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 2fp8_1_B DATA FIRST_RESID 31 DATA SEQUENCE LKEILIEAPS YAPNSFTFDS TNKGFYTSVQ DGRVIKYEGP NSGFVDFAYA DATA SEQUENCE SPYWNKAFcE NSTDAEKRPL cGRTYDISYN LQNNQLYIVD CYYHLSVVGS DATA SEQUENCE EGGHATQLAT SVDGVPFKWL YAVTVDQRTG IVYFTDVSTL YDDRGVQQIM DATA SEQUENCE DTSDKTGRLI KYDPSTKETT LLLKELHVPG GAEVSADSSF VLVAEFLSHQ DATA SEQUENCE IVKYWLEGPK KGTAEVLVKI PNPGNIKRNA DGHFWVSSSE ELDGNMHGRV DATA SEQUENCE DPKGIKFDEF GNILEVIPLP PPFAGEHFEQ IQEHDGLLYI GTLFHGSVGI DATA SEQUENCE LVY 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 31 L HA 0.000 nan 4.340 nan 0.000 0.249 31 L C 0.000 176.865 176.870 -0.008 0.000 1.165 31 L CA 0.000 54.844 54.840 0.007 0.000 0.813 31 L CB 0.000 42.061 42.059 0.003 0.000 0.961 32 K N 3.300 123.689 120.400 -0.019 0.000 2.375 32 K HA 0.729 5.049 4.320 0.000 0.000 0.249 32 K C -1.293 175.277 176.600 -0.049 0.000 0.942 32 K CA -0.484 55.786 56.287 -0.028 0.000 0.806 32 K CB 2.601 35.088 32.500 -0.023 0.000 1.227 32 K HN 0.570 nan 8.250 nan 0.000 0.430 33 E N 4.170 124.343 120.200 -0.045 0.000 2.248 33 E HA 0.382 4.732 4.350 0.000 0.000 0.267 33 E C -1.272 175.298 176.600 -0.050 0.000 0.877 33 E CA -0.845 55.522 56.400 -0.055 0.000 0.759 33 E CB 1.251 30.933 29.700 -0.030 0.000 1.182 33 E HN 0.649 nan 8.360 nan 0.000 0.418 34 I N 4.972 125.498 120.570 -0.075 0.000 2.404 34 I HA 0.314 4.484 4.170 0.000 0.000 0.293 34 I C -0.639 175.452 176.117 -0.044 0.000 0.992 34 I CA -0.783 60.479 61.300 -0.063 0.000 1.149 34 I CB 1.371 39.314 38.000 -0.094 0.000 1.315 34 I HN 0.395 nan 8.210 nan 0.000 0.446 35 L N 7.401 128.618 121.223 -0.011 0.000 2.305 35 L HA 0.569 4.909 4.340 0.000 0.000 0.284 35 L C -0.663 176.229 176.870 0.036 0.000 1.013 35 L CA -0.455 54.394 54.840 0.015 0.000 0.819 35 L CB 1.596 43.657 42.059 0.004 0.000 1.227 35 L HN 0.490 nan 8.230 nan 0.000 0.417 36 I N 3.055 123.660 120.570 0.058 0.000 2.405 36 I HA 0.195 4.365 4.170 0.000 0.000 0.280 36 I C 0.314 176.540 176.117 0.181 0.000 1.027 36 I CA -0.371 60.992 61.300 0.104 0.000 1.161 36 I CB 1.628 39.640 38.000 0.020 0.000 1.300 36 I HN 0.639 nan 8.210 nan 0.000 0.463 37 E N 5.131 125.432 120.200 0.169 0.000 2.415 37 E HA 0.352 4.702 4.350 0.000 0.000 0.263 37 E C -0.487 176.219 176.600 0.177 0.000 0.995 37 E CA -0.198 56.292 56.400 0.149 0.000 0.915 37 E CB 0.934 30.707 29.700 0.121 0.000 0.951 37 E HN 0.691 nan 8.360 nan 0.000 0.449 38 A N 5.681 128.503 122.820 0.003 0.000 2.311 38 A HA 0.612 4.932 4.320 0.000 0.000 0.334 38 A C -2.358 175.084 177.584 -0.236 0.000 1.139 38 A CA -1.510 50.312 52.037 -0.359 0.000 0.830 38 A CB 0.894 19.599 19.000 -0.492 0.000 1.234 38 A HN 0.562 nan 8.150 nan 0.000 0.483 39 P HA 0.237 nan 4.420 nan 0.000 0.272 39 P C 0.636 177.881 177.300 -0.091 0.000 1.240 39 P CA 0.933 63.957 63.100 -0.127 0.000 0.791 39 P CB 1.019 32.650 31.700 -0.114 0.000 0.978 40 S N 0.354 116.063 115.700 0.015 0.000 3.961 40 S HA -0.258 4.212 4.470 0.000 0.000 0.627 40 S C -0.659 174.037 174.600 0.160 0.000 2.148 40 S CA 1.235 59.480 58.200 0.075 0.000 4.099 40 S CB -1.685 61.547 63.200 0.054 0.000 0.219 40 S HN 0.750 nan 8.310 nan 0.000 0.744 41 Y N -0.207 120.076 120.300 -0.027 0.000 2.624 41 Y HA 0.496 5.046 4.550 0.000 0.000 0.334 41 Y C -0.130 175.761 175.900 -0.016 0.000 1.155 41 Y CA 0.566 58.664 58.100 -0.003 0.000 1.046 41 Y CB 1.111 39.580 38.460 0.014 0.000 1.316 41 Y HN 2.069 nan 8.280 nan 0.000 0.457 42 A N 3.101 125.675 122.820 -0.410 0.000 2.475 42 A HA -0.122 4.198 4.320 0.000 0.000 0.295 42 A C -2.868 174.616 177.584 -0.167 0.000 1.457 42 A CA 0.257 52.147 52.037 -0.245 0.000 0.734 42 A CB -1.985 16.968 19.000 -0.078 0.000 1.118 42 A HN 0.320 nan 8.150 nan 0.000 0.400 43 P HA 0.121 nan 4.420 nan 0.000 0.273 43 P C 0.752 177.899 177.300 -0.254 0.000 1.319 43 P CA 0.099 63.102 63.100 -0.163 0.000 0.885 43 P CB 0.116 31.811 31.700 -0.008 0.000 1.015 44 N N 1.796 120.290 118.700 -0.343 0.000 2.388 44 N HA -0.011 4.729 4.740 0.000 0.000 0.176 44 N C 0.040 175.291 175.510 -0.431 0.000 1.062 44 N CA -0.025 52.849 53.050 -0.293 0.000 0.895 44 N CB 0.326 38.685 38.487 -0.213 0.000 1.018 44 N HN 0.353 nan 8.380 nan 0.000 0.456 45 S N -0.787 114.486 115.700 -0.711 0.000 2.638 45 S HA 0.752 5.222 4.470 0.000 0.000 0.274 45 S C -1.376 172.634 174.600 -0.982 0.000 1.157 45 S CA -0.878 56.930 58.200 -0.652 0.000 0.826 45 S CB 1.409 64.454 63.200 -0.257 0.000 1.139 45 S HN 0.058 nan 8.310 nan 0.000 0.474 46 F N -0.177 119.711 119.950 -0.103 0.000 2.601 46 F HA 0.830 5.357 4.527 0.000 0.000 0.309 46 F C 0.414 176.027 175.800 -0.311 0.000 1.089 46 F CA -0.506 57.336 58.000 -0.264 0.000 0.940 46 F CB 2.412 41.120 39.000 -0.487 0.000 1.273 46 F HN 0.831 nan 8.300 nan 0.000 0.450 47 T N 1.238 115.624 114.554 -0.280 0.000 2.812 47 T HA 0.805 5.155 4.350 0.000 0.000 0.294 47 T C -1.952 172.374 174.700 -0.623 0.000 1.159 47 T CA -0.636 61.282 62.100 -0.303 0.000 1.008 47 T CB 0.983 69.854 68.868 0.004 0.000 1.289 47 T HN 0.337 nan 8.240 nan 0.000 0.514 48 F N 1.548 121.522 119.950 0.040 0.000 2.578 48 F HA 0.492 5.019 4.527 0.000 0.000 0.311 48 F C -0.030 175.641 175.800 -0.215 0.000 1.094 48 F CA -1.054 56.913 58.000 -0.055 0.000 0.923 48 F CB 1.737 40.566 39.000 -0.285 0.000 1.230 48 F HN 0.611 nan 8.300 nan 0.000 0.450 49 D N -0.518 119.744 120.400 -0.231 0.000 2.478 49 D HA 0.269 4.909 4.640 0.000 0.000 0.263 49 D C 1.029 177.196 176.300 -0.222 0.000 1.153 49 D CA -0.617 52.963 54.000 -0.700 0.000 1.038 49 D CB 0.848 40.985 40.800 -1.105 0.000 1.120 49 D HN 0.321 nan 8.370 nan 0.000 0.564 50 S N -1.513 114.069 115.700 -0.197 0.000 2.370 50 S HA -0.201 4.269 4.470 0.000 0.000 0.226 50 S C 1.938 176.524 174.600 -0.022 0.000 1.033 50 S CA 2.170 60.340 58.200 -0.050 0.000 1.011 50 S CB -1.032 62.158 63.200 -0.016 0.000 0.852 50 S HN 0.724 nan 8.310 nan 0.000 0.457 51 T N 0.039 114.570 114.554 -0.038 0.000 2.929 51 T HA -0.143 4.207 4.350 0.000 0.000 0.271 51 T C 0.981 175.689 174.700 0.013 0.000 1.085 51 T CA 1.559 63.651 62.100 -0.013 0.000 1.125 51 T CB -0.676 68.179 68.868 -0.021 0.000 0.874 51 T HN 0.443 nan 8.240 nan 0.000 0.494 52 N N 0.840 119.563 118.700 0.039 0.000 2.727 52 N HA -0.141 4.599 4.740 0.000 0.000 0.249 52 N C -0.936 174.642 175.510 0.113 0.000 1.048 52 N CA 0.627 53.749 53.050 0.120 0.000 0.714 52 N CB -1.164 37.397 38.487 0.122 0.000 0.959 52 N HN 0.561 nan 8.380 nan 0.000 0.544 53 K N 0.683 121.120 120.400 0.061 0.000 2.292 53 K HA 0.567 4.887 4.320 0.000 0.000 0.257 53 K C 0.860 177.470 176.600 0.016 0.000 0.940 53 K CA 0.435 56.744 56.287 0.037 0.000 0.811 53 K CB 1.009 33.492 32.500 -0.027 0.000 1.120 53 K HN 0.436 nan 8.250 nan 0.000 0.428 54 G N 2.860 111.716 108.800 0.094 0.000 2.641 54 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 54 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 54 G C -0.545 174.458 174.900 0.172 0.000 1.315 54 G CA 0.289 45.445 45.100 0.093 0.000 0.907 54 G HN 0.694 nan 8.290 nan 0.000 0.572 55 F N -3.461 116.407 119.950 -0.136 0.000 2.711 55 F HA 0.781 5.308 4.527 0.000 0.000 0.313 55 F C -1.028 174.510 175.800 -0.436 0.000 1.141 55 F CA -2.236 55.548 58.000 -0.359 0.000 0.941 55 F CB 0.896 39.599 39.000 -0.496 0.000 1.349 55 F HN 0.598 nan 8.300 nan 0.000 0.464 56 Y N 0.083 120.311 120.300 -0.119 0.000 2.377 56 Y HA 0.636 5.186 4.550 0.000 0.000 0.339 56 Y C 0.232 176.187 175.900 0.092 0.000 1.011 56 Y CA -0.857 57.192 58.100 -0.086 0.000 1.093 56 Y CB 2.185 40.548 38.460 -0.161 0.000 1.201 56 Y HN 0.865 nan 8.280 nan 0.000 0.455 57 T N 1.774 116.456 114.554 0.214 0.000 2.900 57 T HA 0.528 4.878 4.350 0.000 0.000 0.295 57 T C -0.965 173.696 174.700 -0.066 0.000 1.044 57 T CA -0.858 61.267 62.100 0.042 0.000 0.995 57 T CB 0.716 69.685 68.868 0.170 0.000 1.072 57 T HN 0.638 nan 8.240 nan 0.000 0.473 58 S N 2.383 117.972 115.700 -0.186 0.000 2.508 58 S HA 0.791 5.261 4.470 0.000 0.000 0.284 58 S C 0.135 174.616 174.600 -0.199 0.000 1.192 58 S CA -0.637 57.456 58.200 -0.178 0.000 1.070 58 S CB 1.000 64.079 63.200 -0.201 0.000 1.004 58 S HN 0.918 nan 8.310 nan 0.000 0.493 59 V N 0.342 120.163 119.914 -0.155 0.000 3.155 59 V HA 0.569 4.689 4.120 0.000 0.000 0.313 59 V C 1.191 177.237 176.094 -0.080 0.000 1.162 59 V CA -0.999 61.227 62.300 -0.124 0.000 1.048 59 V CB 1.193 32.957 31.823 -0.098 0.000 1.092 59 V HN 0.737 nan 8.190 nan 0.000 0.447 60 Q N 1.632 121.422 119.800 -0.016 0.000 2.135 60 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 60 Q C 1.419 177.461 176.000 0.070 0.000 0.981 60 Q CA 2.452 58.275 55.803 0.033 0.000 0.856 60 Q CB -0.512 28.304 28.738 0.129 0.000 0.902 60 Q HN 1.062 nan 8.270 nan 0.000 0.425 61 D N -2.360 118.109 120.400 0.116 0.000 2.319 61 D HA 0.126 4.766 4.640 0.000 0.000 0.230 61 D C 0.875 177.409 176.300 0.390 0.000 1.094 61 D CA 0.711 54.838 54.000 0.210 0.000 0.856 61 D CB -0.145 40.800 40.800 0.243 0.000 0.915 61 D HN 0.325 nan 8.370 nan 0.000 0.517 62 G N -0.233 108.718 108.800 0.252 0.000 2.179 62 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 62 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 62 G C 0.302 175.262 174.900 0.100 0.000 0.990 62 G CA -0.255 45.022 45.100 0.294 0.000 0.646 62 G HN 0.492 nan 8.290 nan 0.000 0.517 63 R N -0.314 120.158 120.500 -0.046 0.000 2.500 63 R HA 0.639 4.979 4.340 0.000 0.000 0.277 63 R C -0.164 175.996 176.300 -0.233 0.000 1.026 63 R CA -0.365 55.550 56.100 -0.309 0.000 1.058 63 R CB 1.499 31.608 30.300 -0.318 0.000 1.078 63 R HN 0.056 nan 8.270 nan 0.000 0.509 64 V N 5.870 125.605 119.914 -0.297 0.000 2.357 64 V HA 0.344 4.464 4.120 0.000 0.000 0.284 64 V C 0.110 176.141 176.094 -0.105 0.000 1.018 64 V CA -0.519 61.697 62.300 -0.140 0.000 0.841 64 V CB 0.934 32.721 31.823 -0.060 0.000 0.991 64 V HN 0.610 nan 8.190 nan 0.000 0.437 65 I N 1.692 122.235 120.570 -0.046 0.000 2.863 65 I HA 0.723 4.893 4.170 0.000 0.000 0.311 65 I C -0.533 175.585 176.117 0.001 0.000 1.026 65 I CA -0.910 60.385 61.300 -0.008 0.000 1.077 65 I CB 2.056 40.046 38.000 -0.017 0.000 1.262 65 I HN 0.419 nan 8.210 nan 0.000 0.461 66 K N 2.899 123.253 120.400 -0.077 0.000 2.376 66 K HA 0.301 4.621 4.320 0.000 0.000 0.257 66 K C -1.967 174.394 176.600 -0.399 0.000 0.939 66 K CA -0.669 55.352 56.287 -0.443 0.000 0.809 66 K CB 1.908 34.003 32.500 -0.675 0.000 1.121 66 K HN 0.705 nan 8.250 nan 0.000 0.425 67 Y N 2.871 122.604 120.300 -0.945 0.000 2.365 67 Y HA 0.086 4.636 4.550 0.000 0.000 0.340 67 Y C 0.762 176.182 175.900 -0.800 0.000 1.016 67 Y CA 0.358 57.698 58.100 -1.267 0.000 1.196 67 Y CB 1.211 38.501 