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 1r1h_1_A DATA FIRST_RESID 54 DATA SEQUENCE GIcKSSDcIK SAARLIQNMD ATTEPcTDFF KYAcGGWLKR NVIPETSSRY DATA SEQUENCE GNFDILRDEL EVVLKDVLQE PKTEDIVAVQ KAKALYRScI NESAIDSRGG DATA SEQUENCE EPLLKLLPDI YGWPVATENW EQKYGASWTA EKAIAQLNSK YGKKVLINLF DATA SEQUENCE VGTDDKNSVN HVIHIDQPRL GLPSRDYYEc TGIYKEAcTA YVDFMISVAR DATA SEQUENCE LIRQEERLPI DENQLALEMN KVMELEKEIA NATAKPEDRN DPMLLYNKMT DATA SEQUENCE LAQIQNNFSL EINGKPFSWL NFTNEIMSTV NISITNEEDV VVYAPEYLTK DATA SEQUENCE LKPILTKYSA RDLQNLMSWR FIMDLVSSLS RTYKESRNAF RKALYGTTSE DATA SEQUENCE TATWRRcANY VNGNMENAVG RLYVEAAFAG ESKHVVEDLI AQIREVFIQT DATA SEQUENCE LDDLTWMDAE TKKRAEEKAL AIKERIGYPD DIVSNDNKLN NEYLELNYKE DATA SEQUENCE DEYFENIIQN LKFSQSKQLK KLREKVDKDE WISGAAVVNA FYSSGRNQIV DATA SEQUENCE FPAGILQPPF FSAQQSNSLN YGGIGMVIGH EITHGFDDNG RNFNKDGDLV DATA SEQUENCE DWWTQQSASN FKEQSQcMVY QYGNFSWDLA GGQHLNGINT LGENIADNGG DATA SEQUENCE LGQAYRAYQN YIKKNGEEKL LPGLDLNHKQ LFFLNFAQVW cGTYRPEYAV DATA SEQUENCE NSIKTDVHSP GNFRIIGTLQ NSAEFSEAFH cRKNSYMNPE KKcRVW 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 54 G HA2 0.000 nan 3.960 nan 0.000 0.244 54 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 54 G C 0.000 174.936 174.900 0.060 0.000 0.946 54 G CA 0.000 45.129 45.100 0.049 0.000 0.502 55 I N 1.569 122.169 120.570 0.050 0.000 2.396 55 I HA 0.242 4.415 4.170 0.005 0.000 0.289 55 I C 1.250 177.400 176.117 0.056 0.000 1.056 55 I CA -1.619 59.713 61.300 0.053 0.000 1.365 55 I CB 0.431 38.454 38.000 0.039 0.000 1.407 55 I HN 0.189 nan 8.210 nan 0.000 0.509 56 c N 8.575 127.218 118.600 0.071 0.000 2.633 56 c HA 0.094 4.667 4.570 0.005 0.000 0.415 56 c C 1.558 175.677 174.090 0.048 0.000 1.393 56 c CA -0.290 56.078 56.329 0.066 0.000 1.700 56 c CB -0.952 41.612 42.510 0.090 0.000 2.541 56 c HN 0.940 nan 8.230 nan 0.000 0.603 57 K N 4.181 124.603 120.400 0.038 0.000 2.478 57 K HA 0.169 4.493 4.320 0.005 0.000 0.205 57 K C 0.389 177.003 176.600 0.023 0.000 1.033 57 K CA -0.104 56.200 56.287 0.028 0.000 1.091 57 K CB -0.049 32.466 32.500 0.024 0.000 0.844 57 K HN 0.671 nan 8.250 nan 0.000 0.507 58 S N 0.035 115.750 115.700 0.025 0.000 2.593 58 S HA 0.087 4.560 4.470 0.005 0.000 0.269 58 S C 1.019 175.627 174.600 0.014 0.000 1.334 58 S CA -0.332 57.879 58.200 0.018 0.000 1.015 58 S CB 1.655 64.866 63.200 0.019 0.000 0.912 58 S HN 0.179 nan 8.310 nan 0.000 0.541 59 S N 0.892 116.597 115.700 0.008 0.000 2.382 59 S HA -0.109 4.364 4.470 0.005 0.000 0.228 59 S C 1.387 175.988 174.600 0.002 0.000 1.027 59 S CA 1.319 59.522 58.200 0.004 0.000 0.991 59 S CB -0.611 62.589 63.200 0.000 0.000 0.823 59 S HN 0.785 nan 8.310 nan 0.000 0.469 60 D N 0.379 120.779 120.400 -0.000 0.000 2.178 60 D HA -0.043 4.601 4.640 0.005 0.000 0.202 60 D C 1.969 178.271 176.300 0.003 0.000 0.974 60 D CA 0.764 54.760 54.000 -0.007 0.000 0.841 60 D CB -0.264 40.526 40.800 -0.017 0.000 0.953 60 D HN 0.388 nan 8.370 nan 0.000 0.478 61 c N 0.691 119.300 118.600 0.016 0.000 2.440 61 c HA -0.073 4.500 4.570 0.005 0.000 0.278 61 c C 2.618 176.722 174.090 0.023 0.000 1.295 61 c CA -0.144 56.202 56.329 0.029 0.000 1.738 61 c CB -0.664 41.872 42.510 0.044 0.000 1.987 61 c HN 0.268 nan 8.230 nan 0.000 0.492 62 I N 1.452 122.032 120.570 0.016 0.000 2.315 62 I HA -0.125 4.048 4.170 0.005 0.000 0.248 62 I C 2.305 178.426 176.117 0.007 0.000 1.117 62 I CA 1.464 62.771 61.300 0.012 0.000 1.404 62 I CB -0.913 37.093 38.000 0.009 0.000 1.071 62 I HN 0.370 nan 8.210 nan 0.000 0.419 63 K N -0.031 120.371 120.400 0.004 0.000 2.031 63 K HA -0.063 4.260 4.320 0.005 0.000 0.205 63 K C 2.227 178.826 176.600 -0.002 0.000 1.049 63 K CA 1.585 57.872 56.287 -0.001 0.000 0.939 63 K CB -0.201 32.296 32.500 -0.005 0.000 0.717 63 K HN 0.189 nan 8.250 nan 0.000 0.438 64 S N 1.434 117.134 115.700 0.000 0.000 2.353 64 S HA -0.208 4.265 4.470 0.005 0.000 0.222 64 S C 2.269 176.873 174.600 0.006 0.000 1.035 64 S CA 1.405 59.606 58.200 0.001 0.000 1.025 64 S CB -0.472 62.735 63.200 0.012 0.000 0.902 64 S HN 0.431 nan 8.310 nan 0.000 0.440 65 A N 1.947 124.775 122.820 0.013 0.000 1.883 65 A HA 0.057 4.380 4.320 0.005 0.000 0.217 65 A C 2.435 180.021 177.584 0.005 0.000 1.186 65 A CA 1.914 53.959 52.037 0.013 0.000 0.624 65 A CB -1.334 17.677 19.000 0.017 0.000 0.822 65 A HN 0.557 nan 8.150 nan 0.000 0.444 66 A N -0.484 122.338 122.820 0.002 0.000 1.908 66 A HA -0.224 4.099 4.320 0.005 0.000 0.218 66 A C 2.308 179.889 177.584 -0.005 0.000 1.181 66 A CA 1.880 53.916 52.037 -0.002 0.000 0.627 66 A CB -0.551 18.449 19.000 -0.001 0.000 0.818 66 A HN 0.477 nan 8.150 nan 0.000 0.445 67 R N -0.092 120.405 120.500 -0.005 0.000 2.075 67 R HA -0.047 4.296 4.340 0.005 0.000 0.232 67 R C 2.001 178.291 176.300 -0.016 0.000 1.126 67 R CA 1.629 57.724 56.100 -0.008 0.000 0.963 67 R CB -0.592 29.700 30.300 -0.014 0.000 0.858 67 R HN 0.563 nan 8.270 nan 0.000 0.435 68 L N 0.367 121.580 121.223 -0.017 0.000 2.056 68 L HA -0.158 4.185 4.340 0.005 0.000 0.207 68 L C 2.572 179.416 176.870 -0.043 0.000 1.078 68 L CA 1.143 55.969 54.840 -0.024 0.000 0.749 68 L CB -0.377 41.685 