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 3k4c_1_D DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STAWGCATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPF 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.041 176.117 -0.127 0.000 1.063 45 I CA 0.000 61.240 61.300 -0.100 0.000 1.566 45 I CB 0.000 37.966 38.000 -0.056 0.000 1.214 46 K N 1.694 121.879 120.400 -0.358 0.000 2.471 46 K HA 0.635 4.955 4.320 -0.000 0.000 0.252 46 K C -1.912 174.401 176.600 -0.478 0.000 0.938 46 K CA -0.211 55.926 56.287 -0.250 0.000 0.796 46 K CB 1.364 33.793 32.500 -0.118 0.000 1.161 46 K HN 0.006 nan 8.250 nan 0.000 0.425 47 Y N 1.831 122.114 120.300 -0.028 0.000 2.485 47 Y HA 0.240 4.790 4.550 0.000 0.000 0.345 47 Y C 0.697 176.556 175.900 -0.069 0.000 0.998 47 Y CA -0.759 57.309 58.100 -0.053 0.000 1.059 47 Y CB 1.933 40.351 38.460 -0.069 0.000 1.234 47 Y HN 0.655 nan 8.280 nan 0.000 0.461 48 D N 0.697 121.169 120.400 0.121 0.000 2.097 48 D HA -0.049 4.591 4.640 -0.000 0.000 0.195 48 D C -0.189 176.087 176.300 -0.039 0.000 0.989 48 D CA 1.588 55.645 54.000 0.096 0.000 0.827 48 D CB 0.145 41.086 40.800 0.235 0.000 0.966 48 D HN 0.147 nan 8.370 nan 0.000 0.456 49 V N 0.391 120.271 119.914 -0.057 0.000 2.760 49 V HA 0.377 4.497 4.120 -0.000 0.000 0.309 49 V C -0.534 175.436 176.094 -0.206 0.000 1.077 49 V CA -1.088 61.086 62.300 -0.210 0.000 0.910 49 V CB 2.685 34.352 31.823 -0.260 0.000 1.008 49 V HN -0.020 nan 8.190 nan 0.000 0.424 50 V N 2.579 122.330 119.914 -0.270 0.000 2.487 50 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 50 V C -0.610 175.403 176.094 -0.136 0.000 1.028 50 V CA -0.569 61.618 62.300 -0.188 0.000 0.860 50 V CB 1.494 33.289 31.823 -0.046 0.000 0.991 50 V HN 0.680 nan 8.190 nan 0.000 0.427 51 I N 4.676 125.166 120.570 -0.132 0.000 2.354 51 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 51 I C -0.292 175.821 176.117 -0.006 0.000 0.989 51 I CA -0.911 60.313 61.300 -0.125 0.000 1.188 51 I CB 2.057 39.965 38.000 -0.155 0.000 1.342 51 I HN 0.426 nan 8.210 nan 0.000 0.457 52 V N 5.647 125.561 119.914 0.000 0.000 2.406 52 V HA 0.729 4.849 4.120 -0.000 0.000 0.272 52 V C 0.531 176.623 176.094 -0.002 0.000 1.043 52 V CA -0.221 62.107 62.300 0.046 0.000 0.915 52 V CB 0.570 32.400 31.823 0.011 0.000 0.988 52 V HN 1.072 nan 8.190 nan 0.000 0.466 53 G N 4.033 112.845 108.800 0.020 0.000 3.055 53 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 53 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 53 G C -0.024 174.881 174.900 0.008 0.000 1.087 53 G CA -0.214 44.889 45.100 0.006 0.000 0.779 53 G HN 1.403 nan 8.290 nan 0.000 0.599 54 S N 1.466 117.176 115.700 0.018 0.000 2.588 54 S HA 0.605 5.075 4.470 -0.000 0.000 0.245 54 S C 1.382 175.991 174.600 0.015 0.000 1.021 54 S CA 0.740 58.958 58.200 0.031 0.000 1.006 54 S CB 0.526 63.757 63.200 0.051 0.000 0.830 54 S HN 2.002 nan 8.310 nan 0.000 0.468 55 G N 2.782 111.583 108.800 0.001 0.000 2.590 55 G HA2 0.316 4.276 3.960 -0.000 0.000 0.276 55 G HA3 0.316 4.276 3.960 -0.000 0.000 0.276 55 G C -1.138 173.741 174.900 -0.036 0.000 1.337 55 G CA -0.910 44.177 45.100 -0.022 0.000 1.030 55 G HN 0.298 nan 8.290 nan 0.000 0.534 56 P HA -0.031 nan 4.420 nan 0.000 0.221 56 P C 1.772 179.015 177.300 -0.094 0.000 1.150 56 P CA 0.578 63.614 63.100 -0.107 0.000 0.800 56 P CB 0.185 31.820 31.700 -0.108 0.000 0.787 57 I N 0.427 120.982 120.570 -0.025 0.000 2.286 57 I HA -0.034 4.136 4.170 -0.000 0.000 0.245 57 I C 2.677 178.864 176.117 0.117 0.000 1.104 57 I CA 1.339 62.664 61.300 0.041 0.000 1.397 57 I CB -2.282 35.766 38.000 0.081 0.000 1.072 57 I HN -0.015 nan 8.210 nan 0.000 0.417 58 G N -0.171 108.664 108.800 0.058 0.000 2.442 58 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 58 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 58 G C 1.747 176.653 174.900 0.010 0.000 1.141 58 G CA 1.018 46.136 45.100 0.031 0.000 0.763 58 G HN 0.425 nan 8.290 nan 0.000 0.554 59 C N 0.520 119.802 119.300 -0.029 0.000 2.448 59 C HA 0.074 4.534 4.460 -0.000 0.000 0.280 59 C C 3.146 178.030 174.990 -0.178 0.000 1.398 59 C CA 1.275 60.238 59.018 -0.092 0.000 1.774 59 C CB -0.854 26.869 27.740 -0.028 0.000 1.888 59 C HN 0.439 nan 8.230 nan 0.000 0.519 60 T N -0.215 114.268 114.554 -0.118 0.000 2.777 60 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 60 T C 1.442 176.022 174.700 -0.201 0.000 1.040 60 T CA 1.510 63.518 62.100 -0.153 0.000 1.141 60 T CB -0.344 68.455 68.868 -0.115 0.000 0.868 60 T HN 0.581 nan 8.240 nan 0.000 0.444 61 Y N 1.195 121.365 120.300 -0.218 0.000 2.242 61 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 61 Y C 2.681 178.378 175.900 -0.337 0.000 1.137 61 Y CA 0.746 58.697 58.100 -0.248 0.000 1.181 61 Y CB -0.358 37.966 38.460 -0.227 0.000 0.989 61 Y HN 0.193 nan 8.280 nan 0.000 0.527 62 A N 0.004 122.660 122.820 -0.273 0.000 1.929 62 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 62 A C 2.255 179.271 177.584 -0.948 0.000 1.176 62 A CA 1.281 52.944 52.037 -0.624 0.000 0.628 62 A CB -0.559 17.936 19.000 -0.843 0.000 0.816 62 A HN 0.358 nan 8.150 nan 0.000 0.444 63 R N -0.190 119.822 120.500 -0.813 0.000 2.082 63 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 63 R C 2.018 178.107 176.300 -0.352 0.000 1.136 63 R CA 1.802 57.555 56.100 -0.577 0.000 0.935 63 R CB -0.294 29.719 30.300 -0.479 0.000 0.842 63 R HN 0.553 nan 8.270 nan 0.000 0.430 64 E N 0.342 120.378 120.200 -0.275 0.000 2.106 64 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 64 E C 2.084 178.624 176.600 -0.100 0.000 0.984 64 E CA 1.113 57.426 56.400 -0.146 0.000 0.806 64 E CB 0.002 29.617 29.700 -0.141 0.000 0.750 64 E HN 0.431 nan 8.360 nan 0.000 0.458 65 L N 0.125 121.262 121.223 -0.143 0.000 2.249 65 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 65 L C 2.428 179.359 176.870 0.103 0.000 1.090 65 L CA 0.172 54.999 54.840 -0.022 0.000 0.802 65 L CB -0.123 41.817 42.059 -0.199 0.000 0.947 65 L HN -0.062 nan 8.230 nan 0.000 0.453 66 V N 0.518 120.395 119.914 -0.062 0.000 2.358 66 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 66 V C 2.691 178.810 176.094 0.041 0.000 1.047 66 V CA 1.966 64.266 62.300 0.001 0.000 1.035 66 V CB -1.243 30.512 31.823 -0.113 0.000 0.658 66 V HN 0.533 nan 8.190 nan 0.000 0.452 67 G N -0.021 108.780 108.800 0.002 0.000 2.469 67 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 67 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 67 G C 1.490 176.412 174.900 0.037 0.000 1.136 67 G CA 0.967 46.079 45.100 0.021 0.000 0.759 67 G HN 0.651 nan 8.290 nan 0.000 0.562 68 A N -0.396 122.470 122.820 0.077 0.000 2.259 68 A HA 0.472 4.792 4.320 -0.000 0.000 0.208 68 A C 1.950 179.492 177.584 -0.070 0.000 1.201 68 A CA 1.222 53.297 52.037 0.065 0.000 0.824 68 A CB -0.510 18.618 19.000 0.213 0.000 0.838 68 A HN 1.642 nan 8.150 nan 0.000 0.485 69 G N -2.368 106.415 108.800 -0.028 0.000 2.157 69 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.239 69 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.239 69 G C -0.080 174.714 174.900 -0.177 0.000 0.982 69 G CA 0.118 45.161 45.100 -0.095 0.000 0.650 69 G HN 0.429 nan 8.290 nan 0.000 0.527 70 Y N 0.593 120.884 120.300 -0.013 0.000 2.319 70 Y HA 0.437 4.987 4.550 0.000 0.000 0.328 70 Y C 1.094 176.978 175.900 -0.028 0.000 1.133 70 Y CA -0.138 57.947 58.100 -0.025 0.000 1.265 70 Y CB 0.888 39.323 38.460 -0.042 0.000 1.218 70 Y HN 0.064 nan 8.280 nan 0.000 0.508 71 K N 3.354 123.822 120.400 0.113 0.000 2.336 71 K HA 0.314 4.634 4.320 -0.000 0.000 0.290 71 K C -1.378 175.311 176.600 0.148 0.000 1.067 71 K CA -0.094 56.238 56.287 0.074 0.000 0.962 71 K CB -0.006 32.503 32.500 0.015 0.000 1.008 71 K HN 0.476 nan 8.250 nan 0.000 0.467 72 V N 3.333 123.312 119.914 0.108 0.000 2.459 72 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 72 V C -0.269 175.685 176.094 -0.234 0.000 1.029 72 V CA -0.929 61.377 62.300 0.009 0.000 0.874 72 V CB 1.449 33.327 31.823 0.091 0.000 0.985 72 V HN 0.864 nan 8.190 nan 0.000 0.438 73 A N 5.842 128.360 122.820 -0.504 0.000 2.342 73 A HA 0.919 5.239 4.320 -0.000 0.000 0.323 73 A C -0.644 176.495 177.584 -0.741 0.000 1.125 73 A CA -0.606 50.889 52.037 -0.904 0.000 0.785 73 A CB 1.495 19.598 19.000 -1.497 0.000 1.221 73 A HN 0.916 nan 8.150 nan 0.000 0.463 74 M N 2.470 121.572 119.600 -0.830 0.000 2.393 74 M HA 0.763 5.243 4.480 -0.000 0.000 0.316 74 M C -2.158 173.768 176.300 -0.622 0.000 1.087 74 M CA -0.438 54.557 55.300 -0.510 0.000 0.937 74 M CB 1.127 33.646 32.600 -0.136 0.000 1.668 74 M HN 0.578 nan 8.290 nan 0.000 0.438 75 F N 2.416 122.337 119.950 -0.050 0.000 2.520 75 F HA 0.557 5.084 4.527 -0.000 0.000 0.322 75 F C -0.224 175.560 175.800 -0.025 0.000 1.103 75 F CA -0.619 57.376 58.000 -0.009 0.000 0.926 75 F CB 1.527 40.511 39.000 -0.028 0.000 1.154 75 F HN 0.472 nan 8.300 nan 0.000 0.453 76 D N 2.857 123.352 120.400 0.159 0.000 2.879 76 D HA 0.257 4.897 4.640 -0.000 0.000 0.236 76 D C 0.456 176.772 176.300 0.028 0.000 1.171 76 D CA -0.328 53.709 54.000 0.062 0.000 0.868 76 D CB 2.589 43.407 40.800 0.031 0.000 1.598 76 D HN 0.650 nan 8.370 nan 0.000 0.497 77 I N 1.854 122.391 120.570 -0.055 0.000 2.546 77 I HA 0.069 4.239 4.170 -0.000 0.000 0.255 77 I C 1.179 177.241 176.117 -0.092 0.000 1.163 77 I CA 0.630 61.851 61.300 -0.131 0.000 1.457 77 I CB 0.147 37.953 38.000 -0.323 0.000 1.092 77 I HN 0.335 nan 8.210 nan 0.000 0.434 78 G N 0.280 109.045 108.800 -0.059 0.000 2.580 78 G HA2 0.285 4.245 3.960 -0.000 0.000 0.278 78 G HA3 0.285 4.245 3.960 -0.000 0.000 0.278 78 G C -0.690 174.219 174.900 0.015 0.000 1.212 78 G CA -0.415 44.676 45.100 -0.014 0.000 0.939 78 G HN 0.320 nan 8.290 nan 0.000 0.513 79 E N -1.224 118.992 120.200 0.027 0.000 2.232 79 E HA 0.367 4.717 4.350 -0.000 0.000 0.264 79 E C -0.367 176.251 176.600 0.031 0.000 0.973 79 E CA -0.688 55.731 56.400 0.033 0.000 0.849 79 E CB 2.314 32.037 29.700 0.038 0.000 1.198 79 E HN 0.262 nan 8.360 nan 0.000 0.407 80 I N 1.973 122.561 120.570 0.031 0.000 2.471 80 I HA -0.032 4.138 4.170 -0.000 0.000 0.286 80 I C 0.275 176.414 176.117 0.037 0.000 1.079 80 I CA 0.519 61.838 61.300 0.031 0.000 1.398 80 I CB 0.455 38.470 38.000 0.024 0.000 1.403 80 I HN 0.547 nan 8.210 nan 0.000 0.530 81 D N 2.068 122.495 120.400 0.044 0.000 3.194 81 D HA 0.038 4.678 4.640 -0.000 0.000 0.290 81 D C 0.849 177.191 176.300 0.070 0.000 1.280 81 D CA 0.640 54.673 54.000 0.055 0.000 1.058 81 D CB 0.331 41.163 40.800 0.054 0.000 1.241 81 D HN 0.318 nan 8.370 nan 0.000 0.421 82 S N 1.391 117.138 115.700 0.079 0.000 3.870 82 S HA 0.477 4.947 4.470 -0.000 0.000 0.198 82 S C 0.873 175.533 174.600 0.100 0.000 1.336 82 S CA 0.250 58.515 58.200 0.107 0.000 1.049 82 S CB -0.634 62.638 63.200 0.119 0.000 1.412 82 S HN 0.527 nan 8.310 nan 0.000 0.448 83 G N 1.605 110.456 108.800 0.085 0.000 2.601 83 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 83 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 83 G C 0.538 175.468 174.900 0.051 0.000 1.289 83 G CA -0.040 45.102 45.100 0.070 0.000 0.920 83 G HN 0.473 nan 8.290 nan 0.000 0.571 84 L N 0.143 121.390 121.223 0.041 0.000 2.191 84 L HA 0.040 4.380 4.340 -0.000 0.000 0.212 84 L C 1.557 178.438 176.870 0.017 0.000 1.103 84 L CA 1.339 56.192 54.840 0.023 0.000 0.769 84 L CB -0.438 41.629 42.059 0.014 0.000 0.908 84 L HN 0.333 nan 8.230 nan 0.000 0.438 85 K N 1.716 122.135 120.400 0.032 0.000 2.284 85 K HA 0.357 4.677 4.320 -0.000 0.000 0.287 85 K C -0.338 176.281 176.600 0.033 0.000 1.081 85 K CA -0.230 56.072 56.287 0.026 0.000 0.910 85 K CB 1.206 33.733 32.500 0.046 0.000 1.088 85 K HN 0.086 nan 8.250 nan 0.000 0.478 86 I N 1.894 122.468 120.570 0.007 0.000 2.533 86 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 86 I C 1.292 177.424 176.117 0.025 0.000 1.109 86 I CA 0.663 61.972 61.300 0.014 0.000 1.412 86 I CB 0.558 38.556 38.000 -0.002 0.000 1.396 86 I HN 0.973 nan 8.210 nan 0.000 0.543 87 G N 4.430 113.255 108.800 0.043 0.000 2.160 87 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.251 87 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.251 87 G C 0.281 175.228 174.900 0.078 0.000 1.008 87 G CA 0.143 45.273 45.100 0.050 0.000 0.724 87 G HN 0.940 nan 8.290 nan 0.000 0.514 88 A N -0.570 122.312 122.820 0.103 0.000 2.246 88 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 88 A C 0.506 178.213 177.584 0.206 0.000 1.103 88 A CA -0.395 51.740 52.037 0.162 0.000 0.844 88 A CB 0.371 19.467 19.000 0.159 0.000 1.136 88 A HN 0.618 nan 8.150 nan 0.000 0.500 89 H N 0.537 119.733 119.070 0.210 0.000 2.899 89 H HA 0.117 4.673 4.556 -0.000 0.000 0.303 89 H C 0.722 176.160 175.328 0.184 0.000 1.042 89 H CA 0.612 56.794 56.048 0.222 0.000 1.479 89 H CB 0.802 30.718 29.762 0.258 0.000 1.493 89 H HN 0.667 nan 8.280 nan 0.000 0.534 90 K N 3.451 124.068 120.400 0.361 0.000 2.362 90 K HA -0.130 4.190 4.320 -0.000 0.000 0.200 90 K C 1.725 178.560 176.600 0.392 0.000 1.046 90 K CA 0.942 57.470 56.287 0.401 0.000 0.952 90 K CB 0.319 33.060 32.500 0.400 0.000 0.753 90 K HN 0.473 nan 8.250 nan 0.000 0.466 91 K N 0.911 121.417 120.400 0.176 0.000 2.525 91 K HA -0.007 4.313 4.320 -0.000 0.000 0.192 91 K C 0.287 176.867 176.600 -0.034 0.000 1.029 91 K CA 0.576 56.644 56.287 -0.365 0.000 1.029 91 K CB 0.225 31.977 32.500 -1.246 0.000 0.814 91 K HN -0.063 nan 8.250 nan 0.000 0.503 92 N N 2.281 121.075 118.700 0.157 0.000 2.597 92 N HA -0.005 4.735 4.740 -0.000 0.000 0.269 92 N C -0.736 175.019 175.510 0.409 0.000 1.204 92 N CA 0.324 53.513 53.050 0.231 0.000 0.947 92 N CB 0.831 39.505 38.487 0.312 0.000 1.258 92 N HN 0.375 nan 8.380 nan 0.000 0.508 93 T N -4.267 110.500 114.554 0.354 0.000 2.918 93 T HA 0.348 4.698 4.350 -0.000 0.000 0.286 93 T C 1.451 176.355 174.700 0.340 0.000 1.026 93 T CA -0.737 61.553 62.100 0.317 0.000 1.031 93 T CB 1.670 70.665 68.868 0.212 0.000 1.046 93 T HN -0.184 nan 8.240 nan 0.000 0.479 94 V N 1.431 121.495 119.914 0.251 0.000 2.343 94 V HA -0.088 4.032 4.120 -0.000 0.000 0.247 94 V C 2.809 178.966 176.094 0.105 0.000 1.051 94 V CA 2.343 64.769 62.300 0.210 0.000 1.036 94 V CB -0.926 30.946 31.823 0.082 0.000 0.654 94 V HN 1.043 nan 8.190 nan 0.000 0.451 95 E N -0.490 119.708 120.200 -0.004 0.000 2.110 95 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 95 E C 1.980 178.499 176.600 -0.134 0.000 0.988 95 E CA 1.615 57.944 56.400 -0.119 0.000 0.804 95 E CB -0.283 29.280 29.700 -0.229 0.000 0.745 95 E HN 0.694 nan 8.360 nan 0.000 0.458 96 Y N 0.656 121.013 120.300 0.094 0.000 2.314 96 Y HA -0.019 4.531 4.550 -0.000 0.000 0.293 96 Y C 2.141 178.047 175.900 0.009 0.000 1.129 96 Y CA 1.109 59.247 58.100 0.063 0.000 1.201 96 Y CB -0.138 38.358 38.460 0.060 0.000 0.999 96 Y HN 0.127 nan 8.280 nan 0.000 0.541 97 Q N 0.147 120.033 119.800 0.143 0.000 2.436 97 Q HA -0.094 4.246 4.340 -0.000 0.000 0.209 97 Q C 1.401 177.447 176.000 0.077 0.000 0.965 97 Q CA 0.876 56.715 55.803 0.059 0.000 0.910 97 Q CB -0.077 28.661 28.738 0.000 0.000 0.980 97 Q HN 0.510 nan 8.270 nan 0.000 0.491 98 K N 0.335 120.786 120.400 0.085 0.000 2.393 98 K HA 0.093 4.413 4.320 -0.000 0.000 0.193 98 K C 0.399 177.033 176.600 0.057 0.000 1.026 98 K CA 0.178 56.501 56.287 0.060 0.000 1.064 98 K CB 0.552 33.077 32.500 0.041 0.000 0.833 98 K HN 0.070 nan 8.250 nan 0.000 0.521 99 N N 0.943 119.699 118.700 0.094 0.000 2.636 99 N HA 0.034 4.774 4.740 -0.000 0.000 0.287 99 N C 0.170 175.785 175.510 0.175 0.000 1.817 99 N CA 0.072 53.190 53.050 0.114 0.000 0.842 99 N CB 0.898 39.451 38.487 0.109 0.000 1.353 99 N HN 0.000 nan 8.380 nan 0.000 0.500 100 I N 1.739 122.377 120.570 0.114 0.000 2.423 100 I HA -0.228 3.942 4.170 -0.000 0.000 0.254 100 I C 1.665 177.838 176.117 0.095 0.000 1.151 100 I CA 1.767 63.119 61.300 0.087 0.000 1.421 100 I CB 0.113 38.112 38.000 -0.002 0.000 1.079 100 I HN 0.199 nan 8.210 nan 0.000 0.431 101 D N 0.023 120.473 120.400 0.083 0.000 2.218 101 D HA -0.208 4.432 4.640 -0.000 0.000 0.204 101 D C 1.604 177.953 176.300 0.082 0.000 0.976 101 D CA 0.680 54.718 54.000 0.063 0.000 0.853 101 D CB -0.508 40.323 40.800 0.051 0.000 0.939 101 D HN 0.329 nan 8.370 nan 0.000 0.481 102 K N 0.204 120.693 120.400 0.148 0.000 2.362 102 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 102 K C 1.678 178.337 176.600 0.098 0.000 1.046 102 K CA 0.015 56.405 56.287 0.172 0.000 0.952 102 K CB -0.542 32.142 32.500 0.306 0.000 0.753 102 K HN 0.219 nan 8.250 nan 0.000 0.466 103 F N 1.257 121.130 119.950 -0.127 0.000 2.451 103 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 103 F C 2.020 177.676 175.800 -0.241 0.000 1.101 103 F CA 0.289 58.064 58.000 -0.376 0.000 1.436 103 F CB -0.147 38.594 39.000 -0.432 0.000 1.074 103 F HN -0.211 nan 8.300 nan 0.000 0.553 104 V N 0.778 120.609 119.914 -0.138 0.000 2.380 104 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 104 V C 1.752 177.718 176.094 -0.214 0.000 1.063 104 V CA 2.908 65.108 62.300 -0.167 0.000 1.055 104 V CB -0.643 31.131 31.823 -0.081 0.000 0.657 104 V HN 0.502 nan 8.190 nan 0.000 0.455 105 N N -0.501 118.091 118.700 -0.179 0.000 2.270 105 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 105 N C 1.678 177.052 175.510 -0.226 0.000 1.016 105 N CA 1.367 54.333 53.050 -0.140 0.000 0.870 105 N CB -0.188 38.268 38.487 -0.052 0.000 0.979 105 N HN 0.440 nan 8.380 nan 0.000 0.431 106 V N 1.318 120.976 119.914 -0.426 0.000 2.343 106 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 106 V C 2.043 177.860 176.094 -0.463 0.000 1.051 106 V CA 1.426 63.423 62.300 -0.505 0.000 1.036 106 V CB -0.463 30.814 31.823 -0.910 0.000 0.654 106 V HN 0.301 nan 8.190 nan 0.000 0.451 107 I N -0.366 119.865 120.570 -0.565 0.000 2.202 107 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 107 I C 2.703 178.720 176.117 -0.167 0.000 1.091 107 I CA 1.583 62.682 61.300 -0.336 0.000 1.368 107 I CB -0.386 37.444 38.000 -0.283 0.000 1.058 107 I HN 0.341 nan 8.210 nan 0.000 0.410 108 Q N 0.416 120.131 119.800 -0.141 0.000 2.124 108 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 108 Q C 2.317 178.285 176.000 -0.053 0.000 0.977 108 Q CA 1.531 57.294 55.803 -0.067 0.000 0.850 108 Q CB -0.438 28.268 28.738 -0.053 0.000 0.901 108 Q HN 0.647 nan 8.270 nan 0.000 0.429 109 G N 1.293 110.046 108.800 -0.079 0.000 2.470 109 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 109 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 109 G C 1.160 176.040 174.900 -0.033 0.000 1.121 109 G CA 0.839 45.909 45.100 -0.050 0.000 0.766 109 G HN 0.489 nan 8.290 nan 0.000 0.553 110 Q N -0.732 119.040 119.800 -0.047 0.000 2.217 110 Q HA 0.374 4.714 4.340 -0.000 0.000 0.217 110 Q C 0.372 176.379 176.000 0.012 0.000 0.844 110 Q CA -0.275 55.519 55.803 -0.015 0.000 0.957 110 Q CB 0.205 28.927 28.738 -0.026 0.000 1.127 110 Q HN 0.271 nan 8.270 nan 0.000 0.503 111 L N 2.108 123.338 121.223 0.011 0.000 2.260 111 L HA 0.409 4.749 4.340 -0.000 0.000 0.289 111 L C -0.696 176.205 176.870 0.051 0.000 1.057 111 L CA -0.560 54.303 54.840 0.039 0.000 0.811 111 L CB 0.924 43.006 42.059 0.038 0.000 1.184 111 L HN 0.164 nan 8.230 nan 0.000 0.429 112 M N 2.496 122.140 119.600 0.074 0.000 2.149 112 M HA 0.270 4.750 4.480 -0.000 0.000 0.342 112 M C 0.116 176.470 176.300 0.090 0.000 1.068 112 M CA 0.104 55.453 55.300 0.082 0.000 0.991 112 M CB 1.783 34.446 32.600 0.104 0.000 1.596 112 M HN 0.344 nan 8.290 nan 0.000 0.439 113 S N 1.682 117.424 115.700 0.069 0.000 2.560 113 S HA 0.137 4.607 4.470 -0.000 0.000 0.284 113 S C 1.327 175.974 174.600 0.078 0.000 1.327 113 S CA -0.627 57.612 58.200 0.066 0.000 1.055 113 S CB 0.738 63.964 63.200 0.043 0.000 0.868 113 S HN 0.586 nan 8.310 nan 0.000 0.506 114 V N 2.025 121.994 119.914 0.091 0.000 2.446 114 V HA 0.078 4.198 4.120 -0.000 0.000 0.244 114 V C 1.059 177.160 176.094 0.012 0.000 1.039 114 V CA 1.147 63.491 62.300 0.073 0.000 1.045 114 V CB 0.280 32.183 31.823 0.133 0.000 0.681 114 V HN 0.779 nan 8.190 nan 0.000 0.459 115 S N -0.327 115.396 115.700 0.039 0.000 2.750 115 S HA 0.527 4.997 4.470 -0.000 0.000 0.276 115 S C -1.204 173.400 174.600 0.006 0.000 1.165 115 S CA -0.422 57.766 58.200 -0.020 0.000 1.047 115 S CB 1.482 64.629 63.200 -0.088 0.000 1.056 115 S HN -0.021 nan 8.310 nan 0.000 0.481 116 