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 3amj_1_A DATA FIRST_RESID 29 DATA SEQUENCE PAASTFETTL PNGLKVVVRE DHRAPTLVHM VWYRVGSMDE TTGTTGVAHA DATA SEQUENCE LEHMMFKGTK DVGPGEFSKR VAAMGGRDNA FTTRDYTAYY QQVPSSRLSD DATA SEQUENCE VMGLEADRMA NLVVDDELFK KEIQVIAEER RWRTDDKPRS KAYEALMAAS DATA SEQUENCE YVAHPYRVPV IGWMNDIQNM TAQDVRDWYK RWYGPNNATV VVVGDVEHEA DATA SEQUENCE VFRLAEQTYG KLARVEAPAR KQQGEPQQAG VRRVTVKAPA ELPYLALAWH DATA SEQUENCE VPAIVDLDKS RDAYALEILA AVLDGYDGAR MTRQLVRGNK HAVSAGAGYD DATA SEQUENCE SLSRGQQGLF ILEGVPSKGV TIAQLETDLR AQVRDIAAKG VTEAELSRVK DATA SEQUENCE SQMVAGKVYE QDSLMGQATQ IGGLEVLGLS WRDDDRFYQQ LRSVTAAEVK DATA SEQUENCE AAAARLLTDD TLTVANLVPL PP 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.258 177.300 -0.069 0.000 1.155 29 P CA 0.000 63.065 63.100 -0.058 0.000 0.800 29 P CB 0.000 31.678 31.700 -0.036 0.000 0.726 30 A N -0.516 122.312 122.820 0.013 0.000 2.379 30 A HA 0.561 4.882 4.320 0.001 0.000 0.236 30 A C 1.036 178.603 177.584 -0.028 0.000 1.272 30 A CA 0.999 53.104 52.037 0.113 0.000 0.886 30 A CB -0.743 18.445 19.000 0.314 0.000 0.962 30 A HN 0.518 nan 8.150 nan 0.000 0.504 31 A N 0.180 122.943 122.820 -0.096 0.000 2.684 31 A HA 0.494 4.814 4.320 0.001 0.000 0.288 31 A C 1.045 178.510 177.584 -0.199 0.000 1.337 31 A CA 0.645 52.612 52.037 -0.117 0.000 0.946 31 A CB -0.537 18.440 19.000 -0.037 0.000 1.093 31 A HN 0.905 nan 8.150 nan 0.000 0.543 32 S N -2.965 112.490 115.700 -0.408 0.000 2.583 32 S HA 0.107 4.577 4.470 0.001 0.000 0.264 32 S C 0.220 174.440 174.600 -0.633 0.000 1.008 32 S CA 0.153 58.143 58.200 -0.350 0.000 1.435 32 S CB -0.159 62.935 63.200 -0.176 0.000 1.236 32 S HN 0.184 nan 8.310 nan 0.000 0.669 33 T N 2.703 116.628 114.554 -1.048 0.000 2.859 33 T HA 0.775 5.126 4.350 0.001 0.000 0.281 33 T C -1.195 172.706 174.700 -1.331 0.000 1.005 33 T CA -0.134 61.252 62.100 -1.190 0.000 1.025 33 T CB 0.855 68.564 68.868 -1.932 0.000 0.977 33 T HN 0.233 nan 8.240 nan 0.000 0.458 34 F N 1.010 120.759 119.950 -0.335 0.000 2.601 34 F HA 0.526 5.054 4.527 0.001 0.000 0.309 34 F C 0.096 176.024 175.800 0.213 0.000 1.089 34 F CA -1.072 56.922 58.000 -0.010 0.000 0.940 34 F CB 2.039 40.995 39.000 -0.073 0.000 1.273 34 F HN 0.595 nan 8.300 nan 0.000 0.450 35 E N -0.187 120.305 120.200 0.487 0.000 2.367 35 E HA 0.761 5.111 4.350 0.001 0.000 0.273 35 E C -1.576 175.037 176.600 0.022 0.000 0.903 35 E CA -0.972 55.612 56.400 0.307 0.000 0.764 35 E CB 2.798 32.661 29.700 0.272 0.000 1.252 35 E HN 0.501 nan 8.360 nan 0.000 0.446 36 T N 0.231 114.618 114.554 -0.277 0.000 2.868 36 T HA 0.482 4.832 4.350 0.001 0.000 0.306 36 T C -1.621 172.935 174.700 -0.239 0.000 1.224 36 T CA -0.476 61.375 62.100 -0.415 0.000 1.012 36 T CB 2.050 70.362 68.868 -0.927 0.000 1.221 36 T HN 0.608 nan 8.240 nan 0.000 0.499 37 T N 3.372 117.824 114.554 -0.169 0.000 2.890 37 T HA 0.622 4.972 4.350 0.001 0.000 0.295 37 T C -0.131 174.513 174.700 -0.093 0.000 0.993 37 T CA -0.707 61.326 62.100 -0.111 0.000 0.979 37 T CB 0.052 68.879 68.868 -0.069 0.000 0.967 37 T HN 0.534 nan 8.240 nan 0.000 0.441 38 L N 5.239 126.418 121.223 -0.074 0.000 2.473 38 L HA 0.277 4.617 4.340 0.001 0.000 0.265 38 L C -1.114 175.740 176.870 -0.027 0.000 1.243 38 L CA -1.887 52.927 54.840 -0.042 0.000 0.822 38 L CB 0.025 42.080 42.059 -0.007 0.000 1.101 38 L HN 0.450 nan 8.230 nan 0.000 0.507 39 P HA -0.153 nan 4.420 nan 0.000 0.218 39 P C 0.809 178.106 177.300 -0.005 0.000 1.148 39 P CA 1.502 64.596 63.100 -0.010 0.000 0.822 39 P CB -0.187 31.512 31.700 -0.003 0.000 0.784 40 N N -1.715 116.987 118.700 0.002 0.000 2.571 40 N HA -0.016 4.725 4.740 0.001 0.000 0.189 40 N C 1.247 176.755 175.510 -0.004 0.000 1.154 40 N CA 0.803 53.856 53.050 0.006 0.000 0.907 40 N CB -0.336 38.164 38.487 0.022 0.000 0.977 40 N HN 0.139 nan 8.380 nan 0.000 0.449 41 G N 0.200 108.991 108.800 -0.014 0.000 2.238 41 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 41 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 41 G C -0.141 174.736 174.900 -0.039 0.000 0.996 41 G CA -0.069 45.017 45.100 -0.023 0.000 0.632 41 G HN 0.290 nan 8.290 nan 0.000 0.503 42 L N 1.909 123.105 121.223 -0.046 0.000 2.513 42 L HA 0.500 4.841 4.340 0.001 0.000 0.272 42 L C 0.561 177.378 176.870 -0.088 0.000 1.187 42 L CA 0.699 55.488 54.840 -0.085 0.000 0.895 42 L CB 0.628 42.631 42.059 -0.092 0.000 1.147 42 L HN 0.375 nan 8.230 nan 0.000 0.483 43 K N 3.961 124.303 120.400 -0.096 0.000 2.143 43 K HA 0.557 4.877 4.320 0.001 0.000 0.272 43 K C -1.231 175.325 176.600 -0.072 0.000 1.001 43 K CA -0.672 55.569 56.287 -0.077 0.000 0.915 43 K CB 1.314 33.781 32.500 -0.055 0.000 1.047 43 K HN 0.521 nan 8.250 nan 0.000 0.458 44 V N 3.910 123.806 119.914 -0.030 0.000 2.487 44 V HA 0.391 4.512 4.120 0.001 0.000 0.298 44 V C -0.782 175.405 176.094 0.154 0.000 1.028 44 V CA -1.036 61.304 62.300 0.066 0.000 0.860 44 V CB 1.616 33.548 31.823 0.182 0.000 0.991 44 V HN 0.485 nan 8.190 nan 0.000 0.427 45 V N 5.248 125.234 119.914 0.120 0.000 2.407 45 V HA 0.480 4.601 4.120 0.001 0.000 0.291 45 V C -0.275 175.858 176.094 0.066 0.000 1.018 45 V CA -0.524 61.834 62.300 0.096 0.000 0.842 45 V CB 1.954 33.775 31.823 -0.003 0.000 0.996 45 V HN 0.657 nan 8.190 nan 0.000 0.426 46 V N 5.368 125.345 119.914 0.105 0.000 2.398 46 V HA 0.565 4.685 4.120 0.001 0.000 0.286 46 V C -0.015 176.048 176.094 -0.052 0.000 1.026 46 V CA -0.790 61.536 62.300 0.044 0.000 0.868 46 V CB 1.797 33.644 31.823 0.040 0.000 0.982 46 V HN 0.847 nan 8.190 nan 0.000 0.443 47 R N 3.102 123.539 120.500 -0.104 0.000 2.343 47 R HA 0.446 4.786 4.340 0.001 0.000 0.320 47 R C -0.350 175.880 176.300 -0.117 0.000 0.956 47 R CA -0.262 55.739 56.100 -0.164 0.000 0.836 47 R CB 1.058 31.230 30.300 -0.213 0.000 1.151 47 R HN 0.779 nan 8.270 nan 0.000 0.450 48 E N 2.704 122.844 120.200 -0.099 0.000 2.130 48 E HA 0.139 4.489 4.350 0.001 0.000 0.284 48 E C -1.087 175.325 176.600 -0.314 0.000 1.018 48 E CA -0.276 56.007 56.400 -0.195 0.000 0.817 48 E CB 1.170 30.837 29.700 -0.055 0.000 1.078 48 E HN 0.367 nan 8.360 nan 0.000 0.396 49 D N 1.926 122.062 120.400 -0.440 0.000 2.616 49 D HA 0.102 4.743 4.640 0.001 0.000 0.238 49 D C -0.617 175.470 176.300 -0.356 0.000 1.354 49 D CA -0.515 53.291 54.000 -0.323 0.000 0.970 49 D CB 0.607 41.316 40.800 -0.152 0.000 1.369 49 D HN 0.507 nan 8.370 nan 0.000 0.585 50 H N 3.358 122.430 119.070 0.003 0.000 2.550 50 H HA 0.237 4.794 4.556 0.001 0.000 0.304 50 H C 1.395 176.725 175.328 0.004 0.000 1.086 50 H CA -0.165 55.885 56.048 0.003 0.000 1.089 50 H CB 0.653 30.416 29.762 0.002 0.000 1.528 50 H HN 0.273 nan 8.280 nan 0.000 0.539 51 R N 0.964 121.501 120.500 0.062 0.000 2.094 51 R HA -0.008 4.332 4.340 0.001 0.000 0.239 51 R C 0.696 177.024 176.300 0.046 0.000 1.137 51 R CA 1.455 57.582 56.100 0.045 0.000 0.943 51 R CB 0.282 30.594 30.300 0.021 0.000 0.850 51 R HN 0.212 nan 8.270 nan 0.000 0.433 52 A N -0.221 122.624 122.820 0.042 0.000 2.515 52 A HA 0.478 4.799 4.320 0.001 0.000 0.296 52 A C -2.444 175.167 177.584 0.044 0.000 1.094 52 A CA -1.494 50.566 52.037 0.038 0.000 0.718 52 A CB 1.499 20.517 19.000 0.029 0.000 1.307 52 A HN -0.072 nan 8.150 nan 0.000 0.408 53 P HA 0.168 nan 4.420 nan 0.000 0.226 53 P C -0.095 177.227 177.300 0.038 0.000 1.758 53 P CA 0.385 63.510 63.100 0.042 0.000 0.896 53 P CB -0.364 31.355 31.700 0.032 0.000 1.784 54 T N -1.333 113.244 114.554 0.038 0.000 2.926 54 T HA 0.804 5.154 4.350 0.001 0.000 0.289 54 T C -0.538 174.188 174.700 0.044 0.000 1.054 54 T CA -0.817 61.309 62.100 0.042 0.000 1.015 54 T CB 1.577 70.471 68.868 0.044 0.000 1.167 54 T HN 0.028 nan 8.240 nan 0.000 0.526 55 L N -1.393 119.867 121.223 0.061 0.000 2.600 55 L HA 0.938 5.278 4.340 0.001 0.000 0.257 55 L C -1.652 175.286 176.870 0.114 0.000 1.048 55 L CA -1.267 53.616 54.840 0.072 0.000 0.869 55 L CB 1.389 43.491 42.059 0.072 0.000 1.482 55 L HN 0.528 nan 8.230 nan 0.000 0.408 56 V N 0.858 120.847 119.914 0.126 0.000 2.459 56 V HA 0.484 4.604 4.120 0.001 0.000 0.295 56 V C -0.889 175.352 176.094 0.246 0.000 1.029 56 V CA -0.247 62.163 62.300 0.182 0.000 0.874 56 V CB 1.244 33.144 31.823 0.129 0.000 0.985 56 V HN 0.955 nan 8.190 nan 0.000 0.438 57 H N 6.394 125.587 119.070 0.206 0.000 2.708 57 H HA 0.603 5.160 4.556 0.001 0.000 0.320 57 H C -1.350 174.152 175.328 0.291 0.000 0.991 57 H CA -0.721 55.457 56.048 0.217 0.000 1.243 57 H CB 1.266 31.148 29.762 0.200 0.000 1.446 57 H HN 0.598 nan 8.280 nan 0.000 0.502 58 M N 4.975 124.520 119.600 -0.093 0.000 2.528 58 M HA 0.302 4.782 4.480 0.001 0.000 0.321 58 M C -0.798 175.447 176.300 -0.091 0.000 1.153 58 M CA -1.237 54.080 55.300 0.028 0.000 0.951 58 M CB 2.809 35.656 32.600 0.411 0.000 1.705 58 M HN 0.306 nan 8.290 nan 0.000 0.451 59 V N 2.214 122.112 119.914 -0.028 0.000 2.540 59 V HA 0.606 4.726 4.120 0.001 0.000 0.302 59 V C -2.231 173.863 176.094 -0.000 0.000 1.035 59 V CA -0.211 62.082 62.300 -0.012 0.000 0.873 59 V CB 1.605 33.378 31.823 -0.083 0.000 0.992 59 V HN 0.871 nan 8.190 nan 0.000 0.428 60 W N 6.066 127.234 121.300 -0.221 0.000 2.362 60 W HA 0.594 5.254 4.660 0.000 0.000 0.316 60 W C -0.908 175.481 176.519 -0.217 0.000 1.024 60 W CA -0.626 56.624 57.345 -0.159 0.000 1.270 60 W CB 1.125 30.463 29.460 -0.202 0.000 1.273 60 W HN 0.511 nan 8.180 nan 0.000 0.424 61 Y N 2.062 122.381 120.300 0.033 0.000 2.320 61 Y HA 0.306 4.856 4.550 0.000 0.000 0.334 61 Y C 1.202 177.120 175.900 0.031 0.000 1.055 61 Y CA -0.880 57.179 58.100 -0.068 0.000 1.143 61 Y CB 1.172 39.429 38.460 -0.339 0.000 1.193 61 Y HN 0.228 nan 8.280 nan 0.000 0.477 62 R N 3.375 123.968 120.500 0.155 0.000 4.164 62 R HA 0.396 4.736 4.340 0.001 0.000 0.195 62 R C -1.568 174.747 176.300 0.025 0.000 1.712 62 R CA -0.016 56.160 56.100 0.126 0.000 1.457 62 R CB -0.403 29.953 30.300 0.094 0.000 1.387 62 R HN 0.529 nan 8.270 nan 0.000 0.785 63 V N 0.948 120.878 119.914 0.027 0.000 2.950 63 V HA 0.750 4.870 4.120 0.001 0.000 0.295 63 V C -1.004 175.112 176.094 0.037 0.000 1.297 63 V CA -0.099 62.101 62.300 -0.166 0.000 0.962 63 V CB 1.956 33.528 31.823 -0.419 0.000 1.081 63 V HN 0.631 nan 8.190 nan 0.000 0.432 64 G N 2.719 111.536 108.800 0.027 0.000 2.706 64 G HA2 0.480 4.440 3.960 0.001 0.000 0.307 64 G HA3 0.480 4.440 3.960 0.001 0.000 0.307 64 G C 0.710 175.658 174.900 0.079 0.000 1.307 64 G CA 0.376 45.515 45.100 0.064 0.000 0.790 64 G HN 1.641 nan 8.290 nan 0.000 0.503 65 S N -0.707 115.001 115.700 0.013 0.000 2.442 65 S HA -0.189 4.281 4.470 0.001 0.000 0.236 65 S C 2.324 176.947 174.600 0.038 0.000 1.007 65 S CA 2.042 60.233 58.200 -0.015 0.000 0.965 65 S CB -0.585 62.571 63.200 -0.074 0.000 0.773 65 S HN 0.845 nan 8.310 nan 0.000 0.504 66 M N 0.451 120.103 119.600 0.087 0.000 2.630 66 M HA 0.216 4.696 4.480 0.001 0.000 0.254 66 M C 0.530 176.857 176.300 0.045 0.000 1.092 66 M CA 1.262 56.616 55.300 0.090 0.000 1.087 66 M CB -0.198 32.510 32.600 0.181 0.000 1.453 66 M HN -0.046 nan 8.290 nan 0.000 0.509 67 D N 1.161 121.621 120.400 0.100 0.000 2.367 67 D HA 0.084 4.725 4.640 0.001 0.000 0.207 67 D C 0.090 176.633 176.300 0.404 0.000 1.034 67 D CA 0.267 54.359 54.000 0.154 0.000 0.861 67 D CB 0.226 40.980 40.800 -0.078 0.000 0.943 67 D HN 0.629 nan 8.370 nan 0.000 0.515 68 E N 0.813 121.194 120.200 0.302 0.000 2.371 68 E HA 0.234 4.585 4.350 0.001 0.000 0.257 68 E C -0.140 176.572 176.600 0.186 0.000 1.134 68 E CA 0.102 56.634 56.400 0.219 0.000 0.919 68 E CB 0.859 30.513 29.700 -0.076 0.000 1.025 68 E HN -0.181 nan 8.360 nan 0.000 0.438 69 T N 1.348 116.005 114.554 0.172 0.000 2.829 69 T HA 0.166 4.517 4.350 0.001 0.000 0.282 69 T C -0.263 174.503 174.700 0.111 0.000 0.990 69 T CA -0.742 61.444 62.100 0.142 0.000 1.028 69 T CB 1.218 70.178 68.868 0.153 0.000 0.951 69 T HN 0.328 nan 8.240 nan 0.000 0.460 70 T N 2.976 117.598 114.554 0.113 0.000 2.819 70 T HA 0.290 4.640 4.350 0.001 0.000 0.282 70 T C 1.549 176.311 174.700 0.104 0.000 1.013 70 T CA 1.420 63.594 62.100 0.123 0.000 1.159 70 T CB -0.147 68.786 68.868 0.108 0.000 1.007 70 T HN 1.067 nan 8.240 nan 0.000 0.514 71 G N 2.942 111.810 108.800 0.114 0.000 2.254 71 G HA2 -0.251 3.710 3.960 0.001 0.000 0.225 71 G HA3 -0.251 3.710 3.960 0.001 0.000 0.225 71 G C 0.467 175.418 174.900 0.084 0.000 1.003 71 G CA 0.080 45.233 45.100 0.089 0.000 0.622 71 G HN 0.860 nan 8.290 nan 0.000 0.507 72 T N 1.876 116.475 114.554 0.075 0.000 3.697 72 T HA 0.478 4.828 4.350 0.001 0.000 0.260 72 T C 0.376 175.060 174.700 -0.027 0.000 0.998 72 T CA 0.483 62.602 62.100 0.032 0.000 1.128 72 T CB 0.559 69.447 68.868 0.032 0.000 1.082 72 T HN 1.022 nan 8.240 nan 0.000 0.541 73 T N -0.891 113.669 114.554 0.009 0.000 2.868 73 T HA 0.521 4.872 4.350 0.001 0.000 0.292 73 T C 1.527 176.164 174.700 -0.105 0.000 1.028 73 T CA 0.413 62.477 62.100 -0.060 0.000 1.059 73 T CB 1.106 69.948 68.868 -0.043 0.000 0.991 73 T HN 0.678 nan 8.240 nan 0.000 0.531 74 G N 0.233 108.938 108.800 -0.160 0.000 2.148 74 G HA2 -0.306 3.655 3.960 0.001 0.000 0.254 74 G HA3 -0.306 3.655 3.960 0.001 0.000 0.254 74 G C 0.796 175.607 174.900 -0.148 0.000 0.981 74 G CA 0.445 45.472 45.100 -0.121 0.000 0.670 74 G HN 1.264 nan 8.290 nan 0.000 0.528 75 V N 0.296 120.018 119.914 -0.319 0.000 2.427 75 V HA 0.168 4.288 4.120 0.001 0.000 0.248 75 V C 2.904 178.639 176.094 -0.599 0.000 1.051 75 V CA 2.809 64.833 62.300 -0.459 0.000 1.048 75 V CB -0.475 30.959 31.823 -0.647 0.000 0.666 75 V HN 1.236 nan 8.190 nan 0.000 0.456 76 A N -0.945 121.459 122.820 -0.693 0.000 1.930 76 A HA -0.267 4.053 4.320 0.001 0.000 0.217 76 A C 2.262 179.837 177.584 -0.015 0.000 1.175 76 A CA 1.842 53.685 52.037 -0.323 0.000 0.627 76 A CB -1.016 17.954 19.000 -0.051 0.000 0.815 76 A HN 0.839 nan 8.150 nan 0.000 0.443 77 H N -0.282 118.722 119.070 -0.109 0.000 2.363 77 H HA 0.010 4.566 4.556 0.001 0.000 0.301 77 H C 2.236 177.587 175.328 0.039 0.000 1.074 77 H CA 1.293 57.334 56.048 -0.012 0.000 1.354 77 H CB -0.045 29.686 29.762 -0.052 0.000 1.397 77 H HN 0.414 nan 8.280 nan 0.000 0.516 78 A N 1.803 124.542 122.820 -0.135 0.000 1.933 78 A HA -0.122 4.199 4.320 0.001 0.000 0.218 78 A C 2.702 180.280 177.584 -0.009 0.000 1.175 78 A CA 1.126 53.085 52.037 -0.129 0.000 0.628 78 A CB -0.929 18.069 19.000 -0.004 0.000 0.814 78 A HN 0.495 nan 8.150 nan 0.000 0.444 79 L N -0.512 120.712 121.223 0.002 0.000 1.994 79 L HA -0.224 4.116 4.340 0.001 0.000 0.208 79 L C 2.719 179.661 176.870 0.120 0.000 1.071 79 L CA 2.220 57.085 54.840 0.041 0.000 0.745 79 L CB -0.440 41.653 42.059 0.058 0.000 0.892 79 L HN 0.687 nan 8.230 nan 0.000 0.431 80 E N -0.727 119.590 120.200 0.195 0.000 2.136 80 E HA -0.326 4.024 4.350 0.001 0.000 0.202 80 E C 1.960 178.747 176.600 0.311 0.000 1.019 80 E CA 1.824 58.399 56.400 0.293 0.000 0.819 80 E CB -0.234 29.527 29.700 0.101 