38.460 -1.950 0.000 1.167 67 Y HN 0.765 nan 8.280 nan 0.000 0.509 68 E N 3.225 122.878 120.200 -0.911 0.000 2.452 68 E HA 0.326 4.676 4.350 0.000 0.000 0.197 68 E C 0.287 176.502 176.600 -0.642 0.000 1.022 68 E CA 0.492 56.516 56.400 -0.626 0.000 0.890 68 E CB 0.368 29.822 29.700 -0.410 0.000 0.918 68 E HN 0.963 nan 8.360 nan 0.000 0.496 69 G N -0.074 108.052 108.800 -1.124 0.000 2.359 69 G HA2 -0.100 3.860 3.960 0.000 0.000 0.314 69 G HA3 -0.100 3.860 3.960 0.000 0.000 0.314 69 G C -2.523 171.945 174.900 -0.721 0.000 1.364 69 G CA -0.838 43.803 45.100 -0.765 0.000 0.978 69 G HN -0.247 nan 8.290 nan 0.000 0.615 70 P HA -0.108 nan 4.420 nan 0.000 0.216 70 P C 1.327 178.567 177.300 -0.099 0.000 1.150 70 P CA 1.802 64.870 63.100 -0.054 0.000 0.843 70 P CB -0.047 31.663 31.700 0.018 0.000 0.787 71 N N -1.472 117.146 118.700 -0.136 0.000 2.333 71 N HA -0.012 4.728 4.740 0.000 0.000 0.178 71 N C 1.678 177.111 175.510 -0.128 0.000 1.018 71 N CA 0.775 53.765 53.050 -0.101 0.000 0.882 71 N CB -0.310 38.130 38.487 -0.078 0.000 0.984 71 N HN -0.011 nan 8.380 nan 0.000 0.434 72 S N -0.655 114.916 115.700 -0.215 0.000 2.458 72 S HA 0.226 4.696 4.470 0.000 0.000 0.223 72 S C 1.301 175.768 174.600 -0.222 0.000 1.019 72 S CA 0.426 58.502 58.200 -0.208 0.000 0.937 72 S CB -0.184 62.867 63.200 -0.249 0.000 0.788 72 S HN 0.588 nan 8.310 nan 0.000 0.511 73 G N 1.504 110.100 108.800 -0.341 0.000 2.582 73 G HA2 -0.293 3.667 3.960 0.000 0.000 0.288 73 G HA3 -0.293 3.667 3.960 0.000 0.000 0.288 73 G C -0.290 174.368 174.900 -0.403 0.000 1.247 73 G CA 0.053 44.975 45.100 -0.297 0.000 0.972 73 G HN 0.381 nan 8.290 nan 0.000 0.557 74 F N 0.540 120.466 119.950 -0.041 0.000 2.422 74 F HA 0.597 5.124 4.527 0.000 0.000 0.333 74 F C 0.959 176.713 175.800 -0.076 0.000 1.095 74 F CA 0.123 58.091 58.000 -0.052 0.000 1.038 74 F CB 2.055 41.065 39.000 0.016 0.000 1.156 74 F HN 0.607 nan 8.300 nan 0.000 0.483 75 V N -1.083 118.890 119.914 0.099 0.000 3.040 75 V HA 0.566 4.686 4.120 0.000 0.000 0.312 75 V C -0.919 175.188 176.094 0.022 0.000 1.115 75 V CA -1.170 61.154 62.300 0.040 0.000 0.998 75 V CB 1.788 33.606 31.823 -0.009 0.000 1.042 75 V HN 0.498 nan 8.190 nan 0.000 0.433 76 D N 1.052 121.436 120.400 -0.027 0.000 2.443 76 D HA 0.312 4.952 4.640 0.000 0.000 0.239 76 D C -0.185 176.066 176.300 -0.081 0.000 1.136 76 D CA 0.449 54.363 54.000 -0.142 0.000 0.879 76 D CB 1.133 41.822 40.800 -0.185 0.000 1.195 76 D HN 0.662 nan 8.370 nan 0.000 0.443 77 F N 1.193 120.937 119.950 -0.343 0.000 2.463 77 F HA 0.480 5.007 4.527 0.000 0.000 0.271 77 F C 0.053 175.606 175.800 -0.411 0.000 0.888 77 F CA 0.350 58.203 58.000 -0.244 0.000 1.149 77 F CB 0.109 39.090 39.000 -0.032 0.000 1.071 77 F HN 0.387 nan 8.300 nan 0.000 0.802 78 A N -1.046 121.470 122.820 -0.508 0.000 2.569 78 A HA 0.705 5.025 4.320 0.000 0.000 0.290 78 A C -2.242 174.764 177.584 -0.964 0.000 1.136 78 A CA -0.360 51.266 52.037 -0.684 0.000 0.710 78 A CB 0.696 19.520 19.000 -0.293 0.000 1.303 78 A HN 0.210 nan 8.150 nan 0.000 0.413 79 Y N -0.283 119.803 120.300 -0.357 0.000 2.361 79 Y HA 0.526 5.076 4.550 0.000 0.000 0.328 79 Y C 1.023 176.813 175.900 -0.183 0.000 1.044 79 Y CA -0.113 57.798 58.100 -0.314 0.000 1.085 79 Y CB 1.913 40.138 38.460 -0.391 0.000 1.194 79 Y HN 0.835 nan 8.280 nan 0.000 0.438 80 A N 1.613 124.442 122.820 0.015 0.000 1.902 80 A HA -0.112 4.208 4.320 0.000 0.000 0.217 80 A C 1.447 178.916 177.584 -0.191 0.000 1.181 80 A CA 1.426 53.462 52.037 -0.002 0.000 0.623 80 A CB -0.469 18.597 19.000 0.109 0.000 0.818 80 A HN 0.548 nan 8.150 nan 0.000 0.443 81 S N 0.263 115.816 115.700 -0.245 0.000 2.516 81 S HA 0.287 4.757 4.470 0.000 0.000 0.282 81 S C -1.642 172.721 174.600 -0.395 0.000 1.286 81 S CA -1.184 56.569 58.200 -0.745 0.000 1.066 81 S CB 0.724 63.809 63.200 -0.193 0.000 0.884 81 S HN 0.167 nan 8.310 nan 0.000 0.491 82 P HA 0.017 nan 4.420 nan 0.000 0.230 82 P C -0.337 176.327 177.300 -1.060 0.000 1.158 82 P CA 0.952 63.458 63.100 -0.989 0.000 0.769 82 P CB -0.012 30.876 31.700 -1.353 0.000 0.807 83 Y N -4.632 115.584 120.300 -0.140 0.000 2.481 83 Y HA 0.279 4.829 4.550 0.000 0.000 0.247 83 Y C 0.757 176.669 175.900 0.021 0.000 1.151 83 Y CA -1.619 56.440 58.100 -0.068 0.000 1.238 83 Y CB -0.937 37.507 38.460 -0.027 0.000 1.179 83 Y HN -0.122 nan 8.280 nan 0.000 0.524 84 W N 3.156 124.447 121.300 -0.015 0.000 2.343 84 W HA 0.053 4.713 4.660 0.000 0.000 0.337 84 W C -0.049 176.430 176.519 -0.066 0.000 1.320 84 W CA 0.747 58.083 57.345 -0.016 0.000 1.290 84 W CB 0.250 29.659 29.460 -0.086 0.000 1.206 84 W HN 0.081 nan 8.180 nan 0.000 0.565 85 N N 4.283 122.692 118.700 -0.485 0.000 2.430 85 N HA 0.103 4.843 4.740 0.000 0.000 0.290 85 N C 0.696 175.727 175.510 -0.798 0.000 1.063 85 N CA -0.599 52.223 53.050 -0.379 0.000 0.883 85 N CB 1.396 39.755 38.487 -0.212 0.000 1.465 85 N HN 0.500 nan 8.380 nan 0.000 0.493 86 K N 2.673 122.835 120.400 -0.396 0.000 2.009 86 K HA -0.155 4.165 4.320 0.000 0.000 0.210 86 K C 1.440 177.901 176.600 -0.231 0.000 1.049 86 K CA 1.856 57.983 56.287 -0.266 0.000 0.929 86 K CB -0.166 32.423 32.500 0.148 0.000 0.714 86 K HN 0.626 nan 8.250 nan 0.000 0.440 87 A N 0.339 123.087 122.820 -0.119 0.000 1.902 87 A HA -0.159 4.161 4.320 0.000 0.000 0.217 87 A C 1.990 179.554 177.584 -0.034 0.000 1.181 87 A CA 1.354 53.364 52.037 -0.046 0.000 0.623 87 A CB -0.667 18.329 19.000 -0.006 0.000 0.818 87 A HN 0.498 nan 8.150 nan 0.000 0.443 88 F N -0.540 119.257 119.950 -0.255 0.000 2.219 88 F HA -0.051 4.476 4.527 0.000 0.000 0.294 88 F C 2.297 177.926 175.800 -0.285 0.000 1.086 88 F CA 1.236 59.095 58.000 -0.235 0.000 1.330 88 F CB -0.212 38.652 39.000 -0.227 0.000 1.047 88 F HN 0.284 nan 8.300 nan 0.000 0.495 89 c N -0.521 117.822 118.600 -0.428 0.000 2.525 89 c HA 0.082 4.652 4.570 0.000 0.000 0.291 89 c C 1.008 174.939 174.090 -0.265 0.000 1.351 89 c CA -0.364 55.650 56.329 -0.525 0.000 1.771 89 c CB -0.937 40.971 42.510 -1.003 0.000 2.177 89 c HN 0.343 nan 8.230 nan 0.000 0.510 90 E N 1.810 121.882 120.200 -0.213 0.000 2.417 90 E HA -0.029 4.321 4.350 0.000 0.000 0.261 90 E C 0.034 176.683 176.600 0.082 0.000 1.000 90 E CA 0.385 56.889 56.400 0.173 0.000 0.919 90 E CB -0.238 29.619 29.700 0.261 0.000 0.955 90 E HN 0.556 nan 8.360 nan 0.000 0.455 91 N N 1.784 120.560 118.700 0.126 0.000 2.741 91 N HA -0.247 4.493 4.740 0.000 0.000 0.251 91 N C -0.765 174.745 175.510 0.000 0.000 1.112 91 N CA 0.525 53.613 53.050 0.062 0.000 0.750 91 N CB -0.853 37.662 38.487 0.046 0.000 1.119 91 N HN 0.469 nan 8.380 nan 0.000 0.561 92 S N -0.329 115.353 115.700 -0.029 0.000 2.584 92 S HA 0.349 4.819 4.470 0.000 0.000 0.273 92 S C 1.372 175.933 174.600 -0.067 0.000 1.311 92 S CA 0.384 58.525 58.200 -0.098 0.000 1.034 92 S CB 1.425 64.500 63.200 -0.208 0.000 0.939 92 S HN 0.241 nan 8.310 nan 0.000 0.513 93 T N 0.025 114.522 114.554 -0.094 0.000 3.022 93 T HA 0.256 4.606 4.350 0.000 0.000 0.250 93 T C -0.123 174.532 174.700 -0.075 0.000 1.060 93 T CA -0.190 61.856 62.100 -0.089 0.000 1.013 93 T CB -0.184 68.605 68.868 -0.132 0.000 0.982 93 T HN 0.597 nan 8.240 nan 0.000 0.508 94 D N 1.716 122.055 120.400 -0.101 0.000 2.280 94 D HA 0.500 5.140 4.640 0.000 0.000 0.243 94 D C 0.997 177.247 176.300 -0.082 0.000 1.129 94 D CA -0.107 53.837 54.000 -0.094 0.000 0.848 94 D CB 1.866 42.599 40.800 -0.111 0.000 1.107 94 D HN 0.255 nan 8.370 nan 0.000 0.471 95 A N 3.480 126.273 122.820 -0.046 0.000 2.067 95 A HA -0.179 4.141 4.320 0.000 0.000 0.219 95 A C 1.829 179.377 177.584 -0.059 0.000 1.158 95 A CA 0.911 52.931 52.037 -0.029 0.000 0.661 95 A CB -0.171 18.830 19.000 0.002 0.000 0.801 95 A HN 0.572 nan 8.150 nan 0.000 0.452 96 E N 1.076 121.240 120.200 -0.060 0.000 2.409 96 E HA -0.151 4.199 4.350 0.000 0.000 0.198 96 E C 1.115 177.677 176.600 -0.062 0.000 1.024 96 E CA 1.105 57.471 56.400 -0.057 0.000 0.861 96 E CB -0.382 29.300 29.700 -0.030 0.000 0.788 96 E HN 0.652 nan 8.360 nan 0.000 0.521 97 K N 0.536 120.878 120.400 -0.095 0.000 2.400 97 K HA 0.158 4.478 4.320 0.000 0.000 0.194 97 K C 2.152 178.710 176.600 -0.070 0.000 1.033 97 K CA -0.054 56.184 56.287 -0.082 0.000 1.021 97 K CB 0.207 32.519 32.500 -0.313 0.000 0.808 97 K HN 0.045 nan 8.250 nan 0.000 0.505 98 R N 0.895 121.307 120.500 -0.147 0.000 2.096 98 R HA -0.088 4.252 4.340 0.000 0.000 0.235 98 R C -0.874 175.103 176.300 -0.540 0.000 1.127 98 R CA 1.200 57.165 56.100 -0.225 0.000 0.968 98 R CB -1.107 29.081 30.300 -0.187 0.000 0.861 98 R HN 0.084 nan 8.270 nan 0.000 0.440 99 P HA -0.170 nan 4.420 nan 0.000 0.218 99 P C 1.141 178.341 177.300 -0.167 0.000 1.148 99 P CA 1.149 63.818 63.100 -0.719 0.000 0.822 99 P CB 0.104 31.556 31.700 -0.414 0.000 0.784 100 L N -1.569 119.660 121.223 0.010 0.000 2.168 100 L HA -0.038 4.302 4.340 0.000 0.000 0.203 100 L C 2.078 179.153 176.870 0.342 0.000 1.078 100 L CA 1.460 56.425 54.840 0.210 0.000 0.780 100 L CB -0.671 41.468 42.059 0.134 0.000 0.939 100 L HN -0.054 nan 8.230 nan 0.000 0.451 101 c N 0.382 119.128 118.600 0.242 0.000 2.446 101 c HA 0.418 4.988 4.570 0.000 0.000 0.279 101 c C 1.363 175.726 174.090 0.454 0.000 1.366 101 c CA 0.219 56.725 56.329 0.294 0.000 1.763 101 c CB -1.827 40.776 42.510 0.156 0.000 1.929 101 c HN 0.774 nan 8.230 nan 0.000 0.509 102 G N 0.149 109.207 108.800 0.429 0.000 2.795 102 G HA2 0.007 3.967 3.960 0.000 0.000 0.664 102 G HA3 0.007 3.967 3.960 0.000 0.000 0.664 102 G C -0.744 174.372 174.900 0.360 0.000 1.381 102 G CA -0.502 44.904 45.100 0.511 0.000 0.853 102 G HN 0.402 nan 8.290 nan 0.000 0.545 103 R N 0.166 120.882 120.500 0.361 0.000 2.605 103 R HA 0.519 4.859 4.340 0.000 0.000 0.291 103 R C -0.374 175.964 176.300 0.063 0.000 1.226 103 R CA -0.298 55.897 56.100 0.159 0.000 0.981 103 R CB 0.815 31.228 30.300 0.189 0.000 1.215 103 R HN 0.769 nan 8.270 nan 0.000 0.428 104 T N 4.580 119.102 114.554 -0.054 0.000 2.794 104 T HA 0.244 4.594 4.350 0.000 0.000 0.296 104 T C 0.657 175.210 174.700 -0.245 0.000 0.949 104 T CA 0.207 62.276 62.100 -0.051 0.000 1.101 104 T CB 0.494 69.334 68.868 -0.047 0.000 0.905 104 T HN 0.403 nan 8.240 nan 0.000 0.516 105 Y N 0.908 121.165 120.300 -0.070 0.000 2.462 105 Y HA 0.297 4.847 4.550 0.000 0.000 0.253 105 Y C 0.972 176.737 175.900 -0.226 0.000 1.095 105 Y CA -0.345 57.626 58.100 -0.216 0.000 1.283 105 Y CB 0.855 39.084 38.460 -0.384 0.000 1.138 105 Y HN 0.507 nan 8.280 nan 0.000 0.522 106 D N -0.422 119.972 120.400 -0.010 0.000 2.609 106 D HA 0.462 5.102 4.640 0.000 0.000 0.239 106 D C -1.448 174.843 176.300 -0.014 0.000 1.229 106 D CA -0.497 53.489 