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 3ed4_1_C DATA FIRST_RESID 42 DATA SEQUENCE QPNLVIIMAD DLGYGDLATY GHQIVKTPNI DRLAQEGVKF TDYYAPAPLS DATA SEQUENCE SPSRAGLLTG RMPFRTGIRS WIPSGKDVAL GRNELTIANL LKAQGYDTAM DATA SEQUENCE MGKLHLNAGG DRTDQPQAQD MGFDYSLANT AGFVTDATLD NAKERPRYGM DATA SEQUENCE VYPTGWLRNG QPTPRADKMS GEYVSSEVVN WLDNKXDSKP FFLYVAFTEV DATA SEQUENCE HSPLASPKKY LDMYSQYMSA YQKQHPDLFY GDWADKPWRG VGEYYANISY DATA SEQUENCE LDAQVGKVLD KIKAMGEEDN TIVIFTSDNG PVTREARKVY ELNLAGETDG DATA SEQUENCE LRGRKDNLWE GGIRVPAIIK YGKHLPQGMV SDTPVYGLDW MPTLAKMMNF DATA SEQUENCE KLPTDRTFDG ESLVPVLEQK ALKREKPLIF GIDMPFQDDP TDEWAIRDGD DATA SEQUENCE WKMIIDRNNK PKYLYNLKSD RYETLNLIGK KPDIEKQMYG KFLKYKTDID DATA SEQUENCE NDSLMKARGD KPEAVTWG 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 42 Q HA 0.000 nan 4.340 nan 0.000 0.214 42 Q C 0.000 175.990 176.000 -0.017 0.000 1.003 42 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 42 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 43 P HA 0.134 nan 4.420 nan 0.000 0.274 43 P C -0.808 176.494 177.300 0.004 0.000 1.231 43 P CA -0.277 62.816 63.100 -0.012 0.000 0.790 43 P CB 0.742 32.382 31.700 -0.101 0.000 0.951 44 N N 0.743 119.374 118.700 -0.115 0.000 2.374 44 N HA 0.460 5.200 4.740 -0.000 0.000 0.284 44 N C -0.412 175.044 175.510 -0.090 0.000 1.280 44 N CA -0.136 52.805 53.050 -0.180 0.000 0.963 44 N CB -0.251 37.809 38.487 -0.711 0.000 1.141 44 N HN 0.324 nan 8.380 nan 0.000 0.565 45 L N -0.503 120.702 121.223 -0.029 0.000 2.526 45 L HA 0.444 4.784 4.340 -0.000 0.000 0.263 45 L C -1.768 175.277 176.870 0.292 0.000 0.943 45 L CA -0.548 54.351 54.840 0.097 0.000 0.859 45 L CB 1.766 43.852 42.059 0.045 0.000 1.313 45 L HN 0.223 nan 8.230 nan 0.000 0.406 46 V N 6.380 126.429 119.914 0.225 0.000 2.380 46 V HA 0.487 4.607 4.120 -0.000 0.000 0.286 46 V C -0.047 176.165 176.094 0.197 0.000 1.015 46 V CA -0.390 62.062 62.300 0.254 0.000 0.834 46 V CB 1.473 33.438 31.823 0.236 0.000 1.009 46 V HN 0.595 nan 8.190 nan 0.000 0.428 47 I N 5.874 126.600 120.570 0.260 0.000 2.304 47 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 47 I C -0.291 175.903 176.117 0.128 0.000 1.018 47 I CA -0.141 61.273 61.300 0.191 0.000 1.260 47 I CB 1.159 39.346 38.000 0.312 0.000 1.390 47 I HN 0.444 nan 8.210 nan 0.000 0.475 48 I N 7.205 127.830 120.570 0.092 0.000 2.312 48 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 48 I C -0.251 175.847 176.117 -0.031 0.000 1.008 48 I CA -0.501 60.850 61.300 0.085 0.000 1.226 48 I CB 1.510 39.727 38.000 0.363 0.000 1.371 48 I HN 0.528 nan 8.210 nan 0.000 0.468 49 M N 7.110 126.656 119.600 -0.090 0.000 2.072 49 M HA 0.582 5.061 4.480 -0.000 0.000 0.331 49 M C -0.330 175.948 176.300 -0.037 0.000 1.004 49 M CA -0.139 55.104 55.300 -0.094 0.000 0.952 49 M CB 1.202 33.788 32.600 -0.023 0.000 1.511 49 M HN 0.627 nan 8.290 nan 0.000 0.422 50 A N 2.867 125.624 122.820 -0.104 0.000 2.287 50 A HA 0.540 4.860 4.320 -0.000 0.000 0.273 50 A C -0.702 176.917 177.584 0.058 0.000 1.091 50 A CA -0.442 51.610 52.037 0.025 0.000 0.817 50 A CB 0.354 19.339 19.000 -0.026 0.000 1.069 50 A HN 0.734 nan 8.150 nan 0.000 0.492 51 D N 0.261 120.731 120.400 0.116 0.000 2.425 51 D HA 0.409 5.049 4.640 -0.000 0.000 0.240 51 D C -0.838 175.577 176.300 0.192 0.000 1.080 51 D CA 0.214 54.317 54.000 0.171 0.000 0.836 51 D CB 0.708 41.630 40.800 0.203 0.000 1.125 51 D HN 0.478 nan 8.370 nan 0.000 0.525 52 D N 1.567 122.083 120.400 0.194 0.000 2.945 52 D HA -0.222 4.418 4.640 -0.000 0.000 0.225 52 D C -0.145 176.258 176.300 0.172 0.000 1.158 52 D CA 0.338 54.444 54.000 0.177 0.000 0.805 52 D CB -1.304 39.583 40.800 0.145 0.000 1.098 52 D HN 0.318 nan 8.370 nan 0.000 0.426 53 L N 0.762 122.067 121.223 0.137 0.000 2.313 53 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 53 L C 1.209 178.158 176.870 0.131 0.000 1.092 53 L CA 0.224 55.137 54.840 0.122 0.000 0.831 53 L CB 0.915 43.020 42.059 0.076 0.000 1.159 53 L HN 0.076 nan 8.230 nan 0.000 0.442 54 G N 2.941 111.844 108.800 0.171 0.000 2.539 54 G HA2 0.006 3.966 3.960 -0.000 0.000 0.258 54 G HA3 0.006 3.966 3.960 -0.000 0.000 0.258 54 G C 0.214 175.196 174.900 0.136 0.000 1.202 54 G CA -0.206 45.001 45.100 0.179 0.000 0.851 54 G HN 0.762 nan 8.290 nan 0.000 0.556 55 Y N 0.877 121.197 120.300 0.033 0.000 2.207 55 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 55 Y C 2.332 178.257 175.900 0.042 0.000 1.156 55 Y CA 2.217 60.306 58.100 -0.019 0.000 1.182 55 Y CB 0.087 38.571 38.460 0.039 0.000 0.979 55 Y HN 0.437 nan 8.280 nan 0.000 0.521 56 G N -1.328 107.542 108.800 0.116 0.000 3.523 56 G HA2 0.033 3.993 3.960 -0.000 0.000 0.270 56 G HA3 0.033 3.993 3.960 -0.000 0.000 0.270 56 G C 0.549 175.581 174.900 0.220 0.000 1.134 56 G CA 0.126 45.295 45.100 0.115 0.000 0.825 56 G HN 0.235 nan 8.290 nan 0.000 0.534 57 D N 0.351 120.852 120.400 0.168 0.000 2.349 57 D HA 0.143 4.782 4.640 -0.000 0.000 0.215 57 D C 0.860 177.170 176.300 0.017 0.000 1.016 57 D CA 0.248 54.358 54.000 0.183 0.000 0.870 57 D CB 0.594 41.496 40.800 0.171 0.000 0.917 57 D HN 0.271 nan 8.370 nan 0.000 0.524 58 L N -0.171 121.092 121.223 0.066 0.000 2.334 58 L HA 0.464 4.804 4.340 -0.000 0.000 0.276 58 L C 1.418 178.363 176.870 0.125 0.000 1.014 58 L CA -0.822 54.058 54.840 0.067 0.000 0.815 58 L CB 1.960 44.107 42.059 0.146 0.000 1.268 58 L HN -0.253 nan 8.230 nan 0.000 0.428 59 A N 0.842 123.698 122.820 0.059 0.000 1.972 59 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 59 A C 2.086 179.706 177.584 0.061 0.000 1.169 59 A CA 2.365 54.444 52.037 0.070 0.000 0.635 59 A CB -0.515 18.504 19.000 0.031 0.000 0.810 59 A HN 0.836 nan 8.150 nan 0.000 0.446 60 T N -2.618 111.972 114.554 0.060 0.000 3.035 60 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 60 T C 0.923 175.558 174.700 -0.108 0.000 1.109 60 T CA 0.986 63.078 62.100 -0.014 0.000 1.119 60 T CB -0.368 68.485 68.868 -0.025 0.000 0.900 60 T HN 0.537 nan 8.240 nan 0.000 0.503 61 Y N -0.032 120.235 120.300 -0.054 0.000 2.524 61 Y HA 0.435 4.985 4.550 -0.000 0.000 0.266 61 Y C 1.744 177.584 175.900 -0.101 0.000 1.180 61 Y CA -0.063 57.955 58.100 -0.136 0.000 1.244 61 Y CB 0.570 38.887 38.460 -0.238 0.000 1.125 61 Y HN 0.311 nan 8.280 nan 0.000 0.524 62 G N -1.023 107.819 108.800 0.071 0.000 2.192 62 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.193 62 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.193 62 G C 0.015 174.955 174.900 0.066 0.000 0.999 62 G CA -0.358 44.773 45.100 0.051 0.000 0.659 62 G HN 0.393 nan 8.290 nan 0.000 0.503 63 H N 1.245 120.319 119.070 0.006 0.000 2.929 63 H HA 0.301 4.857 4.556 -0.000 0.000 0.317 63 H C 1.360 176.654 175.328 -0.057 0.000 1.031 63 H CA 0.970 56.998 56.048 -0.033 0.000 1.466 63 H CB 0.822 30.550 29.762 -0.057 0.000 1.482 63 H HN 0.432 nan 8.280 nan 0.000 0.561 64 Q N 3.825 123.560 119.800 -0.108 0.000 2.425 64 Q HA 0.127 4.467 4.340 -0.000 0.000 0.204 64 Q C 1.306 177.319 176.000 0.023 0.000 0.933 64 Q CA 0.575 56.360 55.803 -0.030 0.000 0.939 64 Q CB 0.821 29.517 28.738 -0.069 0.000 1.044 64 Q HN 0.694 nan 8.270 nan 0.000 0.513 65 I N -1.821 118.797 120.570 0.080 0.000 3.673 65 I HA 0.063 4.233 4.170 -0.000 0.000 0.281 65 I C 0.495 176.622 176.117 0.016 0.000 1.182 65 I CA -0.120 61.166 61.300 -0.023 0.000 1.391 65 I CB 0.685 38.439 38.000 -0.411 0.000 1.383 65 I HN -0.110 nan 8.210 nan 0.000 0.456 66 V N 3.502 123.320 119.914 -0.161 0.000 2.740 66 V HA 0.085 4.205 4.120 -0.000 0.000 0.303 66 V C -0.021 176.070 176.094 -0.004 0.000 1.054 66 V CA -0.000 62.139 62.300 -0.268 0.000 1.106 66 V CB 0.654 31.991 31.823 -0.810 0.000 0.957 66 V HN 0.096 nan 8.190 nan 0.000 0.486 67 K N 4.445 124.929 120.400 0.139 0.000 2.253 67 K HA 0.345 4.664 4.320 -0.000 0.000 0.277 67 K C 0.106 176.733 176.600 0.046 0.000 1.053 67 K CA -0.093 56.246 56.287 0.086 0.000 0.892 67 K CB 1.173 33.731 32.500 0.096 0.000 1.102 67 K HN 0.850 nan 8.250 nan 0.000 0.469 68 T N -0.331 114.223 114.554 0.000 0.000 3.514 68 T HA 0.217 4.567 4.350 -0.000 0.000 0.259 68 T C -1.630 173.048 174.700 -0.036 0.000 1.466 68 T CA -1.478 60.602 62.100 -0.032 0.000 1.562 68 T CB 0.740 69.571 68.868 -0.061 0.000 0.924 68 T HN 0.156 nan 8.240 nan 0.000 0.678 69 P HA -0.119 nan 4.420 nan 0.000 0.215 69 P C 1.327 178.605 177.300 -0.037 0.000 1.153 69 P CA 1.108 64.198 63.100 -0.017 0.000 0.853 69 P CB 0.197 31.897 31.700 0.000 0.000 0.788 70 N N 0.064 118.732 118.700 -0.054 0.000 2.120 70 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 70 N C 2.008 177.446 175.510 -0.121 0.000 1.024 70 N CA 1.139 54.144 53.050 -0.074 0.000 0.852 70 N CB -0.517 37.921 38.487 -0.081 0.000 1.003 70 N HN 0.252 nan 8.380 nan 0.000 0.424 71 I N 1.127 121.587 120.570 -0.182 0.000 2.500 71 I HA -0.154 4.016 4.170 -0.000 0.000 0.252 71 I C 1.440 177.480 176.117 -0.128 0.000 1.142 71 I CA 0.734 61.875 61.300 -0.265 0.000 1.451 71 I CB -0.138 37.601 38.000 -0.435 0.000 1.093 71 I HN -0.097 nan 8.210 nan 0.000 0.430 72 D N 0.817 121.172 120.400 -0.074 0.000 2.117 72 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 72 D C 2.199 178.479 176.300 -0.033 0.000 0.987 72 D CA 1.091 55.069 54.000 -0.037 0.000 0.829 72 D CB -0.210 40.575 40.800 -0.024 0.000 0.961 72 D HN 0.121 nan 8.370 nan 0.000 0.460 73 R N 0.625 121.104 120.500 -0.035 0.000 2.075 73 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 73 R C 2.098 178.389 176.300 -0.015 0.000 1.126 73 R CA 0.746 56.833 56.100 -0.021 0.000 0.963 73 R CB -0.902 29.388 30.300 -0.017 0.000 0.858 73 R HN 0.167 nan 8.270 nan 0.000 0.435 74 L N 0.243 121.448 121.223 -0.029 0.000 2.083 74 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 74 L C 2.112 178.991 176.870 0.015 0.000 1.083 74 L CA 2.139 56.974 54.840 -0.009 0.000 0.752 74 L CB -0.838 41.195 42.059 -0.044 0.000 0.899 74 L HN 0.288 nan 8.230 nan 0.000 0.433 75 A N -1.209 121.613 122.820 0.004 0.000 1.902 75 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 75 A C 2.326 179.906 177.584 -0.007 0.000 1.181 75 A CA 1.809 53.853 52.037 0.012 0.000 0.623 75 A CB -0.697 18.300 19.000 -0.004 0.000 0.818 75 A HN 0.640 nan 8.150 nan 0.000 0.443 76 Q N -0.451 119.341 119.800 -0.012 0.000 2.119 76 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 76 Q C 1.423 177.422 176.000 -0.001 0.000 0.972 76 Q CA 1.657 57.452 55.803 -0.013 0.000 0.847 76 Q CB -0.078 28.652 28.738 -0.013 0.000 0.903 76 Q HN 0.787 nan 8.270 nan 0.000 0.433 77 E N -0.854 119.353 120.200 0.011 0.000 2.489 77 E HA 0.097 4.447 4.350 -0.000 0.000 0.193 77 E C 0.314 176.939 176.600 0.041 0.000 1.057 77 E CA 0.181 56.596 56.400 0.025 0.000 0.866 77 E CB 0.783 30.502 29.700 0.032 0.000 0.916 77 E HN 0.355 nan 8.360 nan 0.000 0.500 78 G N -0.197 108.626 108.800 0.038 0.000 2.947 78 G HA2 0.399 4.359 3.960 -0.000 0.000 0.293 78 G HA3 0.399 4.359 3.960 -0.000 0.000 0.293 78 G C -1.203 173.707 174.900 0.016 0.000 1.243 78 G CA -0.589 44.544 45.100 0.055 0.000 0.802 78 G HN -0.050 nan 8.290 nan 0.000 0.560 79 V N 1.053 120.974 119.914 0.010 0.000 2.370 79 V HA 0.463 4.583 4.120 -0.000 0.000 0.279 79 V C 0.075 176.083 176.094 -0.143 0.000 1.029 79 V CA -0.619 61.608 62.300 -0.123 0.000 0.870 79 V CB 1.210 32.904 31.823 -0.216 0.000 0.984 79 V HN 0.636 nan 8.190 nan 0.000 0.451 80 K N 4.563 124.865 120.400 -0.164 0.000 2.234 80 K HA 0.514 4.834 4.320 -0.000 0.000 0.277 80 K C -1.211 175.312 176.600 -0.127 0.000 1.038 80 K CA -0.449 55.803 56.287 -0.058 0.000 0.888 80 K CB 0.640 33.081 32.500 -0.098 0.000 1.091 80 K HN 0.449 nan 8.250 nan 0.000 0.467 81 F N 2.017 122.097 119.950 0.216 0.000 2.394 81 F HA 0.141 4.668 4.527 -0.000 0.000 0.340 81 F C 1.623 177.617 175.800 0.323 0.000 1.105 81 F CA -0.299 57.847 58.000 0.243 0.000 1.124 81 F CB 1.850 41.020 39.000 0.284 0.000 1.145 81 F HN 0.657 nan 8.300 nan 0.000 0.505 82 T N -3.410 111.394 114.554 0.418 0.000 3.022 82 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 82 T C 0.264 175.185 174.700 0.369 0.000 1.060 82 T CA 0.176 62.541 62.100 0.441 0.000 1.013 82 T CB -0.155 68.866 68.868 0.255 0.000 0.982 82 T HN 0.434 nan 8.240 nan 0.000 0.508 83 D N 0.673 121.229 120.400 0.259 0.000 2.804 83 D HA 0.264 4.904 4.640 -0.000 0.000 0.308 83 D C -1.128 175.122 176.300 -0.083 0.000 1.371 83 D CA -0.550 53.452 54.000 0.003 0.000 0.823 83 D CB 0.167 41.021 40.800 0.089 0.000 1.126 83 D HN 0.472 nan 8.370 nan 0.000 0.467 84 Y N 0.829 121.064 120.300 -0.108 0.000 2.310 84 Y HA 0.445 4.995 4.550 -0.000 0.000 0.326 84 Y C -1.146 174.588 175.900 -0.276 0.000 1.151 84 Y CA -0.510 57.530 58.100 -0.098 0.000 1.195 84 Y CB 0.418 38.914 38.460 0.061 0.000 1.210 84 Y HN -0.064 nan 8.280 nan 0.000 0.483 85 Y N 3.589 123.521 120.300 -0.613 0.000 2.446 85 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 85 Y C 0.211 175.818 175.900 -0.488 0.000 0.984 85 Y CA -1.037 56.855 58.100 -0.346 0.000 1.058 85 Y CB 1.525 39.982 38.460 -0.005 0.000 1.220 85 Y HN 0.814 nan 8.280 nan 0.000 0.455 86 A N 3.400 126.258 122.820 0.063 0.000 2.425 86 A HA 0.293 4.613 4.320 -0.000 0.000 0.242 86 A C -1.856 175.903 177.584 0.292 0.000 1.077 86 A CA -1.158 50.978 52.037 0.165 0.000 0.781 86 A CB -0.036 19.084 19.000 0.199 0.000 1.020 86 A HN 0.655 nan 8.150 nan 0.000 0.494 87 P HA 0.108 nan 4.420 nan 0.000 0.226 87 P C 0.022 177.459 177.300 0.229 0.000 1.153 87 P CA 1.795 65.008 63.100 0.188 0.000 0.777 87 P CB 0.198 31.894 31.700 -0.007 0.000 0.794 88 A N -1.294 121.637 122.820 0.186 0.000 2.594 88 A HA 0.520 4.840 4.320 -0.000 0.000 0.296 88 A C -2.714 174.932 177.584 0.103 0.000 1.061 88 A CA -1.103 51.003 52.037 0.114 0.000 0.689 88 A CB 0.700 19.736 19.000 0.060 0.000 1.280 88 A HN -0.246 nan 8.150 nan 0.000 0.406 89 P HA 0.305 nan 4.420 nan 0.000 0.253 89 P C -0.518 176.847 177.300 0.107 0.000 1.508 89 P CA 0.425 63.570 63.100 0.074 0.000 0.883 89 P CB -0.165 31.555 31.700 0.033 0.000 1.519 90 L N -1.443 119.854 121.223 0.123 0.000 2.415 90 L HA 0.282 4.622 4.340 -0.000 0.000 0.256 90 L C 1.446 178.428 176.870 0.186 0.000 1.010 90 L CA -0.624 54.319 54.840 0.171 0.000 0.826 90 L CB 2.002 44.157 42.059 0.161 0.000 1.405 90 L HN -0.310 nan 8.230 nan 0.000 0.410 91 S N 0.046 115.898 115.700 0.253 0.000 2.378 91 S HA -0.191 4.279 4.470 -0.000 0.000 0.221 91 S C 1.811 176.515 174.600 0.173 0.000 1.037 91 S CA 2.082 60.445 58.200 0.271 0.000 1.069 91 S CB -0.153 63.314 63.200 0.446 0.000 1.006 91 S HN 0.734 nan 8.310 nan 0.000 0.423 92 S N 2.390 118.128 115.700 0.064 0.000 2.353 92 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 92 S C -0.513 174.091 174.600 0.006 0.000 1.035 92 S CA 1.682 59.823 58.200 -0.098 0.000 1.025 92 S CB -1.513 61.495 63.200 -0.320 0.000 0.902 92 S HN 0.507 nan 8.310 nan 0.000 0.440 93 P HA -0.019 nan 4.420 nan 0.000 0.218 93 P C 1.564 178.903 177.300 0.065 0.000 1.149 93 P CA 1.094 64.231 63.100 0.061 0.000 0.817 93 P CB -0.118 31.633 31.700 0.085 0.000 0.785 94 S N -0.183 115.571 115.700 0.091 0.000 2.356 94 S HA -0.129 4.340 4.470 -0.000 0.000 0.223 94 S C 2.123 176.794 174.600 0.118 0.000 1.032 94 S CA 1.098 59.365 58.200 0.112 0.000 1.005 94 S CB -0.513 62.776 63.200 0.148 0.000 0.867 94 S HN 0.023 nan 8.310 nan 0.000 0.449 95 R N 0.777 121.352 120.500 0.125 0.000 2.081 95 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 95 R C 2.649 178.998 176.300 0.082 0.000 1.131 95 R CA 1.299 57.479 56.100 0.134 0.000 0.960 95 R CB -0.606 29.791 30.300 0.162 0.000 0.856 95 R HN 0.470 nan 8.270 nan 0.000 0.436 96 A N 0.830 123.685 122.820 0.058 0.000 1.908 96 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 96 A C 2.402 180.004 177.584 0.030 0.000 1.181 96 A CA 1.869 53.928 52.037 0.036 0.000 0.627 96 A CB -1.290 17.727 19.000 0.029 0.000 0.818 96 A HN 0.477 nan 8.150 nan 0.000 0.445 97 G N -0.327 108.490 108.800 0.028 0.000 2.433 97 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 97 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 97 G C 1.616 176.528 174.900 0.021 0.000 1.186 97 G CA 1.066 46.166 45.100 -0.000 0.000 0.779 97 G HN 0.496 nan 8.290 nan 0.000 0.543 98 L N -0.024 121.243 121.223 0.074 0.000 2.017 98 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 98 L C 2.734 179.666 176.870 0.104 0.000 1.073 98 L CA 1.065 55.993 54.840 0.147 0.000 0.745 98 L CB -0.136 42.059 42.059 0.227 0.000 0.894 98 L HN 0.192 nan 8.230 nan 0.000 0.432 99 L N -0.918 120.330 121.223 0.042 0.000 2.291 99 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 99 L C 2.204 179.086 