0.000 0.739 80 E HN 0.635 nan 8.360 nan 0.000 0.458 81 H N -0.887 118.203 119.070 0.035 0.000 2.326 81 H HA -0.073 4.483 4.556 0.001 0.000 0.301 81 H C 2.126 177.545 175.328 0.153 0.000 1.081 81 H CA 1.412 57.501 56.048 0.068 0.000 1.334 81 H CB 0.040 29.725 29.762 -0.127 0.000 1.385 81 H HN 0.274 nan 8.280 nan 0.000 0.504 82 M N 0.144 119.855 119.600 0.185 0.000 2.549 82 M HA -0.091 4.389 4.480 0.001 0.000 0.260 82 M C 1.842 178.129 176.300 -0.021 0.000 1.076 82 M CA 0.665 56.018 55.300 0.088 0.000 1.090 82 M CB -0.549 32.085 32.600 0.058 0.000 1.418 82 M HN 0.267 nan 8.290 nan 0.000 0.486 83 M N -1.440 118.126 119.600 -0.057 0.000 2.557 83 M HA -0.050 4.431 4.480 0.001 0.000 0.259 83 M C 0.859 176.851 176.300 -0.515 0.000 1.086 83 M CA 1.030 56.133 55.300 -0.328 0.000 1.096 83 M CB -0.694 31.644 32.600 -0.436 0.000 1.424 83 M HN 0.126 nan 8.290 nan 0.000 0.488 84 F N -0.393 119.461 119.950 -0.160 0.000 2.693 84 F HA 0.125 4.652 4.527 0.000 0.000 0.303 84 F C 1.459 177.224 175.800 -0.058 0.000 1.097 84 F CA 0.158 58.073 58.000 -0.141 0.000 1.330 84 F CB 0.122 39.053 39.000 -0.113 0.000 1.067 84 F HN -0.108 nan 8.300 nan 0.000 0.565 85 K N 0.633 121.071 120.400 0.063 0.000 2.399 85 K HA 0.440 4.760 4.320 0.001 0.000 0.204 85 K C 0.497 177.100 176.600 0.004 0.000 1.023 85 K CA 0.294 56.610 56.287 0.048 0.000 1.127 85 K CB 0.436 32.966 32.500 0.050 0.000 0.856 85 K HN 0.232 nan 8.250 nan 0.000 0.514 86 G N 1.269 110.056 108.800 -0.022 0.000 2.742 86 G HA2 -0.169 3.791 3.960 0.001 0.000 0.686 86 G HA3 -0.169 3.791 3.960 0.001 0.000 0.686 86 G C -0.226 174.642 174.900 -0.053 0.000 1.220 86 G CA -0.486 44.605 45.100 -0.015 0.000 0.783 86 G HN 0.099 nan 8.290 nan 0.000 0.646 87 T N -1.006 113.534 114.554 -0.023 0.000 2.889 87 T HA 0.646 4.996 4.350 0.001 0.000 0.278 87 T C 1.571 176.265 174.700 -0.010 0.000 0.995 87 T CA 0.322 62.406 62.100 -0.026 0.000 0.966 87 T CB 1.938 70.806 68.868 0.000 0.000 1.237 87 T HN 0.813 nan 8.240 nan 0.000 0.591 88 K N 0.110 120.506 120.400 -0.007 0.000 2.009 88 K HA -0.198 4.122 4.320 0.001 0.000 0.210 88 K C 1.275 177.878 176.600 0.004 0.000 1.049 88 K CA 2.227 58.513 56.287 -0.002 0.000 0.929 88 K CB -0.456 32.044 32.500 0.001 0.000 0.714 88 K HN 0.578 nan 8.250 nan 0.000 0.440 89 D N -0.119 120.286 120.400 0.009 0.000 2.149 89 D HA -0.020 4.621 4.640 0.001 0.000 0.206 89 D C 0.111 176.420 176.300 0.015 0.000 0.967 89 D CA 0.613 54.619 54.000 0.009 0.000 0.848 89 D CB 0.317 41.122 40.800 0.008 0.000 0.998 89 D HN -0.054 nan 8.370 nan 0.000 0.474 90 V N 1.511 121.441 119.914 0.026 0.000 2.294 90 V HA 0.552 4.672 4.120 0.001 0.000 0.272 90 V C 0.980 177.103 176.094 0.048 0.000 1.027 90 V CA -0.672 61.654 62.300 0.042 0.000 0.823 90 V CB 0.818 32.684 31.823 0.071 0.000 1.030 90 V HN 0.052 nan 8.190 nan 0.000 0.457 91 G N 5.847 114.671 108.800 0.040 0.000 2.553 91 G HA2 0.436 4.396 3.960 0.001 0.000 0.278 91 G HA3 0.436 4.396 3.960 0.001 0.000 0.278 91 G C -2.713 172.216 174.900 0.050 0.000 1.349 91 G CA -1.444 43.676 45.100 0.033 0.000 1.037 91 G HN 0.529 nan 8.290 nan 0.000 0.508 92 P HA 0.206 nan 4.420 nan 0.000 0.266 92 P C 0.841 178.181 177.300 0.067 0.000 1.215 92 P CA 1.443 64.574 63.100 0.051 0.000 0.763 92 P CB 0.859 32.580 31.700 0.034 0.000 0.806 93 G N 3.286 112.147 108.800 0.102 0.000 2.253 93 G HA2 -0.283 3.678 3.960 0.001 0.000 0.251 93 G HA3 -0.283 3.678 3.960 0.001 0.000 0.251 93 G C 1.201 176.180 174.900 0.131 0.000 0.998 93 G CA -0.090 45.076 45.100 0.110 0.000 0.621 93 G HN 0.470 nan 8.290 nan 0.000 0.524 94 E N -0.280 119.993 120.200 0.121 0.000 2.107 94 E HA 0.021 4.371 4.350 0.001 0.000 0.191 94 E C 1.980 178.658 176.600 0.130 0.000 0.982 94 E CA 0.978 57.436 56.400 0.097 0.000 0.809 94 E CB -0.237 29.502 29.700 0.065 0.000 0.756 94 E HN 0.612 nan 8.360 nan 0.000 0.459 95 F N 1.941 121.920 119.950 0.049 0.000 2.043 95 F HA -0.295 4.233 4.527 0.001 0.000 0.297 95 F C 2.737 178.594 175.800 0.095 0.000 1.121 95 F CA 2.041 60.074 58.000 0.055 0.000 1.199 95 F CB -0.546 38.472 39.000 0.030 0.000 0.968 95 F HN -0.081 nan 8.300 nan 0.000 0.478 96 S N -0.552 115.448 115.700 0.499 0.000 2.382 96 S HA -0.229 4.241 4.470 0.001 0.000 0.228 96 S C 2.158 176.831 174.600 0.122 0.000 1.027 96 S CA 1.519 59.931 58.200 0.354 0.000 0.991 96 S CB -0.464 62.920 63.200 0.307 0.000 0.823 96 S HN 0.468 nan 8.310 nan 0.000 0.469 97 K N 0.229 120.680 120.400 0.086 0.000 2.097 97 K HA 0.026 4.346 4.320 0.001 0.000 0.205 97 K C 2.367 178.964 176.600 -0.006 0.000 1.050 97 K CA 0.897 57.204 56.287 0.033 0.000 0.938 97 K CB -0.027 32.492 32.500 0.032 0.000 0.718 97 K HN 0.250 nan 8.250 nan 0.000 0.442 98 R N -0.135 120.341 120.500 -0.040 0.000 2.090 98 R HA -0.041 4.300 4.340 0.001 0.000 0.228 98 R C 2.223 178.459 176.300 -0.106 0.000 1.110 98 R CA 1.032 57.084 56.100 -0.081 0.000 0.973 98 R CB -0.181 30.049 30.300 -0.116 0.000 0.869 98 R HN 0.020 nan 8.270 nan 0.000 0.440 99 V N 1.198 121.021 119.914 -0.152 0.000 2.332 99 V HA -0.261 3.860 4.120 0.001 0.000 0.248 99 V C 2.417 178.491 176.094 -0.032 0.000 1.055 99 V CA 2.055 64.285 62.300 -0.117 0.000 1.038 99 V CB -0.659 31.092 31.823 -0.121 0.000 0.651 99 V HN 0.408 nan 8.190 nan 0.000 0.450 100 A N -0.175 122.640 122.820 -0.008 0.000 1.969 100 A HA -0.040 4.280 4.320 0.001 0.000 0.218 100 A C 2.335 179.918 177.584 -0.000 0.000 1.169 100 A CA 1.785 53.827 52.037 0.009 0.000 0.635 100 A CB -0.598 18.411 19.000 0.016 0.000 0.810 100 A HN 0.580 nan 8.150 nan 0.000 0.445 101 A N -0.493 122.319 122.820 -0.012 0.000 2.119 101 A HA 0.069 4.389 4.320 0.001 0.000 0.217 101 A C 1.958 179.533 177.584 -0.014 0.000 1.153 101 A CA 1.302 53.332 52.037 -0.013 0.000 0.692 101 A CB -0.562 18.428 19.000 -0.018 0.000 0.799 101 A HN 0.559 nan 8.150 nan 0.000 0.458 102 M N -1.182 118.407 119.600 -0.019 0.000 2.561 102 M HA 0.235 4.716 4.480 0.001 0.000 0.238 102 M C 1.191 177.491 176.300 0.001 0.000 1.131 102 M CA 0.777 56.069 55.300 -0.014 0.000 1.046 102 M CB 0.160 32.745 32.600 -0.025 0.000 1.532 102 M HN 0.515 nan 8.290 nan 0.000 0.497 103 G N 0.889 109.693 108.800 0.007 0.000 2.142 103 G HA2 -0.145 3.815 3.960 0.001 0.000 0.225 103 G HA3 -0.145 3.815 3.960 0.001 0.000 0.225 103 G C 0.110 175.030 174.900 0.032 0.000 1.015 103 G CA -0.278 44.833 45.100 0.018 0.000 0.716 103 G HN 0.664 nan 8.290 nan 0.000 0.508 104 G N -0.846 107.974 108.800 0.034 0.000 2.437 104 G HA2 0.677 4.637 3.960 0.001 0.000 0.319 104 G HA3 0.677 4.637 3.960 0.001 0.000 0.319 104 G C -0.071 174.873 174.900 0.074 0.000 1.158 104 G CA -0.869 44.267 45.100 0.060 0.000 0.899 104 G HN 0.445 nan 8.290 nan 0.000 0.502 105 R N 0.403 120.969 120.500 0.110 0.000 2.532 105 R HA 0.466 4.806 4.340 0.001 0.000 0.295 105 R C -0.866 175.519 176.300 0.141 0.000 0.968 105 R CA -0.634 55.539 56.100 0.122 0.000 0.916 105 R CB 1.703 32.096 30.300 0.155 0.000 1.124 105 R HN 0.746 nan 8.270 nan 0.000 0.463 106 D N 1.587 122.041 120.400 0.089 0.000 2.934 106 D HA 0.332 4.973 4.640 0.001 0.000 0.230 106 D C -1.141 175.093 176.300 -0.109 0.000 1.204 106 D CA -0.599 53.431 54.000 0.050 0.000 0.873 106 D CB 2.000 42.964 40.800 0.272 0.000 1.645 106 D HN 0.399 nan 8.370 nan 0.000 0.502 107 N N -0.180 118.246 118.700 -0.456 0.000 3.277 107 N HA 0.776 5.516 4.740 0.001 0.000 0.278 107 N C -1.983 173.310 175.510 -0.362 0.000 1.544 107 N CA -0.235 52.563 53.050 -0.420 0.000 0.869 107 N CB 1.999 40.289 38.487 -0.329 0.000 1.584 107 N HN 0.766 nan 8.380 nan 0.000 0.564 108 A N -0.360 122.418 122.820 -0.069 0.000 2.588 108 A HA 0.845 5.165 4.320 0.001 0.000 0.290 108 A C -1.906 175.760 177.584 0.136 0.000 1.136 108 A CA -0.489 51.514 52.037 -0.056 0.000 0.681 108 A CB 0.699 19.642 19.000 -0.094 0.000 1.282 108 A HN 0.814 nan 8.150 nan 0.000 0.421 109 F N -2.587 117.295 119.950 -0.113 0.000 2.719 109 F HA 0.770 5.298 4.527 0.000 0.000 0.309 109 F C -0.781 174.970 175.800 -0.080 0.000 1.138 109 F CA -0.639 57.340 58.000 -0.035 0.000 0.943 109 F CB 1.344 40.365 39.000 0.035 0.000 1.304 109 F HN 0.438 nan 8.300 nan 0.000 0.445 110 T N 1.164 115.818 114.554 0.167 0.000 2.841 110 T HA 0.657 5.008 4.350 0.001 0.000 0.285 110 T C -0.371 174.306 174.700 -0.038 0.000 0.991 110 T CA -0.509 61.605 62.100 0.023 0.000 0.966 110 T CB 1.658 70.577 68.868 0.086 0.000 0.962 110 T HN 0.999 nan 8.240 nan 0.000 0.438 111 T N -0.007 114.385 114.554 -0.270 0.000 2.905 111 T HA 0.471 4.821 4.350 0.001 0.000 0.283 111 T C 1.327 175.848 174.700 -0.298 0.000 1.031 111 T CA -1.086 60.805 62.100 -0.349 0.000 1.002 111 T CB 1.351 69.864 68.868 -0.590 0.000 1.200 111 T HN 0.459 nan 8.240 nan 0.000 0.560 112 R N 0.194 120.546 120.500 -0.246 0.000 2.154 112 R HA -0.112 4.229 4.340 0.001 0.000 0.248 112 R C 1.142 177.423 176.300 -0.032 0.000 1.155 112 R CA 1.960 57.989 56.100 -0.119 0.000 0.979 112 R CB -0.354 29.831 30.300 -0.191 0.000 0.869 112 R HN 0.618 nan 8.270 nan 0.000 0.452 113 D N -1.317 119.007 120.400 -0.127 0.000 2.338 113 D HA 0.053 4.693 4.640 0.001 0.000 0.208 113 D C 0.011 176.390 176.300 0.131 0.000 0.997 113 D CA 0.714 54.745 54.000 0.050 0.000 0.880 113 D CB 0.458 41.356 40.800 0.163 0.000 0.980 113 D HN 0.263 nan 8.370 nan 0.000 0.509 114 Y N -2.636 117.723 120.300 0.098 0.000 2.638 114 Y HA 0.598 5.148 4.550 0.001 0.000 0.335 114 Y C -1.093 174.807 175.900 0.001 0.000 1.155 114 Y CA -1.290 56.861 58.100 0.086 0.000 1.046 114 Y CB 0.872 39.444 38.460 0.186 0.000 1.303 114 Y HN -0.413 nan 8.280 nan 0.000 0.460 115 T N 1.979 116.664 114.554 0.218 0.000 2.786 115 T HA 0.797 5.147 4.350 0.001 0.000 0.283 115 T C -0.626 173.923 174.700 -0.252 0.000 0.992 115 T CA -0.460 61.626 62.100 -0.023 0.000 0.954 115 T CB 1.116 70.036 68.868 0.086 0.000 0.934 115 T HN 0.943 nan 8.240 nan 0.000 0.440 116 A N 3.371 125.711 122.820 -0.800 0.000 2.330 116 A HA 0.817 5.137 4.320 0.001 0.000 0.327 116 A C -1.477 175.488 177.584 -1.033 0.000 1.155 116 A CA -0.758 50.559 52.037 -1.200 0.000 0.803 116 A CB 0.766 18.418 19.000 -2.247 0.000 1.208 116 A HN 0.839 nan 8.150 nan 0.000 0.477 117 Y N 1.094 121.168 120.300 -0.376 0.000 2.361 117 Y HA 0.546 5.096 4.550 0.000 0.000 0.337 117 Y C -0.405 175.491 175.900 -0.006 0.000 0.965 117 Y CA -0.506 57.505 58.100 -0.147 0.000 1.091 117 Y CB 1.736 40.145 38.460 -0.086 0.000 1.182 117 Y HN 0.748 nan 8.280 nan 0.000 0.450 118 Y N -0.301 120.094 120.300 0.158 0.000 2.545 118 Y HA 0.868 5.418 4.550 0.000 0.000 0.348 118 Y C -1.558 174.516 175.900 0.290 0.000 1.002 118 Y CA -1.437 56.773 58.100 0.183 0.000 1.039 118 Y CB 1.720 40.276 38.460 0.160 0.000 1.271 118 Y HN 0.489 nan 8.280 nan 0.000 0.467 119 Q N 1.914 121.994 119.800 0.465 0.000 2.356 119 Q HA 0.402 4.743 4.340 0.001 0.000 0.270 119 Q C -1.568 174.664 176.000 0.388 0.000 1.058 119 Q CA -0.828 55.205 55.803 0.383 0.000 0.802 119 Q CB 2.659 31.601 28.738 0.340 0.000 1.303 119 Q HN 0.735 nan 8.270 nan 0.000 0.444 120 Q N 1.445 121.439 119.800 0.322 0.000 2.347 120 Q HA 0.736 5.076 4.340 0.001 0.000 0.262 120 Q C -1.493 174.603 176.000 0.160 0.000 0.980 120 Q CA -0.474 55.477 55.803 0.246 0.000 0.867 120 Q CB 1.182 30.070 28.738 0.251 0.000 1.242 120 Q HN 0.536 nan 8.270 nan 0.000 0.453 121 V N 5.411 125.402 119.914 0.130 0.000 3.087 121 V HA 0.518 4.638 4.120 0.001 0.000 0.306 121 V C -2.496 173.636 176.094 0.064 0.000 1.187 121 V CA -2.112 60.240 62.300 0.087 0.000 0.999 121 V CB 2.739 34.609 31.823 0.079 0.000 1.049 121 V HN 0.757 nan 8.190 nan 0.000 0.431 122 P HA 0.162 nan 4.420 nan 0.000 0.271 122 P C 0.659 177.977 177.300 0.029 0.000 1.216 122 P CA 0.008 63.128 63.100 0.034 0.000 0.776 122 P CB 0.685 32.399 31.700 0.023 0.000 0.881 123 S N 0.819 116.537 115.700 0.031 0.000 2.442 123 S HA -0.159 4.311 4.470 0.001 0.000 0.236 123 S C 1.566 176.174 174.600 0.014 0.000 1.007 123 S CA 1.331 59.548 58.200 0.029 0.000 0.965 123 S CB -1.252 61.970 63.200 0.036 0.000 0.773 123 S HN 0.526 nan 8.310 nan 0.000 0.504 124 S N 0.633 116.338 115.700 0.008 0.000 2.660 124 S HA 0.225 4.695 4.470 0.001 0.000 0.223 124 S C 1.244 175.837 174.600 -0.012 0.000 0.963 124 S CA -0.407 57.791 58.200 -0.002 0.000 0.932 124 S CB -0.132 63.066 63.200 -0.002 0.000 0.775 124 S HN 0.323 nan 8.310 nan 0.000 0.531 125 R N 0.042 120.534 120.500 -0.012 0.000 2.508 125 R HA 0.401 4.741 4.340 0.001 0.000 0.300 125 R C 1.292 177.563 176.300 -0.048 0.000 0.970 125 R CA -0.199 55.885 56.100 -0.028 0.000 1.102 125 R CB -0.823 29.464 30.300 -0.022 0.000 1.246 125 R HN 0.404 nan 8.270 nan 0.000 0.539 126 L N 1.022 122.220 121.223 -0.042 0.000 1.989 126 L HA -0.175 4.165 4.340 0.001 0.000 0.211 126 L C 2.250 179.053 176.870 -0.112 0.000 1.071 126 L CA 2.310 57.104 54.840 -0.077 0.000 0.749 126 L CB -0.834 41.205 42.059 -0.034 0.000 0.890 126 L HN 0.209 nan 8.230 nan 0.000 0.431 127 S N -0.695 114.962 115.700 -0.071 0.000 2.399 127 S HA -0.346 4.125 4.470 0.001 0.000 0.235 127 S C 1.651 176.193 174.600 -0.097 0.000 1.063 127 S CA 2.271 60.429 58.200 -0.070 0.000 1.070 127 S CB -0.814 62.356 63.200 -0.049 0.000 0.904 127 S HN 0.706 nan 8.310 nan 0.000 0.456 128 D N 0.460 120.801 120.400 -0.097 0.000 2.084 128 D HA -0.085 4.555 4.640 0.001 0.000 0.194 128 D C 2.203 178.417 176.300 -0.144 0.000 0.990 128 D CA 1.857 55.792 54.000 -0.108 0.000 0.826 128 D CB -0.328 40.416 40.800 -0.094 0.000 0.971 128 D HN 0.523 nan 8.370 nan 0.000 0.453 129 V N -1.530 118.282 119.914 -0.170 0.000 2.591 129 V HA -0.113 4.007 4.120 0.001 0.000 0.249 129 V C 2.014 177.990 176.094 -0.197 0.000 1.053 129 V CA 0.983 63.178 62.300 -0.175 0.000 1.068 129 V CB -0.570 31.186 31.823 -0.111 0.000 0.689 129 V HN 0.156 nan 8.190 nan 0.000 0.462 130 M N 1.276 120.685 119.600 -0.319 0.000 2.117 130 M HA -0.030 4.450 4.480 0.001 0.000 0.262 130 M C 2.354 178.472 176.300 -0.303 0.000 1.065 130 M CA 2.202 57.360 55.300 -0.237 0.000 1.114 130 M CB -0.961 31.566 32.600 -0.121 0.000 1.361 130 M HN 0.577 nan 8.290 nan 0.000 0.408 131 G N 0.431 109.108 108.800 -0.205 0.000 2.446 131 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 131 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 131 G C 1.309 176.144 174.900 -0.108 0.000 1.168 131 G CA 0.671 45.672 45.100 -0.166 0.000 0.771 131 G HN 0.226 nan 8.290 nan 0.000 0.551 132 L N 0.498 121.684 121.223 -0.062 0.000 2.056 132 L HA 0.061 4.401 4.340 0.001 0.000 0.207 132 L C 2.757 179.777 176.870 0.250 0.000 1.078 132 L CA 1.243 56.108 54.840 0.042 0.000 0.749 132 L CB -0.699 41.254 42.059 -0.176 0.000 0.901 132 L HN 0.135 nan 8.230 nan 0.000 0.433 133 E N -0.517 119.848 120.200 0.275 0.000 2.106 133 E HA -0.123 4.227 4.350 0.001 0.000 0.192 133 E C 2.261 178.965 176.600 0.174 0.000 0.984 133 E CA 1.190 57.787 56.400 0.327 0.000 0.806 133 E CB -0.183 29.849 29.700 0.553 0.000 0.750 133 E HN 0.419 nan 8.360 nan 