54.000 -0.023 0.000 0.808 106 D CB 1.961 42.776 40.800 0.024 0.000 1.448 106 D HN 0.037 nan 8.370 nan 0.000 0.433 107 I N -1.428 119.133 120.570 -0.015 0.000 2.827 107 I HA 0.748 4.918 4.170 0.000 0.000 0.298 107 I C -1.305 174.825 176.117 0.020 0.000 1.235 107 I CA -0.679 60.611 61.300 -0.017 0.000 1.021 107 I CB 2.258 40.224 38.000 -0.056 0.000 1.259 107 I HN 0.227 nan 8.210 nan 0.000 0.427 108 S N 3.676 119.400 115.700 0.039 0.000 2.689 108 S HA 0.465 4.935 4.470 0.000 0.000 0.274 108 S C -1.481 173.184 174.600 0.109 0.000 1.176 108 S CA -0.347 57.911 58.200 0.098 0.000 1.014 108 S CB 0.827 64.099 63.200 0.120 0.000 1.071 108 S HN 0.580 nan 8.310 nan 0.000 0.478 109 Y N 4.364 124.673 120.300 0.014 0.000 2.465 109 Y HA 0.211 4.761 4.550 0.000 0.000 0.331 109 Y C 1.128 177.092 175.900 0.107 0.000 1.102 109 Y CA 0.495 58.602 58.100 0.012 0.000 1.358 109 Y CB 0.575 38.997 38.460 -0.063 0.000 1.213 109 Y HN 0.658 nan 8.280 nan 0.000 0.525 110 N N 5.639 124.500 118.700 0.269 0.000 2.399 110 N HA 0.012 4.752 4.740 0.000 0.000 0.259 110 N C 0.509 176.191 175.510 0.287 0.000 1.160 110 N CA 0.262 53.471 53.050 0.265 0.000 0.946 110 N CB 0.565 39.234 38.487 0.304 0.000 1.156 110 N HN 0.862 nan 8.380 nan 0.000 0.489 111 L N 2.618 123.980 121.223 0.232 0.000 2.201 111 L HA -0.128 4.212 4.340 0.000 0.000 0.212 111 L C 2.434 179.389 176.870 0.141 0.000 1.105 111 L CA 0.828 55.779 54.840 0.184 0.000 0.775 111 L CB -0.172 41.962 42.059 0.125 0.000 0.913 111 L HN 0.640 nan 8.230 nan 0.000 0.440 112 Q N 1.042 120.919 119.800 0.128 0.000 2.123 112 Q HA -0.137 4.203 4.340 0.000 0.000 0.199 112 Q C 1.033 177.092 176.000 0.099 0.000 0.966 112 Q CA 1.491 57.353 55.803 0.097 0.000 0.845 112 Q CB 0.208 28.996 28.738 0.083 0.000 0.907 112 Q HN 0.707 nan 8.270 nan 0.000 0.439 113 N N -1.279 117.493 118.700 0.119 0.000 2.235 113 N HA 0.056 4.796 4.740 0.000 0.000 0.231 113 N C -0.918 174.662 175.510 0.117 0.000 1.177 113 N CA 0.173 53.284 53.050 0.102 0.000 0.874 113 N CB 0.189 38.726 38.487 0.083 0.000 1.097 113 N HN 0.098 nan 8.380 nan 0.000 0.518 114 N N 1.463 120.280 118.700 0.194 0.000 2.708 114 N HA -0.200 4.540 4.740 0.000 0.000 0.251 114 N C -1.068 174.506 175.510 0.108 0.000 1.017 114 N CA 0.822 54.072 53.050 0.332 0.000 0.742 114 N CB -0.827 37.841 38.487 0.301 0.000 0.943 114 N HN 0.541 nan 8.380 nan 0.000 0.539 115 Q N 0.247 120.001 119.800 -0.076 0.000 2.271 115 Q HA 0.386 4.726 4.340 0.000 0.000 0.258 115 Q C -0.155 175.458 176.000 -0.645 0.000 0.936 115 Q CA -0.551 55.053 55.803 -0.332 0.000 0.909 115 Q CB 2.272 30.836 28.738 -0.289 0.000 1.253 115 Q HN 0.410 nan 8.270 nan 0.000 0.440 116 L N 3.790 124.533 121.223 -0.800 0.000 2.257 116 L HA 0.353 4.693 4.340 0.000 0.000 0.290 116 L C -1.202 175.355 176.870 -0.522 0.000 1.044 116 L CA -0.628 53.735 54.840 -0.794 0.000 0.810 116 L CB 0.380 41.954 42.059 -0.809 0.000 1.193 116 L HN 0.544 nan 8.230 nan 0.000 0.425 117 Y N 5.189 125.337 120.300 -0.253 0.000 2.310 117 Y HA 0.477 5.027 4.550 0.000 0.000 0.326 117 Y C 0.092 175.904 175.900 -0.147 0.000 1.151 117 Y CA -0.070 57.928 58.100 -0.170 0.000 1.195 117 Y CB 1.303 39.690 38.460 -0.122 0.000 1.210 117 Y HN 0.420 nan 8.280 nan 0.000 0.483 118 I N 3.198 123.771 120.570 0.004 0.000 2.582 118 I HA 0.469 4.639 4.170 0.000 0.000 0.292 118 I C -1.259 174.850 176.117 -0.013 0.000 1.066 118 I CA -1.088 60.200 61.300 -0.019 0.000 1.053 118 I CB 2.096 40.070 38.000 -0.043 0.000 1.241 118 I HN 0.329 nan 8.210 nan 0.000 0.421 119 V N 1.657 121.578 119.914 0.012 0.000 2.487 119 V HA 0.682 4.802 4.120 0.000 0.000 0.298 119 V C -1.080 175.084 176.094 0.117 0.000 1.028 119 V CA -0.370 61.953 62.300 0.038 0.000 0.860 119 V CB 1.659 33.505 31.823 0.037 0.000 0.991 119 V HN 0.743 nan 8.190 nan 0.000 0.427 120 D N 2.860 123.350 120.400 0.150 0.000 2.738 120 D HA 0.270 4.910 4.640 0.000 0.000 0.237 120 D C 0.646 177.040 176.300 0.157 0.000 1.123 120 D CA -0.307 53.813 54.000 0.199 0.000 0.856 120 D CB 2.806 43.726 40.800 0.200 0.000 1.552 120 D HN 0.673 nan 8.370 nan 0.000 0.480 121 C N 3.186 122.580 119.300 0.157 0.000 2.429 121 C HA -0.133 4.327 4.460 0.000 0.000 0.277 121 C C 1.902 176.509 174.990 -0.638 0.000 1.262 121 C CA 0.863 59.746 59.018 -0.225 0.000 1.733 121 C CB -1.166 26.257 27.740 -0.528 0.000 2.010 121 C HN 0.694 nan 8.230 nan 0.000 0.483 122 Y N -2.417 117.776 120.300 -0.177 0.000 2.503 122 Y HA 0.205 4.755 4.550 0.000 0.000 0.277 122 Y C 1.706 177.032 175.900 -0.957 0.000 1.102 122 Y CA 0.790 58.591 58.100 -0.498 0.000 1.261 122 Y CB -0.274 37.929 38.460 -0.427 0.000 1.096 122 Y HN 0.326 nan 8.280 nan 0.000 0.546 123 Y N -1.117 119.052 120.300 -0.220 0.000 2.481 123 Y HA 0.192 4.742 4.550 0.000 0.000 0.247 123 Y C 0.479 176.305 175.900 -0.124 0.000 1.151 123 Y CA -0.589 57.405 58.100 -0.177 0.000 1.238 123 Y CB -0.244 38.238 38.460 0.037 0.000 1.179 123 Y HN 0.049 nan 8.280 nan 0.000 0.524 124 H N -1.364 117.835 119.070 0.215 0.000 1.452 124 H HA -0.273 4.283 4.556 0.000 0.000 0.090 124 H C -0.319 175.069 175.328 0.101 0.000 2.870 124 H CA 0.568 56.740 56.048 0.208 0.000 1.901 124 H CB -1.176 28.792 29.762 0.343 0.000 2.257 124 H HN 0.157 nan 8.280 nan 0.000 0.961 125 L N 2.333 123.666 121.223 0.183 0.000 2.281 125 L HA 0.431 4.771 4.340 0.000 0.000 0.285 125 L C 0.470 177.301 176.870 -0.065 0.000 1.074 125 L CA 0.785 55.562 54.840 -0.105 0.000 0.817 125 L CB 0.443 42.233 42.059 -0.447 0.000 1.168 125 L HN 0.717 nan 8.230 nan 0.000 0.434 126 S N 3.942 119.603 115.700 -0.066 0.000 2.661 126 S HA 0.850 5.320 4.470 0.000 0.000 0.285 126 S C -1.013 173.502 174.600 -0.142 0.000 1.138 126 S CA -0.772 57.379 58.200 -0.080 0.000 0.855 126 S CB 1.752 64.930 63.200 -0.037 0.000 1.136 126 S HN 0.622 nan 8.310 nan 0.000 0.484 127 V N 0.417 120.201 119.914 -0.217 0.000 2.876 127 V HA 0.895 5.015 4.120 0.000 0.000 0.312 127 V C -1.233 174.678 176.094 -0.305 0.000 1.085 127 V CA -0.526 61.530 62.300 -0.405 0.000 0.945 127 V CB 1.899 33.322 31.823 -0.666 0.000 1.017 127 V HN 1.114 nan 8.190 nan 0.000 0.428 128 V N 4.984 124.695 119.914 -0.339 0.000 2.789 128 V HA 0.924 5.044 4.120 0.000 0.000 0.311 128 V C 0.435 176.380 176.094 -0.247 0.000 1.073 128 V CA 0.407 62.555 62.300 -0.253 0.000 0.921 128 V CB 1.983 33.668 31.823 -0.230 0.000 1.009 128 V HN 1.160 nan 8.190 nan 0.000 0.426 129 G N 2.577 111.271 108.800 -0.175 0.000 2.621 129 G HA2 0.330 4.290 3.960 0.000 0.000 0.271 129 G HA3 0.330 4.290 3.960 0.000 0.000 0.271 129 G C 1.083 175.975 174.900 -0.015 0.000 1.236 129 G CA 0.243 45.280 45.100 -0.104 0.000 0.958 129 G HN 1.477 nan 8.290 nan 0.000 0.512 130 S N -0.750 115.005 115.700 0.091 0.000 2.547 130 S HA -0.102 4.368 4.470 0.000 0.000 0.235 130 S C 1.649 176.414 174.600 0.274 0.000 0.980 130 S CA 1.400 59.772 58.200 0.286 0.000 0.941 130 S CB -0.048 63.304 63.200 0.254 0.000 0.763 130 S HN 0.733 nan 8.310 nan 0.000 0.532 131 E N 2.207 122.432 120.200 0.042 0.000 2.435 131 E HA 0.205 4.555 4.350 0.000 0.000 0.195 131 E C 1.241 177.605 176.600 -0.393 0.000 1.029 131 E CA 0.723 57.079 56.400 -0.073 0.000 0.865 131 E CB -1.213 28.448 29.700 -0.065 0.000 0.833 131 E HN 0.602 nan 8.360 nan 0.000 0.510 132 G N 0.613 108.984 108.800 -0.715 0.000 2.601 132 G HA2 0.016 3.976 3.960 0.000 0.000 0.252 132 G HA3 0.016 3.976 3.960 0.000 0.000 0.252 132 G C 0.611 175.156 174.900 -0.590 0.000 1.294 132 G CA 0.845 45.209 45.100 -1.226 0.000 0.912 132 G HN 1.287 nan 8.290 nan 0.000 0.574 133 G N -2.480 106.002 108.800 -0.531 0.000 2.500 133 G HA2 0.216 4.176 3.960 0.000 0.000 0.209 133 G HA3 0.216 4.176 3.960 0.000 0.000 0.209 133 G C -0.171 174.583 174.900 -0.244 0.000 1.283 133 G CA 0.412 45.343 45.100 -0.282 0.000 0.960 133 G HN 1.753 nan 8.290 nan 0.000 0.528 134 H N 0.870 119.935 119.070 -0.010 0.000 2.803 134 H HA 0.501 5.057 4.556 0.000 0.000 0.330 134 H C 1.157 176.413 175.328 -0.119 0.000 1.057 134 H CA 0.552 56.571 56.048 -0.048 0.000 1.458 134 H CB 0.901 30.582 29.762 -0.135 0.000 1.470 134 H HN 0.968 nan 8.280 nan 0.000 0.560 135 A N 3.160 125.957 122.820 -0.039 0.000 2.310 135 A HA 0.253 4.573 4.320 0.000 0.000 0.260 135 A C 0.288 177.827 177.584 -0.074 0.000 1.112 135 A CA -0.343 51.640 52.037 -0.090 0.000 0.804 135 A CB 0.271 19.208 19.000 -0.104 0.000 1.081 135 A HN 0.690 nan 8.150 nan 0.000 0.499 136 T N 1.604 116.104 114.554 -0.090 0.000 2.756 136 T HA 0.343 4.693 4.350 0.000 0.000 0.290 136 T C -0.020 174.647 174.700 -0.056 0.000 0.985 136 T CA -0.141 61.919 62.100 -0.068 0.000 0.955 136 T CB 0.776 69.601 68.868 -0.073 0.000 0.930 136 T HN 0.655 nan 8.240 nan 0.000 0.451 137 Q N 3.388 123.179 119.800 -0.014 0.000 2.311 137 Q HA 0.221 4.561 4.340 0.000 0.000 0.272 137 Q C 0.199 176.188 176.000 -0.019 0.000 1.012 137 Q CA 0.060 55.875 55.803 0.020 0.000 0.891 137 Q CB 0.423 29.217 28.738 0.094 0.000 1.201 137 Q HN 0.712 nan 8.270 nan 0.000 0.391 138 L N 2.407 123.586 121.223 -0.074 0.000 2.577 138 L HA 0.488 4.828 4.340 0.000 0.000 0.225 138 L C 0.152 176.940 176.870 -0.137 0.000 1.053 138 L CA 0.195 54.927 54.840 -0.179 0.000 0.866 138 L CB 0.681 42.470 42.059 -0.451 0.000 1.132 138 L HN 0.667 nan 8.230 nan 0.000 0.486 139 A N -0.765 122.025 122.820 -0.049 0.000 2.604 139 A HA 0.552 4.872 4.320 0.000 0.000 0.295 139 A C 0.018 177.680 177.584 0.131 0.000 1.067 139 A CA 0.277 52.351 52.037 0.061 0.000 0.683 139 A CB 1.039 20.146 19.000 0.178 0.000 1.281 139 A HN 0.091 nan 8.150 nan 0.000 0.407 140 T N -2.590 111.861 114.554 -0.172 0.000 3.080 140 T HA 0.502 4.852 4.350 0.000 0.000 0.280 140 T C 0.434 174.358 174.700 -1.294 0.000 0.926 140 T CA 0.809 62.610 62.100 -0.498 0.000 0.883 140 T CB -0.642 68.091 68.868 -0.225 0.000 1.194 140 T HN 2.121 nan 8.240 nan 0.000 0.541 141 S N -0.264 114.638 115.700 -1.330 0.000 2.615 141 S HA 0.800 5.270 4.470 0.000 0.000 0.269 141 S C -1.823 172.399 174.600 -0.629 0.000 1.161 141 S CA -0.559 56.907 58.200 -1.223 0.000 0.817 141 S CB 2.005 64.888 63.200 -0.528 0.000 1.131 141 S HN 0.700 nan 8.310 nan 0.000 0.467 142 V N 0.680 120.450 119.914 -0.240 0.000 3.012 142 V HA 0.590 4.710 4.120 0.000 0.000 0.307 142 V C -1.276 174.814 176.094 -0.005 0.000 1.166 142 V CA -0.157 62.148 62.300 0.009 0.000 0.974 142 V CB 1.677 33.607 31.823 0.178 0.000 1.040 142 V HN 1.167 nan 8.190 nan 0.000 0.428 143 D N 3.926 124.326 120.400 0.001 0.000 2.945 143 D HA -0.137 4.503 4.640 0.000 0.000 0.225 143 D C 1.063 177.349 176.300 -0.023 0.000 1.158 143 D CA 2.392 56.389 54.000 -0.003 0.000 0.805 143 D CB -1.238 39.566 40.800 0.006 0.000 1.098 143 D HN 