA -0.147 4.394 4.527 0.024 0.000 0.299 529 F C 2.512 178.312 175.800 0.000 0.000 1.096 529 F CA 0.775 58.747 58.000 -0.047 0.000 1.255 529 F CB -1.481 37.443 39.000 -0.126 0.000 0.997 529 F HN -0.013 nan 8.300 nan 0.000 0.479 530 A N -0.308 122.625 122.820 0.188 0.000 1.902 530 A HA -0.222 4.112 4.320 0.024 0.000 0.217 530 A C 2.344 179.999 177.584 0.119 0.000 1.181 530 A CA 1.754 53.871 52.037 0.135 0.000 0.623 530 A CB -0.769 18.280 19.000 0.082 0.000 0.818 530 A HN 0.344 nan 8.150 nan 0.000 0.443 531 K N -0.602 119.864 120.400 0.110 0.000 2.057 531 K HA -0.123 4.212 4.320 0.024 0.000 0.207 531 K C 1.981 178.688 176.600 0.178 0.000 1.049 531 K CA 1.418 57.788 56.287 0.138 0.000 0.931 531 K CB -0.493 32.100 32.500 0.156 0.000 0.714 531 K HN 0.400 nan 8.250 nan 0.000 0.440 532 G N 0.173 109.072 108.800 0.165 0.000 2.408 532 G HA2 -0.216 3.759 3.960 0.024 0.000 0.217 532 G HA3 -0.216 3.759 3.960 0.024 0.000 0.217 532 G C 1.530 176.504 174.900 0.124 0.000 1.150 532 G CA 0.775 45.957 45.100 0.136 0.000 0.776 532 G HN 0.422 nan 8.290 nan 0.000 0.542 533 A N 0.562 123.456 122.820 0.124 0.000 1.933 533 A HA 0.155 4.490 4.320 0.024 0.000 0.218 533 A C 2.235 179.886 177.584 0.112 0.000 1.175 533 A CA 0.872 52.980 52.037 0.120 0.000 0.628 533 A CB -0.306 18.775 19.000 0.135 0.000 0.814 533 A HN 0.348 nan 8.150 nan 0.000 0.444 534 L N -1.607 119.683 121.223 0.111 0.000 2.610 534 L HA 0.044 4.399 4.340 0.024 0.000 0.232 534 L C 0.562 177.489 176.870 0.095 0.000 1.149 534 L CA 0.231 55.129 54.840 0.097 0.000 0.872 534 L CB -0.218 41.896 42.059 0.091 0.000 0.992 534 L HN 0.431 nan 8.230 nan 0.000 0.447 535 R N -0.416 120.151 120.500 0.111 0.000 3.656 535 R HA -0.203 4.151 4.340 0.024 0.000 0.297 535 R C 0.453 176.819 176.300 0.111 0.000 1.166 535 R CA 0.757 56.923 56.100 0.110 0.000 0.799 535 R CB -2.048 28.303 30.300 0.085 0.000 1.285 535 R HN 0.471 nan 8.270 nan 0.000 0.477 536 E N -0.340 119.939 120.200 0.132 0.000 2.526 536 E HA 0.106 4.470 4.350 0.024 0.000 0.208 536 E C -0.187 176.488 176.600 0.124 0.000 0.997 536 E CA -0.245 56.219 56.400 0.105 0.000 0.961 536 E CB 0.345 30.095 29.700 0.084 0.000 1.030 536 E HN 0.183 nan 8.360 nan 0.000 0.483 537 F N 2.339 122.311 119.950 0.038 0.000 2.396 537 F HA 0.173 4.714 4.527 0.024 0.000 0.343 537 F C 0.111 175.938 175.800 0.045 0.000 1.104 537 F CA -0.454 57.568 58.000 0.037 0.000 1.161 537 F CB 0.799 39.837 39.000 0.063 0.000 1.146 537 F HN -0.250 nan 8.300 nan 0.000 0.522 538 E N 7.867 127.795 120.200 -0.453 0.000 2.035 538 E HA 0.233 4.597 4.350 0.024 0.000 0.271 538 E C -2.307 174.157 176.600 -0.226 0.000 0.953 538 E CA -1.888 54.367 56.400 -0.241 0.000 0.777 538 E CB 0.660 30.212 29.700 -0.246 0.000 1.104 538 E HN 0.380 nan 8.360 nan 0.000 0.408 539 P HA 0.233 nan 4.420 nan 0.000 0.278 539 P C -0.709 