0.000 0.458 134 A N 1.515 124.255 122.820 -0.133 0.000 1.883 134 A HA -0.247 4.073 4.320 0.001 0.000 0.217 134 A C 2.064 179.650 177.584 0.003 0.000 1.186 134 A CA 2.118 54.031 52.037 -0.208 0.000 0.624 134 A CB -0.695 18.012 19.000 -0.488 0.000 0.822 134 A HN 0.268 nan 8.150 nan 0.000 0.444 135 D N 0.019 120.423 120.400 0.007 0.000 2.104 135 D HA -0.216 4.424 4.640 0.001 0.000 0.194 135 D C 2.048 178.401 176.300 0.087 0.000 0.994 135 D CA 1.680 55.707 54.000 0.045 0.000 0.830 135 D CB -0.230 40.592 40.800 0.036 0.000 0.959 135 D HN 0.607 nan 8.370 nan 0.000 0.452 136 R N -0.287 120.271 120.500 0.097 0.000 2.313 136 R HA 0.107 4.447 4.340 0.001 0.000 0.199 136 R C 2.108 178.524 176.300 0.192 0.000 0.958 136 R CA 0.462 56.604 56.100 0.070 0.000 1.047 136 R CB -0.480 29.772 30.300 -0.080 0.000 0.955 136 R HN 0.272 nan 8.270 nan 0.000 0.481 137 M N -0.107 119.632 119.600 0.233 0.000 2.419 137 M HA 0.095 4.575 4.480 0.001 0.000 0.264 137 M C 1.506 177.967 176.300 0.268 0.000 1.082 137 M CA 1.656 57.145 55.300 0.316 0.000 1.119 137 M CB 0.243 33.036 32.600 0.322 0.000 1.398 137 M HN 0.407 nan 8.290 nan 0.000 0.453 138 A N -0.541 122.428 122.820 0.249 0.000 1.975 138 A HA 0.208 4.529 4.320 0.001 0.000 0.197 138 A C 1.033 178.777 177.584 0.267 0.000 1.537 138 A CA 0.099 52.262 52.037 0.210 0.000 0.972 138 A CB -0.045 19.028 19.000 0.123 0.000 1.019 138 A HN 0.552 nan 8.150 nan 0.000 0.488 139 N N -0.097 118.715 118.700 0.186 0.000 2.273 139 N HA 0.285 5.025 4.740 0.001 0.000 0.231 139 N C -0.490 175.024 175.510 0.006 0.000 1.134 139 N CA -0.284 52.824 53.050 0.095 0.000 0.856 139 N CB 0.660 39.181 38.487 0.055 0.000 1.068 139 N HN 0.345 nan 8.380 nan 0.000 0.510 140 L N 1.880 123.056 121.223 -0.078 0.000 2.462 140 L HA 0.146 4.486 4.340 0.001 0.000 0.272 140 L C -0.190 176.496 176.870 -0.307 0.000 1.166 140 L CA 0.111 54.757 54.840 -0.322 0.000 0.880 140 L CB 0.640 42.236 42.059 -0.772 0.000 1.142 140 L HN -0.090 nan 8.230 nan 0.000 0.473 141 V N 7.050 126.847 119.914 -0.195 0.000 2.398 141 V HA 0.553 4.673 4.120 0.001 0.000 0.286 141 V C -0.821 175.183 176.094 -0.150 0.000 1.026 141 V CA -0.520 61.692 62.300 -0.147 0.000 0.868 141 V CB 1.915 33.693 31.823 -0.075 0.000 0.982 141 V HN 0.663 nan 8.190 nan 0.000 0.443 142 V N 5.839 125.663 119.914 -0.150 0.000 2.350 142 V HA 0.548 4.669 4.120 0.001 0.000 0.276 142 V C -0.232 175.824 176.094 -0.063 0.000 1.028 142 V CA -0.236 61.998 62.300 -0.111 0.000 0.860 142 V CB 1.272 33.009 31.823 -0.143 0.000 0.990 142 V HN 1.112 nan 8.190 nan 0.000 0.453 143 D N 4.588 124.979 120.400 -0.016 0.000 2.304 143 D HA 0.255 4.895 4.640 0.001 0.000 0.250 143 D C 0.735 177.064 176.300 0.049 0.000 1.107 143 D CA -0.164 53.841 54.000 0.009 0.000 0.885 143 D CB 1.618 42.431 40.800 0.021 0.000 1.192 143 D HN 0.683 nan 8.370 nan 0.000 0.436 144 D N 1.998 122.418 120.400 0.034 0.000 2.097 144 D HA -0.149 4.491 4.640 0.001 0.000 0.195 144 D C 1.516 177.895 176.300 0.131 0.000 0.989 144 D CA 0.966 55.010 54.000 0.072 0.000 0.827 144 D CB 0.161 40.981 40.800 0.033 0.000 0.966 144 D HN 0.481 nan 8.370 nan 0.000 0.456 145 E N 0.297 120.544 120.200 0.078 0.000 2.051 145 E HA -0.092 4.258 4.350 0.001 0.000 0.192 145 E C 2.452 179.092 176.600 0.067 0.000 0.991 145 E CA 0.311 56.749 56.400 0.064 0.000 0.799 145 E CB -0.335 29.387 29.700 0.036 0.000 0.748 145 E HN 0.336 nan 8.360 nan 0.000 0.449 146 L N 0.039 121.305 121.223 0.072 0.000 2.191 146 L HA -0.161 4.179 4.340 0.001 0.000 0.212 146 L C 2.406 179.328 176.870 0.085 0.000 1.103 146 L CA 0.701 55.578 54.840 0.062 0.000 0.769 146 L CB -0.330 41.762 42.059 0.056 0.000 0.908 146 L HN 0.082 nan 8.230 nan 0.000 0.438 147 F N 1.022 120.962 119.950 -0.018 0.000 2.113 147 F HA -0.206 4.321 4.527 0.000 0.000 0.297 147 F C 2.417 178.205 175.800 -0.021 0.000 1.103 147 F CA 1.567 59.553 58.000 -0.023 0.000 1.248 147 F CB -0.119 38.865 39.000 -0.027 0.000 0.999 147 F HN -0.173 nan 8.300 nan 0.000 0.475 148 K N 0.314 120.696 120.400 -0.030 0.000 2.113 148 K HA -0.214 4.106 4.320 0.001 0.000 0.208 148 K C 2.019 178.506 176.600 -0.189 0.000 1.047 148 K CA 2.008 58.217 56.287 -0.130 0.000 0.928 148 K CB -0.161 32.350 32.500 0.017 0.000 0.716 148 K HN 0.278 nan 8.250 nan 0.000 0.446 149 K N 0.274 120.601 120.400 -0.123 0.000 2.103 149 K HA -0.137 4.184 4.320 0.001 0.000 0.204 149 K C 2.014 178.526 176.600 -0.147 0.000 1.052 149 K CA 1.093 57.316 56.287 -0.106 0.000 0.945 149 K CB 0.072 32.540 32.500 -0.054 0.000 0.722 149 K HN 0.012 nan 8.250 nan 0.000 0.443 150 E N 1.018 121.105 120.200 -0.188 0.000 2.208 150 E HA -0.079 4.271 4.350 0.001 0.000 0.193 150 E C 1.653 178.075 176.600 -0.297 0.000 0.988 150 E CA 0.626 56.919 56.400 -0.180 0.000 0.828 150 E CB 0.066 29.706 29.700 -0.101 0.000 0.763 150 E HN 0.089 nan 8.360 nan 0.000 0.478 151 I N 0.535 120.820 120.570 -0.476 0.000 2.252 151 I HA -0.194 3.977 4.170 0.001 0.000 0.245 151 I C 1.898 177.868 176.117 -0.245 0.000 1.102 151 I CA 1.132 62.165 61.300 -0.445 0.000 1.385 151 I CB -0.853 36.773 38.000 -0.622 0.000 1.064 151 I HN 0.207 nan 8.210 nan 0.000 0.414 152 Q N 0.158 119.839 119.800 -0.197 0.000 2.297 152 Q HA -0.113 4.228 4.340 0.001 0.000 0.208 152 Q C 2.203 178.146 176.000 -0.094 0.000 0.981 152 Q CA 0.980 56.712 55.803 -0.118 0.000 0.876 152 Q CB -0.318 28.365 28.738 -0.093 0.000 0.921 152 Q HN 0.348 nan 8.270 nan 0.000 0.446 153 V N -0.506 119.342 119.914 -0.109 0.000 2.446 153 V HA -0.160 3.960 4.120 0.001 0.000 0.244 153 V C 1.951 178.001 176.094 -0.074 0.000 1.039 153 V CA 1.138 63.394 62.300 -0.073 0.000 1.045 153 V CB -0.357 31.439 31.823 -0.044 0.000 0.681 153 V HN 0.300 nan 8.190 nan 0.000 0.459 154 I N 0.895 121.370 120.570 -0.159 0.000 2.127 154 I HA -0.282 3.888 4.170 0.001 0.000 0.241 154 I C 2.748 178.838 176.117 -0.045 0.000 1.075 154 I CA 1.684 62.899 61.300 -0.141 0.000 1.334 154 I CB -0.677 37.190 38.000 -0.222 0.000 1.040 154 I HN 0.283 nan 8.210 nan 0.000 0.405 155 A N 0.374 123.158 122.820 -0.060 0.000 1.958 155 A HA -0.261 4.059 4.320 0.001 0.000 0.221 155 A C 2.226 179.812 177.584 0.003 0.000 1.178 155 A CA 1.943 53.964 52.037 -0.026 0.000 0.642 155 A CB -0.545 18.434 19.000 -0.035 0.000 0.816 155 A HN 0.446 nan 8.150 nan 0.000 0.453 156 E N -0.708 119.492 120.200 0.000 0.000 2.107 156 E HA -0.173 4.178 4.350 0.001 0.000 0.191 156 E C 1.953 178.604 176.600 0.084 0.000 0.982 156 E CA 1.079 57.496 56.400 0.028 0.000 0.809 156 E CB -0.334 29.362 29.700 -0.007 0.000 0.756 156 E HN 0.860 nan 8.360 nan 0.000 0.459 157 E N 1.099 121.346 120.200 0.079 0.000 2.153 157 E HA -0.203 4.148 4.350 0.001 0.000 0.194 157 E C 2.216 178.895 176.600 0.132 0.000 0.988 157 E CA 0.724 57.215 56.400 0.152 0.000 0.811 157 E CB 0.072 29.868 29.700 0.160 0.000 0.746 157 E HN 0.043 nan 8.360 nan 0.000 0.466 158 R N 0.347 120.880 120.500 0.055 0.000 2.075 158 R HA -0.083 4.257 4.340 0.001 0.000 0.232 158 R C 2.363 178.692 176.300 0.047 0.000 1.126 158 R CA 1.205 57.316 56.100 0.019 0.000 0.963 158 R CB -0.001 30.296 30.300 -0.005 0.000 0.858 158 R HN 0.041 nan 8.270 nan 0.000 0.435 159 R N -1.000 119.546 120.500 0.076 0.000 2.120 159 R HA -0.186 4.154 4.340 0.001 0.000 0.234 159 R C 1.806 178.183 176.300 0.129 0.000 1.123 159 R CA 1.704 57.855 56.100 0.084 0.000 0.975 159 R CB -0.294 30.054 30.300 0.080 0.000 0.866 159 R HN 0.383 nan 8.270 nan 0.000 0.446 160 W N 0.835 122.118 121.300 -0.029 0.000 2.523 160 W HA 0.018 4.679 4.660 0.001 0.000 0.278 160 W C 1.630 178.125 176.519 -0.040 0.000 1.236 160 W CA 0.804 58.132 57.345 -0.029 0.000 1.306 160 W CB 0.245 29.691 29.460 -0.023 0.000 1.101 160 W HN -0.172 nan 8.180 nan 0.000 0.577 161 R N -1.197 119.262 120.500 -0.068 0.000 2.206 161 R HA 0.154 4.494 4.340 0.001 0.000 0.198 161 R C 1.366 177.545 176.300 -0.201 0.000 0.986 161 R CA 1.554 57.506 56.100 -0.246 0.000 1.029 161 R CB 0.181 30.417 30.300 -0.106 0.000 0.966 161 R HN 0.100 nan 8.270 nan 0.000 0.487 162 T N -0.350 114.135 114.554 -0.114 0.000 3.361 162 T HA 0.031 4.381 4.350 0.001 0.000 0.241 162 T C 0.803 175.470 174.700 -0.056 0.000 0.998 162 T CA -0.038 62.008 62.100 -0.089 0.000 1.215 162 T CB -0.181 68.647 68.868 -0.066 0.000 1.196 162 T HN -0.074 nan 8.240 nan 0.000 0.376 163 D N 2.165 122.554 120.400 -0.019 0.000 2.133 163 D HA -0.101 4.539 4.640 0.001 0.000 0.195 163 D C 1.188 177.480 176.300 -0.014 0.000 0.997 163 D CA 1.220 55.221 54.000 0.001 0.000 0.840 163 D CB -0.228 40.585 40.800 0.022 0.000 0.947 163 D HN 0.283 nan 8.370 nan 0.000 0.452 164 D N -0.178 120.206 120.400 -0.027 0.000 2.339 164 D HA 0.068 4.708 4.640 0.001 0.000 0.217 164 D C -0.035 176.216 176.300 -0.082 0.000 1.050 164 D CA 0.214 54.193 54.000 -0.035 0.000 0.856 164 D CB 0.342 41.139 40.800 -0.005 0.000 0.922 164 D HN 0.145 nan 8.370 nan 0.000 0.518 165 K N 1.466 121.797 120.400 -0.115 0.000 2.449 165 K HA 0.190 4.510 4.320 0.001 0.000 0.257 165 K C -1.789 174.733 176.600 -0.130 0.000 0.989 165 K CA -1.651 54.545 56.287 -0.151 0.000 0.916 165 K CB 2.702 35.067 32.500 -0.225 0.000 1.136 165 K HN -0.188 nan 8.250 nan 0.000 0.439 166 P HA -0.234 nan 4.420 nan 0.000 0.218 166 P C 1.045 178.249 177.300 -0.161 0.000 1.148 166 P CA 1.131 64.171 63.100 -0.100 0.000 0.822 166 P CB 0.297 31.950 31.700 -0.078 0.000 0.784 167 R N 0.462 120.797 120.500 -0.274 0.000 2.075 167 R HA -0.051 4.289 4.340 0.001 0.000 0.232 167 R C 2.138 178.286 176.300 -0.254 0.000 1.126 167 R CA 1.723 57.534 56.100 -0.482 0.000 0.963 167 R CB -0.499 29.424 30.300 -0.628 0.000 0.858 167 R HN 0.097 nan 8.270 nan 0.000 0.435 168 S N 1.036 116.628 115.700 -0.179 0.000 2.382 168 S HA -0.056 4.415 4.470 0.001 0.000 0.228 168 S C 1.718 176.308 174.600 -0.018 0.000 1.027 168 S CA 0.855 58.995 58.200 -0.100 0.000 0.991 168 S CB -0.099 63.016 63.200 -0.141 0.000 0.823 168 S HN 0.206 nan 8.310 nan 0.000 0.469 169 K N 1.783 122.165 120.400 -0.030 0.000 2.209 169 K HA 0.139 4.460 4.320 0.001 0.000 0.204 169 K C 2.098 178.729 176.600 0.052 0.000 1.048 169 K CA 1.119 57.417 56.287 0.018 0.000 0.940 169 K CB -0.706 31.798 32.500 0.006 0.000 0.729 169 K HN 0.379 nan 8.250 nan 0.000 0.451 170 A N -0.666 122.176 122.820 0.037 0.000 1.874 170 A HA -0.137 4.183 4.320 0.001 0.000 0.214 170 A C 2.165 179.839 177.584 0.149 0.000 1.189 170 A CA 0.938 53.036 52.037 0.102 0.000 0.615 170 A CB -0.699 18.383 19.000 0.136 0.000 0.830 170 A HN 0.313 nan 8.150 nan 0.000 0.443 171 Y N 0.459 120.778 120.300 0.031 0.000 2.242 171 Y HA -0.175 4.376 4.550 0.001 0.000 0.291 171 Y C 2.400 178.328 175.900 0.047 0.000 1.137 171 Y CA 2.104 60.236 58.100 0.052 0.000 1.181 171 Y CB -0.104 38.360 38.460 0.007 0.000 0.989 171 Y HN 0.533 nan 8.280 nan 0.000 0.527 172 E N -0.232 120.092 120.200 0.205 0.000 2.058 172 E HA -0.253 4.097 4.350 0.001 0.000 0.194 172 E C 2.282 178.968 176.600 0.143 0.000 0.997 172 E CA 1.267 57.752 56.400 0.142 0.000 0.801 172 E CB -0.312 29.452 29.700 0.107 0.000 0.746 172 E HN 0.510 nan 8.360 nan 0.000 0.450 173 A N 0.983 123.881 122.820 0.130 0.000 1.902 173 A HA -0.176 4.144 4.320 0.001 0.000 0.217 173 A C 2.173 179.798 177.584 0.067 0.000 1.181 173 A CA 1.436 53.543 52.037 0.118 0.000 0.623 173 A CB -0.819 18.233 19.000 0.085 0.000 0.818 173 A HN 0.411 nan 8.150 nan 0.000 0.443 174 L N -0.729 120.493 121.223 -0.001 0.000 1.990 174 L HA -0.237 4.103 4.340 0.001 0.000 0.213 174 L C 2.382 179.228 176.870 -0.039 0.000 1.072 174 L CA 2.493 57.282 54.840 -0.084 0.000 0.755 174 L CB -0.440 41.476 42.059 -0.239 0.000 0.889 174 L HN 0.333 nan 8.230 nan 0.000 0.432 175 M N -0.517 119.067 119.600 -0.027 0.000 2.159 175 M HA -0.102 4.378 4.480 0.001 0.000 0.263 175 M C 2.424 178.872 176.300 0.247 0.000 1.063 175 M CA 1.781 57.161 55.300 0.134 0.000 1.110 175 M CB -1.821 30.846 32.600 0.112 0.000 1.374 175 M HN 0.503 nan 8.290 nan 0.000 0.411 176 A N -0.323 122.626 122.820 0.216 0.000 2.015 176 A HA 0.166 4.486 4.320 0.001 0.000 0.219 176 A C 2.321 180.027 177.584 0.203 0.000 1.163 176 A CA 1.715 53.915 52.037 0.272 0.000 0.646 176 A CB -0.539 18.685 19.000 0.373 0.000 0.806 176 A HN 0.475 nan 8.150 nan 0.000 0.448 177 A N -1.482 121.419 122.820 0.134 0.000 2.014 177 A HA 0.173 4.493 4.320 0.001 0.000 0.210 177 A C 2.263 179.876 177.584 0.048 0.000 1.188 177 A CA 1.351 53.431 52.037 0.073 0.000 0.731 177 A CB -0.540 18.473 19.000 0.022 0.000 0.858 177 A HN 0.484 nan 8.150 nan 0.000 0.464 178 S N -1.430 114.299 115.700 0.048 0.000 2.453 178 S HA 0.049 4.519 4.470 0.001 0.000 0.231 178 S C -0.105 174.483 174.600 -0.020 0.000 1.005 178 S CA 0.403 58.572 58.200 -0.053 0.000 0.949 178 S CB -0.267 62.878 63.200 -0.093 0.000 0.774 178 S HN 0.441 nan 8.310 nan 0.000 0.510 179 Y N 0.690 121.113 120.300 0.204 0.000 2.328 179 Y HA 0.376 4.927 4.550 0.001 0.000 0.333 179 Y C 0.817 176.809 175.900 0.154 0.000 0.958 179 Y CA -0.876 57.341 58.100 0.194 0.000 1.167 179 Y CB 1.722 40.293 38.460 0.184 0.000 1.151 179 Y HN -0.021 nan 8.280 nan 0.000 0.470 180 V N -0.439 119.622 119.914 0.246 0.000 2.951 180 V HA 0.163 4.283 4.120 0.001 0.000 0.255 180 V C 1.127 177.324 176.094 0.172 0.000 1.088 180 V CA 1.798 64.202 62.300 0.173 0.000 1.109 180 V CB 0.009 31.901 31.823 0.115 0.000 0.724 180 V HN 0.784 nan 8.190 nan 0.000 0.471 181 A N -0.957 121.986 122.820 0.205 0.000 1.817 181 A HA 0.281 4.602 4.320 0.001 0.000 0.204 181 A C 0.948 178.619 177.584 0.145 0.000 1.741 181 A CA 0.215 52.343 52.037 0.152 0.000 1.196 181 A CB -0.494 18.574 19.000 0.113 0.000 1.211 181 A HN 0.626 nan 8.150 nan 0.000 0.450 182 H N 1.498 120.630 119.070 0.103 0.000 3.001 182 H HA 0.185 4.741 4.556 0.000 0.000 0.334 182 H C -1.912 173.377 175.328 -0.065 0.000 1.034 182 H CA -0.510 55.522 56.048 -0.025 0.000 1.420 182 H CB 1.058 30.766 29.762 -0.090 0.000 1.405 182 H HN 0.057 nan 8.280 nan 0.000 0.593 183 P HA -0.167 nan 4.420 nan 0.000 0.226 183 P C 0.447 177.830 177.300 0.138 0.000 1.146 183 P CA 1.355 64.411 63.100 -0.074 0.000 0.773 183 P CB -0.009 31.589 31.700 -0.170 0.000 0.772 184 Y N 0.323 120.680 120.300 0.094 0.000 2.639 184 Y HA -0.131 4.420 4.550 0.001 0.000 0.297 184 Y C 2.427 178.243 175.900 -0.140 0.000 1.151 184 Y CA -0.162 57.872 58.100 -0.109 0.000 1.335 184 Y CB -0.199 38.033 38.460 -0.380 0.000 0.994 184 Y HN 0.083 nan 8.280 nan 0.000 0.548 185 R N 0.143 120.712 120.500 0.115 0.000 2.148 185 R HA -0.019 4.321 4.340 0.001 0.000 0.223 185 R C 0.382 176.748 176.300 0.110 0.000 1.088 185 R CA 0.493 56.702 56.100 0.182 0.000 0.985 185 R CB -0.857 29.608 30.300 0.275 0.000 0.880 185 R HN -0.034 nan 8.270 nan 0.000 0.451 186 V N 4.474 124.408 119.914 0.033 0.000 2.488 186 V HA 0.200 4.320 4.120 0.001 0.000 0.277 186 V C -1.875 174.040 176.094 -0.298 0.000 1.046 186 V CA -2.097 60.088 62.300 -0.191 0.000 0.986 186 V CB 1.000 32.744 