V N 7.675 127.581 119.914 -0.013 0.000 2.357 116 V HA 0.552 4.672 4.120 -0.000 0.000 0.284 116 V C -2.059 174.020 176.094 -0.026 0.000 1.018 116 V CA -1.841 60.451 62.300 -0.012 0.000 0.841 116 V CB 1.541 33.359 31.823 -0.009 0.000 0.991 116 V HN 0.706 nan 8.190 nan 0.000 0.437 117 P HA 0.140 nan 4.420 nan 0.000 0.272 117 P C -0.095 177.181 177.300 -0.040 0.000 1.230 117 P CA -0.104 62.977 63.100 -0.032 0.000 0.788 117 P CB 0.805 32.486 31.700 -0.032 0.000 0.949 118 V N 2.946 122.838 119.914 -0.036 0.000 2.557 118 V HA -0.066 4.054 4.120 -0.000 0.000 0.301 118 V C 1.315 177.361 176.094 -0.080 0.000 1.026 118 V CA 0.301 62.577 62.300 -0.041 0.000 1.137 118 V CB -0.733 31.087 31.823 -0.006 0.000 0.917 118 V HN 0.621 nan 8.190 nan 0.000 0.484 119 N N 3.770 122.419 118.700 -0.085 0.000 2.497 119 N HA 0.064 4.804 4.740 -0.000 0.000 0.268 119 N C 0.645 176.007 175.510 -0.248 0.000 1.171 119 N CA 0.543 53.522 53.050 -0.119 0.000 0.948 119 N CB 1.454 39.900 38.487 -0.068 0.000 1.069 119 N HN 0.858 nan 8.380 nan 0.000 0.460 120 T N 0.755 115.050 114.554 -0.431 0.000 3.252 120 T HA 0.277 4.627 4.350 -0.000 0.000 0.286 120 T C 0.748 175.081 174.700 -0.613 0.000 1.013 120 T CA -0.458 60.994 62.100 -1.079 0.000 0.914 120 T CB -0.429 67.853 68.868 -0.977 0.000 1.131 120 T HN 0.263 nan 8.240 nan 0.000 0.529 121 L N 1.844 122.950 121.223 -0.194 0.000 2.416 121 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 121 L C -0.015 176.939 176.870 0.140 0.000 1.161 121 L CA -0.839 53.985 54.840 -0.027 0.000 0.845 121 L CB 0.989 43.048 42.059 0.001 0.000 1.119 121 L HN 0.064 nan 8.230 nan 0.000 0.464 122 V N 4.328 124.324 119.914 0.136 0.000 2.383 122 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 122 V C 0.153 176.313 176.094 0.109 0.000 1.036 122 V CA -0.524 61.889 62.300 0.189 0.000 0.889 122 V CB 1.604 33.520 31.823 0.156 0.000 0.985 122 V HN 0.418 nan 8.190 nan 0.000 0.459 123 V N 5.338 125.315 119.914 0.105 0.000 2.294 123 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 123 V C 0.209 176.331 176.094 0.047 0.000 1.027 123 V CA -0.419 61.921 62.300 0.067 0.000 0.823 123 V CB 1.146 33.011 31.823 0.070 0.000 1.030 123 V HN 1.076 nan 8.190 nan 0.000 0.457 124 D N 1.852 122.274 120.400 0.036 0.000 2.501 124 D HA 0.016 4.656 4.640 -0.000 0.000 0.226 124 D C 1.201 177.510 176.300 0.015 0.000 1.198 124 D CA 0.203 54.215 54.000 0.020 0.000 0.830 124 D CB 0.381 41.192 40.800 0.017 0.000 1.014 124 D HN 0.543 nan 8.370 nan 0.000 0.496 125 T N -2.130 112.437 114.554 0.021 0.000 3.174 125 T HA 0.307 4.657 4.350 -0.000 0.000 0.269 125 T C 0.665 175.377 174.700 0.021 0.000 1.017 125 T CA -0.545 61.566 62.100 0.018 0.000 0.899 125 T CB -0.264 68.616 68.868 0.019 0.000 1.077 125 T HN 0.036 nan 8.240 nan 0.000 0.552 126 L N 2.040 123.277 121.223 0.023 0.000 2.467 126 L HA 0.305 4.645 4.340 -0.000 0.000 0.270 126 L C 1.149 178.030 176.870 0.019 0.000 1.205 126 L CA -0.525 54.332 54.840 0.028 0.000 0.828 126 L CB 0.438 42.518 42.059 0.035 0.000 1.101 126 L HN 0.248 nan 8.230 nan 0.000 0.479 127 S N 1.785 117.499 115.700 0.024 0.000 2.568 127 S HA 0.104 4.574 4.470 -0.000 0.000 0.282 127 S C -1.492 173.114 174.600 0.010 0.000 1.338 127 S CA -1.011 57.199 58.200 0.018 0.000 1.045 127 S CB 0.829 64.043 63.200 0.023 0.000 0.873 127 S HN 0.389 nan 8.310 nan 0.000 0.516 128 P HA -0.039 nan 4.420 nan 0.000 0.225 128 P C 1.239 178.535 177.300 -0.005 0.000 1.148 128 P CA 1.100 64.194 63.100 -0.010 0.000 0.779 128 P CB -0.153 31.540 31.700 -0.011 0.000 0.780 129 T N -5.602 108.958 114.554 0.011 0.000 3.067 129 T HA 0.099 4.449 4.350 -0.000 0.000 0.261 129 T C 1.025 175.752 174.700 0.045 0.000 1.110 129 T CA 0.090 62.203 62.100 0.022 0.000 1.113 129 T CB -0.523 68.362 68.868 0.028 0.000 0.917 129 T HN -0.098 nan 8.240 nan 0.000 0.499 130 S N 1.201 116.931 115.700 0.051 0.000 2.580 130 S HA 0.295 4.765 4.470 -0.000 0.000 0.274 130 S C -0.581 174.092 174.600 0.120 0.000 1.329 130 S CA -0.998 57.261 58.200 0.098 0.000 1.036 130 S CB 0.221 63.478 63.200 0.096 0.000 0.919 130 S HN 0.590 nan 8.310 nan 0.000 0.515 131 W N 2.891 124.199 121.300 0.013 0.000 2.322 131 W HA 0.185 4.845 4.660 0.000 0.000 0.328 131 W C 0.274 176.808 176.519 0.024 0.000 1.395 131 W CA 0.336 57.688 57.345 0.012 0.000 1.267 131 W CB 0.183 29.650 29.460 0.012 0.000 1.259 131 W HN 0.531 nan 8.180 nan 0.000 0.560 132 Q N 4.967 124.415 119.800 -0.586 0.000 2.347 132 Q HA 0.597 4.937 4.340 -0.000 0.000 0.271 132 Q C -0.685 174.852 176.000 -0.771 0.000 1.064 132 Q CA -0.873 54.684 55.803 -0.410 0.000 0.800 132 Q CB 1.785 30.371 28.738 -0.254 0.000 1.304 132 Q HN 0.596 nan 8.270 nan 0.000 0.438 133 A N 2.183 124.802 122.820 -0.334 0.000 2.407 133 A HA 0.285 4.605 4.320 -0.000 0.000 0.248 133 A C 0.443 177.871 177.584 -0.260 0.000 1.082 133 A CA -0.040 51.881 52.037 -0.193 0.000 0.785 133 A CB 0.786 19.909 19.000 0.205 0.000 1.020 133 A HN 0.871 nan 8.150 nan 0.000 0.489 134 S N -0.602 114.967 115.700 -0.219 0.000 2.492 134 S HA 0.118 4.588 4.470 -0.000 0.000 0.218 134 S C 0.867 175.366 174.600 -0.169 0.000 1.016 134 S CA 0.884 58.972 58.200 -0.186 0.000 0.916 134 S CB -0.004 63.104 63.200 -0.152 0.000 0.791 134 S HN 1.104 nan 8.310 nan 0.000 0.513 135 T N -1.321 113.174 114.554 -0.099 0.000 2.883 135 T HA 0.626 4.976 4.350 -0.000 0.000 0.296 135 T C -0.856 173.791 174.700 -0.088 0.000 1.117 135 T CA -0.707 61.330 62.100 -0.105 0.000 1.006 135 T CB 0.736 69.648 68.868 0.073 0.000 1.191 135 T HN -0.088 nan 8.240 nan 0.000 0.508 136 F N 3.066 123.097 119.950 0.134 0.000 2.661 136 F HA 0.359 4.886 4.527 -0.000 0.000 0.356 136 F C 0.457 176.302 175.800 0.076 0.000 1.244 136 F CA -1.886 56.152 58.000 0.063 0.000 1.290 136 F CB -1.124 37.889 39.000 0.022 0.000 1.677 136 F HN 0.556 nan 8.300 nan 0.000 0.649 137 F N -0.802 119.252 119.950 0.173 0.000 2.399 137 F HA 0.594 5.121 4.527 -0.000 0.000 0.313 137 F C -0.095 175.779 175.800 0.123 0.000 1.202 137 F CA -1.571 56.508 58.000 0.130 0.000 1.192 137 F CB -0.140 38.928 39.000 0.114 0.000 1.256 137 F HN -0.190 nan 8.300 nan 0.000 0.558 138 V N 2.456 122.494 119.914 0.206 0.000 2.470 138 V HA 0.345 4.465 4.120 -0.000 0.000 0.276 138 V C 0.070 176.153 176.094 -0.019 0.000 1.040 138 V CA -0.188 62.147 62.300 0.058 0.000 1.008 138 V CB 0.060 31.949 31.823 0.111 0.000 0.990 138 V HN 0.743 nan 8.190 nan 0.000 0.477 139 R N 3.699 124.109 120.500 -0.149 0.000 2.673 139 R HA 0.448 4.788 4.340 -0.000 0.000 0.281 139 R C -0.043 176.209 176.300 -0.080 0.000 0.991 139 R CA -0.855 55.126 56.100 -0.200 0.000 0.896 139 R CB 1.394 31.449 30.300 -0.409 0.000 1.201 139 R HN 0.739 nan 8.270 nan 0.000 0.457 140 N N 1.034 119.713 118.700 -0.035 0.000 2.735 140 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 140 N C 0.435 175.937 175.510 -0.014 0.000 1.083 140 N CA 1.520 54.557 53.050 -0.021 0.000 0.703 140 N CB -1.104 37.366 38.487 -0.028 0.000 1.005 140 N HN 1.096 nan 8.380 nan 0.000 0.550 141 G N -1.327 107.470 108.800 -0.006 0.000 2.155 141 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.257 141 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.257 141 G C 0.349 175.245 174.900 -0.005 0.000 0.983 141 G CA 1.008 46.108 45.100 -0.001 0.000 0.676 141 G HN 1.346 nan 8.290 nan 0.000 0.528 142 S N -0.672 115.020 115.700 -0.015 0.000 2.573 142 S HA 0.396 4.866 4.470 -0.000 0.000 0.277 142 S C 0.221 174.812 174.600 -0.014 0.000 1.346 142 S CA 0.115 58.303 58.200 -0.020 0.000 1.034 142 S CB 1.652 64.832 63.200 -0.033 0.000 0.879 142 S HN 0.666 nan 8.310 nan 0.000 0.528 143 N N 2.316 121.000 118.700 -0.026 0.000 2.527 143 N HA 0.348 5.088 4.740 -0.000 0.000 0.236 143 N C -1.556 173.939 175.510 -0.025 0.000 0.999 143 N CA -2.541 50.486 53.050 -0.039 0.000 0.935 143 N CB 1.204 39.640 38.487 -0.085 0.000 1.132 143 N HN 0.399 nan 8.380 nan 0.000 0.511 144 P HA -0.050 nan 4.420 nan 0.000 0.230 144 P C 0.260 177.582 177.300 0.037 0.000 1.158 144 P CA 0.812 63.929 63.100 0.028 0.000 0.769 144 P CB 0.584 32.316 31.700 0.053 0.000 0.807 145 E N -0.144 120.067 120.200 0.019 0.000 2.347 145 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 145 E C 0.884 177.499 176.600 0.026 0.000 1.008 145 E CA 0.573 57.011 56.400 0.062 0.000 0.852 145 E CB -0.073 29.619 29.700 -0.014 0.000 0.783 145 E HN 0.310 nan 8.360 nan 0.000 0.505 146 Q N 2.188 121.966 119.800 -0.037 0.000 2.314 146 Q HA 0.035 4.375 4.340 -0.000 0.000 0.257 146 Q C -0.843 175.163 176.000 0.009 0.000 0.975 146 Q CA -0.269 55.509 55.803 -0.042 0.000 0.933 146 Q CB 0.822 29.517 28.738 -0.071 0.000 1.195 146 Q HN -0.199 nan 8.270 nan 0.000 0.426 147 D N 6.149 126.573 120.400 0.040 0.000 2.363 147 D HA 0.016 4.656 4.640 -0.000 0.000 0.263 147 D C -1.643 174.669 176.300 0.020 0.000 1.258 147 D CA -1.674 52.348 54.000 0.037 0.000 0.907 147 D CB 1.228 42.062 40.800 0.057 0.000 1.107 147 D HN 0.445 nan 8.370 nan 0.000 0.495 148 P HA -0.088 nan 4.420 nan 0.000 0.225 148 P C 1.191 178.490 177.300 -0.002 0.000 1.148 148 P CA 0.692 63.787 63.100 -0.008 0.000 0.779 148 P CB 0.271 31.954 31.700 -0.028 0.000 0.780 149 L N -1.244 119.982 121.223 0.004 0.000 2.607 149 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 149 L C 1.471 178.351 176.870 0.016 0.000 1.123 149 L CA 0.185 55.028 54.840 0.005 0.000 0.890 149 L CB -0.160 41.898 42.059 -0.002 0.000 1.103 149 L HN -0.172 nan 8.230 nan 0.000 0.468 150 R N -0.162 120.358 120.500 0.033 0.000 2.776 150 R HA 0.217 4.557 4.340 -0.000 0.000 0.391 150 R C -0.392 175.964 176.300 0.092 0.000 1.116 150 R CA -0.273 55.859 56.100 0.053 0.000 1.056 150 R CB 0.252 30.585 30.300 0.055 0.000 1.369 150 R HN 0.046 nan 8.270 nan 0.000 0.590 151 N N 0.548 119.281 118.700 0.056 0.000 2.432 151 N HA 0.357 5.097 4.740 -0.000 0.000 0.292 151 N C -0.786 174.658 175.510 -0.111 0.000 1.193 151 N CA -0.673 52.399 53.050 0.036 0.000 0.878 151 N CB 1.261 39.764 38.487 0.026 0.000 1.252 151 N HN 0.074 nan 8.380 nan 0.000 0.520 152 L N 2.181 123.198 121.223 -0.342 0.000 2.417 152 L HA 0.215 4.555 4.340 -0.000 0.000 0.258 152 L C 1.302 177.998 176.870 -0.290 0.000 1.088 152 L CA -0.272 54.226 54.840 -0.569 0.000 0.975 152 L CB 0.414 41.709 42.059 -1.273 0.000 1.341 152 L HN 0.669 nan 8.230 nan 0.000 0.431 153 S N -0.424 115.192 115.700 -0.140 0.000 2.453 153 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 153 S C 1.707 176.273 174.600 -0.056 0.000 1.005 153 S CA 0.793 58.956 58.200 -0.061 0.000 0.949 153 S CB -0.042 63.134 63.200 -0.040 0.000 0.774 153 S HN 0.623 nan 8.310 nan 0.000 0.510 154 G N 0.379 109.125 108.800 -0.090 0.000 2.880 154 G HA2 0.117 4.077 3.960 -0.000 0.000 0.209 154 G HA3 0.117 4.077 3.960 -0.000 0.000 0.209 154 G C 0.525 175.395 174.900 -0.050 0.000 1.157 154 G CA -0.332 44.731 45.100 -0.062 0.000 0.779 154 G HN 0.342 nan 8.290 nan 0.000 0.539 155 Q N 0.532 120.277 119.800 -0.091 0.000 2.361 155 Q HA 0.517 4.857 4.340 -0.000 0.000 0.276 155 Q C -0.121 175.912 176.000 0.055 0.000 1.022 155 Q CA 0.338 56.117 55.803 -0.040 0.000 0.898 155 Q CB 1.434 30.113 28.738 -0.098 0.000 1.246 155 Q HN 0.294 nan 8.270 nan 0.000 0.410 156 A N 1.756 124.623 122.820 0.079 0.000 2.610 156 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 156 A C -1.130 176.523 177.584 0.115 0.000 1.086 156 A CA -0.480 51.613 52.037 0.094 0.000 0.677 156 A CB 1.199 20.245 19.000 0.077 0.000 1.278 156 A HN 0.478 nan 8.150 nan 0.000 0.414 157 V N -2.118 117.877 119.914 0.134 0.000 3.040 157 V HA 0.957 5.076 4.120 -0.000 0.000 0.312 157 V C -0.430 175.740 176.094 0.128 0.000 1.115 157 V CA -0.558 61.838 62.300 0.161 0.000 0.998 157 V CB 1.622 33.606 31.823 0.268 0.000 1.042 157 V HN 0.929 nan 8.190 nan 0.000 0.433 158 T N 2.499 117.118 114.554 0.107 0.000 2.824 158 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 158 T C -0.355 174.370 174.700 0.042 0.000 0.993 158 T CA -0.504 61.636 62.100 0.067 0.000 0.967 158 T CB 1.161 70.059 68.868 0.049 0.000 0.960 158 T HN 0.770 nan 8.240 nan 0.000 0.441 159 R N 2.612 123.127 120.500 0.025 0.000 2.396 159 R HA 0.580 4.920 4.340 -0.000 0.000 0.292 159 R C -0.730 175.571 176.300 0.002 0.000 1.240 159 R CA -0.590 55.500 56.100 -0.016 0.000 1.270 159 R CB 0.694 30.959 30.300 -0.058 0.000 1.108 159 R HN 0.489 nan 8.270 nan 0.000 0.573 160 V N -1.950 117.966 119.914 0.004 0.000 3.087 160 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 160 V C 0.127 176.227 176.094 0.011 0.000 1.187 160 V CA -1.203 61.105 62.300 0.013 0.000 0.999 160 V CB 1.959 33.794 31.823 0.020 0.000 1.049 160 V HN 0.124 nan 8.190 nan 0.000 0.431 161 V N 3.556 123.482 119.914 0.019 0.000 2.509 161 V HA 0.443 4.562 4.120 -0.000 0.000 0.297 161 V C 1.727 177.835 176.094 0.023 0.000 1.014 161 V CA 2.086 64.400 62.300 0.024 0.000 1.127 161 V CB -0.066 31.774 31.823 0.029 0.000 0.925 161 V HN 2.064 nan 8.190 nan 0.000 0.480 162 G N 3.208 112.020 108.800 0.019 0.000 2.194 162 G HA2 0.044 4.004 3.960 -0.000 0.000 0.236 162 G HA3 0.044 4.004 3.960 -0.000 0.000 0.236 162 G C 0.989 175.878 174.900 -0.019 0.000 0.987 162 G CA 0.245 45.349 45.100 0.008 0.000 0.635 162 G HN 2.180 nan 8.290 nan 0.000 0.520 163 G N -0.012 108.782 108.800 -0.009 0.000 2.564 163 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 163 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 163 G C 1.141 176.030 174.900 -0.018 0.000 1.242 163 G CA 1.026 46.120 45.100 -0.010 0.000 0.951 163 G HN 1.068 nan 8.290 nan 0.000 0.564 164 M N 1.440 121.031 119.600 -0.014 0.000 2.460 164 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 164 M C 2.747 179.009 176.300 -0.063 0.000 1.071 164 M CA 1.875 57.175 55.300 0.000 0.000 1.096 164 M CB -0.305 32.326 32.600 0.052 0.000 1.408 164 M HN 0.790 nan 8.290 nan 0.000 0.463 165 S N -0.353 115.225 115.700 -0.203 0.000 2.547 165 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 165 S C 1.680 176.201 174.600 -0.133 0.000 0.980 165 S CA 1.277 59.226 58.200 -0.418 0.000 0.941 165 S CB -0.984 61.935 63.200 -0.467 0.000 0.763 165 S HN 0.592 nan 8.310 nan 0.000 0.532 166 T N -2.474 112.013 114.554 -0.111 0.000 3.085 166 T HA 0.469 4.819 4.350 -0.000 0.000 0.263 166 T C 1.301 175.815 174.700 -0.311 0.000 1.127 166 T CA 0.554 62.564 62.100 -0.149 0.000 1.103 166 T CB -0.047 68.807 68.868 -0.024 0.000 0.921 166 T HN 0.591 nan 8.240 nan 0.000 0.510 167 A N -0.010 122.704 122.820 -0.177 0.000 2.530 167 A HA 0.418 4.738 4.320 -0.000 0.000 0.214 167 A C 0.712 178.415 177.584 0.197 0.000 1.352 167 A CA -0.637 51.434 52.037 0.055 0.000 1.035 167 A CB -0.112 18.912 19.000 0.040 0.000 1.296 167 A HN 0.633 nan 8.150 nan 0.000 0.563 168 W N 0.107 121.361 121.300 -0.077 0.000 2.034 168 W HA 0.514 5.174 4.660 -0.000 0.000 0.357 168 W C 0.739 177.255 176.519 -0.004 0.000 1.326 168 W CA -0.065 57.287 57.345 0.011 0.000 1.318 168 W CB -0.550 28.941 29.460 0.051 0.000 1.193 168 W HN 0.107 nan 8.180 nan 0.000 0.620 169 G N -0.479 108.187 108.800 -0.223 0.000 2.712 169 G HA2 0.041 4.001 3.960 -0.000 0.000 0.212 169 G HA3 0.041 4.001 3.960 -0.000 0.000 0.212 169 G C 0.721 175.157 174.900 -0.774 0.000 1.142 169 G CA 0.729 45.523 45.100 -0.509 0.000 0.789 169 G HN 0.862 nan 8.290 nan 0.000 0.535 170 C N -1.150 117.272 119.300 -1.463 0.000 4.617 170 C HA -0.114 4.346 4.460 -0.000 0.000 0.260 170 C C 1.525 176.040 174.990 -0.790 0.000 1.288 170 C CA -0.873 57.134 59.018 -1.684 0.000 1.668 170 C CB -2.262 25.006 27.740 -0.786 0.000 1.518 170 C HN 0.884 nan 8.230 nan 0.000 0.708 171 A N 1.163 123.699 122.820 -0.475 0.000 2.347 171 A HA 0.573 4.893 4.320 -0.000 0.000 0.287 171 A C 0.706 178.194 177.584 -0.160 0.000 1.199 171 A CA 1.018 52.936 52.037 -0.197 0.000 0.851 171 A CB 0.187 19.152 19.000 -0.057 0.000 1.118 171 A HN 1.297 nan 8.150 nan 0.000 0.525 172 T N 1.873 116.345 114.554 -0.136 0.000 3.331 172 T HA 0.553 4.903 4.350 -0.000 0.000 0.381 172 T C -2.694 171.944 174.700 -0.103 0.000 1.656 172 T CA -1.534 60.514 62.100 -0.086 0.000 1.453 172 T CB 0.743 69.571 68.868 -0.068 0.000 1.066 172 T HN 0.461 nan 8.240 nan 0.000 0.655 173 P HA 0.458 nan 4.420 nan 0.000 0.284 173 P C -0.382 176.769 177.300 -0.248 0.000 1.258 173 P CA -0.779 62.222 63.100 -0.166 0.000 0.824 173 P CB 1.504 33.096 31.700 -0.179 0.000 1.038 174 R N 0.969 121.246 120.500 -0.372 0.000 2.531 174 R HA 0.426 4.766 4.340 -0.000 0.000 0.273 174 R C 0.139 176.348 176.300 -0.152 0.000 1.070 174 R CA -0.491 55.197 56.100 -0.688 0.000 1.112 174 R CB 0.237 29.989 30.300 -0.914 0.000 1.049 174 R HN 0.376 nan 8.270 nan 0.000 0.508 175 F N 1.617 121.353 119.950 -0.357 0.000 2.389 175 F HA 0.063 4.590 4.527 0.000 0.000 0.337 175 F C 1.067 176.700 175.800 -0.278 0.000 1.112 175 F CA -1.335 56.483 58.000 -0.305 0.000 1.192 175 F CB 0.259 39.067 39.000 -0.320 0.000 1.185 175 F HN 0.545 nan 8.300 nan 0.000 0.552 176 D N 1.720 122.070 120.400 -0.083 0.000 2.466 176 D HA 0.221 4.861 4.640 -0.000 0.000 0.262 176 D C 0.909 177.139 176.300 -0.118 0.000 1.177 176 D CA -0.536 53.410 54.000 -0.089 0.000 1.035 176 D CB 0.611 41.373 40.800 -0.063 0.000 1.105 176 D HN 0.432 nan 8.370 nan 0.000 0.551 177 R N -0.334 120.120 120.500 -0.077 0.000 2.091 177 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 177 R C 2.046 178.304 176.300 -0.069 0.000 1.136 177 R CA 1.416 57.478 56.100 -0.063 0.000 0.959 177 R CB -0.210 30.086 30.300 -0.006 0.000 0.856 177 R HN 0.616 nan 8.270 nan 0.000 0.437 178 E N 0.671 120.827 120.200 -0.074 0.000 2.160 178 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 178 E C 1.465 177.969 176.600 -0.160 0.000 0.991 178 E CA 1.191 57.550 56.400 -0.067 0.000 0.810 178 E CB 0.178 29.886 29.700 0.013 0.000 0.742 178 E HN 0.449 nan 8.360 nan 0.000 0.466 179 Q N -0.588 119.027 119.800 -0.309 0.000 2.319 179 Q HA 0.129 4.469 4.340 -0.000 0.000 0.202 179 Q C 0.285 176.203 176.000 -0.137 0.000 0.896 179 Q CA -0.112 55.450 55.803 -0.402 0.000 0.942 179 Q CB 0.729 28.935 28.738 -0.886 0.000 1.083 179 Q HN -0.086 nan 8.270 nan 0.000 0.510 180 R N 2.083 122.540 120.500 -0.070 0.000 2.532 180 R HA 0.309 4.649 4.340 -0.000 0.000 0.295 180 R C -2.470 173.854 176.300 0.040 0.000 0.968 180 R CA -2.153 53.916 56.100 -0.051 0.000 0.916 180 R CB 1.064 31.161 30.300 -0.339 0.000 1.124 180 R HN -0.091 nan 8.270 nan 0.000 0.463 181 P HA 0.003 nan 4.420 nan 0.000 0.269 181 P C -0.603 176.891 177.300 0.323 0.000 1.209 181 P CA 0.036 63.257 63.100 0.202 0.000 0.776 181 P CB 0.742 32.560 31.700 0.198 0.000 0.876 182 L N 2.925 124.293 121.223 0.243 0.000 2.397 182 L HA 0.158 4.498 4.340 -0.000 0.000 0.271 182 L C 1.696 178.700 176.870 0.224 0.000 1.148 182 L CA -0.170 54.864 54.840 0.323 0.000 0.825 182 L CB 0.250 42.550 42.059 0.402 0.000 1.117 182 L HN 0.401 nan 8.230 nan 0.000 0.456 183 L N 3.126 124.495 121.223 0.242 0.000 2.749 183 L HA 0.243 4.583 4.340 -0.000 0.000 0.242 183 L C -0.404 176.606 176.870 0.232 0.000 1.103 183 L CA 0.129 55.001 54.840 0.053 0.000 0.906 183 L CB 1.008 42.900 42.059 -0.278 0.000 1.228 183 L HN 0.333 nan 8.230 nan 0.000 0.517 184 V N 1.263 121.341 119.914 0.274 0.000 2.577 184 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 184 V C -0.302 175.880 176.094 0.147 0.000 1.042 184 V CA -1.098 61.316 62.300 0.191 0.000 0.872 184 V CB 1.821 33.698 31.823 0.089 0.000 0.998 184 V HN 0.088 nan 8.190 nan 0.000 0.423 185 K N 1.544 121.903 120.400 -0.068 0.000 2.107 185 K HA 0.243 4.563 4.320 -0.000 0.000 0.251 185 K C -0.134 176.430 176.600 -0.060 0.000 1.012 185 K CA -0.450 55.741 56.287 -0.160 0.000 0.920 185 K CB 0.311 32.520 32.500 -0.484 0.000 1.033 185 K HN 0.649 nan 8.250 nan 0.000 0.478 186 D N 1.028 121.407 120.400 -0.035 0.000 2.903 186 D HA -0.199 4.441 4.640 -0.000 0.000 0.210 186 D C -0.795 175.506 176.300 0.003 0.000 1.263 186 D CA 1.440 55.434 54.000 -0.010 0.000 0.661 186 D CB -0.679 40.106 40.800 -0.026 0.000 0.936 186 D HN 0.626 nan 8.370 nan 0.000 0.392 187 D N -1.604 118.812 120.400 0.026 0.000 2.349 187 D HA 0.288 4.928 4.640 -0.000 0.000 0.224 187 D C 0.588 176.923 176.300 0.059 0.000 1.323 187 D CA -0.029 53.992 54.000 0.035 0.000 0.917 187 D CB 0.373 41.188 40.800 0.025 0.000 1.524 187 D HN 0.015 nan 8.370 nan 0.000 0.505 188 A N 2.764 125.620 122.820 0.060 0.000 1.929 188 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 