176.870 0.020 0.000 1.120 99 L CA 1.439 56.275 54.840 -0.007 0.000 0.799 99 L CB -0.599 41.427 42.059 -0.056 0.000 0.925 99 L HN 0.502 nan 8.230 nan 0.000 0.446 100 T N -5.609 108.974 114.554 0.048 0.000 2.971 100 T HA 0.241 4.591 4.350 -0.000 0.000 0.252 100 T C 1.487 176.294 174.700 0.179 0.000 1.022 100 T CA 0.448 62.595 62.100 0.078 0.000 0.980 100 T CB 0.780 69.661 68.868 0.021 0.000 1.044 100 T HN 0.308 nan 8.240 nan 0.000 0.501 101 G N 1.826 110.712 108.800 0.142 0.000 2.155 101 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 101 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 101 G C 0.023 175.005 174.900 0.136 0.000 0.983 101 G CA 0.170 45.379 45.100 0.181 0.000 0.676 101 G HN 0.720 nan 8.290 nan 0.000 0.528 102 R N -0.632 119.881 120.500 0.022 0.000 2.599 102 R HA 0.551 4.891 4.340 -0.000 0.000 0.295 102 R C 0.676 176.943 176.300 -0.054 0.000 0.963 102 R CA -1.109 54.964 56.100 -0.044 0.000 0.883 102 R CB 1.089 31.321 30.300 -0.113 0.000 1.171 102 R HN 0.202 nan 8.270 nan 0.000 0.450 103 M N 5.667 125.232 119.600 -0.059 0.000 2.286 103 M HA -0.003 4.476 4.480 -0.000 0.000 0.365 103 M C -1.470 174.797 176.300 -0.055 0.000 1.443 103 M CA -1.043 54.197 55.300 -0.100 0.000 0.951 103 M CB 0.659 33.194 32.600 -0.107 0.000 1.961 103 M HN 0.460 nan 8.290 nan 0.000 0.468 104 P HA -0.189 nan 4.420 nan 0.000 0.217 104 P C 1.234 178.654 177.300 0.202 0.000 1.148 104 P CA 1.588 64.721 63.100 0.055 0.000 0.828 104 P CB -0.243 31.497 31.700 0.065 0.000 0.783 105 F N 0.987 120.897 119.950 -0.066 0.000 2.161 105 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 105 F C 2.501 178.297 175.800 -0.008 0.000 1.089 105 F CA 0.616 58.586 58.000 -0.050 0.000 1.282 105 F CB -1.590 37.375 39.000 -0.059 0.000 1.010 105 F HN -0.070 nan 8.300 nan 0.000 0.485 106 R N -0.440 120.172 120.500 0.187 0.000 2.170 106 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 106 R C 1.972 178.299 176.300 0.044 0.000 1.145 106 R CA 1.841 57.994 56.100 0.087 0.000 0.984 106 R CB -0.928 29.392 30.300 0.033 0.000 0.869 106 R HN 0.409 nan 8.270 nan 0.000 0.455 107 T N -3.527 111.056 114.554 0.048 0.000 3.107 107 T HA 0.207 4.557 4.350 -0.000 0.000 0.249 107 T C 1.283 175.999 174.700 0.027 0.000 1.096 107 T CA 0.502 62.615 62.100 0.021 0.000 1.012 107 T CB 0.823 69.699 68.868 0.013 0.000 0.977 107 T HN 0.395 nan 8.240 nan 0.000 0.527 108 G N 1.196 110.022 108.800 0.044 0.000 2.157 108 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.248 108 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.248 108 G C -0.076 174.841 174.900 0.027 0.000 0.979 108 G CA 0.038 45.154 45.100 0.027 0.000 0.650 108 G HN 0.645 nan 8.290 nan 0.000 0.529 109 I N 0.213 120.810 120.570 0.045 0.000 2.355 109 I HA 0.460 4.630 4.170 -0.000 0.000 0.288 109 I C 1.225 177.379 176.117 0.061 0.000 0.999 109 I CA -0.870 60.456 61.300 0.043 0.000 1.163 109 I CB 1.518 39.536 38.000 0.031 0.000 1.316 109 I HN 0.056 nan 8.210 nan 0.000 0.454 110 R N 2.756 123.228 120.500 -0.047 0.000 2.287 110 R HA 0.215 4.555 4.340 -0.000 0.000 0.197 110 R C 0.769 176.990 176.300 -0.131 0.000 0.900 110 R CA 0.402 56.379 56.100 -0.205 0.000 1.052 110 R CB 0.614 30.495 30.300 -0.700 0.000 1.117 110 R HN 0.771 nan 8.270 nan 0.000 0.568 111 S N -0.714 114.895 115.700 -0.153 0.000 4.247 111 S HA 0.147 4.617 4.470 -0.000 0.000 0.246 111 S C -1.234 173.348 174.600 -0.030 0.000 1.061 111 S CA -0.958 57.111 58.200 -0.219 0.000 1.277 111 S CB -0.304 62.507 63.200 -0.647 0.000 1.801 111 S HN 0.301 nan 8.310 nan 0.000 0.614 112 W N 1.921 123.330 121.300 0.183 0.000 2.150 112 W HA 0.750 5.410 4.660 -0.000 0.000 0.341 112 W C -0.504 176.152 176.519 0.229 0.000 1.276 112 W CA -1.315 56.162 57.345 0.220 0.000 1.238 112 W CB -0.366 29.257 29.460 0.272 0.000 1.128 112 W HN 0.456 nan 8.180 nan 0.000 0.581 113 I N 4.863 125.686 120.570 0.422 0.000 2.359 113 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 113 I C -1.825 174.442 176.117 0.250 0.000 1.018 113 I CA -2.084 59.361 61.300 0.243 0.000 1.173 113 I CB 0.856 38.891 38.000 0.059 0.000 1.326 113 I HN 0.158 nan 8.210 nan 0.000 0.462 114 P HA 0.255 nan 4.420 nan 0.000 0.286 114 P C -0.383 176.921 177.300 0.006 0.000 1.261 114 P CA -0.448 62.706 63.100 0.091 0.000 0.821 114 P CB 1.192 32.941 31.700 0.083 0.000 1.013 115 S N 0.704 116.412 115.700 0.014 0.000 2.568 115 S HA 0.331 4.801 4.470 -0.000 0.000 0.282 115 S C 1.591 176.170 174.600 -0.034 0.000 1.338 115 S CA 1.093 59.287 58.200 -0.009 0.000 1.045 115 S CB -0.475 62.725 63.200 -0.000 0.000 0.873 115 S HN 0.929 nan 8.310 nan 0.000 0.516 116 G N 1.657 110.432 108.800 -0.041 0.000 2.189 116 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 116 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 116 G C 0.022 174.877 174.900 -0.075 0.000 0.975 116 G CA 0.349 45.421 45.100 -0.047 0.000 0.644 116 G HN 0.518 nan 8.290 nan 0.000 0.537 117 K N 0.426 120.758 120.400 -0.114 0.000 2.139 117 K HA 0.441 4.761 4.320 -0.000 0.000 0.243 117 K C 0.009 176.497 176.600 -0.188 0.000 0.983 117 K CA -0.789 55.385 56.287 -0.188 0.000 0.890 117 K CB 0.749 33.055 32.500 -0.323 0.000 1.090 117 K HN 0.008 nan 8.250 nan 0.000 0.445 118 D N 1.017 121.287 120.400 -0.217 0.000 2.519 118 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 118 D C -0.199 176.000 176.300 -0.168 0.000 1.192 118 D CA 0.126 54.031 54.000 -0.158 0.000 0.835 118 D CB 0.063 40.792 40.800 -0.118 0.000 0.975 118 D HN 0.025 nan 8.370 nan 0.000 0.490 119 V N 0.846 120.635 119.914 -0.210 0.000 2.432 119 V HA 0.693 4.813 4.120 -0.000 0.000 0.275 119 V C 0.445 176.494 176.094 -0.075 0.000 1.043 119 V CA -0.421 61.795 62.300 -0.140 0.000 0.925 119 V CB 1.183 32.915 31.823 -0.152 0.000 0.985 119 V HN 0.246 nan 8.190 nan 0.000 0.466 120 A N 4.175 126.968 122.820 -0.045 0.000 2.586 120 A HA 0.711 5.031 4.320 -0.000 0.000 0.290 120 A C -1.159 176.414 177.584 -0.018 0.000 1.086 120 A CA -0.800 51.218 52.037 -0.031 0.000 0.665 120 A CB 0.965 19.946 19.000 -0.032 0.000 1.279 120 A HN 0.788 nan 8.150 nan 0.000 0.423 121 L N 1.570 122.786 121.223 -0.012 0.000 2.525 121 L HA 0.458 4.797 4.340 -0.000 0.000 0.278 121 L C 1.161 178.026 176.870 -0.008 0.000 1.218 121 L CA 1.269 56.106 54.840 -0.005 0.000 0.878 121 L CB 0.384 42.444 42.059 0.001 0.000 1.127 121 L HN 1.086 nan 8.230 nan 0.000 0.492 122 G N 4.269 113.065 108.800 -0.008 0.000 2.353 122 G HA2 0.004 3.964 3.960 -0.000 0.000 0.239 122 G HA3 0.004 3.964 3.960 -0.000 0.000 0.239 122 G C 0.821 175.712 174.900 -0.014 0.000 1.295 122 G CA -0.446 44.647 45.100 -0.011 0.000 0.884 122 G HN 0.770 nan 8.290 nan 0.000 0.537 123 R N 1.532 122.023 120.500 -0.015 0.000 2.159 123 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 123 R C 1.724 178.014 176.300 -0.017 0.000 1.131 123 R CA 1.486 57.577 56.100 -0.015 0.000 0.982 123 R CB -0.094 30.197 30.300 -0.014 0.000 0.868 123 R HN 0.785 nan 8.270 nan 0.000 0.453 124 N N 0.630 119.319 118.700 -0.019 0.000 2.268 124 N HA -0.030 4.710 4.740 -0.000 0.000 0.204 124 N C -0.303 175.190 175.510 -0.029 0.000 1.124 124 N CA 0.041 53.077 53.050 -0.022 0.000 0.838 124 N CB 0.116 38.590 38.487 -0.022 0.000 0.994 124 N HN -0.065 nan 8.380 nan 0.000 0.489 125 E N 0.896 121.079 120.200 -0.029 0.000 2.338 125 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 125 E C -0.279 176.303 176.600 -0.030 0.000 1.029 125 E CA -0.238 56.142 56.400 -0.034 0.000 0.872 125 E CB 1.684 31.367 29.700 -0.028 0.000 1.015 125 E HN 0.290 nan 8.360 nan 0.000 0.417 126 L N 2.584 123.792 121.223 -0.025 0.000 2.296 126 L HA 0.244 4.583 4.340 -0.000 0.000 0.286 126 L C 0.926 177.782 176.870 -0.022 0.000 1.023 126 L CA -0.626 54.198 54.840 -0.025 0.000 0.812 126 L CB 1.481 43.537 42.059 -0.005 0.000 1.223 126 L HN 0.551 nan 8.230 nan 0.000 0.421 127 T N -1.084 113.429 114.554 -0.069 0.000 2.810 127 T HA 0.390 4.739 4.350 -0.000 0.000 0.277 127 T C 1.389 175.998 174.700 -0.152 0.000 0.973 127 T CA -0.624 61.425 62.100 -0.086 0.000 0.949 127 T CB 1.005 69.807 68.868 -0.109 0.000 1.075 127 T HN 0.409 nan 8.240 nan 0.000 0.537 128 I N 0.743 121.206 120.570 -0.177 0.000 2.264 128 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 128 I C 3.006 178.825 176.117 -0.496 0.000 1.111 128 I CA 1.629 62.720 61.300 -0.347 0.000 1.382 128 I CB -0.838 36.921 38.000 -0.401 0.000 1.060 128 I HN 0.839 nan 8.210 nan 0.000 0.418 129 A N 1.032 123.645 122.820 -0.345 0.000 1.930 129 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 129 A C 2.026 179.389 177.584 -0.368 0.000 1.175 129 A CA 2.134 53.942 52.037 -0.382 0.000 0.627 129 A CB -0.976 17.373 19.000 -1.086 0.000 0.815 129 A HN 0.477 nan 8.150 nan 0.000 0.443 130 N N 0.077 118.585 118.700 -0.321 0.000 2.043 130 N HA -0.143 4.597 4.740 -0.000 0.000 0.193 130 N C 1.587 176.949 175.510 -0.246 0.000 1.037 130 N CA 1.746 54.661 53.050 -0.225 0.000 0.851 130 N CB -0.355 38.037 38.487 -0.158 0.000 1.027 130 N HN 0.450 nan 8.380 nan 0.000 0.422 131 L N 0.440 121.464 121.223 -0.331 0.000 2.093 131 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 131 L C 2.043 178.556 176.870 -0.594 0.000 1.085 131 L CA 0.766 55.346 54.840 -0.432 0.000 0.755 131 L CB -0.386 41.357 42.059 -0.527 0.000 0.904 131 L HN 0.247 nan 8.230 nan 0.000 0.435 132 L N -0.267 120.538 121.223 -0.696 0.000 2.109 132 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 132 L C 2.715 179.419 176.870 -0.277 0.000 1.086 132 L CA 0.954 55.341 54.840 -0.756 0.000 0.760 132 L CB -0.433 41.020 42.059 -1.009 0.000 0.910 132 L HN 0.248 nan 8.230 nan 0.000 0.437 133 K N 0.753 121.056 120.400 -0.161 0.000 2.063 133 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 133 K C 1.992 178.590 176.600 -0.002 0.000 1.048 133 K CA 1.593 57.871 56.287 -0.016 0.000 0.928 133 K CB -0.049 32.425 32.500 -0.043 0.000 0.713 133 K HN 0.289 nan 8.250 nan 0.000 0.442 134 A N 0.586 123.365 122.820 -0.068 0.000 2.066 134 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 134 A C 1.757 179.337 177.584 -0.006 0.000 1.157 134 A CA 0.886 52.898 52.037 -0.041 0.000 0.670 134 A CB -0.109 18.849 19.000 -0.070 0.000 0.804 134 A HN 0.332 nan 8.150 nan 0.000 0.453 135 Q N -1.310 118.490 119.800 -0.001 0.000 2.425 135 Q HA 0.142 4.482 4.340 -0.000 0.000 0.204 135 Q C 0.980 177.109 176.000 0.215 0.000 0.933 135 Q CA 0.797 56.668 55.803 0.113 0.000 0.939 135 Q CB 0.283 29.091 28.738 0.117 0.000 1.044 135 Q HN 0.962 nan 8.270 nan 0.000 0.513 136 G N 0.389 109.308 108.800 0.198 0.000 2.141 136 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.195 136 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.195 136 G C -0.616 174.373 174.900 0.148 0.000 1.012 136 G CA -0.454 44.728 45.100 0.136 0.000 0.696 136 G HN 0.172 nan 8.290 nan 0.000 0.508 137 Y N 0.858 121.183 120.300 0.042 0.000 2.320 137 Y HA 0.495 5.044 4.550 -0.000 0.000 0.324 137 Y C 0.532 176.534 175.900 0.169 0.000 1.190 137 Y CA -1.164 56.998 58.100 0.103 0.000 1.215 137 Y CB 0.939 39.453 38.460 0.089 0.000 1.221 137 Y HN 0.070 nan 8.280 nan 0.000 0.486 138 D N 1.505 122.136 120.400 0.386 0.000 2.352 138 D HA 0.127 4.767 4.640 -0.000 0.000 0.245 138 D C -0.180 176.457 176.300 0.562 0.000 1.224 138 D CA -0.026 54.241 54.000 0.444 0.000 0.879 138 D CB 0.526 41.586 40.800 0.434 0.000 1.057 138 D HN 0.502 nan 8.370 nan 0.000 0.491 139 T N -0.651 114.155 114.554 0.421 0.000 2.767 139 T HA 0.759 5.109 4.350 -0.000 0.000 0.284 139 T C -0.163 174.671 174.700 0.224 0.000 0.973 139 T CA -0.878 61.423 62.100 0.335 0.000 0.996 139 T CB 1.857 70.860 68.868 0.225 0.000 0.927 139 T HN 0.275 nan 8.240 nan 0.000 0.456 140 A N 4.115 126.898 122.820 -0.062 0.000 2.469 140 A HA 0.889 5.209 4.320 -0.000 0.000 0.299 140 A C -0.792 176.552 177.584 -0.401 0.000 1.098 140 A CA -1.097 50.726 52.037 -0.357 0.000 0.737 140 A CB 2.125 20.301 19.000 -1.372 0.000 1.312 140 A HN 0.966 nan 8.150 nan 0.000 0.414 141 M N 1.416 120.692 119.600 -0.539 0.000 2.322 141 M HA 0.658 5.138 4.480 -0.000 0.000 0.286 141 M C -2.320 173.641 176.300 -0.565 0.000 1.111 141 M CA -0.537 54.288 55.300 -0.792 0.000 0.941 141 M CB 1.798 33.518 32.600 -1.467 0.000 1.671 141 M HN 0.746 nan 8.290 nan 0.000 0.470 142 M N 3.581 122.846 119.600 -0.558 0.000 2.327 142 M HA 0.812 5.292 4.480 -0.000 0.000 0.298 142 M C 0.126 176.133 176.300 -0.488 0.000 1.065 142 M CA 0.040 55.082 55.300 -0.430 0.000 0.916 142 M CB 1.947 34.340 32.600 -0.344 0.000 1.630 142 M HN 0.958 nan 8.290 nan 0.000 0.442 143 G N 1.496 110.057 108.800 -0.398 0.000 2.418 143 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.206 143 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.206 143 G C -1.052 173.451 174.900 -0.662 0.000 1.202 143 G CA -0.794 44.037 45.100 -0.448 0.000 1.061 143 G HN 0.890 nan 8.290 nan 0.000 0.563 144 K N 0.427 120.521 120.400 -0.510 0.000 2.416 144 K HA 0.444 4.764 4.320 -0.000 0.000 0.283 144 K C 1.069 177.486 176.600 -0.306 0.000 1.037 144 K CA -0.055 55.977 56.287 -0.425 0.000 0.995 144 K CB 0.790 33.134 32.500 -0.260 0.000 0.938 144 K HN 0.575 nan 8.250 nan 0.000 0.475 145 L N 4.000 125.073 121.223 -0.250 0.000 2.296 145 L HA 0.107 4.447 4.340 -0.000 0.000 0.193 145 L C 0.191 177.091 176.870 0.049 0.000 1.123 145 L CA 1.244 56.027 54.840 -0.096 0.000 0.805 145 L CB -0.504 41.473 42.059 -0.137 0.000 1.004 145 L HN 1.058 nan 8.230 nan 0.000 0.478 146 H N -0.666 118.338 119.070 -0.110 0.000 2.692 146 H HA -0.171 4.385 4.556 -0.000 0.000 0.316 146 H C -0.118 175.213 175.328 0.005 0.000 1.176 146 H CA 0.973 56.989 56.048 -0.053 0.000 1.142 146 H CB -1.488 28.252 29.762 -0.038 0.000 1.475 146 H HN 0.385 nan 8.280 nan 0.000 0.423 147 L N -0.323 120.902 121.223 0.002 0.000 3.086 147 L HA 0.207 4.547 4.340 -0.000 0.000 0.274 147 L C 0.679 177.535 176.870 -0.024 0.000 1.184 147 L CA 0.285 55.108 54.840 -0.028 0.000 1.002 147 L CB 0.287 42.354 42.059 0.013 0.000 1.383 147 L HN 0.450 nan 8.230 nan 0.000 0.582 148 N N -1.029 117.663 118.700 -0.014 0.000 3.157 148 N HA 0.406 5.146 4.740 -0.000 0.000 0.291 148 N C 0.012 175.519 175.510 -0.004 0.000 1.515 148 N CA -0.222 52.818 53.050 -0.017 0.000 0.807 148 N CB 0.972 39.447 38.487 -0.020 0.000 1.672 148 N HN -0.172 nan 8.380 nan 0.000 0.592 149 A N -1.341 121.467 122.820 -0.019 0.000 2.337 149 A HA 0.653 4.973 4.320 -0.000 0.000 0.227 149 A C 0.744 178.315 177.584 -0.022 0.000 1.259 149 A CA 0.520 52.548 52.037 -0.016 0.000 0.870 149 A CB -1.517 17.458 19.000 -0.042 0.000 0.927 149 A HN 1.402 nan 8.150 nan 0.000 0.497 150 G N -3.018 105.764 108.800 -0.030 0.000 2.316 150 G HA2 0.353 4.312 3.960 -0.000 0.000 0.468 150 G HA3 0.353 4.312 3.960 -0.000 0.000 0.468 150 G C 0.550 175.420 174.900 -0.050 0.000 1.523 150 G CA -0.238 44.834 45.100 -0.048 0.000 0.972 150 G HN 0.825 nan 8.290 nan 0.000 0.667 151 G N -0.204 108.559 108.800 -0.063 0.000 2.471 151 G HA2 0.039 3.999 3.960 -0.000 0.000 0.219 151 G HA3 0.039 3.999 3.960 -0.000 0.000 0.219 151 G C 1.269 176.145 174.900 -0.041 0.000 1.125 151 G CA 1.737 46.803 45.100 -0.058 0.000 0.775 151 G HN 1.056 nan 8.290 nan 0.000 0.548 152 D N 0.061 120.440 120.400 -0.035 0.000 2.363 152 D HA -0.045 4.595 4.640 -0.000 0.000 0.220 152 D C 0.683 176.968 176.300 -0.025 0.000 0.994 152 D CA -0.024 53.960 54.000 -0.026 0.000 0.890 152 D CB -0.099 40.688 40.800 -0.023 0.000 0.906 152 D HN 0.014 nan 8.370 nan 0.000 0.530 153 R N 1.659 122.142 120.500 -0.028 0.000 2.325 153 R HA 0.117 4.457 4.340 -0.000 0.000 0.323 153 R C 1.048 177.334 176.300 -0.023 0.000 1.177 153 R CA 0.147 56.231 56.100 -0.027 0.000 1.018 153 R CB 0.049 30.331 30.300 -0.031 0.000 1.070 153 R HN 0.228 nan 8.270 nan 0.000 0.495 154 T N -2.543 111.999 114.554 -0.020 0.000 3.085 154 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 154 T C 0.902 175.593 174.700 -0.016 0.000 1.127 154 T CA 0.627 62.718 62.100 -0.016 0.000 1.103 154 T CB 0.049 68.909 68.868 -0.013 0.000 0.921 154 T HN 0.455 nan 8.240 nan 0.000 0.510 155 D N 0.347 120.736 120.400 -0.019 0.000 2.328 155 D HA 0.046 4.686 4.640 -0.000 0.000 0.221 155 D C 0.402 176.689 176.300 -0.022 0.000 1.072 155 D CA -0.145 53.843 54.000 -0.019 0.000 0.850 155 D CB 0.073 40.860 40.800 -0.022 0.000 0.922 155 D HN 0.470 nan 8.370 nan 0.000 0.516 156 Q N 0.715 120.503 119.800 -0.021 0.000 2.397 156 Q HA 0.380 4.720 4.340 -0.000 0.000 0.275 156 Q C -2.724 173.266 176.000 -0.016 0.000 1.090 156 Q CA -2.223 53.568 55.803 -0.021 0.000 0.809 156 Q CB 2.938 31.660 28.738 -0.027 0.000 1.362 156 Q HN -0.021 nan 8.270 