31.823 -0.133 0.000 0.989 186 V HN 0.212 nan 8.190 nan 0.000 0.475 187 P HA 0.071 nan 4.420 nan 0.000 0.266 187 P C 1.010 178.106 177.300 -0.339 0.000 1.195 187 P CA 0.064 62.928 63.100 -0.394 0.000 0.768 187 P CB 1.080 32.479 31.700 -0.501 0.000 0.838 188 V N 3.814 123.579 119.914 -0.248 0.000 2.407 188 V HA -0.218 3.903 4.120 0.001 0.000 0.248 188 V C 2.323 178.274 176.094 -0.239 0.000 1.055 188 V CA 1.575 63.746 62.300 -0.214 0.000 1.049 188 V CB -0.922 30.788 31.823 -0.188 0.000 0.662 188 V HN 0.570 nan 8.190 nan 0.000 0.455 189 I N -0.405 119.986 120.570 -0.299 0.000 2.830 189 I HA 0.220 4.390 4.170 0.001 0.000 0.263 189 I C 1.049 177.051 176.117 -0.192 0.000 1.230 189 I CA 0.965 62.065 61.300 -0.334 0.000 1.480 189 I CB -0.145 37.639 38.000 -0.361 0.000 1.095 189 I HN 0.529 nan 8.210 nan 0.000 0.455 190 G N -0.198 108.457 108.800 -0.241 0.000 2.712 190 G HA2 -0.245 3.715 3.960 0.001 0.000 0.686 190 G HA3 -0.245 3.715 3.960 0.001 0.000 0.686 190 G C -0.859 173.936 174.900 -0.174 0.000 1.181 190 G CA -0.711 44.263 45.100 -0.210 0.000 0.762 190 G HN 0.287 nan 8.290 nan 0.000 0.641 191 W N 2.234 123.524 121.300 -0.015 0.000 2.223 191 W HA 0.360 5.021 4.660 0.001 0.000 0.334 191 W C 1.831 178.344 176.519 -0.010 0.000 1.334 191 W CA -0.033 57.308 57.345 -0.008 0.000 1.246 191 W CB 0.451 29.912 29.460 0.001 0.000 1.184 191 W HN 0.766 nan 8.180 nan 0.000 0.563 192 M N 3.136 122.888 119.600 0.254 0.000 2.089 192 M HA -0.326 4.155 4.480 0.001 0.000 0.257 192 M C 1.380 177.746 176.300 0.110 0.000 1.071 192 M CA 2.212 57.591 55.300 0.131 0.000 1.096 192 M CB -0.806 31.857 32.600 0.104 0.000 1.330 192 M HN 0.559 nan 8.290 nan 0.000 0.403 193 N N -0.408 118.367 118.700 0.125 0.000 2.104 193 N HA -0.190 4.550 4.740 0.001 0.000 0.190 193 N C 1.164 176.730 175.510 0.093 0.000 1.024 193 N CA 1.429 54.529 53.050 0.084 0.000 0.853 193 N CB -0.196 38.322 38.487 0.052 0.000 1.008 193 N HN 0.437 nan 8.380 nan 0.000 0.424 194 D N 0.673 121.159 120.400 0.143 0.000 2.149 194 D HA -0.019 4.621 4.640 0.001 0.000 0.201 194 D C 1.937 178.285 176.300 0.079 0.000 0.972 194 D CA 0.545 54.617 54.000 0.120 0.000 0.835 194 D CB -0.108 40.791 40.800 0.164 0.000 0.966 194 D HN 0.280 nan 8.370 nan 0.000 0.476 195 I N 0.946 121.556 120.570 0.067 0.000 2.208 195 I HA -0.266 3.904 4.170 0.001 0.000 0.245 195 I C 2.242 178.376 176.117 0.027 0.000 1.097 195 I CA 0.988 62.307 61.300 0.031 0.000 1.363 195 I CB -0.135 37.870 38.000 0.009 0.000 1.051 195 I HN -0.047 nan 8.210 nan 0.000 0.413 196 Q N 0.243 120.063 119.800 0.034 0.000 2.291 196 Q HA -0.106 4.234 4.340 0.001 0.000 0.205 196 Q C 1.421 177.448 176.000 0.045 0.000 0.970 196 Q CA 1.053 56.871 55.803 0.026 0.000 0.876 196 Q CB -0.381 28.372 28.738 0.025 0.000 0.935 196 Q HN 0.522 nan 8.270 nan 0.000 0.455 197 N N -0.412 118.324 118.700 0.060 0.000 2.299 197 N HA 0.075 4.815 4.740 0.001 0.000 0.187 197 N C 0.330 175.895 175.510 0.092 0.000 1.099 197 N CA 0.016 53.105 53.050 0.066 0.000 0.867 197 N CB 0.285 38.806 38.487 0.056 0.000 0.974 197 N HN 0.243 nan 8.380 nan 0.000 0.477 198 M N 1.413 121.087 119.600 0.124 0.000 2.238 198 M HA 0.045 4.525 4.480 0.001 0.000 0.347 198 M C 0.269 176.726 176.300 0.261 0.000 1.173 198 M CA 0.083 55.487 55.300 0.174 0.000 1.147 198 M CB 0.608 33.336 32.600 0.213 0.000 1.547 198 M HN 0.110 nan 8.290 nan 0.000 0.455 199 T N 1.904 116.505 114.554 0.079 0.000 2.943 199 T HA 0.642 4.992 4.350 0.001 0.000 0.284 199 T C 0.863 175.156 174.700 -0.678 0.000 1.015 199 T CA -0.449 61.589 62.100 -0.103 0.000 1.042 199 T CB 1.564 70.385 68.868 -0.079 0.000 1.055 199 T HN 0.750 nan 8.240 nan 0.000 0.500 200 A N 0.682 122.896 122.820 -1.010 0.000 1.933 200 A HA -0.072 4.248 4.320 0.001 0.000 0.218 200 A C 2.328 179.587 177.584 -0.542 0.000 1.175 200 A CA 1.871 53.179 52.037 -1.214 0.000 0.628 200 A CB -1.134 17.460 19.000 -0.677 0.000 0.814 200 A HN 0.856 nan 8.150 nan 0.000 0.444 201 Q N 0.448 120.061 119.800 -0.312 0.000 2.084 201 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 201 Q C 1.418 177.358 176.000 -0.099 0.000 0.978 201 Q CA 1.981 57.691 55.803 -0.156 0.000 0.844 201 Q CB -0.390 28.293 28.738 -0.091 0.000 0.898 201 Q HN 0.630 nan 8.270 nan 0.000 0.426 202 D N -0.863 119.475 120.400 -0.104 0.000 2.172 202 D HA -0.160 4.480 4.640 0.001 0.000 0.196 202 D C 1.762 178.082 176.300 0.034 0.000 0.999 202 D CA 1.576 55.569 54.000 -0.011 0.000 0.856 202 D CB 0.050 40.839 40.800 -0.019 0.000 0.934 202 D HN 0.207 nan 8.370 nan 0.000 0.453 203 V N 1.241 121.108 119.914 -0.078 0.000 2.323 203 V HA -0.192 3.929 4.120 0.001 0.000 0.244 203 V C 2.492 178.623 176.094 0.062 0.000 1.041 203 V CA 1.363 63.657 62.300 -0.010 0.000 1.025 203 V CB -0.378 31.383 31.823 -0.103 0.000 0.656 203 V HN 0.128 nan 8.190 nan 0.000 0.451 204 R N 0.188 120.679 120.500 -0.015 0.000 2.091 204 R HA -0.178 4.163 4.340 0.001 0.000 0.238 204 R C 2.074 178.443 176.300 0.116 0.000 1.136 204 R CA 1.794 57.911 56.100 0.029 0.000 0.959 204 R CB -0.628 29.656 30.300 -0.027 0.000 0.856 204 R HN 0.473 nan 8.270 nan 0.000 0.437 205 D N 0.029 120.492 120.400 0.104 0.000 2.116 205 D HA -0.233 4.407 4.640 0.001 0.000 0.193 205 D C 1.482 177.897 176.300 0.191 0.000 0.998 205 D CA 0.891 54.964 54.000 0.122 0.000 0.836 205 D CB -0.344 40.537 40.800 0.134 0.000 0.951 205 D HN 0.346 nan 8.370 nan 0.000 0.449 206 W N 0.200 121.555 121.300 0.092 0.000 2.381 206 W HA -0.250 4.411 4.660 0.000 0.000 0.301 206 W C 2.139 178.776 176.519 0.197 0.000 1.205 206 W CA 0.768 58.241 57.345 0.213 0.000 1.285 206 W CB -0.447 29.117 29.460 0.173 0.000 1.133 206 W HN 0.061 nan 8.180 nan 0.000 0.521 207 Y N 1.395 121.736 120.300 0.069 0.000 2.242 207 Y HA -0.178 4.372 4.550 0.000 0.000 0.291 207 Y C 2.642 178.518 175.900 -0.040 0.000 1.137 207 Y CA 2.419 60.436 58.100 -0.139 0.000 1.181 207 Y CB -0.633 37.710 38.460 -0.195 0.000 0.989 207 Y HN -0.226 nan 8.280 nan 0.000 0.527 208 K N -0.148 120.272 120.400 0.032 0.000 2.217 208 K HA -0.160 4.160 4.320 0.001 0.000 0.202 208 K C 2.216 178.702 176.600 -0.191 0.000 1.051 208 K CA 0.842 57.087 56.287 -0.070 0.000 0.952 208 K CB -0.007 32.490 32.500 -0.005 0.000 0.736 208 K HN 0.174 nan 8.250 nan 0.000 0.453 209 R N -1.115 119.215 120.500 -0.284 0.000 2.119 209 R HA -0.073 4.267 4.340 0.001 0.000 0.222 209 R C 0.915 176.764 176.300 -0.751 0.000 1.088 209 R CA 1.601 57.316 56.100 -0.640 0.000 0.984 209 R CB 0.034 29.767 30.300 -0.945 0.000 0.884 209 R HN 0.253 nan 8.270 nan 0.000 0.447 210 W N -3.051 118.140 121.300 -0.183 0.000 2.661 210 W HA 0.292 4.952 4.660 0.000 0.000 0.288 210 W C -0.596 175.979 176.519 0.093 0.000 1.014 210 W CA -0.679 56.604 57.345 -0.103 0.000 1.396 210 W CB 0.616 29.919 29.460 -0.261 0.000 0.963 210 W HN -0.186 nan 8.180 nan 0.000 0.584 211 Y N 1.542 121.801 120.300 -0.069 0.000 2.342 211 Y HA 0.648 5.199 4.550 0.000 0.000 0.338 211 Y C 0.584 176.451 175.900 -0.056 0.000 0.965 211 Y CA -1.048 57.002 58.100 -0.084 0.000 1.159 211 Y CB 1.027 39.164 38.460 -0.538 0.000 1.157 211 Y HN -0.094 nan 8.280 nan 0.000 0.486 212 G N 3.760 112.690 108.800 0.215 0.000 2.387 212 G HA2 0.270 4.231 3.960 0.001 0.000 0.294 212 G HA3 0.270 4.231 3.960 0.001 0.000 0.294 212 G C -2.723 172.211 174.900 0.055 0.000 1.509 212 G CA -1.140 44.022 45.100 0.103 0.000 0.806 212 G HN 0.179 nan 8.290 nan 0.000 0.546 213 P HA -0.109 nan 4.420 nan 0.000 0.215 213 P C 1.572 178.847 177.300 -0.041 0.000 1.157 213 P CA 1.472 64.570 63.100 -0.004 0.000 0.874 213 P CB 0.025 31.747 31.700 0.037 0.000 0.790 214 N N -1.037 117.656 118.700 -0.012 0.000 2.626 214 N HA -0.116 4.624 4.740 0.001 0.000 0.193 214 N C 0.611 176.119 175.510 -0.003 0.000 1.213 214 N CA 0.757 53.800 53.050 -0.012 0.000 0.914 214 N CB -0.898 37.587 38.487 -0.003 0.000 0.994 214 N HN 0.126 nan 8.380 nan 0.000 0.447 215 N N -0.523 118.171 118.700 -0.010 0.000 2.232 215 N HA 0.264 5.004 4.740 0.001 0.000 0.240 215 N C -1.323 174.148 175.510 -0.065 0.000 1.307 215 N CA -0.251 52.812 53.050 0.022 0.000 0.859 215 N CB 1.064 39.623 38.487 0.119 0.000 1.260 215 N HN 0.341 nan 8.380 nan 0.000 0.501 216 A N -0.630 122.086 122.820 -0.173 0.000 2.435 216 A HA 0.774 5.094 4.320 0.001 0.000 0.304 216 A C -0.837 176.607 177.584 -0.233 0.000 1.064 216 A CA -0.446 51.383 52.037 -0.346 0.000 0.727 216 A CB 1.145 19.744 19.000 -0.668 0.000 1.284 216 A HN 0.104 nan 8.150 nan 0.000 0.415 217 T N 1.198 115.637 114.554 -0.192 0.000 2.792 217 T HA 0.512 4.862 4.350 0.001 0.000 0.280 217 T C -0.623 173.992 174.700 -0.142 0.000 0.990 217 T CA -0.382 61.634 62.100 -0.140 0.000 0.960 217 T CB 1.316 70.122 68.868 -0.104 0.000 0.939 217 T HN 0.457 nan 8.240 nan 0.000 0.439 218 V N 4.099 123.905 119.914 -0.181 0.000 2.383 218 V HA 0.398 4.518 4.120 0.001 0.000 0.275 218 V C -0.169 175.904 176.094 -0.036 0.000 1.036 218 V CA -0.536 61.667 62.300 -0.161 0.000 0.889 218 V CB 1.394 33.032 31.823 -0.308 0.000 0.985 218 V HN 0.724 nan 8.190 nan 0.000 0.459 219 V N 6.279 126.195 119.914 0.004 0.000 2.378 219 V HA 0.469 4.589 4.120 0.001 0.000 0.288 219 V C -0.292 175.849 176.094 0.077 0.000 1.016 219 V CA -0.516 61.791 62.300 0.013 0.000 0.840 219 V CB 1.925 33.710 31.823 -0.064 0.000 0.994 219 V HN 0.574 nan 8.190 nan 0.000 0.431 220 V N 5.945 125.911 119.914 0.087 0.000 2.407 220 V HA 0.582 4.703 4.120 0.001 0.000 0.291 220 V C -0.391 175.727 176.094 0.040 0.000 1.018 220 V CA -0.588 61.783 62.300 0.119 0.000 0.842 220 V CB 1.973 33.888 31.823 0.153 0.000 0.996 220 V HN 0.659 nan 8.190 nan 0.000 0.426 221 V N 4.843 124.779 119.914 0.035 0.000 2.588 221 V HA 1.087 5.207 4.120 0.001 0.000 0.304 221 V C 0.034 176.123 176.094 -0.008 0.000 1.042 221 V CA 0.811 63.101 62.300 -0.017 0.000 0.877 221 V CB 1.206 33.001 31.823 -0.047 0.000 0.996 221 V HN 1.371 nan 8.190 nan 0.000 0.425 222 G N 4.733 113.503 108.800 -0.051 0.000 2.334 222 G HA2 0.079 4.040 3.960 0.001 0.000 0.249 222 G HA3 0.079 4.040 3.960 0.001 0.000 0.249 222 G C -1.229 173.614 174.900 -0.094 0.000 1.327 222 G CA -0.108 44.964 45.100 -0.047 0.000 0.979 222 G HN 1.058 nan 8.290 nan 0.000 0.471 223 D N 0.910 121.291 120.400 -0.032 0.000 2.558 223 D HA 0.455 5.096 4.640 0.001 0.000 0.221 223 D C 0.475 176.818 176.300 0.071 0.000 1.143 223 D CA 0.500 54.515 54.000 0.025 0.000 1.010 223 D CB -0.064 40.793 40.800 0.095 0.000 1.068 223 D HN 1.112 nan 8.370 nan 0.000 0.511 224 V N -0.351 119.581 119.914 0.031 0.000 3.114 224 V HA 0.628 4.748 4.120 0.001 0.000 0.308 224 V C -0.621 175.510 176.094 0.060 0.000 1.168 224 V CA -1.077 61.245 62.300 0.037 0.000 1.015 224 V CB 2.272 34.090 31.823 -0.009 0.000 1.050 224 V HN 0.015 nan 8.190 nan 0.000 0.433 225 E N 1.393 121.590 120.200 -0.005 0.000 2.151 225 E HA 0.311 4.661 4.350 0.001 0.000 0.275 225 E C 0.621 177.077 176.600 -0.240 0.000 0.936 225 E CA -0.054 56.304 56.400 -0.069 0.000 0.777 225 E CB 1.540 31.183 29.700 -0.094 0.000 1.108 225 E HN 1.096 nan 8.360 nan 0.000 0.401 226 H N 1.722 120.509 119.070 -0.472 0.000 2.353 226 H HA -0.090 4.466 4.556 0.001 0.000 0.298 226 H C 1.044 175.704 175.328 -1.113 0.000 1.103 226 H CA 1.445 57.005 56.048 -0.813 0.000 1.293 226 H CB 0.361 29.578 29.762 -0.909 0.000 1.372 226 H HN 0.299 nan 8.280 nan 0.000 0.501 227 E N 1.159 120.694 120.200 -1.108 0.000 2.072 227 E HA -0.111 4.239 4.350 0.001 0.000 0.191 227 E C 2.652 179.065 176.600 -0.310 0.000 0.985 227 E CA 1.011 57.040 56.400 -0.619 0.000 0.801 227 E CB -0.514 28.893 29.700 -0.488 0.000 0.750 227 E HN 0.667 nan 8.360 nan 0.000 0.452 228 A N 1.145 123.796 122.820 -0.282 0.000 1.933 228 A HA -0.143 4.177 4.320 0.001 0.000 0.218 228 A C 2.619 180.142 177.584 -0.102 0.000 1.175 228 A CA 1.492 53.442 52.037 -0.145 0.000 0.628 228 A CB -0.667 18.261 19.000 -0.120 0.000 0.814 228 A HN 0.136 nan 8.150 nan 0.000 0.444 229 V N -0.831 118.975 119.914 -0.179 0.000 2.343 229 V HA -0.221 3.899 4.120 0.001 0.000 0.247 229 V C 2.338 178.490 176.094 0.097 0.000 1.051 229 V CA 1.867 64.123 62.300 -0.075 0.000 1.036 229 V CB -1.017 30.722 31.823 -0.139 0.000 0.654 229 V HN 0.531 nan 8.190 nan 0.000 0.451 230 F N 0.657 120.615 119.950 0.014 0.000 2.102 230 F HA -0.098 4.429 4.527 0.001 0.000 0.298 230 F C 2.561 178.375 175.800 0.023 0.000 1.105 230 F CA 1.339 59.354 58.000 0.025 0.000 1.239 230 F CB -1.147 37.855 39.000 0.003 0.000 0.991 230 F HN 0.033 nan 8.300 nan 0.000 0.474 231 R N -0.028 120.584 120.500 0.185 0.000 2.091 231 R HA -0.159 4.181 4.340 0.001 0.000 0.238 231 R C 2.142 178.498 176.300 0.093 0.000 1.136 231 R CA 0.866 57.026 56.100 0.101 0.000 0.959 231 R CB -1.000 29.326 30.300 0.043 0.000 0.856 231 R HN 0.114 nan 8.270 nan 0.000 0.437 232 L N -0.183 121.093 121.223 0.089 0.000 2.083 232 L HA -0.030 4.310 4.340 0.001 0.000 0.209 232 L C 2.092 179.045 176.870 0.138 0.000 1.083 232 L CA 1.961 56.849 54.840 0.080 0.000 0.752 232 L CB -1.174 40.919 42.059 0.056 0.000 0.899 232 L HN 0.234 nan 8.230 nan 0.000 0.433 233 A N -0.730 122.221 122.820 0.217 0.000 1.877 233 A HA -0.227 4.093 4.320 0.001 0.000 0.216 233 A C 2.196 179.912 177.584 0.220 0.000 1.186 233 A CA 1.672 53.892 52.037 0.306 0.000 0.620 233 A CB -0.509 18.660 19.000 0.282 0.000 0.822 233 A HN 0.489 nan 8.150 nan 0.000 0.443 234 E N -0.420 119.869 120.200 0.148 0.000 2.118 234 E HA -0.243 4.108 4.350 0.001 0.000 0.195 234 E C 2.203 178.847 176.600 0.074 0.000 0.992 234 E CA 1.514 57.972 56.400 0.097 0.000 0.804 234 E CB -0.180 29.564 29.700 0.073 0.000 0.741 234 E HN 0.748 nan 8.360 nan 0.000 0.458 235 Q N -0.510 119.328 119.800 0.063 0.000 2.311 235 Q HA -0.071 4.270 4.340 0.001 0.000 0.203 235 Q C 1.880 177.884 176.000 0.006 0.000 0.954 235 Q CA 1.615 57.435 55.803 0.029 0.000 0.885 235 Q CB 0.338 29.086 28.738 0.017 0.000 0.963 235 Q HN 0.381 nan 8.270 nan 0.000 0.471 236 T N -3.433 111.124 114.554 0.004 0.000 3.478 236 T HA 0.018 4.368 4.350 0.001 0.000 0.223 236 T C 1.469 176.126 174.700 -0.071 0.000 0.958 236 T CA -0.084 61.961 62.100 -0.092 0.000 1.324 236 T CB -0.864 67.866 68.868 -0.231 0.000 1.262 236 T HN 0.045 nan 8.240 nan 0.000 0.379 237 Y N 2.355 122.688 120.300 0.054 0.000 2.207 237 Y HA 0.139 4.689 4.550 0.001 0.000 0.287 237 Y C 2.964 178.886 175.900 0.035 0.000 1.156 237 Y CA 1.237 59.368 58.100 0.052 0.000 1.182 237 Y CB -0.993 37.502 38.460 0.058 0.000 0.979 237 Y HN 0.487 nan 8.280 nan 0.000 0.521 238 G N -0.451 108.464 108.800 0.192 0.000 2.448 238 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 238 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 238 G C 1.580 176.523 174.900 0.072 0.000 1.127 238 G CA 0.606 45.772 45.100 0.111 0.000 0.766 238 G HN 0.300 nan 8.290 nan 0.000 0.552 239 K N -0.949 119.488 120.400 0.061 0.000 2.504 239 K HA 0.144 4.464 4.320 0.001 0.000 0.195 239 K C 0.039 176.663 176.600 0.040 