188 A C 1.619 179.251 177.584 0.081 0.000 1.176 188 A CA 1.251 53.334 52.037 0.077 0.000 0.628 188 A CB 0.015 19.053 19.000 0.064 0.000 0.816 188 A HN 0.541 nan 8.150 nan 0.000 0.444 189 D N 0.211 120.648 120.400 0.062 0.000 2.117 189 D HA -0.045 4.595 4.640 -0.000 0.000 0.198 189 D C 2.230 178.567 176.300 0.063 0.000 0.982 189 D CA 1.371 55.406 54.000 0.058 0.000 0.828 189 D CB -0.234 40.592 40.800 0.043 0.000 0.967 189 D HN 0.434 nan 8.370 nan 0.000 0.464 190 A N 1.084 123.937 122.820 0.056 0.000 1.930 190 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 190 A C 1.932 179.556 177.584 0.067 0.000 1.175 190 A CA 1.924 53.991 52.037 0.050 0.000 0.627 190 A CB -0.474 18.549 19.000 0.038 0.000 0.815 190 A HN 0.150 nan 8.150 nan 0.000 0.443 191 D N -0.315 120.148 120.400 0.105 0.000 2.077 191 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 191 D C 1.323 177.773 176.300 0.250 0.000 0.986 191 D CA 1.425 55.527 54.000 0.170 0.000 0.829 191 D CB -0.115 40.819 40.800 0.223 0.000 0.983 191 D HN 0.309 nan 8.370 nan 0.000 0.453 192 D N 0.217 120.752 120.400 0.225 0.000 2.133 192 D HA -0.241 4.399 4.640 -0.000 0.000 0.192 192 D C 1.990 178.404 176.300 0.191 0.000 1.001 192 D CA 1.579 55.711 54.000 0.220 0.000 0.844 192 D CB -0.667 40.215 40.800 0.136 0.000 0.944 192 D HN 0.349 nan 8.370 nan 0.000 0.447 193 A N 0.681 123.573 122.820 0.120 0.000 1.883 193 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 193 A C 2.180 179.796 177.584 0.054 0.000 1.186 193 A CA 2.140 54.223 52.037 0.077 0.000 0.624 193 A CB -0.595 18.434 19.000 0.048 0.000 0.822 193 A HN 0.223 nan 8.150 nan 0.000 0.444 194 E N -1.157 119.054 120.200 0.018 0.000 2.106 194 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 194 E C 1.651 178.165 176.600 -0.143 0.000 0.984 194 E CA 1.319 57.658 56.400 -0.101 0.000 0.806 194 E CB -0.425 29.165 29.700 -0.183 0.000 0.750 194 E HN 0.743 nan 8.360 nan 0.000 0.458 195 W N 0.407 121.671 121.300 -0.060 0.000 2.467 195 W HA 0.004 4.664 4.660 -0.000 0.000 0.275 195 W C 1.884 178.389 176.519 -0.023 0.000 1.239 195 W CA 0.936 58.200 57.345 -0.136 0.000 1.266 195 W CB -0.036 29.377 29.460 -0.079 0.000 1.112 195 W HN 0.231 nan 8.180 nan 0.000 0.576 196 D N 0.008 120.576 120.400 0.280 0.000 2.123 196 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 196 D C 2.155 178.537 176.300 0.136 0.000 0.976 196 D CA 1.261 55.399 54.000 0.230 0.000 0.831 196 D CB -0.094 40.800 40.800 0.158 0.000 0.974 196 D HN -0.074 nan 8.370 nan 0.000 0.469 197 R N -0.327 120.207 120.500 0.057 0.000 2.083 197 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 197 R C 2.357 178.633 176.300 -0.040 0.000 1.137 197 R CA 1.297 57.394 56.100 -0.004 0.000 0.951 197 R CB -0.287 29.987 30.300 -0.043 0.000 0.851 197 R HN 0.271 nan 8.270 nan 0.000 0.434 198 L N -0.842 120.326 121.223 -0.091 0.000 2.109 198 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 198 L C 2.200 179.029 176.870 -0.069 0.000 1.086 198 L CA 0.771 55.509 54.840 -0.169 0.000 0.760 198 L CB -0.423 41.432 42.059 -0.340 0.000 0.910 198 L HN 0.202 nan 8.230 nan 0.000 0.437 199 Y N 0.419 120.735 120.300 0.025 0.000 2.200 199 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 199 Y C 2.848 178.738 175.900 -0.018 0.000 1.137 199 Y CA 1.245 59.364 58.100 0.032 0.000 1.163 199 Y CB -1.007 37.501 38.460 0.080 0.000 0.988 199 Y HN 0.114 nan 8.280 nan 0.000 0.518 200 T N -0.292 114.349 114.554 0.145 0.000 2.674 200 T HA -0.233 4.117 4.350 -0.000 0.000 0.265 200 T C 1.997 176.681 174.700 -0.027 0.000 1.039 200 T CA 1.815 63.947 62.100 0.054 0.000 1.150 200 T CB -0.245 68.646 68.868 0.039 0.000 0.864 200 T HN 0.165 nan 8.240 nan 0.000 0.427 201 K N 0.911 121.247 120.400 -0.106 0.000 2.044 201 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 201 K C 2.416 178.746 176.600 -0.449 0.000 1.049 201 K CA 1.457 57.572 56.287 -0.287 0.000 0.927 201 K CB -0.356 31.924 32.500 -0.367 0.000 0.713 201 K HN 0.297 nan 8.250 nan 0.000 0.443 202 A N 0.906 123.562 122.820 -0.273 0.000 1.930 202 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 202 A C 1.824 179.440 177.584 0.053 0.000 1.175 202 A CA 1.655 53.584 52.037 -0.179 0.000 0.627 202 A CB -0.457 18.564 19.000 0.034 0.000 0.815 202 A HN 0.454 nan 8.150 nan 0.000 0.443 203 E N -0.186 120.075 120.200 0.101 0.000 2.118 203 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 203 E C 2.286 178.980 176.600 0.156 0.000 0.992 203 E CA 1.397 57.890 56.400 0.154 0.000 0.804 203 E CB -0.176 29.578 29.700 0.090 0.000 0.741 203 E HN 0.695 nan 8.360 nan 0.000 0.458 204 S N -0.105 115.643 115.700 0.080 0.000 2.371 204 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 204 S C 1.937 176.699 174.600 0.270 0.000 1.029 204 S CA 0.682 58.959 58.200 0.129 0.000 0.978 204 S CB -0.275 62.971 63.200 0.077 0.000 0.833 204 S HN 0.227 nan 8.310 nan 0.000 0.466 205 Y N 0.525 120.846 120.300 0.035 0.000 2.165 205 Y HA 0.011 4.561 4.550 0.000 0.000 0.286 205 Y C 2.115 178.038 175.900 0.038 0.000 1.155 205 Y CA 0.446 58.528 58.100 -0.029 0.000 1.164 205 Y CB -1.193 37.168 38.460 -0.165 0.000 0.978 205 Y HN 0.347 nan 8.280 nan 0.000 0.513 206 F N 0.068 120.180 119.950 0.270 0.000 2.710 206 F HA 0.030 4.557 4.527 0.000 0.000 0.298 206 F C 0.877 176.794 175.800 0.194 0.000 1.137 206 F CA 0.287 58.435 58.000 0.246 0.000 1.444 206 F CB -0.250 38.913 39.000 0.272 0.000 1.111 206 F HN 0.001 nan 8.300 nan 0.000 0.580 207 Q N 0.597 120.597 119.800 0.334 0.000 2.478 207 Q HA -0.184 4.156 4.340 -0.000 0.000 0.286 207 Q C 0.059 176.153 176.000 0.157 0.000 1.299 207 Q CA 0.763 56.686 55.803 0.199 0.000 0.826 207 Q CB -2.584 26.247 28.738 0.157 0.000 1.199 207 Q HN 0.225 nan 8.270 nan 0.000 0.451 208 T N -0.238 114.419 114.554 0.173 0.000 2.930 208 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 208 T C 0.788 175.518 174.700 0.051 0.000 1.045 208 T CA 0.512 62.671 62.100 0.098 0.000 1.134 208 T CB 1.395 70.321 68.868 0.097 0.000 0.961 208 T HN 0.482 nan 8.240 nan 0.000 0.545 209 G N 0.277 109.090 108.800 0.022 0.000 2.708 209 G HA2 0.558 4.518 3.960 -0.000 0.000 0.289 209 G HA3 0.558 4.518 3.960 -0.000 0.000 0.289 209 G C -0.048 174.860 174.900 0.013 0.000 1.416 209 G CA -0.541 44.566 45.100 0.011 0.000 0.829 209 G HN 0.673 nan 8.290 nan 0.000 0.480 210 T N -2.319 112.244 114.554 0.015 0.000 3.442 210 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 210 T C 0.047 174.765 174.700 0.030 0.000 1.007 210 T CA 0.488 62.606 62.100 0.030 0.000 0.962 210 T CB 0.269 69.158 68.868 0.035 0.000 1.187 210 T HN 0.572 nan 8.240 nan 0.000 0.490 211 D N 0.059 120.461 120.400 0.004 0.000 2.516 211 D HA 0.017 4.657 4.640 -0.000 0.000 0.241 211 D C 1.101 177.344 176.300 -0.094 0.000 1.246 211 D CA -0.083 53.900 54.000 -0.028 0.000 0.808 211 D CB -0.063 40.715 40.800 -0.036 0.000 1.147 211 D HN 0.284 nan 8.370 nan 0.000 0.527 212 Q N -0.292 119.450 119.800 -0.097 0.000 2.436 212 Q HA 0.169 4.509 4.340 -0.000 0.000 0.209 212 Q C 0.269 175.902 176.000 -0.612 0.000 0.965 212 Q CA 0.877 56.494 55.803 -0.309 0.000 0.910 212 Q CB -0.269 28.270 28.738 -0.332 0.000 0.980 212 Q HN 0.277 nan 8.270 nan 0.000 0.491 213 F N -0.221 119.564 119.950 -0.275 0.000 2.698 213 F HA 0.234 4.761 4.527 -0.000 0.000 0.304 213 F C 1.220 176.830 175.800 -0.316 0.000 1.108 213 F CA -0.563 57.233 58.000 -0.340 0.000 1.263 213 F CB 0.334 39.045 39.000 -0.482 0.000 1.013 213 F HN 0.007 nan 8.300 nan 0.000 0.532 214 K N 0.336 120.651 120.400 -0.142 0.000 2.362 214 K HA -0.064 4.256 4.320 -0.000 0.000 0.200 214 K C 0.552 177.049 176.600 -0.172 0.000 1.046 214 K CA 1.532 57.786 56.287 -0.054 0.000 0.952 214 K CB -0.121 32.340 32.500 -0.065 0.000 0.753 214 K HN 0.291 nan 8.250 nan 0.000 0.466 215 E N 1.540 121.498 120.200 -0.403 0.000 2.585 215 E HA 0.062 4.412 4.350 -0.000 0.000 0.206 215 E C -0.853 175.526 176.600 -0.369 0.000 1.007 215 E CA -0.282 55.586 56.400 -0.887 0.000 1.028 215 E CB 1.037 30.110 29.700 -1.046 0.000 1.087 215 E HN 0.197 nan 8.360 nan 0.000 0.455 216 S N 0.682 116.372 115.700 -0.018 0.000 2.489 216 S HA 0.243 4.713 4.470 -0.000 0.000 0.277 216 S C 1.118 175.849 174.600 0.219 0.000 1.230 216 S CA -0.474 57.803 58.200 0.127 0.000 1.053 216 S CB 0.637 63.973 63.200 0.228 0.000 0.955 216 S HN 0.221 nan 8.310 nan 0.000 0.488 217 I N 4.909 125.471 120.570 -0.014 0.000 2.163 217 I HA -0.128 4.042 4.170 -0.000 0.000 0.240 217 I C 2.673 178.623 176.117 -0.279 0.000 1.081 217 I CA 1.096 62.102 61.300 -0.491 0.000 1.353 217 I CB -0.142 37.341 38.000 -0.862 0.000 1.054 217 I HN 0.704 nan 8.210 nan 0.000 0.407 218 R N -0.620 119.807 120.500 -0.122 0.000 2.081 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.235 218 R C 2.349 178.685 176.300 0.060 0.000 1.131 218 R CA 1.811 57.894 56.100 -0.029 0.000 0.960 218 R CB -0.710 29.586 30.300 -0.007 0.000 0.856 218 R HN 0.438 nan 8.270 nan 0.000 0.436 219 H N 1.188 120.290 119.070 0.053 0.000 2.290 219 H HA -0.058 4.498 4.556 0.000 0.000 0.298 219 H C 1.782 177.193 175.328 0.138 0.000 1.087 219 H CA 1.943 58.044 56.048 0.089 0.000 1.291 219 H CB -0.092 29.757 29.762 0.144 0.000 1.369 219 H HN 0.122 nan 8.280 nan 0.000 0.492 220 N N 0.081 118.888 118.700 0.178 0.000 2.216 220 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 220 N C 2.039 177.698 175.510 0.248 0.000 1.017 220 N CA 0.960 54.154 53.050 0.240 0.000 0.861 220 N CB -0.257 38.578 38.487 0.579 0.000 0.986 220 N HN 0.299 nan 8.380 nan 0.000 0.428 221 L N 1.393 122.784 121.223 0.281 0.000 1.990 221 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 221 L C 2.155 179.090 176.870 0.108 0.000 1.072 221 L CA 1.446 56.453 54.840 0.277 0.000 0.755 221 L CB -0.660 41.506 42.059 0.178 0.000 0.889 221 L HN -0.114 nan 8.230 nan 0.000 0.432 222 V N -0.837 119.090 119.914 0.022 0.000 2.307 222 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 222 V C 2.435 178.464 176.094 -0.108 0.000 1.045 222 V CA 1.565 63.843 62.300 -0.036 0.000 1.024 222 V CB -0.614 31.164 31.823 -0.075 0.000 0.651 222 V HN 0.511 nan 8.190 nan 0.000 0.449 223 L N 0.921 122.043 121.223 -0.169 0.000 2.012 223 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 223 L C 2.192 179.007 176.870 -0.092 0.000 1.073 223 L CA 2.115 56.852 54.840 -0.171 0.000 0.748 223 L CB -0.962 40.958 42.059 -0.232 0.000 0.891 223 L HN 0.304 nan 8.230 nan 0.000 0.431 224 N N -0.154 118.536 118.700 -0.017 0.000 2.120 224 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 224 N C 1.848 177.344 175.510 -0.023 0.000 1.024 224 N CA 1.361 54.416 53.050 0.009 0.000 0.852 224 N CB -0.285 38.233 38.487 0.051 0.000 1.003 224 N HN 0.305 nan 8.380 nan 0.000 0.424 225 K N 1.263 121.648 120.400 -0.025 0.000 2.057 225 K HA 0.063 4.383 4.320 -0.000 0.000 0.206 225 K C 1.915 178.472 176.600 -0.072 0.000 1.050 225 K CA 0.909 57.179 56.287 -0.028 0.000 0.935 225 K CB -0.407 32.095 32.500 0.004 0.000 0.715 225 K HN 0.127 nan 8.250 nan 0.000 0.439 226 L N 0.028 121.140 121.223 -0.185 0.000 2.109 226 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 226 L C 2.195 178.900 176.870 -0.275 0.000 1.086 226 L CA 1.445 56.061 54.840 -0.373 0.000 0.760 226 L CB -0.632 40.788 42.059 -1.066 0.000 0.910 226 L HN 0.237 nan 8.230 nan 0.000 0.437 227 T N -0.735 113.713 114.554 -0.176 0.000 2.708 227 T HA -0.258 4.092 4.350 -0.000 0.000 0.266 227 T C 1.781 176.536 174.700 0.092 0.000 1.037 227 T CA 1.757 63.898 62.100 0.068 0.000 1.146 227 T CB -0.082 68.834 68.868 0.081 0.000 0.865 227 T HN 0.403 nan 8.240 nan 0.000 0.435 228 E N 0.602 120.817 120.200 0.026 0.000 2.047 228 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 228 E C 2.161 178.764 176.600 0.005 0.000 0.987 228 E CA 0.935 57.344 56.400 0.015 0.000 0.799 228 E CB 0.036 29.727 29.700 -0.015 0.000 0.752 228 E HN 0.362 nan 8.360 nan 0.000 0.449 229 E N -0.346 119.840 120.200 -0.023 0.000 2.160 229 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 229 E C 0.986 177.462 176.600 -0.207 0.000 0.991 229 E CA 1.064 57.380 56.400 -0.139 0.000 0.810 229 E CB -0.057 29.521 29.700 -0.203 0.000 0.742 229 E HN 0.497 nan 8.360 nan 0.000 0.466 230 Y N 0.289 120.629 120.300 0.066 0.000 2.636 230 Y HA 0.172 4.722 4.550 -0.000 0.000 0.260 230 Y C 0.605 176.574 175.900 0.114 0.000 1.177 230 Y CA -0.415 57.763 58.100 0.130 0.000 1.209 230 Y CB 0.439 39.074 38.460 0.292 0.000 1.166 230 Y HN -0.255 nan 8.280 nan 0.000 0.531 231 K N 0.913 121.417 120.400 0.174 0.000 2.466 231 K HA 0.130 4.450 4.320 -0.000 0.000 0.278 231 K C 1.141 177.805 176.600 0.107 0.000 1.048 231 K CA 1.325 57.688 56.287 0.127 0.000 1.088 231 K CB -0.153 32.390 32.500 0.071 0.000 0.884 231 K HN 0.636 nan 8.250 nan 0.000 0.478 232 G N 3.264 112.128 108.800 0.107 0.000 2.157 232 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.248 232 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.248 232 G C 0.499 175.457 174.900 0.096 0.000 0.979 232 G CA 0.647 45.797 45.100 0.083 0.000 0.650 232 G HN 0.731 nan 8.290 nan 0.000 0.529 233 Q N -1.520 118.364 119.800 0.140 0.000 2.563 233 Q HA 0.287 4.627 4.340 -0.000 0.000 0.236 233 Q C 1.045 177.124 176.000 0.132 0.000 0.792 233 Q CA 0.055 55.950 55.803 0.154 0.000 0.960 233 Q CB 1.036 29.909 28.738 0.225 0.000 1.304 233 Q HN 0.442 nan 8.270 nan 0.000 0.566 234 R N 0.697 121.282 120.500 0.142 0.000 2.698 234 R HA 0.379 4.719 4.340 -0.000 0.000 0.275 234 R C -1.629 174.659 176.300 -0.020 0.000 1.001 234 R CA -0.712 55.360 56.100 -0.046 0.000 0.896 234 R CB 1.773 31.836 30.300 -0.395 0.000 1.218 234 R HN -0.017 nan 8.270 nan 0.000 0.462 235 D N 1.931 122.251 120.400 -0.132 0.000 2.198 235 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 235 D C -0.672 175.462 176.300 -0.277 0.000 1.079 235 D CA 0.182 54.148 54.000 -0.057 0.000 0.854 235 D CB 1.070 41.855 40.800 -0.025 0.000 1.148 235 D HN 0.143 nan 8.370 nan 0.000 0.456 236 F N 1.019 120.972 119.950 0.004 0.000 2.492 236 F HA 0.363 4.890 4.527 -0.000 0.000 0.327 236 F C 0.745 176.560 175.800 0.025 0.000 1.079 236 F CA -0.672 57.326 58.000 -0.003 0.000 0.967 236 F CB 1.691 40.686 39.000 -0.009 0.000 1.169 236 F HN 0.207 nan 8.300 nan 0.000 0.472 237 Q N 0.353 120.268 119.800 0.191 0.000 2.648 237 Q HA 0.349 4.689 4.340 -0.000 0.000 0.300 237 Q C -1.478 174.635 176.000 0.188 0.000 0.954 237 Q CA -1.266 54.635 55.803 0.163 0.000 0.757 237 Q CB 1.704 30.501 28.738 0.099 0.000 1.482 237 Q HN 0.627 nan 8.270 nan 0.000 0.437 238 Q N 0.888 120.820 119.800 0.220 0.000 2.361 238 Q HA 0.180 4.520 4.340 -0.000 0.000 0.276 238 Q C -0.534 175.524 176.000 0.097 0.000 1.022 238 Q CA -0.080 55.847 55.803 0.207 0.000 0.898 238 Q CB 0.473 29.291 28.738 0.134 0.000 1.246 238 Q HN 0.577 nan 8.270 nan 0.000 0.410 239 I N 6.710 127.315 120.570 0.057 0.000 2.752 239 I HA -0.040 4.130 4.170 -0.000 0.000 0.289 239 I C -1.971 174.154 176.117 0.013 0.000 1.197 239 I CA -1.383 59.930 61.300 0.021 0.000 1.432 239 I CB 0.246 38.234 38.000 -0.019 0.000 1.359 239 I HN 0.480 nan 8.210 nan 0.000 0.571 240 P HA 0.329 nan 4.420 nan 0.000 0.281 240 P C -0.968 176.317 177.300 -0.026 0.000 1.252 240 P CA -0.084 63.012 63.100 -0.007 0.000 0.778 240 P CB 0.641 32.325 31.700 -0.026 0.000 0.895 241 L N 2.147 123.363 121.223 -0.011 0.000 2.408 241 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 241 L C 0.036 176.894 176.870 -0.021 0.000 0.986 241 L CA -1.119 53.712 54.840 -0.014 0.000 0.820 241 L CB 2.268 44.381 42.059 0.090 0.000 1.303 241 L HN 0.259 nan 8.230 nan 0.000 0.411 242 A N 3.157 125.928 122.820 -0.082 0.000 2.527 242 A HA 0.804 5.124 4.320 -0.000 0.000 0.313 242 A C -0.063 177.551 177.584 0.050 0.000 1.410 242 A CA 0.089 52.130 52.037 0.007 0.000 1.060 242 A CB -0.155 18.818 19.000 -0.046 0.000 1.137 242 A HN 0.788 nan 8.150 nan 0.000 0.542 243 A N 1.950 124.758 122.820 -0.020 0.000 2.590 243 A HA 0.726 5.046 4.320 -0.000 0.000 0.296 243 A C -0.514 176.950 177.584 -0.201 0.000 1.050 243 A CA -0.459 51.458 52.037 -0.201 0.000 0.697 243 A CB 0.788 19.455 19.000 -0.555 0.000 1.277 243 A HN 0.642 nan 8.150 nan 0.000 0.411 244 T N 1.466 115.878 114.554 -0.237 0.000 2.840 244 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 244 T C 0.000 174.546 174.700 -0.256 0.000 0.991 244 T CA -0.411 61.577 62.100 -0.186 0.000 0.964 244 T CB 1.162 69.977 68.868 -0.089 0.000 0.954 244 T HN 0.727 nan 8.240 nan 0.000 0.438 245 R N 2.540 122.875 120.500 -0.276 0.000 2.449 245 R HA 0.191 4.531 4.340 -0.000 0.000 0.296 245 R C 0.904 177.116 176.300 -0.147 0.000 1.047 245 R CA -0.211 55.721 56.100 -0.279 0.000 1.018 245 R CB 0.362 30.468 30.300 -0.324 0.000 0.962 245 R HN 0.404 nan 8.270 nan 0.000 0.428 246 R N 1.405 121.871 120.500 -0.058 0.000 2.123 246 R HA 0.116 4.456 4.340 -0.000 0.000 0.209 246 R C 0.550 176.824 176.300 -0.044 0.000 1.078 246 R CA 0.943 57.030 56.100 -0.023 0.000 1.028 246 R CB -0.157 30.162 30.300 0.032 0.000 0.939 246 R HN 0.735 nan 8.270 nan 0.000 0.463 247 S N -0.876 114.813 115.700 -0.019 0.000 2.732 247 S HA 0.477 4.947 4.470 -0.000 0.000 0.293 247 S C -2.447 172.113 174.600 -0.066 0.000 1.159 247 S CA -1.280 56.898 58.200 -0.037 0.000 0.847 247 S CB 2.463 65.659 63.200 -0.007 0.000 1.169 247 S HN -0.248 nan 8.310 nan 0.000 0.501 248 P HA 0.063 nan 4.420 nan 0.000 0.228 248 P C 0.784 178.046 177.300 -0.063 0.000 1.151 248 P CA 1.183 64.231 63.100 -0.087 0.000 0.770 248 P CB -0.118 31.547 31.700 -0.058 0.000 0.786 249 T N -6.475 108.075 114.554 -0.006 0.000 3.145 249 T HA 0.306 4.656 4.350 -0.000 0.000 0.281 249 T C -0.247 174.508 174.700 0.093 0.000 1.003 249 T CA -0.330 61.788 62.100 0.031 0.000 0.901 249 T CB -0.496 68.408 68.868 0.059 0.000 1.112 249 T HN -0.129 nan 8.240 nan 0.000 0.535 250 F N 1.572 121.452 119.950 -0.117 0.000 2.607 250 F HA 0.624 5.151 4.527 -0.000 0.000 0.322 250 F C -1.628 174.039 175.800 -0.222 0.000 1.176 250 F CA -1.165 56.762 58.000 -0.121 0.000 0.977 250 F CB 1.875 40.822 39.000 -0.087 0.000 1.242 250 F HN -0.111 nan 8.300 nan 0.000 0.465 251 V N 5.269 124.784 119.914 -0.665 0.000 2.398 251 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 251 V C -0.178 175.382 176.094 -0.890 0.000 1.026 251 V CA -0.792 61.037 62.300 -0.784 0.000 0.868 251 V CB 1.585 32.700 31.823 -1.181 0.000 0.982 251 V HN 0.729 nan 8.190 nan 0.000 0.443 252 E N 4.824 124.782 120.200 -0.404 0.000 1.893 252 E HA 0.118 4.468 4.350 -0.000 0.000 0.269 252 E C -0.973 175.448 176.600 -0.299 0.000 1.129 252 E CA -0.607 55.695 56.400 -0.164 0.000 0.904 252 E CB 0.330 30.082 29.700 0.087 0.000 1.077 252 E HN 0.647 nan 8.360 nan 0.000 0.407 253 W N 3.019 124.201 121.300 -0.197 0.000 2.264 253 W HA 0.030 4.690 4.660 -0.000 0.000 0.331 253 W C 0.849 177.400 176.519 0.054 0.000 1.364 253 W CA -0.427 56.794 57.345 -0.206 0.000 1.253 253 W CB 0.519 29.610 29.460 -0.615 0.000 1.215 253 W HN 0.302 nan 8.180 nan 0.000 0.561 254 S N 2.002 117.919 115.700 0.361 0.000 2.580 254 S HA 0.444 4.914 4.470 -0.000 0.000 0.266 254 S C 0.340 175.413 174.600 0.788 0.000 1.354 254 S CA -0.152 58.349 58.200 0.502 0.000 1.008 254 S CB 0.841 64.356 63.200 0.525 0.000 0.898 254 S HN 0.550 nan 8.310 nan 0.000 0.555 255 S N -0.436 115.663 115.700 0.665 0.000 2.724 255 S HA 0.665 5.135 4.470 -0.000 0.000 0.278 255 S C 0.765 175.552 174.600 0.311 0.000 1.190 255 S CA -0.339 58.173 58.200 0.520 0.000 0.860 255 S CB 0.486 63.909 63.200 0.372 0.000 1.206 255 S HN 0.756 nan 8.310 nan 0.000 0.507 256 A N 1.642 124.538 122.820 0.126 0.000 1.927 256 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 256 A C 2.017 179.634 177.584 0.055 0.000 1.185 256 A CA 2.284 54.348 52.037 0.046 0.000 0.639 256 A CB -1.617 17.391 19.000 0.014 0.000 0.820 256 A HN 0.871 nan 8.150 nan 0.000 0.451 257 N N -0.774 117.973 118.700 0.079 0.000 2.149 257 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 257 N C 1.555 177.083 175.510 0.029 0.000 1.019 257 N CA 1.998 55.071 53.050 0.037 0.000 0.857 257 N CB -0.226 38.297 38.487 0.060 0.000 0.997 257 N HN 0.462 nan 8.380 nan 0.000 0.426 258 T N 0.500 115.117 114.554 0.106 0.000 2.746 258 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 258 T C 2.037 176.756 174.700 0.031 0.000 1.039 258 T CA 1.160 63.326 62.100 0.110 0.000 1.142 258 T CB -0.133 68.881 68.868 