1.826 nan 8.370 nan 0.000 0.426 144 G N -2.111 106.662 108.800 -0.045 0.000 2.162 144 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 144 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 144 G C 0.269 175.127 174.900 -0.071 0.000 0.976 144 G CA 0.246 45.312 45.100 -0.057 0.000 0.655 144 G HN 0.807 nan 8.290 nan 0.000 0.533 145 V N 1.675 121.542 119.914 -0.078 0.000 2.334 145 V HA 0.435 4.555 4.120 0.000 0.000 0.281 145 V C -1.694 174.323 176.094 -0.130 0.000 1.016 145 V CA -1.796 60.461 62.300 -0.070 0.000 0.832 145 V CB 1.678 33.486 31.823 -0.024 0.000 0.999 145 V HN 0.076 nan 8.190 nan 0.000 0.439 146 P HA 0.084 nan 4.420 nan 0.000 0.266 146 P C -0.435 176.803 177.300 -0.104 0.000 1.193 146 P CA -0.017 62.924 63.100 -0.264 0.000 0.770 146 P CB 0.266 31.869 31.700 -0.161 0.000 0.836 147 F N 1.968 121.817 119.950 -0.167 0.000 2.459 147 F HA 0.183 4.710 4.527 0.000 0.000 0.346 147 F C 1.671 177.469 175.800 -0.003 0.000 1.128 147 F CA 0.079 58.029 58.000 -0.085 0.000 1.268 147 F CB 0.124 39.052 39.000 -0.121 0.000 1.161 147 F HN 0.257 nan 8.300 nan 0.000 0.583 148 K N 1.158 121.725 120.400 0.279 0.000 2.344 148 K HA 0.026 4.346 4.320 0.000 0.000 0.200 148 K C -0.387 176.339 176.600 0.210 0.000 1.132 148 K CA 0.688 57.093 56.287 0.197 0.000 0.935 148 K CB 0.395 32.967 32.500 0.120 0.000 1.089 148 K HN 0.651 nan 8.250 nan 0.000 0.496 149 W N 2.607 123.920 121.300 0.023 0.000 2.162 149 W HA 0.363 5.023 4.660 0.000 0.000 0.292 149 W C -1.336 175.178 176.519 -0.008 0.000 0.998 149 W CA -1.459 55.859 57.345 -0.046 0.000 1.570 149 W CB -0.383 29.034 29.460 -0.071 0.000 1.644 149 W HN -0.172 nan 8.180 nan 0.000 0.360 150 L N 4.284 125.706 121.223 0.332 0.000 2.513 150 L HA -0.064 4.276 4.340 0.000 0.000 0.272 150 L C 0.552 177.553 176.870 0.219 0.000 1.187 150 L CA 0.717 55.670 54.840 0.188 0.000 0.895 150 L CB 0.600 42.741 42.059 0.137 0.000 1.147 150 L HN 0.406 nan 8.230 nan 0.000 0.483 151 Y N 2.561 122.836 120.300 -0.042 0.000 2.736 151 Y HA 0.401 4.951 4.550 0.000 0.000 0.272 151 Y C 0.668 176.569 175.900 0.001 0.000 1.118 151 Y CA 0.209 58.229 58.100 -0.134 0.000 1.248 151 Y CB 0.867 39.069 38.460 -0.429 0.000 1.437 151 Y HN 0.568 nan 8.280 nan 0.000 0.481 152 A N 0.342 123.277 122.820 0.193 0.000 2.401 152 A HA 0.716 5.036 4.320 0.000 0.000 0.310 152 A C -1.866 175.825 177.584 0.178 0.000 1.075 152 A CA -0.514 51.620 52.037 0.162 0.000 0.746 152 A CB 1.681 20.780 19.000 0.165 0.000 1.277 152 A HN 0.040 nan 8.150 nan 0.000 0.425 153 V N 0.505 120.511 119.914 0.153 0.000 3.049 153 V HA 0.891 5.011 4.120 0.000 0.000 0.309 153 V C -0.708 175.477 176.094 0.152 0.000 1.148 153 V CA 0.281 62.684 62.300 0.172 0.000 0.990 153 V CB 2.478 34.359 31.823 0.096 0.000 1.039 153 V HN 1.389 nan 8.190 nan 0.000 0.430 154 T N 3.576 118.232 114.554 0.170 0.000 2.932 154 T HA 0.596 4.946 4.350 0.000 0.000 0.318 154 T C -1.672 173.101 174.700 0.122 0.000 1.265 154 T CA -0.281 61.911 62.100 0.154 0.000 1.036 154 T CB 1.551 70.525 68.868 0.177 0.000 1.209 154 T HN 0.622 nan 8.240 nan 0.000 0.484 155 V N 4.225 124.187 119.914 0.081 0.000 2.407 155 V HA 0.382 4.502 4.120 0.000 0.000 0.278 155 V C 0.156 176.311 176.094 0.102 0.000 1.037 155 V CA -0.733 61.578 62.300 0.019 0.000 0.900 155 V CB 1.476 33.319 31.823 0.033 0.000 0.983 155 V HN 0.869 nan 8.190 nan 0.000 0.459 156 D N 4.312 124.787 120.400 0.125 0.000 2.352 156 D HA 0.097 4.737 4.640 0.000 0.000 0.245 156 D C 1.214 177.565 176.300 0.086 0.000 1.224 156 D CA -0.110 53.976 54.000 0.143 0.000 0.879 156 D CB 1.297 42.244 40.800 0.245 0.000 1.057 156 D HN 0.441 nan 8.370 nan 0.000 0.491 157 Q N 3.226 123.073 119.800 0.078 0.000 2.133 157 Q HA -0.239 4.101 4.340 0.000 0.000 0.208 157 Q C 1.804 177.838 176.000 0.057 0.000 0.991 157 Q CA 1.279 57.124 55.803 0.070 0.000 0.867 157 Q CB -0.207 28.569 28.738 0.063 0.000 0.911 157 Q HN 0.616 nan 8.270 nan 0.000 0.417 158 R N 0.163 120.692 120.500 0.048 0.000 2.073 158 R HA -0.097 4.243 4.340 0.000 0.000 0.229 158 R C 2.006 178.332 176.300 0.044 0.000 1.120 158 R CA 1.902 58.026 56.100 0.040 0.000 0.967 158 R CB -0.023 30.296 30.300 0.031 0.000 0.862 158 R HN 0.409 nan 8.270 nan 0.000 0.436 159 T N -4.412 110.174 114.554 0.053 0.000 3.023 159 T HA 0.260 4.610 4.350 0.000 0.000 0.249 159 T C 1.456 176.169 174.700 0.022 0.000 1.050 159 T CA 0.578 62.704 62.100 0.043 0.000 1.088 159 T CB 0.660 69.566 68.868 0.063 0.000 0.946 159 T HN 0.438 nan 8.240 nan 0.000 0.480 160 G N 1.752 110.566 108.800 0.023 0.000 2.225 160 G HA2 -0.223 3.737 3.960 0.000 0.000 0.254 160 G HA3 -0.223 3.737 3.960 0.000 0.000 0.254 160 G C 0.137 174.987 174.900 -0.083 0.000 0.988 160 G CA 0.057 45.158 45.100 0.001 0.000 0.625 160 G HN 0.675 nan 8.290 nan 0.000 0.527 161 I N 1.211 121.719 120.570 -0.103 0.000 2.752 161 I HA 0.285 4.455 4.170 0.000 0.000 0.287 161 I C 0.655 176.550 176.117 -0.370 0.000 1.188 161 I CA -0.023 61.116 61.300 -0.268 0.000 1.427 161 I CB 1.024 38.853 38.000 -0.284 0.000 1.365 161 I HN -0.062 nan 8.210 nan 0.000 0.585 162 V N 6.943 126.589 119.914 -0.448 0.000 2.409 162 V HA 0.347 4.467 4.120 0.000 0.000 0.291 162 V C -0.734 175.218 176.094 -0.236 0.000 1.020 162 V CA -0.719 61.396 62.300 -0.309 0.000 0.848 162 V CB 1.018 32.615 31.823 -0.377 0.000 0.990 162 V HN 0.386 nan 8.190 nan 0.000 0.430 163 Y N 5.425 125.830 120.300 0.174 0.000 2.387 163 Y HA 0.832 5.382 4.550 0.000 0.000 0.336 163 Y C -0.053 176.024 175.900 0.295 0.000 1.067 163 Y CA -0.858 57.356 58.100 0.190 0.000 1.114 163 Y CB 1.726 40.224 38.460 0.063 0.000 1.208 163 Y HN 0.714 nan 8.280 nan 0.000 0.458 164 F N -1.691 118.318 119.950 0.099 0.000 2.779 164 F HA 0.793 5.320 4.527 0.000 0.000 0.316 164 F C -1.143 174.635 175.800 -0.037 0.000 1.164 164 F CA -1.100 56.910 58.000 0.017 0.000 0.924 164 F CB 1.838 40.818 39.000 -0.034 0.000 1.348 164 F HN 0.302 nan 8.300 nan 0.000 0.467 165 T N 0.404 114.980 114.554 0.036 0.000 2.893 165 T HA 0.403 4.753 4.350 0.000 0.000 0.293 165 T C -2.240 172.415 174.700 -0.075 0.000 1.027 165 T CA -0.360 61.684 62.100 -0.093 0.000 0.988 165 T CB 1.481 70.332 68.868 -0.029 0.000 1.043 165 T HN 0.831 nan 8.240 nan 0.000 0.461 166 D N 2.318 122.628 120.400 -0.150 0.000 2.391 166 D HA 0.308 4.948 4.640 0.000 0.000 0.245 166 D C 1.295 177.533 176.300 -0.104 0.000 1.069 166 D CA -0.669 53.271 54.000 -0.100 0.000 0.831 166 D CB 1.780 42.505 40.800 -0.124 0.000 1.204 166 D HN 0.305 nan 8.370 nan 0.000 0.503 167 V N 1.685 121.513 119.914 -0.143 0.000 3.129 167 V HA 0.245 4.365 4.120 0.000 0.000 0.259 167 V C 0.531 176.577 176.094 -0.080 0.000 1.116 167 V CA 0.939 63.096 62.300 -0.238 0.000 1.127 167 V CB -0.222 31.234 31.823 -0.610 0.000 0.742 167 V HN 0.380 nan 8.190 nan 0.000 0.474 168 S N -0.756 114.963 115.700 0.032 0.000 2.535 168 S HA 0.466 4.936 4.470 0.000 0.000 0.272 168 S C 0.556 175.180 174.600 0.041 0.000 1.149 168 S CA 0.200 58.432 58.200 0.054 0.000 0.888 168 S CB 1.868 65.155 63.200 0.145 0.000 1.110 168 S HN 0.696 nan 8.310 nan 0.000 0.463 169 T N 2.077 116.619 114.554 -0.019 0.000 3.100 169 T HA 0.290 4.640 4.350 0.000 0.000 0.253 169 T C 1.350 175.983 174.700 -0.111 0.000 1.118 169 T CA 0.293 62.379 62.100 -0.024 0.000 1.058 169 T CB -0.238 68.614 68.868 -0.026 0.000 0.953 169 T HN 0.476 nan 8.240 nan 0.000 0.515 170 L N -1.558 119.506 121.223 -0.265 0.000 2.433 170 L HA 0.426 4.766 4.340 0.000 0.000 0.200 170 L C -0.152 176.413 176.870 -0.510 0.000 1.059 170 L CA -0.098 54.394 54.840 -0.581 0.000 0.835 170 L CB 0.404 41.746 42.059 -1.195 0.000 1.076 170 L HN 0.187 nan 8.230 nan 0.000 0.481 171 Y N 0.262 120.620 120.300 0.096 0.000 2.468 171 Y HA 0.405 4.955 4.550 0.000 0.000 0.342 171 Y C -0.260 175.705 175.900 0.108 0.000 1.021 171 Y CA -2.203 55.954 58.100 0.094 0.000 1.079 171 Y CB 0.922 39.447 38.460 0.109 0.000 1.226 171 Y HN 0.045 nan 8.280 nan 0.000 0.460 172 D N -1.003 119.468 120.400 0.117 0.000 2.589 172 D HA 0.195 4.835 4.640 0.000 0.000 0.268 172 D C 0.317 176.181 176.300 -0.726 0.000 1.182 172 D CA -0.462 53.379 54.000 -0.266 0.000 1.087 172 D CB 0.195 40.819 40.800 -0.294 0.000 1.186 172 D HN 0.401 nan 8.370 nan 0.000 0.620 173 D N -1.216 118.431 120.400 -1.255 0.000 2.263 173 D HA -0.204 4.436 4.640 0.000 0.000 0.193 173 D C 1.564 177.629 176.300 -0.392 0.000 1.013 173 D CA 1.618 54.988 54.000 -1.050 0.000 0.892 173 D CB 0.072 40.686 40.800 -0.311 0.000 0.909 173 D HN 0.316 nan 8.370 nan 0.000 0.449 174 R N -1.276 119.114 120.500 -0.184 0.000 2.334 174 R HA 0.273 4.613 4.340 0.000 0.000 0.216 174 R C 1.269 177.558 176.300 -0.019 0.000 0.905 174 R CA 0.519 56.594 56.100 -0.042 0.000 1.064 174 R CB 0.763 31.065 30.300 0.004 0.000 1.046 174 R HN 0.031 nan 8.270 nan 0.000 0.508 175 G N 0.506 109.292 108.800 -0.022 0.000 4.044 175 G HA2 0.162 4.122 3.960 0.000 0.000 0.297 175 G HA3 0.162 4.122 3.960 0.000 0.000 0.297 175 G C 0.917 175.822 174.900 0.007 0.000 1.101 175 G CA -0.312 44.775 45.100 -0.021 0.000 0.884 175 G HN -0.046 nan 8.290 nan 0.000 0.538 176 V N 0.252 120.219 119.914 0.089 0.000 2.392 176 V HA -0.262 3.858 4.120 0.000 0.000 0.249 176 V C 2.926 179.029 176.094 0.016 0.000 1.059 176 V CA 2.338 64.713 62.300 0.125 0.000 1.051 176 V CB -0.139 31.778 31.823 0.157 0.000 0.658 176 V HN 0.501 nan 8.190 nan 0.000 0.455 177 Q N 0.294 120.089 119.800 -0.009 0.000 2.077 177 Q HA -0.274 4.066 4.340 0.000 0.000 0.206 177 Q C 2.176 178.126 176.000 -0.084 0.000 0.989 177 Q CA 2.191 57.979 55.803 -0.026 0.000 0.853 177 Q CB -0.367 28.364 28.738 -0.012 0.000 0.907 177 Q HN 0.683 nan 8.270 nan 0.000 0.418 178 Q N -0.357 119.323 119.800 -0.200 0.000 2.119 178 Q HA -0.003 4.337 4.340 0.000 0.000 0.201 178 Q C 2.084 177.895 176.000 -0.315 0.000 0.972 178 Q CA 1.328 56.906 55.803 -0.375 0.000 0.847 178 Q CB -0.172 28.094 28.738 -0.787 0.000 0.903 178 Q HN 0.439 nan 8.270 nan 0.000 0.433 179 I N -0.324 120.128 120.570 -0.197 0.000 2.127 179 I HA -0.321 3.849 4.170 0.000 0.000 0.241 179 I C 1.895 178.030 176.117 0.030 0.000 1.075 179 I CA 0.986 62.304 61.300 0.030 0.000 1.334 179 I CB -0.189 37.871 38.000 0.099 0.000 1.040 179 I HN 0.330 nan 8.210 nan 0.000 0.405 180 M N -0.150 119.451 119.600 0.001 0.000 2.059 180 M HA -0.216 4.264 4.480 0.000 0.000 0.259 180 M C 2.008 178.327 176.300 0.033 0.000 1.072 180 M CA 1.813 57.127 55.300 0.022 0.000 1.117 180 M CB -1.447 31.164 32.600 0.019 0.000 1.320 180 M HN 0.214 nan 8.290 nan 0.000 0.408 181 D N 0.351 120.758 120.400 0.011 0.000 2.123 181 D HA -0.129 4.511 4.640 0.000 0.000 0.196 181 D C 1.895 178.217 176.300 0.036 0.000 