nan 0.000 0.431 157 P HA -0.052 nan 4.420 nan 0.000 0.268 157 P C -0.861 176.438 177.300 -0.002 0.000 1.205 157 P CA 0.184 63.282 63.100 -0.005 0.000 0.771 157 P CB 0.882 32.581 31.700 -0.002 0.000 0.858 158 Q N 1.085 120.888 119.800 0.004 0.000 2.712 158 Q HA 0.465 4.805 4.340 -0.000 0.000 0.267 158 Q C 1.535 177.556 176.000 0.035 0.000 1.062 158 Q CA -0.879 54.926 55.803 0.002 0.000 0.888 158 Q CB 0.707 29.437 28.738 -0.012 0.000 1.374 158 Q HN 0.402 nan 8.270 nan 0.000 0.498 159 A N 0.257 123.096 122.820 0.032 0.000 1.892 159 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 159 A C 1.857 179.546 177.584 0.175 0.000 1.188 159 A CA 2.310 54.415 52.037 0.113 0.000 0.631 159 A CB -0.494 18.504 19.000 -0.002 0.000 0.822 159 A HN 0.724 nan 8.150 nan 0.000 0.447 160 Q N -0.613 119.236 119.800 0.083 0.000 2.124 160 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 160 Q C 1.265 177.291 176.000 0.043 0.000 0.977 160 Q CA 1.673 57.517 55.803 0.069 0.000 0.850 160 Q CB -0.189 28.570 28.738 0.036 0.000 0.901 160 Q HN 0.691 nan 8.270 nan 0.000 0.429 161 D N 0.026 120.445 120.400 0.030 0.000 2.178 161 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 161 D C 1.466 177.765 176.300 -0.003 0.000 0.974 161 D CA 1.039 55.045 54.000 0.010 0.000 0.841 161 D CB -0.041 40.763 40.800 0.006 0.000 0.953 161 D HN 0.394 nan 8.370 nan 0.000 0.478 162 M N -0.394 119.220 119.600 0.023 0.000 2.682 162 M HA 0.102 4.582 4.480 -0.000 0.000 0.235 162 M C 1.055 177.250 176.300 -0.175 0.000 1.114 162 M CA 0.433 55.727 55.300 -0.010 0.000 1.053 162 M CB 0.595 33.264 32.600 0.115 0.000 1.599 162 M HN 0.090 nan 8.290 nan 0.000 0.520 163 G N 0.329 109.043 108.800 -0.143 0.000 2.157 163 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.239 163 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.239 163 G C -0.256 174.473 174.900 -0.284 0.000 0.982 163 G CA -0.646 44.317 45.100 -0.229 0.000 0.650 163 G HN 0.379 nan 8.290 nan 0.000 0.527 164 F N 1.829 121.788 119.950 0.014 0.000 2.350 164 F HA 0.436 4.963 4.527 -0.000 0.000 0.365 164 F C 1.091 176.905 175.800 0.024 0.000 1.122 164 F CA -1.039 56.962 58.000 0.003 0.000 1.139 164 F CB 1.214 40.180 39.000 -0.057 0.000 1.220 164 F HN -0.099 nan 8.300 nan 0.000 0.499 165 D N 1.627 122.163 120.400 0.227 0.000 2.312 165 D HA -0.151 4.488 4.640 -0.000 0.000 0.211 165 D C -0.193 176.261 176.300 0.257 0.000 0.964 165 D CA 1.292 55.416 54.000 0.208 0.000 0.877 165 D CB 0.040 40.969 40.800 0.216 0.000 0.924 165 D HN 0.422 nan 8.370 nan 0.000 0.515 166 Y N 0.296 120.667 120.300 0.118 0.000 2.462 166 Y HA 0.393 4.943 4.550 -0.000 0.000 0.346 166 Y C -0.859 174.985 175.900 -0.093 0.000 0.976 166 Y CA -1.016 57.107 58.100 0.039 0.000 1.044 166 Y CB 1.716 40.215 38.460 0.064 0.000 1.230 166 Y HN -0.202 nan 8.280 nan 0.000 0.455 167 S N 5.769 121.106 115.700 -0.605 0.000 2.543 167 S HA 0.590 5.059 4.470 -0.000 0.000 0.271 167 S C -2.306 171.975 174.600 -0.532 0.000 1.148 167 S CA -0.868 57.051 58.200 -0.468 0.000 0.914 167 S CB 1.665 64.686 63.200 -0.298 0.000 1.096 167 S HN 0.781 nan 8.310 nan 0.000 0.471 168 L N 2.944 123.956 121.223 -0.352 0.000 2.345 168 L HA 0.884 5.224 4.340 -0.000 0.000 0.274 168 L C -0.426 176.302 176.870 -0.236 0.000 0.999 168 L CA -0.195 54.516 54.840 -0.215 0.000 0.849 168 L CB 0.905 42.887 42.059 -0.129 0.000 1.220 168 L HN 1.106 nan 8.230 nan 0.000 0.422 169 A N 3.762 126.426 122.820 -0.260 0.000 2.343 169 A HA 0.656 4.976 4.320 -0.000 0.000 0.316 169 A C -0.931 176.255 177.584 -0.662 0.000 1.104 169 A CA -0.679 51.095 52.037 -0.437 0.000 0.768 169 A CB 0.942 19.748 19.000 -0.324 0.000 1.213 169 A HN 0.636 nan 8.150 nan 0.000 0.456 170 N N 1.510 119.538 118.700 -1.120 0.000 2.439 170 N HA 0.234 4.974 4.740 -0.000 0.000 0.249 170 N C 1.158 176.305 175.510 -0.606 0.000 1.003 170 N CA 0.409 52.763 53.050 -1.159 0.000 0.942 170 N CB 1.246 38.766 38.487 -1.612 0.000 1.115 170 N HN 0.628 nan 8.380 nan 0.000 0.505 171 T N 0.239 114.550 114.554 -0.406 0.000 3.055 171 T HA 0.230 4.580 4.350 -0.000 0.000 0.265 171 T C 0.866 175.447 174.700 -0.198 0.000 1.111 171 T CA 0.172 62.129 62.100 -0.238 0.000 1.118 171 T CB 0.007 68.780 68.868 -0.158 0.000 0.909 171 T HN 0.430 nan 8.240 nan 0.000 0.501 172 A N 0.611 123.227 122.820 -0.340 0.000 2.257 172 A HA 0.703 5.023 4.320 -0.000 0.000 0.289 172 A C 1.653 178.849 177.584 -0.646 0.000 1.095 172 A CA -0.219 51.554 52.037 -0.440 0.000 0.836 172 A CB 0.202 18.828 19.000 -0.624 0.000 1.111 172 A HN 0.328 nan 8.150 nan 0.000 0.497 173 G N -1.113 107.152 108.800 -0.891 0.000 2.848 173 G HA2 0.383 4.343 3.960 -0.000 0.000 0.208 173 G HA3 0.383 4.343 3.960 -0.000 0.000 0.208 173 G C 0.019 174.588 174.900 -0.552 0.000 1.152 173 G CA 0.895 45.364 45.100 -1.052 0.000 0.789 173 G HN 0.980 nan 8.290 nan 0.000 0.531 174 F N -3.088 116.554 119.950 -0.513 0.000 2.693 174 F HA 0.618 5.145 4.527 -0.000 0.000 0.309 174 F C -0.831 174.887 175.800 -0.137 0.000 1.129 174 F CA -1.783 55.975 58.000 -0.402 0.000 0.948 174 F CB 0.961 39.805 39.000 -0.259 0.000 1.315 174 F HN -0.198 nan 8.300 nan 0.000 0.447 175 V N 1.611 121.592 119.914 0.112 0.000 2.637 175 V HA 0.366 4.486 4.120 -0.000 0.000 0.296 175 V C 0.048 176.279 176.094 0.229 0.000 1.046 175 V CA 0.186 62.597 62.300 0.186 0.000 1.066 175 V CB 1.102 33.063 31.823 0.231 0.000 0.968 175 V HN 0.883 nan 8.190 nan 0.000 0.483 176 T N 3.670 118.324 114.554 0.167 0.000 2.797 176 T HA 0.275 4.625 4.350 -0.000 0.000 0.279 176 T C -0.533 174.264 174.700 0.162 0.000 0.991 176 T CA -0.331 61.892 62.100 0.205 0.000 0.979 176 T CB 1.140 70.073 68.868 0.109 0.000 0.943 176 T HN 0.754 nan 8.240 nan 0.000 0.444 177 D N 2.216 122.715 120.400 0.164 0.000 2.472 177 D HA 0.453 5.093 4.640 -0.000 0.000 0.234 177 D C 1.053 177.371 176.300 0.029 0.000 1.088 177 D CA -0.723 53.322 54.000 0.074 0.000 0.882 177 D CB 1.165 41.999 40.800 0.058 0.000 1.037 177 D HN 0.523 nan 8.370 nan 0.000 0.520 178 A N 2.794 125.629 122.820 0.025 0.000 1.978 178 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 178 A C 2.065 179.628 177.584 -0.034 0.000 1.170 178 A CA 2.241 54.283 52.037 0.010 0.000 0.636 178 A CB -0.732 18.276 19.000 0.013 0.000 0.810 178 A HN 0.637 nan 8.150 nan 0.000 0.448 179 T N -2.057 112.464 114.554 -0.055 0.000 2.867 179 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 179 T C 1.757 176.374 174.700 -0.139 0.000 1.057 179 T CA 1.441 63.494 62.100 -0.078 0.000 1.136 179 T CB -0.398 68.428 68.868 -0.071 0.000 0.874 179 T HN 0.314 nan 8.240 nan 0.000 0.466 180 L N 0.540 121.622 121.223 -0.236 0.000 2.102 180 L HA 0.100 4.440 4.340 -0.000 0.000 0.202 180 L C 2.700 179.309 176.870 -0.435 0.000 1.076 180 L CA 1.183 55.710 54.840 -0.522 0.000 0.761 180 L CB -0.457 40.983 42.059 -1.030 0.000 0.921 180 L HN 0.110 nan 8.230 nan 0.000 0.444 181 D N 0.305 120.582 120.400 -0.206 0.000 2.158 181 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 181 D C 1.597 177.897 176.300 -0.000 0.000 0.995 181 D CA 1.187 55.193 54.000 0.011 0.000 0.846 181 D CB -0.198 40.661 40.800 0.099 0.000 0.941 181 D HN 0.275 nan 8.370 nan 0.000 0.456 182 N N 0.046 118.727 118.700 -0.031 0.000 2.280 182 N HA 0.131 4.871 4.740 -0.000 0.000 0.192 182 N C 0.102 175.596 175.510 -0.026 0.000 1.109 182 N CA -0.004 53.036 53.050 -0.016 0.000 0.855 182 N CB 0.505 38.986 38.487 -0.010 0.000 0.974 182 N HN 0.018 nan 8.380 nan 0.000 0.482 183 A N 1.201 123.989 122.820 -0.053 0.000 2.477 183 A HA 0.103 4.423 4.320 -0.000 0.000 0.246 183 A C 1.036 178.614 177.584 -0.010 0.000 1.078 183 A CA 0.076 52.089 52.037 -0.040 0.000 0.770 183 A CB 0.479 19.438 19.000 -0.067 0.000 1.011 183 A HN 0.137 nan 8.150 nan 0.000 0.494 184 K N 0.968 121.370 120.400 0.003 0.000 2.323 184 K HA 0.012 4.332 4.320 -0.000 0.000 0.197 184 K C 0.769 177.385 176.600 0.026 0.000 1.043 184 K CA 0.437 56.733 56.287 0.015 0.000 0.997 184 K CB 0.163 32.670 32.500 0.013 0.000 0.807 184 K HN 0.892 nan 8.250 nan 0.000 0.497 185 E N 2.102 122.321 120.200 0.032 0.000 2.374 185 E HA 0.109 4.459 4.350 -0.000 0.000 0.260 185 E C -0.446 176.191 176.600 0.062 0.000 1.101 185 E CA -0.120 56.310 56.400 0.051 0.000 0.907 185 E CB 0.851 30.589 29.700 0.063 0.000 1.014 185 E HN -0.148 nan 8.360 nan 0.000 0.427 186 R N 2.246 122.791 120.500 0.074 0.000 2.574 186 R HA 0.431 4.771 4.340 -0.000 0.000 0.288 186 R C -2.231 174.134 176.300 0.108 0.000 1.004 186 R CA -1.696 54.450 56.100 0.078 0.000 0.895 186 R CB 0.971 31.307 30.300 0.060 0.000 1.191 186 R HN 0.566 nan 8.270 nan 0.000 0.444 187 P HA 0.372 nan 4.420 nan 0.000 0.274 187 P C -0.658 176.657 177.300 0.026 0.000 1.256 187 P CA -0.628 62.499 63.100 0.045 0.000 0.795 187 P CB 0.747 32.431 31.700 -0.026 0.000 1.038 188 R N 0.152 120.614 120.500 -0.063 0.000 2.514 188 R HA 0.494 4.834 4.340 -0.000 0.000 0.301 188 R C -0.988 175.212 176.300 -0.166 0.000 0.962 188 R CA -0.426 55.663 56.100 -0.018 0.000 0.882 188 R CB 0.946 31.252 30.300 0.009 0.000 1.143 188 R HN 0.471 nan 8.270 nan 0.000 0.452 189 Y N 0.506 120.888 120.300 0.137 0.000 2.331 189 Y HA 0.662 5.211 4.550 -0.000 0.000 0.334 189 Y C 0.601 176.564 175.900 0.105 0.000 0.960 189 Y CA -0.538 57.653 58.100 0.153 0.000 1.130 189 Y CB 2.674 41.211 38.460 0.129 0.000 1.164 189 Y HN 0.809 nan 8.280 nan 0.000 0.458 190 G N 2.968 111.916 108.800 0.246 0.000 2.386 190 G HA2 0.329 4.289 3.960 -0.000 0.000 0.302 190 G HA3 0.329 4.289 3.960 -0.000 0.000 0.302 190 G C -1.600 173.413 174.900 0.189 0.000 1.629 190 G CA -1.182 44.026 45.100 0.181 0.000 0.917 190 G HN 0.189 nan 8.290 nan 0.000 0.676 191 M N 0.625 120.335 119.600 0.182 0.000 2.247 191 M HA 0.405 4.885 4.480 -0.000 0.000 0.326 191 M C 0.580 176.918 176.300 0.063 0.000 1.134 191 M CA -0.833 54.529 55.300 0.103 0.000 1.136 191 M CB 1.282 33.891 32.600 0.014 0.000 1.454 191 M HN 0.247 nan 8.290 nan 0.000 0.467 192 V N 3.127 123.008 119.914 -0.055 0.000 2.432 192 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 192 V C -0.927 175.010 176.094 -0.261 0.000 1.046 192 V CA -0.211 62.065 62.300 -0.040 0.000 0.945 192 V CB -0.270 31.566 31.823 0.020 0.000 0.992 192 V HN 0.576 nan 8.190 nan 0.000 0.471 193 Y N 5.970 126.229 120.300 -0.069 0.000 2.328 193 Y HA 0.419 4.969 4.550 0.000 0.000 0.336 193 Y C -2.207 173.565 175.900 -0.215 0.000 0.960 193 Y CA -2.930 55.074 58.100 -0.160 0.000 1.134 193 Y CB 1.904 40.260 38.460 -0.174 0.000 1.166 193 Y HN 0.496 nan 8.280 nan 0.000 0.464 194 P HA 0.019 nan 4.420 nan 0.000 0.262 194 P C -0.223 176.894 177.300 -0.306 0.000 1.199 194 P CA 0.140 63.055 63.100 -0.308 0.000 0.763 194 P CB 0.457 31.689 31.700 -0.781 0.000 0.790 195 T N -0.654 113.865 114.554 -0.059 0.000 2.952 195 T HA 0.592 4.942 4.350 -0.000 0.000 0.286 195 T C 1.003 175.815 174.700 0.186 0.000 1.024 195 T CA -0.113 61.994 62.100 0.012 0.000 1.029 195 T CB 1.437 70.316 68.868 0.018 0.000 1.094 195 T HN 0.637 nan 8.240 nan 0.000 0.515 196 G N -0.327 108.577 108.800 0.173 0.000 2.179 196 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 196 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 196 G C -0.137 174.931 174.900 0.279 0.000 0.977 196 G CA -0.194 45.018 45.100 0.186 0.000 0.641 196 G HN 0.728 nan 8.290 nan 0.000 0.533 197 W N 0.139 121.455 121.300 0.026 0.000 2.161 197 W HA 0.686 5.346 4.660 -0.000 0.000 0.344 197 W C 0.769 177.282 176.519 -0.010 0.000 1.262 197 W CA -0.597 56.759 57.345 0.018 0.000 1.270 197 W CB 0.321 29.848 29.460 0.111 0.000 1.126 197 W HN 0.077 nan 8.180 nan 0.000 0.598 198 L N 2.938 124.233 121.223 0.119 0.000 2.319 198 L HA 0.460 4.800 4.340 -0.000 0.000 0.281 198 L C 0.198 177.047 176.870 -0.034 0.000 1.005 198 L CA -1.013 53.840 54.840 0.021 0.000 0.828 198 L CB 1.419 43.451 42.059 -0.045 0.000 1.227 198 L HN 0.286 nan 8.230 nan 0.000 0.415 199 R N 4.444 124.926 120.500 -0.031 0.000 2.198 199 R HA 0.216 4.556 4.340 -0.000 0.000 0.339 199 R C -0.225 175.981 176.300 -0.157 0.000 1.020 199 R CA -0.367 55.659 56.100 -0.124 0.000 0.864 199 R CB 0.337 30.601 30.300 -0.060 0.000 1.105 199 R HN 0.668 nan 8.270 nan 0.000 0.463 200 N N 3.641 122.187 118.700 -0.258 0.000 2.688 200 N HA -0.220 4.519 4.740 -0.000 0.000 0.258 200 N C 0.608 176.062 175.510 -0.094 0.000 1.016 200 N CA 1.443 54.380 53.050 -0.188 0.000 0.747 200 N CB -0.977 37.412 38.487 -0.163 0.000 0.895 200 N HN 1.097 nan 8.380 nan 0.000 0.543 201 G N -1.157 107.591 108.800 -0.087 0.000 2.212 201 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.266 201 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.266 201 G C -0.144 174.737 174.900 -0.033 0.000 0.978 201 G CA 0.559 45.628 45.100 -0.052 0.000 0.632 201 G HN 0.487 nan 8.290 nan 0.000 0.537 202 Q N 0.708 120.490 119.800 -0.029 0.000 2.307 202 Q HA 0.430 4.770 4.340 -0.000 0.000 0.262 202 Q C -2.611 173.397 176.000 0.013 0.000 0.961 202 Q CA -2.091 53.709 55.803 -0.006 0.000 0.882 202 Q CB 1.785 30.522 28.738 -0.001 0.000 1.264 202 Q HN 0.160 nan 8.270 nan 0.000 0.446 203 P HA -0.070 nan 4.420 nan 0.000 0.261 203 P C -0.209 177.126 177.300 0.057 0.000 1.173 203 P CA 0.592 63.718 63.100 0.044 0.000 0.760 203 P CB 0.392 32.110 31.700 0.030 0.000 0.783 204 T N 1.764 116.374 114.554 0.093 0.000 2.934 204 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 204 T C -2.086 172.653 174.700 0.065 0.000 1.005 204 T CA -1.901 60.261 62.100 0.103 0.000 1.041 204 T CB 0.504 69.489 68.868 0.195 0.000 1.042 204 T HN 0.174 nan 8.240 nan 0.000 0.505 205 P HA 0.292 nan 4.420 nan 0.000 0.277 205 P C -0.288 176.976 177.300 -0.060 0.000 1.271 205 P CA -0.896 62.198 63.100 -0.010 0.000 0.795 205 P CB 0.617 32.306 31.700 -0.019 0.000 1.101 206 R N 0.229 120.672 120.500 -0.094 0.000 2.504 206 R HA 0.248 4.588 4.340 -0.000 0.000 0.291 206 R C 0.132 176.275 176.300 -0.262 0.000 0.974 206 R CA -0.121 55.881 56.100 -0.163 0.000 1.077 206 R CB -0.346 29.875 30.300 -0.132 0.000 0.926 206 R HN 0.587 nan 8.270 nan 0.000 0.407 207 A N 3.630 126.166 122.820 -0.473 0.000 2.483 207 A HA -0.018 4.302 4.320 -0.000 0.000 0.238 207 A C 0.490 177.890 177.584 -0.306 0.000 1.070 207 A CA 0.073 51.702 52.037 -0.679 0.000 0.770 207 A CB 0.240 18.368 19.000 -1.453 0.000 1.008 207 A HN 0.948 nan 8.150 nan 0.000 0.497 208 D N 0.537 120.810 120.400 -0.211 0.000 2.350 208 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 208 D C 0.207 176.544 176.300 0.061 0.000 1.031 208 D CA 0.703 54.621 54.000 -0.137 0.000 0.861 208 D CB 0.125 40.871 40.800 -0.090 0.000 0.926 208 D HN 0.471 nan 8.370 nan 0.000 0.520 209 K N -0.240 120.244 120.400 0.141 0.000 2.385 209 K HA 0.438 4.758 4.320 -0.000 0.000 0.248 209 K C -0.044 176.611 176.600 0.091 0.000 0.955 209 K CA -0.827 55.599 56.287 0.233 0.000 0.816 209 K CB 2.671 35.270 32.500 0.165 0.000 1.250 209 K HN -0.117 nan 8.250 nan 0.000 0.434 210 M N 0.776 120.322 119.600 -0.091 0.000 2.219 210 M HA -0.057 4.423 4.480 -0.000 0.000 0.307 210 M C 1.761 178.094 176.300 0.055 0.000 1.116 210 M CA 0.439 55.612 55.300 -0.211 0.000 1.181 210 M CB 0.548 32.987 32.600 -0.268 0.000 1.410 210 M HN 0.771 nan 8.290 nan 0.000 0.454 211 S N 1.460 117.191 115.700 0.051 0.000 2.374 211 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 211 S C 1.712 176.423 174.600 0.185 0.000 1.037 211 S CA 2.099 60.361 58.200 0.102 0.000 1.024 211 S CB -0.655 62.649 63.200 0.174 0.000 0.861 211 S HN 0.924 nan 8.310 nan 0.000 0.456 212 G N 0.312 109.190 108.800 0.131 0.000 2.418 212 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 212 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 212 G C 1.370 176.279 174.900 0.014 0.000 1.158 212 G CA 0.863 45.913 45.100 -0.085 0.000 0.771 212 G HN 0.639 nan 8.290 nan 0.000 0.545 213 E N -0.883 119.374 120.200 0.095 0.000 2.107 213 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 213 E C 2.103 178.819 176.600 0.192 0.000 0.982 213 E CA 0.487 56.983 56.400 0.159 0.000 0.809 213 E CB -0.211 29.632 29.700 0.239 0.000 0.756 213 E HN 0.442 nan 8.360 nan 0.000 0.459 214 Y N 1.315 121.625 120.300 0.016 0.000 2.128 214 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 214 Y C 2.075 177.967 175.900 -0.014 0.000 1.154 214 Y CA 0.988 59.051 58.100 -0.061 0.000 1.149 214 Y CB -0.553 37.754 38.460 -0.256 0.000 0.976 214 Y HN -0.167 nan 8.280 nan 0.000 0.505 215 V N -0.065 119.871 119.914 0.037 0.000 2.270 215 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 215 V C 2.617 178.710 176.094 -0.000 0.000 1.043 215 V CA 2.302 64.589 62.300 -0.021 0.000 1.014 215 V CB -1.255 