0.243 0.000 0.866 258 T HN 0.068 nan 8.240 nan 0.000 0.444 259 V N -0.612 119.295 119.914 -0.011 0.000 2.407 259 V HA 0.187 4.307 4.120 -0.000 0.000 0.245 259 V C 0.477 176.526 176.094 -0.074 0.000 1.041 259 V CA 0.906 63.127 62.300 -0.131 0.000 1.040 259 V CB -0.292 31.398 31.823 -0.223 0.000 0.671 259 V HN 0.435 nan 8.190 nan 0.000 0.455 260 F N 0.951 120.772 119.950 -0.215 0.000 2.588 260 F HA 0.397 4.924 4.527 -0.000 0.000 0.314 260 F C 0.282 175.963 175.800 -0.198 0.000 1.134 260 F CA -1.614 56.235 58.000 -0.252 0.000 0.961 260 F CB 1.587 40.389 39.000 -0.329 0.000 1.239 260 F HN 0.150 nan 8.300 nan 0.000 0.448 261 D N 4.417 124.358 120.400 -0.764 0.000 2.347 261 D HA -0.033 4.607 4.640 -0.000 0.000 0.215 261 D C 1.170 177.196 176.300 -0.456 0.000 0.976 261 D CA 1.033 54.744 54.000 -0.482 0.000 0.884 261 D CB 0.009 40.570 40.800 -0.399 0.000 0.915 261 D HN 0.663 nan 8.370 nan 0.000 0.526 262 L N -1.887 118.897 121.223 -0.732 0.000 4.759 262 L HA -0.230 4.110 4.340 -0.000 0.000 0.419 262 L C -0.243 176.604 176.870 -0.038 0.000 1.093 262 L CA 0.423 55.111 54.840 -0.254 0.000 1.037 262 L CB -1.298 40.754 42.059 -0.011 0.000 2.095 262 L HN 0.237 nan 8.230 nan 0.000 0.739 263 Q N 0.877 120.558 119.800 -0.198 0.000 2.293 263 Q HA 0.274 4.614 4.340 -0.000 0.000 0.251 263 Q C 0.317 176.383 176.000 0.110 0.000 0.930 263 Q CA -0.249 55.522 55.803 -0.052 0.000 0.893 263 Q CB 0.779 29.445 28.738 -0.119 0.000 1.215 263 Q HN 0.122 nan 8.270 nan 0.000 0.425 264 N N 1.893 120.651 118.700 0.096 0.000 2.492 264 N HA 0.106 4.846 4.740 -0.000 0.000 0.260 264 N C -0.332 175.245 175.510 0.111 0.000 1.215 264 N CA 0.337 53.453 53.050 0.110 0.000 0.923 264 N CB 0.605 39.067 38.487 -0.042 0.000 1.092 264 N HN 0.237 nan 8.380 nan 0.000 0.448 265 R N 1.435 122.034 120.500 0.165 0.000 2.750 265 R HA 0.520 4.860 4.340 -0.000 0.000 0.281 265 R C -2.464 173.900 176.300 0.107 0.000 0.972 265 R CA -1.597 54.581 56.100 0.131 0.000 0.912 265 R CB 1.747 32.147 30.300 0.167 0.000 1.187 265 R HN 0.369 nan 8.270 nan 0.000 0.464 266 P HA 0.215 nan 4.420 nan 0.000 0.281 266 P C -1.405 175.945 177.300 0.083 0.000 1.249 266 P CA -0.572 62.613 63.100 0.141 0.000 0.810 266 P CB 0.799 32.639 31.700 0.233 0.000 1.008 267 N N -1.556 117.180 118.700 0.060 0.000 2.853 267 N HA 0.271 5.011 4.740 -0.000 0.000 0.258 267 N C 0.458 175.977 175.510 0.016 0.000 1.444 267 N CA -0.784 52.283 53.050 0.027 0.000 0.837 267 N CB -0.557 37.934 38.487 0.006 0.000 1.489 267 N HN 0.056 nan 8.380 nan 0.000 0.529 268 T N -0.859 113.696 114.554 0.002 0.000 2.737 268 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 268 T C 0.239 174.935 174.700 -0.007 0.000 1.040 268 T CA 1.790 63.888 62.100 -0.003 0.000 1.142 268 T CB -0.435 68.428 68.868 -0.009 0.000 0.861 268 T HN 0.549 nan 8.240 nan 0.000 0.456 269 D N 1.037 121.428 120.400 -0.013 0.000 2.323 269 D HA 0.244 4.884 4.640 -0.000 0.000 0.209 269 D C 0.736 177.031 176.300 -0.009 0.000 0.973 269 D CA 0.324 54.313 54.000 -0.018 0.000 0.874 269 D CB 0.106 40.886 40.800 -0.034 0.000 0.930 269 D HN 0.414 nan 8.370 nan 0.000 0.521 270 A N 1.012 123.835 122.820 0.006 0.000 3.082 270 A HA 0.407 4.727 4.320 -0.000 0.000 0.328 270 A C -1.954 175.668 177.584 0.064 0.000 1.089 270 A CA -0.990 51.066 52.037 0.032 0.000 0.802 270 A CB 1.085 20.106 19.000 0.034 0.000 1.138 270 A HN -0.162 nan 8.150 nan 0.000 0.474 271 P HA -0.092 nan 4.420 nan 0.000 0.217 271 P C 0.575 177.936 177.300 0.101 0.000 1.151 271 P CA 1.286 64.415 63.100 0.047 0.000 0.828 271 P CB 0.374 32.068 31.700 -0.010 0.000 0.788 272 E N -0.037 120.227 120.200 0.107 0.000 2.423 272 E HA 0.160 4.510 4.350 -0.000 0.000 0.198 272 E C 0.053 176.887 176.600 0.391 0.000 1.038 272 E CA 0.099 56.629 56.400 0.217 0.000 1.011 272 E CB 0.240 29.966 29.700 0.045 0.000 1.118 272 E HN 0.480 nan 8.360 nan 0.000 0.451 273 E N 0.733 121.110 120.200 0.295 0.000 2.221 273 E HA 0.469 4.819 4.350 -0.000 0.000 0.268 273 E C -0.345 176.343 176.600 0.146 0.000 0.933 273 E CA -0.663 55.853 56.400 0.194 0.000 0.809 273 E CB 1.594 31.382 29.700 0.147 0.000 1.190 273 E HN -0.109 nan 8.360 nan 0.000 0.406 274 R N 2.058 122.602 120.500 0.074 0.000 2.473 274 R HA 0.437 4.777 4.340 -0.000 0.000 0.303 274 R C -1.518 174.874 176.300 0.154 0.000 1.002 274 R CA -0.551 55.560 56.100 0.019 0.000 0.884 274 R CB 1.107 31.294 30.300 -0.189 0.000 1.173 274 R HN 0.401 nan 8.270 nan 0.000 0.464 275 F N 2.187 122.129 119.950 -0.013 0.000 2.615 275 F HA 0.471 4.998 4.527 -0.000 0.000 0.312 275 F C -1.725 174.007 175.800 -0.113 0.000 1.119 275 F CA -0.609 57.371 58.000 -0.033 0.000 0.979 275 F CB 2.080 41.128 39.000 0.081 0.000 1.266 275 F HN 0.394 nan 8.300 nan 0.000 0.444 276 N N 4.484 122.486 118.700 -1.164 0.000 2.249 276 N HA 0.599 5.339 4.740 -0.000 0.000 0.296 276 N C -2.077 172.393 175.510 -1.734 0.000 1.051 276 N CA -0.669 51.635 53.050 -1.245 0.000 0.815 276 N CB 2.387 40.310 38.487 -0.940 0.000 1.487 276 N HN 0.610 nan 8.380 nan 0.000 0.475 277 L N 2.153 122.603 121.223 -1.289 0.000 2.307 277 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 277 L C -1.707 174.634 176.870 -0.882 0.000 1.023 277 L CA -0.303 54.032 54.840 -0.842 0.000 0.810 277 L CB 0.213 42.126 42.059 -0.243 0.000 1.231 277 L HN 0.458 nan 8.230 nan 0.000 0.423 278 F N 6.280 126.031 119.950 -0.332 0.000 2.434 278 F HA 0.574 5.101 4.527 -0.000 0.000 0.367 278 F C -2.183 173.594 175.800 -0.038 0.000 1.093 278 F CA -1.969 55.934 58.000 -0.162 0.000 1.085 278 F CB 0.983 39.910 39.000 -0.121 0.000 1.322 278 F HN 0.427 nan 8.300 nan 0.000 0.452 279 P HA 0.361 nan 4.420 nan 0.000 0.279 279 P C -0.121 177.236 177.300 0.096 0.000 1.276 279 P CA -0.295 62.855 63.100 0.083 0.000 0.801 279 P CB 0.986 32.712 31.700 0.042 0.000 1.127 280 A N -1.453 121.402 122.820 0.058 0.000 2.745 280 A HA -0.095 4.225 4.320 -0.000 0.000 0.296 280 A C -0.068 177.533 177.584 0.027 0.000 1.500 280 A CA 0.784 52.844 52.037 0.038 0.000 0.766 280 A CB -2.447 16.577 19.000 0.039 0.000 1.030 280 A HN 0.246 nan 8.150 nan 0.000 0.489 281 V N -0.460 119.482 119.914 0.047 0.000 2.443 281 V HA 0.683 4.803 4.120 -0.000 0.000 0.293 281 V C 0.504 176.585 176.094 -0.020 0.000 1.021 281 V CA -0.293 62.023 62.300 0.027 0.000 0.848 281 V CB 1.542 33.443 31.823 0.131 0.000 0.998 281 V HN 1.463 nan 8.190 nan 0.000 0.424 282 A N 4.031 126.825 122.820 -0.044 0.000 2.276 282 A HA 0.520 4.840 4.320 -0.000 0.000 0.300 282 A C 0.094 177.650 177.584 -0.047 0.000 1.235 282 A CA -0.248 51.752 52.037 -0.061 0.000 0.867 282 A CB 0.110 19.107 19.000 -0.005 0.000 1.137 282 A HN 0.870 nan 8.150 nan 0.000 0.527 283 C N 2.677 121.927 119.300 -0.084 0.000 2.499 283 C HA 0.297 4.757 4.460 -0.000 0.000 0.386 283 C C 1.408 176.370 174.990 -0.048 0.000 1.293 283 C CA -0.147 58.818 59.018 -0.089 0.000 1.884 283 C CB -0.523 27.161 27.740 -0.093 0.000 2.509 283 C HN 1.020 nan 8.230 nan 0.000 0.566 284 E N 0.904 121.093 120.200 -0.018 0.000 2.332 284 E HA 0.095 4.445 4.350 -0.000 0.000 0.202 284 E C 0.554 177.145 176.600 -0.016 0.000 0.877 284 E CA 0.262 56.661 56.400 -0.001 0.000 0.979 284 E CB 0.517 30.235 29.700 0.031 0.000 0.969 284 E HN 0.803 nan 8.360 nan 0.000 0.495 285 R N -0.224 120.265 120.500 -0.018 0.000 2.709 285 R HA 0.383 4.723 4.340 -0.000 0.000 0.270 285 R C -1.220 175.004 176.300 -0.127 0.000 1.038 285 R CA -0.839 55.222 56.100 -0.066 0.000 0.872 285 R CB 0.945 31.211 30.300 -0.058 0.000 1.259 285 R HN -0.071 nan 8.270 nan 0.000 0.473 286 V N -0.241 119.588 119.914 -0.140 0.000 2.435 286 V HA 0.647 4.767 4.120 -0.000 0.000 0.290 286 V C -0.103 175.858 176.094 -0.221 0.000 1.030 286 V CA -0.854 61.320 62.300 -0.210 0.000 0.881 286 V CB 1.626 33.315 31.823 -0.222 0.000 0.983 286 V HN 0.519 nan 8.190 nan 0.000 0.445 287 V N 5.769 125.510 119.914 -0.288 0.000 2.461 287 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 287 V C 0.743 176.753 176.094 -0.140 0.000 1.047 287 V CA -0.376 61.783 62.300 -0.234 0.000 0.955 287 V CB 0.989 32.650 31.823 -0.269 0.000 0.988 287 V HN 0.955 nan 8.190 nan 0.000 0.471 288 R N 3.740 124.184 120.500 -0.093 0.000 2.490 288 R HA 0.270 4.609 4.340 -0.000 0.000 0.278 288 R C 0.359 176.671 176.300 0.019 0.000 1.069 288 R CA -0.532 55.580 56.100 0.021 0.000 1.080 288 R CB 0.531 30.831 30.300 -0.000 0.000 1.030 288 R HN 0.877 nan 8.270 nan 0.000 0.491 289 N N 1.388 120.126 118.700 0.063 0.000 2.381 289 N HA 0.015 4.755 4.740 -0.000 0.000 0.254 289 N C 0.614 176.124 175.510 0.000 0.000 1.264 289 N CA 0.172 53.234 53.050 0.020 0.000 0.942 289 N CB 0.456 38.953 38.487 0.018 0.000 1.190 289 N HN 0.559 nan 8.380 nan 0.000 0.495 290 A N 0.465 123.279 122.820 -0.009 0.000 1.948 290 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 290 A C 2.184 179.751 177.584 -0.029 0.000 1.177 290 A CA 1.199 53.226 52.037 -0.017 0.000 0.636 290 A CB -0.840 18.152 19.000 -0.013 0.000 0.815 290 A HN 0.672 nan 8.150 nan 0.000 0.449 291 L N -1.659 119.540 121.223 -0.041 0.000 2.418 291 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 291 L C 0.006 176.805 176.870 -0.117 0.000 1.125 291 L CA 0.173 54.972 54.840 -0.068 0.000 0.835 291 L CB -0.360 41.655 42.059 -0.073 0.000 0.953 291 L HN 0.425 nan 8.230 nan 0.000 0.454 292 N N 0.262 118.891 118.700 -0.119 0.000 2.746 292 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 292 N C 0.735 175.782 175.510 -0.771 0.000 1.055 292 N CA 0.987 53.897 53.050 -0.234 0.000 0.699 292 N CB -1.196 37.245 38.487 -0.076 0.000 0.919 292 N HN 0.505 nan 8.380 nan 0.000 0.548 293 S N -1.991 113.316 115.700 -0.655 0.000 2.728 293 S HA 0.290 4.760 4.470 -0.000 0.000 0.257 293 S C 0.202 174.556 174.600 -0.410 0.000 1.060 293 S CA -0.031 57.816 58.200 -0.588 0.000 1.126 293 S CB 1.588 64.638 63.200 -0.249 0.000 1.099 293 S HN 0.375 nan 8.310 nan 0.000 0.617 294 E N 0.167 120.261 120.200 -0.176 0.000 2.388 294 E HA 0.369 4.719 4.350 -0.000 0.000 0.281 294 E C -1.855 174.914 176.600 0.283 0.000 1.046 294 E CA -0.793 55.710 56.400 0.171 0.000 0.825 294 E CB 1.208 30.966 29.700 0.096 0.000 1.243 294 E HN 0.137 nan 8.360 nan 0.000 0.438 295 I N 3.321 124.000 120.570 0.181 0.000 2.365 295 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 295 I C 1.136 177.158 176.117 -0.159 0.000 1.004 295 I CA 0.059 61.297 61.300 -0.104 0.000 1.311 295 I CB 1.210 38.899 38.000 -0.518 0.000 1.401 295 I HN 0.669 nan 8.210 nan 0.000 0.491 296 E N 3.308 123.433 120.200 -0.124 0.000 2.166 296 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 296 E C 0.337 176.951 176.600 0.024 0.000 0.967 296 E CA 0.568 56.960 56.400 -0.014 0.000 0.840 296 E CB 0.477 30.171 29.700 -0.010 0.000 0.795 296 E HN 0.750 nan 8.360 nan 0.000 0.470 297 S N -0.589 115.054 115.700 -0.095 0.000 2.615 297 S HA 0.466 4.936 4.470 -0.000 0.000 0.268 297 S C -1.375 173.178 174.600 -0.077 0.000 1.146 297 S CA -1.045 57.176 58.200 0.036 0.000 0.818 297 S CB 1.327 64.570 63.200 0.073 0.000 1.111 297 S HN 0.021 nan 8.310 nan 0.000 0.465 298 L N 1.788 123.090 121.223 0.131 0.000 2.287 298 L HA 0.564 4.904 4.340 -0.000 0.000 0.287 298 L C -0.757 176.159 176.870 0.078 0.000 1.022 298 L CA -0.105 54.768 54.840 0.056 0.000 0.814 298 L CB 0.651 42.805 42.059 0.158 0.000 1.217 298 L HN 0.894 nan 8.230 nan 0.000 0.420 299 H N 5.909 124.957 119.070 -0.036 0.000 2.580 299 H HA 0.578 5.134 4.556 -0.000 0.000 0.322 299 H C -0.176 175.109 175.328 -0.072 0.000 1.082 299 H CA -0.537 55.487 56.048 -0.039 0.000 1.383 299 H CB 1.224 30.965 29.762 -0.035 0.000 1.450 299 H HN 0.691 nan 8.280 nan 0.000 0.505 300 I N -0.372 120.233 120.570 0.058 0.000 3.042 300 I HA 0.404 4.574 4.170 -0.000 0.000 0.310 300 I C -1.146 175.039 176.117 0.113 0.000 1.117 300 I CA -0.958 60.333 61.300 -0.015 0.000 1.003 300 I CB 3.111 40.969 38.000 -0.236 0.000 1.228 300 I HN 0.606 nan 8.210 nan 0.000 0.443 301 H N 2.787 121.850 119.070 -0.012 0.000 2.800 301 H HA 0.227 4.783 4.556 -0.000 0.000 0.322 301 H C -1.461 173.905 175.328 0.063 0.000 0.979 301 H CA -0.605 55.460 56.048 0.029 0.000 1.277 301 H CB 1.536 31.310 29.762 0.020 0.000 1.484 301 H HN 0.780 nan 8.280 nan 0.000 0.512 302 D N 5.593 125.990 120.400 -0.004 0.000 2.339 302 D HA 0.000 4.640 4.640 -0.000 0.000 0.256 302 D C 0.926 177.058 176.300 -0.281 0.000 1.214 302 D CA -0.178 53.788 54.000 -0.058 0.000 0.877 302 D CB 1.107 41.992 40.800 0.140 0.000 1.111 302 D HN 0.678 nan 8.370 nan 0.000 0.478 303 L N 4.300 125.383 121.223 -0.233 0.000 2.492 303 L HA -0.064 4.275 4.340 -0.000 0.000 0.223 303 L C 1.863 178.679 176.870 -0.091 0.000 1.132 303 L CA -0.098 54.599 54.840 -0.237 0.000 0.850 303 L CB 0.055 42.068 42.059 -0.077 0.000 0.966 303 L HN 0.538 nan 8.230 nan 0.000 0.454 304 I N -0.567 119.980 120.570 -0.039 0.000 2.296 304 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 304 I C 2.709 178.831 176.117 0.009 0.000 1.087 304 I CA 1.594 62.894 61.300 0.001 0.000 1.393 304 I CB -1.182 36.831 38.000 0.021 0.000 1.093 304 I HN 0.247 nan 8.210 nan 0.000 0.421 305 S N 0.341 116.056 115.700 0.024 0.000 2.436 305 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 305 S C 1.854 176.481 174.600 0.045 0.000 1.014 305 S CA 0.852 59.081 58.200 0.050 0.000 0.950 305 S CB -0.045 63.214 63.200 0.099 0.000 0.784 305 S HN 0.602 nan 8.310 nan 0.000 0.504 306 G N 0.954 109.766 108.800 0.020 0.000 2.225 306 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 306 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 306 G C -0.305 174.694 174.900 0.164 0.000 0.988 306 G CA 0.170 45.325 45.100 0.093 0.000 0.625 306 G HN 0.557 nan 8.290 nan 0.000 0.527 307 D N 0.651 121.101 120.400 0.084 0.000 2.362 307 D HA 0.488 5.128 4.640 -0.000 0.000 0.242 307 D C 0.959 177.212 176.300 -0.078 0.000 1.132 307 D CA 0.156 54.106 54.000 -0.083 0.000 0.907 307 D CB 0.550 41.226 40.800 -0.207 0.000 1.195 307 D HN 0.370 nan 8.370 nan 0.000 0.429 308 R N 0.916 121.208 120.500 -0.347 0.000 2.589 308 R HA 0.610 4.950 4.340 -0.000 0.000 0.293 308 R C -0.706 175.228 176.300 -0.609 0.000 0.963 308 R CA -0.641 55.305 56.100 -0.257 0.000 0.905 308 R CB 1.234 31.411 30.300 -0.205 0.000 1.144 308 R HN 0.301 nan 8.270 nan 0.000 0.459 309 F N -0.106 119.792 119.950 -0.088 0.000 2.643 309 F HA 0.317 4.844 4.527 -0.000 0.000 0.314 309 F C -0.097 175.665 175.800 -0.063 0.000 1.096 309 F CA -0.965 56.986 58.000 -0.083 0.000 0.953 309 F CB 2.056 41.010 39.000 -0.078 0.000 1.345 309 F HN 0.275 nan 8.300 nan 0.000 0.468 310 E N 2.712 123.035 120.200 0.205 0.000 2.129 310 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 310 E C -1.101 175.618 176.600 0.198 0.000 0.900 310 E CA -0.663 55.882 56.400 0.242 0.000 0.755 310 E CB 1.973 31.832 29.700 0.265 0.000 1.117 310 E HN 0.214 nan 8.360 nan 0.000 0.410 311 I N 2.658 123.330 120.570 0.171 0.000 2.385 311 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 311 I C 0.210 176.471 176.117 0.241 0.000 0.988 311 I CA -0.705 60.706 61.300 0.185 0.000 1.265 311 I CB 1.092 39.181 38.000 0.148 0.000 1.388 311 I HN 0.428 nan 8.210 nan 0.000 0.480 312 K N 4.058 124.593 120.400 0.226 0.000 2.203 312 K HA 0.852 5.172 4.320 -0.000 0.000 0.251 312 K C -1.141 175.543 176.600 0.140 0.000 0.944 312 K CA -0.401 56.024 56.287 0.230 0.000 0.829 312 K CB 2.033 34.635 32.500 0.170 0.000 1.125 312 K HN 0.831 nan 8.250 nan 0.000 0.430 313 A N 2.691 125.527 122.820 0.027 0.000 2.606 313 A HA 0.314 4.634 4.320 -0.000 0.000 0.293 313 A C -0.723 176.787 177.584 -0.123 0.000 1.082 313 A CA -0.701 51.215 52.037 -0.202 0.000 0.685 313 A CB 1.218 19.851 19.000 -0.612 0.000 1.284 313 A HN 0.799 nan 8.150 nan 0.000 0.408 314 D N -0.495 119.870 120.400 -0.059 0.000 2.149 314 D HA 0.148 4.788 4.640 -0.000 0.000 0.201 314 D C 0.319 176.595 176.300 -0.040 0.000 0.972 314 D CA 1.794 55.832 54.000 0.063 0.000 0.835 314 D CB 0.168 41.053 40.800 0.141 0.000 0.966 314 D HN 0.245 nan 8.370 nan 0.000 0.476 315 V N 0.374 120.100 119.914 -0.313 0.000 2.638 315 V HA 0.317 4.437 4.120 -0.000 0.000 0.306 315 V C -1.341 174.550 176.094 -0.338 0.000 1.052 315 V CA -0.913 61.176 62.300 -0.351 0.000 0.885 315 V CB 1.678 33.100 31.823 -0.667 0.000 0.999 315 V HN -0.045 nan 8.190 nan 0.000 0.424 316 Y N 3.057 123.343 120.300 -0.023 0.000 2.364 316 Y HA 0.728 5.278 4.550 -0.000 0.000 0.340 316 Y C -0.104 175.770 175.900 -0.043 0.000 0.975 316 Y CA -1.011 57.069 58.100 -0.034 0.000 1.089 316 Y CB 2.136 40.584 38.460 -0.019 0.000 1.192 316 Y HN 0.344 nan 8.280 nan 0.000 0.454 317 V N 5.065 124.946 119.914 -0.056 0.000 2.531 317 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 317 V C -0.519 175.444 176.094 -0.218 0.000 1.034 317 V CA -0.995 61.162 62.300 -0.238 0.000 0.865 317 V CB 1.783 33.223 31.823 -0.639 0.000 0.995 317 V HN 0.594 nan 8.190 nan 0.000 0.424 318 L N 4.934 126.033 121.223 -0.207 0.000 2.264 318 L HA 0.528 4.868 4.340 -0.000 0.000 0.287 318 L C 0.448 177.214 176.870 -0.174 0.000 1.039 318 L CA -0.126 54.609 54.840 -0.174 0.000 0.829 318 L CB 1.456 43.397 42.059 -0.197 0.000 1.211 318 L HN 0.854 nan 8.230 nan 0.000 0.427 319 T N -1.513 112.965 114.554 -0.126 0.000 3.516 319 T HA 0.397 4.747 4.350 -0.000 0.000 0.245 319 T C 0.645 175.346 174.700 0.002 0.000 1.077 319 T CA -0.168 61.899 62.100 -0.055 0.000 1.222 319 T CB 0.990 69.819 68.868 -0.066 0.000 1.045 319 T HN 0.529 nan 8.240 nan 0.000 0.585 320 A N 0.728 123.562 122.820 0.023 0.000 2.345 320 A HA 0.796 5.116 4.320 -0.000 0.000 0.225 320 A C 1.322 178.979 177.584 0.122 0.000 1.243 320 A CA 0.018 52.087 52.037 0.054 0.000 0.875 320 A CB -0.620 18.405 19.000 0.042 0.000 0.929 320 A HN 1.698 nan 8.150 nan 0.000 0.502 321 G N -2.510 106.369 108.800 0.131 0.000 2.619 321 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 321 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 321 G C 0.701 175.717 174.900 0.193 0.000 1.256 321 G CA -0.318 44.878 45.100 0.160 0.000 0.826 321 G HN 1.249 nan 8.290 nan 0.000 0.619 322 A N -0.389 122.536 122.820 0.174 0.000 1.972 322 A HA 0.247 4.567 4.320 -0.000 0.000 0.219 322 A C 2.603 180.290 177.584 0.173 0.000 1.169 322 A CA 3.058 55.194 52.037 0.165 0.000 0.635 322 A CB -0.277 18.792 19.000 0.115 0.000 0.810 322 A HN 1.555 nan 8.150 nan 0.000 0.446 323 V N -1.135 118.845 119.914 0.110 0.000 2.379 323 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 323 V C 2.187 178.279 176.094 -0.003 0.000 1.035 323 V CA 2.117 64.429 62.300 0.021 0.000 1.035 323 V CB -0.869 30.859 31.823 -0.158 0.000 0.673 323 V HN 0.733 nan 8.190 nan 0.000 0.457 324 H N -0.570 118.579 119.070 0.132 0.000 2.525 324 H HA 0.033 4.589 4.556 0.000 0.000 0.275 324 H C 2.242 177.568 175.328 -0.003 0.000 0.984 324 H CA 0.752 56.833 56.048 0.054 0.000 1.264 324 H CB 0.143 29.921 29.762 0.026 0.000 1.432 324 H HN 0.297 nan 8.280 nan 0.000 0.549 325 N N -0.039 118.733 118.700 0.120 0.000 2.043 325 N HA -0.130 4.610 4.740 -0.000 0.000 0.193 325 N C 1.757 177.242 175.510 -0.041 0.000 1.037 325 N CA 1.901 54.949 53.050 -0.005 0.000 0.851 325 N CB -0.546 37.911 38.487 -0.050 0.000 1.027 325 N HN 0.301 nan 8.380 nan 0.000 0.422 326 T N 0.977 115.579 114.554 0.079 0.000 2.720 326 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 326 T C 1.833 176.378 174.700 -0.258 0.000 1.037 326 T CA 1.187 63.325 62.100 0.063 0.000 1.144 326 T CB -0.250 68.798 68.868 0.299 0.000 0.864 326 T HN 0.367 nan 8.240 nan 0.000 0.444 327 Q N 0.159 119.682 119.800 -0.462 0.000 2.096 327 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 327 Q C 2.300 178.006 176.000 -0.490 0.000 0.982 327 Q CA 1.236 56.414 55.803 -1.042 0.000 0.850 327 Q CB -0.228 28.234 28.738 -0.461 0.000 0.901 327 Q HN 0.410 nan 8.270 nan 0.000 0.422 328 L N 0.396 121.478 121.223 -0.235 0.000 2.109 328 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 328 L C 1.936 178.723 176.870 -0.138 0.000 1.086 328 L CA 1.366 56.115 54.840 -0.151 0.000 0.760 328 L CB -0.415 41.583 42.059 -0.102 0.000 0.910 328 L HN 0.272 nan 8.230 nan 0.000 0.437 329 L N -1.638 119.486 121.223 -0.166 0.000 2.046 329 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 329 L C 2.408 179.310 176.870 0.053 0.000 1.077 329 L CA 0.991 55.764 54.840 -0.112 0.000 0.747 329 L CB -0.665 41.231 42.059 -0.272 0.000 0.896 329 L HN 0.074 nan 8.230 nan 