42.059 0.004 0.000 0.901 68 L HN 0.143 nan 8.230 nan 0.000 0.433 69 I N -0.516 120.035 120.570 -0.030 0.000 2.127 69 I HA -0.339 3.834 4.170 0.005 0.000 0.241 69 I C 2.581 178.666 176.117 -0.053 0.000 1.075 69 I CA 1.510 62.785 61.300 -0.042 0.000 1.334 69 I CB -0.275 37.712 38.000 -0.022 0.000 1.040 69 I HN 0.312 nan 8.210 nan 0.000 0.405 70 Q N 0.236 120.016 119.800 -0.032 0.000 2.224 70 Q HA -0.141 4.202 4.340 0.005 0.000 0.203 70 Q C 1.894 177.883 176.000 -0.019 0.000 0.970 70 Q CA 1.050 56.838 55.803 -0.026 0.000 0.865 70 Q CB -0.028 28.704 28.738 -0.011 0.000 0.922 70 Q HN 0.470 nan 8.270 nan 0.000 0.445 71 N N 0.360 119.051 118.700 -0.016 0.000 2.300 71 N HA -0.023 4.720 4.740 0.005 0.000 0.179 71 N C 0.825 176.282 175.510 -0.089 0.000 1.016 71 N CA 0.655 53.709 53.050 0.005 0.000 0.876 71 N CB -0.022 38.458 38.487 -0.012 0.000 0.979 71 N HN 0.386 nan 8.380 nan 0.000 0.432 72 M N -0.302 119.197 119.600 -0.167 0.000 2.227 72 M HA 0.332 4.815 4.480 0.005 0.000 0.316 72 M C -0.741 175.397 176.300 -0.270 0.000 1.144 72 M CA -0.214 54.899 55.300 -0.312 0.000 1.121 72 M CB 1.033 33.369 32.600 -0.440 0.000 1.440 72 M HN -0.285 nan 8.290 nan 0.000 0.473 73 D N 1.367 121.570 120.400 -0.329 0.000 2.446 73 D HA 0.496 5.140 4.640 0.005 0.000 0.251 73 D C 0.395 176.576 176.300 -0.198 0.000 1.137 73 D CA -0.315 53.564 54.000 -0.202 0.000 0.890 73 D CB 1.506 42.239 40.800 -0.111 0.000 1.071 73 D HN 0.753 nan 8.370 nan 0.000 0.528 74 A N 2.528 125.251 122.820 -0.160 0.000 2.216 74 A HA -0.076 4.247 4.320 0.005 0.000 0.214 74 A C 1.839 179.488 177.584 0.109 0.000 1.160 74 A CA 1.516 53.551 52.037 -0.003 0.000 0.725 74 A CB -0.590 18.424 19.000 0.024 0.000 0.784 74 A HN 0.593 nan 8.150 nan 0.000 0.472 75 T N -3.458 111.128 114.554 0.054 0.000 3.085 75 T HA 0.047 4.401 4.350 0.005 0.000 0.263 75 T C 0.775 175.529 174.700 0.090 0.000 1.127 75 T CA 1.092 63.231 62.100 0.064 0.000 1.103 75 T CB -0.408 68.479 68.868 0.031 0.000 0.921 75 T HN 0.210 nan 8.240 nan 0.000 0.510 76 T N 2.810 117.441 114.554 0.128 0.000 2.837 76 T HA 0.410 4.764 4.350 0.005 0.000 0.285 76 T C -0.336 174.481 174.700 0.196 0.000 0.984 76 T CA -0.569 61.616 62.100 0.142 0.000 1.049 76 T CB 1.615 70.556 68.868 0.122 0.000 0.947 76 T HN 0.306 nan 8.240 nan 0.000 0.472 77 E N 4.376 124.642 120.200 0.110 0.000 2.351 77 E HA 0.136 4.489 4.350 0.005 0.000 0.266 77 E C -1.807 174.787 176.600 -0.011 0.000 1.031 77 E CA -1.914 54.519 56.400 0.055 0.000 0.911 77 E CB 0.817 30.555 29.700 0.063 0.000 0.986 77 E HN 0.165 nan 8.360 nan 0.000 0.446 78 P HA -0.173 nan 4.420 nan 0.000 0.217 78 P C 0.399 177.757 177.300 0.097 0.000 1.148 78 P CA 1.145 64.049 63.100 -0.327 0.000 0.834 78 P CB 0.215 31.480 31.700 -0.725 0.000 0.783 79 c N -2.786 115.863 118.600 0.082 0.000 2.673 79 c HA 0.109 4.683 4.570 0.005 0.000 0.264 79 c C 2.466 176.676 174.090 0.199 0.000 1.304 79 c CA 0.767 57.193 56.329 0.161 0.000 1.727 79 c CB -1.485 41.086 42.510 0.103 0.000 1.932 79 c HN 0.284 nan 8.230 nan 0.000 0.563 80 T N -0.560 114.096 114.554 0.170 0.000 2.939 80 T HA -0.027 4.326 4.350 0.005 0.000 0.254 80 T C 0.347 175.184 174.700 0.227 0.000 1.041 80 T CA 1.424 63.630 62.100 0.176 0.000 1.142 80 T CB -0.015 68.912 68.868 0.098 0.000 0.874 80 T HN 0.461 nan 8.240 nan 0.000 0.452 81 D N -0.582 119.949 120.400 0.218 0.000 2.296 81 D HA 0.094 4.737 4.640 0.005 0.000 0.224 81 D C -0.344 176.104 176.300 0.245 0.000 1.324 81 D CA -0.491 53.654 54.000 0.243 0.000 0.940 81 D CB 0.042 40.920 40.800 0.131 0.000 1.492 81 D HN 0.000 nan 8.370 nan 0.000 0.531 82 F N 2.956 122.982 119.950 0.125 0.000 2.407 82 F HA 0.058 4.588 4.527 0.005 0.000 0.299 82 F C 1.507 177.409 175.800 0.171 0.000 1.097 82 F CA 0.723 58.784 58.000 0.101 0.000 1.422 82 F CB -0.051 38.928 39.000 -0.034 0.000 1.067 82 F HN 0.423 nan 8.300 nan 0.000 0.539 83 F N 0.848 120.845 119.950 0.078 0.000 2.146 83 F HA -0.173 4.358 4.527 0.006 0.000 0.298 83 F C 2.497 178.261 175.800 -0.059 0.000 1.096 83 F CA 1.938 59.927 58.000 -0.018 0.000 1.275 83 F CB -0.376 38.589 39.000 -0.058 0.000 1.008 83 F HN -0.161 nan 8.300 nan 0.000 0.480 84 K N -0.828 119.557 120.400 -0.025 0.000 2.057 84 K HA -0.256 4.067 4.320 0.005 0.000 0.206 84 K C 2.198 178.711 176.600 -0.144 0.000 1.050 84 K CA 1.598 57.822 56.287 -0.106 0.000 0.935 84 K CB -0.664 31.855 32.500 0.031 0.000 0.715 84 K HN 0.420 nan 8.250 nan 0.000 0.439 85 Y N 0.898 121.051 120.300 -0.245 0.000 2.114 85 Y HA -0.276 4.277 4.550 0.005 0.000 0.282 85 Y C 1.951 177.609 175.900 -0.403 0.000 1.165 85 Y CA 2.022 59.936 58.100 -0.310 0.000 1.148 85 Y CB -0.430 37.792 38.460 -0.397 0.000 0.972 85 Y HN 0.152 nan 8.280 nan 0.000 0.504 86 A N -1.970 120.540 122.820 -0.517 0.000 2.014 86 A HA -0.086 4.237 4.320 0.005 0.000 0.218 86 A C 1.917 179.254 177.584 -0.412 0.000 1.163 86 A CA 1.551 53.281 52.037 -0.512 0.000 0.652 86 A CB -0.952 17.801 19.000 -0.411 0.000 0.808 86 A HN 0.591 nan 8.150 nan 0.000 0.449 87 c N -2.498 115.823 118.600 -0.464 0.000 3.785 87 c HA 0.336 4.910 4.570 0.005 0.000 0.312 87 c C 2.437 176.376 174.090 -0.250 0.000 