0.000 1.036 239 K CA -0.249 56.061 56.287 0.039 0.000 0.984 239 K CB -0.039 32.476 32.500 0.024 0.000 0.788 239 K HN 0.148 nan 8.250 nan 0.000 0.488 240 L N 0.412 121.670 121.223 0.058 0.000 2.375 240 L HA 0.263 4.603 4.340 0.001 0.000 0.271 240 L C 0.252 177.150 176.870 0.045 0.000 1.107 240 L CA -0.216 54.659 54.840 0.058 0.000 0.806 240 L CB 1.024 43.136 42.059 0.088 0.000 1.146 240 L HN -0.019 nan 8.230 nan 0.000 0.447 241 A N 3.708 126.549 122.820 0.034 0.000 2.313 241 A HA 0.574 4.894 4.320 0.001 0.000 0.261 241 A C 0.516 178.111 177.584 0.018 0.000 1.090 241 A CA -0.383 51.667 52.037 0.022 0.000 0.807 241 A CB 0.287 19.295 19.000 0.014 0.000 1.055 241 A HN 0.731 nan 8.150 nan 0.000 0.492 242 R N -1.121 119.384 120.500 0.007 0.000 2.652 242 R HA 0.542 4.882 4.340 0.001 0.000 0.271 242 R C -0.956 175.336 176.300 -0.014 0.000 1.129 242 R CA -0.289 55.811 56.100 -0.001 0.000 1.200 242 R CB 0.590 30.886 30.300 -0.007 0.000 1.146 242 R HN 0.412 nan 8.270 nan 0.000 0.581 243 V N 0.975 120.874 119.914 -0.025 0.000 2.841 243 V HA 0.084 4.204 4.120 0.001 0.000 0.310 243 V C -0.830 175.221 176.094 -0.072 0.000 1.090 243 V CA -0.967 61.301 62.300 -0.053 0.000 0.930 243 V CB 1.934 33.721 31.823 -0.060 0.000 1.014 243 V HN 0.886 nan 8.190 nan 0.000 0.425 244 E N 3.463 123.603 120.200 -0.100 0.000 2.765 244 E HA 0.139 4.489 4.350 0.001 0.000 0.256 244 E C -0.001 176.512 176.600 -0.145 0.000 0.935 244 E CA 0.297 56.626 56.400 -0.119 0.000 0.954 244 E CB 0.586 30.198 29.700 -0.147 0.000 0.908 244 E HN 0.784 nan 8.360 nan 0.000 0.500 245 A N 5.328 128.091 122.820 -0.095 0.000 2.316 245 A HA 0.346 4.667 4.320 0.001 0.000 0.311 245 A C -2.110 175.416 177.584 -0.095 0.000 1.339 245 A CA -1.523 50.469 52.037 -0.074 0.000 0.960 245 A CB 0.018 19.010 19.000 -0.012 0.000 1.152 245 A HN 0.579 nan 8.150 nan 0.000 0.547 246 P HA 0.404 nan 4.420 nan 0.000 0.282 246 P C 0.014 177.309 177.300 -0.008 0.000 1.262 246 P CA -0.136 62.883 63.100 -0.136 0.000 0.773 246 P CB 1.117 32.646 31.700 -0.284 0.000 0.879 247 A N 4.671 127.493 122.820 0.003 0.000 2.548 247 A HA 0.079 4.400 4.320 0.001 0.000 0.247 247 A C 0.297 177.920 177.584 0.065 0.000 1.067 247 A CA -0.029 52.029 52.037 0.035 0.000 0.757 247 A CB -0.320 18.692 19.000 0.019 0.000 0.996 247 A HN 0.490 nan 8.150 nan 0.000 0.504 248 R N 2.438 122.993 120.500 0.092 0.000 2.221 248 R HA 0.263 4.604 4.340 0.001 0.000 0.327 248 R C -0.408 175.929 176.300 0.062 0.000 1.033 248 R CA -0.355 55.810 56.100 0.108 0.000 0.887 248 R CB 0.991 31.367 30.300 0.127 0.000 1.057 248 R HN 0.670 nan 8.270 nan 0.000 0.455 249 K N 2.931 123.362 120.400 0.052 0.000 2.472 249 K HA -0.070 4.251 4.320 0.001 0.000 0.280 249 K C -0.354 176.255 176.600 0.014 0.000 1.028 249 K CA 0.274 56.579 56.287 0.029 0.000 1.045 249 K CB 0.488 33.003 32.500 0.025 0.000 0.902 249 K HN 0.381 nan 8.250 nan 0.000 0.478 250 Q N 3.137 122.945 119.800 0.013 0.000 2.348 250 Q HA 0.053 4.394 4.340 0.001 0.000 0.251 250 Q C -0.530 175.465 176.000 -0.008 0.000 1.113 250 Q CA 0.103 55.909 55.803 0.005 0.000 0.902 250 Q CB 0.381 29.131 28.738 0.020 0.000 1.333 250 Q HN 0.345 nan 8.270 nan 0.000 0.457 251 Q N 0.903 120.670 119.800 -0.055 0.000 2.317 251 Q HA 0.693 5.033 4.340 0.001 0.000 0.229 251 Q C 0.123 176.125 176.000 0.003 0.000 0.984 251 Q CA -0.242 55.515 55.803 -0.076 0.000 0.911 251 Q CB 0.955 29.565 28.738 -0.213 0.000 1.217 251 Q HN 0.740 nan 8.270 nan 0.000 0.501 252 G N 0.070 108.911 108.800 0.068 0.000 2.870 252 G HA2 0.446 4.406 3.960 0.001 0.000 0.299 252 G HA3 0.446 4.406 3.960 0.001 0.000 0.299 252 G C -1.705 173.315 174.900 0.200 0.000 1.324 252 G CA -0.494 44.712 45.100 0.176 0.000 0.808 252 G HN 0.484 nan 8.290 nan 0.000 0.535 253 E N 0.865 121.159 120.200 0.156 0.000 2.244 253 E HA 0.539 4.889 4.350 0.001 0.000 0.260 253 E C -2.375 174.271 176.600 0.076 0.000 0.884 253 E CA -1.708 54.777 56.400 0.142 0.000 0.777 253 E CB 1.536 31.336 29.700 0.166 0.000 1.197 253 E HN 0.338 nan 8.360 nan 0.000 0.416 254 P HA -0.014 nan 4.420 nan 0.000 0.262 254 P C -0.547 176.796 177.300 0.072 0.000 1.182 254 P CA -0.179 62.962 63.100 0.068 0.000 0.761 254 P CB 0.621 32.361 31.700 0.067 0.000 0.795 255 Q N 2.373 122.212 119.800 0.064 0.000 2.520 255 Q HA -0.154 4.187 4.340 0.001 0.000 0.320 255 Q C 0.095 176.146 176.000 0.085 0.000 1.104 255 Q CA 0.919 56.767 55.803 0.075 0.000 1.062 255 Q CB -0.143 28.629 28.738 0.055 0.000 1.005 255 Q HN 0.423 nan 8.270 nan 0.000 0.390 256 Q N 2.841 122.719 119.800 0.131 0.000 2.332 256 Q HA 0.400 4.740 4.340 0.001 0.000 0.263 256 Q C -1.074 174.946 176.000 0.034 0.000 0.979 256 Q CA 0.403 56.252 55.803 0.076 0.000 0.885 256 Q CB 0.525 29.281 28.738 0.030 0.000 1.218 256 Q HN 0.732 nan 8.270 nan 0.000 0.405 257 A N 3.546 126.372 122.820 0.010 0.000 3.266 257 A HA 0.651 4.971 4.320 0.001 0.000 0.310 257 A C -0.408 177.169 177.584 -0.012 0.000 1.066 257 A CA 0.191 52.231 52.037 0.005 0.000 0.839 257 A CB 0.298 19.307 19.000 0.014 0.000 1.192 257 A HN 0.910 nan 8.150 nan 0.000 0.496 258 G N -0.475 108.307 108.800 -0.031 0.000 2.306 258 G HA2 0.431 4.392 3.960 0.001 0.000 0.340 258 G HA3 0.431 4.392 3.960 0.001 0.000 0.340 258 G C -0.719 174.135 174.900 -0.076 0.000 1.630 258 G CA -0.125 44.951 45.100 -0.041 0.000 0.937 258 G HN 1.305 nan 8.290 nan 0.000 0.693 259 V N 1.408 121.273 119.914 -0.082 0.000 3.139 259 V HA 0.604 4.725 4.120 0.001 0.000 0.307 259 V C 0.695 176.718 176.094 -0.118 0.000 1.095 259 V CA 0.287 62.513 62.300 -0.123 0.000 1.160 259 V CB 0.858 32.616 31.823 -0.109 0.000 1.003 259 V HN 0.812 nan 8.190 nan 0.000 0.489 260 R N 4.401 124.810 120.500 -0.151 0.000 2.538 260 R HA 0.573 4.913 4.340 0.001 0.000 0.292 260 R C -1.179 175.047 176.300 -0.123 0.000 1.008 260 R CA -0.641 55.387 56.100 -0.121 0.000 0.896 260 R CB 1.902 32.126 30.300 -0.126 0.000 1.187 260 R HN 0.708 nan 8.270 nan 0.000 0.440 261 R N 1.803 122.251 120.500 -0.087 0.000 2.599 261 R HA 0.611 4.951 4.340 0.001 0.000 0.295 261 R C -1.199 175.069 176.300 -0.053 0.000 0.963 261 R CA -0.975 55.077 56.100 -0.079 0.000 0.883 261 R CB 2.536 32.794 30.300 -0.070 0.000 1.171 261 R HN 0.221 nan 8.270 nan 0.000 0.450 262 V N 1.648 121.535 119.914 -0.045 0.000 2.876 262 V HA 0.577 4.697 4.120 0.001 0.000 0.312 262 V C -1.066 175.022 176.094 -0.010 0.000 1.085 262 V CA -0.327 61.960 62.300 -0.022 0.000 0.945 262 V CB 2.726 34.542 31.823 -0.011 0.000 1.017 262 V HN 0.836 nan 8.190 nan 0.000 0.428 263 T N 4.933 119.487 114.554 0.000 0.000 2.841 263 T HA 0.631 4.982 4.350 0.001 0.000 0.283 263 T C -0.742 173.970 174.700 0.021 0.000 1.000 263 T CA -0.392 61.715 62.100 0.010 0.000 0.977 263 T CB 1.494 70.364 68.868 0.004 0.000 0.979 263 T HN 0.961 nan 8.240 nan 0.000 0.446 264 V N 1.141 121.075 119.914 0.034 0.000 2.417 264 V HA 0.664 4.784 4.120 0.001 0.000 0.291 264 V C -0.432 175.679 176.094 0.029 0.000 1.024 264 V CA -1.015 61.306 62.300 0.035 0.000 0.861 264 V CB 1.272 33.123 31.823 0.046 0.000 0.985 264 V HN 0.704 nan 8.190 nan 0.000 0.436 265 K N 3.078 123.491 120.400 0.021 0.000 2.206 265 K HA 0.902 5.223 4.320 0.001 0.000 0.264 265 K C -0.404 176.204 176.600 0.013 0.000 0.967 265 K CA -0.317 55.980 56.287 0.016 0.000 0.844 265 K CB 2.093 34.600 32.500 0.011 0.000 1.099 265 K HN 1.147 nan 8.250 nan 0.000 0.441 266 A N 3.593 126.419 122.820 0.011 0.000 2.608 266 A HA 0.452 4.773 4.320 0.001 0.000 0.292 266 A C -2.916 174.670 177.584 0.002 0.000 1.066 266 A CA -1.441 50.599 52.037 0.005 0.000 0.676 266 A CB 1.100 20.101 19.000 0.001 0.000 1.277 266 A HN 0.387 nan 8.150 nan 0.000 0.413 267 P HA 0.381 nan 4.420 nan 0.000 0.256 267 P C -0.010 177.287 177.300 -0.005 0.000 1.189 267 P CA 1.242 64.342 63.100 -0.001 0.000 0.808 267 P CB 0.493 32.193 31.700 -0.001 0.000 0.793 268 A N 3.356 126.175 122.820 -0.001 0.000 2.594 268 A HA 0.541 4.861 4.320 0.001 0.000 0.307 268 A C 0.373 177.960 177.584 0.005 0.000 1.203 268 A CA -0.257 51.778 52.037 -0.002 0.000 0.644 268 A CB 0.917 19.915 19.000 -0.004 0.000 1.349 268 A HN 0.308 nan 8.150 nan 0.000 0.510 269 E N -1.038 119.166 120.200 0.008 0.000 2.399 269 E HA 0.309 4.659 4.350 0.001 0.000 0.206 269 E C -0.412 176.199 176.600 0.018 0.000 0.812 269 E CA 0.346 56.753 56.400 0.011 0.000 1.138 269 E CB 0.480 30.185 29.700 0.009 0.000 1.140 269 E HN 0.540 nan 8.360 nan 0.000 0.536 270 L N 3.009 124.247 121.223 0.025 0.000 2.309 270 L HA 0.382 4.722 4.340 0.001 0.000 0.282 270 L C -2.239 174.666 176.870 0.059 0.000 1.036 270 L CA -1.955 52.908 54.840 0.039 0.000 0.806 270 L CB 1.416 43.502 42.059 0.044 0.000 1.220 270 L HN -0.111 nan 8.230 nan 0.000 0.429 271 P HA 0.160 nan 4.420 nan 0.000 0.273 271 P C -1.681 175.712 177.300 0.155 0.000 1.250 271 P CA -0.075 63.075 63.100 0.083 0.000 0.793 271 P CB 0.479 32.206 31.700 0.044 0.000 1.011 272 Y N 0.666 120.969 120.300 0.005 0.000 2.571 272 Y HA 0.657 5.207 4.550 0.000 0.000 0.341 272 Y C -2.140 173.766 175.900 0.010 0.000 1.076 272 Y CA -1.230 56.877 58.100 0.011 0.000 1.029 272 Y CB 1.440 39.908 38.460 0.015 0.000 1.308 272 Y HN 0.263 nan 8.280 nan 0.000 0.461 273 L N 4.332 125.090 121.223 -0.774 0.000 2.436 273 L HA 0.959 5.299 4.340 0.001 0.000 0.268 273 L C -1.675 174.783 176.870 -0.688 0.000 0.974 273 L CA -0.439 54.097 54.840 -0.507 0.000 0.826 273 L CB 1.967 43.868 42.059 -0.263 0.000 1.291 273 L HN 0.814 nan 8.230 nan 0.000 0.406 274 A N 4.702 127.320 122.820 -0.336 0.000 2.374 274 A HA 0.823 5.143 4.320 0.001 0.000 0.305 274 A C -1.962 175.542 177.584 -0.134 0.000 1.053 274 A CA -0.401 51.528 52.037 -0.180 0.000 0.726 274 A CB 1.277 20.281 19.000 0.008 0.000 1.229 274 A HN 0.514 nan 8.150 nan 0.000 0.431 275 L N 1.712 122.874 121.223 -0.102 0.000 2.313 275 L HA 0.784 5.124 4.340 0.001 0.000 0.283 275 L C 0.289 177.062 176.870 -0.161 0.000 1.013 275 L CA -0.034 54.685 54.840 -0.202 0.000 0.816 275 L CB 1.699 43.661 42.059 -0.161 0.000 1.236 275 L HN 0.890 nan 8.230 nan 0.000 0.419 276 A N 3.711 126.328 122.820 -0.339 0.000 2.335 276 A HA 0.686 5.006 4.320 0.001 0.000 0.304 276 A C -1.626 175.785 177.584 -0.287 0.000 1.118 276 A CA -0.536 51.412 52.037 -0.149 0.000 0.757 276 A CB 0.882 19.818 19.000 -0.107 0.000 1.188 276 A HN 0.611 nan 8.150 nan 0.000 0.460 277 W N 2.304 123.633 121.300 0.049 0.000 2.417 277 W HA 0.272 4.932 4.660 0.000 0.000 0.315 277 W C -0.164 176.418 176.519 0.105 0.000 1.045 277 W CA -0.396 56.953 57.345 0.005 0.000 1.221 277 W CB 0.887 30.357 29.460 0.016 0.000 1.309 277 W HN 0.777 nan 8.180 nan 0.000 0.453 278 H N 2.012 121.173 119.070 0.152 0.000 3.091 278 H HA 0.182 4.738 4.556 0.000 0.000 0.289 278 H C 0.509 175.934 175.328 0.162 0.000 0.995 278 H CA 0.042 56.150 56.048 0.100 0.000 1.461 278 H CB 0.740 30.498 29.762 -0.007 0.000 1.510 278 H HN 0.187 nan 8.280 nan 0.000 0.546 279 V N 1.636 121.733 119.914 0.305 0.000 3.141 279 V HA 0.565 4.685 4.120 0.001 0.000 0.312 279 V C -2.734 173.475 176.094 0.191 0.000 1.157 279 V CA -2.917 59.504 62.300 0.202 0.000 1.041 279 V CB 1.953 33.866 31.823 0.150 0.000 1.071 279 V HN 0.452 nan 8.190 nan 0.000 0.441 280 P HA 0.572 nan 4.420 nan 0.000 0.272 280 P C -0.501 176.928 177.300 0.215 0.000 1.230 280 P CA 0.267 63.444 63.100 0.129 0.000 0.788 280 P CB 0.760 32.503 31.700 0.072 0.000 0.949 281 A N 1.840 124.757 122.820 0.162 0.000 2.392 281 A HA 0.665 4.985 4.320 0.001 0.000 0.283 281 A C -0.446 177.176 177.584 0.064 0.000 1.197 281 A CA -0.864 51.267 52.037 0.156 0.000 0.895 281 A CB 0.433 19.503 19.000 0.116 0.000 1.400 281 A HN 0.451 nan 8.150 nan 0.000 0.461 282 I N 0.686 121.268 120.570 0.020 0.000 2.396 282 I HA 0.269 4.440 4.170 0.001 0.000 0.289 282 I C 0.380 176.507 176.117 0.017 0.000 1.056 282 I CA 0.106 61.390 61.300 -0.027 0.000 1.365 282 I CB 1.047 39.044 38.000 -0.005 0.000 1.407 282 I HN 0.348 nan 8.210 nan 0.000 0.509 283 V N 3.565 123.486 119.914 0.013 0.000 3.278 283 V HA 0.097 4.217 4.120 0.001 0.000 0.215 283 V C 0.353 176.468 176.094 0.034 0.000 1.287 283 V CA 0.314 62.631 62.300 0.029 0.000 1.302 283 V CB 0.248 32.088 31.823 0.029 0.000 1.228 283 V HN 0.684 nan 8.190 nan 0.000 0.523 284 D N 0.890 121.310 120.400 0.034 0.000 2.411 284 D HA 0.261 4.902 4.640 0.001 0.000 0.225 284 D C 1.051 177.402 176.300 0.085 0.000 1.156 284 D CA 0.031 54.061 54.000 0.049 0.000 0.874 284 D CB 1.451 42.277 40.800 0.043 0.000 1.034 284 D HN 0.125 nan 8.370 nan 0.000 0.502 285 L N 2.782 124.069 121.223 0.106 0.000 2.043 285 L HA -0.215 4.126 4.340 0.001 0.000 0.212 285 L C 1.775 178.788 176.870 0.237 0.000 1.075 285 L CA 1.126 56.081 54.840 0.191 0.000 0.752 285 L CB -0.036 42.110 42.059 0.146 0.000 0.891 285 L HN 0.370 nan 8.230 nan 0.000 0.432 286 D N -0.450 120.034 120.400 0.140 0.000 2.149 286 D HA -0.092 4.548 4.640 0.001 0.000 0.201 286 D C 1.877 178.260 176.300 0.139 0.000 0.972 286 D CA 1.127 55.194 54.000 0.111 0.000 0.835 286 D CB 0.217 41.051 40.800 0.057 0.000 0.966 286 D HN 0.320 nan 8.370 nan 0.000 0.476 287 K N -0.138 120.342 120.400 0.134 0.000 3.215 287 K HA 0.164 4.485 4.320 0.001 0.000 0.171 287 K C 0.781 177.486 176.600 0.174 0.000 1.127 287 K CA 0.125 56.486 56.287 0.123 0.000 1.421 287 K CB -0.096 32.446 32.500 0.069 0.000 1.962 287 K HN -0.297 nan 8.250 nan 0.000 0.478 288 S N 1.067 116.811 115.700 0.074 0.000 3.462 288 S HA -0.179 4.292 4.470 0.001 0.000 0.370 288 S C 0.877 175.456 174.600 -0.034 0.000 1.028 288 S CA 0.468 58.648 58.200 -0.034 0.000 1.119 288 S CB -0.970 62.122 63.200 -0.180 0.000 0.906 288 S HN 0.278 nan 8.310 nan 0.000 0.471 289 R N 1.478 122.041 120.500 0.104 0.000 2.103 289 R HA -0.169 4.171 4.340 0.001 0.000 0.242 289 R C 1.904 178.249 176.300 0.076 0.000 1.142 289 R CA 2.021 58.214 56.100 0.157 0.000 0.960 289 R CB -1.019 29.338 30.300 0.095 0.000 0.858 289 R HN 0.775 nan 8.270 nan 0.000 0.439 290 D N 0.939 121.349 120.400 0.018 0.000 2.133 290 D HA -0.170 4.471 4.640 0.001 0.000 0.195 290 D C 1.714 178.009 176.300 -0.008 0.000 0.997 290 D CA 1.648 55.645 54.000 -0.006 0.000 0.840 290 D CB -0.526 40.267 40.800 -0.011 0.000 0.947 290 D HN 0.228 nan 8.370 nan 0.000 0.452 291 A N -0.097 122.704 122.820 -0.032 0.000 1.873 291 A HA -0.125 4.196 4.320 0.001 0.000 0.215 291 A C 2.175 179.809 177.584 0.084 0.000 1.186 291 A CA 1.157 53.218 52.037 0.041 0.000 0.616 291 A CB -1.153 17.799 19.000 -0.079 0.000 0.823 291 A HN 0.240 nan 8.150 nan 0.000 0.442 292 Y N 0.186 120.549 120.300 0.104 0.000 2.165 292 Y HA -0.120 4.431 4.550 0.001 0.000 0.286 292 Y C 2.954 178.868 175.900 0.023 0.000 1.155 292 Y CA 0.525 58.640 58.100 0.024 0.000 1.164 292 Y CB -1.039 37.392 38.460 -0.049 0.000 0.978 292 Y HN 0.323 nan 8.280 nan 0.000 0.513 293 A N 0.247 123.159 122.820 0.153 0.000 1.883 293 A HA -0.198 4.123 4.320 0.001 0.000 0.217 293 A C 2.334 179.939 177.584 0.034 