0.992 181 D CA 2.213 56.225 54.000 0.020 0.000 0.833 181 D CB -0.332 40.468 40.800 0.000 0.000 0.954 181 D HN 0.499 nan 8.370 nan 0.000 0.455 182 T N -2.721 111.858 114.554 0.042 0.000 3.100 182 T HA 0.077 4.427 4.350 0.000 0.000 0.253 182 T C 0.909 175.675 174.700 0.109 0.000 1.118 182 T CA 0.539 62.688 62.100 0.080 0.000 1.058 182 T CB 0.173 69.116 68.868 0.124 0.000 0.953 182 T HN -0.047 nan 8.240 nan 0.000 0.515 183 S N 1.565 117.336 115.700 0.119 0.000 3.628 183 S HA -0.175 4.295 4.470 0.000 0.000 0.373 183 S C -0.152 174.594 174.600 0.242 0.000 0.968 183 S CA 0.488 58.803 58.200 0.191 0.000 1.215 183 S CB -2.256 61.065 63.200 0.202 0.000 0.912 183 S HN 0.899 nan 8.310 nan 0.000 0.495 184 D N 1.620 122.142 120.400 0.204 0.000 2.531 184 D HA 0.100 4.740 4.640 0.000 0.000 0.239 184 D C 0.334 176.746 176.300 0.185 0.000 1.144 184 D CA 0.855 54.974 54.000 0.199 0.000 0.869 184 D CB 0.411 41.375 40.800 0.273 0.000 1.160 184 D HN 0.408 nan 8.370 nan 0.000 0.484 185 K N 2.662 123.109 120.400 0.078 0.000 2.800 185 K HA 0.176 4.496 4.320 0.000 0.000 0.185 185 K C -0.210 176.383 176.600 -0.011 0.000 1.082 185 K CA -0.247 56.044 56.287 0.006 0.000 0.978 185 K CB 0.027 32.408 32.500 -0.197 0.000 1.364 185 K HN 0.523 nan 8.250 nan 0.000 0.592 186 T N -2.790 111.769 114.554 0.008 0.000 3.275 186 T HA 0.224 4.574 4.350 0.000 0.000 0.298 186 T C 0.761 175.449 174.700 -0.020 0.000 0.988 186 T CA -0.537 61.554 62.100 -0.016 0.000 0.936 186 T CB 0.770 69.621 68.868 -0.028 0.000 1.159 186 T HN 0.240 nan 8.240 nan 0.000 0.519 187 G N 1.256 110.041 108.800 -0.025 0.000 2.636 187 G HA2 0.586 4.546 3.960 0.000 0.000 0.246 187 G HA3 0.586 4.546 3.960 0.000 0.000 0.246 187 G C -0.537 174.324 174.900 -0.067 0.000 1.216 187 G CA -0.763 44.305 45.100 -0.054 0.000 0.854 187 G HN 0.478 nan 8.290 nan 0.000 0.572 188 R N -0.764 119.679 120.500 -0.095 0.000 2.725 188 R HA 0.392 4.732 4.340 0.000 0.000 0.277 188 R C -1.494 174.695 176.300 -0.185 0.000 0.987 188 R CA -0.931 55.096 56.100 -0.122 0.000 0.901 188 R CB 2.186 32.427 30.300 -0.098 0.000 1.207 188 R HN 0.380 nan 8.270 nan 0.000 0.463 189 L N 3.937 125.037 121.223 -0.205 0.000 2.272 189 L HA 0.562 4.902 4.340 0.000 0.000 0.289 189 L C -1.253 175.425 176.870 -0.320 0.000 1.032 189 L CA -0.039 54.646 54.840 -0.258 0.000 0.810 189 L CB 0.945 42.864 42.059 -0.233 0.000 1.205 189 L HN 0.524 nan 8.230 nan 0.000 0.422 190 I N 4.579 124.853 120.570 -0.492 0.000 2.785 190 I HA 0.510 4.680 4.170 0.000 0.000 0.302 190 I C -0.717 175.078 176.117 -0.537 0.000 1.069 190 I CA -0.747 60.203 61.300 -0.584 0.000 1.045 190 I CB 2.080 39.539 38.000 -0.901 0.000 1.236 190 I HN 0.560 nan 8.210 nan 0.000 0.429 191 K N 4.388 124.673 120.400 -0.191 0.000 2.259 191 K HA 0.504 4.824 4.320 0.000 0.000 0.252 191 K C -1.994 174.713 176.600 0.178 0.000 0.936 191 K CA -0.605 55.654 56.287 -0.047 0.000 0.810 191 K CB 2.110 34.593 32.500 -0.028 0.000 1.143 191 K HN 0.597 nan 8.250 nan 0.000 0.427 192 Y N 2.091 122.445 120.300 0.091 0.000 2.361 192 Y HA 0.307 4.857 4.550 0.000 0.000 0.337 192 Y C -1.497 174.352 175.900 -0.085 0.000 0.965 192 Y CA -0.878 57.272 58.100 0.083 0.000 1.091 192 Y CB 1.861 40.411 38.460 0.150 0.000 1.182 192 Y HN 0.760 nan 8.280 nan 0.000 0.450 193 D N 8.369 128.284 120.400 -0.808 0.000 2.427 193 D HA 0.311 4.951 4.640 0.000 0.000 0.226 193 D C -2.141 173.693 176.300 -0.776 0.000 1.076 193 D CA -2.362 51.279 54.000 -0.599 0.000 0.849 193 D CB 2.244 42.851 40.800 -0.321 0.000 1.052 193 D HN 0.367 nan 8.370 nan 0.000 0.515 194 P HA -0.137 nan 4.420 nan 0.000 0.219 194 P C 1.310 178.559 177.300 -0.085 0.000 1.146 194 P CA 0.980 64.000 63.100 -0.134 0.000 0.808 194 P CB 0.250 32.013 31.700 0.105 0.000 0.779 195 S N -1.839 113.800 115.700 -0.103 0.000 2.461 195 S HA -0.081 4.389 4.470 0.000 0.000 0.228 195 S C 1.781 176.346 174.600 -0.058 0.000 1.005 195 S CA 1.595 59.764 58.200 -0.052 0.000 0.942 195 S CB -1.626 61.552 63.200 -0.036 0.000 0.776 195 S HN 0.291 nan 8.310 nan 0.000 0.514 196 T N -2.189 112.300 114.554 -0.109 0.000 3.000 196 T HA 0.368 4.718 4.350 0.000 0.000 0.248 196 T C 0.720 175.378 174.700 -0.070 0.000 1.034 196 T CA 0.321 62.373 62.100 -0.080 0.000 1.060 196 T CB -0.392 68.426 68.868 -0.083 0.000 0.983 196 T HN 0.335 nan 8.240 nan 0.000 0.482 197 K N 0.858 121.166 120.400 -0.154 0.000 3.446 197 K HA -0.142 4.178 4.320 0.000 0.000 0.312 197 K C -0.763 175.894 176.600 0.095 0.000 1.329 197 K CA 1.166 57.455 56.287 0.003 0.000 0.935 197 K CB -1.414 31.157 32.500 0.118 0.000 1.281 197 K HN 0.794 nan 8.250 nan 0.000 0.457 198 E N -0.072 120.106 120.200 -0.037 0.000 2.227 198 E HA 0.457 4.807 4.350 0.000 0.000 0.268 198 E C -0.305 176.368 176.600 0.123 0.000 0.990 198 E CA -0.888 55.554 56.400 0.070 0.000 0.856 198 E CB 1.201 30.925 29.700 0.041 0.000 1.159 198 E HN 0.108 nan 8.360 nan 0.000 0.401 199 T N 0.233 114.918 114.554 0.218 0.000 2.824 199 T HA 0.538 4.888 4.350 0.000 0.000 0.280 199 T C -0.443 174.344 174.700 0.144 0.000 0.995 199 T CA -1.012 61.251 62.100 0.272 0.000 1.009 199 T CB 1.237 70.339 68.868 0.391 0.000 0.955 199 T HN 0.412 nan 8.240 nan 0.000 0.452 200 T N 3.081 117.697 114.554 0.104 0.000 2.812 200 T HA 0.464 4.814 4.350 0.000 0.000 0.282 200 T C -0.289 174.415 174.700 0.007 0.000 0.990 200 T CA -0.713 61.417 62.100 0.050 0.000 0.960 200 T CB 1.359 70.252 68.868 0.042 0.000 0.948 200 T HN 0.581 nan 8.240 nan 0.000 0.438 201 L N 4.253 125.474 121.223 -0.003 0.000 2.367 201 L HA 0.365 4.705 4.340 0.000 0.000 0.275 201 L C 0.457 177.271 176.870 -0.093 0.000 1.129 201 L CA 0.120 54.929 54.840 -0.052 0.000 0.839 201 L CB 0.177 42.221 42.059 -0.024 0.000 1.133 201 L HN 0.730 nan 8.230 nan 0.000 0.453 202 L N 4.696 125.804 121.223 -0.191 0.000 2.433 202 L HA 0.294 4.634 4.340 0.000 0.000 0.200 202 L C -0.140 176.526 176.870 -0.339 0.000 1.059 202 L CA 0.100 54.728 54.840 -0.353 0.000 0.835 202 L CB 0.023 41.700 42.059 -0.637 0.000 1.076 202 L HN 0.431 nan 8.230 nan 0.000 0.481 203 L N 0.647 121.706 121.223 -0.273 0.000 2.422 203 L HA 0.412 4.752 4.340 0.000 0.000 0.264 203 L C -0.911 175.885 176.870 -0.122 0.000 0.984 203 L CA -0.610 54.123 54.840 -0.178 0.000 0.819 203 L CB 2.429 44.376 42.059 -0.187 0.000 1.330 203 L HN 0.063 nan 8.230 nan 0.000 0.410 204 K N 0.565 120.918 120.400 -0.078 0.000 2.346 204 K HA 0.582 4.902 4.320 0.000 0.000 0.238 204 K C -0.508 176.063 176.600 -0.050 0.000 1.039 204 K CA -0.662 55.590 56.287 -0.059 0.000 0.861 204 K CB 1.848 34.324 32.500 -0.040 0.000 1.278 204 K HN 0.587 nan 8.250 nan 0.000 0.460 205 E N 0.441 120.615 120.200 -0.043 0.000 2.513 205 E HA -0.184 4.166 4.350 0.000 0.000 0.257 205 E C -0.701 175.873 176.600 -0.044 0.000 1.098 205 E CA 0.303 56.678 56.400 -0.043 0.000 0.752 205 E CB -1.550 28.124 29.700 -0.044 0.000 1.324 205 E HN 0.394 nan 8.360 nan 0.000 0.403 206 L N 0.393 121.594 121.223 -0.037 0.000 2.436 206 L HA 0.251 4.591 4.340 0.000 0.000 0.265 206 L C 0.977 177.871 176.870 0.041 0.000 1.168 206 L CA -0.492 54.338 54.840 -0.017 0.000 0.815 206 L CB 0.273 42.304 42.059 -0.046 0.000 1.109 206 L HN 0.121 nan 8.230 nan 0.000 0.462 207 H N 2.530 121.562 119.070 -0.064 0.000 2.882 207 H HA 0.231 4.787 4.556 0.000 0.000 0.258 207 H C -0.568 174.720 175.328 -0.066 0.000 1.579 207 H CA -0.736 55.278 56.048 -0.057 0.000 1.340 207 H CB -0.423 29.305 29.762 -0.057 0.000 1.645 207 H HN 0.338 nan 8.280 nan 0.000 0.541 208 V N 4.845 124.769 119.914 0.017 0.000 5.998 208 V HA -0.180 3.940 4.120 0.000 0.000 0.253 208 V C -2.282 173.692 176.094 -0.200 0.000 0.630 208 V CA 0.352 62.564 62.300 -0.146 0.000 0.750 208 V CB -1.067 30.646 31.823 -0.183 0.000 0.744 208 V HN 0.712 nan 8.190 nan 0.000 0.481 209 P HA 0.277 nan 4.420 nan 0.000 0.252 209 P C 1.034 178.166 177.300 -0.279 0.000 1.727 209 P CA 0.712 63.703 63.100 -0.182 0.000 1.134 209 P CB 0.749 32.367 31.700 -0.137 0.000 1.876 210 G N 1.700 110.304 108.800 -0.327 0.000 3.181 210 G HA2 0.373 4.333 3.960 0.000 0.000 0.219 210 G HA3 0.373 4.333 3.960 0.000 0.000 0.219 210 G C 0.513 175.370 174.900 -0.071 0.000 1.182 210 G CA -0.265 44.568 45.100 -0.445 0.000 0.791 210 G HN 0.609 nan 8.290 nan 0.000 0.537 211 G N -1.366 107.423 108.800 -0.019 0.000 2.759 211 G HA2 0.724 4.684 3.960 0.000 0.000 0.297 211 G HA3 0.724 4.684 3.960 0.000 0.000 0.297 211 G C -1.387 173.538 174.900 0.042 0.000 1.434 211 G CA 0.144 45.279 45.100 0.058 0.000 0.980 211 G HN 0.798 nan 8.290 nan 0.000 0.531 212 A N 0.820 123.684 122.820 0.073 0.000 2.574 212 A HA 0.931 5.251 4.320 0.000 0.000 0.297 212 A C -1.161 176.474 177.584 0.085 0.000 1.062 212 A CA -0.589 51.481 52.037 0.054 0.000 0.686 212 A CB 2.495 21.526 19.000 0.050 0.000 1.285 212 A HN 1.135 nan 8.150 nan 0.000 0.403 213 E N 0.283 120.514 120.200 0.051 0.000 2.380 213 E HA 0.516 4.866 4.350 0.000 0.000 0.281 213 E C -2.108 174.500 176.600 0.014 0.000 0.999 213 E CA -0.365 56.089 56.400 0.090 0.000 0.800 213 E CB 1.993 31.800 29.700 0.179 0.000 1.228 213 E HN 1.112 nan 8.360 nan 0.000 0.436 214 V N 2.973 122.896 119.914 0.015 0.000 2.713 214 V HA 0.689 4.809 4.120 0.000 0.000 0.307 214 V C -0.220 175.804 176.094 -0.116 0.000 1.052 214 V CA 0.155 62.370 62.300 -0.141 0.000 0.967 214 V CB 1.776 33.508 31.823 -0.151 0.000 1.019 214 V HN 0.877 nan 8.190 nan 0.000 0.459 215 S N 4.701 120.133 115.700 -0.447 0.000 2.585 215 S HA 0.396 4.866 4.470 0.000 0.000 0.273 215 S C 1.232 175.671 174.600 -0.268 0.000 1.339 215 S CA 0.115 57.987 58.200 -0.547 0.000 1.028 215 S CB 1.387 63.691 63.200 -1.493 0.000 0.906 215 S HN 1.424 nan 8.310 nan 0.000 0.528 216 A N 1.433 124.138 122.820 -0.193 0.000 1.972 216 A HA -0.092 4.228 4.320 0.000 0.000 0.219 216 A C 1.628 179.149 177.584 -0.106 0.000 1.169 216 A CA 1.616 53.575 52.037 -0.131 0.000 0.635 216 A CB -0.930 17.984 19.000 -0.143 0.000 0.810 216 A HN 0.987 nan 8.150 nan 0.000 0.446 217 D N -2.364 117.960 120.400 -0.128 0.000 2.349 217 D HA 0.149 4.789 4.640 0.000 0.000 0.214 217 D C 0.523 176.777 176.300 -0.076 0.000 1.063 217 D CA 0.801 54.758 54.000 -0.072 0.000 0.847 217 D CB -0.314 40.472 40.800 -0.023 0.000 0.933 217 D HN 0.151 nan 8.370 nan 0.000 0.513 218 S N -1.635 113.979 115.700 -0.144 0.000 3.228 218 S HA -0.255 4.215 4.470 0.000 0.000 0.282 218 S C 1.370 175.916 174.600 -0.089 0.000 1.286 218 S CA 0.950 59.086 58.200 -0.107 0.000 1.066 218 S CB -2.292 60.903 63.200 -0.008 0.000 1.277 218 S HN 0.623 nan 8.310 nan 0.000 0.661 219 S N 0.409 116.045 115.700 -0.106 0.000 2.436 219 S HA 0.380 4.850 4.470 0.000 0.000 0.228 219 S C 0.401 