1.566 87 c CA -0.436 55.627 56.329 -0.443 0.000 1.837 87 c CB -0.298 41.664 42.510 -0.914 0.000 2.826 87 c HN 0.632 nan 8.230 nan 0.000 0.667 88 G N 1.280 109.941 108.800 -0.231 0.000 2.443 88 G HA2 0.055 4.018 3.960 0.005 0.000 0.219 88 G HA3 0.055 4.018 3.960 0.005 0.000 0.219 88 G C 1.661 176.534 174.900 -0.045 0.000 1.131 88 G CA 1.332 46.365 45.100 -0.112 0.000 0.775 88 G HN 0.552 nan 8.290 nan 0.000 0.547 89 G N 0.058 108.823 108.800 -0.059 0.000 2.433 89 G HA2 -0.242 3.721 3.960 0.005 0.000 0.216 89 G HA3 -0.242 3.721 3.960 0.005 0.000 0.216 89 G C 1.542 176.452 174.900 0.017 0.000 1.186 89 G CA 0.855 45.935 45.100 -0.033 0.000 0.779 89 G HN 0.467 nan 8.290 nan 0.000 0.543 90 W N 0.675 121.903 121.300 -0.120 0.000 2.335 90 W HA -0.110 4.553 4.660 0.005 0.000 0.311 90 W C 2.288 178.779 176.519 -0.047 0.000 1.213 90 W CA 0.941 58.235 57.345 -0.085 0.000 1.274 90 W CB -0.232 29.160 29.460 -0.113 0.000 1.148 90 W HN 0.086 nan 8.180 nan 0.000 0.498 91 L N 1.479 122.923 121.223 0.368 0.000 2.013 91 L HA -0.255 4.088 4.340 0.005 0.000 0.212 91 L C 2.483 179.370 176.870 0.027 0.000 1.073 91 L CA 2.206 57.228 54.840 0.303 0.000 0.753 91 L CB -1.784 40.407 42.059 0.220 0.000 0.890 91 L HN 0.121 nan 8.230 nan 0.000 0.432 92 K N -0.409 119.981 120.400 -0.017 0.000 2.155 92 K HA -0.131 4.192 4.320 0.005 0.000 0.203 92 K C 2.141 178.673 176.600 -0.114 0.000 1.052 92 K CA 0.991 57.248 56.287 -0.049 0.000 0.948 92 K CB 0.147 32.625 32.500 -0.038 0.000 0.728 92 K HN 0.237 nan 8.250 nan 0.000 0.448 93 R N 0.102 120.485 120.500 -0.194 0.000 2.210 93 R HA 0.114 4.457 4.340 0.005 0.000 0.203 93 R C 0.194 176.303 176.300 -0.319 0.000 1.010 93 R CA 0.203 56.164 56.100 -0.231 0.000 1.008 93 R CB 0.241 30.400 30.300 -0.234 0.000 0.923 93 R HN 0.147 nan 8.270 nan 0.000 0.469 94 N N 0.478 118.877 118.700 -0.501 0.000 2.399 94 N HA 0.244 4.987 4.740 0.005 0.000 0.295 94 N C -1.179 174.166 175.510 -0.275 0.000 1.048 94 N CA -0.247 52.475 53.050 -0.546 0.000 0.886 94 N CB 2.808 40.526 38.487 -1.280 0.000 1.185 94 N HN -0.220 nan 8.380 nan 0.000 0.487 95 V N 2.792 122.611 119.914 -0.158 0.000 2.495 95 V HA 0.404 4.528 4.120 0.005 0.000 0.298 95 V C 0.576 176.620 176.094 -0.083 0.000 1.031 95 V CA -0.868 61.388 62.300 -0.074 0.000 0.871 95 V CB 1.798 33.577 31.823 -0.074 0.000 0.988 95 V HN 0.527 nan 8.190 nan 0.000 0.432 96 I N 6.561 127.129 120.570 -0.004 0.000 2.742 96 I HA 0.080 4.253 4.170 0.005 0.000 0.287 96 I C -1.898 174.101 176.117 -0.196 0.000 1.186 96 I CA -1.003 60.260 61.300 -0.062 0.000 1.417 96 I CB 0.266 38.310 38.000 0.074 0.000 1.377 96 I HN 0.425 nan 8.210 nan 0.000 0.556 97 P HA -0.032 nan 4.420 nan 0.000 0.267 97 P C 0.536 177.738 177.300 -0.164 0.000 1.201 97 P CA -0.110 62.813 63.100 -0.296 0.000 0.775 97 P CB 0.489 31.949 31.700 -0.400 0.000 0.854 98 E N 0.574 120.704 120.200 -0.117 0.000 2.265 98 E HA -0.115 4.238 4.350 0.005 0.000 0.196 98 E C 1.368 177.922 176.600 -0.076 0.000 0.996 98 E CA 1.696 58.050 56.400 -0.075 0.000 0.832 98 E CB -0.744 28.920 29.700 -0.060 0.000 0.756 98 E HN 0.612 nan 8.360 nan 0.000 0.491 99 T N -2.441 112.052 114.554 -0.102 0.000 3.107 99 T HA 0.188 4.541 4.350 0.005 0.000 0.249 99 T C 0.800 175.433 174.700 -0.111 0.000 1.096 99 T CA -0.313 61.724 62.100 -0.104 0.000 1.012 99 T CB 0.281 69.078 68.868 -0.118 0.000 0.977 99 T HN -0.204 nan 8.240 nan 0.000 0.527 100 S N 1.419 117.057 115.700 -0.104 0.000 2.472 100 S HA 0.487 4.960 4.470 0.005 0.000 0.303 100 S C 1.055 175.625 174.600 -0.050 0.000 1.099 100 S CA -0.616 57.538 58.200 -0.076 0.000 1.077 100 S CB 1.882 65.050 63.200 -0.053 0.000 1.031 100 S HN 0.510 nan 8.310 nan 0.000 0.487 101 S N 2.081 117.720 115.700 -0.100 0.000 2.483 101 S HA 0.227 4.700 4.470 0.005 0.000 0.221 101 S C 0.637 175.231 174.600 -0.011 0.000 1.030 101 S CA -0.196 57.948 58.200 -0.093 0.000 0.925 101 S CB 0.188 63.165 63.200 -0.372 0.000 0.795 101 S HN 0.660 nan 8.310 nan 0.000 0.511 102 R N -0.707 119.759 120.500 -0.057 0.000 2.651 102 R HA 0.564 4.907 4.340 0.005 0.000 0.278 102 R C -2.425 173.944 176.300 0.116 0.000 1.010 102 R CA -0.710 55.352 56.100 -0.063 0.000 0.896 102 R CB 1.685 31.846 30.300 -0.231 0.000 1.211 102 R HN 0.275 nan 8.270 nan 0.000 0.456 103 Y N 1.296 121.594 120.300 -0.003 0.000 2.513 103 Y HA 0.658 5.211 4.550 0.005 0.000 0.340 103 Y C -0.702 175.282 175.900 0.140 0.000 1.055 103 Y CA 0.250 58.423 58.100 0.122 0.000 1.020 103 Y CB 2.544 41.128 38.460 0.207 0.000 1.301 103 Y HN 0.859 nan 8.280 nan 0.000 0.453 104 G N 2.966 111.519 108.800 -0.412 0.000 2.316 104 G HA2 0.023 3.986 3.960 0.005 0.000 0.296 104 G HA3 0.023 3.986 3.960 0.005 0.000 0.296 104 G C -0.619 173.987 174.900 -0.490 0.000 1.399 104 G CA -0.542 44.196 45.100 -0.604 0.000 0.833 104 G HN 0.662 nan 8.290 nan 0.000 0.565 105 N N -1.082 117.289 118.700 -0.548 0.000 2.137 105 N HA -0.142 4.602 4.740 0.005 0.000 0.190 105 N C 1.886 177.262 175.510 -0.224 0.000 1.017 105 N CA 1.708 54.558 53.050 -0.334 0.000 0.859 105 N CB -0.077 38.190 38.487 -0.368 0.000 1.002 105 N HN 0.381 nan 8.380 nan 0.000 0.428 106 F N 