0.000 1.186 293 A CA 1.839 53.912 52.037 0.061 0.000 0.624 293 A CB -1.223 17.783 19.000 0.011 0.000 0.822 293 A HN 0.478 nan 8.150 nan 0.000 0.444 294 L N -1.023 120.196 121.223 -0.006 0.000 2.079 294 L HA -0.227 4.114 4.340 0.001 0.000 0.210 294 L C 2.661 179.612 176.870 0.135 0.000 1.081 294 L CA 1.773 56.552 54.840 -0.101 0.000 0.752 294 L CB -0.409 41.363 42.059 -0.478 0.000 0.896 294 L HN 0.552 nan 8.230 nan 0.000 0.433 295 E N 0.106 120.483 120.200 0.295 0.000 2.072 295 E HA -0.230 4.120 4.350 0.001 0.000 0.191 295 E C 2.173 178.903 176.600 0.216 0.000 0.985 295 E CA 1.069 57.695 56.400 0.377 0.000 0.801 295 E CB 0.074 29.960 29.700 0.309 0.000 0.750 295 E HN 0.322 nan 8.360 nan 0.000 0.452 296 I N 1.109 121.764 120.570 0.142 0.000 2.394 296 I HA -0.253 3.918 4.170 0.001 0.000 0.251 296 I C 2.203 178.382 176.117 0.103 0.000 1.136 296 I CA 0.775 62.131 61.300 0.094 0.000 1.425 296 I CB -0.275 37.754 38.000 0.047 0.000 1.079 296 I HN 0.225 nan 8.210 nan 0.000 0.425 297 L N 0.198 121.485 121.223 0.107 0.000 1.990 297 L HA -0.317 4.024 4.340 0.001 0.000 0.213 297 L C 2.591 179.589 176.870 0.215 0.000 1.072 297 L CA 2.085 56.990 54.840 0.108 0.000 0.755 297 L CB -0.546 41.527 42.059 0.023 0.000 0.889 297 L HN 0.308 nan 8.230 nan 0.000 0.432 298 A N -0.688 122.322 122.820 0.316 0.000 1.978 298 A HA -0.168 4.152 4.320 0.001 0.000 0.220 298 A C 2.292 179.960 177.584 0.140 0.000 1.170 298 A CA 1.691 53.861 52.037 0.222 0.000 0.636 298 A CB -0.601 18.451 19.000 0.086 0.000 0.810 298 A HN 0.573 nan 8.150 nan 0.000 0.448 299 A N -0.967 121.936 122.820 0.138 0.000 2.067 299 A HA 0.214 4.535 4.320 0.001 0.000 0.217 299 A C 1.979 179.633 177.584 0.116 0.000 1.156 299 A CA 1.258 53.369 52.037 0.123 0.000 0.683 299 A CB -0.358 18.713 19.000 0.118 0.000 0.808 299 A HN 0.335 nan 8.150 nan 0.000 0.455 300 V N -0.369 119.604 119.914 0.098 0.000 2.951 300 V HA -0.082 4.038 4.120 0.001 0.000 0.255 300 V C 2.236 178.354 176.094 0.040 0.000 1.088 300 V CA 1.375 63.720 62.300 0.074 0.000 1.109 300 V CB -0.398 31.456 31.823 0.052 0.000 0.724 300 V HN 0.540 nan 8.190 nan 0.000 0.471 301 L N -0.538 120.717 121.223 0.053 0.000 2.221 301 L HA 0.193 4.534 4.340 0.001 0.000 0.202 301 L C 1.478 178.343 176.870 -0.008 0.000 1.074 301 L CA 1.212 56.070 54.840 0.030 0.000 0.795 301 L CB 0.087 42.199 42.059 0.087 0.000 0.960 301 L HN 0.292 nan 8.230 nan 0.000 0.458 302 D N -1.202 119.207 120.400 0.014 0.000 2.712 302 D HA 0.121 4.761 4.640 0.001 0.000 0.300 302 D C 1.507 177.823 176.300 0.027 0.000 1.521 302 D CA 0.272 54.269 54.000 -0.005 0.000 0.790 302 D CB 0.529 41.342 40.800 0.021 0.000 1.155 302 D HN 0.051 nan 8.370 nan 0.000 0.456 303 G N -0.048 108.789 108.800 0.062 0.000 2.471 303 G HA2 0.073 4.034 3.960 0.001 0.000 0.219 303 G HA3 0.073 4.034 3.960 0.001 0.000 0.219 303 G C 0.389 175.445 174.900 0.259 0.000 1.125 303 G CA 1.308 46.505 45.100 0.162 0.000 0.775 303 G HN 0.415 nan 8.290 nan 0.000 0.548 304 Y N -3.180 117.146 120.300 0.044 0.000 2.764 304 Y HA 0.586 5.137 4.550 0.001 0.000 0.331 304 Y C -1.082 174.838 175.900 0.034 0.000 1.280 304 Y CA -1.897 56.227 58.100 0.040 0.000 1.065 304 Y CB 0.483 38.968 38.460 0.041 0.000 1.319 304 Y HN -0.130 nan 8.280 nan 0.000 0.453 305 D N 0.145 120.612 120.400 0.113 0.000 3.008 305 D HA 0.422 5.063 4.640 0.001 0.000 0.242 305 D C 0.648 176.912 176.300 -0.060 0.000 1.222 305 D CA 1.201 55.204 54.000 0.005 0.000 0.883 305 D CB -0.528 40.317 40.800 0.076 0.000 1.110 305 D HN 0.961 nan 8.370 nan 0.000 0.455 306 G N -0.801 107.730 108.800 -0.447 0.000 4.496 306 G HA2 0.308 4.269 3.960 0.001 0.000 0.211 306 G HA3 0.308 4.269 3.960 0.001 0.000 0.211 306 G C 0.400 174.839 174.900 -0.769 0.000 0.831 306 G CA 0.133 45.023 45.100 -0.349 0.000 0.815 306 G HN 0.423 nan 8.290 nan 0.000 0.528 307 A N 0.436 122.598 122.820 -1.096 0.000 2.251 307 A HA 0.701 5.022 4.320 0.001 0.000 0.278 307 A C 1.799 179.221 177.584 -0.270 0.000 1.206 307 A CA -0.123 51.511 52.037 -0.672 0.000 0.822 307 A CB 0.436 19.132 19.000 -0.506 0.000 1.187 307 A HN 0.090 nan 8.150 nan 0.000 0.504 308 R N -0.815 119.603 120.500 -0.136 0.000 2.103 308 R HA -0.166 4.174 4.340 0.001 0.000 0.234 308 R C 2.228 178.490 176.300 -0.064 0.000 1.132 308 R CA 1.900 57.957 56.100 -0.071 0.000 0.925 308 R CB -0.860 29.422 30.300 -0.031 0.000 0.842 308 R HN 0.796 nan 8.270 nan 0.000 0.430 309 M N -0.042 119.529 119.600 -0.048 0.000 2.163 309 M HA -0.207 4.273 4.480 0.001 0.000 0.258 309 M C 2.463 178.740 176.300 -0.039 0.000 1.071 309 M CA 2.422 57.708 55.300 -0.025 0.000 1.093 309 M CB -1.418 31.180 32.600 -0.004 0.000 1.285 309 M HN 0.265 nan 8.290 nan 0.000 0.420 310 T N -0.528 113.988 114.554 -0.063 0.000 2.821 310 T HA -0.176 4.175 4.350 0.001 0.000 0.267 310 T C 1.865 176.528 174.700 -0.062 0.000 1.046 310 T CA 1.701 63.766 62.100 -0.058 0.000 1.139 310 T CB -0.123 68.704 68.868 -0.067 0.000 0.871 310 T HN 0.410 nan 8.240 nan 0.000 0.454 311 R N -0.321 120.126 120.500 -0.088 0.000 2.096 311 R HA -0.028 4.312 4.340 0.001 0.000 0.235 311 R C 2.462 178.733 176.300 -0.048 0.000 1.127 311 R CA 1.765 57.825 56.100 -0.067 0.000 0.968 311 R CB -0.193 30.060 30.300 -0.078 0.000 0.861 311 R HN 0.375 nan 8.270 nan 0.000 0.440 312 Q N -0.741 119.030 119.800 -0.047 0.000 2.349 312 Q HA 0.200 4.541 4.340 0.001 0.000 0.209 312 Q C 1.647 177.616 176.000 -0.052 0.000 0.920 312 Q CA 0.747 56.523 55.803 -0.045 0.000 0.901 312 Q CB 0.536 29.252 28.738 -0.037 0.000 1.021 312 Q HN 0.351 nan 8.270 nan 0.000 0.519 313 L N -1.493 119.708 121.223 -0.036 0.000 2.425 313 L HA 0.126 4.467 4.340 0.001 0.000 0.215 313 L C 1.643 178.503 176.870 -0.016 0.000 1.065 313 L CA 0.254 55.080 54.840 -0.024 0.000 0.842 313 L CB 0.220 42.286 42.059 0.010 0.000 1.033 313 L HN 0.008 nan 8.230 nan 0.000 0.474 314 V N -0.365 119.540 119.914 -0.015 0.000 2.685 314 V HA -0.002 4.118 4.120 0.001 0.000 0.244 314 V C 2.157 178.242 176.094 -0.015 0.000 1.054 314 V CA 1.164 63.460 62.300 -0.006 0.000 1.076 314 V CB -0.154 31.667 31.823 -0.003 0.000 0.725 314 V HN 0.318 nan 8.190 nan 0.000 0.467 315 R N -0.591 119.894 120.500 -0.025 0.000 2.334 315 R HA 0.249 4.590 4.340 0.001 0.000 0.212 315 R C 1.657 177.937 176.300 -0.032 0.000 0.897 315 R CA 0.594 56.681 56.100 -0.023 0.000 1.056 315 R CB 0.614 30.902 30.300 -0.020 0.000 1.046 315 R HN 0.543 nan 8.270 nan 0.000 0.513 316 G N 1.026 109.796 108.800 -0.050 0.000 2.601 316 G HA2 -0.139 3.822 3.960 0.001 0.000 0.214 316 G HA3 -0.139 3.822 3.960 0.001 0.000 0.214 316 G C 0.808 175.649 174.900 -0.098 0.000 2.067 316 G CA 0.047 45.108 45.100 -0.065 0.000 0.774 316 G HN 0.278 nan 8.290 nan 0.000 0.729 317 N N 0.520 119.119 118.700 -0.167 0.000 2.453 317 N HA -0.063 4.677 4.740 0.001 0.000 0.183 317 N C 0.587 175.940 175.510 -0.261 0.000 1.041 317 N CA 1.146 54.020 53.050 -0.293 0.000 0.900 317 N CB -0.322 37.830 38.487 -0.559 0.000 0.961 317 N HN 0.579 nan 8.380 nan 0.000 0.443 318 K N -1.525 118.788 120.400 -0.144 0.000 3.192 318 K HA -0.226 4.095 4.320 0.001 0.000 0.278 318 K C -0.039 176.591 176.600 0.050 0.000 1.164 318 K CA 1.030 57.294 56.287 -0.038 0.000 0.816 318 K CB -2.461 30.031 32.500 -0.012 0.000 1.256 318 K HN 0.574 nan 8.250 nan 0.000 0.497 319 H N -0.595 118.475 119.070 0.000 0.000 2.524 319 H HA 0.151 4.707 4.556 0.001 0.000 0.282 319 H C 0.977 176.306 175.328 0.001 0.000 1.016 319 H CA 0.331 56.379 56.048 -0.000 0.000 1.270 319 H CB 0.350 30.111 29.762 -0.002 0.000 1.394 319 H HN 0.437 nan 8.280 nan 0.000 0.568 320 A N 0.206 123.095 122.820 0.113 0.000 2.374 320 A HA 0.380 4.700 4.320 0.001 0.000 0.317 320 A C 0.851 178.463 177.584 0.046 0.000 1.094 320 A CA -0.599 51.477 52.037 0.066 0.000 0.765 320 A CB 1.492 20.521 19.000 0.050 0.000 1.268 320 A HN 0.051 nan 8.150 nan 0.000 0.438 321 V N 1.167 121.106 119.914 0.043 0.000 2.407 321 V HA 0.023 4.144 4.120 0.001 0.000 0.245 321 V C 1.202 177.317 176.094 0.035 0.000 1.041 321 V CA 2.104 64.426 62.300 0.037 0.000 1.040 321 V CB -0.342 31.505 31.823 0.040 0.000 0.671 321 V HN 1.041 nan 8.190 nan 0.000 0.455 322 S N -1.087 114.637 115.700 0.042 0.000 2.595 322 S HA 0.873 5.343 4.470 0.001 0.000 0.281 322 S C -0.821 173.801 174.600 0.036 0.000 1.117 322 S CA -0.104 58.120 58.200 0.040 0.000 0.873 322 S CB 2.616 65.849 63.200 0.054 0.000 1.108 322 S HN 0.794 nan 8.310 nan 0.000 0.477 323 A N 0.319 123.157 122.820 0.030 0.000 2.540 323 A HA 0.929 5.250 4.320 0.001 0.000 0.297 323 A C -0.211 177.390 177.584 0.029 0.000 1.056 323 A CA -0.261 51.791 52.037 0.025 0.000 0.700 323 A CB 1.164 20.175 19.000 0.017 0.000 1.280 323 A HN 1.881 nan 8.150 nan 0.000 0.398 324 G N -0.458 108.367 108.800 0.041 0.000 2.692 324 G HA2 0.908 4.868 3.960 0.001 0.000 0.291 324 G HA3 0.908 4.868 3.960 0.001 0.000 0.291 324 G C -0.892 174.045 174.900 0.062 0.000 1.423 324 G CA 0.154 45.282 45.100 0.047 0.000 0.843 324 G HN 1.983 nan 8.290 nan 0.000 0.486 325 A N -0.911 121.939 122.820 0.049 0.000 2.475 325 A HA 1.014 5.334 4.320 0.001 0.000 0.301 325 A C -0.019 177.528 177.584 -0.062 0.000 1.059 325 A CA -0.053 51.999 52.037 0.027 0.000 0.710 325 A CB 2.004 21.061 19.000 0.095 0.000 1.288 325 A HN 2.063 nan 8.150 nan 0.000 0.408 326 G N -0.884 107.803 108.800 -0.190 0.000 2.695 326 G HA2 0.620 4.580 3.960 0.001 0.000 0.290 326 G HA3 0.620 4.580 3.960 0.001 0.000 0.290 326 G C -2.128 172.575 174.900 -0.329 0.000 1.410 326 G CA -0.476 44.524 45.100 -0.168 0.000 0.844 326 G HN 1.607 nan 8.290 nan 0.000 0.478 327 Y N 0.897 121.024 120.300 -0.289 0.000 2.287 327 Y HA 0.470 5.020 4.550 0.000 0.000 0.321 327 Y C -1.723 174.170 175.900 -0.010 0.000 1.173 327 Y CA -1.733 56.233 58.100 -0.223 0.000 1.124 327 Y CB 1.961 40.258 38.460 -0.273 0.000 1.201 327 Y HN 0.549 nan 8.280 nan 0.000 0.421 328 D N 3.153 123.498 120.400 -0.092 0.000 2.352 328 D HA 0.262 4.903 4.640 0.001 0.000 0.245 328 D C 0.595 176.613 176.300 -0.469 0.000 1.224 328 D CA 0.738 54.621 54.000 -0.196 0.000 0.879 328 D CB 1.088 41.871 40.800 -0.029 0.000 1.057 328 D HN 0.523 nan 8.370 nan 0.000 0.491 329 S N 3.176 118.497 115.700 -0.632 0.000 2.514 329 S HA 0.108 4.578 4.470 0.001 0.000 0.223 329 S C 0.415 174.931 174.600 -0.141 0.000 1.046 329 S CA -0.472 57.354 58.200 -0.623 0.000 0.914 329 S CB 0.296 63.078 63.200 -0.697 0.000 0.807 329 S HN 0.328 nan 8.310 nan 0.000 0.497 330 L N 3.260 124.440 121.223 -0.071 0.000 2.324 330 L HA 0.689 5.029 4.340 0.001 0.000 0.274 330 L C -0.948 175.930 176.870 0.014 0.000 1.012 330 L CA -0.018 54.816 54.840 -0.010 0.000 0.859 330 L CB 1.456 43.482 42.059 -0.055 0.000 1.224 330 L HN 0.379 nan 8.230 nan 0.000 0.429 331 S N 2.701 118.440 115.700 0.065 0.000 2.540 331 S HA 0.456 4.926 4.470 0.001 0.000 0.275 331 S C 0.704 175.408 174.600 0.174 0.000 1.123 331 S CA -0.875 57.407 58.200 0.137 0.000 0.907 331 S CB 1.740 65.061 63.200 0.202 0.000 1.081 331 S HN 0.685 nan 8.310 nan 0.000 0.476 332 R N 1.538 122.163 120.500 0.209 0.000 2.139 332 R HA -0.087 4.254 4.340 0.001 0.000 0.243 332 R C 1.726 178.113 176.300 0.146 0.000 1.145 332 R CA 2.052 58.254 56.100 0.169 0.000 0.976 332 R CB -0.929 29.480 30.300 0.181 0.000 0.866 332 R HN 0.872 nan 8.270 nan 0.000 0.449 333 G N -0.973 107.941 108.800 0.189 0.000 2.880 333 G HA2 -0.084 3.876 3.960 0.001 0.000 0.209 333 G HA3 -0.084 3.876 3.960 0.001 0.000 0.209 333 G C -0.134 174.782 174.900 0.027 0.000 1.157 333 G CA 0.117 45.240 45.100 0.039 0.000 0.779 333 G HN 0.482 nan 8.290 nan 0.000 0.539 334 Q N -0.583 119.273 119.800 0.093 0.000 2.478 334 Q HA -0.139 4.201 4.340 0.001 0.000 0.286 334 Q C -0.732 175.300 176.000 0.052 0.000 1.299 334 Q CA 0.484 56.331 55.803 0.074 0.000 0.826 334 Q CB -1.349 27.423 28.738 0.057 0.000 1.199 334 Q HN 0.434 nan 8.270 nan 0.000 0.451 335 Q N 0.234 120.070 119.800 0.060 0.000 2.340 335 Q HA 0.473 4.813 4.340 0.001 0.000 0.259 335 Q C 0.467 176.586 176.000 0.199 0.000 0.964 335 Q CA 0.137 55.990 55.803 0.084 0.000 0.900 335 Q CB 1.714 30.449 28.738 -0.004 0.000 1.228 335 Q HN 0.355 nan 8.270 nan 0.000 0.449 336 G N 2.640 111.576 108.800 0.226 0.000 2.353 336 G HA2 0.501 4.461 3.960 0.001 0.000 0.284 336 G HA3 0.501 4.461 3.960 0.001 0.000 0.284 336 G C -0.736 174.414 174.900 0.416 0.000 1.172 336 G CA -0.339 44.972 45.100 0.352 0.000 0.854 336 G HN 0.503 nan 8.290 nan 0.000 0.485 337 L N 2.830 124.338 121.223 0.475 0.000 2.404 337 L HA 0.477 4.817 4.340 0.001 0.000 0.272 337 L C -1.420 175.760 176.870 0.516 0.000 0.980 337 L CA -0.852 54.266 54.840 0.463 0.000 0.836 337 L CB 1.859 44.163 42.059 0.408 0.000 1.238 337 L HN 0.499 nan 8.230 nan 0.000 0.408 338 F N 5.357 125.522 119.950 0.360 0.000 2.420 338 F HA 0.603 5.130 4.527 0.001 0.000 0.342 338 F C -0.359 175.640 175.800 0.333 0.000 1.113 338 F CA -0.344 57.838 58.000 0.303 0.000 1.059 338 F CB 1.189 40.255 39.000 0.110 0.000 1.128 338 F HN 0.217 nan 8.300 nan 0.000 0.475 339 I N 6.564 127.244 120.570 0.184 0.000 2.499 339 I HA 0.293 4.463 4.170 0.001 0.000 0.288 339 I C -1.452 174.801 176.117 0.226 0.000 1.048 339 I CA -0.822 60.622 61.300 0.240 0.000 1.062 339 I CB 1.746 39.845 38.000 0.165 0.000 1.238 339 I HN 0.289 nan 8.210 nan 0.000 0.426 340 L N 6.682 128.087 121.223 0.302 0.000 2.329 340 L HA 0.578 4.918 4.340 0.001 0.000 0.279 340 L C -0.122 176.805 176.870 0.095 0.000 1.014 340 L CA -0.318 54.657 54.840 0.226 0.000 0.814 340 L CB 1.525 43.772 42.059 0.314 0.000 1.257 340 L HN 0.678 nan 8.230 nan 0.000 0.424 341 E N 1.449 121.676 120.200 0.045 0.000 2.433 341 E HA 0.923 5.274 4.350 0.001 0.000 0.273 341 E C -0.834 175.713 176.600 -0.089 0.000 0.950 341 E CA -1.188 55.168 56.400 -0.073 0.000 0.796 341 E CB 2.545 32.253 29.700 0.015 0.000 1.330 341 E HN 0.606 nan 8.360 nan 0.000 0.455 342 G N -0.357 108.309 108.800 -0.223 0.000 2.489 342 G HA2 0.432 4.393 3.960 0.001 0.000 0.291 342 G HA3 0.432 4.393 3.960 0.001 0.000 0.291 342 G C -1.780 173.048 174.900 -0.120 0.000 1.487 342 G CA -0.570 44.466 45.100 -0.106 0.000 0.795 342 G HN 0.423 nan 8.290 nan 0.000 0.513 343 V N 1.742 121.659 119.914 0.005 0.000 2.483 343 V HA 0.555 4.676 4.120 0.001 0.000 0.297 343 V C -2.282 173.832 176.094 0.033 0.000 1.027 343 V CA -1.546 60.785 62.300 0.051 0.000 0.855 343 V CB 2.292 34.182 31.823 0.113 0.000 0.995 343 V HN 0.615 nan 8.190 nan 0.000 0.424 344 P HA 0.280 nan 4.420 nan 0.000 0.275 344 P C -0.073 177.243 177.300 0.028 0.000 1.227 344 P CA -0.030 63.080 63.100 0.017 0.000 0.781 344 P CB 0.682 32.379 31.700 -0.004 0.000 0.906 345 S N 1.714 117.437 115.700 0.038 0.000 2.576 345 S HA 0.029 4.499 4.470 0.001 0.000 0.272 345 S C 0.437 175.052 174.600 0.024 0.000 1.352 345 S CA -0.363 57.861 58.200 0.040 0.000 1.021 345 S CB -0.026 63.213 63.200 0.065 0.000 0.887 345 S HN 0.362 nan 8.310 nan 0.000 0.542 346 K N 