30.583 31.823 0.025 0.000 0.645 215 V HN 0.588 nan 8.190 nan 0.000 0.447 216 S N -0.433 115.347 115.700 0.134 0.000 2.402 216 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 216 S C 2.026 176.673 174.600 0.077 0.000 1.021 216 S CA 1.587 59.866 58.200 0.133 0.000 0.974 216 S CB -0.500 62.809 63.200 0.183 0.000 0.800 216 S HN 0.487 nan 8.310 nan 0.000 0.484 217 S N 1.824 117.572 115.700 0.080 0.000 2.368 217 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 217 S C 1.917 176.547 174.600 0.050 0.000 1.030 217 S CA 1.473 59.718 58.200 0.075 0.000 0.999 217 S CB -0.463 62.800 63.200 0.105 0.000 0.844 217 S HN 0.701 nan 8.310 nan 0.000 0.459 218 E N 1.066 121.274 120.200 0.014 0.000 2.106 218 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 218 E C 1.839 178.450 176.600 0.018 0.000 0.984 218 E CA 0.876 57.280 56.400 0.008 0.000 0.806 218 E CB -0.180 29.477 29.700 -0.071 0.000 0.750 218 E HN 0.288 nan 8.360 nan 0.000 0.458 219 V N -0.347 119.554 119.914 -0.021 0.000 2.261 219 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 219 V C 2.330 178.456 176.094 0.053 0.000 1.047 219 V CA 1.624 63.910 62.300 -0.023 0.000 1.015 219 V CB -0.624 31.171 31.823 -0.047 0.000 0.642 219 V HN 0.177 nan 8.190 nan 0.000 0.446 220 V N 0.771 120.712 119.914 0.045 0.000 2.343 220 V HA -0.228 3.891 4.120 -0.000 0.000 0.247 220 V C 2.380 178.489 176.094 0.026 0.000 1.051 220 V CA 2.158 64.481 62.300 0.038 0.000 1.036 220 V CB -0.878 30.971 31.823 0.043 0.000 0.654 220 V HN 0.562 nan 8.190 nan 0.000 0.451 221 N N -1.204 117.518 118.700 0.038 0.000 2.166 221 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 221 N C 1.433 176.939 175.510 -0.005 0.000 1.019 221 N CA 1.547 54.609 53.050 0.020 0.000 0.856 221 N CB -0.429 38.083 38.487 0.042 0.000 0.993 221 N HN 0.725 nan 8.380 nan 0.000 0.426 222 W N 1.494 122.672 121.300 -0.203 0.000 2.388 222 W HA 0.085 4.745 4.660 -0.000 0.000 0.294 222 W C 1.796 178.142 176.519 -0.289 0.000 1.212 222 W CA 0.641 57.790 57.345 -0.327 0.000 1.271 222 W CB -0.211 28.979 29.460 -0.450 0.000 1.126 222 W HN -0.037 nan 8.180 nan 0.000 0.535 223 L N 0.022 121.204 121.223 -0.068 0.000 2.109 223 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 223 L C 1.967 178.680 176.870 -0.261 0.000 1.086 223 L CA 1.571 56.266 54.840 -0.242 0.000 0.760 223 L CB -0.715 41.270 42.059 -0.124 0.000 0.910 223 L HN -0.154 nan 8.230 nan 0.000 0.437 224 D N 0.232 120.530 120.400 -0.169 0.000 2.097 224 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 224 D C 1.485 177.671 176.300 -0.191 0.000 0.984 224 D CA 1.235 55.151 54.000 -0.140 0.000 0.826 224 D CB -0.026 40.726 40.800 -0.080 0.000 0.973 224 D HN 0.262 nan 8.370 nan 0.000 0.460 225 N N -0.197 118.358 118.700 -0.241 0.000 2.383 225 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 225 N C 0.080 175.368 175.510 -0.370 0.000 1.141 225 N CA -0.132 52.769 53.050 -0.248 0.000 0.851 225 N CB 0.357 38.732 38.487 -0.186 0.000 0.976 225 N HN 0.252 nan 8.380 nan 0.000 0.465 229 S N -0.211 115.474 115.700 -0.024 0.000 2.272 229 S HA 0.389 4.858 4.470 -0.000 0.000 0.207 229 S C -1.098 173.498 174.600 -0.008 0.000 1.336 229 S CA -0.452 57.744 58.200 -0.007 0.000 1.259 229 S CB -0.469 62.727 63.200 -0.007 0.000 1.130 229 S HN 0.178 nan 8.310 nan 0.000 0.444 230 K N 1.907 122.308 120.400 0.002 0.000 2.259 230 K HA 0.552 4.872 4.320 -0.000 0.000 0.249 230 K C -2.921 173.673 176.600 -0.009 0.000 0.942 230 K CA -2.406 53.868 56.287 -0.022 0.000 0.816 230 K CB 1.342 33.841 32.500 -0.002 0.000 1.155 230 K HN 0.199 nan 8.250 nan 0.000 0.428 231 P HA 0.058 nan 4.420 nan 0.000 0.271 231 P C -1.056 176.211 177.300 -0.056 0.000 1.216 231 P CA -0.138 62.771 63.100 -0.319 0.000 0.776 231 P CB 0.215 31.386 31.700 -0.882 0.000 0.881 232 F N 0.489 120.546 119.950 0.178 0.000 2.546 232 F HA 0.672 5.199 4.527 0.000 0.000 0.320 232 F C -1.211 174.922 175.800 0.555 0.000 1.076 232 F CA -1.608 56.644 58.000 0.420 0.000 0.928 232 F CB 1.257 40.541 39.000 0.474 0.000 1.189 232 F HN 0.173 nan 8.300 nan 0.000 0.465 233 F N 4.723 124.996 119.950 0.537 0.000 2.402 233 F HA 0.656 5.183 4.527 -0.000 0.000 0.355 233 F C -1.601 174.393 175.800 0.323 0.000 1.123 233 F CA -0.980 57.211 58.000 0.318 0.000 1.021 233 F CB 0.943 40.012 39.000 0.115 0.000 1.160 233 F HN 0.471 nan 8.300 nan 0.000 0.451 234 L N 7.254 128.572 121.223 0.158 0.000 2.305 234 L HA 0.276 4.616 4.340 -0.000 0.000 0.284 234 L C -1.315 175.335 176.870 -0.367 0.000 1.013 234 L CA -1.068 53.658 54.840 -0.190 0.000 0.819 234 L CB 1.366 43.431 42.059 0.010 0.000 1.227 234 L HN 0.572 nan 8.230 nan 0.000 0.417 235 Y N 4.507 124.376 120.300 -0.719 0.000 2.417 235 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 235 Y C -0.589 175.025 175.900 -0.476 0.000 0.961 235 Y CA -1.090 56.677 58.100 -0.555 0.000 1.215 235 Y CB 1.058 39.165 38.460 -0.588 0.000 1.120 235 Y HN 0.197 nan 8.280 nan 0.000 0.499 236 V N 6.453 126.044 119.914 -0.537 0.000 2.288 236 V HA 0.525 4.645 4.120 -0.000 0.000 0.266 236 V C 0.223 175.804 176.094 -0.856 0.000 1.048 236 V CA -0.518 61.363 62.300 -0.699 0.000 0.842 236 V CB 0.415 31.904 31.823 -0.557 0.000 1.064 236 V HN 0.904 nan 8.190 nan 0.000 0.472 237 A N 5.644 127.897 122.820 -0.945 0.000 2.880 237 A HA 0.673 4.993 4.320 -0.000 0.000 0.328 237 A C -0.220 177.101 177.584 -0.440 0.000 1.440 237 A CA -0.403 51.194 52.037 -0.732 0.000 1.068 237 A CB -0.362 18.126 19.000 -0.853 0.000 1.163 237 A HN 0.599 nan 8.150 nan 0.000 0.510 238 F N 0.853 120.702 119.950 -0.168 0.000 2.553 238 F HA 0.116 4.643 4.527 -0.000 0.000 0.356 238 F C 2.177 177.955 175.800 -0.036 0.000 1.142 238 F CA 1.079 59.035 58.000 -0.074 0.000 1.322 238 F CB 1.028 39.995 39.000 -0.055 0.000 1.126 238 F HN 0.610 nan 8.300 nan 0.000 0.599 239 T N -1.760 112.938 114.554 0.239 0.000 3.043 239 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 239 T C 0.400 175.209 174.700 0.181 0.000 1.094 239 T CA 0.028 62.229 62.100 0.167 0.000 1.127 239 T CB -0.315 68.675 68.868 0.203 0.000 0.905 239 T HN 0.392 nan 8.240 nan 0.000 0.490 240 E N 1.897 122.191 120.200 0.158 0.000 2.384 240 E HA 0.290 4.639 4.350 -0.000 0.000 0.266 240 E C 0.617 177.271 176.600 0.089 0.000 1.012 240 E CA 0.053 56.502 56.400 0.082 0.000 0.901 240 E CB 1.226 30.901 29.700 -0.041 0.000 0.967 240 E HN 0.344 nan 8.360 nan 0.000 0.435 241 V N 0.613 120.575 119.914 0.079 0.000 2.982 241 V HA 0.183 4.303 4.120 -0.000 0.000 0.368 241 V C 0.388 176.570 176.094 0.147 0.000 1.350 241 V CA -0.604 61.715 62.300 0.032 0.000 1.251 241 V CB -0.544 31.175 31.823 -0.172 0.000 1.284 241 V HN 0.597 nan 8.190 nan 0.000 0.533 242 H N 2.429 121.561 119.070 0.104 0.000 2.790 242 H HA 0.316 4.872 4.556 -0.000 0.000 0.358 242 H C 0.725 176.109 175.328 0.093 0.000 1.103 242 H CA 1.112 57.238 56.048 0.129 0.000 1.426 242 H CB 1.855 31.693 29.762 0.125 0.000 1.424 242 H HN 0.707 nan 8.280 nan 0.000 0.599 243 S N 5.414 121.237 115.700 0.205 0.000 2.560 243 S HA 0.151 4.620 4.470 -0.000 0.000 0.284 243 S C -2.583 172.075 174.600 0.096 0.000 1.327 243 S CA -1.267 56.991 58.200 0.097 0.000 1.055 243 S CB 0.841 64.117 63.200 0.126 0.000 0.868 243 S HN 0.488 nan 8.310 nan 0.000 0.506 244 P HA 0.330 nan 4.420 nan 0.000 0.286 244 P C -0.451 176.702 177.300 -0.245 0.000 1.269 244 P CA -0.672 61.982 63.100 -0.743 0.000 0.787 244 P CB 0.516 31.436 31.700 -1.301 0.000 0.920 245 L N 2.130 123.281 121.223 -0.121 0.000 2.461 245 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 245 L C 0.791 177.655 176.870 -0.011 0.000 1.197 245 L CA -0.059 54.788 54.840 0.013 0.000 0.836 245 L CB 0.073 42.199 42.059 0.111 0.000 1.105 245 L HN 0.450 nan 8.230 nan 0.000 0.477 246 A N 2.277 125.090 122.820 -0.011 0.000 2.497 246 A HA 0.667 4.987 4.320 -0.000 0.000 0.280 246 A C -0.785 176.691 177.584 -0.181 0.000 1.065 246 A CA -0.379 51.609 52.037 -0.082 0.000 0.781 246 A CB 1.430 20.352 19.000 -0.130 0.000 1.289 246 A HN 0.543 nan 8.150 nan 0.000 0.415 247 S N 3.087 118.653 115.700 -0.222 0.000 2.538 247 S HA 0.763 5.233 4.470 -0.000 0.000 0.288 247 S C -2.888 171.554 174.600 -0.263 0.000 1.108 247 S CA -1.016 56.938 58.200 -0.410 0.000 0.971 247 S CB 1.912 65.024 63.200 -0.146 0.000 1.041 247 S HN 0.554 nan 8.310 nan 0.000 0.483 248 P HA 0.174 nan 4.420 nan 0.000 0.269 248 P C 0.797 178.109 177.300 0.020 0.000 1.215 248 P CA -0.382 62.676 63.100 -0.069 0.000 0.780 248 P CB 0.530 32.237 31.700 0.012 0.000 0.898 249 K N 2.291 122.686 120.400 -0.008 0.000 2.107 249 K HA -0.287 4.032 4.320 -0.000 0.000 0.211 249 K C 1.811 178.375 176.600 -0.061 0.000 1.049 249 K CA 1.977 58.254 56.287 -0.016 0.000 0.927 249 K CB -0.177 32.310 32.500 -0.020 0.000 0.714 249 K HN 0.311 nan 8.250 nan 0.000 0.452 250 K N -0.404 119.898 120.400 -0.162 0.000 2.089 250 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 250 K C 1.795 178.162 176.600 -0.388 0.000 1.048 250 K CA 2.049 58.121 56.287 -0.357 0.000 0.926 250 K CB -0.154 31.980 32.500 -0.610 0.000 0.714 250 K HN 0.249 nan 8.250 nan 0.000 0.448 251 Y N 0.067 120.377 120.300 0.016 0.000 2.397 251 Y HA 0.061 4.610 4.550 -0.000 0.000 0.292 251 Y C 1.885 177.876 175.900 0.150 0.000 1.115 251 Y CA 0.294 58.444 58.100 0.083 0.000 1.208 251 Y CB -0.012 38.510 38.460 0.104 0.000 1.046 251 Y HN -0.063 nan 8.280 nan 0.000 0.552 252 L N -0.160 121.194 121.223 0.217 0.000 2.141 252 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 252 L C 1.463 178.414 176.870 0.136 0.000 1.094 252 L CA 1.139 56.091 54.840 0.186 0.000 0.763 252 L CB -0.316 41.807 42.059 0.108 0.000 0.908 252 L HN 0.161 nan 8.230 nan 0.000 0.437 253 D N -0.192 120.236 120.400 0.046 0.000 2.224 253 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 253 D C 2.258 178.525 176.300 -0.055 0.000 0.965 253 D CA 1.038 55.034 54.000 -0.007 0.000 0.852 253 D CB -0.042 40.729 40.800 -0.049 0.000 0.947 253 D HN 0.310 nan 8.370 nan 0.000 0.494 254 M N -0.743 118.775 119.600 -0.136 0.000 2.446 254 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 254 M C 0.234 176.175 176.300 -0.599 0.000 1.066 254 M CA 1.172 56.215 55.300 -0.429 0.000 1.087 254 M CB 0.089 32.295 32.600 -0.657 0.000 1.406 254 M HN 0.028 nan 8.290 nan 0.000 0.459 255 Y N -2.341 118.071 120.300 0.187 0.000 2.712 255 Y HA 0.252 4.802 4.550 -0.000 0.000 0.250 255 Y C 1.619 177.655 175.900 0.226 0.000 1.101 255 Y CA -0.458 57.832 58.100 0.318 0.000 1.118 255 Y CB -0.279 38.403 38.460 0.370 0.000 1.203 255 Y HN 0.014 nan 8.280 nan 0.000 0.587 256 S N 0.083 115.891 115.700 0.180 0.000 2.419 256 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 256 S C 2.075 176.694 174.600 0.033 0.000 1.016 256 S CA 1.878 60.130 58.200 0.086 0.000 0.974 256 S CB 0.068 63.285 63.200 0.028 0.000 0.786 256 S HN 0.702 nan 8.310 nan 0.000 0.492 257 Q N -0.882 118.905 119.800 -0.022 0.000 2.167 257 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 257 Q C 0.608 176.439 176.000 -0.281 0.000 0.970 257 Q CA 1.240 56.910 55.803 -0.221 0.000 0.855 257 Q CB -0.098 28.386 28.738 -0.424 0.000 0.911 257 Q HN 0.803 nan 8.270 nan 0.000 0.438 258 Y N -0.367 120.012 120.300 0.131 0.000 2.470 258 Y HA 0.183 4.733 4.550 -0.000 0.000 0.284 258 Y C 0.200 176.064 175.900 -0.060 0.000 1.188 258 Y CA -0.131 58.020 58.100 0.085 0.000 1.269 258 Y CB 0.396 38.973 38.460 0.195 0.000 1.094 258 Y HN 0.045 nan 8.280 nan 0.000 0.518 259 M N 0.413 120.034 119.600 0.036 0.000 2.300 259 M HA 0.262 4.742 4.480 -0.000 0.000 0.348 259 M C 0.554 176.808 176.300 -0.077 0.000 1.151 259 M CA -0.560 54.705 55.300 -0.058 0.000 1.046 259 M CB 1.330 33.922 32.600 -0.014 0.000 1.647 259 M HN 0.170 nan 8.290 nan 0.000 0.451 260 S N 1.816 117.432 115.700 -0.140 0.000 2.608 260 S HA 0.455 4.925 4.470 -0.000 0.000 0.261 260 S C 1.212 175.819 174.600 0.011 0.000 1.314 260 S CA -0.065 58.105 58.200 -0.051 0.000 0.992 260 S CB 0.803 63.964 63.200 -0.066 0.000 0.935 260 S HN 0.736 nan 8.310 nan 0.000 0.564 261 A N 0.676 123.532 122.820 0.060 0.000 1.972 261 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 261 A C 1.920 179.563 177.584 0.099 0.000 1.169 261 A CA 1.544 53.621 52.037 0.067 0.000 0.635 261 A CB -1.324 17.724 19.000 0.080 0.000 0.810 261 A HN 1.007 nan 8.150 nan 0.000 0.446 262 Y N -0.104 120.217 120.300 0.035 0.000 2.200 262 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 262 Y C 2.658 178.613 175.900 0.093 0.000 1.137 262 Y CA 2.123 60.273 58.100 0.083 0.000 1.163 262 Y CB -0.148 38.327 38.460 0.025 0.000 0.988 262 Y HN 0.367 nan 8.280 nan 0.000 0.518 263 Q N 1.127 120.975 119.800 0.079 0.000 2.061 263 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 263 Q C 1.930 177.913 176.000 -0.029 0.000 0.984 263 Q CA 2.031 57.829 55.803 -0.009 0.000 0.846 263 Q CB -0.169 28.519 28.738 -0.083 0.000 0.902 263 Q HN 0.518 nan 8.270 nan 0.000 0.421 264 K N -0.083 120.297 120.400 -0.033 0.000 2.147 264 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 264 K C 2.200 178.746 176.600 -0.091 0.000 1.049 264 K CA 1.334 57.596 56.287 -0.043 0.000 0.936 264 K CB 0.009 32.491 32.500 -0.031 0.000 0.722 264 K HN 0.309 nan 8.250 nan 0.000 0.446 265 Q N -0.559 119.154 119.800 -0.145 0.000 2.331 265 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 265 Q C 0.063 175.732 176.000 -0.553 0.000 0.944 265 Q CA 0.688 56.308 55.803 -0.305 0.000 0.892 265 Q CB 0.460 29.025 28.738 -0.288 0.000 0.983 265 Q HN 0.394 nan 8.270 nan 0.000 0.482 266 H N -0.510 118.425 119.070 -0.224 0.000 2.439 266 H HA 0.151 4.707 4.556 -0.000 0.000 0.228 266 H C -2.009 173.357 175.328 0.063 0.000 1.423 266 H CA -1.495 54.527 56.048 -0.045 0.000 1.386 266 H CB 1.137 30.812 29.762 -0.145 0.000 1.641 266 H HN 0.146 nan 8.280 nan 0.000 0.508 267 P HA -0.072 nan 4.420 nan 0.000 0.222 267 P C 0.732 178.163 177.300 0.218 0.000 1.153 267 P CA 0.952 64.131 63.100 0.132 0.000 0.798 267 P CB 0.410 32.152 31.700 0.070 0.000 0.796 268 D N -0.945 119.632 120.400 0.294 0.000 2.463 268 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 268 D C 0.456 176.987 176.300 0.386 0.000 1.174 268 D CA -0.805 53.386 54.000 0.320 0.000 0.829 268 D CB -0.864 40.094 40.800 0.263 0.000 0.993 268 D HN 0.037 nan 8.370 nan 0.000 0.497 269 L N 1.468 122.933 121.223 0.403 0.000 2.513 269 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 269 L C -0.321 176.821 176.870 0.453 0.000 1.187 269 L CA -0.409 54.574 54.840 0.238 0.000 0.895 269 L CB -0.071 42.166 42.059 0.297 0.000 1.147 269 L HN -0.027 nan 8.230 nan 0.000 0.483 270 F N 6.059 126.040 119.950 0.052 0.000 2.529 270 F HA 0.103 4.630 4.527 0.000 0.000 0.365 270 F C 0.957 176.580 175.800 -0.296 0.000 1.102 270 F CA -0.186 57.803 58.000 -0.020 0.000 1.271 270 F CB 0.360 39.338 39.000 -0.036 0.000 1.120 270 F HN 0.678 nan 8.300 nan 0.000 0.579 271 Y N 3.401 122.785 120.300 -1.526 0.000 2.403 271 Y HA 0.065 4.615 4.550 -0.000 0.000 0.291 271 Y C 1.823 176.874 175.900 -1.414 0.000 1.143 271 Y CA 0.704 57.432 58.100 -2.288 0.000 1.257 271 Y CB -0.706 36.531 38.460 -2.038 0.000 0.984 271 Y HN 0.616 nan 8.280 nan 0.000 0.550 272 G N 0.611 108.299 108.800 -1.853 0.000 2.479 272 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 272 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 272 G C 0.708 175.345 174.900 -0.440 0.000 1.115 272 G CA 1.066 45.534 45.100 -1.052 0.000 0.757 272 G HN 0.508 nan 8.290 nan 0.000 0.560 273 D N -1.140 119.079 120.400 -0.303 0.000 2.559 273 D HA 0.107 4.746 4.640 -0.000 0.000 0.234 273 D C 0.692 177.083 176.300 0.152 0.000 1.226 273 D CA -0.464 53.519 54.000 -0.029 0.000 0.830 273 D CB 0.068 40.897 40.800 0.048 0.000 1.028 273 D HN 0.344 nan 8.370 nan 0.000 0.492 274 W N 1.277 122.503 121.300 -0.123 0.000 2.863 274 W HA 0.281 4.941 4.660 -0.000 0.000 0.258 274 W C 2.157 178.625 176.519 -0.085 0.000 1.298 274 W CA -0.505 56.793 57.345 -0.078 0.000 1.451 274 W CB -0.748 28.685 29.460 -0.046 0.000 1.107 274 W HN 0.029 nan 8.180 nan 0.000 0.641 275 A N 1.195 124.076 122.820 0.102 0.000 1.978 275 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 275 A C 1.480 179.067 177.584 0.005 0.000 1.170 275 A CA 2.270 54.326 52.037 0.031 0.000 0.636 275 A CB -0.649 18.340 19.000 -0.018 0.000 0.810 275 A HN 0.274 nan 8.150 nan 0.000 0.448 276 D N -1.735 118.663 120.400 -0.003 0.000 2.462 276 D HA 0.137 4.777 4.640 -0.000 0.000 0.221 276 D C -0.096 176.154 176.300 -0.084 0.000 1.173 276 D CA -0.096 53.884 54.000 -0.034 0.000 0.831 276 D CB 0.153 40.940 40.800 -0.021 0.000 1.001 276 D HN 0.052 nan 8.370 