2.051 121.776 119.950 -0.376 0.000 2.113 106 F HA -0.116 4.414 4.527 0.005 0.000 0.297 106 F C 1.848 177.558 175.800 -0.151 0.000 1.103 106 F CA 1.311 59.134 58.000 -0.294 0.000 1.248 106 F CB -0.137 38.580 39.000 -0.471 0.000 0.999 106 F HN -0.005 nan 8.300 nan 0.000 0.475 107 D N 0.498 120.849 120.400 -0.081 0.000 2.178 107 D HA -0.155 4.488 4.640 0.005 0.000 0.202 107 D C 2.488 178.704 176.300 -0.139 0.000 0.974 107 D CA 1.436 55.375 54.000 -0.102 0.000 0.841 107 D CB -0.224 40.585 40.800 0.015 0.000 0.953 107 D HN 0.373 nan 8.370 nan 0.000 0.478 108 I N 0.890 121.346 120.570 -0.190 0.000 2.226 108 I HA -0.240 3.934 4.170 0.005 0.000 0.245 108 I C 2.503 178.569 176.117 -0.085 0.000 1.100 108 I CA 0.630 61.866 61.300 -0.107 0.000 1.374 108 I CB -0.152 37.780 38.000 -0.114 0.000 1.057 108 I HN -0.026 nan 8.210 nan 0.000 0.413 109 L N 0.258 121.388 121.223 -0.155 0.000 2.042 109 L HA -0.231 4.112 4.340 0.005 0.000 0.210 109 L C 2.831 179.612 176.870 -0.148 0.000 1.076 109 L CA 1.480 56.236 54.840 -0.140 0.000 0.749 109 L CB -0.546 41.397 42.059 -0.194 0.000 0.893 109 L HN 0.220 nan 8.230 nan 0.000 0.432 110 R N -0.214 120.148 120.500 -0.230 0.000 2.073 110 R HA -0.160 4.183 4.340 0.005 0.000 0.234 110 R C 1.902 178.158 176.300 -0.073 0.000 1.134 110 R CA 1.578 57.573 56.100 -0.175 0.000 0.952 110 R CB -0.494 29.688 30.300 -0.197 0.000 0.850 110 R HN 0.353 nan 8.270 nan 0.000 0.433 111 D N 0.735 121.114 120.400 -0.034 0.000 2.123 111 D HA -0.162 4.481 4.640 0.005 0.000 0.196 111 D C 1.689 178.030 176.300 0.069 0.000 0.992 111 D CA 1.316 55.331 54.000 0.025 0.000 0.833 111 D CB -0.130 40.717 40.800 0.077 0.000 0.954 111 D HN 0.357 nan 8.370 nan 0.000 0.455 112 E N -0.121 120.111 120.200 0.054 0.000 2.152 112 E HA -0.067 4.287 4.350 0.005 0.000 0.192 112 E C 2.179 178.840 176.600 0.101 0.000 0.983 112 E CA 0.024 56.474 56.400 0.084 0.000 0.818 112 E CB -0.001 29.736 29.700 0.063 0.000 0.758 112 E HN 0.210 nan 8.360 nan 0.000 0.467 113 L N 1.270 122.529 121.223 0.061 0.000 2.056 113 L HA -0.189 4.154 4.340 0.005 0.000 0.207 113 L C 1.945 178.861 176.870 0.078 0.000 1.078 113 L CA 1.481 56.356 54.840 0.058 0.000 0.749 113 L CB 0.006 42.013 42.059 -0.086 0.000 0.901 113 L HN 0.052 nan 8.230 nan 0.000 0.433 114 E N -0.837 119.415 120.200 0.086 0.000 2.160 114 E HA -0.229 4.124 4.350 0.005 0.000 0.195 114 E C 2.166 178.976 176.600 0.350 0.000 0.991 114 E CA 1.479 57.984 56.400 0.175 0.000 0.810 114 E CB -0.150 29.613 29.700 0.106 0.000 0.742 114 E HN 0.402 nan 8.360 nan 0.000 0.466 115 V N 0.775 120.875 119.914 0.310 0.000 2.407 115 V HA -0.230 3.893 4.120 0.005 0.000 0.248 115 V C 2.271 178.421 176.094 0.093 0.000 1.055 115 V CA 1.274 63.707 62.300 0.223 0.000 1.049 115 V CB -0.271 31.648 31.823 0.162 0.000 0.662 115 V HN 0.149 nan 8.190 nan 0.000 0.455 116 V N -0.155 119.834 119.914 0.127 0.000 2.295 116 V HA -0.258 3.865 4.120 0.005 0.000 0.246 116 V C 2.324 178.470 176.094 0.087 0.000 1.049 116 V CA 1.923 64.293 62.300 0.118 0.000 1.024 116 V CB -0.584 31.386 31.823 0.245 0.000 0.648 116 V HN 0.436 nan 8.190 nan 0.000 0.447 117 L N -0.014 121.272 121.223 0.104 0.000 2.012 117 L HA -0.259 4.084 4.340 0.005 0.000 0.210 117 L C 2.625 179.456 176.870 -0.065 0.000 1.073 117 L CA 2.240 57.101 54.840 0.036 0.000 0.748 117 L CB -0.808 41.281 42.059 0.050 0.000 0.891 117 L HN 0.369 nan 8.230 nan 0.000 0.431 118 K N 0.318 120.711 120.400 -0.011 0.000 2.044 118 K HA -0.240 4.083 4.320 0.005 0.000 0.210 118 K C 1.692 178.157 176.600 -0.225 0.000 1.049 118 K CA 2.094 58.286 56.287 -0.158 0.000 0.927 118 K CB -0.063 32.257 32.500 -0.301 0.000 0.713 118 K HN 0.232 nan 8.250 nan 0.000 0.443 119 D N 0.219 120.527 120.400 -0.153 0.000 2.123 119 D HA -0.149 4.494 4.640 0.005 0.000 0.196 119 D C 1.824 178.051 176.300 -0.122 0.000 0.992 119 D CA 1.679 55.601 54.000 -0.130 0.000 0.833 119 D CB -0.052 40.698 40.800 -0.084 0.000 0.954 119 D HN 0.317 nan 8.370 nan 0.000 0.455 120 V N -1.794 118.053 119.914 -0.112 0.000 3.235 120 V HA 0.106 4.230 4.120 0.005 0.000 0.259 120 V C 1.966 177.972 176.094 -0.146 0.000 1.133 120 V CA 0.569 62.810 62.300 -0.098 0.000 1.128 120 V CB -0.434 31.357 31.823 -0.053 0.000 0.757 120 V HN 0.066 nan 8.190 nan 0.000 0.469 121 L N 0.643 121.709 121.223 -0.261 0.000 2.408 121 L HA 0.110 4.453 4.340 0.005 0.000 0.215 121 L C 2.729 179.396 176.870 -0.338 0.000 1.081 121 L CA 1.118 55.732 54.840 -0.376 0.000 0.840 121 L CB -0.218 41.410 42.059 -0.718 0.000 1.002 121 L HN 0.466 nan 8.230 nan 0.000 0.468 122 Q N -0.068 119.560 119.800 -0.288 0.000 2.424 122 Q HA 0.055 4.398 4.340 0.005 0.000 0.204 122 Q C 0.342 176.331 176.000 -0.019 0.000 0.933 122 Q CA 0.484 56.229 55.803 -0.096 0.000 0.929 122 Q CB 0.352 29.057 28.738 -0.055 0.000 1.037 122 Q HN 0.358 nan 8.270 nan 0.000 0.511 123 E N 2.024 122.194 120.200 -0.050 0.000 2.185 123 E HA 0.333 4.687 4.350 0.005 0.000 0.261 123 E C -2.574 174.014 176.600 -0.020 0.000 0.879 123 E CA -2.824 53.560 56.400 -0.026 0.000 0.756 123 E CB 1.774 31.452 29.700 -0.037 0.000 1.152 123 E HN 0.080 nan 8.360 nan 0.000 0.416 124 P