175.122 174.600 0.201 0.000 1.014 219 S CA 0.504 58.771 58.200 0.111 0.000 0.950 219 S CB -0.428 62.951 63.200 0.299 0.000 0.784 219 S HN 1.017 nan 8.310 nan 0.000 0.504 220 F N -1.112 118.817 119.950 -0.034 0.000 2.668 220 F HA 0.818 5.345 4.527 0.000 0.000 0.309 220 F C -1.517 174.144 175.800 -0.233 0.000 1.117 220 F CA -1.731 56.145 58.000 -0.206 0.000 0.951 220 F CB 1.289 39.983 39.000 -0.510 0.000 1.323 220 F HN -0.203 nan 8.300 nan 0.000 0.451 221 V N 3.128 123.044 119.914 0.004 0.000 2.495 221 V HA 0.516 4.636 4.120 0.000 0.000 0.298 221 V C -0.181 175.920 176.094 0.011 0.000 1.031 221 V CA -0.782 61.468 62.300 -0.082 0.000 0.871 221 V CB 1.575 33.278 31.823 -0.200 0.000 0.988 221 V HN 0.742 nan 8.190 nan 0.000 0.432 222 L N 4.804 126.002 121.223 -0.042 0.000 2.325 222 L HA 0.751 5.091 4.340 0.000 0.000 0.279 222 L C -0.290 176.541 176.870 -0.065 0.000 1.054 222 L CA -0.684 54.096 54.840 -0.100 0.000 0.804 222 L CB 1.710 43.645 42.059 -0.208 0.000 1.200 222 L HN 0.486 nan 8.230 nan 0.000 0.436 223 V N 2.071 121.945 119.914 -0.067 0.000 2.638 223 V HA 0.782 4.902 4.120 0.000 0.000 0.306 223 V C -0.293 175.771 176.094 -0.050 0.000 1.052 223 V CA -0.401 61.869 62.300 -0.050 0.000 0.885 223 V CB 1.801 33.586 31.823 -0.064 0.000 0.999 223 V HN 0.855 nan 8.190 nan 0.000 0.424 224 A N 5.220 128.023 122.820 -0.028 0.000 2.320 224 A HA 0.650 4.970 4.320 0.000 0.000 0.287 224 A C 0.042 177.598 177.584 -0.047 0.000 1.181 224 A CA -0.408 51.612 52.037 -0.029 0.000 0.831 224 A CB 0.177 19.185 19.000 0.013 0.000 1.102 224 A HN 0.904 nan 8.150 nan 0.000 0.513 225 E N 2.988 123.155 120.200 -0.055 0.000 2.035 225 E HA 0.173 4.523 4.350 0.000 0.000 0.271 225 E C -0.132 176.412 176.600 -0.094 0.000 0.953 225 E CA -0.373 55.992 56.400 -0.057 0.000 0.777 225 E CB 0.606 30.290 29.700 -0.027 0.000 1.104 225 E HN 0.719 nan 8.360 nan 0.000 0.408 226 F N 3.434 123.237 119.950 -0.244 0.000 2.091 226 F HA -0.244 4.283 4.527 0.000 0.000 0.299 226 F C 1.357 176.905 175.800 -0.420 0.000 1.103 226 F CA 1.658 59.490 58.000 -0.280 0.000 1.228 226 F CB 0.192 39.018 39.000 -0.290 0.000 0.984 226 F HN 0.396 nan 8.300 nan 0.000 0.477 227 L N -1.290 119.690 121.223 -0.405 0.000 2.509 227 L HA 0.005 4.345 4.340 0.000 0.000 0.222 227 L C 1.825 178.267 176.870 -0.713 0.000 1.123 227 L CA 0.471 54.869 54.840 -0.736 0.000 0.856 227 L CB -0.292 41.147 42.059 -1.033 0.000 0.985 227 L HN 0.018 nan 8.230 nan 0.000 0.456 228 S N -2.071 113.384 115.700 -0.409 0.000 2.540 228 S HA 0.087 4.557 4.470 0.000 0.000 0.218 228 S C 0.048 174.587 174.600 -0.102 0.000 0.977 228 S CA -0.310 57.817 58.200 -0.123 0.000 0.918 228 S CB -0.129 63.113 63.200 0.070 0.000 0.806 228 S HN 0.486 nan 8.310 nan 0.000 0.496 229 H N 1.680 120.644 119.070 -0.177 0.000 2.756 229 H HA -0.165 4.391 4.556 0.000 0.000 0.315 229 H C 0.038 175.280 175.328 -0.143 0.000 1.210 229 H CA 0.977 56.914 56.048 -0.185 0.000 1.150 229 H CB -1.549 28.116 29.762 -0.161 0.000 1.463 229 H HN 0.591 nan 8.280 nan 0.000 0.427 230 Q N -0.716 119.051 119.800 -0.054 0.000 2.472 230 Q HA 0.562 4.902 4.340 0.000 0.000 0.281 230 Q C -1.356 174.571 176.000 -0.120 0.000 0.997 230 Q CA -1.297 54.451 55.803 -0.090 0.000 0.828 230 Q CB 2.100 30.795 28.738 -0.071 0.000 1.443 230 Q HN 0.110 nan 8.270 nan 0.000 0.390 231 I N 1.870 122.329 120.570 -0.186 0.000 2.336 231 I HA 0.422 4.592 4.170 0.000 0.000 0.292 231 I C -0.134 175.874 176.117 -0.181 0.000 0.991 231 I CA -1.020 60.166 61.300 -0.190 0.000 1.227 231 I CB 1.176 39.001 38.000 -0.292 0.000 1.366 231 I HN 0.496 nan 8.210 nan 0.000 0.466 232 V N 6.348 126.177 119.914 -0.142 0.000 2.472 232 V HA 0.334 4.454 4.120 0.000 0.000 0.290 232 V C 0.350 176.330 176.094 -0.191 0.000 1.037 232 V CA -0.899 61.317 62.300 -0.140 0.000 0.908 232 V CB 2.022 33.797 31.823 -0.081 0.000 0.985 232 V HN 0.631 nan 8.190 nan 0.000 0.454 233 K N 3.556 123.787 120.400 -0.282 0.000 2.263 233 K HA 0.350 4.670 4.320 0.000 0.000 0.272 233 K C -1.496 174.909 176.600 -0.326 0.000 1.033 233 K CA -0.559 55.441 56.287 -0.479 0.000 0.884 233 K CB 0.682 32.626 32.500 -0.928 0.000 1.107 233 K HN 0.682 nan 8.250 nan 0.000 0.460 234 Y N 4.846 124.976 120.300 -0.283 0.000 2.335 234 Y HA 0.236 4.786 4.550 0.000 0.000 0.339 234 Y C -1.068 174.793 175.900 -0.065 0.000 0.987 234 Y CA -0.815 57.209 58.100 -0.127 0.000 1.140 234 Y CB 0.693 39.110 38.460 -0.070 0.000 1.173 234 Y HN 0.546 nan 8.280 nan 0.000 0.486 235 W N 8.959 129.893 121.300 -0.610 0.000 2.358 235 W HA 0.188 4.848 4.660 0.000 0.000 0.307 235 W C 0.081 176.244 176.519 -0.594 0.000 1.203 235 W CA -0.431 56.671 57.345 -0.405 0.000 1.279 235 W CB 1.078 30.406 29.460 -0.219 0.000 1.264 235 W HN 0.804 nan 8.180 nan 0.000 0.474 236 L N 2.103 123.298 121.223 -0.046 0.000 2.270 236 L HA 0.004 4.344 4.340 0.000 0.000 0.210 236 L C 0.902 177.808 176.870 0.060 0.000 1.104 236 L CA 1.182 56.026 54.840 0.007 0.000 0.804 236 L CB -0.131 41.964 42.059 0.059 0.000 0.937 236 L HN 0.154 nan 8.230 nan 0.000 0.450 237 E N -0.771 119.493 120.200 0.107 0.000 2.383 237 E HA 0.617 4.967 4.350 0.000 0.000 0.275 237 E C -0.333 176.280 176.600 0.022 0.000 0.918 237 E CA 0.170 56.612 56.400 0.069 0.000 0.764 237 E CB 2.324 32.071 29.700 0.078 0.000 1.252 237 E HN 0.074 nan 8.360 nan 0.000 0.449 238 G N 1.747 110.528 108.800 -0.031 0.000 2.483 238 G HA2 -0.143 3.817 3.960 0.000 0.000 0.521 238 G HA3 -0.143 3.817 3.960 0.000 0.000 0.521 238 G C -2.205 172.617 174.900 -0.131 0.000 1.278 238 G CA -0.430 44.607 45.100 -0.105 0.000 0.965 238 G HN 0.434 nan 8.290 nan 0.000 0.504 239 P HA 0.128 nan 4.420 nan 0.000 0.226 239 P C 1.118 178.318 177.300 -0.167 0.000 1.153 239 P CA 1.129 64.140 63.100 -0.147 0.000 0.777 239 P CB 0.042 31.650 31.700 -0.153 0.000 0.794 240 K N -0.366 119.874 120.400 -0.266 0.000 2.493 240 K HA 0.096 4.416 4.320 0.000 0.000 0.207 240 K C 0.591 177.142 176.600 -0.082 0.000 1.033 240 K CA -0.307 55.847 56.287 -0.221 0.000 1.161 240 K CB 0.267 32.497 32.500 -0.449 0.000 0.873 240 K HN 0.030 nan 8.250 nan 0.000 0.491 241 K N 0.805 121.161 120.400 -0.073 0.000 2.451 241 K HA -0.039 4.281 4.320 0.000 0.000 0.280 241 K C 0.685 177.265 176.600 -0.033 0.000 1.020 241 K CA 1.181 57.441 56.287 -0.046 0.000 1.008 241 K CB 0.420 32.909 32.500 -0.019 0.000 0.917 241 K HN 0.446 nan 8.250 nan 0.000 0.478 242 G N 2.752 111.479 108.800 -0.122 0.000 2.176 242 G HA2 -0.214 3.746 3.960 0.000 0.000 0.253 242 G HA3 -0.214 3.746 3.960 0.000 0.000 0.253 242 G C 0.080 175.102 174.900 0.204 0.000 0.979 242 G CA 0.445 45.610 45.100 0.109 0.000 0.641 242 G HN 0.644 nan 8.290 nan 0.000 0.530 243 T N 0.391 114.983 114.554 0.064 0.000 2.918 243 T HA 0.807 5.157 4.350 0.000 0.000 0.286 243 T C 0.124 174.936 174.700 0.185 0.000 1.026 243 T CA 0.486 62.675 62.100 0.149 0.000 1.031 243 T CB 1.876 70.814 68.868 0.117 0.000 1.046 243 T HN 1.445 nan 8.240 nan 0.000 0.479 244 A N 2.170 125.118 122.820 0.212 0.000 2.454 244 A HA 0.859 5.179 4.320 0.000 0.000 0.302 244 A C -0.817 176.824 177.584 0.096 0.000 1.079 244 A CA -0.841 51.294 52.037 0.163 0.000 0.731 244 A CB 1.365 20.482 19.000 0.194 0.000 1.299 244 A HN 0.875 nan 8.150 nan 0.000 0.413 245 E N 0.189 120.401 120.200 0.019 0.000 2.433 245 E HA 0.562 4.912 4.350 0.000 0.000 0.278 245 E C -1.489 175.072 176.600 -0.064 0.000 0.976 245 E CA -1.002 55.403 56.400 0.009 0.000 0.793 245 E CB 1.480 31.226 29.700 0.077 0.000 1.311 245 E HN 0.290 nan 8.360 nan 0.000 0.460 246 V N 2.367 122.252 119.914 -0.048 0.000 2.479 246 V HA -0.027 4.093 4.120 0.000 0.000 0.281 246 V C 0.783 176.813 176.094 -0.107 0.000 1.031 246 V CA 0.058 62.311 62.300 -0.079 0.000 1.038 246 V CB 0.658 32.449 31.823 -0.054 0.000 0.981 246 V HN 0.694 nan 8.190 nan 0.000 0.478 247 L N 6.304 127.427 121.223 -0.167 0.000 2.221 247 L HA 0.459 4.799 4.340 0.000 0.000 0.202 247 L C 0.458 177.222 176.870 -0.177 0.000 1.074 247 L CA 1.439 56.163 54.840 -0.194 0.000 0.795 247 L CB 0.723 42.611 42.059 -0.285 0.000 0.960 247 L HN 0.491 nan 8.230 nan 0.000 0.458 248 V N -0.168 119.612 119.914 -0.224 0.000 3.108 248 V HA 0.291 4.411 4.120 0.000 0.000 0.287 248 V C -1.404 174.557 176.094 -0.223 0.000 1.436 248 V CA -1.002 61.154 62.300 -0.239 0.000 1.001 248 V CB 2.135 33.731 31.823 -0.378 0.000 1.141 248 V HN 0.088 nan 8.190 nan 0.000 0.443 249 K N 6.030 126.333 120.400 -0.161 0.000 2.172 249 K HA 0.682 5.002 4.320 0.000 0.000 0.276 249 K C -1.126 175.393 176.600 -0.134 0.000 1.013 249 K CA -0.564 55.649 56.287 -0.123 0.000 0.913 249 K CB 1.538 33.986 32.500 -0.087 0.000 1.055 249 K HN 0.494 nan 8.250 nan 0.000 0.461 250 I N 3.665 124.171 120.570 -0.105 0.000 2.644 250 I HA 0.214 4.384 4.170 0.000 0.000 0.291 250 I C -2.628 173.461 176.117 -0.046 0.000 1.180 250 I CA -2.627 58.623 61.300 -0.084 0.000 1.040 250 I CB 1.952 39.898 38.000 -0.089 0.000 1.255 250 I HN 0.305 nan 8.210 nan 0.000 0.422 251 P HA 0.127 nan 4.420 nan 0.000 0.271 251 P C -0.345 176.972 177.300 0.029 0.000 1.233 251 P CA 0.148 63.190 63.100 -0.097 0.000 0.764 251 P CB 0.233 31.833 31.700 -0.166 0.000 0.825 252 N N 0.559 119.331 118.700 0.121 0.000 2.696 252 N HA -0.114 4.626 4.740 0.000 0.000 0.256 252 N C -2.214 173.172 175.510 -0.206 0.000 1.031 252 N CA 0.257 53.038 53.050 -0.447 0.000 0.730 252 N CB -1.245 37.045 38.487 -0.329 0.000 0.894 252 N HN 0.411 nan 8.380 nan 0.000 0.544 253 P HA 0.211 nan 4.420 nan 0.000 0.281 253 P C 0.708 178.099 177.300 0.152 0.000 1.252 253 P CA 0.077 63.195 63.100 0.030 0.000 0.778 253 P CB 1.202 32.902 31.700 -0.000 0.000 0.895 254 G N 3.420 112.287 108.800 0.112 0.000 3.365 254 G HA2 0.145 4.105 3.960 0.000 0.000 0.185 254 G HA3 0.145 4.105 3.960 0.000 0.000 0.185 254 G C 0.026 174.965 174.900 0.065 0.000 1.565 254 G CA -0.338 44.812 45.100 0.083 0.000 0.984 254 G HN 0.429 nan 8.290 nan 0.000 0.604 255 N N 0.314 119.054 118.700 0.067 0.000 2.416 255 N HA 0.262 5.002 4.740 0.000 0.000 0.246 255 N C -0.464 175.131 175.510 0.143 0.000 1.260 255 N CA 0.343 53.460 53.050 0.112 0.000 0.897 255 N CB 0.958 39.513 38.487 0.114 0.000 1.110 255 N HN 0.220 nan 8.380 nan 0.000 0.439 256 I N 1.292 121.962 120.570 0.168 0.000 2.466 256 I HA 0.311 4.481 4.170 0.000 0.000 0.289 256 I C -0.250 176.007 176.117 0.234 0.000 1.026 256 I CA -0.755 60.675 61.300 0.216 0.000 1.078 256 I CB 1.430 39.544 38.000 0.190 0.000 1.249 256 I HN 0.017 nan 8.210 nan 0.000 0.429 257 K N 5.948 126.517 120.400 0.282 0.000 2.443 257 K HA 0.471 4.791 4.320 0.000 0.000 0.252 257 K C -0.838 175.926 176.600 0.273 0.000 0.933 257 K CA -0.807 55.643 56.287 