176.667 177.300 0.126 0.000 1.258 539 P CA -0.431 62.833 63.100 0.274 0.000 0.811 539 P CB 1.198 33.097 31.700 0.332 0.000 1.063 540 A N -0.131 122.770 122.820 0.136 0.000 2.246 540 A HA 0.627 4.962 4.320 0.024 0.000 0.291 540 A C 1.166 178.791 177.584 0.068 0.000 1.103 540 A CA 0.132 52.217 52.037 0.080 0.000 0.844 540 A CB -0.524 18.524 19.000 0.080 0.000 1.136 540 A HN 0.833 nan 8.150 nan 0.000 0.500 541 G N -1.192 107.629 108.800 0.034 0.000 2.194 541 G HA2 -0.162 3.812 3.960 0.024 0.000 0.236 541 G HA3 -0.162 3.812 3.960 0.024 0.000 0.236 541 G C 0.129 175.040 174.900 0.018 0.000 0.987 541 G CA 0.323 45.435 45.100 0.020 0.000 0.635 541 G HN 0.733 nan 8.290 nan 0.000 0.520 542 E N -0.152 120.061 120.200 0.021 0.000 2.408 542 E HA 0.461 4.825 4.350 0.024 0.000 0.259 542 E C 1.133 177.730 176.600 -0.004 0.000 1.110 542 E CA -0.204 56.205 56.400 0.015 0.000 0.929 542 E CB 0.435 30.146 29.700 0.018 0.000 0.971 542 E HN 0.274 nan 8.360 nan 0.000 0.438 543 R N 0.571 121.069 120.500 -0.003 0.000 2.393 543 R HA 0.176 4.530 4.340 0.024 0.000 0.244 543 R C 1.564 177.851 176.300 -0.021 0.000 0.920 543 R CA 0.535 56.627 56.100 -0.013 0.000 1.076 543 R CB -0.130 30.169 30.300 -0.002 0.000 1.119 543 R HN 0.536 nan 8.270 nan 0.000 0.524 544 A N 0.844 123.653 122.820 -0.019 0.000 1.958 544 A HA -0.210 4.125 4.320 0.024 0.000 0.221 544 A C 1.829 179.394 177.584 -0.032 0.000 1.178 544 A CA 1.515 53.541 52.037 -0.019 0.000 0.642 544 A CB -0.412 18.580 19.000 -0.013 0.000 0.816 544 A HN 0.327 nan 8.150 nan 0.000 0.453 545 L N 0.000 121.187 121.223 -0.060 0.000 2.275 545 L HA 0.017 4.372 4.340 0.024 0.000 0.215 545 L C 1.579 178.408 176.870 -0.068 0.000 1.119 545 L CA 1.878 56.665 54.840 -0.089 0.000 0.790 545 L CB -0.310 41.634 42.059 -0.191 0.000 0.919 545 L HN 0.599 nan 8.230 nan 0.000 0.443 546 I N -3.138 117.403 120.570 -0.048 0.000 3.856 546 I HA 0.339 4.523 4.170 0.024 0.000 0.330 546 I C -0.059 176.057 176.117 -0.001 0.000 1.546 546 I CA -0.038 61.252 61.300 -0.017 0.000 1.132 546 I CB -0.373 37.623 38.000 -0.008 0.000 1.157 546 I HN 0.151 nan 8.210 nan 0.000 0.440 547 T N -1.860 112.691 114.554 -0.005 0.000 2.916 547 T HA 0.698 5.063 4.350 0.024 0.000 0.292 547 T C -2.673 172.028 174.700 0.002 0.000 1.055 547 T CA -1.542 60.559 62.100 0.001 0.000 1.009 547 T CB 1.586 70.454 68.868 0.000 0.000 1.118 547 T HN -0.116 nan 8.240 nan 0.000 0.497 548 P HA 0.486 nan 4.420 nan 0.000 0.271 548 P C -0.101 177.202 177.300 0.004 0.000 1.233 548 P CA -0.502 62.602 63.100 0.005 0.000 0.789 548 P CB -0.026 31.677 31.700 0.006 0.000 0.951 549 A N 0.000 122.823 122.820 0.005 0.000 2.254 549 A HA 0.000 4.334 4.320 0.024 0.000 0.244 549 A CA 0.000 52.039 52.037 0.004 0.000 0.836 549 A CB 0.000 19.003 19.000 0.005 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486