0.747 121.161 120.400 0.023 0.000 2.440 346 K HA 0.174 4.495 4.320 0.001 0.000 0.275 346 K C 1.228 177.834 176.600 0.010 0.000 1.082 346 K CA 1.022 57.318 56.287 0.015 0.000 1.135 346 K CB -0.714 31.795 32.500 0.016 0.000 0.864 346 K HN 0.814 nan 8.250 nan 0.000 0.479 347 G N 2.170 110.969 108.800 -0.002 0.000 2.279 347 G HA2 -0.250 3.710 3.960 0.001 0.000 0.223 347 G HA3 -0.250 3.710 3.960 0.001 0.000 0.223 347 G C -0.140 174.736 174.900 -0.040 0.000 1.015 347 G CA -0.052 45.040 45.100 -0.013 0.000 0.621 347 G HN 0.557 nan 8.290 nan 0.000 0.506 348 V N 3.260 123.144 119.914 -0.050 0.000 2.530 348 V HA 0.532 4.652 4.120 0.001 0.000 0.282 348 V C 1.232 177.282 176.094 -0.074 0.000 1.048 348 V CA 0.360 62.596 62.300 -0.107 0.000 0.997 348 V CB 1.049 32.798 31.823 -0.123 0.000 0.987 348 V HN 0.802 nan 8.190 nan 0.000 0.477 349 T N 2.031 116.534 114.554 -0.085 0.000 2.913 349 T HA 0.331 4.681 4.350 0.001 0.000 0.287 349 T C 1.123 175.791 174.700 -0.054 0.000 1.008 349 T CA -0.496 61.570 62.100 -0.057 0.000 1.067 349 T CB 1.110 69.947 68.868 -0.052 0.000 0.996 349 T HN 0.325 nan 8.240 nan 0.000 0.513 350 I N 2.085 122.632 120.570 -0.038 0.000 2.248 350 I HA -0.122 4.048 4.170 0.001 0.000 0.248 350 I C 2.563 178.655 176.117 -0.043 0.000 1.107 350 I CA 2.007 63.284 61.300 -0.038 0.000 1.373 350 I CB -1.003 36.980 38.000 -0.029 0.000 1.055 350 I HN 0.924 nan 8.210 nan 0.000 0.418 351 A N -0.805 121.990 122.820 -0.041 0.000 1.898 351 A HA -0.261 4.059 4.320 0.001 0.000 0.216 351 A C 2.257 179.818 177.584 -0.039 0.000 1.181 351 A CA 1.780 53.794 52.037 -0.038 0.000 0.620 351 A CB -0.742 18.238 19.000 -0.034 0.000 0.819 351 A HN 0.516 nan 8.150 nan 0.000 0.442 352 Q N -0.068 119.697 119.800 -0.058 0.000 2.084 352 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 352 Q C 1.896 177.865 176.000 -0.052 0.000 0.978 352 Q CA 1.640 57.398 55.803 -0.076 0.000 0.844 352 Q CB -0.541 28.105 28.738 -0.153 0.000 0.898 352 Q HN 0.608 nan 8.270 nan 0.000 0.426 353 L N 0.268 121.461 121.223 -0.049 0.000 2.042 353 L HA -0.230 4.110 4.340 0.001 0.000 0.210 353 L C 2.365 179.234 176.870 -0.002 0.000 1.076 353 L CA 2.148 56.978 54.840 -0.016 0.000 0.749 353 L CB -0.398 41.644 42.059 -0.029 0.000 0.893 353 L HN 0.502 nan 8.230 nan 0.000 0.432 354 E N -0.941 119.250 120.200 -0.015 0.000 2.077 354 E HA -0.215 4.135 4.350 0.001 0.000 0.193 354 E C 1.850 178.465 176.600 0.025 0.000 0.989 354 E CA 1.818 58.216 56.400 -0.002 0.000 0.800 354 E CB 0.089 29.777 29.700 -0.021 0.000 0.746 354 E HN 0.467 nan 8.360 nan 0.000 0.452 355 T N 1.405 115.970 114.554 0.017 0.000 2.684 355 T HA -0.172 4.178 4.350 0.001 0.000 0.267 355 T C 1.294 176.021 174.700 0.045 0.000 1.036 355 T CA 1.540 63.657 62.100 0.029 0.000 1.148 355 T CB -0.402 68.477 68.868 0.018 0.000 0.863 355 T HN 0.221 nan 8.240 nan 0.000 0.436 356 D N 1.077 121.509 120.400 0.054 0.000 2.092 356 D HA -0.037 4.603 4.640 0.001 0.000 0.193 356 D C 2.232 178.566 176.300 0.056 0.000 0.994 356 D CA 0.844 54.887 54.000 0.072 0.000 0.828 356 D CB -0.479 40.389 40.800 0.113 0.000 0.963 356 D HN 0.305 nan 8.370 nan 0.000 0.450 357 L N 0.450 121.708 121.223 0.059 0.000 1.970 357 L HA -0.165 4.176 4.340 0.001 0.000 0.212 357 L C 2.653 179.573 176.870 0.083 0.000 1.071 357 L CA 1.314 56.197 54.840 0.072 0.000 0.751 357 L CB -0.379 41.730 42.059 0.083 0.000 0.889 357 L HN -0.046 nan 8.230 nan 0.000 0.432 358 R N -0.104 120.459 120.500 0.105 0.000 2.159 358 R HA -0.146 4.194 4.340 0.001 0.000 0.237 358 R C 2.367 178.684 176.300 0.028 0.000 1.131 358 R CA 1.159 57.322 56.100 0.104 0.000 0.982 358 R CB -0.490 29.898 30.300 0.147 0.000 0.868 358 R HN 0.397 nan 8.270 nan 0.000 0.453 359 A N 1.034 123.870 122.820 0.028 0.000 1.933 359 A HA -0.170 4.150 4.320 0.001 0.000 0.218 359 A C 1.982 179.559 177.584 -0.012 0.000 1.175 359 A CA 1.037 53.078 52.037 0.007 0.000 0.628 359 A CB -0.190 18.821 19.000 0.018 0.000 0.814 359 A HN 0.177 nan 8.150 nan 0.000 0.444 360 Q N -0.368 119.430 119.800 -0.005 0.000 2.170 360 Q HA -0.099 4.241 4.340 0.001 0.000 0.203 360 Q C 2.225 178.196 176.000 -0.048 0.000 0.976 360 Q CA 1.501 57.294 55.803 -0.017 0.000 0.858 360 Q CB -0.708 28.031 28.738 0.002 0.000 0.907 360 Q HN 0.493 nan 8.270 nan 0.000 0.433 361 V N 0.741 120.610 119.914 -0.074 0.000 2.446 361 V HA -0.154 3.966 4.120 0.001 0.000 0.244 361 V C 2.508 178.510 176.094 -0.154 0.000 1.039 361 V CA 1.509 63.714 62.300 -0.157 0.000 1.045 361 V CB -0.412 31.253 31.823 -0.264 0.000 0.681 361 V HN 0.292 nan 8.190 nan 0.000 0.459 362 R N 0.242 120.676 120.500 -0.109 0.000 2.096 362 R HA -0.203 4.138 4.340 0.001 0.000 0.235 362 R C 2.164 178.420 176.300 -0.073 0.000 1.127 362 R CA 2.022 58.068 56.100 -0.090 0.000 0.968 362 R CB -0.512 29.756 30.300 -0.053 0.000 0.861 362 R HN 0.621 nan 8.270 nan 0.000 0.440 363 D N 0.504 120.870 120.400 -0.057 0.000 2.097 363 D HA -0.168 4.472 4.640 0.001 0.000 0.195 363 D C 1.988 178.256 176.300 -0.053 0.000 0.989 363 D CA 1.379 55.351 54.000 -0.046 0.000 0.827 363 D CB -0.035 40.745 40.800 -0.033 0.000 0.966 363 D HN 0.360 nan 8.370 nan 0.000 0.456 364 I N 1.346 121.877 120.570 -0.066 0.000 2.163 364 I HA -0.293 3.877 4.170 0.001 0.000 0.243 364 I C 2.800 178.868 176.117 -0.082 0.000 1.085 364 I CA 1.246 62.504 61.300 -0.071 0.000 1.347 364 I CB -0.345 37.605 38.000 -0.082 0.000 1.044 364 I HN 0.012 nan 8.210 nan 0.000 0.408 365 A N 0.483 123.239 122.820 -0.106 0.000 1.948 365 A HA -0.234 4.087 4.320 0.001 0.000 0.220 365 A C 2.334 179.870 177.584 -0.079 0.000 1.177 365 A CA 2.295 54.266 52.037 -0.109 0.000 0.636 365 A CB -0.729 18.193 19.000 -0.131 0.000 0.815 365 A HN 0.499 nan 8.150 nan 0.000 0.449 366 A N -2.209 120.572 122.820 -0.065 0.000 2.220 366 A HA 0.299 4.619 4.320 0.001 0.000 0.211 366 A C 1.660 179.220 177.584 -0.040 0.000 1.176 366 A CA 0.981 52.988 52.037 -0.049 0.000 0.834 366 A CB 0.113 19.087 19.000 -0.043 0.000 0.868 366 A HN 0.450 nan 8.150 nan 0.000 0.488 367 K N -1.493 118.882 120.400 -0.041 0.000 2.517 367 K HA 0.365 4.685 4.320 0.001 0.000 0.210 367 K C 0.862 177.443 176.600 -0.032 0.000 1.166 367 K CA 0.332 56.600 56.287 -0.033 0.000 1.030 367 K CB 1.100 33.583 32.500 -0.028 0.000 0.974 367 K HN 0.523 nan 8.250 nan 0.000 0.585 368 G N 1.398 110.173 108.800 -0.041 0.000 2.641 368 G HA2 -0.293 3.667 3.960 0.001 0.000 0.254 368 G HA3 -0.293 3.667 3.960 0.001 0.000 0.254 368 G C -0.153 174.728 174.900 -0.031 0.000 1.315 368 G CA -0.153 44.924 45.100 -0.039 0.000 0.907 368 G HN 0.279 nan 8.290 nan 0.000 0.572 369 V N -3.153 116.747 119.914 -0.024 0.000 3.113 369 V HA 0.971 5.091 4.120 0.001 0.000 0.316 369 V C 0.672 176.761 176.094 -0.008 0.000 1.125 369 V CA 0.265 62.557 62.300 -0.013 0.000 1.026 369 V CB 1.461 33.279 31.823 -0.007 0.000 1.080 369 V HN 2.014 nan 8.190 nan 0.000 0.444 370 T N -1.771 112.783 114.554 -0.000 0.000 2.929 370 T HA 0.468 4.818 4.350 0.001 0.000 0.284 370 T C 0.641 175.343 174.700 0.004 0.000 1.014 370 T CA -0.438 61.663 62.100 0.001 0.000 1.051 370 T CB 1.705 70.577 68.868 0.006 0.000 1.028 370 T HN 0.692 nan 8.240 nan 0.000 0.485 371 E N 1.144 121.344 120.200 0.000 0.000 2.085 371 E HA -0.125 4.225 4.350 0.001 0.000 0.194 371 E C 2.391 178.993 176.600 0.004 0.000 0.994 371 E CA 1.691 58.090 56.400 -0.001 0.000 0.801 371 E CB -1.009 28.688 29.700 -0.005 0.000 0.743 371 E HN 0.848 nan 8.360 nan 0.000 0.453 372 A N 1.041 123.866 122.820 0.009 0.000 1.883 372 A HA -0.241 4.079 4.320 0.001 0.000 0.217 372 A C 2.167 179.767 177.584 0.026 0.000 1.186 372 A CA 1.853 53.898 52.037 0.014 0.000 0.624 372 A CB -0.587 18.424 19.000 0.018 0.000 0.822 372 A HN 0.273 nan 8.150 nan 0.000 0.444 373 E N -1.005 119.217 120.200 0.036 0.000 2.118 373 E HA -0.210 4.140 4.350 0.001 0.000 0.195 373 E C 1.862 178.492 176.600 0.051 0.000 0.992 373 E CA 1.372 57.806 56.400 0.057 0.000 0.804 373 E CB -0.159 29.568 29.700 0.045 0.000 0.741 373 E HN 0.505 nan 8.360 nan 0.000 0.458 374 L N -0.154 121.084 121.223 0.026 0.000 2.095 374 L HA -0.046 4.295 4.340 0.001 0.000 0.204 374 L C 2.199 179.074 176.870 0.009 0.000 1.080 374 L CA 1.437 56.286 54.840 0.016 0.000 0.759 374 L CB -0.352 41.707 42.059 0.000 0.000 0.914 374 L HN -0.049 nan 8.230 nan 0.000 0.439 375 S N -0.498 115.204 115.700 0.004 0.000 2.383 375 S HA -0.178 4.292 4.470 0.001 0.000 0.229 375 S C 2.047 176.646 174.600 -0.001 0.000 1.030 375 S CA 1.187 59.385 58.200 -0.004 0.000 1.002 375 S CB -0.258 62.938 63.200 -0.005 0.000 0.829 375 S HN 0.418 nan 8.310 nan 0.000 0.467 376 R N 0.308 120.813 120.500 0.009 0.000 2.070 376 R HA -0.056 4.285 4.340 0.001 0.000 0.233 376 R C 2.273 178.581 176.300 0.014 0.000 1.137 376 R CA 1.365 57.464 56.100 -0.003 0.000 0.945 376 R CB -0.885 29.424 30.300 0.014 0.000 0.845 376 R HN 0.286 nan 8.270 nan 0.000 0.430 377 V N 1.813 121.756 119.914 0.048 0.000 2.231 377 V HA -0.329 3.791 4.120 0.001 0.000 0.248 377 V C 2.270 178.384 176.094 0.034 0.000 1.054 377 V CA 1.961 64.296 62.300 0.057 0.000 1.015 377 V CB -0.495 31.363 31.823 0.059 0.000 0.638 377 V HN 0.351 nan 8.190 nan 0.000 0.444 378 K N 0.030 120.435 120.400 0.008 0.000 2.059 378 K HA -0.239 4.082 4.320 0.001 0.000 0.212 378 K C 2.491 179.103 176.600 0.019 0.000 1.050 378 K CA 1.964 58.247 56.287 -0.007 0.000 0.927 378 K CB -0.473 32.007 32.500 -0.033 0.000 0.714 378 K HN 0.461 nan 8.250 nan 0.000 0.447 379 S N 0.743 116.445 115.700 0.004 0.000 2.383 379 S HA -0.165 4.306 4.470 0.001 0.000 0.227 379 S C 1.945 176.539 174.600 -0.010 0.000 1.026 379 S CA 1.130 59.327 58.200 -0.005 0.000 0.981 379 S CB -0.051 63.136 63.200 -0.021 0.000 0.818 379 S HN 0.269 nan 8.310 nan 0.000 0.472 380 Q N -0.229 119.569 119.800 -0.003 0.000 2.224 380 Q HA -0.006 4.335 4.340 0.001 0.000 0.203 380 Q C 2.173 178.184 176.000 0.018 0.000 0.970 380 Q CA 1.359 57.164 55.803 0.004 0.000 0.865 380 Q CB -0.159 28.591 28.738 0.020 0.000 0.922 380 Q HN 0.611 nan 8.270 nan 0.000 0.445 381 M N -0.598 119.039 119.600 0.061 0.000 2.156 381 M HA -0.147 4.333 4.480 0.001 0.000 0.264 381 M C 2.171 178.497 176.300 0.044 0.000 1.067 381 M CA 0.963 56.333 55.300 0.116 0.000 1.131 381 M CB -0.018 32.751 32.600 0.282 0.000 1.368 381 M HN 0.035 nan 8.290 nan 0.000 0.416 382 V N 0.579 120.529 119.914 0.059 0.000 2.282 382 V HA -0.321 3.799 4.120 0.001 0.000 0.249 382 V C 2.577 178.563 176.094 -0.180 0.000 1.057 382 V CA 2.205 64.497 62.300 -0.014 0.000 1.032 382 V CB -1.337 30.494 31.823 0.013 0.000 0.645 382 V HN 0.546 nan 8.190 nan 0.000 0.447 383 A N 0.303 122.972 122.820 -0.252 0.000 1.897 383 A HA -0.007 4.314 4.320 0.001 0.000 0.215 383 A C 2.458 179.575 177.584 -0.778 0.000 1.181 383 A CA 1.703 53.391 52.037 -0.583 0.000 0.620 383 A CB -1.284 17.354 19.000 -0.602 0.000 0.821 383 A HN 0.527 nan 8.150 nan 0.000 0.443 384 G N 0.051 108.628 108.800 -0.371 0.000 2.513 384 G HA2 -0.342 3.618 3.960 0.001 0.000 0.219 384 G HA3 -0.342 3.618 3.960 0.001 0.000 0.219 384 G C 1.609 176.422 174.900 -0.145 0.000 1.160 384 G CA 1.632 46.651 45.100 -0.136 0.000 0.767 384 G HN 0.448 nan 8.290 nan 0.000 0.571 385 K N -0.078 120.194 120.400 -0.213 0.000 2.152 385 K HA -0.015 4.305 4.320 0.001 0.000 0.206 385 K C 2.593 179.090 176.600 -0.171 0.000 1.048 385 K CA 0.850 57.002 56.287 -0.225 0.000 0.933 385 K CB -0.497 31.775 32.500 -0.381 0.000 0.721 385 K HN 0.320 nan 8.250 nan 0.000 0.447 386 V N -0.578 119.206 119.914 -0.217 0.000 2.446 386 V HA -0.172 3.949 4.120 0.001 0.000 0.244 386 V C 1.817 177.912 176.094 0.001 0.000 1.039 386 V CA 1.247 63.464 62.300 -0.139 0.000 1.045 386 V CB -0.666 31.049 31.823 -0.180 0.000 0.681 386 V HN 0.247 nan 8.190 nan 0.000 0.459 387 Y N 1.657 121.939 120.300 -0.031 0.000 2.145 387 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 387 Y C 2.802 178.689 175.900 -0.022 0.000 1.145 387 Y CA 1.319 59.407 58.100 -0.021 0.000 1.148 387 Y CB -0.233 38.219 38.460 -0.013 0.000 0.981 387 Y HN 0.402 nan 8.280 nan 0.000 0.507 388 E N 0.818 121.098 120.200 0.133 0.000 2.472 388 E HA -0.215 4.135 4.350 0.001 0.000 0.200 388 E C 1.364 177.980 176.600 0.027 0.000 1.046 388 E CA 0.798 57.236 56.400 0.064 0.000 0.871 388 E CB -0.377 29.347 29.700 0.039 0.000 0.806 388 E HN 0.607 nan 8.360 nan 0.000 0.533 389 Q N 0.325 120.137 119.800 0.021 0.000 2.472 389 Q HA -0.092 4.248 4.340 0.001 0.000 0.208 389 Q C 0.888 176.892 176.000 0.006 0.000 0.958 389 Q CA 1.026 56.827 55.803 -0.003 0.000 0.932 389 Q CB 0.150 28.879 28.738 -0.015 0.000 1.007 389 Q HN 0.282 nan 8.270 nan 0.000 0.508 390 D N -0.399 120.017 120.400 0.027 0.000 2.305 390 D HA -0.017 4.624 4.640 0.001 0.000 0.206 390 D C 0.074 176.380 176.300 0.010 0.000 0.974 390 D CA 0.189 54.202 54.000 0.021 0.000 0.871 390 D CB 0.411 41.230 40.800 0.032 0.000 0.947 390 D HN -0.071 nan 8.370 nan 0.000 0.516 391 S N -0.288 115.416 115.700 0.008 0.000 2.499 391 S HA 0.267 4.737 4.470 0.001 0.000 0.279 391 S C 1.294 175.891 174.600 -0.005 0.000 1.219 391 S CA -0.666 57.536 58.200 0.002 0.000 1.062 391 S CB 0.596 63.796 63.200 0.001 0.000 0.978 391 S HN 0.185 nan 8.310 nan 0.000 0.489 392 L N 4.327 125.548 121.223 -0.003 0.000 2.109 392 L HA -0.021 4.319 4.340 0.001 0.000 0.207 392 L C 2.482 179.351 176.870 -0.002 0.000 1.086 392 L CA 0.706 55.543 54.840 -0.005 0.000 0.760 392 L CB -0.487 41.575 42.059 0.006 0.000 0.910 392 L HN 0.627 nan 8.230 nan 0.000 0.437 393 M N 1.008 120.606 119.600 -0.003 0.000 2.067 393 M HA -0.062 4.418 4.480 0.001 0.000 0.260 393 M C 2.132 178.422 176.300 -0.017 0.000 1.069 393 M CA 2.151 57.436 55.300 -0.025 0.000 1.117 393 M CB -1.191 31.378 32.600 -0.052 0.000 1.334 393 M HN 0.109 nan 8.290 nan 0.000 0.407 394 G N -0.739 108.053 108.800 -0.013 0.000 2.469 394 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 394 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 394 G C 1.544 176.441 174.900 -0.004 0.000 1.150 394 G CA 0.986 46.084 45.100 -0.003 0.000 0.763 394 G HN 0.628 nan 8.290 nan 0.000 0.561 395 Q N -0.201 119.590 119.800 -0.016 0.000 2.119 395 Q HA 0.060 4.401 4.340 0.001 0.000 0.201 395 Q C 3.054 179.025 176.000 -0.049 0.000 0.972 395 Q CA 0.981 56.762 55.803 -0.037 0.000 0.847 395 Q CB -0.195 28.513 28.738 -0.050 0.000 0.903 395 Q HN 0.486 nan 8.270 nan 0.000 0.433 396 A N 0.293 123.102 122.820 -0.018 0.000 1.877 396 A HA -0.189 4.131 4.320 0.001 0.000 0.216 396 A C 2.214 179.808 177.584 0.018 0.000 1.186 396 A CA 1.972 54.012 52.037 0.004 0.000 0.620 396 A CB -0.928 18.114 19.000 0.069 0.000 0.822 396 A HN 0.344 nan 8.150 nan 0.000 0.443 397 T N -0.416 114.200 114.554 0.102 0.000 2.746 397 T HA -0.190 4.160 4.350 0.001 0.000 0.267 397 T C 2.055 176.721 174.700 -0.057 0.000 1.039 397 T CA 1.484 63.716 62.100 0.219 0.000 1.142 397 T CB -0.274 68.742 68.868 0.248 0.000 0.866 397 T HN 0.589 nan 8.240 