0.273 0.000 0.792 257 K CB 3.004 35.660 32.500 0.259 0.000 1.185 257 K HN 0.578 nan 8.250 nan 0.000 0.425 258 R N 2.341 122.967 120.500 0.210 0.000 2.441 258 R HA 0.114 4.454 4.340 0.000 0.000 0.284 258 R C 0.318 176.630 176.300 0.019 0.000 1.070 258 R CA -0.213 55.897 56.100 0.016 0.000 1.047 258 R CB 0.598 30.879 30.300 -0.032 0.000 1.016 258 R HN 0.760 nan 8.270 nan 0.000 0.477 259 N N 2.466 121.124 118.700 -0.070 0.000 2.530 259 N HA 0.131 4.871 4.740 0.000 0.000 0.283 259 N C 0.235 175.693 175.510 -0.087 0.000 1.238 259 N CA -0.109 52.944 53.050 0.005 0.000 0.971 259 N CB 0.845 39.399 38.487 0.111 0.000 1.195 259 N HN 0.518 nan 8.380 nan 0.000 0.583 260 A N -0.556 122.226 122.820 -0.064 0.000 2.067 260 A HA -0.107 4.213 4.320 0.000 0.000 0.219 260 A C 1.204 178.702 177.584 -0.143 0.000 1.158 260 A CA 1.200 53.179 52.037 -0.097 0.000 0.661 260 A CB -0.531 18.413 19.000 -0.093 0.000 0.801 260 A HN 0.710 nan 8.150 nan 0.000 0.452 261 D N -1.074 119.218 120.400 -0.180 0.000 2.363 261 D HA 0.150 4.790 4.640 0.000 0.000 0.220 261 D C 1.459 177.464 176.300 -0.492 0.000 0.994 261 D CA 1.203 55.025 54.000 -0.296 0.000 0.890 261 D CB 0.041 40.665 40.800 -0.293 0.000 0.906 261 D HN 0.597 nan 8.370 nan 0.000 0.530 262 G N 0.568 109.104 108.800 -0.441 0.000 2.157 262 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 262 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 262 G C 0.149 174.578 174.900 -0.784 0.000 0.979 262 G CA 0.141 44.928 45.100 -0.521 0.000 0.650 262 G HN 0.462 nan 8.290 nan 0.000 0.529 263 H N -1.371 117.325 119.070 -0.623 0.000 2.523 263 H HA 0.702 5.258 4.556 0.000 0.000 0.345 263 H C -0.333 174.320 175.328 -1.126 0.000 1.261 263 H CA -0.628 54.939 56.048 -0.802 0.000 1.343 263 H CB 0.794 30.285 29.762 -0.450 0.000 1.650 263 H HN 0.118 nan 8.280 nan 0.000 0.591 264 F N -0.037 119.648 119.950 -0.442 0.000 2.507 264 F HA 0.234 4.761 4.527 0.000 0.000 0.325 264 F C -0.916 174.484 175.800 -0.668 0.000 1.116 264 F CA -0.874 56.772 58.000 -0.590 0.000 0.930 264 F CB 0.930 39.404 39.000 -0.875 0.000 1.146 264 F HN 0.338 nan 8.300 nan 0.000 0.447 265 W N 3.305 124.580 121.300 -0.042 0.000 2.390 265 W HA 0.689 5.349 4.660 0.000 0.000 0.312 265 W C -0.798 175.795 176.519 0.123 0.000 1.123 265 W CA -0.912 56.455 57.345 0.038 0.000 1.202 265 W CB 1.714 31.206 29.460 0.052 0.000 1.251 265 W HN 0.313 nan 8.180 nan 0.000 0.511 266 V N 4.309 124.516 119.914 0.489 0.000 2.735 266 V HA 0.551 4.671 4.120 0.000 0.000 0.310 266 V C -0.156 176.104 176.094 0.277 0.000 1.061 266 V CA -0.801 61.719 62.300 0.365 0.000 0.913 266 V CB 2.012 34.086 31.823 0.418 0.000 1.005 266 V HN 0.506 nan 8.190 nan 0.000 0.428 267 S N 4.152 119.877 115.700 0.041 0.000 2.565 267 S HA 0.556 5.026 4.470 0.000 0.000 0.274 267 S C -0.109 174.434 174.600 -0.094 0.000 1.309 267 S CA -0.108 57.906 58.200 -0.310 0.000 1.043 267 S CB 1.398 63.995 63.200 -1.006 0.000 0.939 267 S HN 1.261 nan 8.310 nan 0.000 0.504 268 S N 2.008 117.737 115.700 0.048 0.000 2.774 268 S HA 0.441 4.911 4.470 0.000 0.000 0.297 268 S C -0.713 174.008 174.600 0.202 0.000 1.143 268 S CA -0.699 57.575 58.200 0.124 0.000 1.090 268 S CB 0.475 63.767 63.200 0.153 0.000 1.019 268 S HN 0.672 nan 8.310 nan 0.000 0.482 269 S N 3.982 119.783 115.700 0.169 0.000 3.315 269 S HA 0.181 4.651 4.470 0.000 0.000 0.195 269 S C 0.032 174.706 174.600 0.123 0.000 1.394 269 S CA -0.471 57.865 58.200 0.226 0.000 0.983 269 S CB 0.029 63.450 63.200 0.369 0.000 1.370 269 S HN 0.847 nan 8.310 nan 0.000 0.491 270 E N 2.403 122.655 120.200 0.087 0.000 2.463 270 E HA -0.059 4.291 4.350 0.000 0.000 0.248 270 E C -0.432 176.180 176.600 0.020 0.000 1.106 270 E CA 0.240 56.659 56.400 0.033 0.000 0.946 270 E CB 0.282 29.993 29.700 0.019 0.000 0.971 270 E HN 0.462 nan 8.360 nan 0.000 0.478 271 E N 4.742 124.965 120.200 0.037 0.000 2.070 271 E HA 0.034 4.384 4.350 0.000 0.000 0.282 271 E C 0.796 177.415 176.600 0.031 0.000 1.104 271 E CA -0.203 56.230 56.400 0.055 0.000 0.876 271 E CB 0.713 30.489 29.700 0.126 0.000 1.055 271 E HN 0.643 nan 8.360 nan 0.000 0.401 272 L N 2.566 123.803 121.223 0.023 0.000 2.265 272 L HA -0.157 4.183 4.340 0.000 0.000 0.215 272 L C 0.851 177.734 176.870 0.022 0.000 1.117 272 L CA 0.967 55.815 54.840 0.014 0.000 0.782 272 L CB -0.049 42.019 42.059 0.015 0.000 0.914 272 L HN 0.498 nan 8.230 nan 0.000 0.441 273 D N -0.679 119.745 120.400 0.041 0.000 2.431 273 D HA 0.134 4.774 4.640 0.000 0.000 0.213 273 D C 1.344 177.680 176.300 0.059 0.000 1.130 273 D CA 0.791 54.820 54.000 0.048 0.000 0.834 273 D CB 1.006 41.841 40.800 0.058 0.000 0.985 273 D HN 0.296 nan 8.370 nan 0.000 0.504 274 G N 2.628 111.467 108.800 0.064 0.000 2.160 274 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 274 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 274 G C 0.088 175.045 174.900 0.094 0.000 1.008 274 G CA 0.420 45.566 45.100 0.077 0.000 0.724 274 G HN 0.513 nan 8.290 nan 0.000 0.514 275 N N -1.802 116.966 118.700 0.114 0.000 2.710 275 N HA 0.336 5.076 4.740 0.000 0.000 0.257 275 N C 0.912 176.517 175.510 0.159 0.000 1.327 275 N CA -0.515 52.611 53.050 0.127 0.000 0.861 275 N CB 0.564 39.122 38.487 0.117 0.000 1.532 275 N HN 0.193 nan 8.380 nan 0.000 0.499 276 M N 0.662 120.335 119.600 0.122 0.000 2.630 276 M HA -0.011 4.469 4.480 0.000 0.000 0.254 276 M C -0.254 176.074 176.300 0.046 0.000 1.092 276 M CA 1.250 56.615 55.300 0.108 0.000 1.087 276 M CB -0.662 31.897 32.600 -0.068 0.000 1.453 276 M HN 0.549 nan 8.290 nan 0.000 0.509 277 H N -0.088 119.071 119.070 0.150 0.000 2.595 277 H HA 0.306 4.862 4.556 0.000 0.000 0.265 277 H C 1.361 176.744 175.328 0.092 0.000 0.953 277 H CA 0.660 56.773 56.048 0.107 0.000 1.197 277 H CB -0.074 29.727 29.762 0.064 0.000 1.438 277 H HN 0.438 nan 8.280 nan 0.000 0.531 278 G N 0.837 109.752 108.800 0.192 0.000 2.447 278 G HA2 0.099 4.059 3.960 0.000 0.000 0.269 278 G HA3 0.099 4.059 3.960 0.000 0.000 0.269 278 G C 0.154 175.108 174.900 0.090 0.000 1.455 278 G CA -0.593 44.581 45.100 0.122 0.000 1.061 278 G HN 0.177 nan 8.290 nan 0.000 0.545 279 R N -1.442 119.092 120.500 0.057 0.000 2.490 279 R HA 0.408 4.748 4.340 0.000 0.000 0.280 279 R C -0.786 175.519 176.300 0.009 0.000 1.077 279 R CA -0.308 55.812 56.100 0.032 0.000 1.065 279 R CB 1.301 31.616 30.300 0.026 0.000 1.003 279 R HN 0.158 nan 8.270 nan 0.000 0.470 280 V N 1.986 121.887 119.914 -0.022 0.000 2.555 280 V HA 0.148 4.268 4.120 0.000 0.000 0.302 280 V C -0.515 175.574 176.094 -0.008 0.000 1.038 280 V CA -0.635 61.622 62.300 -0.070 0.000 0.887 280 V CB 1.878 33.554 31.823 -0.244 0.000 0.991 280 V HN 0.660 nan 8.190 nan 0.000 0.434 281 D N 5.295 125.704 120.400 0.016 0.000 2.460 281 D HA 0.364 5.004 4.640 0.000 0.000 0.268 281 D C -2.599 173.757 176.300 0.094 0.000 1.153 281 D CA -1.817 52.210 54.000 0.046 0.000 0.929 281 D CB 1.417 42.238 40.800 0.035 0.000 1.015 281 D HN 0.288 nan 8.370 nan 0.000 0.502 282 P HA 0.222 nan 4.420 nan 0.000 0.276 282 P C -0.786 176.620 177.300 0.177 0.000 1.243 282 P CA -0.325 62.916 63.100 0.234 0.000 0.768 282 P CB 1.071 32.876 31.700 0.175 0.000 0.856 283 K N 1.683 122.277 120.400 0.323 0.000 2.422 283 K HA 0.623 4.943 4.320 0.000 0.000 0.251 283 K C 0.100 176.973 176.600 0.455 0.000 0.933 283 K CA -0.809 55.631 56.287 0.256 0.000 0.798 283 K CB 2.290 34.904 32.500 0.191 0.000 1.238 283 K HN 0.428 nan 8.250 nan 0.000 0.428 284 G N 2.283 111.305 108.800 0.369 0.000 2.339 284 G HA2 0.521 4.481 3.960 0.000 0.000 0.287 284 G HA3 0.521 4.481 3.960 0.000 0.000 0.287 284 G C -0.481 174.783 174.900 0.607 0.000 1.163 284 G CA -0.441 44.961 45.100 0.503 0.000 0.872 284 G HN 0.459 nan 8.290 nan 0.000 0.464 285 I N 1.687 122.612 120.570 0.592 0.000 2.418 285 I HA 0.324 4.494 4.170 0.000 0.000 0.287 285 I C 0.039 176.268 176.117 0.186 0.000 1.008 285 I CA -0.747 60.779 61.300 0.376 0.000 1.104 285 I CB 2.176 40.340 38.000 0.272 0.000 1.264 285 I HN 0.379 nan 8.210 nan 0.000 0.438 286 K N 7.665 127.852 120.400 -0.355 0.000 2.159 286 K HA 0.678 4.998 4.320 0.000 0.000 0.266 286 K C -1.359 175.084 176.600 -0.261 0.000 0.975 286 K CA -0.334 55.467 56.287 -0.810 0.000 0.865 286 K CB 1.182 32.672 32.500 -1.683 0.000 1.087 286 K HN 0.490 nan 8.250 nan 0.000 0.446 287 F N 0.362 120.175 119.950 -0.229 0.000 2.685 287 F HA 0.510 5.037 4.527 0.000 0.000 0.315 287 F C -1.156 174.654 175.800 0.017 0.000 1.126 287 F CA -1.248 56.686 58.000 -0.110 0.000 0.950 287 F CB 0.777 39.757 39.000 -0.033 0.000 1.360 287 F HN 0.555 nan 8.300 nan 0.000 0.469 288 D N -0.669 119.860 120.400 0.215 0.000 2.494 288 D HA 0.230 4.870 4.640 0.000 0.000 0.259 288 D C 0.564 177.083 176.300 0.365 0.000 1.109 288 D CA -0.321 53.820 54.000 0.235 0.000 1.040 288 D CB 0.751 41.619 40.800 0.112 0.000 1.175 288 D HN 0.808 nan 8.370 nan 0.000 0.584 289 E N -0.839 119.502 120.200 0.234 0.000 2.331 289 E HA -0.151 4.199 4.350 0.000 0.000 0.199 289 E C 0.629 176.999 176.600 -0.383 0.000 1.008 289 E CA 1.068 57.428 56.400 -0.067 0.000 0.843 289 E CB -0.594 29.042 29.700 -0.107 0.000 0.761 289 E HN 0.373 nan 8.360 nan 0.000 0.507 290 F N 0.218 120.234 119.950 0.110 0.000 2.695 290 F HA 0.406 4.933 4.527 0.000 0.000 0.303 290 F C 1.484 177.295 175.800 0.019 0.000 1.091 290 F CA -0.017 58.009 58.000 0.044 0.000 1.300 290 F CB 0.794 39.834 39.000 0.066 0.000 1.071 290 F HN 0.128 nan 8.300 nan 0.000 0.578 291 G N 1.096 109.997 108.800 0.168 0.000 2.160 291 G HA2 -0.304 3.656 3.960 0.000 0.000 0.244 291 G HA3 -0.304 3.656 3.960 0.000 0.000 0.244 291 G C -0.285 174.656 174.900 0.067 0.000 1.022 291 G CA -0.301 44.832 45.100 0.056 0.000 0.741 291 G HN 0.477 nan 8.290 nan 0.000 0.508 292 N N -0.388 118.396 118.700 0.141 0.000 2.455 292 N HA 0.595 5.335 4.740 0.000 0.000 0.280 292 N C 0.308 175.875 175.510 0.095 0.000 1.055 292 N CA -0.697 52.408 53.050 0.092 0.000 0.961 292 N CB 1.395 39.941 38.487 0.099 0.000 1.121 292 N HN 0.266 nan 8.380 nan 0.000 0.476 293 I N 2.368 122.970 120.570 0.054 0.000 2.474 293 I HA 0.036 4.206 4.170 0.000 0.000 0.287 293 I C 0.825 176.940 176.117 -0.003 0.000 1.048 293 I CA -0.073 61.260 61.300 0.055 0.000 1.383 293 I CB 0.849 38.870 38.000 0.035 0.000 1.412 293 I HN 0.527 nan 8.210 nan 0.000 0.531 294 L N 4.100 125.287 121.223 -0.060 0.000 2.803 294 L HA 0.408 4.748 4.340 0.000 0.000 0.246 294 L C 0.303 177.131 176.870 -0.070 0.000 1.100 294 L CA 0.191 54.970 54.840 -0.102 0.000 0.919 294 L CB 0.197 42.120 42.059 -0.226 0.000 1.285 294 L HN 0.528 nan 8.230 nan 0.000 0.522 295 E N 0.398 120.550 120.200 -0.081 0.000 2.372 295 E HA 