0.000 0.432 330 V N -0.137 119.733 119.914 -0.074 0.000 2.515 330 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 330 V C 1.961 178.030 176.094 -0.041 0.000 1.058 330 V CA 1.762 64.044 62.300 -0.030 0.000 1.064 330 V CB -0.681 31.085 31.823 -0.094 0.000 0.675 330 V HN 0.481 nan 8.190 nan 0.000 0.461 331 N N -0.178 118.462 118.700 -0.099 0.000 2.521 331 N HA -0.059 4.681 4.740 -0.000 0.000 0.188 331 N C 1.402 176.893 175.510 -0.032 0.000 1.146 331 N CA 0.752 53.765 53.050 -0.061 0.000 0.893 331 N CB 0.059 38.498 38.487 -0.079 0.000 0.975 331 N HN 0.352 nan 8.380 nan 0.000 0.451 332 S N -1.452 114.248 115.700 -0.000 0.000 2.554 332 S HA 0.329 4.799 4.470 -0.000 0.000 0.226 332 S C 1.010 175.555 174.600 -0.091 0.000 0.980 332 S CA 0.154 58.350 58.200 -0.006 0.000 0.939 332 S CB 0.658 63.908 63.200 0.084 0.000 0.832 332 S HN 0.495 nan 8.310 nan 0.000 0.486 333 G N 1.173 109.932 108.800 -0.069 0.000 2.141 333 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 333 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 333 G C -0.096 174.662 174.900 -0.237 0.000 0.984 333 G CA -0.429 44.574 45.100 -0.161 0.000 0.660 333 G HN 0.422 nan 8.290 nan 0.000 0.525 334 F N 0.510 120.422 119.950 -0.063 0.000 2.403 334 F HA 0.603 5.130 4.527 -0.000 0.000 0.326 334 F C 1.609 177.412 175.800 0.004 0.000 1.081 334 F CA 0.606 58.582 58.000 -0.041 0.000 1.041 334 F CB 0.983 39.929 39.000 -0.089 0.000 1.234 334 F HN 0.697 nan 8.300 nan 0.000 0.503 335 G N 1.497 110.440 108.800 0.238 0.000 2.594 335 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.297 335 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.297 335 G C -0.707 174.267 174.900 0.123 0.000 1.273 335 G CA 0.245 45.449 45.100 0.173 0.000 0.974 335 G HN 0.846 nan 8.290 nan 0.000 0.552 336 Q N -1.165 118.712 119.800 0.129 0.000 2.323 336 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 336 Q C -1.047 175.038 176.000 0.140 0.000 1.048 336 Q CA -1.005 54.855 55.803 0.095 0.000 0.792 336 Q CB 1.757 30.531 28.738 0.060 0.000 1.280 336 Q HN 0.921 nan 8.270 nan 0.000 0.441 337 L N 3.718 125.012 121.223 0.118 0.000 2.326 337 L HA 0.842 5.182 4.340 -0.000 0.000 0.278 337 L C 0.161 177.115 176.870 0.139 0.000 1.092 337 L CA 1.567 56.504 54.840 0.163 0.000 0.810 337 L CB 1.071 43.198 42.059 0.113 0.000 1.153 337 L HN 0.828 nan 8.230 nan 0.000 0.439 338 G N 3.734 112.669 108.800 0.226 0.000 2.566 338 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.599 338 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.599 338 G C -0.794 174.005 174.900 -0.169 0.000 1.292 338 G CA -0.347 44.835 45.100 0.137 0.000 0.922 338 G HN 0.923 nan 8.290 nan 0.000 0.514 339 R N 0.821 121.012 120.500 -0.515 0.000 2.489 339 R HA 0.403 4.743 4.340 -0.000 0.000 0.287 339 R C -1.926 173.925 176.300 -0.747 0.000 1.053 339 R CA -0.688 54.653 56.100 -1.264 0.000 1.036 339 R CB 0.012 29.844 30.300 -0.779 0.000 0.966 339 R HN 0.341 nan 8.270 nan 0.000 0.432 340 P HA -0.089 nan 4.420 nan 0.000 0.263 340 P C -1.315 175.820 177.300 -0.274 0.000 1.175 340 P CA 0.539 63.389 63.100 -0.417 0.000 0.761 340 P CB 0.330 31.802 31.700 -0.379 0.000 0.794 341 N N 3.255 121.856 118.700 -0.165 0.000 2.577 341 N HA 0.260 5.000 4.740 -0.000 0.000 0.275 341 N C -2.018 173.449 175.510 -0.072 0.000 1.091 341 N CA -1.858 51.123 53.050 -0.115 0.000 0.843 341 N CB 1.114 39.543 38.487 -0.097 0.000 1.295 341 N HN 0.087 nan 8.380 nan 0.000 0.530 342 P HA -0.027 nan 4.420 nan 0.000 0.225 342 P C 0.591 177.874 177.300 -0.029 0.000 1.148 342 P CA 0.596 63.672 63.100 -0.041 0.000 0.779 342 P CB 0.255 31.931 31.700 -0.041 0.000 0.780 343 A N -1.092 121.708 122.820 -0.034 0.000 2.238 343 A HA 0.048 4.368 4.320 -0.000 0.000 0.208 343 A C 0.758 178.330 177.584 -0.020 0.000 1.177 343 A CA 0.472 52.494 52.037 -0.025 0.000 0.804 343 A CB -0.647 18.337 19.000 -0.028 0.000 0.823 343 A HN 0.180 nan 8.150 nan 0.000 0.482 344 N N 0.505 119.193 118.700 -0.020 0.000 2.732 344 N HA 0.163 4.903 4.740 -0.000 0.000 0.230 344 N C -3.252 172.255 175.510 -0.005 0.000 1.487 344 N CA -0.731 52.312 53.050 -0.012 0.000 0.765 344 N CB 1.271 39.749 38.487 -0.015 0.000 1.384 344 N HN 0.030 nan 8.380 nan 0.000 0.530 345 P HA 0.093 nan 4.420 nan 0.000 0.267 345 P C -2.262 175.050 177.300 0.020 0.000 1.200 345 P CA -0.432 62.676 63.100 0.014 0.000 0.772 345 P CB 0.025 31.736 31.700 0.019 0.000 0.855 346 P HA 0.038 nan 4.420 nan 0.000 0.272 346 P C 0.662 177.984 177.300 0.037 0.000 1.230 346 P CA 0.038 63.162 63.100 0.039 0.000 0.788 346 P CB 0.899 32.640 31.700 0.068 0.000 0.949 347 E N 0.501 120.715 120.200 0.023 0.000 2.106 347 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 347 E C 0.051 176.681 176.600 0.050 0.000 0.984 347 E CA 0.809 57.222 56.400 0.021 0.000 0.806 347 E CB 0.012 29.710 29.700 -0.003 0.000 0.750 347 E HN 0.366 nan 8.360 nan 0.000 0.458 348 L N 0.445 121.710 121.223 0.070 0.000 2.381 348 L HA 0.312 4.652 4.340 -0.000 0.000 0.268 348 L C -0.339 176.660 176.870 0.215 0.000 0.997 348 L CA -0.860 54.072 54.840 0.153 0.000 0.818 348 L CB 1.947 44.087 42.059 0.135 0.000 1.310 348 L HN 0.052 nan 8.230 nan 0.000 0.416 349 L N 3.140 124.507 121.223 0.239 0.000 3.746 349 L HA -0.180 4.160 4.340 -0.000 0.000 0.542 349 L C -1.438 175.537 176.870 0.176 0.000 1.268 349 L CA -0.503 54.470 54.840 0.223 0.000 0.818 349 L CB -0.834 41.375 42.059 0.251 0.000 1.472 349 L HN 0.584 nan 8.230 nan 0.000 0.843 350 P HA -0.148 nan 4.420 nan 0.000 0.220 350 P C 1.275 178.667 177.300 0.153 0.000 1.144 350 P CA 1.236 64.409 63.100 0.122 0.000 0.800 350 P CB 0.269 32.024 31.700 0.091 0.000 0.772 351 S N -0.855 114.952 115.700 0.178 0.000 2.593 351 S HA 0.069 4.539 4.470 -0.000 0.000 0.217 351 S C 0.789 175.543 174.600 0.256 0.000 0.966 351 S CA -0.400 57.950 58.200 0.250 0.000 0.914 351 S CB -0.621 62.718 63.200 0.231 0.000 0.776 351 S HN 0.063 nan 8.310 nan 0.000 0.523 352 L N 1.912 123.263 121.223 0.213 0.000 2.410 352 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 352 L C 1.113 178.121 176.870 0.231 0.000 1.152 352 L CA 1.065 56.033 54.840 0.215 0.000 0.855 352 L CB -0.058 42.111 42.059 0.183 0.000 1.129 352 L HN 0.297 nan 8.230 nan 0.000 0.463 353 G N 2.442 111.390 108.800 0.246 0.000 2.184 353 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 353 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 353 G C 0.397 175.419 174.900 0.203 0.000 0.975 353 G CA 0.374 45.619 45.100 0.242 0.000 0.642 353 G HN 0.844 nan 8.290 nan 0.000 0.536 354 S N -1.518 114.306 115.700 0.207 0.000 2.718 354 S HA 0.649 5.119 4.470 -0.000 0.000 0.300 354 S C 0.386 175.117 174.600 0.218 0.000 1.117 354 S CA 0.068 58.326 58.200 0.097 0.000 1.002 354 S CB 0.918 64.084 63.200 -0.056 0.000 1.092 354 S HN 0.910 nan 8.310 nan 0.000 0.542 355 Y N -0.940 119.428 120.300 0.114 0.000 4.177 355 Y HA -0.210 4.340 4.550 -0.000 0.000 0.227 355 Y C 0.546 176.527 175.900 0.136 0.000 1.154 355 Y CA 0.236 58.401 58.100 0.109 0.000 1.887 355 Y CB -2.136 36.384 38.460 0.099 0.000 1.594 355 Y HN 0.616 nan 8.280 nan 0.000 0.668 356 I N -0.024 120.693 120.570 0.245 0.000 2.836 356 I HA 0.475 4.645 4.170 -0.000 0.000 0.285 356 I C 0.623 176.899 176.117 0.266 0.000 1.174 356 I CA 0.512 61.957 61.300 0.241 0.000 1.405 356 I CB 1.280 39.423 38.000 0.238 0.000 1.385 356 I HN 0.200 nan 8.210 nan 0.000 0.594 357 T N 1.816 116.484 114.554 0.190 0.000 2.916 357 T HA 0.657 5.007 4.350 -0.000 0.000 0.298 357 T C -0.749 173.962 174.700 0.018 0.000 1.031 357 T CA -0.701 61.497 62.100 0.163 0.000 0.993 357 T CB 1.968 70.878 68.868 0.069 0.000 1.045 357 T HN 0.834 nan 8.240 nan 0.000 0.454 358 E N 1.480 121.662 120.200 -0.030 0.000 2.314 358 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 358 E C -1.005 175.688 176.600 0.154 0.000 0.884 358 E CA -0.568 55.774 56.400 -0.097 0.000 0.753 358 E CB 2.023 31.448 29.700 -0.458 0.000 1.213 358 E HN 0.707 nan 8.360 nan 0.000 0.432 359 Q N 1.100 121.011 119.800 0.185 0.000 2.340 359 Q HA 0.422 4.762 4.340 -0.000 0.000 0.249 359 Q C -0.385 175.804 176.000 0.314 0.000 0.957 359 Q CA -0.263 55.706 55.803 0.276 0.000 0.882 359 Q CB 1.129 30.060 28.738 0.321 0.000 1.235 359 Q HN 0.456 nan 8.270 nan 0.000 0.439 360 S N 1.403 117.214 115.700 0.185 0.000 2.580 360 S HA 0.383 4.853 4.470 -0.000 0.000 0.274 360 S C -0.734 173.872 174.600 0.011 0.000 1.329 360 S CA -0.525 57.629 58.200 -0.077 0.000 1.036 360 S CB 0.452 63.509 63.200 -0.239 0.000 0.919 360 S HN 0.383 nan 8.310 nan 0.000 0.515 361 L N 4.219 125.409 121.223 -0.054 0.000 2.409 361 L HA 0.732 5.072 4.340 -0.000 0.000 0.272 361 L C -0.890 175.800 176.870 -0.300 0.000 0.980 361 L CA -0.663 54.037 54.840 -0.234 0.000 0.826 361 L CB 1.654 43.527 42.059 -0.310 0.000 1.268 361 L HN 0.473 nan 8.230 nan 0.000 0.407 362 V N 1.952 121.627 119.914 -0.398 0.000 2.715 362 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 362 V C -1.036 174.899 176.094 -0.266 0.000 1.054 362 V CA -0.688 61.302 62.300 -0.518 0.000 0.928 362 V CB 1.699 33.043 31.823 -0.798 0.000 1.007 362 V HN 0.837 nan 8.190 nan 0.000 0.437 363 F N 4.463 124.179 119.950 -0.391 0.000 2.608 363 F HA 0.865 5.392 4.527 0.000 0.000 0.309 363 F C -0.478 175.203 175.800 -0.198 0.000 1.103 363 F CA -0.327 57.542 58.000 -0.218 0.000 0.954 363 F CB 1.426 40.329 39.000 -0.162 0.000 1.267 363 F HN 1.220 nan 8.300 nan 0.000 0.444 364 C N 2.984 121.729 119.300 -0.926 0.000 3.318 364 C HA 0.826 5.286 4.460 -0.000 0.000 0.322 364 C C -1.714 172.835 174.990 -0.734 0.000 1.398 364 C CA -0.667 57.773 59.018 -0.964 0.000 1.339 364 C CB 1.683 29.067 27.740 -0.593 0.000 1.668 364 C HN 0.973 nan 8.230 nan 0.000 0.462 365 Q N 0.727 120.292 119.800 -0.392 0.000 2.387 365 Q HA 0.752 5.092 4.340 -0.000 0.000 0.273 365 Q C -0.424 175.648 176.000 0.119 0.000 1.089 365 Q CA -0.243 55.563 55.803 0.004 0.000 0.824 365 Q CB 2.579 31.331 28.738 0.024 0.000 1.367 365 Q HN 0.931 nan 8.270 nan 0.000 0.443 366 T N -2.518 112.186 114.554 0.250 0.000 2.932 366 T HA 0.685 5.035 4.350 -0.000 0.000 0.289 366 T C -0.487 174.297 174.700 0.140 0.000 1.039 366 T CA -0.734 61.475 62.100 0.183 0.000 1.024 366 T CB 1.217 70.222 68.868 0.228 0.000 1.090 366 T HN 0.265 nan 8.240 nan 0.000 0.496 367 V N 3.042 123.001 119.914 0.075 0.000 2.370 367 V HA 0.383 4.503 4.120 -0.000 0.000 0.283 367 V C 0.387 176.509 176.094 0.046 0.000 1.023 367 V CA -0.916 61.418 62.300 0.056 0.000 0.857 367 V CB 1.100 32.942 31.823 0.032 0.000 0.985 367 V HN 1.026 nan 8.190 nan 0.000 0.443 368 M N 4.867 124.501 119.600 0.058 0.000 2.248 368 M HA 0.070 4.550 4.480 -0.000 0.000 0.343 368 M C 0.903 177.219 176.300 0.027 0.000 1.243 368 M CA 0.741 56.073 55.300 0.054 0.000 1.025 368 M CB 0.576 33.206 32.600 0.050 0.000 1.759 368 M HN 0.939 nan 8.290 nan 0.000 0.452 369 S N 2.633 118.344 115.700 0.019 0.000 2.563 369 S HA 0.039 4.509 4.470 -0.000 0.000 0.284 369 S C 1.023 175.630 174.600 0.012 0.000 1.331 369 S CA -0.025 58.176 58.200 0.002 0.000 1.047 369 S CB 0.489 63.685 63.200 -0.006 0.000 0.859 369 S HN 0.815 nan 8.310 nan 0.000 0.514 370 T N 2.224 116.781 114.554 0.004 0.000 2.665 370 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 370 T C 1.631 176.341 174.700 0.017 0.000 1.035 370 T CA 2.018 64.125 62.100 0.010 0.000 1.151 370 T CB -0.572 68.299 68.868 0.004 0.000 0.862 370 T HN 0.789 nan 8.240 nan 0.000 0.438 371 E N 0.576 120.783 120.200 0.011 0.000 2.058 371 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 371 E C 2.280 178.901 176.600 0.033 0.000 0.997 371 E CA 1.028 57.438 56.400 0.016 0.000 0.801 371 E CB -0.312 29.390 29.700 0.004 0.000 0.746 371 E HN 0.428 nan 8.360 nan 0.000 0.450 372 L N 0.683 121.929 121.223 0.039 0.000 2.056 372 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 372 L C 2.430 179.344 176.870 0.073 0.000 1.078 372 L CA 0.458 55.336 54.840 0.064 0.000 0.749 372 L CB -0.295 41.803 42.059 0.065 0.000 0.901 372 L HN 0.202 nan 8.230 nan 0.000 0.433 373 I N 0.036 120.636 120.570 0.051 0.000 2.179 373 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 373 I C 2.189 178.340 176.117 0.058 0.000 1.088 373 I CA 1.558 62.885 61.300 0.046 0.000 1.357 373 I CB -1.188 36.830 38.000 0.030 0.000 1.051 373 I HN 0.283 nan 8.210 nan 0.000 0.409 374 D N 0.721 121.153 120.400 0.053 0.000 2.149 374 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 374 D C 2.366 178.713 176.300 0.078 0.000 0.990 374 D CA 1.690 55.724 54.000 0.056 0.000 0.839 374 D CB -0.165 40.659 40.800 0.041 0.000 0.948 374 D HN 0.389 nan 8.370 nan 0.000 0.460 375 S N 0.047 115.802 115.700 0.092 0.000 2.419 375 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 375 S C 2.154 176.879 174.600 0.209 0.000 1.019 375 S CA 0.860 59.145 58.200 0.141 0.000 0.982 375 S CB -0.540 62.741 63.200 0.135 0.000 0.789 375 S HN 0.095 nan 8.310 nan 0.000 0.490 376 V N 2.971 122.991 119.914 0.176 0.000 2.469 376 V HA -0.154 3.966 4.120 -0.000 0.000 0.251 376 V C 2.230 178.440 176.094 0.194 0.000 1.064 376 V CA 2.117 64.550 62.300 0.222 0.000 1.066 376 V CB -0.800 31.085 31.823 0.103 0.000 0.667 376 V HN 0.827 nan 8.190 nan 0.000 0.461 377 K N 0.132 120.610 120.400 0.130 0.000 2.498 377 K HA 0.175 4.495 4.320 -0.000 0.000 0.207 377 K C 1.645 178.298 176.600 0.090 0.000 1.033 377 K CA 0.682 57.032 56.287 0.105 0.000 1.138 377 K CB 0.221 32.773 32.500 0.086 0.000 0.860 377 K HN 0.419 nan 8.250 nan 0.000 0.490 378 S N 1.325 117.092 115.700 0.111 0.000 2.392 378 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 378 S C 1.062 175.684 174.600 0.036 0.000 1.041 378 S CA 1.592 59.832 58.200 0.068 0.000 1.026 378 S CB -0.343 62.888 63.200 0.052 0.000 0.845 378 S HN 0.343 nan 8.310 nan 0.000 0.465 379 D N 0.690 121.117 120.400 0.045 0.000 2.339 379 D HA 0.234 4.874 4.640 -0.000 0.000 0.217 379 D C 0.168 176.511 176.300 0.072 0.000 1.050 379 D CA 0.244 54.261 54.000 0.029 0.000 0.856 379 D CB -0.050 40.748 40.800 -0.003 0.000 0.922 379 D HN 0.367 nan 8.370 nan 0.000 0.518 380 M N 0.521 120.162 119.600 0.069 0.000 2.235 380 M HA 0.200 4.680 4.480 -0.000 0.000 0.351 380 M C 0.342 176.675 176.300 0.054 0.000 1.178 380 M CA 0.103 55.453 55.300 0.083 0.000 1.143 380 M CB 0.936 33.577 32.600 0.068 0.000 1.530 380 M HN -0.316 nan 8.290 nan 0.000 0.461 381 T N 4.265 118.845 114.554 0.044 0.000 2.767 381 T HA 0.692 5.042 4.350 -0.000 0.000 0.284 381 T C 0.006 174.688 174.700 -0.031 0.000 0.973 381 T CA -0.362 61.743 62.100 0.008 0.000 0.996 381 T CB 0.712 69.580 68.868 -0.000 0.000 0.927 381 T HN 0.438 nan 8.240 nan 0.000 0.456 382 I N 4.371 124.920 120.570 -0.035 0.000 2.418 382 I HA 0.480 4.650 4.170 -0.000 0.000 0.287 382 I C 0.021 176.102 176.117 -0.058 0.000 1.008 382 I CA -0.819 60.431 61.300 -0.082 0.000 1.104 382 I CB 1.310 39.304 38.000 -0.011 0.000 1.264 382 I HN 0.445 nan 8.210 nan 0.000 0.438 383 R N 4.393 124.824 120.500 -0.115 0.000 2.795 383 R HA 0.886 5.226 4.340 -0.000 0.000 0.275 383 R C -0.113 176.194 176.300 0.012 0.000 0.981 383 R CA -1.028 55.050 56.100 -0.037 0.000 0.917 383 R CB 1.909 32.184 30.300 -0.041 0.000 1.202 383 R HN 0.774 nan 8.270 nan 0.000 0.469 384 G N 0.766 109.617 108.800 0.084 0.000 2.796 384 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.571 384 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.571 384 G C -0.789 174.264 174.900 0.256 0.000 1.370 384 G CA -0.436 44.756 45.100 0.153 0.000 0.856 384 G HN 0.773 nan 8.290 nan 0.000 0.538 385 T N 0.025 114.697 114.554 0.197 0.000 2.863 385 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 385 T C -2.821 171.824 174.700 -0.092 0.000 1.009 385 T CA -1.455 60.708 62.100 0.105 0.000 0.989 385 T CB 2.319 71.205 68.868 0.030 0.000 1.004 385 T HN 0.519 nan 8.240 nan 0.000 0.455 386 P HA 0.154 nan 4.420 nan 0.000 0.263 386 P C 1.215 178.304 177.300 -0.352 0.000 1.168 386 P CA 1.630 64.223 63.100 -0.845 0.000 0.759 386 P CB 0.044 31.362 31.700 -0.637 0.000 0.782 387 G N 1.834 110.472 108.800 -0.270 0.000 2.195 387 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 387 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 387 G C -0.136 174.741 174.900 -0.038 0.000 0.984 387 G CA -0.249 44.785 45.100 -0.110 0.000 0.633 387 G HN 0.566 nan 8.290 nan 0.000 0.525 388 E N 0.591 120.785 120.200 -0.010 0.000 2.283 388 E HA 0.555 4.905 4.350 -0.000 0.000 0.278 388 E C 1.345 177.987 176.600 0.070 0.000 1.027 388 E CA -0.554 55.867 56.400 0.035 0.000 0.843 388 E CB 1.690 31.421 29.700 0.051 0.000 1.062 388 E HN 0.140 nan 8.360 nan 0.000 0.401 389 L N 3.381 124.633 121.223 0.047 0.000 2.336 389 L HA -0.376 3.964 4.340 -0.000 0.000 0.235 389 L C 1.838 178.744 176.870 0.061 0.000 1.136 389 L CA 3.045 57.912 54.840 0.046 0.000 0.857 389 L CB -1.473 40.605 42.059 0.031 0.000 0.952 389 L HN 0.872 nan 8.230 nan 0.000 0.449 390 T N -4.328 110.268 114.554 0.071 0.000 3.107 390 T HA 0.040 4.390 4.350 -0.000 0.000 0.249 390 T C 0.522 175.281 174.700 0.099 0.000 1.096 390 T CA -0.217 61.921 62.100 0.063 0.000 1.012 390 T CB -0.699 68.197 68.868 0.046 0.000 0.977 390 T HN 0.274 nan 8.240 nan 0.000 0.527 391 Y N 2.887 123.188 120.300 0.000 0.000 2.620 391 Y HA 0.400 4.950 4.550 -0.000 0.000 0.330 391 Y C 0.233 176.135 175.900 0.002 0.000 1.186 391 Y CA -0.338 57.763 58.100 0.001 0.000 1.467 391 Y CB 0.274 38.733 38.460 -0.001 0.000 1.262 391 Y HN 0.194 nan 8.280 nan 0.000 0.550 392 S N 4.919 120.333 115.700 -0.477 0.000 2.546 392 S HA 0.751 5.221 4.470 -0.000 0.000 0.272 392 S C -2.046 172.268 174.600 -0.477 0.000 1.140 392 S CA -0.697 57.280 58.200 -0.372 0.000 0.920 392 S CB 0.893 63.992 63.200 -0.167 0.000 1.083 392 S HN 0.486 nan 8.310 nan 0.000 0.476 393 V N 4.103 123.823 119.914 -0.323 0.000 2.525 393 V HA 0.781 4.901 4.120 -0.000 0.000 0.299 393 V C -0.158 175.906 176.094 -0.051 0.000 1.034 393 V CA -0.446 61.733 62.300 -0.201 0.000 0.863 393 V CB 1.580 33.308 31.823 -0.158 0.000 0.999 393 V HN 1.050 nan 8.190 nan 0.000 0.423 394 T N 1.640 116.196 114.554 0.002 0.000 2.883 394 T HA 0.858 5.208 4.350 -0.000 0.000 0.301 394 T C -1.071 173.718 174.700 0.148 0.000 1.158 394 T CA -0.730 61.397 62.100 0.045 0.000 1.007 394 T CB 2.305 71.151 68.868 -0.036 0.000 1.186 394 T HN 0.867 nan 8.240 nan 0.000 0.499 395 Y N -1.479 118.814 120.300 -0.011 0.000 2.669 395 Y HA 0.817 5.367 4.550 -0.000 0.000 0.335 395 Y C -0.797 175.097 175.900 -0.010 0.000 1.116 395 Y CA -1.375 56.721 58.100 -0.008 0.000 1.081 395 Y CB 0.810 39.272 38.460 0.004 0.000 1.297 395 Y HN 0.633 nan 8.280 nan 0.000 0.484 396 T N 3.819 118.360 114.554 -0.022 0.000 2.781 396 T HA 0.407 4.757 4.350 -0.000 0.000 0.305 396 T C -2.820 171.855 174.700 -0.042 0.000 1.001 396 T CA -1.334 60.697 62.100 -0.115 0.000 0.950 396 T CB 0.695 69.546 68.868 -0.029 0.000 0.955 396 T HN 0.342 nan 8.240 nan 0.000 0.471 397 P HA 0.248 nan 4.420 nan 0.000 0.268 397 P C 1.121 178.457 177.300 0.060 0.000 1.204 397 P CA 0.656 63.779 63.100 0.039 0.000 0.768 397 P CB 0.454 32.126 31.700 -0.047 0.000 0.842 398 G N 2.044 110.905 108.800 0.101 0.000 2.184 398 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 398 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 398 G C 0.497 175.411 174.900 0.024 0.000 0.975 398 G CA 0.055 45.185 45.100 0.049 0.000 0.642 398 G HN 0.857 nan 8.290 nan 0.000 0.536 399 A N 0.584 123.420 122.820 0.026 0.000 2.511 399 A HA 0.613 4.933 4.320 -0.000 0.000 0.242 399 A C 1.796 179.373 177.584 -0.012 0.000 1.069 399 A CA 1.292 53.332 52.037 0.005 0.000 0.763 399 A CB 0.272 19.277 19.000 0.007 0.000 1.001 399 A HN 1.706 nan 8.150 nan 0.000 0.498 400 S N 1.261 116.950 115.700 -0.019 0.000 2.423 400 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 400 S C 1.422 175.993 174.600 -0.048 0.000 1.014 400 S CA 1.596 59.778 58.200 -0.031 0.000 0.965 400 S CB -0.856 62.329 63.200 -0.025 0.000 0.785 400 S HN 1.191 nan 8.310 nan 0.000 0.495 401 T N -0.804 113.723 114.554 -0.045 0.000 3.148 401 T HA 0.188 4.538 4.350 -0.000 0.000 0.253 401 T C 0.395 175.044 174.700 -0.084 0.000 1.134 401 T CA -0.426 61.638 62.100 -0.060 0.000 1.051 401 T CB -0.614 68.227 68.868 -0.044 0.000 0.959 401 T HN 0.181 nan 8.240 nan 0.000 0.525 402 N N 2.218 120.869 118.700 -0.081 0.000 2.458 402 N HA 0.212 4.952 4.740 -0.000 0.000 0.258 402 N