nan 0.000 0.499 277 K N 1.158 121.486 120.400 -0.121 0.000 2.221 277 K HA 0.520 4.840 4.320 -0.000 0.000 0.243 277 K C -2.460 173.913 176.600 -0.379 0.000 0.968 277 K CA -1.957 54.138 56.287 -0.320 0.000 0.846 277 K CB 0.845 33.159 32.500 -0.310 0.000 1.141 277 K HN -0.074 nan 8.250 nan 0.000 0.434 278 P HA -0.045 nan 4.420 nan 0.000 0.269 278 P C -0.441 176.746 177.300 -0.188 0.000 1.211 278 P CA -0.257 62.623 63.100 -0.367 0.000 0.781 278 P CB 0.328 31.770 31.700 -0.430 0.000 0.877 279 W N 2.395 123.569 121.300 -0.210 0.000 2.231 279 W HA 0.028 4.688 4.660 -0.000 0.000 0.341 279 W C 1.088 177.522 176.519 -0.142 0.000 1.298 279 W CA 0.098 57.342 57.345 -0.168 0.000 1.266 279 W CB 0.241 29.636 29.460 -0.109 0.000 1.172 279 W HN 0.372 nan 8.180 nan 0.000 0.568 280 R N 3.543 123.646 120.500 -0.662 0.000 2.312 280 R HA 0.297 4.636 4.340 -0.000 0.000 0.205 280 R C 1.054 176.828 176.300 -0.876 0.000 0.904 280 R CA 0.516 56.238 56.100 -0.630 0.000 1.052 280 R CB 0.029 29.924 30.300 -0.674 0.000 1.014 280 R HN 0.790 nan 8.270 nan 0.000 0.503 281 G N 0.407 108.098 108.800 -1.848 0.000 2.660 281 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 281 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 281 G C 0.328 174.581 174.900 -1.078 0.000 1.345 281 G CA -0.272 43.743 45.100 -1.808 0.000 0.877 281 G HN 0.204 nan 8.290 nan 0.000 0.549 282 V N -2.306 117.252 119.914 -0.594 0.000 3.528 282 V HA 0.605 4.725 4.120 -0.000 0.000 0.294 282 V C 2.218 177.896 176.094 -0.693 0.000 1.404 282 V CA 1.607 63.588 62.300 -0.530 0.000 1.065 282 V CB 0.086 31.648 31.823 -0.435 0.000 0.904 282 V HN 1.996 nan 8.190 nan 0.000 0.435 283 G N 0.830 109.425 108.800 -0.342 0.000 2.408 283 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 283 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 283 G C 1.330 176.171 174.900 -0.097 0.000 1.150 283 G CA 0.969 45.997 45.100 -0.119 0.000 0.776 283 G HN 0.586 nan 8.290 nan 0.000 0.542 284 E N -0.750 119.394 120.200 -0.093 0.000 2.150 284 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 284 E C 2.009 178.614 176.600 0.009 0.000 0.985 284 E CA 0.539 56.939 56.400 -0.000 0.000 0.814 284 E CB -0.184 29.532 29.700 0.027 0.000 0.752 284 E HN 0.544 nan 8.360 nan 0.000 0.466 285 Y N 0.449 120.637 120.300 -0.188 0.000 2.114 285 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 285 Y C 1.909 177.744 175.900 -0.108 0.000 1.143 285 Y CA 1.634 59.649 58.100 -0.142 0.000 1.135 285 Y CB -0.229 38.116 38.460 -0.191 0.000 0.980 285 Y HN 0.045 nan 8.280 nan 0.000 0.499 286 Y N -0.454 119.713 120.300 -0.222 0.000 2.224 286 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 286 Y C 2.655 178.207 175.900 -0.580 0.000 1.146 286 Y CA 0.508 58.227 58.100 -0.635 0.000 1.182 286 Y CB -1.650 36.074 38.460 -1.227 0.000 0.983 286 Y HN 0.219 nan 8.280 nan 0.000 0.524 287 A N 0.378 123.124 122.820 -0.123 0.000 1.883 287 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 287 A C 2.334 179.974 177.584 0.092 0.000 1.186 287 A CA 1.969 54.144 52.037 0.231 0.000 0.624 287 A CB -0.995 18.164 19.000 0.265 0.000 0.822 287 A HN 0.560 nan 8.150 nan 0.000 0.444 288 N N -0.259 118.425 118.700 -0.026 0.000 2.244 288 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 288 N C 1.734 177.166 175.510 -0.130 0.000 1.016 288 N CA 1.389 54.409 53.050 -0.051 0.000 0.866 288 N CB -0.161 38.282 38.487 -0.073 0.000 0.980 288 N HN 0.575 nan 8.380 nan 0.000 0.430 289 I N 0.263 120.702 120.570 -0.219 0.000 2.202 289 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 289 I C 2.302 178.332 176.117 -0.145 0.000 1.091 289 I CA 0.713 61.883 61.300 -0.216 0.000 1.368 289 I CB -0.259 37.584 38.000 -0.262 0.000 1.058 289 I HN 0.024 nan 8.210 nan 0.000 0.410 290 S N -0.095 115.574 115.700 -0.050 0.000 2.382 290 S HA -0.208 4.261 4.470 -0.000 0.000 0.228 290 S C 1.977 176.474 174.600 -0.171 0.000 1.027 290 S CA 1.129 59.349 58.200 0.032 0.000 0.991 290 S CB -0.410 62.988 63.200 0.330 0.000 0.823 290 S HN 0.420 nan 8.310 nan 0.000 0.469 291 Y N 2.413 122.380 120.300 -0.555 0.000 2.145 291 Y HA -0.118 4.432 4.550 -0.000 0.000 0.286 291 Y C 2.064 177.636 175.900 -0.546 0.000 1.145 291 Y CA 1.092 58.629 58.100 -0.938 0.000 1.148 291 Y CB -0.825 37.194 38.460 -0.734 0.000 0.981 291 Y HN 0.216 nan 8.280 nan 0.000 0.507 292 L N 0.824 121.746 121.223 -0.502 0.000 2.042 292 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 292 L C 2.017 178.574 176.870 -0.522 0.000 1.076 292 L CA 2.645 57.129 54.840 -0.594 0.000 0.749 292 L CB -1.286 40.555 42.059 -0.364 0.000 0.893 292 L HN 0.358 nan 8.230 nan 0.000 0.432 293 D N -0.652 119.552 120.400 -0.327 0.000 2.104 293 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 293 D C 2.120 178.292 176.300 -0.214 0.000 0.994 293 D CA 1.566 55.422 54.000 -0.241 0.000 0.830 293 D CB -0.098 40.618 40.800 -0.139 0.000 0.959 293 D HN 0.490 nan 8.370 nan 0.000 0.452 294 A N -0.119 122.587 122.820 -0.190 0.000 1.933 294 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 294 A C 2.146 179.642 177.584 -0.148 0.000 1.175 294 A CA 1.434 53.416 52.037 -0.091 0.000 0.628 294 A CB -0.534 18.493 19.000 0.044 0.000 0.814 294 A HN 0.249 nan 8.150 nan 0.000 0.444 295 Q N -0.358 119.242 119.800 -0.334 0.000 2.123 295 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 295 Q C 2.267 178.172 176.000 -0.158 0.000 0.966 295 Q CA 1.353 56.970 55.803 -0.310 0.000 0.845 295 Q CB -1.034 27.336 28.738 -0.613 0.000 0.907 295 Q HN 0.466 nan 8.270 nan 0.000 0.439 296 V N 0.870 120.622 119.914 -0.270 0.000 2.343 296 V HA -0.197 3.922 4.120 -0.000 0.000 0.247 296 V C 2.279 178.370 176.094 -0.006 0.000 1.051 296 V CA 2.008 64.281 62.300 -0.046 0.000 1.036 296 V CB -1.221 30.514 31.823 -0.146 0.000 0.654 296 V HN 0.446 nan 8.190 nan 0.000 0.451 297 G N -0.533 108.235 108.800 -0.054 0.000 2.433 297 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 297 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 297 G C 1.611 176.526 174.900 0.025 0.000 1.186 297 G CA 1.048 46.140 45.100 -0.014 0.000 0.779 297 G HN 0.481 nan 8.290 nan 0.000 0.543 298 K N -0.189 120.228 120.400 0.028 0.000 2.173 298 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 298 K C 2.407 179.051 176.600 0.074 0.000 1.046 298 K CA 1.438 57.756 56.287 0.052 0.000 0.929 298 K CB -0.132 32.399 32.500 0.052 0.000 0.720 298 K HN 0.260 nan 8.250 nan 0.000 0.453 299 V N 0.748 120.721 119.914 0.099 0.000 2.426 299 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 299 V C 2.128 178.291 176.094 0.114 0.000 1.036 299 V CA 1.034 63.405 62.300 0.118 0.000 1.044 299 V CB -0.176 31.748 31.823 0.168 0.000 0.688 299 V HN 0.295 nan 8.190 nan 0.000 0.462 300 L N 0.010 121.295 121.223 0.103 0.000 2.131 300 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 300 L C 2.275 179.198 176.870 0.089 0.000 1.092 300 L CA 1.371 56.270 54.840 0.098 0.000 0.759 300 L CB -0.564 41.535 42.059 0.067 0.000 0.903 300 L HN 0.378 nan 8.230 nan 0.000 0.435 301 D N -0.110 120.333 120.400 0.072 0.000 2.117 301 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 301 D C 2.108 178.452 176.300 0.074 0.000 0.982 301 D CA 1.012 55.050 54.000 0.063 0.000 0.828 301 D CB 0.049 40.878 40.800 0.050 0.000 0.967 301 D HN 0.038 nan 8.370 nan 0.000 0.464 302 K N 0.535 120.983 120.400 0.079 0.000 2.032 302 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 302 K C 1.967 178.636 176.600 0.114 0.000 1.048 302 K CA 0.643 56.978 56.287 0.081 0.000 0.927 302 K CB -0.278 32.265 32.500 0.072 0.000 0.712 302 K HN 0.001 nan 8.250 nan 0.000 0.441 303 I N 1.362 122.024 120.570 0.154 0.000 2.145 303 I HA -0.334 3.836 4.170 -0.000 0.000 0.244 303 I C 2.240 178.452 176.117 0.158 0.000 1.075 303 I CA 1.716 63.140 61.300 0.207 0.000 1.332 303 I CB -1.054 37.078 38.000 0.219 0.000 1.033 303 I HN 0.311 nan 8.210 nan 0.000 0.410 304 K N 0.816 121.288 120.400 0.119 0.000 2.116 304 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 304 K C 1.665 178.312 176.600 0.078 0.000 1.052 304 K CA 1.070 57.414 56.287 0.094 0.000 0.952 304 K CB 0.028 32.574 32.500 0.076 0.000 0.729 304 K HN 0.246 nan 8.250 nan 0.000 0.446 305 A N 1.478 124.341 122.820 0.073 0.000 2.310 305 A HA 0.093 4.413 4.320 -0.000 0.000 0.230 305 A C 1.191 178.808 177.584 0.054 0.000 1.294 305 A CA 0.099 52.170 52.037 0.056 0.000 0.898 305 A CB -0.475 18.553 19.000 0.047 0.000 0.917 305 A HN 0.540 nan 8.150 nan 0.000 0.491 306 M N -5.235 114.406 119.600 0.069 0.000 2.346 306 M HA 0.410 4.890 4.480 -0.000 0.000 0.417 306 M C 0.741 177.086 176.300 0.075 0.000 1.015 306 M CA 0.675 56.013 55.300 0.063 0.000 0.968 306 M CB 0.248 32.886 32.600 0.064 0.000 1.859 306 M HN 0.748 nan 8.290 nan 0.000 0.623 307 G N 1.025 109.873 108.800 0.080 0.000 2.179 307 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 307 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 307 G C 0.435 175.389 174.900 0.091 0.000 0.990 307 G CA 0.260 45.404 45.100 0.074 0.000 0.646 307 G HN 0.452 nan 8.290 nan 0.000 0.517 308 E N 0.363 120.636 120.200 0.120 0.000 2.489 308 E HA 0.082 4.431 4.350 -0.000 0.000 0.193 308 E C 1.776 178.457 176.600 0.136 0.000 1.057 308 E CA 0.364 56.843 56.400 0.131 0.000 0.866 308 E CB 0.170 29.977 29.700 0.178 0.000 0.916 308 E HN 0.766 nan 8.360 nan 0.000 0.500 309 E N 1.209 121.486 120.200 0.128 0.000 2.097 309 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 309 E C 0.703 177.393 176.600 0.150 0.000 1.000 309 E CA 1.021 57.501 56.400 0.133 0.000 0.804 309 E CB 0.203 29.965 29.700 0.103 0.000 0.740 309 E HN 0.176 nan 8.360 nan 0.000 0.454 310 D N -0.418 120.056 120.400 0.124 0.000 2.340 310 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 310 D C 0.467 176.825 176.300 0.097 0.000 1.039 310 D CA 0.266 54.334 54.000 0.113 0.000 0.866 310 D CB 0.047 40.926 40.800 0.131 0.000 0.913 310 D HN 0.056 nan 8.370 nan 0.000 0.523 311 N N -0.286 118.531 118.700 0.195 0.000 2.299 311 N HA 0.042 4.782 4.740 -0.000 0.000 0.246 311 N C -1.351 174.282 175.510 0.204 0.000 1.254 311 N CA 0.053 53.250 53.050 0.245 0.000 0.879 311 N CB 0.907 39.459 38.487 0.108 0.000 1.214 311 N HN -0.239 nan 8.380 nan 0.000 0.510 312 T N 0.437 115.149 114.554 0.263 0.000 2.937 312 T HA 0.422 4.772 4.350 -0.000 0.000 0.297 312 T C -0.375 174.355 174.700 0.051 0.000 0.991 312 T CA -0.411 61.718 62.100 0.048 0.000 0.990 312 T CB 1.310 70.201 68.868 0.039 0.000 0.991 312 T HN -0.055 nan 8.240 nan 0.000 0.440 313 I N 3.332 123.760 120.570 -0.236 0.000 2.396 313 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 313 I C 0.045 176.146 176.117 -0.026 0.000 1.056 313 I CA -0.184 60.996 61.300 -0.201 0.000 1.365 313 I CB 0.682 38.471 38.000 -0.353 0.000 1.407 313 I HN 0.308 nan 8.210 nan 0.000 0.509 314 V N 8.067 128.014 119.914 0.055 0.000 2.394 314 V HA 0.435 4.555 4.120 -0.000 0.000 0.282 314 V C 0.092 176.206 176.094 0.034 0.000 1.031 314 V CA -0.517 61.830 62.300 0.078 0.000 0.881 314 V CB 1.390 33.290 31.823 0.128 0.000 0.982 314 V HN 0.441 nan 8.190 nan 0.000 0.451 315 I N 5.420 125.973 120.570 -0.029 0.000 2.382 315 I HA 0.404 4.574 4.170 -0.000 0.000 0.286 315 I C -0.838 175.284 176.117 0.008 0.000 1.002 315 I CA -0.298 60.911 61.300 -0.153 0.000 1.135 315 I CB 1.477 39.124 38.000 -0.588 0.000 1.288 315 I HN 0.556 nan 8.210 nan 0.000 0.448 316 F N 6.758 126.685 119.950 -0.038 0.000 2.420 316 F HA 0.718 5.245 4.527 -0.000 0.000 0.342 316 F C 0.072 175.877 175.800 0.009 0.000 1.113 316 F CA 0.215 58.226 58.000 0.018 0.000 1.059 316 F CB 1.420 40.458 39.000 0.064 0.000 1.128 316 F HN 0.436 nan 8.300 nan 0.000 0.475 317 T N 2.941 117.058 114.554 -0.728 0.000 2.665 317 T HA 0.514 4.864 4.350 -0.000 0.000 0.303 317 T C -1.724 172.693 174.700 -0.472 0.000 1.334 317 T CA -0.538 61.269 62.100 -0.489 0.000 1.011 317 T CB 1.359 70.131 68.868 -0.160 0.000 1.573 317 T HN 0.706 nan 8.240 nan 0.000 0.492 318 S N -0.309 115.319 115.700 -0.120 0.000 2.570 318 S HA 0.491 4.961 4.470 -0.000 0.000 0.286 318 S C 0.153 174.837 174.600 0.140 0.000 1.099 318 S CA -0.186 58.006 58.200 -0.014 0.000 0.913 318 S CB 1.541 64.748 63.200 0.011 0.000 1.085 318 S HN 0.804 nan 8.310 nan 0.000 0.480 319 D N 1.998 122.485 120.400 0.145 0.000 2.289 319 D HA 0.057 4.697 4.640 -0.000 0.000 0.207 319 D C 0.373 176.785 176.300 0.188 0.000 0.966 319 D CA 0.602 54.714 54.000 0.186 0.000 0.868 319 D CB -0.373 40.537 40.800 0.184 0.000 0.943 319 D HN 0.716 nan 8.370 nan 0.000 0.514 320 N N -1.409 117.396 118.700 0.175 0.000 3.185 320 N HA 0.232 4.971 4.740 -0.000 0.000 0.238 320 N C 0.027 175.629 175.510 0.154 0.000 1.451 320 N CA -0.624 52.523 53.050 0.162 0.000 0.888 320 N CB 0.753 39.336 38.487 0.160 0.000 1.413 320 N HN -0.019 nan 8.380 nan 0.000 0.511 321 G N -0.143 108.740 108.800 0.139 0.000 2.699 321 G HA2 0.373 4.333 3.960 -0.000 0.000 0.246 321 G HA3 0.373 4.333 3.960 -0.000 0.000 0.246 321 G C -2.426 172.562 174.900 0.146 0.000 1.219 321 G CA -0.469 44.715 45.100 0.140 0.000 0.866 321 G HN 0.529 nan 8.290 nan 0.000 0.572 322 P HA 0.311 nan 4.420 nan 0.000 0.280 322 P C -0.452 176.918 177.300 0.117 0.000 1.272 322 P CA -0.582 62.615 63.100 0.162 0.000 0.819 322 P CB 1.458 33.277 31.700 0.198 0.000 1.122 323 V N 1.349 121.325 119.914 0.103 0.000 2.455 323 V HA 0.197 4.317 4.120 -0.000 0.000 0.273 323 V C 1.385 177.464 176.094 -0.026 0.000 1.045 323 V CA 0.267 62.598 62.300 0.051 0.000 0.976 323 V CB 0.089 31.944 31.823 0.053 0.000 0.993 323 V HN 0.798 nan 8.190 nan 0.000 0.475 324 T N 2.937 117.478 114.554 -0.022 0.000 2.946 324 T HA 0.330 4.680 4.350 -0.000 0.000 0.295 324 T C 1.141 175.804 174.700 -0.062 0.000 1.143 324 T CA -0.545 61.518 62.100 -0.062 0.000 0.944 324 T CB 0.653 69.515 68.868 -0.010 0.000 1.800 324 T HN 0.412 nan 8.240 nan 0.000 0.590 325 R N 0.470 120.946 120.500 -0.040 0.000 2.237 325 R HA 0.089 4.428 4.340 -0.000 0.000 0.219 325 R C 1.231 177.518 176.300 -0.022 0.000 1.080 325 R CA 0.586 56.678 56.100 -0.013 0.000 0.995 325 R CB -0.178 30.110 30.300 -0.020 0.000 0.875 325 R HN 0.671 nan 8.270 nan 0.000 0.462 326 E N 1.705 121.894 120.200 -0.019 0.000 1.842 326 E HA 0.160 4.510 4.350 -0.000 0.000 0.278 326 E C -0.970 175.628 176.600 -0.003 0.000 1.171 326 E CA -0.456 55.936 56.400 -0.013 0.000 1.127 326 E CB 0.209 29.908 29.700 -0.001 0.000 1.100 326 E HN 0.213 nan 8.360 nan 0.000 0.456 327 A N 3.584 126.398 122.820 -0.010 0.000 2.401 327 A HA 0.238 4.558 4.320 -0.000 0.000 0.259 327 A C 0.632 178.194 177.584 -0.036 0.000 1.103 327 A CA -0.312 51.715 52.037 -0.017 0.000 0.789 327 A CB 0.554 19.551 19.000 -0.006 0.000 1.035 327 A HN 0.749 nan 8.150 nan 0.000 0.491 328 R N 0.503 120.968 120.500 -0.058 0.000 2.419 328 R HA 0.169 4.509 4.340 -0.000 0.000 0.235 328 R C -0.332 175.886 176.300 -0.138 0.000 0.899 328 R CA 0.263 56.328 56.100 -0.058 0.000 1.048 328 R CB 0.456 30.753 30.300 -0.006 0.000 1.182 328 R HN 0.555 nan 8.270 nan 0.000 0.544 329 K N 0.167 120.405 120.400 -0.270 0.000 2.482 329 K HA 0.161 4.481 4.320 -0.000 0.000 0.257 329 K C 0.333 176.628 176.600 -0.508 0.000 0.969 329 K CA -0.547 55.431 56.287 -0.514 0.000 0.842 329 K CB 2.277 34.134 32.500 -1.070 0.000 1.359 329 K HN -0.261 nan 8.250 nan 0.000 0.441 330 V N 1.681 121.329 119.914 -0.444 0.000 2.720 330 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 330 V C 1.358 177.326 176.094 -0.210 0.000 1.082 330 V CA 1.893 64.045 62.300 -0.248 0.000 1.101 330 V CB -0.530 31.190 31.823 -0.171 0.000 0.693 330 V HN 0.704 nan 8.190 nan 0.000 0.479 331 Y N -0.777 119.457 120.300 -0.110 0.000 2.466 331 Y HA 0.369 4.919 4.550 -0.000 0.000 0.272 331 Y C 1.780 177.719 175.900 0.066 0.000 1.169 331 Y CA 0.025 58.077 58.100 -0.079 0.000 1.285 331 Y CB -0.583 37.807 38.460 -0.117 0.000 1.078 331 Y HN 0.317 nan 8.280 nan 0.000 0.523 332 E N 1.044 121.226 120.200 -0.029 0.000 2.463 332 E HA 0.204 4.554 4.350 -0.000 0.000 0.193 332 E C -0.109 176.565 176.600 0.123 0.000 1.041 332 E CA -0.191 56.246 56.400 0.062 0.000 0.879 332 E CB 0.258 29.928 29.700 -0.049 0.000 0.997 332 E HN 0.427 nan 8.360 nan 0.000 0.478 333 L N 1.575 122.915 121.223 0.195 0.000 2.439 333 L HA 0.090 4.430 4.340 -0.000 0.000 0.269 333 L C 0.581 177.661 176.870 0.351 0.000 1.179 333 L CA -0.257 54.738 54.840 0.259 0.000 0.828 333 L CB 0.225 42.471 42.059 0.312 0.000 1.106 333 L HN 0.190 nan 8.230 nan 0.000 0.467 334 N N 1.494 120.321 118.700 0.212 0.000 2.735 334 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 334 N C -0.877 174.671 175.510 0.063 