nan 0.000 0.444 398 Q N 0.493 120.251 119.800 -0.071 0.000 1.975 398 Q HA -0.134 4.206 4.340 0.001 0.000 0.205 398 Q C 2.386 178.247 176.000 -0.231 0.000 0.990 398 Q CA 1.694 57.428 55.803 -0.115 0.000 0.845 398 Q CB -0.378 28.322 28.738 -0.063 0.000 0.913 398 Q HN 0.507 nan 8.270 nan 0.000 0.420 399 I N 0.208 120.648 120.570 -0.218 0.000 2.113 399 I HA -0.325 3.845 4.170 0.001 0.000 0.242 399 I C 2.374 178.173 176.117 -0.529 0.000 1.064 399 I CA 1.521 62.672 61.300 -0.249 0.000 1.320 399 I CB -0.794 37.085 38.000 -0.202 0.000 1.028 399 I HN 0.424 nan 8.210 nan 0.000 0.406 400 G N 0.142 108.364 108.800 -0.964 0.000 2.418 400 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 400 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 400 G C 1.723 175.473 174.900 -1.917 0.000 1.158 400 G CA 0.790 44.611 45.100 -2.132 0.000 0.771 400 G HN 0.529 nan 8.290 nan 0.000 0.545 401 G N 0.624 108.617 108.800 -1.344 0.000 2.475 401 G HA2 -0.150 3.811 3.960 0.001 0.000 0.220 401 G HA3 -0.150 3.811 3.960 0.001 0.000 0.220 401 G C 1.745 176.435 174.900 -0.349 0.000 1.125 401 G CA 0.937 45.684 45.100 -0.589 0.000 0.755 401 G HN 0.449 nan 8.290 nan 0.000 0.565 402 L N -0.673 120.333 121.223 -0.362 0.000 2.130 402 L HA 0.152 4.493 4.340 0.001 0.000 0.200 402 L C 2.832 179.582 176.870 -0.201 0.000 1.075 402 L CA 0.526 55.228 54.840 -0.230 0.000 0.768 402 L CB -0.311 41.632 42.059 -0.194 0.000 0.933 402 L HN 0.019 nan 8.230 nan 0.000 0.451 403 E N 0.024 120.069 120.200 -0.258 0.000 2.110 403 E HA -0.198 4.152 4.350 0.001 0.000 0.193 403 E C 2.241 178.759 176.600 -0.137 0.000 0.988 403 E CA 1.085 57.377 56.400 -0.179 0.000 0.804 403 E CB -0.290 29.297 29.700 -0.188 0.000 0.745 403 E HN 0.217 nan 8.360 nan 0.000 0.458 404 V N 0.851 120.663 119.914 -0.170 0.000 2.720 404 V HA -0.200 3.920 4.120 0.001 0.000 0.256 404 V C 1.907 178.029 176.094 0.048 0.000 1.082 404 V CA 1.047 63.343 62.300 -0.007 0.000 1.101 404 V CB -0.148 31.752 31.823 0.128 0.000 0.693 404 V HN 0.117 nan 8.190 nan 0.000 0.479 405 L N 0.529 121.758 121.223 0.012 0.000 2.591 405 L HA 0.392 4.733 4.340 0.001 0.000 0.228 405 L C 1.684 178.562 176.870 0.014 0.000 1.133 405 L CA 1.301 56.166 54.840 0.042 0.000 0.880 405 L CB -0.248 41.830 42.059 0.030 0.000 1.033 405 L HN 0.464 nan 8.230 nan 0.000 0.450 406 G N -1.183 107.610 108.800 -0.011 0.000 2.141 406 G HA2 -0.230 3.730 3.960 0.001 0.000 0.242 406 G HA3 -0.230 3.730 3.960 0.001 0.000 0.242 406 G C 0.267 175.144 174.900 -0.038 0.000 0.982 406 G CA 0.427 45.517 45.100 -0.017 0.000 0.662 406 G HN 0.273 nan 8.290 nan 0.000 0.527 407 L N -0.585 120.601 121.223 -0.060 0.000 2.585 407 L HA 0.888 5.229 4.340 0.001 0.000 0.260 407 L C 0.740 177.540 176.870 -0.116 0.000 1.085 407 L CA -0.788 54.003 54.840 -0.083 0.000 0.913 407 L CB 1.586 43.593 42.059 -0.087 0.000 1.638 407 L HN 0.161 nan 8.230 nan 0.000 0.531 408 S N -0.826 114.778 115.700 -0.159 0.000 2.513 408 S HA 0.235 4.706 4.470 0.001 0.000 0.299 408 S C 0.642 175.103 174.600 -0.232 0.000 1.087 408 S CA -0.857 57.193 58.200 -0.250 0.000 1.012 408 S CB 0.965 63.926 63.200 -0.399 0.000 1.044 408 S HN 0.699 nan 8.310 nan 0.000 0.485 409 W N 4.935 126.158 121.300 -0.127 0.000 2.321 409 W HA -0.184 4.477 4.660 0.001 0.000 0.285 409 W C 0.952 177.413 176.519 -0.098 0.000 1.213 409 W CA 0.788 58.053 57.345 -0.133 0.000 1.205 409 W CB -0.728 28.650 29.460 -0.137 0.000 1.134 409 W HN 0.699 nan 8.180 nan 0.000 0.549 410 R N 0.754 120.778 120.500 -0.793 0.000 2.189 410 R HA -0.097 4.243 4.340 0.001 0.000 0.223 410 R C 1.577 177.723 176.300 -0.256 0.000 1.092 410 R CA 1.474 57.157 56.100 -0.695 0.000 0.989 410 R CB -0.388 29.339 30.300 -0.955 0.000 0.876 410 R HN 0.078 nan 8.270 nan 0.000 0.457 411 D N 0.758 121.040 120.400 -0.198 0.000 2.219 411 D HA -0.154 4.487 4.640 0.001 0.000 0.205 411 D C 1.293 177.612 176.300 0.032 0.000 0.970 411 D CA 1.125 55.082 54.000 -0.071 0.000 0.851 411 D CB -0.233 40.514 40.800 -0.088 0.000 0.943 411 D HN 0.231 nan 8.370 nan 0.000 0.488 412 D N 0.524 120.934 120.400 0.016 0.000 2.149 412 D HA -0.192 4.448 4.640 0.001 0.000 0.198 412 D C 1.572 177.995 176.300 0.205 0.000 0.990 412 D CA 1.237 55.297 54.000 0.101 0.000 0.839 412 D CB 0.116 40.954 40.800 0.064 0.000 0.948 412 D HN 0.034 nan 8.370 nan 0.000 0.460 413 D N -1.041 119.441 120.400 0.136 0.000 2.123 413 D HA -0.044 4.596 4.640 0.001 0.000 0.200 413 D C 2.138 178.545 176.300 0.177 0.000 0.976 413 D CA 0.816 54.914 54.000 0.163 0.000 0.831 413 D CB 0.139 40.993 40.800 0.091 0.000 0.974 413 D HN 0.083 nan 8.370 nan 0.000 0.469 414 R N -0.722 119.843 120.500 0.110 0.000 2.070 414 R HA -0.105 4.236 4.340 0.001 0.000 0.232 414 R C 2.156 178.512 176.300 0.094 0.000 1.138 414 R CA 1.207 57.350 56.100 0.072 0.000 0.936 414 R CB -0.701 29.634 30.300 0.058 0.000 0.839 414 R HN 0.175 nan 8.270 nan 0.000 0.429 415 F N 0.776 120.736 119.950 0.017 0.000 2.050 415 F HA -0.402 4.126 4.527 0.000 0.000 0.294 415 F C 2.265 178.050 175.800 -0.025 0.000 1.113 415 F CA 2.068 60.096 58.000 0.048 0.000 1.225 415 F CB -0.935 38.136 39.000 0.119 0.000 0.953 415 F HN 0.070 nan 8.300 nan 0.000 0.501 416 Y N 0.211 120.549 120.300 0.064 0.000 2.097 416 Y HA -0.329 4.221 4.550 0.001 0.000 0.282 416 Y C 2.707 178.530 175.900 -0.129 0.000 1.152 416 Y CA 2.140 60.212 58.100 -0.046 0.000 1.136 416 Y CB -0.695 37.779 38.460 0.023 0.000 0.975 416 Y HN 0.221 nan 8.280 nan 0.000 0.498 417 Q N 0.091 119.774 119.800 -0.195 0.000 2.061 417 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 417 Q C 2.263 178.042 176.000 -0.370 0.000 0.984 417 Q CA 2.038 57.660 55.803 -0.301 0.000 0.846 417 Q CB -0.241 28.433 28.738 -0.105 0.000 0.902 417 Q HN 0.469 nan 8.270 nan 0.000 0.421 418 Q N -0.611 118.941 119.800 -0.413 0.000 2.124 418 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 418 Q C 1.939 177.549 176.000 -0.650 0.000 0.977 418 Q CA 0.826 56.271 55.803 -0.598 0.000 0.850 418 Q CB -0.233 27.895 28.738 -1.017 0.000 0.901 418 Q HN 0.314 nan 8.270 nan 0.000 0.429 419 L N 0.716 121.555 121.223 -0.640 0.000 2.012 419 L HA -0.169 4.171 4.340 0.001 0.000 0.210 419 L C 2.368 179.036 176.870 -0.336 0.000 1.073 419 L CA 1.690 56.267 54.840 -0.438 0.000 0.748 419 L CB -0.767 41.069 42.059 -0.371 0.000 0.891 419 L HN 0.147 nan 8.230 nan 0.000 0.431 420 R N -0.860 119.382 120.500 -0.429 0.000 2.170 420 R HA -0.152 4.188 4.340 0.001 0.000 0.242 420 R C 2.229 178.397 176.300 -0.220 0.000 1.145 420 R CA 1.426 57.323 56.100 -0.338 0.000 0.984 420 R CB -0.286 29.761 30.300 -0.422 0.000 0.869 420 R HN 0.557 nan 8.270 nan 0.000 0.455 421 S N -0.352 115.215 115.700 -0.222 0.000 2.562 421 S HA 0.035 4.505 4.470 0.001 0.000 0.221 421 S C 0.767 175.304 174.600 -0.105 0.000 0.975 421 S CA -0.276 57.834 58.200 -0.151 0.000 0.918 421 S CB 0.158 63.265 63.200 -0.154 0.000 0.772 421 S HN -0.074 nan 8.310 nan 0.000 0.531 422 V N 4.086 123.937 119.914 -0.104 0.000 2.485 422 V HA 0.232 4.352 4.120 0.001 0.000 0.287 422 V C 1.059 177.127 176.094 -0.045 0.000 1.022 422 V CA 0.181 62.449 62.300 -0.054 0.000 1.067 422 V CB 0.008 31.812 31.823 -0.033 0.000 0.967 422 V HN 0.665 nan 8.190 nan 0.000 0.479 423 T N 2.468 117.003 114.554 -0.032 0.000 2.902 423 T HA 0.568 4.918 4.350 0.001 0.000 0.280 423 T C 1.235 175.920 174.700 -0.025 0.000 0.992 423 T CA -0.137 61.946 62.100 -0.029 0.000 1.015 423 T CB 1.712 70.564 68.868 -0.026 0.000 1.044 423 T HN 0.695 nan 8.240 nan 0.000 0.520 424 A N 0.618 123.424 122.820 -0.024 0.000 2.015 424 A HA 0.266 4.586 4.320 0.001 0.000 0.219 424 A C 2.514 180.082 177.584 -0.028 0.000 1.163 424 A CA 1.393 53.416 52.037 -0.023 0.000 0.646 424 A CB -1.395 17.593 19.000 -0.020 0.000 0.806 424 A HN 1.163 nan 8.150 nan 0.000 0.448 425 A N 0.040 122.844 122.820 -0.027 0.000 1.930 425 A HA -0.148 4.172 4.320 0.001 0.000 0.217 425 A C 1.888 179.452 177.584 -0.034 0.000 1.175 425 A CA 1.596 53.616 52.037 -0.029 0.000 0.627 425 A CB -0.415 18.570 19.000 -0.025 0.000 0.815 425 A HN 0.615 nan 8.150 nan 0.000 0.443 426 E N -0.411 119.772 120.200 -0.028 0.000 2.152 426 E HA -0.065 4.285 4.350 0.001 0.000 0.192 426 E C 1.910 178.486 176.600 -0.040 0.000 0.983 426 E CA 0.981 57.365 56.400 -0.027 0.000 0.818 426 E CB -0.137 29.557 29.700 -0.010 0.000 0.758 426 E HN 0.420 nan 8.360 nan 0.000 0.467 427 V N 1.568 121.459 119.914 -0.039 0.000 2.307 427 V HA -0.257 3.863 4.120 0.001 0.000 0.245 427 V C 2.323 178.369 176.094 -0.080 0.000 1.045 427 V CA 1.691 63.960 62.300 -0.052 0.000 1.024 427 V CB -0.429 31.374 31.823 -0.034 0.000 0.651 427 V HN 0.175 nan 8.190 nan 0.000 0.449 428 K N 0.325 120.684 120.400 -0.068 0.000 2.113 428 K HA -0.234 4.086 4.320 0.001 0.000 0.208 428 K C 2.020 178.561 176.600 -0.098 0.000 1.047 428 K CA 1.794 58.034 56.287 -0.078 0.000 0.928 428 K CB -0.254 32.211 32.500 -0.059 0.000 0.716 428 K HN 0.483 nan 8.250 nan 0.000 0.446 429 A N 0.144 122.910 122.820 -0.090 0.000 2.030 429 A HA 0.148 4.468 4.320 0.001 0.000 0.215 429 A C 2.130 179.632 177.584 -0.135 0.000 1.164 429 A CA 1.046 53.024 52.037 -0.098 0.000 0.697 429 A CB -0.281 18.677 19.000 -0.070 0.000 0.827 429 A HN 0.403 nan 8.150 nan 0.000 0.457 430 A N 0.262 122.992 122.820 -0.150 0.000 1.902 430 A HA 0.170 4.490 4.320 0.001 0.000 0.217 430 A C 2.438 179.826 177.584 -0.326 0.000 1.181 430 A CA 1.879 53.785 52.037 -0.219 0.000 0.623 430 A CB -0.898 17.982 19.000 -0.200 0.000 0.818 430 A HN 0.979 nan 8.150 nan 0.000 0.443 431 A N -0.172 122.473 122.820 -0.292 0.000 1.972 431 A HA 0.194 4.515 4.320 0.001 0.000 0.219 431 A C 2.444 179.832 177.584 -0.327 0.000 1.169 431 A CA 1.845 53.675 52.037 -0.344 0.000 0.635 431 A CB -0.899 17.954 19.000 -0.244 0.000 0.810 431 A HN 1.052 nan 8.150 nan 0.000 0.446 432 A N 0.993 123.671 122.820 -0.237 0.000 1.940 432 A HA -0.200 4.120 4.320 0.001 0.000 0.219 432 A C 2.144 179.593 177.584 -0.226 0.000 1.176 432 A CA 1.575 53.495 52.037 -0.194 0.000 0.631 432 A CB -0.521 18.399 19.000 -0.134 0.000 0.814 432 A HN 0.692 nan 8.150 nan 0.000 0.446 433 R N -0.940 119.399 120.500 -0.268 0.000 2.323 433 R HA 0.104 4.444 4.340 0.001 0.000 0.198 433 R C 0.086 176.141 176.300 -0.408 0.000 0.988 433 R CA 0.515 56.464 56.100 -0.253 0.000 1.041 433 R CB -0.329 29.853 30.300 -0.196 0.000 0.926 433 R HN 0.349 nan 8.270 nan 0.000 0.476 434 L N 0.747 121.589 121.223 -0.636 0.000 2.741 434 L HA 0.165 4.506 4.340 0.001 0.000 0.237 434 L C 1.218 177.672 176.870 -0.694 0.000 1.178 434 L CA 0.271 54.391 54.840 -1.200 0.000 0.973 434 L CB 0.192 41.366 42.059 -1.476 0.000 1.255 434 L HN 0.095 nan 8.230 nan 0.000 0.498 435 L N -1.417 119.626 121.223 -0.300 0.000 2.145 435 L HA 0.150 4.490 4.340 0.001 0.000 0.201 435 L C 1.433 178.326 176.870 0.039 0.000 1.075 435 L CA 1.006 55.780 54.840 -0.111 0.000 0.773 435 L CB -0.559 41.438 42.059 -0.104 0.000 0.936 435 L HN 0.166 nan 8.230 nan 0.000 0.451 436 T N -0.174 114.417 114.554 0.060 0.000 2.898 436 T HA 0.077 4.427 4.350 0.001 0.000 0.301 436 T C 0.443 175.291 174.700 0.245 0.000 1.049 436 T CA -0.169 61.998 62.100 0.111 0.000 1.095 436 T CB 0.604 69.515 68.868 0.072 0.000 0.976 436 T HN 0.391 nan 8.240 nan 0.000 0.539 437 D N 1.543 122.028 120.400 0.142 0.000 2.424 437 D HA 0.145 4.785 4.640 0.001 0.000 0.220 437 D C 0.847 177.142 176.300 -0.009 0.000 1.150 437 D CA -0.244 53.802 54.000 0.076 0.000 0.831 437 D CB 0.130 40.935 40.800 0.007 0.000 0.981 437 D HN 0.421 nan 8.370 nan 0.000 0.500 438 D N 0.557 120.972 120.400 0.026 0.000 2.218 438 D HA -0.107 4.533 4.640 0.001 0.000 0.204 438 D C 1.110 177.389 176.300 -0.036 0.000 0.976 438 D CA 1.606 55.604 54.000 -0.003 0.000 0.853 438 D CB 0.080 40.891 40.800 0.019 0.000 0.939 438 D HN 0.459 nan 8.370 nan 0.000 0.481 439 T N -1.402 113.139 114.554 -0.022 0.000 3.331 439 T HA 0.352 4.702 4.350 0.001 0.000 0.282 439 T C 0.007 174.513 174.700 -0.323 0.000 1.010 439 T CA -0.696 61.340 62.100 -0.108 0.000 0.928 439 T CB -0.117 68.784 68.868 0.054 0.000 1.154 439 T HN -0.109 nan 8.240 nan 0.000 0.516 440 L N 1.300 122.270 121.223 -0.423 0.000 2.329 440 L HA 0.770 5.111 4.340 0.001 0.000 0.279 440 L C -0.892 175.666 176.870 -0.520 0.000 1.014 440 L CA -0.183 54.218 54.840 -0.733 0.000 0.814 440 L CB 2.082 43.611 42.059 -0.882 0.000 1.257 440 L HN 0.106 nan 8.230 nan 0.000 0.424 441 T N 4.619 118.863 114.554 -0.518 0.000 2.770 441 T HA 0.544 4.894 4.350 0.001 0.000 0.283 441 T C -0.593 173.911 174.700 -0.326 0.000 0.988 441 T CA -0.357 61.535 62.100 -0.346 0.000 0.957 441 T CB 1.218 69.925 68.868 -0.268 0.000 0.930 441 T HN 0.398 nan 8.240 nan 0.000 0.443 442 V N 3.078 122.840 119.914 -0.252 0.000 2.383 442 V HA 0.705 4.826 4.120 0.001 0.000 0.275 442 V C 0.238 176.254 176.094 -0.130 0.000 1.036 442 V CA -0.803 61.376 62.300 -0.201 0.000 0.889 442 V CB 1.041 32.761 31.823 -0.171 0.000 0.985 442 V HN 1.042 nan 8.190 nan 0.000 0.459 443 A N 5.059 127.817 122.820 -0.104 0.000 2.291 443 A HA 0.740 5.060 4.320 0.001 0.000 0.311 443 A C -0.187 177.391 177.584 -0.009 0.000 1.224 443 A CA -0.736 51.277 52.037 -0.040 0.000 0.821 443 A CB 0.455 19.445 19.000 -0.017 0.000 1.172 443 A HN 1.021 nan 8.150 nan 0.000 0.494 444 N N 1.850 120.555 118.700 0.008 0.000 2.319 444 N HA 0.572 5.313 4.740 0.001 0.000 0.305 444 N C -0.878 174.684 175.510 0.087 0.000 1.103 444 N CA -0.840 52.229 53.050 0.031 0.000 0.815 444 N CB 1.764 40.247 38.487 -0.007 0.000 1.288 444 N HN 0.461 nan 8.380 nan 0.000 0.493 445 L N 2.933 124.246 121.223 0.149 0.000 2.265 445 L HA 0.471 4.812 4.340 0.001 0.000 0.289 445 L C -1.151 175.768 176.870 0.081 0.000 1.033 445 L CA -0.761 54.156 54.840 0.127 0.000 0.814 445 L CB 1.105 43.267 42.059 0.171 0.000 1.203 445 L HN 0.526 nan 8.230 nan 0.000 0.423 446 V N 8.083 128.026 119.914 0.048 0.000 2.385 446 V HA 0.330 4.450 4.120 0.001 0.000 0.269 446 V C -1.895 174.216 176.094 0.028 0.000 1.043 446 V CA -1.327 60.992 62.300 0.032 0.000 0.906 446 V CB 1.301 33.135 31.823 0.018 0.000 0.995 446 V HN 0.690 nan 8.190 nan 0.000 0.467 447 P HA 0.286 nan 4.420 nan 0.000 0.280 447 P C -0.922 176.386 177.300 0.013 0.000 1.244 447 P CA -0.270 62.842 63.100 0.020 0.000 0.784 447 P CB 1.143 32.856 31.700 0.023 0.000 0.913 448 L N 5.816 127.045 121.223 0.009 0.000 2.283 448 L HA 0.382 4.722 4.340 0.001 0.000 0.281 448 L C -2.180 174.693 176.870 0.005 0.000 1.033 448 L CA -2.188 52.656 54.840 0.006 0.000 0.848 448 L CB 1.301 43.363 42.059 0.005 0.000 1.226 448 L HN 0.161 nan 8.230 nan 0.000 0.429 449 P HA 0.274 nan 4.420 nan 0.000 0.278 449 P C -2.101 175.201 177.300 0.004 0.000 1.238 449 P CA -0.940 62.163 63.100 0.005 0.000 0.794 449 P CB -0.115 31.588 31.700 0.005 0.000 0.955 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.102 63.100 0.003 0.000 0.800 450 P CB 0.000 31.702 31.700 0.004 0.000 0.726