C 0.794 176.163 175.510 -0.236 0.000 1.219 402 N CA -0.111 52.865 53.050 -0.123 0.000 0.902 402 N CB 1.096 39.535 38.487 -0.079 0.000 1.076 402 N HN 0.085 nan 8.380 nan 0.000 0.455 403 K N 1.055 121.226 120.400 -0.382 0.000 2.366 403 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 403 K C -0.084 175.962 176.600 -0.925 0.000 1.044 403 K CA 0.975 56.867 56.287 -0.659 0.000 0.973 403 K CB 0.069 32.046 32.500 -0.871 0.000 0.767 403 K HN 0.558 nan 8.250 nan 0.000 0.475 404 H N -1.167 117.587 119.070 -0.526 0.000 2.865 404 H HA 0.339 4.895 4.556 -0.000 0.000 0.372 404 H C -2.428 172.573 175.328 -0.544 0.000 1.173 404 H CA -2.579 52.993 56.048 -0.794 0.000 1.147 404 H CB 1.327 30.156 29.762 -1.555 0.000 1.805 404 H HN -0.186 nan 8.280 nan 0.000 0.553 405 P HA 0.020 nan 4.420 nan 0.000 0.272 405 P C 0.363 177.481 177.300 -0.303 0.000 1.240 405 P CA -0.215 62.691 63.100 -0.324 0.000 0.791 405 P CB 1.175 32.613 31.700 -0.437 0.000 0.978 406 D N -0.062 120.286 120.400 -0.085 0.000 2.178 406 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 406 D C 1.852 178.179 176.300 0.046 0.000 0.980 406 D CA 1.209 55.235 54.000 0.043 0.000 0.842 406 D CB -0.406 40.517 40.800 0.204 0.000 0.948 406 D HN 0.604 nan 8.370 nan 0.000 0.472 407 W N -0.093 121.282 121.300 0.124 0.000 2.388 407 W HA -0.105 4.555 4.660 0.000 0.000 0.294 407 W C 1.945 178.539 176.519 0.125 0.000 1.212 407 W CA 0.014 57.427 57.345 0.114 0.000 1.271 407 W CB -1.324 28.196 29.460 0.101 0.000 1.126 407 W HN 0.029 nan 8.180 nan 0.000 0.535 408 W N 3.576 124.465 121.300 -0.685 0.000 2.379 408 W HA -0.162 4.498 4.660 -0.000 0.000 0.307 408 W C 1.852 178.126 176.519 -0.409 0.000 1.200 408 W CA 1.699 58.632 57.345 -0.686 0.000 1.297 408 W CB -1.023 27.793 29.460 -1.073 0.000 1.140 408 W HN -0.106 nan 8.180 nan 0.000 0.507 409 N N 0.910 119.534 118.700 -0.127 0.000 2.244 409 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 409 N C 1.508 176.780 175.510 -0.396 0.000 1.016 409 N CA 1.799 54.572 53.050 -0.462 0.000 0.866 409 N CB -0.584 37.143 38.487 -1.267 0.000 0.980 409 N HN 0.218 nan 8.380 nan 0.000 0.430 410 E N 1.508 121.610 120.200 -0.162 0.000 2.077 410 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 410 E C 1.666 178.327 176.600 0.101 0.000 0.989 410 E CA 1.304 57.774 56.400 0.117 0.000 0.800 410 E CB 0.071 29.897 29.700 0.210 0.000 0.746 410 E HN 0.240 nan 8.360 nan 0.000 0.452 411 K N -0.443 120.005 120.400 0.080 0.000 2.026 411 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 411 K C 2.137 178.758 176.600 0.036 0.000 1.048 411 K CA 1.367 57.693 56.287 0.065 0.000 0.929 411 K CB -0.175 32.356 32.500 0.052 0.000 0.713 411 K HN 0.036 nan 8.250 nan 0.000 0.439 412 V N 2.034 121.935 119.914 -0.021 0.000 2.261 412 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 412 V C 2.414 178.559 176.094 0.084 0.000 1.047 412 V CA 1.852 64.156 62.300 0.007 0.000 1.015 412 V CB -0.458 31.364 31.823 -0.002 0.000 0.642 412 V HN 0.370 nan 8.190 nan 0.000 0.446 413 K N 0.292 120.737 120.400 0.075 0.000 2.044 413 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 413 K C 1.995 178.658 176.600 0.105 0.000 1.049 413 K CA 2.193 58.547 56.287 0.111 0.000 0.927 413 K CB -0.256 32.360 32.500 0.194 0.000 0.713 413 K HN 0.445 nan 8.250 nan 0.000 0.443 414 N N 0.180 118.949 118.700 0.114 0.000 2.188 414 N HA -0.180 4.560 4.740 -0.000 0.000 0.184 414 N C 1.749 177.325 175.510 0.110 0.000 1.018 414 N CA 1.460 54.571 53.050 0.101 0.000 0.858 414 N CB -0.634 37.917 38.487 0.107 0.000 0.989 414 N HN 0.443 nan 8.380 nan 0.000 0.426 415 H N 0.854 119.961 119.070 0.061 0.000 2.293 415 H HA 0.069 4.625 4.556 -0.000 0.000 0.300 415 H C 2.035 177.424 175.328 0.102 0.000 1.082 415 H CA 1.828 57.932 56.048 0.093 0.000 1.308 415 H CB -0.187 29.553 29.762 -0.037 0.000 1.375 415 H HN 0.091 nan 8.280 nan 0.000 0.495 416 M N -0.781 118.797 119.600 -0.036 0.000 2.213 416 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 416 M C 1.877 178.218 176.300 0.069 0.000 1.062 416 M CA 1.235 56.523 55.300 -0.021 0.000 1.105 416 M CB -0.012 32.656 32.600 0.114 0.000 1.385 416 M HN 0.352 nan 8.290 nan 0.000 0.417 417 M N -0.377 119.255 119.600 0.053 0.000 2.288 417 M HA -0.090 4.390 4.480 -0.000 0.000 0.266 417 M C 1.870 178.159 176.300 -0.019 0.000 1.072 417 M CA 1.596 56.940 55.300 0.073 0.000 1.132 417 M CB -0.807 31.817 32.600 0.040 0.000 1.386 417 M HN 0.340 nan 8.290 nan 0.000 0.432 418 Q N -0.911 118.806 119.800 -0.137 0.000 2.354 418 Q HA -0.028 4.311 4.340 -0.000 0.000 0.203 418 Q C 0.030 175.682 176.000 -0.580 0.000 0.933 418 Q CA 0.701 56.299 55.803 -0.341 0.000 0.901 418 Q CB 0.371 28.861 28.738 -0.413 0.000 1.007 418 Q HN 0.546 nan 8.270 nan 0.000 0.495 419 H N 0.449 119.452 119.070 -0.111 0.000 2.348 419 H HA 0.213 4.769 4.556 -0.000 0.000 0.232 419 H C 0.081 175.323 175.328 -0.142 0.000 1.419 419 H CA -0.094 55.892 56.048 -0.104 0.000 1.416 419 H CB 0.536 30.212 29.762 -0.143 0.000 1.510 419 H HN 0.246 nan 8.280 nan 0.000 0.507 420 Q N 0.678 120.455 119.800 -0.038 0.000 2.435 420 Q HA -0.089 4.251 4.340 -0.000 0.000 0.207 420 Q C 1.596 177.524 176.000 -0.121 0.000 0.956 420 Q CA 0.672 56.398 55.803 -0.129 0.000 0.917 420 Q CB 0.479 29.100 28.738 -0.195 0.000 0.997 420 Q HN 0.511 nan 8.270 nan 0.000 0.497 421 E N 0.860 121.045 120.200 -0.024 0.000 2.478 421 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 421 E C -0.426 176.195 176.600 0.035 0.000 1.045 421 E CA 0.351 56.751 56.400 -0.001 0.000 0.868 421 E CB 0.035 29.756 29.700 0.034 0.000 0.885 421 E HN 0.153 nan 8.360 nan 0.000 0.505 422 D N 1.956 122.386 120.400 0.050 0.000 2.232 422 D HA 0.154 4.794 4.640 -0.000 0.000 0.242 422 D C -1.592 174.741 176.300 0.055 0.000 1.093 422 D CA -2.161 51.895 54.000 0.092 0.000 0.845 422 D CB 1.671 42.555 40.800 0.140 0.000 1.124 422 D HN -0.202 nan 8.370 nan 0.000 0.467 423 P HA 0.097 nan 4.420 nan 0.000 0.245 423 P C -0.296 177.042 177.300 0.063 0.000 1.212 423 P CA 0.203 63.334 63.100 0.051 0.000 0.774 423 P CB 0.347 32.073 31.700 0.043 0.000 0.999 424 L N 1.614 122.889 121.223 0.085 0.000 2.334 424 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 424 L C -1.564 175.363 176.870 0.094 0.000 1.013 424 L CA -2.229 52.646 54.840 0.058 0.000 0.816 424 L CB 2.828 44.891 42.059 0.007 0.000 1.278 424 L HN -0.313 nan 8.230 nan 0.000 0.431 425 P HA 0.127 nan 4.420 nan 0.000 0.261 425 P C 0.193 177.428 177.300 -0.107 0.000 1.268 425 P CA 0.331 63.476 63.100 0.074 0.000 0.833 425 P CB 0.472 32.204 31.700 0.053 0.000 1.231 426 I N 2.524 122.926 120.570 -0.280 0.000 2.416 426 I HA 0.190 4.360 4.170 -0.000 0.000 0.288 426 I C -2.094 173.514 176.117 -0.849 0.000 1.051 426 I CA -2.574 58.465 61.300 -0.434 0.000 1.375 426 I CB 0.584 38.413 38.000 -0.286 0.000 1.407 426 I HN -0.224 nan 8.210 nan 0.000 0.516 427 P HA 0.023 nan 4.420 nan 0.000 0.268 427 P C 0.290 177.311 177.300 -0.465 0.000 1.205 427 P CA -0.013 62.676 63.100 -0.685 0.000 0.771 427 P CB 0.353 31.910 31.700 -0.238 0.000 0.858 428 F N 0.822 120.619 119.950 -0.255 0.000 2.216 428 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 428 F C 1.672 177.422 175.800 -0.083 0.000 1.085 428 F CA 1.554 59.467 58.000 -0.144 0.000 1.326 428 F CB -0.797 38.135 39.000 -0.114 0.000 1.027 428 F HN 0.399 nan 8.300 nan 0.000 0.497 429 E N -0.343 119.924 120.200 0.113 0.000 2.437 429 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 429 E C -0.278 176.336 176.600 0.022 0.000 1.029 429 E CA -0.241 56.204 56.400 0.074 0.000 0.948 429 E CB -0.188 29.558 29.700 0.078 0.000 1.082 429 E HN 0.182 nan 8.360 nan 0.000 0.456 430 D N 2.514 122.905 120.400 -0.015 0.000 2.450 430 D HA 0.032 4.672 4.640 -0.000 0.000 0.247 430 D C -2.273 174.037 176.300 0.016 0.000 1.162 430 D CA -1.546 52.435 54.000 -0.032 0.000 0.879 430 D CB 0.814 41.556 40.800 -0.097 0.000 1.163 430 D HN -0.128 nan 8.370 nan 0.000 0.472 431 P HA 0.080 nan 4.420 nan 0.000 0.272 431 P C -0.407 177.010 177.300 0.195 0.000 1.240 431 P CA -0.384 62.795 63.100 0.133 0.000 0.791 431 P CB 0.366 32.128 31.700 0.104 0.000 0.978 432 E N 2.287 122.625 120.200 0.229 0.000 2.392 432 E HA 0.163 4.513 4.350 -0.000 0.000 0.259 432 E C -2.368 174.284 176.600 0.088 0.000 1.108 432 E CA -1.912 54.554 56.400 0.110 0.000 0.916 432 E CB -0.850 28.873 29.700 0.039 0.000 0.989 432 E HN 0.266 nan 8.360 nan 0.000 0.432 433 P HA 0.029 nan 4.420 nan 0.000 0.271 433 P C -0.488 176.826 177.300 0.022 0.000 1.218 433 P CA 0.049 63.221 63.100 0.120 0.000 0.780 433 P CB 0.494 32.216 31.700 0.037 0.000 0.901 434 Q N 1.238 121.131 119.800 0.154 0.000 3.180 434 Q HA 0.290 4.630 4.340 -0.000 0.000 0.317 434 Q C -0.814 175.265 176.000 0.132 0.000 0.824 434 Q CA -0.379 55.395 55.803 -0.048 0.000 0.926 434 Q CB 1.076 29.528 28.738 -0.477 0.000 1.487 434 Q HN 0.212 nan 8.270 nan 0.000 0.389 435 V N 0.619 120.584 119.914 0.086 0.000 2.547 435 V HA 0.725 4.845 4.120 -0.000 0.000 0.299 435 V C 0.244 176.355 176.094 0.028 0.000 1.040 435 V CA -0.358 61.993 62.300 0.085 0.000 0.913 435 V CB 1.975 33.794 31.823 -0.007 0.000 0.992 435 V HN 0.413 nan 8.190 nan 0.000 0.449 436 T N 1.707 116.305 114.554 0.073 0.000 2.916 436 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 436 T C -0.832 173.810 174.700 -0.096 0.000 1.119 436 T CA -0.333 61.747 62.100 -0.033 0.000 1.008 436 T CB 1.817 70.644 68.868 -0.068 0.000 1.129 436 T HN 0.829 nan 8.240 nan 0.000 0.480 437 T N 5.056 119.397 114.554 -0.355 0.000 2.770 437 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 437 T C 0.119 174.666 174.700 -0.255 0.000 0.997 437 T CA -0.620 61.116 62.100 -0.607 0.000 0.949 437 T CB -0.365 67.739 68.868 -1.274 0.000 0.941 437 T HN 0.522 nan 8.240 nan 0.000 0.457 438 L N 4.294 125.452 121.223 -0.109 0.000 2.473 438 L HA 0.387 4.727 4.340 -0.000 0.000 0.268 438 L C 0.845 177.730 176.870 0.025 0.000 1.215 438 L CA -0.962 53.902 54.840 0.039 0.000 0.823 438 L CB 0.124 42.210 42.059 0.045 0.000 1.099 438 L HN 0.588 nan 8.230 nan 0.000 0.483 439 F N 2.309 122.196 119.950 -0.104 0.000 2.604 439 F HA -0.076 4.451 4.527 -0.000 0.000 0.390 439 F C 0.294 175.859 175.800 -0.391 0.000 1.053 439 F CA 0.747 58.593 58.000 -0.256 0.000 1.256 439 F CB 0.122 39.017 39.000 -0.175 0.000 0.996 439 F HN 0.391 nan 8.300 nan 0.000 0.564 440 Q N 6.093 125.373 119.800 -0.867 0.000 2.534 440 Q HA 0.209 4.549 4.340 -0.000 0.000 0.290 440 Q C -2.123 173.392 176.000 -0.809 0.000 0.991 440 Q CA -1.614 53.796 55.803 -0.654 0.000 0.783 440 Q CB 1.422 29.721 28.738 -0.732 0.000 1.470 440 Q HN 0.213 nan 8.270 nan 0.000 0.406 441 P HA -0.194 nan 4.420 nan 0.000 0.217 441 P C 1.200 178.264 177.300 -0.393 0.000 1.148 441 P CA 2.000 64.912 63.100 -0.314 0.000 0.828 441 P CB 0.200 31.812 31.700 -0.146 0.000 0.783 442 S N -1.618 113.833 115.700 -0.415 0.000 2.558 442 S HA -0.051 4.419 4.470 -0.000 0.000 0.217 442 S C 0.364 174.752 174.600 -0.352 0.000 0.975 442 S CA -0.175 57.863 58.200 -0.269 0.000 0.912 442 S CB -1.125 62.023 63.200 -0.087 0.000 0.776 442 S HN 0.406 nan 8.310 nan 0.000 0.526 443 H N -1.222 117.396 119.070 -0.755 0.000 2.809 443 H HA 0.442 4.998 4.556 -0.000 0.000 0.268 443 H C -3.285 170.947 175.328 -1.826 0.000 1.403 443 H CA -1.521 53.684 56.048 -1.406 0.000 1.564 443 H CB 0.416 29.599 29.762 -0.964 0.000 1.834 443 H HN 0.043 nan 8.280 nan 0.000 0.613 444 P HA 0.116 nan 4.420 nan 0.000 0.220 444 P C -1.272 175.479 177.300 -0.914 0.000 1.806 444 P CA 0.113 62.071 63.100 -1.903 0.000 0.976 444 P CB -0.992 30.150 31.700 -0.930 0.000 1.952 445 W N -0.298 120.768 121.300 -0.391 0.000 3.167 445 W HA 0.526 5.186 4.660 -0.000 0.000 0.324 445 W C -0.770 175.871 176.519 0.203 0.000 1.230 445 W CA -1.274 56.145 57.345 0.124 0.000 1.184 445 W CB 0.060 29.598 29.460 0.130 0.000 1.414 445 W HN 0.000 nan 8.180 nan 0.000 0.551 446 H N 1.131 120.476 119.070 0.458 0.000 2.551 446 H HA 0.676 5.232 4.556 -0.000 0.000 0.358 446 H C -0.098 175.373 175.328 0.238 0.000 1.151 446 H CA 0.576 56.776 56.048 0.254 0.000 1.374 446 H CB 1.383 31.224 29.762 0.131 0.000 1.473 446 H HN 0.571 nan 8.280 nan 0.000 0.574 447 T N 1.986 116.145 114.554 -0.657 0.000 2.893 447 T HA 0.507 4.857 4.350 -0.000 0.000 0.293 447 T C -0.854 173.507 174.700 -0.565 0.000 1.027 447 T CA -1.130 60.628 62.100 -0.569 0.000 0.988 447 T CB 1.668 70.116 68.868 -0.699 0.000 1.043 447 T HN 0.666 nan 8.240 nan 0.000 0.461 448 Q N 1.802 121.482 119.800 -0.199 0.000 2.274 448 Q HA 0.516 4.856 4.340 -0.000 0.000 0.268 448 Q C -1.274 174.600 176.000 -0.209 0.000 1.015 448 Q CA -0.575 55.039 55.803 -0.315 0.000 0.775 448 Q CB 2.512 30.963 28.738 -0.479 0.000 1.256 448 Q HN 0.709 nan 8.270 nan 0.000 0.442 449 I N 4.748 125.176 120.570 -0.237 0.000 2.464 449 I HA 0.362 4.532 4.170 -0.000 0.000 0.277 449 I C -0.391 175.646 176.117 -0.133 0.000 1.040 449 I CA -0.440 60.648 61.300 -0.353 0.000 1.153 449 I CB 0.301 37.970 38.000 -0.552 0.000 1.274 449 I HN 0.666 nan 8.210 nan 0.000 0.469 450 H N 4.681 123.612 119.070 -0.232 0.000 3.150 450 H HA 0.613 5.169 4.556 -0.000 0.000 0.270 450 H C -1.369 173.926 175.328 -0.055 0.000 1.573 450 H CA -1.284 54.694 56.048 -0.115 0.000 1.195 450 H CB 1.282 31.005 29.762 -0.065 0.000 1.874 450 H HN 0.187 nan 8.280 nan 0.000 0.691 451 R N 0.822 121.170 120.500 -0.253 0.000 2.604 451 R HA 0.553 4.893 4.340 -0.000 0.000 0.281 451 R C -1.337 174.735 176.300 -0.380 0.000 1.020 451 R CA -0.452 55.471 56.100 -0.295 0.000 0.899 451 R CB 1.767 32.002 30.300 -0.109 0.000 1.205 451 R HN 0.883 nan 8.270 nan 0.000 0.450 452 D N 0.120 120.314 120.400 -0.343 0.000 2.710 452 D HA 0.454 5.094 4.640 -0.000 0.000 0.276 452 D C -1.505 174.633 176.300 -0.269 0.000 1.267 452 D CA -0.351 53.451 54.000 -0.330 0.000 0.772 452 D CB 2.356 42.943 40.800 -0.356 0.000 1.299 452 D HN 0.498 nan 8.370 nan 0.000 0.421 453 A N 1.057 123.622 122.820 -0.424 0.000 2.292 453 A HA 0.747 5.067 4.320 -0.000 0.000 0.319 453 A C -1.164 176.048 177.584 -0.621 0.000 1.206 453 A CA -0.207 51.643 52.037 -0.311 0.000 0.835 453 A CB 0.225 19.157 19.000 -0.114 0.000 1.164 453 A HN 0.318 nan 8.150 nan 0.000 0.505 454 F N 0.074 119.831 119.950 -0.322 0.000 2.706 454 F HA 0.383 4.910 4.527 0.000 0.000 0.328 454 F C 1.700 177.262 175.800 -0.396 0.000 1.123 454 F CA 0.171 57.929 58.000 -0.404 0.000 0.978 454 F CB 1.772 40.289 39.000 -0.805 0.000 1.404 454 F HN 0.573 nan 8.300 nan 0.000 0.497 455 S N -0.503 115.163 115.700 -0.056 0.000 2.474 455 S HA -0.188 4.282 4.470 -0.000 0.000 0.235 455 S C 0.907 175.522 174.600 0.024 0.000 0.997 455 S CA 1.357 59.556 58.200 -0.002 0.000 0.949 455 S CB -0.891 62.365 63.200 0.094 0.000 0.766 455 S HN 0.708 nan 8.310 nan 0.000 0.517 456 Y N 0.043 120.332 120.300 -0.019 0.000 2.481 456 Y HA 0.646 5.196 4.550 -0.000 0.000 0.247 456 Y C 1.005 176.857 175.900 -0.079 0.000 1.151 456 Y CA -1.330 56.725 58.100 -0.075 0.000 1.238 456 Y CB -0.771 37.597 38.460 -0.153 0.000 1.179 456 Y HN 0.144 nan 8.280 nan 0.000 0.524 457 G N 1.452 110.094 108.800 -0.262 0.000 2.474 457 G HA2 0.341 4.301 3.960 -0.000 0.000 0.233 457 G HA3 0.341 4.301 3.960 -0.000 0.000 0.233 457 G C -0.007 174.894 174.900 0.003 0.000 1.278 457 G CA 0.253 45.284 45.100 -0.114 0.000 0.861 457 G HN 0.693 nan 8.290 nan 0.000 0.567 458 A N 0.760 123.613 122.820 0.056 0.000 2.869 458 A HA 0.795 5.115 4.320 -0.000 0.000 0.244 458 A C -0.541 177.072 177.584 0.048 0.000 1.374 458 A CA -0.534 51.540 52.037 0.062 0.000 0.913 458 A CB 1.379 20.433 19.000 0.089 0.000 1.589 458 A HN 1.143 nan 8.150 nan 0.000 0.485 459 V N 1.470 121.413 119.914 0.048 0.000 2.340 459 V HA 0.306 4.426 4.120 -0.000 0.000 0.277 459 V C -0.817 175.305 176.094 0.046 0.000 1.017 459 V CA -0.384 61.942 62.300 0.043 0.000 0.820 459 V CB 1.142 32.987 31.823 0.036 0.000 1.028 459 V HN 0.790 nan 8.190 nan 0.000 0.436 460 Q N 3.875 123.705 119.800 0.050 0.000 2.290 460 Q HA 0.439 4.779 4.340 -0.000 0.000 0.259 460 Q C -0.285 175.740 176.000 0.042 0.000 0.941 460 Q CA -0.311 55.522 55.803 0.049 0.000 0.912 460 Q CB 2.030 30.804 28.738 0.059 0.000 1.244 460 Q HN 0.656 nan 8.270 nan 0.000 0.441 461 Q N 1.599 121.420 119.800 0.036 0.000 2.179 461 Q HA 0.101 4.441 4.340 -0.000 0.000 0.244 461 Q C 1.122 177.141 176.000 0.031 0.000 0.808 461 Q CA 0.206 56.028 55.803 0.032 0.000 0.955 461 Q CB 0.725 29.479 28.738 0.027 0.000 1.141 461 Q HN 0.604 nan 8.270 nan 0.000 0.485 462 S N 0.004 115.723 115.700 0.031 0.000 2.395 462 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 462 S C 0.908 175.528 174.600 0.032 0.000 1.027 462 S CA 0.249 58.466 58.200 0.029 0.000 0.965 462 S CB 0.311 63.527 63.200 0.027 0.000 0.812 462 S HN 0.097 nan 8.310 nan 0.000 0.482 463 I N 2.968 123.560 120.570 0.036 0.000 2.353 463 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 463 I C 0.248 176.391 176.117 0.043 0.000 0.992 463 I CA -1.024 60.299 61.300 0.038 0.000 1.268 463 I CB 0.905 38.929 38.000 0.040 0.000 1.387 463 I HN 0.211 nan 8.210 nan 0.000 0.478 464 D N 4.006 124.434 120.400 0.047 0.000 2.531 464 D HA -0.093 4.547 4.640 -0.000 0.000 0.239 464 D C 1.262 177.593 176.300 0.052 0.000 1.144 464 D CA 0.297 54.330 54.000 0.056 0.000 0.869 464 D CB 1.091 41.929 40.800 0.064 0.000 1.160 464 D HN 0.672 nan 8.370 nan 0.000 0.484 465 S N 4.263 119.996 115.700 0.054 0.000 2.447 465 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 465 S C 1.632 176.258 174.600 0.042 0.000 1.006 465 S CA 0.516 58.745 58.200 0.049 0.000 0.957 465 S CB 0.004 63.232 63.200 0.046 0.000 0.773 465 S HN 0.542 nan 8.310 nan 0.000 0.507 466 R N 0.484 121.008 120.500 0.040 0.000 2.241 466 R HA 0.184 4.524 4.340 -0.000 0.000 0.224 466 R C 1.750 178.058 176.300 0.012 0.000 1.101 466 R CA 1.082 57.191 56.100 0.014 0.000 0.995 466 R CB -0.465 29.826 30.300 -0.015 0.000 0.870 466 R HN 0.462 nan 8.270 nan 0.000 0.463 467 L N 0.273 121.513 121.223 0.028 0.000 2.446 467 L HA 0.130 4.470 4.340 -0.000 0.000 0.219 467 L C 0.703 177.604 176.870 0.052 0.000 1.116 467 L CA 0.147 55.008 54.840 0.034 0.000 0.844 467 L CB 0.153 42.234 42.059 0.037 0.000 0.970 467 L HN 0.063 nan 8.230 nan 0.000 0.457 468 I N 0.490 121.093 120.570 0.054 0.000 2.365 468 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 468 I C -0.578 175.581 176.117 0.070 0.000 1.004 468 I CA -0.285 61.059 61.300 0.073 0.000 1.311 468 I CB 1.555 39.596 38.000 0.069 0.000 1.401 468 I HN -0.271 nan 8.210 nan 0.000 0.491 469 V N 5.330 125.309 119.914 0.109 0.000 2.588 469 V HA 0.325 4.445 4.120 -0.000 0.000 0.304 469 V C -0.685 175.467 176.094 0.097 0.000 1.042 469 V CA -0.829 61.503 62.300 0.054 0.000 0.877 469 V CB 2.064 33.905 31.823 0.031 0.000 0.996 469 V HN 0.583 nan 8.190 nan 0.000 0.425 470 D N 2.824 123.235 120.400 0.018 0.000 2.175 470 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 470 D C -1.013 175.311 176.300 0.040 0.000 1.047 470 D CA 0.036 54.140 54.000 0.174 0.000 0.883 470 D CB 1.473 42.415 40.800 0.237 0.000 1.180 470 D HN 0.452 nan 8.370 nan 0.000 0.438 471 W N 1.407 122.818 121.300 0.186 0.000 2.619 471 W HA 0.457 5.117 4.660 0.000 0.000 0.327 471 W C 0.203 176.860 176.519 0.229 0.000 1.027 471 W CA -0.863 56.598 57.345 0.193 0.000 1.233 471 W CB 1.308 30.768 29.460 0.000 0.000 1.370 471 W HN -0.079 nan 8.180 nan 0.000 0.453 472 R N 2.870 123.670 120.500 0.501 0.000 2.483 472 R HA 0.519 4.859 4.340 -0.000 0.000 0.303 472 R C -1.629 174.901 176.300 0.383 0.000 0.987 472 R CA -0.863 55.389 56.100 0.254 0.000 0.881 472 R CB 1.657 32.034 30.300 0.129 0.000 1.177 472 R HN 0.189 nan 8.270 nan 0.000 0.451 473 F N 3.184 123.015 119.950 -0.199 0.000 2.482 473 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 473 F C -0.479 175.228 175.800 -0.156 0.000 1.115 473 F CA -1.341 56.643 58.000 -0.027 0.000 0.955 473 F CB 1.166 40.087 39.000 -0.133 0.000 1.136 473 F HN 0.299 nan 8.300 nan 0.000 0.452 474 F N 1.390 121.522 119.950 0.304 0.000 2.477 474 F HA 0.668 5.194 4.527 -0.000 0.000 0.335 474 F C 0.614 176.622 175.800 0.346 0.000 1.130 474 F CA -1.185 56.992 58.000 0.295 0.000 0.948 474 F CB 1.590 40.816 39.000 0.377 0.000 1.154 474 F HN 0.518 nan 8.300 nan 0.000 0.439 475 G N 2.074 111.119 108.800 0.408 0.000 2.462 475 G HA2 0.638 4.598 3.960 -0.000 0.000 0.319 475 G HA3 0.638 