HA -0.017 nan 4.420 nan 0.000 0.264 124 P C -0.911 176.385 177.300 -0.008 0.000 1.183 124 P CA 0.386 63.485 63.100 -0.000 0.000 0.763 124 P CB 0.553 32.259 31.700 0.009 0.000 0.807 125 K N 1.584 121.979 120.400 -0.008 0.000 2.371 125 K HA 0.272 4.595 4.320 0.005 0.000 0.251 125 K C 0.889 177.486 176.600 -0.005 0.000 0.934 125 K CA -0.537 55.744 56.287 -0.010 0.000 0.798 125 K CB 1.788 34.279 32.500 -0.015 0.000 1.204 125 K HN 0.219 nan 8.250 nan 0.000 0.427 126 T N 1.269 115.821 114.554 -0.004 0.000 2.915 126 T HA -0.123 4.230 4.350 0.005 0.000 0.269 126 T C 1.202 175.902 174.700 -0.000 0.000 1.071 126 T CA 1.563 63.662 62.100 -0.001 0.000 1.132 126 T CB 0.052 68.920 68.868 -0.001 0.000 0.878 126 T HN 0.611 nan 8.240 nan 0.000 0.479 127 E N 0.849 121.048 120.200 -0.002 0.000 2.489 127 E HA 0.060 4.413 4.350 0.005 0.000 0.193 127 E C -0.181 176.420 176.600 0.000 0.000 1.057 127 E CA -0.076 56.323 56.400 -0.001 0.000 0.866 127 E CB -0.379 29.319 29.700 -0.003 0.000 0.916 127 E HN 0.151 nan 8.360 nan 0.000 0.500 128 D N 2.288 122.688 120.400 -0.000 0.000 2.520 128 D HA 0.018 4.662 4.640 0.005 0.000 0.243 128 D C 0.806 177.110 176.300 0.007 0.000 1.160 128 D CA 0.166 54.167 54.000 0.001 0.000 0.877 128 D CB 0.280 41.080 40.800 0.000 0.000 1.150 128 D HN 0.445 nan 8.370 nan 0.000 0.494 129 I N -0.641 119.935 120.570 0.010 0.000 3.060 129 I HA -0.031 4.142 4.170 0.005 0.000 0.285 129 I C 1.351 177.481 176.117 0.021 0.000 1.190 129 I CA -0.899 60.410 61.300 0.016 0.000 1.363 129 I CB 0.513 38.526 38.000 0.021 0.000 1.396 129 I HN 0.049 nan 8.210 nan 0.000 0.607 130 V N 3.480 123.409 119.914 0.026 0.000 2.407 130 V HA -0.261 3.862 4.120 0.005 0.000 0.248 130 V C 2.771 178.885 176.094 0.033 0.000 1.055 130 V CA 2.353 64.668 62.300 0.025 0.000 1.049 130 V CB -1.145 30.692 31.823 0.023 0.000 0.662 130 V HN 1.032 nan 8.190 nan 0.000 0.455 131 A N -0.450 122.408 122.820 0.065 0.000 1.908 131 A HA -0.182 4.141 4.320 0.005 0.000 0.218 131 A C 2.388 179.965 177.584 -0.013 0.000 1.181 131 A CA 2.256 54.346 52.037 0.089 0.000 0.627 131 A CB -0.594 18.537 19.000 0.218 0.000 0.818 131 A HN 0.354 nan 8.150 nan 0.000 0.445 132 V N -0.388 119.528 119.914 0.004 0.000 2.407 132 V HA -0.247 3.877 4.120 0.005 0.000 0.245 132 V C 2.565 178.654 176.094 -0.009 0.000 1.041 132 V CA 1.992 64.283 62.300 -0.016 0.000 1.040 132 V CB -0.770 31.048 31.823 -0.009 0.000 0.671 132 V HN 0.644 nan 8.190 nan 0.000 0.455 133 Q N -0.214 119.590 119.800 0.007 0.000 2.152 133 Q HA -0.271 4.073 4.340 0.005 0.000 0.206 133 Q C 2.258 178.284 176.000 0.042 0.000 0.985 133 Q CA 1.670 57.486 55.803 0.022 0.000 0.863 133 Q CB -0.205 28.547 28.738 0.023 0.000 0.904 133 Q HN 0.561 nan 8.270 nan 0.000 0.422 134 K N -0.198 120.222 120.400 0.034 0.000 2.155 134 K HA -0.028 4.295 4.320 0.005 0.000 0.203 134 K C 1.990 178.670 176.600 0.134 0.000 1.052 134 K CA 0.876 57.223 56.287 0.100 0.000 0.948 134 K CB 0.026 32.534 32.500 0.013 0.000 0.728 134 K HN 0.134 nan 8.250 nan 0.000 0.448 135 A N 1.565 124.386 122.820 0.001 0.000 1.898 135 A HA -0.115 4.208 4.320 0.005 0.000 0.214 135 A C 1.782 179.386 177.584 0.033 0.000 1.183 135 A CA 1.174 53.193 52.037 -0.030 0.000 0.622 135 A CB -0.129 18.814 19.000 -0.096 0.000 0.824 135 A HN 0.127 nan 8.150 nan 0.000 0.444 136 K N -0.072 120.350 120.400 0.037 0.000 2.097 136 K HA -0.044 4.280 4.320 0.005 0.000 0.206 136 K C 2.229 178.907 176.600 0.130 0.000 1.049 136 K CA 1.081 57.414 56.287 0.077 0.000 0.933 136 K CB -0.282 32.239 32.500 0.036 0.000 0.717 136 K HN 0.428 nan 8.250 nan 0.000 0.442 137 A N 1.330 124.212 122.820 0.104 0.000 1.930 137 A HA -0.133 4.190 4.320 0.005 0.000 0.217 137 A C 2.062 179.687 177.584 0.068 0.000 1.175 137 A CA 1.000 53.100 52.037 0.105 0.000 0.627 137 A CB -0.401 18.680 19.000 0.135 0.000 0.815 137 A HN 0.217 nan 8.150 nan 0.000 0.443 138 L N -1.553 119.673 121.223 0.005 0.000 2.027 138 L HA -0.120 4.223 4.340 0.005 0.000 0.206 138 L C 2.243 179.125 176.870 0.021 0.000 1.074 138 L CA 2.327 57.069 54.840 -0.164 0.000 0.745 138 L CB -1.137 40.689 42.059 -0.389 0.000 0.898 138 L HN 0.503 nan 8.230 nan 0.000 0.433 139 Y N 0.695 120.979 120.300 -0.027 0.000 2.069 139 Y HA -0.334 4.219 4.550 0.005 0.000 0.278 139 Y C 2.782 178.674 175.900 -0.015 0.000 1.175 139 Y CA 2.350 60.451 58.100 0.001 0.000 1.134 139 Y CB -0.272 38.194 38.460 0.010 0.000 0.965 139 Y HN 0.173 nan 8.280 nan 0.000 0.498 140 R N -0.378 120.136 120.500 0.023 0.000 2.096 140 R HA -0.147 4.196 4.340 0.005 0.000 0.235 140 R C 2.622 178.851 176.300 -0.118 0.000 1.127 140 R CA 1.565 57.629 56.100 -0.060 0.000 0.968 140 R CB -0.539 29.789 30.300 0.048 0.000 0.861 140 R HN 0.537 nan 8.270 nan 0.000 0.440 141 S N -0.372 115.291 115.700 -0.061 0.000 2.428 141 S HA -0.154 4.319 4.470 0.005 0.000 0.230 141 S C 2.222 176.731 174.600 -0.152 0.000 1.014 141 S CA 1.046 59.231 58.200 -0.025 0.000 0.957 141 S CB -0.391 62.855 63.200 0.078 0.000 0.784 141 S HN 0.481 nan 8.310 nan 0.000 0.499 142 c N 1.863 120.276 118.600 -0.311 0.000 2.485 142 c HA 0.347 4.920 4.570 0.005 0.000 0.278 142 c C 2.369 