0.000 1.083 334 N CA 0.736 53.824 53.050 0.065 0.000 0.703 334 N CB -1.195 37.103 38.487 -0.315 0.000 1.005 334 N HN 0.431 nan 8.380 nan 0.000 0.550 335 L N -1.179 120.084 121.223 0.066 0.000 2.298 335 L HA 0.827 5.167 4.340 -0.000 0.000 0.268 335 L C 0.875 177.552 176.870 -0.322 0.000 1.010 335 L CA -0.692 54.087 54.840 -0.103 0.000 0.812 335 L CB 1.664 43.707 42.059 -0.027 0.000 1.331 335 L HN 0.047 nan 8.230 nan 0.000 0.450 336 A N 0.296 122.565 122.820 -0.919 0.000 2.816 336 A HA 0.457 4.777 4.320 -0.000 0.000 0.208 336 A C 0.283 177.464 177.584 -0.670 0.000 0.896 336 A CA -0.045 51.618 52.037 -0.623 0.000 1.183 336 A CB -0.185 18.590 19.000 -0.376 0.000 1.249 336 A HN 0.751 nan 8.150 nan 0.000 0.484 337 G N 0.295 108.674 108.800 -0.703 0.000 2.474 337 G HA2 0.421 4.381 3.960 -0.000 0.000 0.233 337 G HA3 0.421 4.381 3.960 -0.000 0.000 0.233 337 G C -0.269 174.679 174.900 0.080 0.000 1.278 337 G CA 0.208 45.252 45.100 -0.094 0.000 0.861 337 G HN 0.358 nan 8.290 nan 0.000 0.567 338 E N -0.051 120.273 120.200 0.208 0.000 2.256 338 E HA 0.329 4.679 4.350 -0.000 0.000 0.267 338 E C 0.389 177.103 176.600 0.191 0.000 0.892 338 E CA -0.586 55.921 56.400 0.177 0.000 0.775 338 E CB 1.841 31.658 29.700 0.195 0.000 1.207 338 E HN 0.553 nan 8.360 nan 0.000 0.420 339 T N -2.237 112.423 114.554 0.176 0.000 3.084 339 T HA 0.117 4.466 4.350 -0.000 0.000 0.270 339 T C 0.337 175.223 174.700 0.310 0.000 1.008 339 T CA -0.105 62.132 62.100 0.227 0.000 0.900 339 T CB -0.007 68.951 68.868 0.150 0.000 1.084 339 T HN 0.488 nan 8.240 nan 0.000 0.538 340 D N 1.009 121.569 120.400 0.266 0.000 2.800 340 D HA -0.126 4.514 4.640 -0.000 0.000 0.232 340 D C 1.333 177.794 176.300 0.268 0.000 1.137 340 D CA 1.707 55.873 54.000 0.276 0.000 0.718 340 D CB -1.489 39.575 40.800 0.440 0.000 1.084 340 D HN 0.955 nan 8.370 nan 0.000 0.432 341 G N -1.658 107.260 108.800 0.197 0.000 2.234 341 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 341 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 341 G C 0.548 175.622 174.900 0.291 0.000 0.987 341 G CA 0.306 45.527 45.100 0.202 0.000 0.625 341 G HN 0.602 nan 8.290 nan 0.000 0.532 342 L N 0.804 122.157 121.223 0.216 0.000 2.485 342 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 342 L C 1.470 178.359 176.870 0.032 0.000 1.207 342 L CA -0.481 54.413 54.840 0.090 0.000 0.855 342 L CB 0.419 42.462 42.059 -0.027 0.000 1.114 342 L HN 0.299 nan 8.230 nan 0.000 0.485 343 R N 1.679 122.141 120.500 -0.064 0.000 2.590 343 R HA 0.382 4.722 4.340 -0.000 0.000 0.274 343 R C 0.404 176.683 176.300 -0.034 0.000 1.061 343 R CA 0.919 56.898 56.100 -0.202 0.000 1.081 343 R CB 0.381 30.342 30.300 -0.565 0.000 0.984 343 R HN 0.875 nan 8.270 nan 0.000 0.448 344 G N 2.236 111.027 108.800 -0.015 0.000 2.760 344 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.246 344 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.246 344 G C -1.107 173.876 174.900 0.138 0.000 1.359 344 G CA -0.016 45.206 45.100 0.204 0.000 0.861 344 G HN 0.884 nan 8.290 nan 0.000 0.541 345 R N -1.579 119.015 120.500 0.158 0.000 2.902 345 R HA 0.739 5.079 4.340 -0.000 0.000 0.264 345 R C 0.096 176.469 176.300 0.122 0.000 1.059 345 R CA -0.504 55.669 56.100 0.121 0.000 0.935 345 R CB 0.481 30.840 30.300 0.097 0.000 1.325 345 R HN 0.738 nan 8.270 nan 0.000 0.438 346 K N 0.599 121.069 120.400 0.117 0.000 2.543 346 K HA -0.136 4.183 4.320 -0.000 0.000 0.279 346 K C -0.663 176.010 176.600 0.121 0.000 1.001 346 K CA 1.866 58.226 56.287 0.122 0.000 1.088 346 K CB -0.009 32.569 32.500 0.130 0.000 0.863 346 K HN 0.732 nan 8.250 nan 0.000 0.488 347 D N 0.641 121.107 120.400 0.109 0.000 1.943 347 D HA -0.176 4.464 4.640 -0.000 0.000 0.224 347 D C -0.691 175.629 176.300 0.034 0.000 1.186 347 D CA 1.313 55.365 54.000 0.087 0.000 1.453 347 D CB -1.073 39.792 40.800 0.108 0.000 1.424 347 D HN 0.710 nan 8.370 nan 0.000 0.666 348 N N 0.489 119.219 118.700 0.050 0.000 2.515 348 N HA 0.533 5.273 4.740 -0.000 0.000 0.279 348 N C 0.832 176.309 175.510 -0.056 0.000 1.164 348 N CA -0.356 52.694 53.050 0.001 0.000 0.982 348 N CB 1.230 39.816 38.487 0.165 0.000 1.170 348 N HN 0.019 nan 8.380 nan 0.000 0.474 349 L N 0.181 121.287 121.223 -0.195 0.000 2.607 349 L HA 0.245 4.584 4.340 -0.000 0.000 0.228 349 L C 0.281 177.041 176.870 -0.184 0.000 1.123 349 L CA -0.192 54.525 54.840 -0.205 0.000 0.890 349 L CB 0.051 41.988 42.059 -0.204 0.000 1.103 349 L HN 0.458 nan 8.230 nan 0.000 0.468 350 W N 1.205 122.455 121.300 -0.083 0.000 2.112 350 W HA 0.014 4.674 4.660 -0.000 0.000 0.349 350 W C 1.615 178.056 176.519 -0.131 0.000 1.289 350 W CA -0.515 56.755 57.345 -0.124 0.000 1.256 350 W CB 0.417 29.791 29.460 -0.143 0.000 1.148 350 W HN 0.074 nan 8.180 nan 0.000 0.590 351 E N 1.371 121.633 120.200 0.103 0.000 2.108 351 E HA -0.198 4.152 4.350 -0.000 0.000 0.203 351 E C 2.126 178.734 176.600 0.013 0.000 1.022 351 E CA 2.041 58.451 56.400 0.017 0.000 0.823 351 E CB -0.828 28.840 29.700 -0.053 0.000 0.744 351 E HN 0.701 nan 8.360 nan 0.000 0.456 352 G N 0.162 108.987 108.800 0.042 0.000 2.535 352 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 352 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 352 G C 1.482 176.436 174.900 0.090 0.000 1.122 352 G CA 0.893 46.031 45.100 0.064 0.000 0.769 352 G HN 0.390 nan 8.290 nan 0.000 0.549 353 G N 0.693 109.545 108.800 0.086 0.000 2.595 353 G HA2 0.146 4.106 3.960 -0.000 0.000 0.213 353 G HA3 0.146 4.106 3.960 -0.000 0.000 0.213 353 G C 1.603 176.533 174.900 0.049 0.000 1.141 353 G CA 0.770 45.916 45.100 0.078 0.000 0.806 353 G HN 0.598 nan 8.290 nan 0.000 0.530 354 I N -3.379 117.196 120.570 0.007 0.000 4.139 354 I HA 0.478 4.648 4.170 -0.000 0.000 0.320 354 I C 0.975 177.159 176.117 0.112 0.000 1.290 354 I CA -0.436 60.861 61.300 -0.005 0.000 1.253 354 I CB 0.489 38.304 38.000 -0.308 0.000 1.122 354 I HN -0.222 nan 8.210 nan 0.000 0.421 355 R N 2.888 123.423 120.500 0.059 0.000 2.298 355 R HA 0.534 4.874 4.340 -0.000 0.000 0.310 355 R C -0.814 175.505 176.300 0.032 0.000 1.068 355 R CA -0.116 55.888 56.100 -0.160 0.000 0.957 355 R CB 1.238 31.242 30.300 -0.494 0.000 1.003 355 R HN 0.321 nan 8.270 nan 0.000 0.454 356 V N 1.482 121.502 119.914 0.176 0.000 3.160 356 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 356 V C -2.646 173.623 176.094 0.291 0.000 1.181 356 V CA -2.631 59.833 62.300 0.274 0.000 1.047 356 V CB 1.952 33.920 31.823 0.242 0.000 1.068 356 V HN 0.669 nan 8.190 nan 0.000 0.441 357 P HA 0.456 nan 4.420 nan 0.000 0.269 357 P C -0.612 176.738 177.300 0.083 0.000 1.209 357 P CA 0.369 63.313 63.100 -0.260 0.000 0.776 357 P CB 1.135 32.553 31.700 -0.470 0.000 0.876 358 A N 3.507 126.486 122.820 0.264 0.000 2.465 358 A HA 0.684 5.004 4.320 -0.000 0.000 0.292 358 A C -0.998 176.876 177.584 0.484 0.000 1.041 358 A CA -0.538 51.590 52.037 0.152 0.000 0.718 358 A CB 0.857 19.583 19.000 -0.457 0.000 1.266 358 A HN 0.405 nan 8.150 nan 0.000 0.403 359 I N 2.697 123.526 120.570 0.432 0.000 2.533 359 I HA 0.507 4.677 4.170 -0.000 0.000 0.290 359 I C -0.725 175.593 176.117 0.334 0.000 1.056 359 I CA -0.463 61.076 61.300 0.400 0.000 1.057 359 I CB 2.097 40.296 38.000 0.333 0.000 1.240 359 I HN 0.686 nan 8.210 nan 0.000 0.423 360 I N 6.508 127.290 120.570 0.352 0.000 2.433 360 I HA 0.437 4.606 4.170 -0.000 0.000 0.292 360 I C -0.936 175.306 176.117 0.209 0.000 1.001 360 I CA -0.393 61.071 61.300 0.273 0.000 1.119 360 I CB 1.184 39.428 38.000 0.406 0.000 1.289 360 I HN 0.555 nan 8.210 nan 0.000 0.438 361 K N 6.693 127.200 120.400 0.178 0.000 2.471 361 K HA 0.273 4.592 4.320 -0.000 0.000 0.252 361 K C -2.030 174.720 176.600 0.250 0.000 0.938 361 K CA -0.580 55.816 56.287 0.183 0.000 0.796 361 K CB 1.679 34.265 32.500 0.144 0.000 1.161 361 K HN 0.587 nan 8.250 nan 0.000 0.425 362 Y N 4.261 124.618 120.300 0.095 0.000 2.584 362 Y HA 0.257 4.806 4.550 -0.000 0.000 0.358 362 Y C 0.342 176.332 175.900 0.149 0.000 1.028 362 Y CA -0.109 58.040 58.100 0.083 0.000 1.148 362 Y CB 0.204 38.692 38.460 0.046 0.000 1.126 362 Y HN 1.021 nan 8.280 nan 0.000 0.658 363 G N 3.365 112.278 108.800 0.188 0.000 2.675 363 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.312 363 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.312 363 G C 0.768 175.704 174.900 0.060 0.000 1.186 363 G CA 1.034 46.198 45.100 0.107 0.000 0.965 363 G HN 0.390 nan 8.290 nan 0.000 0.548 364 K N 0.143 120.549 120.400 0.010 0.000 2.483 364 K HA 0.410 4.730 4.320 -0.000 0.000 0.206 364 K C 1.440 177.955 176.600 -0.141 0.000 1.086 364 K CA 0.493 56.738 56.287 -0.071 0.000 1.052 364 K CB 0.330 32.761 32.500 -0.115 0.000 0.904 364 K HN 0.613 nan 8.250 nan 0.000 0.557 365 H N -0.332 118.626 119.070 -0.187 0.000 2.524 365 H HA 0.118 4.674 4.556 -0.000 0.000 0.282 365 H C -0.061 175.242 175.328 -0.041 0.000 1.016 365 H CA 0.745 56.688 56.048 -0.176 0.000 1.270 365 H CB 0.114 29.631 29.762 -0.409 0.000 1.394 365 H HN -0.034 nan 8.280 nan 0.000 0.568 366 L N 1.667 122.953 121.223 0.105 0.000 2.342 366 L HA 0.370 4.710 4.340 -0.000 0.000 0.271 366 L C -2.189 174.711 176.870 0.051 0.000 1.008 366 L CA -2.558 52.344 54.840 0.104 0.000 0.818 366 L CB 1.841 43.992 42.059 0.153 0.000 1.296 366 L HN -0.122 nan 8.230 nan 0.000 0.427 367 P HA -0.026 nan 4.420 nan 0.000 0.261 367 P C -1.163 176.141 177.300 0.006 0.000 1.203 367 P CA -0.099 63.008 63.100 0.011 0.000 0.767 367 P CB 0.325 32.027 31.700 0.004 0.000 0.785 368 Q N 2.452 122.253 119.800 0.002 0.000 2.324 368 Q HA 0.304 4.643 4.340 -0.000 0.000 0.257 368 Q C 1.347 177.341 176.000 -0.010 0.000 1.080 368 Q CA 0.460 56.264 55.803 0.001 0.000 0.907 368 Q CB 0.210 28.948 28.738 0.000 0.000 1.274 368 Q HN 0.881 nan 8.270 nan 0.000 0.434 369 G N 2.589 111.379 108.800 -0.017 0.000 2.134 369 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.209 369 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.209 369 G C 0.089 174.962 174.900 -0.045 0.000 0.993 369 G CA -0.089 44.992 45.100 -0.031 0.000 0.669 369 G HN 0.539 nan 8.290 nan 0.000 0.519 370 M N 0.933 120.502 119.600 -0.052 0.000 2.243 370 M HA 0.499 4.979 4.480 -0.000 0.000 0.341 370 M C -0.239 175.993 176.300 -0.113 0.000 1.130 370 M CA 0.289 55.546 55.300 -0.072 0.000 1.162 370 M CB 0.971 33.528 32.600 -0.073 0.000 1.497 370 M HN 0.045 nan 8.290 nan 0.000 0.456 371 V N 3.872 123.723 119.914 -0.106 0.000 2.419 371 V HA 0.259 4.378 4.120 -0.000 0.000 0.287 371 V C -0.437 175.601 176.094 -0.095 0.000 1.017 371 V CA -0.614 61.616 62.300 -0.116 0.000 0.844 371 V CB 1.480 33.252 31.823 -0.085 0.000 1.011 371 V HN 0.895 nan 8.190 nan 0.000 0.429 372 S N 2.895 118.508 115.700 -0.145 0.000 2.480 372 S HA 0.344 4.814 4.470 -0.000 0.000 0.286 372 S C 0.538 175.197 174.600 0.099 0.000 1.180 372 S CA -0.573 57.601 58.200 -0.043 0.000 1.075 372 S CB 0.842 63.971 63.200 -0.117 0.000 0.996 372 S HN 0.898 nan 8.310 nan 0.000 0.487 373 D N 2.946 123.410 120.400 0.107 0.000 2.424 373 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 373 D C -0.282 176.106 176.300 0.148 0.000 1.150 373 D CA -0.231 53.846 54.000 0.129 0.000 0.831 373 D CB -0.226 40.623 40.800 0.082 0.000 0.981 373 D HN 0.403 nan 8.370 nan 0.000 0.500 374 T N 2.564 117.231 114.554 0.189 0.000 2.814 374 T HA 0.280 4.630 4.350 -0.000 0.000 0.297 374 T C -2.517 172.306 174.700 0.204 0.000 0.956 374 T CA -1.132 61.076 62.100 0.180 0.000 1.123 374 T CB 1.282 70.263 68.868 0.189 0.000 0.902 374 T HN 0.002 nan 8.240 nan 0.000 0.528 375 P HA 0.214 nan 4.420 nan 0.000 0.264 375 P C -0.479 176.916 177.300 0.158 0.000 1.229 375 P CA -0.199 63.022 63.100 0.201 0.000 0.780 375 P CB 0.114 31.917 31.700 0.172 0.000 0.808 376 V N 2.647 122.663 119.914 0.169 0.000 3.102 376 V HA 0.842 4.962 4.120 -0.000 0.000 0.312 376 V C -0.868 175.294 176.094 0.113 0.000 1.135 376 V CA -1.250 61.096 62.300 0.076 0.000 1.022 376 V CB 2.031 33.790 31.823 -0.106 0.000 1.056 376 V HN 0.590 nan 8.190 nan 0.000 0.436 377 Y N -0.791 119.357 120.300 -0.253 0.000 2.728 377 Y HA 0.791 5.340 4.550 -0.000 0.000 0.330 377 Y C 1.146 176.791 175.900 -0.425 0.000 1.234 377 Y CA -0.819 57.028 58.100 -0.422 0.000 1.070 377 Y CB 1.325 39.716 38.460 -0.115 0.000 1.300 377 Y HN 0.840 nan 8.280 nan 0.000 0.467 378 G N 0.925 109.512 108.800 -0.355 0.000 2.462 378 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 378 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 378 G C 0.950 175.706 174.900 -0.240 0.000 1.121 378 G CA 0.998 46.054 45.100 -0.074 0.000 0.758 378 G HN 0.595 nan 8.290 nan 0.000 0.559 379 L N 0.417 121.215 121.223 -0.707 0.000 2.465 379 L HA 0.030 4.370 4.340 -0.000 0.000 0.224 379 L C 1.748 178.419 176.870 -0.332 0.000 1.145 379 L CA 0.459 54.961 54.840 -0.564 0.000 0.834 379 L CB -0.181 41.354 42.059 -0.873 0.000 0.944 379 L HN 0.083 nan 8.230 nan 0.000 0.451 380 D N -0.508 119.663 120.400 -0.382 0.000 2.277 380 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 380 D C 1.923 178.128 176.300 -0.159 0.000 0.962 380 D CA 0.843 54.692 54.000 -0.251 0.000 0.865 380 D CB -0.013 40.594 40.800 -0.322 0.000 0.939 380 D HN 0.390 nan 8.370 nan 0.000 0.510 381 W N 0.676 121.967 121.300 -0.015 0.000 2.363 381 W HA -0.145 4.515 4.660 0.000 0.000 0.296 381 W C 2.375 178.867 176.519 -0.044 0.000 1.212 381 W CA -0.118 57.219 57.345 -0.012 0.000 1.260 381 W CB -0.266 29.204 29.460 0.016 0.000 1.131 381 W HN -0.055 nan 8.180 nan 0.000 0.530 382 M N 1.516 121.216 119.600 0.168 0.000 2.065 382 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 382 M C -0.855 175.404 176.300 -0.069 0.000 1.071 382 M CA 1.944 57.279 55.300 0.058 0.000 1.109 382 M CB -1.852 30.782 32.600 0.056 0.000 1.313 382 M HN -0.307 nan 8.290 nan 0.000 0.408 383 P HA -0.045 nan 4.420 nan 0.000 0.223 383 P C 1.091 178.305 177.300 -0.144 0.000 1.151 383 P CA 1.350 64.338 63.100 -0.187 0.000 0.787 383 P CB -0.334 31.271 31.700 -0.158 0.000 0.788 384 T N 0.924 115.449 114.554 -0.049 0.000 2.701 384 T HA -0.038 4.311 4.350 -0.000 0.000 0.263 384 T C 1.938 176.612 174.700 -0.043 0.000 1.040 384 T CA 1.113 63.218 62.100 0.008 0.000 1.147 384 T CB -0.826 68.130 68.868 0.146 0.000 0.865 384 T HN 0.064 nan 8.240 nan 0.000 0.426 385 L N 0.888 122.091 121.223 -0.033 0.000 2.201 385 L HA 0.010 4.350 4.340 -0.000 0.000 0.212 385 L C 2.876 179.446 176.870 -0.501 0.000 1.105 385 L CA 0.746 55.510 54.840 -0.125 0.000 0.775 385 L CB -0.565 41.495 42.059 0.001 0.000 0.913 385 L HN 0.233 nan 8.230 nan 0.000 0.440 386 A N -0.246 122.130 122.820 -0.740 0.000 2.067 386 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 386 A C 2.300 179.458 177.584 -0.710 0.000 1.158 386 A CA 1.616 52.875 52.037 -1.297 0.000 0.661 386 A CB -0.218 18.294 19.000 -0.814 0.000 0.801 386 A HN 0.215 nan 8.150 nan 0.000 0.452 387 K N -1.015 119.150 120.400 -0.391 0.000 2.166 387 K HA 0.253 4.573 4.320 -0.000 0.000 0.201 387 K C 1.692 178.196 176.600 -0.161 0.000 1.052 387 K CA 1.039 57.195 56.287 -0.219 0.000 0.969 387 K CB -0.170 32.257 32.500 -0.121 0.000 0.761 387 K HN 0.424 nan 8.250 nan 0.000 0.459 388 M N -0.707 118.795 119.600 -0.163 0.000 2.514 388 M HA 0.144 4.624 4.480 -0.000 0.000 0.258 388 M C 1.123 177.351 176.300 -0.120 0.000 1.119 388 M CA 0.938 56.179 55.300 -0.098 0.000 1.111 388 M CB 0.400 32.946 32.600 -0.090 0.000 1.390 388 M HN 0.034 nan 8.290 nan 0.000 0.475 389 M N -1.222 118.284 119.600 -0.158 0.000 2.306 389 M HA 0.250 4.730 4.480 -0.000 0.000 0.292 389 M C -0.544 175.783 176.300 0.046 0.000 1.018 389 M CA -0.031 55.256 55.300 -0.021 0.000 1.007 389 M CB 0.310 32.973 32.600 0.106 0.000 1.510 389 M HN 0.092 nan 8.290 nan 0.000 0.537 390 N N 1.902 120.536 118.700 -0.110 0.000 2.621 390 N HA -0.168 4.572 4.740 -0.000 0.000 0.269 390 N C -1.426 174.122 175.510 0.063 0.000 1.154 390 N CA 0.600 53.616 53.050 -0.055 0.000 0.696 390 N CB -1.137 37.365 38.487 0.024 0.000 0.878 390 N HN 0.514 nan 8.380 nan 0.000 0.550 391 F N -1.558 118.356 119.950 -0.061 0.000 2.613 391 F HA 0.625 5.152 4.527 -0.000 0.000 0.310 391 F C -0.315 175.435 175.800 -0.084 0.000 1.085 391 F CA -1.469 56.488 58.000 -0.071 0.000 0.945 391 F CB 1.280 40.218 39.000 -0.103 0.000 1.298 391 F HN -0.046 nan 8.300 nan 0.000 0.455 392 K N 2.528 123.008 120.400 0.134 0.000 2.110 392 K HA 0.660 4.980 4.320 -0.000 0.000 0.263 392 K C -1.108 175.531 176.600 0.065 0.000 0.975 392 K CA -0.660 55.645 56.287 0.030 0.000 0.895 392 K CB 1.937 34.448 32.500 0.019 0.000 1.060 392 K HN 0.820 nan 8.250 nan 0.000 0.448 393 L N 