4.598 3.960 -0.000 0.000 0.319 475 G C -0.841 174.250 174.900 0.318 0.000 1.171 475 G CA -1.066 44.262 45.100 0.381 0.000 0.920 475 G HN 0.701 nan 8.290 nan 0.000 0.499 476 R N -0.787 119.896 120.500 0.305 0.000 2.457 476 R HA 0.655 4.995 4.340 -0.000 0.000 0.284 476 R C -0.980 175.416 176.300 0.160 0.000 1.024 476 R CA -0.554 55.644 56.100 0.163 0.000 1.025 476 R CB 1.224 31.623 30.300 0.166 0.000 1.063 476 R HN 0.258 nan 8.270 nan 0.000 0.493 477 T N 2.392 117.005 114.554 0.099 0.000 2.809 477 T HA 0.154 4.504 4.350 -0.000 0.000 0.284 477 T C -0.814 173.959 174.700 0.122 0.000 0.992 477 T CA -0.728 61.477 62.100 0.176 0.000 0.957 477 T CB 1.160 70.191 68.868 0.271 0.000 0.942 477 T HN 0.578 nan 8.240 nan 0.000 0.439 478 E N 4.829 125.106 120.200 0.128 0.000 2.417 478 E HA 0.100 4.450 4.350 -0.000 0.000 0.261 478 E C -2.119 174.554 176.600 0.123 0.000 1.000 478 E CA -1.404 55.062 56.400 0.111 0.000 0.919 478 E CB 0.247 30.005 29.700 0.096 0.000 0.955 478 E HN 0.317 nan 8.360 nan 0.000 0.455 479 P HA 0.034 nan 4.420 nan 0.000 0.271 479 P C -0.863 176.588 177.300 0.251 0.000 1.226 479 P CA 0.175 63.406 63.100 0.218 0.000 0.765 479 P CB 0.651 32.496 31.700 0.242 0.000 0.835 480 K N 2.771 123.274 120.400 0.172 0.000 2.427 480 K HA 0.182 4.502 4.320 -0.000 0.000 0.252 480 K C 0.972 177.419 176.600 -0.255 0.000 0.931 480 K CA -0.765 55.548 56.287 0.044 0.000 0.793 480 K CB 2.356 34.834 32.500 -0.037 0.000 1.211 480 K HN 0.433 nan 8.250 nan 0.000 0.426 481 E N 2.028 121.922 120.200 -0.508 0.000 2.097 481 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 481 E C 1.094 177.429 176.600 -0.443 0.000 1.000 481 E CA 1.706 57.548 56.400 -0.931 0.000 0.804 481 E CB 0.434 29.852 29.700 -0.471 0.000 0.740 481 E HN 0.569 nan 8.360 nan 0.000 0.454 482 E N 0.345 120.399 120.200 -0.243 0.000 2.338 482 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 482 E C -0.005 176.528 176.600 -0.111 0.000 1.007 482 E CA 0.409 56.721 56.400 -0.147 0.000 0.849 482 E CB -0.278 29.353 29.700 -0.115 0.000 0.774 482 E HN 0.073 nan 8.360 nan 0.000 0.506 483 N N 1.986 120.611 118.700 -0.125 0.000 2.406 483 N HA 0.179 4.919 4.740 -0.000 0.000 0.251 483 N C -0.876 174.691 175.510 0.097 0.000 1.069 483 N CA 0.121 53.156 53.050 -0.025 0.000 0.947 483 N CB 1.051 39.495 38.487 -0.072 0.000 1.111 483 N HN 0.110 nan 8.380 nan 0.000 0.497 484 K N 1.347 121.857 120.400 0.183 0.000 2.422 484 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 484 K C -1.122 175.628 176.600 0.251 0.000 0.933 484 K CA -0.910 55.504 56.287 0.211 0.000 0.798 484 K CB 2.435 35.067 32.500 0.220 0.000 1.238 484 K HN 0.185 nan 8.250 nan 0.000 0.428 485 L N 4.544 125.863 121.223 0.159 0.000 2.298 485 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 485 L C -1.240 175.565 176.870 -0.109 0.000 1.013 485 L CA -0.076 54.690 54.840 -0.123 0.000 0.824 485 L CB 0.442 42.449 42.059 -0.086 0.000 1.221 485 L HN 0.675 nan 8.230 nan 0.000 0.418 486 W N 3.741 124.752 121.300 -0.483 0.000 3.017 486 W HA 0.642 5.302 4.660 -0.000 0.000 0.341 486 W C -2.192 173.838 176.519 -0.816 0.000 1.180 486 W CA -1.292 55.819 57.345 -0.390 0.000 1.097 486 W CB 0.871 30.259 29.460 -0.121 0.000 1.468 486 W HN 0.323 nan 8.180 nan 0.000 0.584 487 F N 1.551 121.670 119.950 0.282 0.000 2.529 487 F HA 0.345 4.872 4.527 0.000 0.000 0.320 487 F C 0.785 176.755 175.800 0.283 0.000 1.118 487 F CA -0.922 57.140 58.000 0.104 0.000 0.915 487 F CB 2.101 41.144 39.000 0.071 0.000 1.161 487 F HN 0.284 nan 8.300 nan 0.000 0.445 488 S N 0.952 116.800 115.700 0.248 0.000 2.572 488 S HA 0.063 4.533 4.470 -0.000 0.000 0.279 488 S C 0.707 175.457 174.600 0.251 0.000 1.341 488 S CA -0.438 57.944 58.200 0.302 0.000 1.043 488 S CB 0.413 63.695 63.200 0.137 0.000 0.887 488 S HN 0.696 nan 8.310 nan 0.000 0.516 489 D N 1.968 122.499 120.400 0.219 0.000 2.339 489 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 489 D C 0.871 177.234 176.300 0.105 0.000 1.050 489 D CA 0.127 54.212 54.000 0.142 0.000 0.856 489 D CB 0.222 41.086 40.800 0.108 0.000 0.922 489 D HN 0.449 nan 8.370 nan 0.000 0.518 490 K N -0.322 120.144 120.400 0.110 0.000 2.485 490 K HA 0.228 4.548 4.320 -0.000 0.000 0.200 490 K C 0.011 176.653 176.600 0.070 0.000 1.352 490 K CA 0.088 56.423 56.287 0.081 0.000 0.953 490 K CB 0.433 32.981 32.500 0.080 0.000 1.387 490 K HN -0.066 nan 8.250 nan 0.000 0.512 491 I N 3.043 123.658 120.570 0.075 0.000 2.519 491 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 491 I C 0.235 176.388 176.117 0.060 0.000 1.047 491 I CA -0.192 61.141 61.300 0.055 0.000 1.381 491 I CB 0.808 38.829 38.000 0.035 0.000 1.417 491 I HN 0.393 nan 8.210 nan 0.000 0.540 492 T N 1.239 115.824 114.554 0.051 0.000 2.916 492 T HA 0.631 4.981 4.350 -0.000 0.000 0.292 492 T C -0.387 174.348 174.700 0.058 0.000 1.055 492 T CA -0.921 61.216 62.100 0.062 0.000 1.009 492 T CB 2.359 71.258 68.868 0.052 0.000 1.118 492 T HN 0.529 nan 8.240 nan 0.000 0.497 493 D N 0.947 121.399 120.400 0.087 0.000 2.469 493 D HA 0.480 5.120 4.640 -0.000 0.000 0.278 493 D C 1.531 177.864 176.300 0.055 0.000 1.231 493 D CA -0.498 53.557 54.000 0.092 0.000 1.075 493 D CB -0.127 40.772 40.800 0.165 0.000 1.121 493 D HN 0.662 nan 8.370 nan 0.000 0.571 494 A N -1.606 121.231 122.820 0.028 0.000 2.168 494 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 494 A C 0.925 178.305 177.584 -0.340 0.000 1.152 494 A CA 0.592 52.542 52.037 -0.145 0.000 0.716 494 A CB -0.909 17.971 19.000 -0.201 0.000 0.794 494 A HN 0.520 nan 8.150 nan 0.000 0.465 495 Y N -0.507 119.818 120.300 0.042 0.000 2.625 495 Y HA 0.209 4.759 4.550 -0.000 0.000 0.285 495 Y C 0.512 176.434 175.900 0.037 0.000 1.168 495 Y CA -0.263 57.864 58.100 0.045 0.000 1.250 495 Y CB -0.682 37.797 38.460 0.032 0.000 1.130 495 Y HN 0.486 nan 8.280 nan 0.000 0.526 496 N N -0.465 118.293 118.700 0.097 0.000 2.725 496 N HA -0.184 4.555 4.740 -0.000 0.000 0.249 496 N C -0.613 174.941 175.510 0.072 0.000 1.103 496 N CA 0.485 53.570 53.050 0.058 0.000 0.707 496 N CB -0.615 37.883 38.487 0.018 0.000 1.043 496 N HN 0.206 nan 8.380 nan 0.000 0.553 497 M N -0.357 119.309 119.600 0.110 0.000 2.644 497 M HA 0.427 4.907 4.480 -0.000 0.000 0.316 497 M C -2.259 174.109 176.300 0.113 0.000 1.200 497 M CA -2.011 53.345 55.300 0.094 0.000 0.944 497 M CB 0.768 33.430 32.600 0.103 0.000 1.691 497 M HN -0.307 nan 8.290 nan 0.000 0.471 498 P HA -0.001 nan 4.420 nan 0.000 0.263 498 P C -0.651 176.809 177.300 0.266 0.000 1.195 498 P CA 0.081 63.285 63.100 0.172 0.000 0.762 498 P CB 0.197 32.007 31.700 0.182 0.000 0.799 499 Q N 7.031 126.925 119.800 0.156 0.000 2.271 499 Q HA 0.128 4.468 4.340 -0.000 0.000 0.273 499 Q C -2.216 173.736 176.000 -0.080 0.000 1.051 499 Q CA -1.695 54.144 55.803 0.060 0.000 0.901 499 Q CB -0.263 28.462 28.738 -0.020 0.000 1.174 499 Q HN 0.304 nan 8.270 nan 0.000 0.385 500 P HA 0.133 nan 4.420 nan 0.000 0.271 500 P C -1.060 175.733 177.300 -0.845 0.000 1.218 500 P CA -0.173 62.479 63.100 -0.747 0.000 0.780 500 P CB 1.110 32.454 31.700 -0.594 0.000 0.901 501 T N 2.403 116.217 114.554 -1.234 0.000 2.952 501 T HA 0.525 4.875 4.350 -0.000 0.000 0.305 501 T C -0.767 173.233 174.700 -1.166 0.000 1.064 501 T CA -0.094 61.296 62.100 -1.183 0.000 1.008 501 T CB 0.613 68.432 68.868 -1.747 0.000 1.078 501 T HN 0.057 nan 8.240 nan 0.000 0.459 502 F N 1.819 121.490 119.950 -0.465 0.000 2.458 502 F HA 0.543 5.069 4.527 -0.000 0.000 0.330 502 F C 0.480 176.237 175.800 -0.071 0.000 1.082 502 F CA -1.024 56.833 58.000 -0.238 0.000 0.995 502 F CB 1.382 40.292 39.000 -0.151 0.000 1.170 502 F HN 0.413 nan 8.300 nan 0.000 0.478 503 D N 3.340 123.911 120.400 0.285 0.000 2.404 503 D HA 0.198 4.838 4.640 -0.000 0.000 0.267 503 D C -1.753 174.673 176.300 0.210 0.000 1.194 503 D CA -0.051 54.098 54.000 0.248 0.000 0.910 503 D CB 0.223 41.192 40.800 0.282 0.000 1.090 503 D HN 0.276 nan 8.370 nan 0.000 0.511 504 F N 2.930 122.874 119.950 -0.010 0.000 2.547 504 F HA 0.578 5.105 4.527 -0.000 0.000 0.316 504 F C -0.969 174.723 175.800 -0.181 0.000 1.121 504 F CA -0.608 57.316 58.000 -0.125 0.000 0.911 504 F CB 1.385 40.248 39.000 -0.228 0.000 1.179 504 F HN -0.011 nan 8.300 nan 0.000 0.443 505 R N 4.453 124.406 120.500 -0.911 0.000 2.725 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.277 505 R C -1.606 174.048 176.300 -1.078 0.000 0.987 505 R CA -0.960 54.717 56.100 -0.706 0.000 0.901 505 R CB 1.879 31.987 30.300 -0.320 0.000 1.207 505 R HN 0.580 nan 8.270 nan 0.000 0.463 506 F N 2.689 122.401 119.950 -0.397 0.000 2.543 506 F HA 0.173 4.700 4.527 -0.000 0.000 0.375 506 F C -1.381 174.289 175.800 -0.216 0.000 1.075 506 F CA -1.161 56.695 58.000 -0.240 0.000 1.225 506 F CB -0.072 38.904 39.000 -0.040 0.000 1.099 506 F HN 0.129 nan 8.300 nan 0.000 0.561 507 P HA 0.118 nan 4.420 nan 0.000 0.268 507 P C -0.518 176.792 177.300 0.017 0.000 1.205 507 P CA -0.109 62.970 63.100 -0.036 0.000 0.771 507 P CB 0.608 32.301 31.700 -0.011 0.000 0.858 508 A N 2.980 125.796 122.820 -0.006 0.000 2.409 508 A HA 0.522 4.842 4.320 -0.000 0.000 0.246 508 A C 1.141 178.736 177.584 0.018 0.000 1.099 508 A CA 0.862 52.901 52.037 0.003 0.000 0.789 508 A CB -1.054 17.941 19.000 -0.009 0.000 1.053 508 A HN 0.822 nan 8.150 nan 0.000 0.503 509 G N -0.216 108.596 108.800 0.020 0.000 2.488 509 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 509 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 509 G C 0.986 175.912 174.900 0.045 0.000 1.209 509 G CA 0.739 45.857 45.100 0.030 0.000 0.929 509 G HN 0.995 nan 8.290 nan 0.000 0.578 510 R N -0.332 120.202 120.500 0.057 0.000 2.103 510 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 510 R C 2.823 179.179 176.300 0.094 0.000 1.142 510 R CA 2.775 58.921 56.100 0.076 0.000 0.960 510 R CB -0.837 29.511 30.300 0.081 0.000 0.858 510 R HN 0.618 nan 8.270 nan 0.000 0.439 511 T N -0.224 114.388 114.554 0.096 0.000 2.777 511 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 511 T C 1.904 176.653 174.700 0.082 0.000 1.040 511 T CA 1.634 63.806 62.100 0.120 0.000 1.141 511 T CB -0.101 68.856 68.868 0.148 0.000 0.868 511 T HN 0.255 nan 8.240 nan 0.000 0.444 512 S N 0.661 116.392 115.700 0.052 0.000 2.371 512 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 512 S C 2.025 176.628 174.600 0.004 0.000 1.029 512 S CA 0.949 59.147 58.200 -0.003 0.000 0.978 512 S CB -0.173 63.020 63.200 -0.011 0.000 0.833 512 S HN 0.482 nan 8.310 nan 0.000 0.466 513 K N 1.363 121.785 120.400 0.036 0.000 2.026 513 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 513 K C 1.893 178.545 176.600 0.086 0.000 1.048 513 K CA 1.441 57.758 56.287 0.050 0.000 0.929 513 K CB -0.137 32.398 32.500 0.058 0.000 0.713 513 K HN 0.356 nan 8.250 nan 0.000 0.439 514 E N 0.025 120.302 120.200 0.129 0.000 2.110 514 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 514 E C 1.991 178.675 176.600 0.140 0.000 0.988 514 E CA 1.017 57.551 56.400 0.223 0.000 0.804 514 E CB -0.127 29.741 29.700 0.280 0.000 0.745 514 E HN 0.459 nan 8.360 nan 0.000 0.458 515 A N 1.437 124.305 122.820 0.081 0.000 1.902 515 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 515 A C 2.092 179.730 177.584 0.090 0.000 1.181 515 A CA 1.771 53.848 52.037 0.067 0.000 0.623 515 A CB -0.373 18.619 19.000 -0.015 0.000 0.818 515 A HN 0.118 nan 8.150 nan 0.000 0.443 516 E N 0.541 120.775 120.200 0.057 0.000 2.106 516 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 516 E C 1.310 177.881 176.600 -0.047 0.000 0.984 516 E CA 1.503 57.938 56.400 0.058 0.000 0.806 516 E CB -0.328 29.384 29.700 0.019 0.000 0.750 516 E HN 0.529 nan 8.360 nan 0.000 0.458 517 D N -0.224 120.145 120.400 -0.052 0.000 2.178 517 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 517 D C 1.927 177.958 176.300 -0.448 0.000 0.980 517 D CA 1.061 55.012 54.000 -0.082 0.000 0.842 517 D CB -0.323 40.559 40.800 0.135 0.000 0.948 517 D HN 0.317 nan 8.370 nan 0.000 0.472 518 M N -0.184 118.941 119.600 -0.790 0.000 2.117 518 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 518 M C 2.069 177.930 176.300 -0.732 0.000 1.065 518 M CA 1.254 55.735 55.300 -1.365 0.000 1.114 518 M CB -0.000 32.044 32.600 -0.926 0.000 1.361 518 M HN -0.034 nan 8.290 nan 0.000 0.408 519 M N 0.340 119.640 119.600 -0.500 0.000 2.080 519 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 519 M C 1.763 177.825 176.300 -0.396 0.000 1.068 519 M CA 2.450 57.452 55.300 -0.498 0.000 1.109 519 M CB -0.922 31.442 32.600 -0.393 0.000 1.342 519 M HN 0.275 nan 8.290 nan 0.000 0.405 520 T N -0.064 114.331 114.554 -0.265 0.000 2.746 520 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 520 T C 1.486 176.093 174.700 -0.154 0.000 1.039 520 T CA 1.771 63.771 62.100 -0.167 0.000 1.142 520 T CB -0.598 68.221 68.868 -0.082 0.000 0.866 520 T HN 0.540 nan 8.240 nan 0.000 0.444 521 D N 0.549 120.856 120.400 -0.155 0.000 2.149 521 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 521 D C 2.067 178.315 176.300 -0.087 0.000 0.990 521 D CA 0.888 54.904 54.000 0.027 0.000 0.839 521 D CB -0.222 40.724 40.800 0.244 0.000 0.948 521 D HN 0.287 nan 8.370 nan 0.000 0.460 522 M N -0.543 118.739 119.600 -0.530 0.000 2.086 522 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 522 M C 2.039 178.027 176.300 -0.521 0.000 1.067 522 M CA 1.452 56.201 55.300 -0.919 0.000 1.116 522 M CB -0.179 31.671 32.600 -1.250 0.000 1.348 522 M HN 0.203 nan 8.290 nan 0.000 0.407 523 C N -0.454 118.640 119.300 -0.343 0.000 2.413 523 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 523 C C 2.662 177.556 174.990 -0.161 0.000 1.248 523 C CA 0.952 59.881 59.018 -0.149 0.000 1.742 523 C CB -1.050 26.644 27.740 -0.078 0.000 2.017 523 C HN 0.511 nan 8.230 nan 0.000 0.481 524 V N 0.471 120.315 119.914 -0.117 0.000 2.358 524 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 524 V C 2.357 178.430 176.094 -0.035 0.000 1.047 524 V CA 2.257 64.526 62.300 -0.052 0.000 1.035 524 V CB -0.615 31.224 31.823 0.028 0.000 0.658 524 V HN 0.605 nan 8.190 nan 0.000 0.452 525 M N 0.533 120.135 119.600 0.003 0.000 2.193 525 M HA -0.118 4.362 4.480 -0.000 0.000 0.265 525 M C 2.435 178.618 176.300 -0.196 0.000 1.071 525 M CA 1.965 57.346 55.300 0.134 0.000 1.140 525 M CB -0.112 32.728 32.600 0.401 0.000 1.369 525 M HN 0.529 nan 8.290 nan 0.000 0.423 526 S N 0.649 115.923 115.700 -0.711 0.000 2.399 526 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 526 S C 1.973 176.231 174.600 -0.570 0.000 1.022 526 S CA 0.967 58.370 58.200 -1.329 0.000 0.983 526 S CB -0.850 61.344 63.200 -1.677 0.000 0.803 526 S HN 0.562 nan 8.310 nan 0.000 0.480 527 A N 1.988 124.565 122.820 -0.405 0.000 2.070 527 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 527 A C 2.144 179.622 177.584 -0.177 0.000 1.159 527 A CA 1.267 53.117 52.037 -0.312 0.000 0.656 527 A CB -0.529 18.305 19.000 -0.278 0.000 0.800 527 A HN 0.626 nan 8.150 nan 0.000 0.453 528 K N -0.600 119.736 120.400 -0.107 0.000 2.365 528 K HA 0.033 4.353 4.320 -0.000 0.000 0.199 528 K C 1.189 177.795 176.600 0.011 0.000 1.045 528 K CA 0.733 56.999 56.287 -0.036 0.000 0.962 528 K CB -0.007 32.502 32.500 0.014 0.000 0.759 528 K HN 0.409 nan 8.250 nan 0.000 0.469 529 I N -0.612 119.988 120.570 0.050 0.000 2.810 529 I HA 0.132 4.302 4.170 -0.000 0.000 0.262 529 I C 1.145 177.301 176.117 0.065 0.000 1.131 529 I CA 0.633 62.011 61.300 0.130 0.000 1.453 529 I CB -0.067 38.162 38.000 0.382 0.000 1.161 529 I HN 0.097 nan 8.210 nan 0.000 0.444 530 G N -0.647 108.146 108.800 -0.012 0.000 2.451 530 G HA2 0.478 4.438 3.960 -0.000 0.000 0.292 530 G HA3 0.478 4.438 3.960 -0.000 0.000 0.292 530 G C -0.759 174.030 174.900 -0.186 0.000 1.427 530 G CA -0.128 44.939 45.100 -0.055 0.000 0.792 530 G HN 0.280 nan 8.290 nan 0.000 0.498 531 G N -1.123 107.557 108.800 -0.201 0.000 2.528 531 G HA2 0.579 4.539 3.960 -0.000 0.000 0.289 531 G HA3 0.579 4.539 3.960 -0.000 0.000 0.289 531 G C -0.226 174.507 174.900 -0.278 0.000 1.192 531 G CA -0.604 44.278 45.100 -0.364 0.000 0.921 531 G HN 0.460 nan 8.290 nan 0.000 0.512 532 F N -0.762 119.108 119.950 -0.133 0.000 2.595 532 F HA 0.185 4.712 4.527 -0.000 0.000 0.359 532 F C 0.713 176.463 175.800 -0.083 0.000 1.147 532 F CA -0.760 57.157 58.000 -0.139 0.000 1.341 532 F CB 0.415 39.316 39.000 -0.165 0.000 1.104 532 F HN 0.166 nan 8.300 nan 0.000 0.603 533 L N 5.653 126.953 121.223 0.128 0.000 2.313 533 L HA 0.424 4.764 4.340 -0.000 0.000 0.282 533 L C -2.381 174.519 176.870 0.051 0.000 1.092 533 L CA -1.953 52.927 54.840 0.067 0.000 0.831 533 L CB 0.123 42.215 42.059 0.055 0.000 1.159 533 L HN 0.279 nan 8.230 nan 0.000 0.442 534 P HA 0.161 nan 4.420 nan 0.000 0.264 534 P C 0.674 177.987 177.300 0.022 0.000 1.183 534 P CA 1.075 64.192 63.100 0.027 0.000 0.763 534 P CB 0.590 32.305 31.700 0.025 0.000 0.807 535 G N 2.077 110.883 108.800 0.010 0.000 2.205 535 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.261 535 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.261 535 G C 0.477 175.393 174.900 0.026 0.000 0.980 535 G CA 0.323 45.435 45.100 0.020 0.000 0.632 535 G HN 0.537 nan 8.290 nan 0.000 0.533 536 S N 0.600 116.292 115.700 -0.015 0.000 2.474 536 S HA 0.518 4.987 4.470 -0.000 0.000 0.224 536 S C 0.445 174.902 174.600 -0.238 0.000 1.209 536 S CA -0.557 57.597 58.200 -0.076 0.000 1.212 536 S CB 0.305 63.463 63.200 -0.070 0.000 1.137 536 S HN 0.467 nan 8.310 nan 0.000 0.446 537 L N 2.447 123.532 121.223 -0.229 0.000 2.466 537 L HA 0.378 4.718 4.340 -0.000 0.000 0.257 537 L C -2.061 174.490 176.870 -0.532 0.000 1.189 537 L CA -2.273 52.315 54.840 -0.421 0.000 0.813 537 L CB -0.052 41.826 42.059 -0.301 0.000 1.118 537 L HN 0.076 nan 8.230 nan 0.000 0.471 538 P HA 0.021 nan 4.420 nan 0.000 0.264 538 P C -1.462 175.573 177.300 -0.442 0.000 1.193 538 P CA 0.068 62.767 63.100 -0.669 0.000 0.763 538 P CB 0.484 31.707 31.700 -0.795 0.000 0.810 539 Q N 1.606 121.177 119.800 -0.381 0.000 2.482 539 Q HA 0.495 4.835 4.340 -0.000 0.000 0.286 539 Q C -1.338 174.456 176.000 -0.344 0.000 1.007 539 Q CA -0.904 54.744 55.803 -0.259 0.000 0.801 539 Q CB 0.791 29.454 28.738 -0.125 0.000 1.455 539 Q HN 0.106 nan 8.270 nan 0.000 0.398 540 F N 1.388 121.234 119.950 -0.175 0.000 2.412 540 F HA 0.306 4.833 4.527 -0.000 0.000 0.348 540 F C 0.498 176.190 175.800 -0.180 0.000 1.102 540 F CA -0.315 57.573 58.000 -0.187 0.000 1.196 540 F CB 0.949 39.838 39.000 -0.185 0.000 1.144 540 F HN 0.378 nan 8.300 nan 0.000 0.541 541 M N 1.620 121.180 119.600 -0.068 0.000 2.288 541 M HA 0.195 4.675 4.480 -0.000 0.000 0.334 541 M C 0.000 176.243 176.300 -0.096 0.000 1.150 541 M CA -1.039 54.146 55.300 -0.191 0.000 1.118 541 M CB 0.565 32.912 32.600 -0.423 0.000 1.501 541 M HN 0.425 nan 8.290 nan 0.000 0.462 542 E N 2.479 122.604 120.200 -0.125 0.000 2.608 542 E HA 0.052 4.402 4.350 -0.000 0.000 0.259 542 E C -2.224 174.346 176.600 -0.050 0.000 0.951 542 E CA -0.740 55.618 56.400 -0.069 0.000 0.945 542 E CB -0.496 29.153 29.700 -0.085 0.000 0.916 542 E HN 0.215 nan 8.360 nan 0.000 0.477 543 P HA 0.034 nan 4.420 nan 0.000 0.263 543 P C 0.739 177.950 177.300 -0.149 0.000 1.195 543 P CA 1.092 64.202 63.100 0.016 0.000 0.762 543 P CB 0.690 32.399 31.700 0.016 0.000 0.799 544 G N 2.689 111.398 108.800 -0.151 0.000 2.217 544 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 544 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 544 G C 0.792 175.631 174.900 -0.102 0.000 0.990 544 G CA 0.102 45.081 45.100 -0.202 0.000 0.627 544 G HN 0.503 nan 8.290 nan 0.000 0.522 545 L N 1.017 122.187 121.223 -0.089 0.000 2.189 545 L HA 0.088 4.428 4.340 -0.000 0.000 0.214 545 L C 2.824 179.692 176.870 -0.004 0.000 1.097 545 L CA 2.413 57.222 54.840 -0.052 0.000 0.764 545 L CB -0.425 41.540 42.059 -0.157 0.000 0.900 545 L HN 0.491 nan 8.230 nan 0.000 0.436 546 V N -0.419 119.461 119.914 -0.055 0.000 2.809 546 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 546 V C 1.524 177.548 176.094 -0.117 0.000 1.080 546 V CA 0.833 63.085 62.300 -0.080 0.000 1.102 546 V CB -0.241 31.535 31.823 -0.078 0.000 0.705 546 V HN 0.475 nan 8.190 nan 0.000 0.475 547 L N 0.280 121.504 121.223 0.002 0.000 3.634 547 L HA -0.247 4.093 4.340 -0.000 0.000 0.423 547 L C 0.257 177.300 176.870 0.287 0.000 1.253 547 