176.099 174.090 -0.599 0.000 1.356 142 c CA 0.260 56.129 56.329 -0.767 0.000 1.747 142 c CB -1.393 40.770 42.510 -0.579 0.000 2.001 142 c HN 0.787 nan 8.230 nan 0.000 0.501 143 I N -0.813 119.476 120.570 -0.468 0.000 3.684 143 I HA 0.221 4.394 4.170 0.005 0.000 0.304 143 I C 0.656 176.638 176.117 -0.225 0.000 1.278 143 I CA 0.467 61.552 61.300 -0.359 0.000 1.272 143 I CB -0.693 37.054 38.000 -0.420 0.000 1.029 143 I HN 0.137 nan 8.210 nan 0.000 0.458 144 N N 3.061 121.640 118.700 -0.202 0.000 2.739 144 N HA 0.033 4.776 4.740 0.005 0.000 0.266 144 N C 0.685 176.133 175.510 -0.104 0.000 1.168 144 N CA 0.214 53.194 53.050 -0.117 0.000 1.055 144 N CB 0.287 38.729 38.487 -0.075 0.000 1.393 144 N HN 0.444 nan 8.380 nan 0.000 0.514 145 E N 0.228 120.372 120.200 -0.093 0.000 2.208 145 E HA -0.148 4.205 4.350 0.005 0.000 0.193 145 E C 1.646 178.224 176.600 -0.037 0.000 0.988 145 E CA 0.844 57.200 56.400 -0.073 0.000 0.828 145 E CB 0.133 29.796 29.700 -0.062 0.000 0.763 145 E HN 0.646 nan 8.360 nan 0.000 0.478 146 S N 1.583 117.265 115.700 -0.029 0.000 2.356 146 S HA -0.126 4.347 4.470 0.005 0.000 0.223 146 S C 2.345 176.941 174.600 -0.006 0.000 1.032 146 S CA 0.968 59.160 58.200 -0.013 0.000 1.005 146 S CB -0.239 62.954 63.200 -0.011 0.000 0.867 146 S HN 0.263 nan 8.310 nan 0.000 0.449 147 A N 1.701 124.516 122.820 -0.009 0.000 1.908 147 A HA 0.061 4.384 4.320 0.005 0.000 0.218 147 A C 2.257 179.849 177.584 0.013 0.000 1.181 147 A CA 1.580 53.619 52.037 0.004 0.000 0.627 147 A CB -0.856 18.148 19.000 0.006 0.000 0.818 147 A HN 0.629 nan 8.150 nan 0.000 0.445 148 I N -0.374 120.200 120.570 0.006 0.000 2.202 148 I HA -0.198 3.975 4.170 0.005 0.000 0.242 148 I C 1.858 177.988 176.117 0.023 0.000 1.091 148 I CA 1.392 62.707 61.300 0.025 0.000 1.368 148 I CB -0.404 37.603 38.000 0.012 0.000 1.058 148 I HN 0.199 nan 8.210 nan 0.000 0.410 149 D N 0.146 120.555 120.400 0.016 0.000 2.182 149 D HA -0.188 4.455 4.640 0.005 0.000 0.201 149 D C 2.279 178.595 176.300 0.026 0.000 0.986 149 D CA 1.385 55.401 54.000 0.027 0.000 0.847 149 D CB -0.190 40.620 40.800 0.018 0.000 0.942 149 D HN 0.160 nan 8.370 nan 0.000 0.467 150 S N -0.234 115.476 115.700 0.017 0.000 2.447 150 S HA -0.090 4.383 4.470 0.005 0.000 0.233 150 S C 1.663 176.271 174.600 0.013 0.000 1.006 150 S CA 0.684 58.893 58.200 0.015 0.000 0.957 150 S CB 0.057 63.264 63.200 0.011 0.000 0.773 150 S HN 0.170 nan 8.310 nan 0.000 0.507 151 R N 0.279 120.784 120.500 0.008 0.000 2.300 151 R HA 0.256 4.599 4.340 0.005 0.000 0.199 151 R C 1.777 178.066 176.300 -0.017 0.000 0.920 151 R CA 0.361 56.453 56.100 -0.013 0.000 1.046 151 R CB -0.249 30.033 30.300 -0.030 0.000 0.984 151 R HN 0.459 nan 8.270 nan 0.000 0.493 152 G N 0.574 109.390 108.800 0.025 0.000 2.651 152 G HA2 -0.390 3.573 3.960 0.005 0.000 0.315 152 G HA3 -0.390 3.573 3.960 0.005 0.000 0.315 152 G C 0.696 175.607 174.900 0.019 0.000 1.258 152 G CA 0.180 45.332 45.100 0.087 0.000 1.002 152 G HN 0.443 nan 8.290 nan 0.000 0.551 153 G N -0.337 108.466 108.800 0.005 0.000 3.233 153 G HA2 0.412 4.375 3.960 0.005 0.000 0.234 153 G HA3 0.412 4.375 3.960 0.005 0.000 0.234 153 G C 1.067 175.772 174.900 -0.324 0.000 1.137 153 G CA 1.393 46.261 45.100 -0.387 0.000 0.763 153 G HN 0.847 nan 8.290 nan 0.000 0.549 154 E N 2.034 122.120 120.200 -0.190 0.000 2.097 154 E HA -0.115 4.238 4.350 0.005 0.000 0.196 154 E C -0.109 176.330 176.600 -0.268 0.000 1.000 154 E CA 1.681 57.985 56.400 -0.160 0.000 0.804 154 E CB -0.576 29.069 29.700 -0.091 0.000 0.740 154 E HN 0.355 nan 8.360 nan 0.000 0.454 155 P HA -0.096 nan 4.420 nan 0.000 0.220 155 P C 1.527 178.275 177.300 -0.919 0.000 1.148 155 P CA 0.869 63.571 63.100 -0.664 0.000 0.803 155 P CB -0.070 31.068 31.700 -0.936 0.000 0.782 156 L N -1.002 119.692 121.223 -0.882 0.000 2.044 156 L HA -0.086 4.257 4.340 0.005 0.000 0.205 156 L C 2.130 178.855 176.870 -0.241 0.000 1.075 156 L CA 1.353 55.868 54.840 -0.541 0.000 0.747 156 L CB -0.608 41.151 42.059 -0.499 0.000 0.903 156 L HN -0.100 nan 8.230 nan 0.000 0.435 157 L N -0.155 120.953 121.223 -0.191 0.000 2.083 157 L HA -0.219 4.124 4.340 0.005 0.000 0.209 157 L C 2.448 179.307 176.870 -0.018 0.000 1.083 157 L CA 0.864 55.671 54.840 -0.055 0.000 0.752 157 L CB -0.565 41.478 42.059 -0.026 0.000 0.899 157 L HN 0.166 nan 8.230 nan 0.000 0.433 158 K N -0.129 120.241 120.400 -0.049 0.000 2.288 158 K HA -0.072 4.251 4.320 0.005 0.000 0.201 158 K C 1.772 178.402 176.600 0.050 0.000 1.048 158 K CA 0.808 57.099 56.287 0.007 0.000 0.956 158 K CB -0.305 32.194 32.500 -0.002 0.000 0.746 158 K HN 0.058 nan 8.250 nan 0.000 0.461 159 L N -0.030 121.215 121.223 0.036 0.000 2.162 159 L HA 0.021 4.364 4.340 0.005 0.000 0.205 159 L C 1.574 178.490 176.870 0.077 0.000 1.086 159 L CA 1.080 55.975 54.840 0.090 0.000 0.778 159 L CB -0.560 41.555 42.059 0.092 0.000 0.928 159 L HN 0.030 nan 8.230 nan 0.000 0.446 160 L N 0.582 121.838 121.223 0.056 0.000 2.013 160 L HA -0.135 4.208 4.340 0.005 0.000 0.212 160 L C -0.333 176.591 176.870 0.091 0.000 1.073 160 L CA 2.160 57.045 54.840 0.075 0.000 0.753 160 L CB -2.287 