2.664 123.858 121.223 -0.048 0.000 2.371 393 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 393 L C -1.932 174.958 176.870 0.033 0.000 1.124 393 L CA -2.295 52.483 54.840 -0.104 0.000 0.816 393 L CB 0.463 42.262 42.059 -0.434 0.000 1.129 393 L HN 0.503 nan 8.230 nan 0.000 0.448 394 P HA -0.011 nan 4.420 nan 0.000 0.265 394 P C 0.306 177.754 177.300 0.246 0.000 1.187 394 P CA 0.116 63.336 63.100 0.200 0.000 0.766 394 P CB 0.469 32.317 31.700 0.247 0.000 0.820 395 T N -3.328 111.310 114.554 0.140 0.000 3.085 395 T HA 0.031 4.381 4.350 -0.000 0.000 0.264 395 T C 0.646 175.390 174.700 0.073 0.000 1.019 395 T CA -0.179 61.990 62.100 0.114 0.000 0.910 395 T CB -0.265 68.643 68.868 0.067 0.000 1.059 395 T HN 0.390 nan 8.240 nan 0.000 0.542 396 D N 2.061 122.497 120.400 0.060 0.000 2.328 396 D HA 0.007 4.647 4.640 -0.000 0.000 0.221 396 D C 0.716 177.007 176.300 -0.016 0.000 1.072 396 D CA -0.345 53.666 54.000 0.018 0.000 0.850 396 D CB 0.077 40.884 40.800 0.012 0.000 0.922 396 D HN 0.654 nan 8.370 nan 0.000 0.516 397 R N -1.552 118.930 120.500 -0.030 0.000 2.643 397 R HA 0.454 4.794 4.340 -0.000 0.000 0.269 397 R C -1.229 174.948 176.300 -0.204 0.000 1.037 397 R CA -0.734 55.275 56.100 -0.153 0.000 0.894 397 R CB 0.286 30.425 30.300 -0.269 0.000 1.238 397 R HN -0.259 nan 8.270 nan 0.000 0.459 398 T N 2.634 117.062 114.554 -0.211 0.000 2.884 398 T HA 0.331 4.681 4.350 -0.000 0.000 0.298 398 T C -0.563 173.942 174.700 -0.325 0.000 0.998 398 T CA 0.282 62.297 62.100 -0.142 0.000 1.124 398 T CB 0.049 68.873 68.868 -0.073 0.000 0.931 398 T HN 0.261 nan 8.240 nan 0.000 0.531 399 F N 0.799 120.752 119.950 0.006 0.000 2.523 399 F HA 0.395 4.922 4.527 -0.000 0.000 0.329 399 F C 1.277 177.090 175.800 0.021 0.000 1.061 399 F CA -0.870 57.134 58.000 0.006 0.000 0.967 399 F CB 1.659 40.657 39.000 -0.002 0.000 1.218 399 F HN 0.536 nan 8.300 nan 0.000 0.480 400 D N 0.479 121.008 120.400 0.216 0.000 2.455 400 D HA 0.135 4.774 4.640 -0.000 0.000 0.228 400 D C 0.995 177.396 176.300 0.168 0.000 1.070 400 D CA 0.338 54.451 54.000 0.188 0.000 0.881 400 D CB 0.568 41.471 40.800 0.170 0.000 1.087 400 D HN 0.642 nan 8.370 nan 0.000 0.498 401 G N 0.336 109.195 108.800 0.098 0.000 2.543 401 G HA2 0.419 4.379 3.960 -0.000 0.000 0.290 401 G HA3 0.419 4.379 3.960 -0.000 0.000 0.290 401 G C -0.153 174.777 174.900 0.050 0.000 1.310 401 G CA -0.217 44.913 45.100 0.051 0.000 1.025 401 G HN -0.106 nan 8.290 nan 0.000 0.502 402 E N -1.157 119.057 120.200 0.024 0.000 2.393 402 E HA 0.375 4.724 4.350 -0.000 0.000 0.273 402 E C -0.841 175.742 176.600 -0.029 0.000 0.918 402 E CA -0.682 55.719 56.400 0.002 0.000 0.773 402 E CB 2.223 31.937 29.700 0.024 0.000 1.275 402 E HN 0.404 nan 8.360 nan 0.000 0.451 403 S N 1.036 116.718 115.700 -0.029 0.000 2.549 403 S HA 0.104 4.574 4.470 -0.000 0.000 0.283 403 S C 0.797 175.397 174.600 0.001 0.000 1.320 403 S CA -0.228 57.957 58.200 -0.025 0.000 1.058 403 S CB 0.181 63.364 63.200 -0.029 0.000 0.882 403 S HN 0.424 nan 8.310 nan 0.000 0.498 404 L N 5.432 126.664 121.223 0.016 0.000 2.629 404 L HA 0.118 4.458 4.340 -0.000 0.000 0.230 404 L C 1.736 178.686 176.870 0.133 0.000 1.151 404 L CA -0.092 54.788 54.840 0.066 0.000 0.924 404 L CB -0.272 41.802 42.059 0.025 0.000 1.137 404 L HN 0.536 nan 8.230 nan 0.000 0.457 405 V N 1.316 121.285 119.914 0.093 0.000 2.295 405 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 405 V C -0.105 176.042 176.094 0.088 0.000 1.049 405 V CA 2.023 64.378 62.300 0.092 0.000 1.024 405 V CB -1.051 30.804 31.823 0.054 0.000 0.648 405 V HN 0.372 nan 8.190 nan 0.000 0.447 406 P HA -0.100 nan 4.420 nan 0.000 0.218 406 P C 1.843 179.195 177.300 0.085 0.000 1.148 406 P CA 1.151 64.291 63.100 0.066 0.000 0.822 406 P CB -0.047 31.684 31.700 0.052 0.000 0.784 407 V N -0.599 119.385 119.914 0.117 0.000 2.307 407 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 407 V C 2.362 178.538 176.094 0.137 0.000 1.045 407 V CA 1.611 64.002 62.300 0.151 0.000 1.024 407 V CB -1.187 30.784 31.823 0.248 0.000 0.651 407 V HN 0.063 nan 8.190 nan 0.000 0.449 408 L N -0.394 120.924 121.223 0.157 0.000 2.275 408 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 408 L C 1.963 178.888 176.870 0.093 0.000 1.119 408 L CA 1.314 56.234 54.840 0.134 0.000 0.790 408 L CB -0.347 41.818 42.059 0.177 0.000 0.919 408 L HN 0.383 nan 8.230 nan 0.000 0.443 409 E N -0.363 119.887 120.200 0.083 0.000 2.451 409 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 409 E C -0.256 176.374 176.600 0.050 0.000 1.027 409 E CA -0.145 56.292 56.400 0.062 0.000 0.914 409 E CB 0.412 30.147 29.700 0.058 0.000 1.054 409 E HN 0.275 nan 8.360 nan 0.000 0.461 410 Q N 0.266 120.097 119.800 0.053 0.000 2.470 410 Q HA -0.214 4.126 4.340 -0.000 0.000 0.294 410 Q C -0.774 175.251 176.000 0.041 0.000 1.356 410 Q CA 0.847 56.675 55.803 0.043 0.000 0.805 410 Q CB -1.131 27.625 28.738 0.030 0.000 1.157 410 Q HN 0.130 nan 8.270 nan 0.000 0.431 411 K N -0.480 119.949 120.400 0.049 0.000 2.352 411 K HA 0.772 5.092 4.320 -0.000 0.000 0.240 411 K C -0.406 176.222 176.600 0.048 0.000 1.017 411 K CA -0.427 55.886 56.287 0.043 0.000 0.851 411 K CB 1.301 33.825 32.500 0.039 0.000 1.261 411 K HN 0.164 nan 8.250 nan 0.000 0.451 412 A N 2.006 124.851 122.820 0.041 0.000 2.475 412 A HA 0.128 4.447 4.320 -0.000 0.000 0.293 412 A C -0.414 177.197 177.584 0.044 0.000 1.252 412 A CA -0.107 51.955 52.037 0.043 0.000 0.920 412 A CB -0.657 18.364 19.000 0.035 0.000 1.125 412 A HN 0.547 nan 8.150 nan 0.000 0.528 413 L N 2.881 124.136 121.223 0.054 0.000 2.456 413 L HA 0.374 4.714 4.340 -0.000 0.000 0.277 413 L C 0.150 177.046 176.870 0.043 0.000 1.124 413 L CA 0.319 55.190 54.840 0.052 0.000 0.880 413 L CB 0.251 42.349 42.059 0.066 0.000 1.192 413 L HN 0.466 nan 8.230 nan 0.000 0.463 414 K N 5.184 125.604 120.400 0.033 0.000 2.334 414 K HA 0.418 4.738 4.320 -0.000 0.000 0.265 414 K C -0.698 175.915 176.600 0.023 0.000 1.039 414 K CA -0.240 56.063 56.287 0.028 0.000 0.920 414 K CB 0.574 33.088 32.500 0.022 0.000 1.160 414 K HN 0.554 nan 8.250 nan 0.000 0.451 415 R N 2.415 122.929 120.500 0.024 0.000 2.308 415 R HA 0.105 4.445 4.340 -0.000 0.000 0.305 415 R C 0.801 177.107 176.300 0.010 0.000 1.053 415 R CA -0.295 55.818 56.100 0.020 0.000 0.957 415 R CB 1.100 31.413 30.300 0.021 0.000 1.022 415 R HN 0.728 nan 8.270 nan 0.000 0.461 416 E N 2.521 122.722 120.200 0.002 0.000 2.158 416 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 416 E C -0.344 176.237 176.600 -0.031 0.000 0.982 416 E CA 1.043 57.432 56.400 -0.017 0.000 0.823 416 E CB 0.467 30.151 29.700 -0.026 0.000 0.766 416 E HN 0.331 nan 8.360 nan 0.000 0.468 417 K N 1.239 121.631 120.400 -0.013 0.000 2.259 417 K HA 0.384 4.704 4.320 -0.000 0.000 0.249 417 K C -2.611 174.024 176.600 0.058 0.000 0.942 417 K CA -2.219 54.064 56.287 -0.007 0.000 0.816 417 K CB 1.850 34.337 32.500 -0.022 0.000 1.155 417 K HN -0.085 nan 8.250 nan 0.000 0.428 418 P HA 0.101 nan 4.420 nan 0.000 0.274 418 P C -0.611 176.672 177.300 -0.028 0.000 1.237 418 P CA -0.426 62.706 63.100 0.053 0.000 0.793 418 P CB 0.459 32.214 31.700 0.092 0.000 0.977 419 L N 1.655 122.707 121.223 -0.285 0.000 2.456 419 L HA 0.244 4.584 4.340 -0.000 0.000 0.272 419 L C 0.606 177.033 176.870 -0.739 0.000 1.189 419 L CA -0.009 54.353 54.840 -0.796 0.000 0.846 419 L CB -0.182 41.231 42.059 -1.076 0.000 1.111 419 L HN 0.336 nan 8.230 nan 0.000 0.475 420 I N 2.731 122.756 120.570 -0.909 0.000 2.466 420 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 420 I C -1.078 174.568 176.117 -0.785 0.000 1.026 420 I CA 0.063 60.935 61.300 -0.713 0.000 1.078 420 I CB 1.208 38.675 38.000 -0.889 0.000 1.249 420 I HN 0.227 nan 8.210 nan 0.000 0.429 421 F N 5.009 124.884 119.950 -0.124 0.000 2.577 421 F HA 0.927 5.454 4.527 -0.000 0.000 0.318 421 F C 0.543 176.190 175.800 -0.256 0.000 1.065 421 F CA -0.845 57.060 58.000 -0.158 0.000 0.929 421 F CB 2.327 41.241 39.000 -0.142 0.000 1.237 421 F HN 0.518 nan 8.300 nan 0.000 0.468 422 G N 1.168 109.836 108.800 -0.219 0.000 2.732 422 G HA2 0.646 4.606 3.960 -0.000 0.000 0.296 422 G HA3 0.646 4.606 3.960 -0.000 0.000 0.296 422 G C -2.537 172.202 174.900 -0.269 0.000 1.448 422 G CA -0.572 44.194 45.100 -0.555 0.000 0.911 422 G HN 0.536 nan 8.290 nan 0.000 0.528 423 I N 0.687 121.175 120.570 -0.137 0.000 2.692 423 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 423 I C -1.804 174.238 176.117 -0.125 0.000 1.200 423 I CA -0.893 60.379 61.300 -0.047 0.000 1.036 423 I CB 2.648 40.598 38.000 -0.083 0.000 1.258 423 I HN 0.385 nan 8.210 nan 0.000 0.421 424 D N 7.713 127.965 120.400 -0.246 0.000 2.485 424 D HA 0.317 4.957 4.640 -0.000 0.000 0.256 424 D C -1.010 174.958 176.300 -0.553 0.000 1.141 424 D CA -0.046 53.698 54.000 -0.426 0.000 0.942 424 D CB 0.420 40.861 40.800 -0.598 0.000 1.003 424 D HN 0.525 nan 8.370 nan 0.000 0.507 425 M N 4.971 124.291 119.600 -0.466 0.000 2.065 425 M HA 0.360 4.839 4.480 -0.000 0.000 0.308 425 M C -2.704 173.361 176.300 -0.391 0.000 0.939 425 M CA -1.742 53.236 55.300 -0.536 0.000 0.890 425 M CB 1.641 34.037 32.600 -0.340 0.000 1.383 425 M HN 0.021 nan 8.290 nan 0.000 0.381 426 P HA 0.281 nan 4.420 nan 0.000 0.277 426 P C -0.360 176.701 177.300 -0.398 0.000 1.271 426 P CA 0.216 62.905 63.100 -0.685 0.000 0.795 426 P CB 0.314 31.210 31.700 -1.339 0.000 1.101 427 F N -4.456 115.527 119.950 0.056 0.000 2.953 427 F HA -0.188 4.339 4.527 -0.000 0.000 0.292 427 F C 0.564 176.421 175.800 0.096 0.000 0.747 427 F CA 0.573 58.624 58.000 0.085 0.000 1.222 427 F CB -2.646 36.426 39.000 0.120 0.000 1.457 427 F HN 0.222 nan 8.300 nan 0.000 0.383 428 Q N 1.261 121.170 119.800 0.181 0.000 2.299 428 Q HA 0.181 4.521 4.340 -0.000 0.000 0.246 428 Q C 1.287 177.354 176.000 0.113 0.000 0.935 428 Q CA -0.176 55.719 55.803 0.153 0.000 0.887 428 Q CB 0.901 29.710 28.738 0.119 0.000 1.223 428 Q HN 0.123 nan 8.270 nan 0.000 0.439 429 D N 0.892 121.352 120.400 0.099 0.000 2.103 429 D HA -0.137 4.503 4.640 -0.000 0.000 0.190 429 D C -0.367 175.974 176.300 0.069 0.000 0.997 429 D CA 1.542 55.586 54.000 0.074 0.000 0.833 429 D CB 0.205 41.038 40.800 0.055 0.000 0.961 429 D HN 0.433 nan 8.370 nan 0.000 0.447 430 D N 1.034 121.480 120.400 0.075 0.000 2.359 430 D HA 0.227 4.867 4.640 -0.000 0.000 0.230 430 D C -2.325 174.017 176.300 0.070 0.000 1.118 430 D CA -1.498 52.551 54.000 0.082 0.000 0.844 430 D CB 1.145 42.009 40.800 0.107 0.000 1.059 430 D HN -0.023 nan 8.370 nan 0.000 0.493 431 P HA -0.041 nan 4.420 nan 0.000 0.261 431 P C 0.268 177.566 177.300 -0.004 0.000 1.173 431 P CA 0.154 63.264 63.100 0.017 0.000 0.760 431 P CB 0.338 32.041 31.700 0.005 0.000 0.783 432 T N 0.002 114.534 114.554 -0.037 0.000 2.849 432 T HA 0.264 4.614 4.350 -0.000 0.000 0.284 432 T C 0.067 174.707 174.700 -0.099 0.000 1.004 432 T CA -0.804 61.252 62.100 -0.072 0.000 1.021 432 T CB 0.719 69.536 68.868 -0.084 0.000 1.013 432 T HN 0.200 nan 8.240 nan 0.000 0.527 433 D N 0.129 120.450 120.400 -0.132 0.000 2.332 433 D HA 0.263 4.903 4.640 -0.000 0.000 0.252 433 D C 0.835 177.069 176.300 -0.110 0.000 1.050 433 D CA -0.535 53.395 54.000 -0.116 0.000 0.970 433 D CB 2.007 42.726 40.800 -0.135 0.000 1.141 433 D HN 0.880 nan 8.370 nan 0.000 0.485 434 E N -0.161 120.002 120.200 -0.061 0.000 2.290 434 E HA 0.054 4.404 4.350 -0.000 0.000 0.199 434 E C -0.507 175.976 176.600 -0.195 0.000 0.912 434 E CA 0.095 56.428 56.400 -0.111 0.000 0.924 434 E CB 0.588 30.268 29.700 -0.033 0.000 0.901 434 E HN 0.366 nan 8.360 nan 0.000 0.487 435 W N -0.127 121.138 121.300 -0.058 0.000 2.936 435 W HA 0.703 5.363 4.660 -0.000 0.000 0.338 435 W C -0.961 175.482 176.519 -0.126 0.000 1.121 435 W CA -0.726 56.576 57.345 -0.071 0.000 1.209 435 W CB 1.878 31.315 29.460 -0.038 0.000 1.420 435 W HN -0.099 nan 8.180 nan 0.000 0.516 436 A N 2.882 125.829 122.820 0.210 0.000 2.422 436 A HA 0.898 5.217 4.320 -0.000 0.000 0.302 436 A C -1.284 176.422 177.584 0.203 0.000 1.041 436 A CA -0.837 51.290 52.037 0.150 0.000 0.708 436 A CB 0.868 19.929 19.000 0.102 0.000 1.257 436 A HN 0.713 nan 8.150 nan 0.000 0.414 437 I N -0.674 119.972 120.570 0.127 0.000 2.509 437 I HA 0.894 5.064 4.170 -0.000 0.000 0.293 437 I C -0.368 175.806 176.117 0.096 0.000 1.020 437 I CA -0.993 60.359 61.300 0.088 0.000 1.088 437 I CB 2.012 40.075 38.000 0.105 0.000 1.267 437 I HN 0.553 nan 8.210 nan 0.000 0.430 438 R N 3.102 123.629 120.500 0.044 0.000 2.388 438 R HA 0.474 4.814 4.340 -0.000 0.000 0.314 438 R C -1.784 174.538 176.300 0.037 0.000 0.959 438 R CA -0.250 55.877 56.100 0.046 0.000 0.851 438 R CB 1.039 31.339 30.300 0.000 0.000 1.168 438 R HN 0.781 nan 8.270 nan 0.000 0.472 439 D N 3.758 124.226 120.400 0.113 0.000 2.440 439 D HA 0.493 5.133 4.640 -0.000 0.000 0.252 439 D C 0.642 177.056 176.300 0.190 0.000 1.180 439 D CA 0.888 54.962 54.000 0.122 0.000 0.894 439 D CB 1.116 41.986 40.800 0.115 0.000 1.111 439 D HN 0.720 nan 8.370 nan 0.000 0.544 440 G N 4.311 113.188 108.800 0.129 0.000 2.557 440 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.292 440 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.292 440 G C 0.742 175.693 174.900 0.084 0.000 1.162 440 G CA 0.423 45.599 45.100 0.127 0.000 0.964 440 G HN 0.515 nan 8.290 nan 0.000 0.541 441 D N 0.504 120.922 120.400 0.032 0.000 2.348 441 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 441 D C 0.706 176.890 176.300 -0.193 0.000 0.998 441 D CA 0.302 54.211 54.000 -0.151 0.000 0.873 441 D CB 0.027 40.629 40.800 -0.331 0.000 0.925 441 D HN 0.379 nan 8.370 nan 0.000 0.524 442 W N 1.714 123.042 121.300 0.046 0.000 2.316 442 W HA 0.347 5.007 4.660 -0.000 0.000 0.321 442 W C 0.756 177.310 176.519 0.058 0.000 1.203 442 W CA -0.675 56.704 57.345 0.056 0.000 1.214 442 W CB 1.093 30.579 29.460 0.043 0.000 1.169 442 W HN -0.440 nan 8.180 nan 0.000 0.561 443 K N 4.264 124.855 120.400 0.319 0.000 2.541 443 K HA 0.499 4.819 4.320 -0.000 0.000 0.250 443 K C -1.394 175.333 176.600 0.211 0.000 0.950 443 K CA -0.719 55.704 56.287 0.227 0.000 0.805 443 K CB 1.335 33.955 32.500 0.199 0.000 1.166 443 K HN 0.672 nan 8.250 nan 0.000 0.430 444 M N 6.610 126.292 119.600 0.138 0.000 2.294 444 M HA 0.452 4.932 4.480 -0.000 0.000 0.335 444 M C -1.503 174.813 176.300 0.026 0.000 1.079 444 M CA -0.730 54.608 55.300 0.063 0.000 0.982 444 M CB 1.056 33.675 32.600 0.033 0.000 1.651 444 M HN 0.581 nan 8.290 nan 0.000 0.437 445 I N 5.777 126.362 120.570 0.024 0.000 2.354 445 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 445 I C -0.604 175.447 176.117 -0.109 0.000 0.989 445 I CA -0.853 60.449 61.300 0.004 0.000 1.188 445 I CB 1.571 39.643 38.000 0.120 0.000 1.342 445 I HN 0.555 nan 8.210 nan 0.000 0.457 446 I N 5.078 125.546 120.570 -0.170 0.000 2.336 446 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 446 I C 0.069 176.130 176.117 -0.094 0.000 0.991 446 I CA -0.562 60.597 61.300 -0.235 0.000 1.227 446 I CB 1.073 38.743 38.000 -0.550 0.000 1.366 446 I HN 0.584 nan 8.210 nan 0.000 0.466 447 D N 6.240 126.575 120.400 -0.109 0.000 2.380 447 D HA 0.100 4.740 4.640 -0.000 0.000 0.254 447 D C 0.754 177.057 176.300 0.005 0.000 1.288 447 D CA -0.232 53.724 54.000 -0.073 0.000 1.008 447 D CB 0.664 41.394 40.800 -0.116 0.000 1.099 447 D HN 0.400 nan 8.370 nan 0.000 0.537 448 R N -1.254 119.236 120.500 -0.017 0.000 2.307 448 R HA 0.094 4.434 4.340 -0.000 0.000 0.199 448 R C 0.470 176.783 176.300 0.022 0.000 1.000 448 R CA 0.436 56.535 56.100 -0.001 0.000 1.023 448 R CB -0.478 29.781 30.300 -0.067 0.000 0.908 448 R HN 0.483 nan 8.270 nan 0.000 0.473 449 N N 0.508 119.218 118.700 0.016 0.000 2.251 449 N HA 0.031 4.771 4.740 -0.000 0.000 0.217 449 N C -0.287 175.261 175.510 0.063 0.000 1.124 449 N CA -0.199 52.866 53.050 0.025 0.000 0.843 449 N CB 0.479 38.963 38.487 -0.005 0.000 1.024 449 N HN 0.024 nan 8.380 nan 0.000 0.501 450 N N 0.444 119.214 118.700 0.116 0.000 2.828 450 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 450 N C -1.008 174.605 175.510 0.172 0.000 1.044 450 N CA 0.996 54.168 53.050 0.203 0.000 0.851 450 N CB -0.546 38.080 38.487 0.232 0.000 1.136 450 N HN 0.293 nan 8.380 nan 0.000 0.572 451 K N 0.318 120.726 120.400 0.013 0.000 2.130 451 K HA 0.379 4.699 4.320 -0.000 0.000 0.268 451 K C -2.521 173.956 176.600 -0.206 0.000 0.983 451 K CA -1.882 54.331 56.287 -0.124 0.000 0.893 451 K CB 1.018 33.436 32.500 -0.137 0.000 1.066 451 K HN -0.043 nan 8.250 nan 0.000 0.450 452 P HA 0.044 nan 4.420 nan 0.000 0.271 452 P C -0.313 