L CA 0.890 55.800 54.840 0.117 0.000 0.885 547 L CB -2.577 39.583 42.059 0.168 0.000 1.789 547 L HN 0.568 nan 8.230 nan 0.000 0.904 548 H N -0.757 118.437 119.070 0.206 0.000 2.492 548 H HA 0.306 4.862 4.556 -0.000 0.000 0.264 548 H C 0.499 175.974 175.328 0.245 0.000 1.150 548 H CA -1.049 55.163 56.048 0.274 0.000 0.962 548 H CB 0.733 30.706 29.762 0.351 0.000 1.766 548 H HN 0.227 nan 8.280 nan 0.000 0.589 549 L N 1.915 123.290 121.223 0.253 0.000 2.540 549 L HA 0.189 4.529 4.340 -0.000 0.000 0.276 549 L C 0.582 177.593 176.870 0.233 0.000 1.212 549 L CA 0.830 55.766 54.840 0.160 0.000 0.893 549 L CB 0.322 42.433 42.059 0.086 0.000 1.138 549 L HN 0.304 nan 8.230 nan 0.000 0.491 550 G N 1.894 110.838 108.800 0.239 0.000 2.733 550 G HA2 0.532 4.492 3.960 -0.000 0.000 0.288 550 G HA3 0.532 4.492 3.960 -0.000 0.000 0.288 550 G C 0.289 175.300 174.900 0.186 0.000 1.373 550 G CA -0.326 44.947 45.100 0.288 0.000 0.895 550 G HN 1.294 nan 8.290 nan 0.000 0.479 551 G N -1.204 107.677 108.800 0.135 0.000 2.162 551 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 551 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 551 G C 1.280 176.243 174.900 0.106 0.000 0.976 551 G CA 1.634 46.812 45.100 0.131 0.000 0.655 551 G HN 1.868 nan 8.290 nan 0.000 0.533 552 T N -2.212 112.351 114.554 0.016 0.000 3.023 552 T HA 0.200 4.550 4.350 -0.000 0.000 0.266 552 T C 1.031 175.823 174.700 0.153 0.000 1.093 552 T CA 1.753 63.911 62.100 0.096 0.000 1.129 552 T CB -0.211 68.727 68.868 0.117 0.000 0.899 552 T HN 1.504 nan 8.240 nan 0.000 0.491 553 H N -0.174 118.974 119.070 0.130 0.000 2.823 553 H HA 0.448 5.004 4.556 -0.000 0.000 0.222 553 H C -0.138 175.236 175.328 0.076 0.000 1.414 553 H CA -1.347 54.752 56.048 0.086 0.000 1.289 553 H CB -0.335 29.446 29.762 0.031 0.000 1.970 553 H HN 0.333 nan 8.280 nan 0.000 0.517 554 R N 0.700 121.285 120.500 0.141 0.000 2.615 554 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 554 R C -0.352 176.008 176.300 0.100 0.000 1.081 554 R CA -0.791 55.363 56.100 0.091 0.000 1.154 554 R CB 1.057 31.405 30.300 0.081 0.000 1.063 554 R HN 0.471 nan 8.270 nan 0.000 0.519 555 M N 1.193 120.828 119.600 0.059 0.000 2.314 555 M HA 0.477 4.957 4.480 -0.000 0.000 0.342 555 M C -0.626 175.670 176.300 -0.006 0.000 1.171 555 M CA 0.131 55.441 55.300 0.018 0.000 1.098 555 M CB 1.698 34.281 32.600 -0.029 0.000 1.559 555 M HN 0.936 nan 8.290 nan 0.000 0.459 556 G N 2.245 111.047 108.800 0.003 0.000 2.559 556 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 556 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 556 G C -0.897 174.002 174.900 -0.002 0.000 1.424 556 G CA -0.720 44.345 45.100 -0.059 0.000 0.786 556 G HN 0.708 nan 8.290 nan 0.000 0.485 557 F N -0.083 119.960 119.950 0.154 0.000 2.206 557 F HA 0.230 4.757 4.527 -0.000 0.000 0.298 557 F C 1.148 177.073 175.800 0.208 0.000 1.090 557 F CA 1.197 59.295 58.000 0.163 0.000 1.323 557 F CB 0.374 39.428 39.000 0.090 0.000 1.028 557 F HN 0.382 nan 8.300 nan 0.000 0.492 558 D N -0.922 119.634 120.400 0.259 0.000 2.629 558 D HA 0.131 4.771 4.640 -0.000 0.000 0.250 558 D C 0.705 176.854 176.300 -0.252 0.000 1.126 558 D CA -0.283 53.718 54.000 0.001 0.000 0.852 558 D CB 1.400 42.214 40.800 0.023 0.000 1.335 558 D HN 0.099 nan 8.370 nan 0.000 0.518 559 E N 3.134 122.877 120.200 -0.762 0.000 2.058 559 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 559 E C 1.331 177.752 176.600 -0.298 0.000 0.997 559 E CA 1.254 57.178 56.400 -0.792 0.000 0.801 559 E CB 0.255 29.325 29.700 -1.050 0.000 0.746 559 E HN 0.427 nan 8.360 nan 0.000 0.450 560 K N 0.050 120.321 120.400 -0.216 0.000 2.044 560 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 560 K C 2.123 178.688 176.600 -0.059 0.000 1.049 560 K CA 1.207 57.435 56.287 -0.100 0.000 0.945 560 K CB 0.099 32.557 32.500 -0.070 0.000 0.724 560 K HN 0.087 nan 8.250 nan 0.000 0.440 561 E N 0.331 120.500 120.200 -0.051 0.000 2.107 561 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 561 E C 0.560 177.156 176.600 -0.007 0.000 0.982 561 E CA 0.970 57.362 56.400 -0.013 0.000 0.809 561 E CB 0.175 29.879 29.700 0.007 0.000 0.756 561 E HN 0.398 nan 8.360 nan 0.000 0.459 562 D N 0.395 120.787 120.400 -0.013 0.000 2.368 562 D HA 0.039 4.679 4.640 -0.000 0.000 0.218 562 D C -0.618 175.622 176.300 -0.100 0.000 1.112 562 D CA -0.085 53.905 54.000 -0.018 0.000 0.834 562 D CB 0.013 40.844 40.800 0.051 0.000 0.953 562 D HN 0.060 nan 8.370 nan 0.000 0.505 563 N N 0.864 119.500 118.700 -0.107 0.000 2.650 563 N HA -0.201 4.539 4.740 -0.000 0.000 0.272 563 N C -0.075 175.368 175.510 -0.111 0.000 1.058 563 N CA 0.637 53.608 53.050 -0.131 0.000 0.765 563 N CB -1.546 36.775 38.487 -0.277 0.000 0.902 563 N HN 0.420 nan 8.380 nan 0.000 0.551 564 C N -3.328 115.969 119.300 -0.005 0.000 3.235 564 C HA 0.816 5.276 4.460 -0.000 0.000 0.351 564 C C 1.311 176.442 174.990 0.235 0.000 1.520 564 C CA -0.557 58.527 59.018 0.110 0.000 1.474 564 C CB 1.607 29.441 27.740 0.156 0.000 2.019 564 C HN 0.538 nan 8.230 nan 0.000 0.446 565 C N -0.003 119.485 119.300 0.313 0.000 3.836 565 C HA 0.510 4.970 4.460 -0.000 0.000 0.470 565 C C 0.400 175.502 174.990 0.187 0.000 1.496 565 C CA 0.544 59.739 59.018 0.295 0.000 2.135 565 C CB -0.359 27.487 27.740 0.177 0.000 3.162 565 C HN 0.966 nan 8.230 nan 0.000 0.666 566 V N 1.214 121.168 119.914 0.067 0.000 3.007 566 V HA 0.724 4.844 4.120 -0.000 0.000 0.311 566 V C -0.951 174.900 176.094 -0.406 0.000 1.120 566 V CA -0.586 61.540 62.300 -0.291 0.000 0.980 566 V CB 1.635 33.372 31.823 -0.144 0.000 1.033 566 V HN 0.364 nan 8.190 nan 0.000 0.429 567 N N 0.947 119.223 118.700 -0.707 0.000 2.476 567 N HA 0.261 5.001 4.740 -0.000 0.000 0.287 567 N C 1.146 176.499 175.510 -0.261 0.000 1.262 567 N CA 0.202 52.996 53.050 -0.426 0.000 0.980 567 N CB 0.254 38.448 38.487 -0.489 0.000 1.163 567 N HN 0.993 nan 8.380 nan 0.000 0.592 568 T N -4.291 110.138 114.554 -0.209 0.000 3.077 568 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 568 T C 0.061 174.661 174.700 -0.166 0.000 1.146 568 T CA 0.856 62.834 62.100 -0.203 0.000 1.091 568 T CB -0.463 68.286 68.868 -0.198 0.000 0.892 568 T HN 0.457 nan 8.240 nan 0.000 0.533 569 D N 0.678 120.969 120.400 -0.181 0.000 2.340 569 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 569 D C 0.630 176.914 176.300 -0.027 0.000 1.081 569 D CA 0.130 54.043 54.000 -0.145 0.000 0.842 569 D CB 0.153 40.729 40.800 -0.373 0.000 0.934 569 D HN 0.351 nan 8.370 nan 0.000 0.511 570 S N 0.289 115.942 115.700 -0.078 0.000 3.561 570 S HA -0.253 4.217 4.470 -0.000 0.000 0.318 570 S C 0.530 175.085 174.600 -0.075 0.000 1.181 570 S CA 0.417 58.609 58.200 -0.014 0.000 0.916 570 S CB -1.297 61.978 63.200 0.126 0.000 0.966 570 S HN 0.449 nan 8.310 nan 0.000 0.550 571 R N 1.116 121.427 120.500 -0.315 0.000 2.308 571 R HA 0.469 4.809 4.340 -0.000 0.000 0.305 571 R C -0.010 175.947 176.300 -0.572 0.000 1.053 571 R CA -0.412 55.290 56.100 -0.663 0.000 0.957 571 R CB 0.684 30.541 30.300 -0.738 0.000 1.022 571 R HN 0.138 nan 8.270 nan 0.000 0.461 572 V N 5.997 125.622 119.914 -0.482 0.000 2.585 572 V HA 0.007 4.127 4.120 -0.000 0.000 0.296 572 V C 0.192 176.214 176.094 -0.120 0.000 1.035 572 V CA 0.225 62.344 62.300 -0.301 0.000 1.084 572 V CB -0.002 31.631 31.823 -0.318 0.000 0.953 572 V HN 0.567 nan 8.190 nan 0.000 0.483 573 F N 3.735 123.711 119.950 0.043 0.000 2.608 573 F HA 0.417 4.944 4.527 0.000 0.000 0.380 573 F C 1.558 177.477 175.800 0.198 0.000 1.083 573 F CA 1.482 59.534 58.000 0.086 0.000 1.266 573 F CB 0.153 39.197 39.000 0.073 0.000 1.076 573 F HN 0.796 nan 8.300 nan 0.000 0.574 574 G N 2.386 111.346 108.800 0.268 0.000 2.253 574 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 574 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 574 G C -0.058 174.708 174.900 -0.222 0.000 0.998 574 G CA -0.415 44.717 45.100 0.053 0.000 0.621 574 G HN 0.426 nan 8.290 nan 0.000 0.524 575 F N 1.057 121.018 119.950 0.018 0.000 2.415 575 F HA 0.598 5.125 4.527 -0.000 0.000 0.348 575 F C 1.393 177.167 175.800 -0.043 0.000 1.119 575 F CA -0.992 57.005 58.000 -0.006 0.000 1.069 575 F CB 1.610 40.605 39.000 -0.009 0.000 1.124 575 F HN -0.242 nan 8.300 nan 0.000 0.472 576 K N 1.826 122.290 120.400 0.108 0.000 2.217 576 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 576 K C 0.784 177.569 176.600 0.308 0.000 1.051 576 K CA 0.937 57.326 56.287 0.170 0.000 0.952 576 K CB 0.001 32.606 32.500 0.174 0.000 0.736 576 K HN 0.683 nan 8.250 nan 0.000 0.453 577 N N -0.166 118.702 118.700 0.281 0.000 2.307 577 N HA 0.006 4.746 4.740 -0.000 0.000 0.248 577 N C -0.689 174.976 175.510 0.257 0.000 1.322 577 N CA -0.338 52.960 53.050 0.412 0.000 0.861 577 N CB -0.162 38.627 38.487 0.503 0.000 1.303 577 N HN -0.083 nan 8.380 nan 0.000 0.498 578 L N 0.982 122.169 121.223 -0.060 0.000 2.305 578 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 578 L C -1.616 174.956 176.870 -0.496 0.000 1.013 578 L CA -0.576 54.182 54.840 -0.137 0.000 0.819 578 L CB 0.539 42.473 42.059 -0.209 0.000 1.227 578 L HN -0.033 nan 8.230 nan 0.000 0.417 579 F N 4.852 124.728 119.950 -0.123 0.000 2.577 579 F HA 0.707 5.234 4.527 -0.000 0.000 0.318 579 F C -0.559 175.105 175.800 -0.226 0.000 1.065 579 F CA -0.740 57.170 58.000 -0.150 0.000 0.929 579 F CB 1.741 40.691 39.000 -0.082 0.000 1.237 579 F HN 0.196 nan 8.300 nan 0.000 0.468 580 L N 1.296 122.499 121.223 -0.034 0.000 2.381 580 L HA 0.919 5.259 4.340 -0.000 0.000 0.268 580 L C -0.137 176.749 176.870 0.027 0.000 0.997 580 L CA -0.822 53.922 54.840 -0.161 0.000 0.818 580 L CB 2.121 43.919 42.059 -0.435 0.000 1.310 580 L HN 0.777 nan 8.230 nan 0.000 0.416 581 G N 0.142 108.971 108.800 0.048 0.000 2.571 581 G HA2 0.812 4.771 3.960 -0.000 0.000 0.304 581 G HA3 0.812 4.771 3.960 -0.000 0.000 0.304 581 G C -0.625 174.395 174.900 0.200 0.000 1.314 581 G CA -0.316 44.911 45.100 0.213 0.000 0.975 581 G HN 0.978 nan 8.290 nan 0.000 0.485 582 G N -1.259 107.656 108.800 0.191 0.000 2.353 582 G HA2 0.135 4.095 3.960 -0.000 0.000 0.424 582 G HA3 0.135 4.095 3.960 -0.000 0.000 0.424 582 G C 0.717 175.677 174.900 0.099 0.000 1.320 582 G CA 0.102 45.292 45.100 0.150 0.000 0.995 582 G HN 1.184 nan 8.290 nan 0.000 0.580 583 C N 0.470 119.812 119.300 0.069 0.000 2.432 583 C HA 0.227 4.687 4.460 -0.000 0.000 0.282 583 C C 2.978 177.960 174.990 -0.014 0.000 1.388 583 C CA 1.670 60.708 59.018 0.034 0.000 1.777 583 C CB -1.237 26.557 27.740 0.090 0.000 1.882 583 C HN 1.249 nan 8.230 nan 0.000 0.520 584 G N 1.141 109.849 108.800 -0.155 0.000 2.498 584 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 584 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 584 G C 1.409 175.963 174.900 -0.577 0.000 1.119 584 G CA 0.563 45.339 45.100 -0.540 0.000 0.766 584 G HN 0.546 nan 8.290 nan 0.000 0.552 585 N N 0.348 118.919 118.700 -0.215 0.000 2.309 585 N HA 0.009 4.749 4.740 -0.000 0.000 0.182 585 N C 0.892 176.418 175.510 0.026 0.000 1.018 585 N CA 0.228 53.286 53.050 0.013 0.000 0.876 585 N CB 0.067 38.612 38.487 0.098 0.000 0.972 585 N HN 0.300 nan 8.380 nan 0.000 0.434 586 I N 3.010 123.599 120.570 0.031 0.000 2.452 586 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 586 I C -1.365 174.850 176.117 0.164 0.000 1.079 586 I CA -1.057 60.292 61.300 0.081 0.000 1.387 586 I CB 1.421 39.421 38.000 -0.000 0.000 1.404 586 I HN -0.069 nan 8.210 nan 0.000 0.522 587 P HA 0.071 nan 4.420 nan 0.000 0.267 587 P C 0.195 177.590 177.300 0.158 0.000 1.289 587 P CA 0.232 63.409 63.100 0.129 0.000 0.866 587 P CB 0.276 32.013 31.700 0.061 0.000 1.309 588 T N -2.532 112.154 114.554 0.220 0.000 2.922 588 T HA 0.717 5.067 4.350 -0.000 0.000 0.281 588 T C -0.001 174.831 174.700 0.221 0.000 1.005 588 T CA -0.943 61.269 62.100 0.187 0.000 0.982 588 T CB 1.263 70.224 68.868 0.155 0.000 1.158 588 T HN 0.026 nan 8.240 nan 0.000 0.566 589 A N 1.594 124.477 122.820 0.105 0.000 2.310 589 A HA 0.626 4.946 4.320 -0.000 0.000 0.300 589 A C -0.733 176.809 177.584 -0.069 0.000 1.269 589 A CA -0.849 51.190 52.037 0.003 0.000 0.909 589 A CB -0.891 18.133 19.000 0.040 0.000 1.144 589 A HN 0.847 nan 8.150 nan 0.000 0.540 590 Y N -0.365 119.849 120.300 -0.144 0.000 2.499 590 Y HA 0.719 5.269 4.550 -0.000 0.000 0.347 590 Y C 0.748 176.496 175.900 -0.254 0.000 0.987 590 Y CA -0.712 57.112 58.100 -0.459 0.000 1.044 590 Y CB 1.490 39.521 38.460 -0.716 0.000 1.245 590 Y HN 0.382 nan 8.280 nan 0.000 0.461 591 G N 0.488 109.161 108.800 -0.212 0.000 2.743 591 G HA2 0.405 4.365 3.960 -0.000 0.000 0.206 591 G HA3 0.405 4.365 3.960 -0.000 0.000 0.206 591 G C 0.432 175.389 174.900 0.096 0.000 1.115 591 G CA 0.200 45.379 45.100 0.131 0.000 0.782 591 G HN 0.945 nan 8.290 nan 0.000 0.524 592 A N 0.719 123.390 122.820 -0.249 0.000 2.327 592 A HA 0.495 4.815 4.320 -0.000 0.000 0.255 592 A C -0.047 177.425 177.584 -0.187 0.000 1.099 592 A CA -0.505 51.283 52.037 -0.414 0.000 0.801 592 A CB 0.065 18.835 19.000 -0.382 0.000 1.062 592 A HN 0.343 nan 8.150 nan 0.000 0.496 593 N N 1.505 119.973 118.700 -0.386 0.000 2.483 593 N HA 0.234 4.974 4.740 -0.000 0.000 0.264 593 N C -2.028 173.402 175.510 -0.133 0.000 1.197 593 N CA -0.805 52.002 53.050 -0.405 0.000 0.927 593 N CB 0.472 38.793 38.487 -0.277 0.000 1.065 593 N HN 0.393 nan 8.380 nan 0.000 0.461 594 P HA -0.006 nan 4.420 nan 0.000 0.240 594 P C 0.482 177.696 177.300 -0.143 0.000 1.190 594 P CA 0.710 63.732 63.100 -0.130 0.000 0.781 594 P CB 0.319 31.936 31.700 -0.138 0.000 0.931 595 T N 0.701 115.245 114.554 -0.017 0.000 2.867 595 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 595 T C 1.749 176.537 174.700 0.146 0.000 1.057 595 T CA 0.792 62.941 62.100 0.081 0.000 1.136 595 T CB -0.701 68.250 68.868 0.138 0.000 0.874 595 T HN 0.016 nan 8.240 nan 0.000 0.466 596 L N 1.050 122.352 121.223 0.132 0.000 2.056 596 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 596 L C 2.519 179.467 176.870 0.130 0.000 1.078 596 L CA 1.640 56.611 54.840 0.218 0.000 0.749 596 L CB -0.939 41.218 42.059 0.163 0.000 0.901 596 L HN 0.151 nan 8.230 nan 0.000 0.433 597 T N -0.305 114.190 114.554 -0.098 0.000 2.746 597 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 597 T C 1.903 176.541 174.700 -0.103 0.000 1.039 597 T CA 1.252 63.224 62.100 -0.213 0.000 1.142 597 T CB -0.466 67.891 68.868 -0.852 0.000 0.866 597 T HN 0.522 nan 8.240 nan 0.000 0.444 598 A N 1.467 124.233 122.820 -0.091 0.000 1.902 598 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 598 A C 2.301 179.876 177.584 -0.014 0.000 1.181 598 A CA 1.780 53.801 52.037 -0.027 0.000 0.623 598 A CB -0.716 18.287 19.000 0.005 0.000 0.818 598 A HN 0.531 nan 8.150 nan 0.000 0.443 599 M N -0.482 119.122 119.600 0.006 0.000 2.159 599 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 599 M C 2.023 178.265 176.300 -0.096 0.000 1.063 599 M CA 1.985 57.267 55.300 -0.031 0.000 1.110 599 M CB -0.102 32.497 32.600 -0.000 0.000 1.374 599 M HN 0.358 nan 8.290 nan 0.000 0.411 600 S N 0.990 116.638 115.700 -0.086 0.000 2.383 600 S HA -0.041 4.429 4.470 -0.000 0.000 0.227 600 S C 1.712 176.154 174.600 -0.264 0.000 1.026 600 S CA 1.121 59.209 58.200 -0.187 0.000 0.981 600 S CB -0.368 62.694 63.200 -0.230 0.000 0.818 600 S HN 0.501 nan 8.310 nan 0.000 0.472 601 L N 1.224 122.326 121.223 -0.202 0.000 2.046 601 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 601 L C 2.764 179.519 176.870 -0.192 0.000 1.077 601 L CA 1.233 55.948 54.840 -0.207 0.000 0.747 601 L CB -0.728 41.266 42.059 -0.107 0.000 0.896 601 L HN 0.298 nan 8.230 nan 0.000 0.432 602 A N 0.159 122.871 122.820 -0.179 0.000 1.972 602 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 602 A C 2.242 179.551 177.584 -0.460 0.000 1.169 602 A CA 1.394 53.227 52.037 -0.340 0.000 0.635 602 A CB -0.638 18.166 19.000 -0.327 0.000 0.810 602 A HN 0.366 nan 8.150 nan 0.000 0.446 603 I N -0.581 119.802 120.570 -0.312 0.000 2.252 603 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 603 I C 2.495 178.465 176.117 -0.245 0.000 1.102 603 I CA 1.824 62.961 61.300 -0.271 0.000 1.385 603 I CB -0.166 37.688 38.000 -0.243 0.000 1.064 603 I HN 0.399 nan 8.210 nan 0.000 0.414 604 K N 0.549 120.802 120.400 -0.245 0.000 2.026 604 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 604 K C 2.339 178.864 176.600 -0.126 0.000 1.048 604 K CA 1.890 58.060 56.287 -0.195 0.000 0.929 604 K CB -0.213 32.139 32.500 -0.247 0.000 0.713 604 K HN 0.094 nan 8.250 nan 0.000 0.439 605 S N 0.029 115.638 115.700 -0.151 0.000 2.372 605 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 605 S C 2.067 176.579 174.600 -0.148 0.000 1.044 605 S CA 1.665 59.811 58.200 -0.091 0.000 1.050 605 S CB -0.634 62.531 63.200 -0.059 0.000 0.901 605 S HN 0.600 nan 8.310 nan 0.000 0.447 606 C N 1.416 120.531 119.300 -0.307 0.000 2.425 606 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 606 C C 2.511 177.427 174.990 -0.123 0.000 1.280 606 C CA 0.721 59.576 59.018 -0.271 0.000 1.744 606 C CB -1.491 26.050 27.740 -0.332 0.000 1.989 606 C HN 0.681 nan 8.230 nan 0.000 0.491 607 E N -0.600 119.550 120.200 -0.084 0.000 2.110 607 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 607 E C 1.839 178.449 176.600 0.018 0.000 0.988 607 E CA 1.498 57.879 56.400 -0.032 0.000 0.804 607 E CB -0.312 29.364 29.700 -0.041 0.000 0.745 607 E HN 0.845 nan 8.360 nan 0.000 0.458 608 Y N 1.206 121.479 120.300 -0.045 0.000 2.163 608 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 608 Y C 2.007 177.946 175.900 0.065 0.000 1.136 608 Y CA 1.296 59.411 58.100 0.026 0.000 1.147 608 Y CB -0.120 38.384 38.460 0.074 0.000 0.987 608 Y HN -0.082 nan 8.280 nan 0.000 0.509 609 I N 0.328 120.977 120.570 0.132 0.000 2.335 609 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 609 I C 2.096 178.266 176.117 0.088 0.000 1.129 609 I CA 1.616 62.955 61.300 0.065 0.000 1.402 609 I CB -0.292 37.523 38.000 -0.309 0.000 1.069 609 I HN 0.177 nan 8.210 nan 0.000 0.424 610 K N 0.079 120.498 120.400 0.033 0.000 2.288 610 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 610 K C 1.962 178.603 176.600 0.067 0.000 1.048 610 K CA 0.841 57.210 56.287 0.135 0.000 0.956 610 K CB 0.014 32.569 32.500 0.092 0.000 0.746 610 K HN 0.384 nan 8.250 nan 0.000 0.461 611 Q N -0.351 119.413 119.800 -0.061 0.000 2.398 611 Q HA 0.044 4.384 4.340 -0.000 0.000 0.204 611 Q C 0.608 176.491 176.000 -0.195 0.000 0.932 611 Q CA 0.731 56.455 55.803 -0.132 0.000 0.916 611 Q CB 0.356 28.982 28.738 -0.186 0.000 1.024 611 Q HN 0.382 nan 8.270 nan 0.000 0.504 612 N N -1.326 117.237 118.700 -0.227 0.000 2.143 612 N HA 0.167 4.907 4.740 -0.000 0.000 0.222 612 N C -1.103 174.082 175.510 -0.541 0.000 1.264 612 N CA -0.182 52.626 53.050 -0.402 0.000 0.897 612 N CB 0.944 39.061 38.487 -0.617 0.000 1.092 612 N HN -0.078 nan 8.380 nan 0.000 0.516 613 F N 0.219 120.190 119.950 0.035 0.000 2.578 613 F HA 0.384 4.911 4.527 -0.000 0.000 0.311 613 F C -0.216 175.706 175.800 0.204 0.000 1.094 613 F CA -0.844 57.231 58.000 0.124 0.000 0.923 613 F CB 1.992 41.068 39.000 0.126 0.000 1.230 613 F HN -0.307 nan 8.300 nan 0.000 0.450 614 T N 3.984 118.730 114.554 0.321 0.000 2.767 614 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 614 T C -2.594 172.168 174.700 0.103 0.000 0.973 614 T CA -1.444 60.749 62.100 0.155 0.000 0.996 614 T CB 1.098 70.007 68.868 0.069 0.000 0.927 614 T HN 0.156 nan 8.240 nan 0.000 0.456 615 P HA 0.117 nan 4.420 nan 0.000 0.265 615 P C 0.003 177.238 177.300 -0.107 0.000 1.193 615 P CA -0.318 62.571 63.100 -0.351 0.000 0.765 615 P CB 0.359 31.662 31.700 -0.663 0.000 0.823 616 S N 3.522 119.195 115.700 -0.044 0.000 2.614 616 S HA 0.409 4.879 4.470 -0.000 0.000 0.265 616 S C -2.128 172.457 174.600 -0.025 0.000 1.303 616 S CA -1.225 56.964 58.200 -0.018 0.000 1.000 616 S CB -0.659 62.536 63.200 -0.009 0.000 0.935 616 S HN 0.367 nan 8.310 nan 0.000 0.551 617 P HA 0.157 nan 4.420 nan 0.000 0.271 617 P C 0.211 177.563 177.300 0.087 0.000 1.220 617 P CA -0.454 62.671 63.100 0.041 0.000 0.768 617 P CB 0.043 31.767 31.700 0.040 0.000 0.848 618 F N 0.000 119.933 119.950 -0.028 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 618 F CB 0.000 38.990 39.000 -0.016 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574