39.834 42.059 0.104 0.000 0.890 160 L HN 0.188 nan 8.230 nan 0.000 0.432 161 P HA -0.148 nan 4.420 nan 0.000 0.221 161 P C 0.980 178.346 177.300 0.109 0.000 1.145 161 P CA 1.273 64.490 63.100 0.195 0.000 0.795 161 P CB 0.061 31.889 31.700 0.213 0.000 0.775 162 D N -0.799 119.658 120.400 0.096 0.000 2.349 162 D HA -0.011 4.632 4.640 0.005 0.000 0.215 162 D C 1.167 177.519 176.300 0.086 0.000 1.016 162 D CA 0.320 54.374 54.000 0.091 0.000 0.870 162 D CB -0.299 40.622 40.800 0.202 0.000 0.917 162 D HN 0.220 nan 8.370 nan 0.000 0.524 163 I N -4.258 116.368 120.570 0.092 0.000 3.833 163 I HA 0.277 4.450 4.170 0.005 0.000 0.328 163 I C -0.470 175.837 176.117 0.318 0.000 1.554 163 I CA -0.595 60.823 61.300 0.196 0.000 1.116 163 I CB -0.192 37.922 38.000 0.189 0.000 1.182 163 I HN -0.176 nan 8.210 nan 0.000 0.459 164 Y N 1.276 121.642 120.300 0.109 0.000 4.786 164 Y HA -0.132 4.421 4.550 0.005 0.000 0.243 164 Y C 1.136 176.932 175.900 -0.174 0.000 1.027 164 Y CA 0.984 59.119 58.100 0.058 0.000 2.052 164 Y CB -1.747 36.925 38.460 0.353 0.000 1.578 164 Y HN 0.827 nan 8.280 nan 0.000 0.655 165 G N -1.206 107.525 108.800 -0.115 0.000 2.712 165 G HA2 -0.105 3.858 3.960 0.005 0.000 0.683 165 G HA3 -0.105 3.858 3.960 0.005 0.000 0.683 165 G C -1.127 173.938 174.900 0.275 0.000 1.320 165 G CA -0.535 44.514 45.100 -0.086 0.000 0.847 165 G HN 0.663 nan 8.290 nan 0.000 0.553 166 W N 3.058 124.384 121.300 0.042 0.000 2.363 166 W HA 0.647 5.310 4.660 0.005 0.000 0.314 166 W C -1.772 174.683 176.519 -0.107 0.000 0.994 166 W CA -2.502 54.828 57.345 -0.026 0.000 1.449 166 W CB 1.278 30.747 29.460 0.015 0.000 1.248 166 W HN 0.416 nan 8.180 nan 0.000 0.409 167 P HA -0.307 nan 4.420 nan 0.000 0.214 167 P C 1.987 179.038 177.300 -0.415 0.000 1.169 167 P CA 3.089 65.828 63.100 -0.600 0.000 0.908 167 P CB -0.160 30.903 31.700 -1.061 0.000 0.791 168 V N -0.406 119.114 119.914 -0.656 0.000 2.311 168 V HA -0.303 3.820 4.120 0.005 0.000 0.256 168 V C 1.672 177.467 176.094 -0.499 0.000 1.077 168 V CA 2.754 64.656 62.300 -0.663 0.000 1.067 168 V CB -1.704 29.474 31.823 -1.074 0.000 0.659 168 V HN 0.162 nan 8.190 nan 0.000 0.451 169 A N -0.466 122.065 122.820 -0.482 0.000 2.577 169 A HA 0.573 4.896 4.320 0.005 0.000 0.280 169 A C 0.675 178.266 177.584 0.012 0.000 1.331 169 A CA 0.430 52.354 52.037 -0.189 0.000 0.935 169 A CB -0.422 18.555 19.000 -0.037 0.000 1.082 169 A HN 0.693 nan 8.150 nan 0.000 0.525 170 T N 0.099 114.673 114.554 0.034 0.000 2.907 170 T HA 0.486 4.839 4.350 0.005 0.000 0.290 170 T C -0.513 174.259 174.700 0.121 0.000 1.066 170 T CA -0.875 61.316 62.100 0.152 0.000 1.012 170 T CB 1.469 70.540 68.868 0.340 0.000 1.184 170 T HN 0.486 nan 8.240 nan 0.000 0.522 171 E N 1.003 121.282 120.200 0.132 0.000 2.313 171 E HA 0.287 4.641 4.350 0.005 0.000 0.272 171 E C -0.471 176.220 176.600 0.151 0.000 1.038 171 E CA -0.886 55.579 56.400 0.108 0.000 0.863 171 E CB 0.324 30.066 29.700 0.070 0.000 1.060 171 E HN 0.565 nan 8.360 nan 0.000 0.402 172 N N 1.088 119.865 118.700 0.130 0.000 2.727 172 N HA -0.227 4.516 4.740 0.005 0.000 0.249 172 N C -0.148 175.467 175.510 0.174 0.000 1.048 172 N CA 1.003 54.123 53.050 0.116 0.000 0.714 172 N CB -1.286 37.232 38.487 0.052 0.000 0.959 172 N HN 0.843 nan 8.380 nan 0.000 0.544 173 W N 0.962 122.318 121.300 0.094 0.000 2.342 173 W HA -0.156 4.508 4.660 0.005 0.000 0.297 173 W C 1.832 178.453 176.519 0.170 0.000 1.213 173 W CA 1.805 59.271 57.345 0.202 0.000 1.251 173 W CB 0.074 29.625 29.460 0.152 0.000 1.136 173 W HN 0.189 nan 8.180 nan 0.000 0.526 174 E N -0.228 120.142 120.200 0.283 0.000 2.110 174 E HA -0.274 4.080 4.350 0.005 0.000 0.193 174 E C 2.140 178.683 176.600 -0.096 0.000 0.988 174 E CA 1.578 58.032 56.400 0.090 0.000 0.804 174 E CB -0.594 29.207 29.700 0.167 0.000 0.745 174 E HN 0.316 nan 8.360 nan 0.000 0.458 175 Q N 0.702 120.466 119.800 -0.059 0.000 2.049 175 Q HA -0.131 4.212 4.340 0.005 0.000 0.198 175 Q C 1.799 177.686 176.000 -0.187 0.000 0.971 175 Q CA 1.310 57.059 55.803 -0.091 0.000 0.833 175 Q CB 0.101 28.808 28.738 -0.053 0.000 0.896 175 Q HN 0.214 nan 8.270 nan 0.000 0.434 176 K N -1.029 119.201 120.400 -0.282 0.000 2.025 176 K HA -0.142 4.181 4.320 0.005 0.000 0.207 176 K C 1.743 177.983 176.600 -0.601 0.000 1.049 176 K CA 1.504 57.478 56.287 -0.522 0.000 0.933 176 K CB 0.022 32.043 32.500 -0.798 0.000 0.714 176 K HN 0.219 nan 8.250 nan 0.000 0.438 177 Y N -1.179 118.838 120.300 -0.472 0.000 2.701 177 Y HA 0.193 4.746 4.550 0.005 0.000 0.275 177 Y C 2.363 177.964 175.900 -0.498 0.000 1.133 177 Y CA 0.152 57.957 58.100 -0.492 0.000 1.241 177 Y CB -0.506 37.434 38.460 -0.865 0.000 1.389 177 Y HN 0.043 nan 8.280 nan 0.000 0.486 178 G N 0.574 108.929 108.800 -0.741 0.000 2.442 178 G HA2 -0.277 3.686 3.960 0.005 0.000 0.219 178 G HA3 -0.277 3.686 3.960 0.005 0.000 0.219 178 G C 1.872 176.758 174.900 -0.024 0.000 1.141 178 G CA 1.309 46.166 45.100 -0.404 0.000 0.763 178 G HN 0.429 nan 8.290 nan 0.000 0.554 179 A N 1.353 124.143 122.820 -0.050 0.000 1.859 179 A HA -0.156 4.167 4.320 0.005 0.000 0.218 179 A C 2.761 180.397 