176.809 177.300 -0.297 0.000 1.233 452 P CA 0.155 63.079 63.100 -0.293 0.000 0.764 452 P CB 0.894 32.402 31.700 -0.320 0.000 0.825 453 K N 2.570 122.763 120.400 -0.344 0.000 2.262 453 K HA 0.083 4.403 4.320 -0.000 0.000 0.200 453 K C -0.272 175.910 176.600 -0.696 0.000 1.058 453 K CA 0.668 56.614 56.287 -0.568 0.000 0.974 453 K CB 0.310 32.359 32.500 -0.751 0.000 0.910 453 K HN 0.347 nan 8.250 nan 0.000 0.484 454 Y N 0.190 120.388 120.300 -0.170 0.000 2.462 454 Y HA 0.461 5.011 4.550 -0.000 0.000 0.346 454 Y C -1.035 174.651 175.900 -0.357 0.000 0.976 454 Y CA -1.391 56.527 58.100 -0.304 0.000 1.044 454 Y CB 1.808 40.096 38.460 -0.286 0.000 1.230 454 Y HN -0.145 nan 8.280 nan 0.000 0.455 455 L N 3.900 124.942 121.223 -0.301 0.000 2.406 455 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 455 L C -2.148 174.581 176.870 -0.235 0.000 0.980 455 L CA -0.897 53.847 54.840 -0.160 0.000 0.831 455 L CB 0.744 42.806 42.059 0.006 0.000 1.253 455 L HN 0.518 nan 8.230 nan 0.000 0.406 456 Y N 2.812 123.246 120.300 0.224 0.000 2.499 456 Y HA 0.493 5.042 4.550 -0.000 0.000 0.347 456 Y C 0.134 176.056 175.900 0.036 0.000 0.987 456 Y CA -0.914 57.263 58.100 0.127 0.000 1.044 456 Y CB 1.633 40.139 38.460 0.076 0.000 1.245 456 Y HN 0.558 nan 8.280 nan 0.000 0.461 457 N N 2.858 121.553 118.700 -0.009 0.000 2.527 457 N HA 0.197 4.937 4.740 -0.000 0.000 0.236 457 N C 0.226 175.609 175.510 -0.211 0.000 0.999 457 N CA 0.035 52.833 53.050 -0.420 0.000 0.935 457 N CB 0.785 38.798 38.487 -0.790 0.000 1.132 457 N HN 0.837 nan 8.380 nan 0.000 0.511 458 L N 2.782 123.907 121.223 -0.163 0.000 2.362 458 L HA -0.084 4.256 4.340 -0.000 0.000 0.219 458 L C 2.383 179.163 176.870 -0.150 0.000 1.134 458 L CA 0.802 55.566 54.840 -0.127 0.000 0.807 458 L CB -0.051 41.961 42.059 -0.079 0.000 0.927 458 L HN 0.529 nan 8.230 nan 0.000 0.447 459 K N 0.428 120.722 120.400 -0.176 0.000 2.031 459 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 459 K C 2.207 178.735 176.600 -0.120 0.000 1.049 459 K CA 1.708 57.911 56.287 -0.140 0.000 0.939 459 K CB 0.068 32.479 32.500 -0.148 0.000 0.717 459 K HN 0.326 nan 8.250 nan 0.000 0.438 460 S N -0.584 115.036 115.700 -0.133 0.000 2.528 460 S HA -0.038 4.432 4.470 -0.000 0.000 0.219 460 S C 0.206 174.768 174.600 -0.062 0.000 0.985 460 S CA 0.310 58.459 58.200 -0.086 0.000 0.914 460 S CB 0.269 63.419 63.200 -0.084 0.000 0.776 460 S HN 0.315 nan 8.310 nan 0.000 0.526 461 D N 0.750 121.097 120.400 -0.089 0.000 2.517 461 D HA 0.275 4.915 4.640 -0.000 0.000 0.263 461 D C 0.650 176.844 176.300 -0.177 0.000 1.233 461 D CA -0.472 53.482 54.000 -0.077 0.000 0.849 461 D CB 0.662 41.450 40.800 -0.019 0.000 1.261 461 D HN 0.086 nan 8.370 nan 0.000 0.516 462 R N 1.229 121.570 120.500 -0.264 0.000 2.120 462 R HA -0.138 4.201 4.340 -0.000 0.000 0.234 462 R C 0.399 176.315 176.300 -0.639 0.000 1.123 462 R CA 1.481 57.272 56.100 -0.516 0.000 0.975 462 R CB 0.070 29.908 30.300 -0.770 0.000 0.866 462 R HN 0.359 nan 8.270 nan 0.000 0.446 463 Y N 0.438 120.626 120.300 -0.186 0.000 2.485 463 Y HA 0.251 4.801 4.550 -0.000 0.000 0.260 463 Y C -0.330 175.333 175.900 -0.395 0.000 1.173 463 Y CA -0.216 57.739 58.100 -0.241 0.000 1.252 463 Y CB 0.314 38.663 38.460 -0.185 0.000 1.123 463 Y HN 0.093 nan 8.280 nan 0.000 0.524 464 E N 0.201 120.143 120.200 -0.431 0.000 2.252 464 E HA -0.221 4.129 4.350 -0.000 0.000 0.218 464 E C 0.502 176.727 176.600 -0.626 0.000 1.253 464 E CA 0.787 56.603 56.400 -0.972 0.000 0.705 464 E CB -1.410 27.573 29.700 -1.195 0.000 1.172 464 E HN 0.594 nan 8.360 nan 0.000 0.369 465 T N -3.019 111.403 114.554 -0.220 0.000 3.040 465 T HA 0.346 4.696 4.350 -0.000 0.000 0.266 465 T C 0.526 175.283 174.700 0.095 0.000 1.005 465 T CA -0.314 61.752 62.100 -0.057 0.000 0.906 465 T CB 0.309 69.139 68.868 -0.062 0.000 1.082 465 T HN 0.161 nan 8.240 nan 0.000 0.531 466 L N 2.598 123.938 121.223 0.195 0.000 2.502 466 L HA 0.480 4.819 4.340 -0.000 0.000 0.247 466 L C -0.256 176.814 176.870 0.333 0.000 1.180 466 L CA -0.855 54.115 54.840 0.218 0.000 0.956 466 L CB 0.579 42.719 42.059 0.136 0.000 1.282 466 L HN 0.040 nan 8.230 nan 0.000 0.470 467 N N 1.851 120.737 118.700 0.309 0.000 2.483 467 N HA 0.114 4.854 4.740 -0.000 0.000 0.264 467 N C 0.410 175.970 175.510 0.084 0.000 1.197 467 N CA 0.347 53.479 53.050 0.137 0.000 0.927 467 N CB 1.073 39.670 38.487 0.183 0.000 1.065 467 N HN 0.483 nan 8.380 nan 0.000 0.461 468 L N 3.655 124.899 121.223 0.036 0.000 2.693 468 L HA 0.298 4.638 4.340 -0.000 0.000 0.235 468 L C 0.337 177.225 176.870 0.031 0.000 1.127 468 L CA -0.387 54.499 54.840 0.077 0.000 0.914 468 L CB 0.100 42.263 42.059 0.173 0.000 1.193 468 L HN 0.476 nan 8.230 nan 0.000 0.502 469 I N 1.774 122.333 120.570 -0.019 0.000 2.741 469 I HA -0.037 4.133 4.170 -0.000 0.000 0.288 469 I C 1.530 177.628 176.117 -0.033 0.000 1.192 469 I CA 1.421 62.690 61.300 -0.051 0.000 1.426 469 I CB -0.223 37.718 38.000 -0.098 0.000 1.367 469 I HN 0.473 nan 8.210 nan 0.000 0.563 470 G N 6.026 114.802 108.800 -0.039 0.000 2.199 470 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 470 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 470 G C 1.042 175.938 174.900 -0.008 0.000 0.982 470 G CA 0.330 45.413 45.100 -0.028 0.000 0.632 470 G HN 0.613 nan 8.290 nan 0.000 0.529 471 K N -0.774 119.630 120.400 0.007 0.000 2.399 471 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 471 K C 0.416 177.036 176.600 0.033 0.000 1.103 471 K CA 0.117 56.420 56.287 0.027 0.000 0.986 471 K CB 0.491 33.019 32.500 0.048 0.000 0.952 471 K HN 0.053 nan 8.250 nan 0.000 0.541 472 K N 1.281 121.694 120.400 0.022 0.000 2.624 472 K HA 0.211 4.531 4.320 -0.000 0.000 0.200 472 K C -2.570 174.000 176.600 -0.050 0.000 1.036 472 K CA -1.609 54.679 56.287 0.001 0.000 1.029 472 K CB 1.666 34.181 32.500 0.025 0.000 1.317 472 K HN -0.176 nan 8.250 nan 0.000 0.555 473 P HA -0.122 nan 4.420 nan 0.000 0.218 473 P C 0.520 177.779 177.300 -0.069 0.000 1.149 473 P CA 1.142 64.211 63.100 -0.050 0.000 0.817 473 P CB 0.492 32.172 31.700 -0.035 0.000 0.785 474 D N -1.128 119.222 120.400 -0.083 0.000 2.103 474 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 474 D C 1.889 178.094 176.300 -0.158 0.000 0.978 474 D CA 0.869 54.808 54.000 -0.102 0.000 0.829 474 D CB -0.515 40.228 40.800 -0.095 0.000 0.981 474 D HN 0.014 nan 8.370 nan 0.000 0.464 475 I N 0.983 121.405 120.570 -0.246 0.000 2.252 475 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 475 I C 2.013 177.980 176.117 -0.250 0.000 1.102 475 I CA 1.045 62.104 61.300 -0.402 0.000 1.385 475 I CB -1.089 36.424 38.000 -0.812 0.000 1.064 475 I HN 0.116 nan 8.210 nan 0.000 0.414 476 E N 0.946 121.050 120.200 -0.159 0.000 2.118 476 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 476 E C 2.190 178.775 176.600 -0.024 0.000 0.992 476 E CA 1.301 57.650 56.400 -0.084 0.000 0.804 476 E CB -0.076 29.574 29.700 -0.083 0.000 0.741 476 E HN 0.396 nan 8.360 nan 0.000 0.458 477 K N 0.615 120.994 120.400 -0.035 0.000 2.057 477 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 477 K C 2.232 178.838 176.600 0.010 0.000 1.050 477 K CA 1.227 57.521 56.287 0.011 0.000 0.935 477 K CB 0.114 32.603 32.500 -0.018 0.000 0.715 477 K HN 0.083 nan 8.250 nan 0.000 0.439 478 Q N -0.433 119.337 119.800 -0.051 0.000 2.020 478 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 478 Q C 2.154 178.136 176.000 -0.031 0.000 0.982 478 Q CA 1.415 57.179 55.803 -0.065 0.000 0.838 478 Q CB 0.004 28.665 28.738 -0.128 0.000 0.899 478 Q HN 0.283 nan 8.270 nan 0.000 0.423 479 M N -0.771 118.812 119.600 -0.028 0.000 2.132 479 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 479 M C 2.056 178.436 176.300 0.133 0.000 1.065 479 M CA 1.338 56.657 55.300 0.031 0.000 1.122 479 M CB -0.852 31.756 32.600 0.014 0.000 1.365 479 M HN 0.246 nan 8.290 nan 0.000 0.411 480 Y N 1.137 121.441 120.300 0.006 0.000 2.293 480 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 480 Y C 2.285 178.226 175.900 0.069 0.000 1.137 480 Y CA 1.435 59.575 58.100 0.066 0.000 1.202 480 Y CB -0.727 37.745 38.460 0.020 0.000 0.990 480 Y HN 0.214 nan 8.280 nan 0.000 0.537 481 G N -0.347 108.437 108.800 -0.027 0.000 2.394 481 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 481 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 481 G C 1.712 176.536 174.900 -0.127 0.000 1.165 481 G CA 0.583 45.607 45.100 -0.127 0.000 0.784 481 G HN 0.338 nan 8.290 nan 0.000 0.535 482 K N -0.539 119.832 120.400 -0.048 0.000 2.148 482 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 482 K C 2.065 178.670 176.600 0.009 0.000 1.050 482 K CA 0.908 57.182 56.287 -0.021 0.000 0.942 482 K CB -0.231 32.283 32.500 0.024 0.000 0.724 482 K HN 0.362 nan 8.250 nan 0.000 0.446 483 F N 1.530 121.403 119.950 -0.129 0.000 2.128 483 F HA -0.083 4.444 4.527 -0.000 0.000 0.295 483 F C 1.635 177.254 175.800 -0.303 0.000 1.100 483 F CA 1.154 59.041 58.000 -0.188 0.000 1.260 483 F CB -0.346 38.550 39.000 -0.173 0.000 1.009 483 F HN -0.151 nan 8.300 nan 0.000 0.476 484 L N 0.455 121.217 121.223 -0.768 0.000 2.079 484 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 484 L C 2.710 179.238 176.870 -0.570 0.000 1.081 484 L CA 1.383 55.708 54.840 -0.858 0.000 0.752 484 L CB -0.734 40.934 42.059 -0.651 0.000 0.896 484 L HN 0.143 nan 8.230 nan 0.000 0.433 485 K N -0.169 120.004 120.400 -0.378 0.000 2.025 485 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 485 K C 2.154 178.616 176.600 -0.230 0.000 1.049 485 K CA 1.645 57.774 56.287 -0.264 0.000 0.933 485 K CB -0.376 32.002 32.500 -0.203 0.000 0.714 485 K HN 0.294 nan 8.250 nan 0.000 0.438 486 Y N 1.325 121.425 120.300 -0.333 0.000 2.224 486 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 486 Y C 2.653 178.331 175.900 -0.370 0.000 1.146 486 Y CA 1.438 59.373 58.100 -0.274 0.000 1.182 486 Y CB 0.152 38.497 38.460 -0.192 0.000 0.983 486 Y HN 0.091 nan 8.280 nan 0.000 0.524 487 K N -0.111 119.981 120.400 -0.513 0.000 2.002 487 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 487 K C 1.964 178.372 176.600 -0.321 0.000 1.048 487 K CA 2.151 58.003 56.287 -0.726 0.000 0.930 487 K CB -0.378 31.313 32.500 -1.348 0.000 0.714 487 K HN 0.406 nan 8.250 nan 0.000 0.438 488 T N -0.641 113.728 114.554 -0.308 0.000 2.788 488 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 488 T C 1.396 176.039 174.700 -0.094 0.000 1.044 488 T CA 1.525 63.519 62.100 -0.176 0.000 1.139 488 T CB -0.451 68.305 68.868 -0.186 0.000 0.867 488 T HN 0.185 nan 8.240 nan 0.000 0.454 489 D N 1.412 121.761 120.400 -0.085 0.000 2.123 489 D HA 0.006 4.646 4.640 -0.000 0.000 0.196 489 D C 2.031 178.349 176.300 0.031 0.000 0.992 489 D CA 0.903 54.881 54.000 -0.037 0.000 0.833 489 D CB -0.358 40.408 40.800 -0.056 0.000 0.954 489 D HN 0.457 nan 8.370 nan 0.000 0.455 490 I N 0.752 121.376 120.570 0.090 0.000 2.233 490 I HA -0.191 3.978 4.170 -0.000 0.000 0.243 490 I C 1.751 177.954 176.117 0.144 0.000 1.093 490 I CA 0.869 62.263 61.300 0.157 0.000 1.380 490 I CB -0.097 38.065 38.000 0.270 0.000 1.067 490 I HN -0.147 nan 8.210 nan 0.000 0.413 491 D N 0.989 121.460 120.400 0.119 0.000 2.149 491 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 491 D C 1.075 177.403 176.300 0.046 0.000 0.990 491 D CA 1.354 55.412 54.000 0.096 0.000 0.839 491 D CB -0.475 40.357 40.800 0.054 0.000 0.948 491 D HN 0.365 nan 8.370 nan 0.000 0.460 492 N N 0.519 119.230 118.700 0.018 0.000 2.451 492 N HA 0.048 4.788 4.740 -0.000 0.000 0.264 492 N C -0.739 174.771 175.510 -0.000 0.000 1.167 492 N CA -0.225 52.825 53.050 0.000 0.000 0.898 492 N CB 0.486 38.960 38.487 -0.021 0.000 1.176 492 N HN 0.043 nan 8.380 nan 0.000 0.507 493 D N -0.230 120.179 120.400 0.015 0.000 2.458 493 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 493 D C 1.310 177.602 176.300 -0.013 0.000 1.146 493 D CA 0.108 54.110 54.000 0.002 0.000 0.877 493 D CB 0.821 41.629 40.800 0.013 0.000 1.176 493 D HN 0.246 nan 8.370 nan 0.000 0.461 494 S N 3.328 119.012 115.700 -0.027 0.000 2.387 494 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 494 S C 1.804 176.385 174.600 -0.032 0.000 1.026 494 S CA 0.277 58.459 58.200 -0.029 0.000 0.972 494 S CB -0.283 62.897 63.200 -0.033 0.000 0.814 494 S HN 0.546 nan 8.310 nan 0.000 0.477 495 L N 1.329 122.524 121.223 -0.047 0.000 2.056 495 L HA 0.197 4.536 4.340 -0.000 0.000 0.207 495 L C 2.630 179.480 176.870 -0.033 0.000 1.078 495 L CA 1.998 56.808 54.840 -0.050 0.000 0.749 495 L CB -0.646 41.364 42.059 -0.082 0.000 0.901 495 L HN 0.520 nan 8.230 nan 0.000 0.433 496 M N -0.984 118.602 119.600 -0.023 0.000 2.086 496 M HA -0.260 4.220 4.480 -0.000 0.000 0.261 496 M C 2.211 178.507 176.300 -0.007 0.000 1.067 496 M CA 1.832 57.127 55.300 -0.009 0.000 1.116 496 M CB -0.197 32.407 32.600 0.006 0.000 1.348 496 M HN 0.118 nan 8.290 nan 0.000 0.407 497 K N 0.430 120.826 120.400 -0.008 0.000 2.074 497 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 497 K C 1.966 178.560 176.600 -0.010 0.000 1.048 497 K CA 1.672 57.954 56.287 -0.008 0.000 0.926 497 K CB -0.380 32.115 32.500 -0.010 0.000 0.713 497 K HN 0.543 nan 8.250 nan 0.000 0.444 498 A N 1.778 124.589 122.820 -0.014 0.000 2.070 498 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 498 A C 1.807 179.384 177.584 -0.012 0.000 1.159 498 A CA 1.316 53.345 52.037 -0.014 0.000 0.656 498 A CB -0.428 18.561 19.000 -0.018 0.000 0.800 498 A HN 0.419 nan 8.150 nan 0.000 0.453 499 R N -1.545 118.948 120.500 -0.012 0.000 2.359 499 R HA 0.367 4.707 4.340 -0.000 0.000 0.231 499 R C 0.980 177.275 176.300 -0.008 0.000 0.913 499 R CA 0.622 56.715 56.100 -0.011 0.000 1.075 499 R CB -0.502 29.791 30.300 -0.012 0.000 1.087 499 R HN 0.676 nan 8.270 nan 0.000 0.515 500 G N 0.854 109.650 108.800 -0.006 0.000 2.147 500 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.244 500 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.244 500 G C -0.748 174.151 174.900 -0.001 0.000 1.005 500 G CA 0.274 45.372 45.100 -0.004 0.000 0.713 500 G HN 0.461 nan 8.290 nan 0.000 0.515 501 D N 0.124 120.524 120.400 0.000 0.000 2.384 501 D HA 0.733 5.372 4.640 -0.000 0.000 0.250 501 D C 0.587 176.892 176.300 0.009 0.000 1.029 501 D CA 0.038 54.041 54.000 0.005 0.000 0.990 501 D CB 1.426 42.228 40.800 0.004 0.000 1.175 501 D HN 0.635 nan 8.370 nan 0.000 0.532 502 K N -1.238 119.171 120.400 0.015 0.000 2.533 502 K HA 0.631 4.950 4.320 -0.000 0.000 0.272 502 K C -3.077 173.536 176.600 0.022 0.000 0.985 502 K CA -1.767 54.531 56.287 0.019 0.000 0.876 502 K CB 1.319 33.829 32.500 0.016 0.000 1.452 502 K HN -0.083 nan 8.250 nan 0.000 0.439 503 P HA 0.024 nan 4.420 nan 0.000 0.263 503 P C -1.169 176.131 177.300 0.000 0.000 1.195 503 P CA 0.172 63.278 63.100 0.008 0.000 0.762 503 P CB 0.390 32.109 31.700 0.031 0.000 0.799 504 E N 2.135 122.333 120.200 -0.004 0.000 2.145 504 E HA 0.411 4.761 4.350 -0.000 0.000 0.262 504 E C -0.154 176.417 176.600 -0.048 0.000 0.883 504 E CA -0.794 55.627 56.400 0.036 0.000 0.748 504 E CB 1.912 31.699 29.700 0.145 0.000 1.140 504 E HN 0.395 nan 8.360 nan 0.000 0.417 505 A N 2.914 125.670 122.820 -0.108 0.000 2.531 505 A HA 0.122 4.442 4.320 -0.000 0.000 0.236 505 A C 0.470 177.784 177.584 -0.450 0.000 1.062 505 A CA -0.304 51.583 52.037 -0.250 0.000 0.760 505 A CB 0.282 19.174 19.000 -0.181 0.000 0.995 505 A HN 0.414 nan 8.150 nan 0.000 0.501 506 V N 3.132 122.606 119.914 -0.734 0.000 2.479 506 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 506 V C 1.483 177.002 176.094 -0.958 0.000 1.031 506 V CA 1.170 62.629 62.300 -1.402 0.000 1.038 506 V CB 0.484 31.551 31.823 -1.260 0.000 0.981 506 V HN 1.129 nan 8.190 nan 0.000 0.478 507 T N -0.140 113.901 114.554 -0.856 0.000 3.040 507 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 507 T C -0.013 174.883 174.700 0.327 0.000 1.005 507 T CA -0.507 61.555 62.100 -0.064 0.000 0.906 507 T CB -0.047 68.903 68.868 0.138 0.000 1.082 507 T HN 0.630 nan 8.240 nan 0.000 0.531 508 W N 1.182 122.725 121.300 0.404 0.000 2.485 508 W HA 0.765 5.425 4.660 -0.000 0.000 0.364 508 W C 0.609 177.557 176.519 0.716 0.000 1.171 508 W CA -0.450 57.157 57.345 0.436 0.000 1.304 508 W CB 0.181 29.832 29.460 0.318 0.000 1.335 508 W HN 0.481 nan 8.180 nan 0.000 0.643 509 G N 0.000 109.186 108.800 0.643 0.000 5.446 509 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 509 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 509 G CA 0.000 45.299 45.100 0.332 0.000 0.502 509 G HN 0.000 nan 8.290 nan 0.000 0.925