0.533 4.883 4.350 0.000 0.000 0.279 295 E C -1.634 175.013 176.600 0.077 0.000 0.946 295 E CA -0.323 56.084 56.400 0.011 0.000 0.769 295 E CB 3.899 33.607 29.700 0.014 0.000 1.230 295 E HN -0.291 nan 8.360 nan 0.000 0.442 296 V N 3.691 123.693 119.914 0.148 0.000 2.482 296 V HA 0.442 4.562 4.120 0.000 0.000 0.295 296 V C -0.419 175.787 176.094 0.187 0.000 1.026 296 V CA -0.570 61.838 62.300 0.181 0.000 0.856 296 V CB 1.558 33.452 31.823 0.118 0.000 1.001 296 V HN 0.536 nan 8.190 nan 0.000 0.424 297 I N 6.303 127.004 120.570 0.219 0.000 2.405 297 I HA 0.358 4.528 4.170 0.000 0.000 0.280 297 I C -2.584 173.565 176.117 0.054 0.000 1.027 297 I CA -1.972 59.395 61.300 0.112 0.000 1.161 297 I CB 2.176 40.201 38.000 0.042 0.000 1.300 297 I HN 0.362 nan 8.210 nan 0.000 0.463 298 P HA 0.125 nan 4.420 nan 0.000 0.267 298 P C -0.305 176.970 177.300 -0.043 0.000 1.209 298 P CA 0.022 63.130 63.100 0.014 0.000 0.763 298 P CB 0.434 32.147 31.700 0.023 0.000 0.816 299 L N 6.171 127.335 121.223 -0.099 0.000 2.426 299 L HA 0.257 4.597 4.340 0.000 0.000 0.271 299 L C -1.558 175.293 176.870 -0.033 0.000 1.169 299 L CA -1.749 53.001 54.840 -0.150 0.000 0.836 299 L CB -0.053 41.809 42.059 -0.329 0.000 1.112 299 L HN 0.250 nan 8.230 nan 0.000 0.465 300 P HA 0.320 nan 4.420 nan 0.000 0.277 300 P C -2.651 174.678 177.300 0.049 0.000 1.271 300 P CA -2.024 61.091 63.100 0.026 0.000 0.795 300 P CB -0.266 31.442 31.700 0.014 0.000 1.101 301 P HA 0.058 nan 4.420 nan 0.000 0.266 301 P C -1.833 175.361 177.300 -0.177 0.000 1.195 301 P CA -0.611 62.446 63.100 -0.072 0.000 0.768 301 P CB -0.676 30.994 31.700 -0.050 0.000 0.838 302 P HA 0.172 nan 4.420 nan 0.000 0.263 302 P C 0.169 177.190 177.300 -0.466 0.000 1.448 302 P CA 0.183 63.040 63.100 -0.404 0.000 0.983 302 P CB -0.005 31.458 31.700 -0.396 0.000 1.481 303 F N 0.575 120.468 119.950 -0.095 0.000 2.569 303 F HA 0.288 4.815 4.527 0.000 0.000 0.295 303 F C 1.635 177.435 175.800 -0.001 0.000 1.115 303 F CA -0.333 57.631 58.000 -0.060 0.000 1.450 303 F CB -1.085 37.780 39.000 -0.225 0.000 1.107 303 F HN -0.120 nan 8.300 nan 0.000 0.563 304 A N 0.450 123.336 122.820 0.110 0.000 2.540 304 A HA 0.391 4.711 4.320 0.000 0.000 0.239 304 A C 1.602 179.236 177.584 0.082 0.000 1.061 304 A CA 0.768 52.849 52.037 0.073 0.000 0.758 304 A CB -0.826 18.196 19.000 0.037 0.000 0.991 304 A HN 0.982 nan 8.150 nan 0.000 0.502 305 G N 1.572 110.416 108.800 0.073 0.000 2.176 305 G HA2 -0.189 3.771 3.960 0.000 0.000 0.253 305 G HA3 -0.189 3.771 3.960 0.000 0.000 0.253 305 G C -0.077 174.862 174.900 0.065 0.000 0.979 305 G CA 0.622 45.756 45.100 0.056 0.000 0.641 305 G HN 0.928 nan 8.290 nan 0.000 0.530 306 E N -0.034 120.249 120.200 0.138 0.000 2.336 306 E HA 0.496 4.846 4.350 0.000 0.000 0.267 306 E C -0.273 176.514 176.600 0.312 0.000 0.906 306 E CA -1.087 55.444 56.400 0.217 0.000 0.781 306 E CB 1.188 31.095 29.700 0.345 0.000 1.261 306 E HN 0.443 nan 8.360 nan 0.000 0.436 307 H N 0.939 120.304 119.070 0.492 0.000 2.757 307 H HA 0.226 4.782 4.556 0.000 0.000 0.370 307 H C -0.228 175.499 175.328 0.664 0.000 1.172 307 H CA 0.424 56.811 56.048 0.565 0.000 1.426 307 H CB 0.374 30.477 29.762 0.569 0.000 1.438 307 H HN 0.446 nan 8.280 nan 0.000 0.612 308 F N -1.380 118.799 119.950 0.382 0.000 2.643 308 F HA 0.356 4.883 4.527 0.000 0.000 0.314 308 F C 0.293 176.206 175.800 0.188 0.000 1.096 308 F CA -0.954 57.192 58.000 0.243 0.000 0.953 308 F CB 1.464 40.555 39.000 0.152 0.000 1.345 308 F HN 0.227 nan 8.300 nan 0.000 0.468 309 E N 0.025 120.261 120.200 0.059 0.000 2.132 309 E HA 0.059 4.409 4.350 0.000 0.000 0.193 309 E C -0.421 176.112 176.600 -0.111 0.000 0.951 309 E CA 0.680 57.062 56.400 -0.029 0.000 0.843 309 E CB 0.406 30.131 29.700 0.042 0.000 0.807 309 E HN 0.708 nan 8.360 nan 0.000 0.467 310 Q N 0.071 119.880 119.800 0.015 0.000 2.340 310 Q HA 0.521 4.861 4.340 0.000 0.000 0.276 310 Q C -1.731 174.434 176.000 0.275 0.000 1.048 310 Q CA -0.423 55.451 55.803 0.118 0.000 0.832 310 Q CB 2.245 31.094 28.738 0.186 0.000 1.373 310 Q HN 0.114 nan 8.270 nan 0.000 0.409 311 I N 2.589 123.293 120.570 0.225 0.000 2.447 311 I HA 0.435 4.605 4.170 0.000 0.000 0.287 311 I C -1.694 174.441 176.117 0.029 0.000 1.023 311 I CA -0.253 61.105 61.300 0.097 0.000 1.083 311 I CB 1.664 39.684 38.000 0.034 0.000 1.245 311 I HN 0.726 nan 8.210 nan 0.000 0.434 312 Q N 6.695 126.492 119.800 -0.006 0.000 2.304 312 Q HA 0.349 4.689 4.340 0.000 0.000 0.270 312 Q C -1.310 174.702 176.000 0.019 0.000 1.035 312 Q CA -0.673 55.182 55.803 0.088 0.000 0.781 312 Q CB 1.863 30.744 28.738 0.238 0.000 1.261 312 Q HN 0.742 nan 8.270 nan 0.000 0.444 313 E N 2.652 122.869 120.200 0.029 0.000 2.313 313 E HA 0.179 4.529 4.350 0.000 0.000 0.276 313 E C -1.528 175.152 176.600 0.132 0.000 1.031 313 E CA -0.235 56.198 56.400 0.056 0.000 0.857 313 E CB 0.710 30.540 29.700 0.218 0.000 1.040 313 E HN 0.628 nan 8.360 nan 0.000 0.408 314 H N 3.234 122.284 119.070 -0.033 0.000 3.128 314 H HA 0.129 4.685 4.556 0.000 0.000 0.336 314 H C -1.282 173.973 175.328 -0.122 0.000 1.026 314 H CA -0.403 55.515 56.048 -0.217 0.000 1.376 314 H CB 0.636 29.967 29.762 -0.719 0.000 1.882 314 H HN 0.579 nan 8.280 nan 0.000 0.479 315 D N 4.176 124.312 120.400 -0.441 0.000 2.751 315 D HA -0.156 4.484 4.640 0.000 0.000 0.233 315 D C 1.095 177.349 176.300 -0.077 0.000 1.149 315 D CA 2.240 56.081 54.000 -0.265 0.000 0.682 315 D CB -1.245 39.414 40.800 -0.235 0.000 1.068 315 D HN 1.211 nan 8.370 nan 0.000 0.429 316 G N -1.181 107.615 108.800 -0.006 0.000 2.160 316 G HA2 -0.291 3.669 3.960 0.000 0.000 0.251 316 G HA3 -0.291 3.669 3.960 0.000 0.000 0.251 316 G C 0.238 175.196 174.900 0.096 0.000 1.008 316 G CA 0.572 45.722 45.100 0.083 0.000 0.724 316 G HN 0.513 nan 8.290 nan 0.000 0.514 317 L N -0.694 120.549 121.223 0.034 0.000 2.354 317 L HA 0.748 5.088 4.340 0.000 0.000 0.269 317 L C 0.204 176.962 176.870 -0.188 0.000 1.005 317 L CA -1.173 53.599 54.840 -0.113 0.000 0.819 317 L CB 2.050 43.997 42.059 -0.186 0.000 1.311 317 L HN -0.011 nan 8.230 nan 0.000 0.423 318 L N 2.348 123.337 121.223 -0.390 0.000 2.316 318 L HA 0.435 4.775 4.340 0.000 0.000 0.280 318 L C -1.139 175.407 176.870 -0.540 0.000 1.006 318 L CA -0.461 54.104 54.840 -0.458 0.000 0.836 318 L CB 1.088 42.760 42.059 -0.646 0.000 1.221 318 L HN 0.397 nan 8.230 nan 0.000 0.418 319 Y N 3.919 123.944 120.300 -0.457 0.000 2.336 319 Y HA 0.350 4.900 4.550 0.000 0.000 0.335 319 Y C 0.333 175.957 175.900 -0.459 0.000 1.046 319 Y CA -0.519 57.183 58.100 -0.663 0.000 1.198 319 Y CB 1.071 38.873 38.460 -1.097 0.000 1.182 319 Y HN 0.305 nan 8.280 nan 0.000 0.502 320 I N 3.558 123.934 120.570 -0.324 0.000 2.362 320 I HA 0.384 4.554 4.170 0.000 0.000 0.289 320 I C 0.492 176.683 176.117 0.122 0.000 0.994 320 I CA -0.524 60.641 61.300 -0.226 0.000 1.158 320 I CB 1.090 38.583 38.000 -0.846 0.000 1.315 320 I HN 0.702 nan 8.210 nan 0.000 0.451 321 G N 3.344 112.349 108.800 0.341 0.000 2.416 321 G HA2 0.627 4.587 3.960 0.000 0.000 0.329 321 G HA3 0.627 4.587 3.960 0.000 0.000 0.329 321 G C -0.715 174.307 174.900 0.204 0.000 1.173 321 G CA -0.319 44.953 45.100 0.287 0.000 0.929 321 G HN 0.571 nan 8.290 nan 0.000 0.475 322 T N 0.393 115.032 114.554 0.141 0.000 2.843 322 T HA 0.446 4.796 4.350 0.000 0.000 0.302 322 T C 0.352 175.014 174.700 -0.064 0.000 1.232 322 T CA -0.635 61.552 62.100 0.146 0.000 1.009 322 T CB 1.345 70.445 68.868 0.387 0.000 1.254 322 T HN 0.233 nan 8.240 nan 0.000 0.504 323 L N 1.584 122.618 121.223 -0.315 0.000 2.693 323 L HA 0.405 4.745 4.340 0.000 0.000 0.235 323 L C 0.169 176.808 176.870 -0.386 0.000 1.127 323 L CA 0.035 54.608 54.840 -0.445 0.000 0.914 323 L CB 0.117 41.802 42.059 -0.625 0.000 1.193 323 L HN 0.536 nan 8.230 nan 0.000 0.502 324 F N -1.929 118.115 119.950 0.156 0.000 2.724 324 F HA 0.340 4.867 4.527 0.000 0.000 0.310 324 F C 0.769 176.448 175.800 -0.200 0.000 1.107 324 F CA -0.604 57.459 58.000 0.105 0.000 1.218 324 F CB -0.057 39.011 39.000 0.114 0.000 1.042 324 F HN -0.034 nan 8.300 nan 0.000 0.540 325 H N -1.555 117.408 119.070 -0.177 0.000 2.946 325 H HA 0.475 5.031 4.556 0.000 0.000 0.365 325 H C 0.615 175.541 175.328 -0.670 0.000 1.197 325 H CA -0.335 55.558 56.048 -0.259 0.000 1.131 325 H CB 2.041 31.776 29.762 -0.045 0.000 1.849 325 H HN -0.012 nan 8.280 nan 0.000 0.555 326 G N 0.374 109.048 108.800 -0.210 0.000 3.189 326 G HA2 0.079 4.039 3.960 0.000 0.000 0.225 326 G HA3 0.079 4.039 3.960 0.000 0.000 0.225 326 G C -0.174 174.722 174.900 -0.007 0.000 1.159 326 G CA 0.054 45.071 45.100 -0.138 0.000 0.763 326 G HN 0.279 nan 8.290 nan 0.000 0.549 327 S N -0.517 115.217 115.700 0.057 0.000 2.536 327 S HA 0.528 4.998 4.470 0.000 0.000 0.298 327 S C -0.311 174.388 174.600 0.165 0.000 1.083 327 S CA -0.474 57.787 58.200 0.102 0.000 0.995 327 S CB 2.576 65.824 63.200 0.080 0.000 1.058 327 S HN -0.029 nan 8.310 nan 0.000 0.488 328 V N 2.386 122.420 119.914 0.200 0.000 2.530 328 V HA 0.516 4.636 4.120 0.000 0.000 0.282 328 V C 0.914 177.081 176.094 0.123 0.000 1.048 328 V CA -0.232 62.203 62.300 0.226 0.000 0.997 328 V CB 0.935 32.931 31.823 0.288 0.000 0.987 328 V HN 0.966 nan 8.190 nan 0.000 0.477 329 G N 4.912 113.783 108.800 0.117 0.000 2.356 329 G HA2 0.717 4.677 3.960 0.000 0.000 0.322 329 G HA3 0.717 4.677 3.960 0.000 0.000 0.322 329 G C -0.895 173.831 174.900 -0.289 0.000 1.125 329 G CA -0.494 44.636 45.100 0.050 0.000 0.885 329 G HN 0.622 nan 8.290 nan 0.000 0.467 330 I N 2.132 122.515 120.570 -0.311 0.000 2.468 330 I HA 0.248 4.418 4.170 0.000 0.000 0.285 330 I C -0.484 175.419 176.117 -0.357 0.000 1.039 330 I CA -0.513 60.477 61.300 -0.516 0.000 1.074 330 I CB 2.046 39.666 38.000 -0.635 0.000 1.228 330 I HN 0.131 nan 8.210 nan 0.000 0.436 331 L N 6.523 127.518 121.223 -0.381 0.000 2.292 331 L HA 0.503 4.843 4.340 0.000 0.000 0.284 331 L C -0.275 176.462 176.870 -0.222 0.000 1.065 331 L CA -0.967 53.712 54.840 -0.269 0.000 0.806 331 L CB 1.502 43.383 42.059 -0.296 0.000 1.175 331 L HN 0.253 nan 8.230 nan 0.000 0.431 332 V N 3.464 123.303 119.914 -0.124 0.000 2.406 332 V HA 0.220 4.340 4.120 0.000 0.000 0.272 332 V C -0.184 175.938 176.094 0.047 0.000 1.043 332 V CA -0.380 61.888 62.300 -0.052 0.000 0.915 332 V CB 0.989 32.785 31.823 -0.046 0.000 0.988 332 V HN 0.422 nan 8.190 nan 0.000 0.466 333 Y N 0.000 120.249 120.300 -0.085 0.000 2.660 333 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 333 Y CA 0.000 58.071 58.100 -0.048 0.000 1.940 333 Y CB 0.000 38.435 38.460 -0.041 0.000 1.050 333 Y HN 0.000 nan 8.280 nan 0.000 0.758