177.584 0.086 0.000 1.209 179 A CA 3.351 55.398 52.037 0.016 0.000 0.639 179 A CB -0.992 17.997 19.000 -0.019 0.000 0.835 179 A HN 0.895 nan 8.150 nan 0.000 0.450 180 S N -3.245 112.524 115.700 0.115 0.000 2.501 180 S HA -0.036 4.437 4.470 0.005 0.000 0.220 180 S C 0.484 175.204 174.600 0.200 0.000 0.997 180 S CA 0.117 58.412 58.200 0.159 0.000 0.919 180 S CB -0.596 62.715 63.200 0.184 0.000 0.778 180 S HN 0.542 nan 8.310 nan 0.000 0.523 181 W N 4.136 125.450 121.300 0.024 0.000 2.493 181 W HA 0.231 4.893 4.660 0.003 0.000 0.337 181 W C 0.483 176.952 176.519 -0.083 0.000 1.234 181 W CA 1.609 58.891 57.345 -0.106 0.000 1.286 181 W CB 0.107 29.567 29.460 -0.000 0.000 1.188 181 W HN 0.345 nan 8.180 nan 0.000 0.564 182 T N 1.932 116.148 114.554 -0.563 0.000 2.883 182 T HA 0.645 4.998 4.350 0.005 0.000 0.296 182 T C 0.555 174.481 174.700 -1.290 0.000 1.117 182 T CA -0.392 61.325 62.100 -0.639 0.000 1.006 182 T CB 1.541 70.266 68.868 -0.239 0.000 1.191 182 T HN 0.610 nan 8.240 nan 0.000 0.508 183 A N 0.687 122.934 122.820 -0.955 0.000 1.930 183 A HA 0.040 4.363 4.320 0.005 0.000 0.217 183 A C 1.925 179.314 177.584 -0.325 0.000 1.175 183 A CA 1.741 53.380 52.037 -0.663 0.000 0.627 183 A CB -1.063 17.890 19.000 -0.078 0.000 0.815 183 A HN 0.923 nan 8.150 nan 0.000 0.443 184 E N 0.643 120.683 120.200 -0.266 0.000 2.049 184 E HA -0.205 4.148 4.350 0.005 0.000 0.198 184 E C 1.949 178.492 176.600 -0.095 0.000 1.007 184 E CA 1.867 58.145 56.400 -0.204 0.000 0.809 184 E CB -0.249 29.236 29.700 -0.357 0.000 0.749 184 E HN 0.636 nan 8.360 nan 0.000 0.450 185 K N -0.045 120.190 120.400 -0.274 0.000 2.031 185 K HA 0.061 4.384 4.320 0.005 0.000 0.205 185 K C 2.207 178.694 176.600 -0.188 0.000 1.049 185 K CA 1.021 57.192 56.287 -0.193 0.000 0.939 185 K CB -0.153 32.206 32.500 -0.235 0.000 0.717 185 K HN 0.137 nan 8.250 nan 0.000 0.438 186 A N 1.634 124.121 122.820 -0.557 0.000 1.855 186 A HA -0.117 4.207 4.320 0.005 0.000 0.215 186 A C 2.132 179.701 177.584 -0.025 0.000 1.191 186 A CA 1.180 52.987 52.037 -0.383 0.000 0.613 186 A CB -0.628 17.960 19.000 -0.686 0.000 0.829 186 A HN 0.154 nan 8.150 nan 0.000 0.442 187 I N 0.000 120.547 120.570 -0.038 0.000 2.208 187 I HA -0.316 3.857 4.170 0.005 0.000 0.245 187 I C 2.937 179.186 176.117 0.220 0.000 1.097 187 I CA 1.198 62.562 61.300 0.107 0.000 1.363 187 I CB -0.377 37.666 38.000 0.072 0.000 1.051 187 I HN 0.362 nan 8.210 nan 0.000 0.413 188 A N -0.136 122.834 122.820 0.251 0.000 1.930 188 A HA -0.214 4.109 4.320 0.005 0.000 0.217 188 A C 2.315 179.950 177.584 0.085 0.000 1.175 188 A CA 1.262 53.394 52.037 0.158 0.000 0.627 188 A CB -0.451 18.597 19.000 0.079 0.000 0.815 188 A HN 0.351 nan 8.150 nan 0.000 0.443 189 Q N -0.152 119.724 119.800 0.126 0.000 2.002 189 Q HA -0.141 4.202 4.340 0.005 0.000 0.204 189 Q C 2.191 178.263 176.000 0.120 0.000 0.988 189 Q CA 1.633 57.520 55.803 0.139 0.000 0.843 189 Q CB -0.569 28.332 28.738 0.272 0.000 0.908 189 Q HN 0.711 nan 8.270 nan 0.000 0.420 190 L N 1.191 122.496 121.223 0.137 0.000 2.042 190 L HA -0.222 4.122 4.340 0.005 0.000 0.210 190 L C 2.407 179.271 176.870 -0.009 0.000 1.076 190 L CA 1.259 56.131 54.840 0.054 0.000 0.749 190 L CB -0.535 41.522 42.059 -0.003 0.000 0.893 190 L HN 0.322 nan 8.230 nan 0.000 0.432 191 N N -0.225 118.492 118.700 0.029 0.000 2.058 191 N HA -0.190 4.554 4.740 0.005 0.000 0.191 191 N C 1.986 177.476 175.510 -0.034 0.000 1.037 191 N CA 2.098 55.158 53.050 0.018 0.000 0.848 191 N CB 0.040 38.571 38.487 0.073 0.000 1.021 191 N HN 0.389 nan 8.380 nan 0.000 0.422 192 S N -0.748 114.919 115.700 -0.055 0.000 2.439 192 S HA 0.085 4.558 4.470 0.005 0.000 0.224 192 S C 2.001 176.506 174.600 -0.159 0.000 1.029 192 S CA 0.440 58.583 58.200 -0.096 0.000 0.946 192 S CB 0.071 63.215 63.200 -0.092 0.000 0.797 192 S HN 0.253 nan 8.310 nan 0.000 0.504 193 K N -0.556 119.701 120.400 -0.239 0.000 2.166 193 K HA 0.165 4.489 4.320 0.005 0.000 0.201 193 K C 0.562 176.799 176.600 -0.605 0.000 1.052 193 K CA 0.827 56.808 56.287 -0.510 0.000 0.969 193 K CB 0.047 32.069 32.500 -0.796 0.000 0.761 193 K HN 0.490 nan 8.250 nan 0.000 0.459 194 Y N -1.304 118.903 120.300 -0.154 0.000 2.527 194 Y HA 0.288 4.841 4.550 0.005 0.000 0.247 194 Y C 0.902 176.668 175.900 -0.223 0.000 1.138 194 Y CA -0.061 57.895 58.100 -0.240 0.000 1.228 194 Y CB 1.391 39.466 38.460 -0.641 0.000 1.252 194 Y HN 0.195 nan 8.280 nan 0.000 0.531 195 G N 1.017 109.784 108.800 -0.056 0.000 2.168 195 G HA2 -0.346 3.617 3.960 0.005 0.000 0.257 195 G HA3 -0.346 3.617 3.960 0.005 0.000 0.257 195 G C 0.198 175.072 174.900 -0.043 0.000 0.997 195 G CA 0.476 45.556 45.100 -0.034 0.000 0.708 195 G HN 0.159 nan 8.290 nan 0.000 0.520 196 K N 0.949 121.281 120.400 -0.113 0.000 2.253 196 K HA 0.498 4.821 4.320 0.005 0.000 0.277 196 K C 0.014 176.596 176.600 -0.030 0.000 1.053 196 K CA -0.830 55.390 56.287 -0.112 0.000 0.892 196 K CB 0.551 32.858 32.500 -0.322 0.000 1.102 196 K HN 0.075 nan 8.250 nan 0.000 0.469 197 K N 4.283 124.695 120.400 0.019 0.000 2.334 197 K HA 0.328 4.652 4.320 0.005 0.000 0.265 197 K C -0.542 176.099 176.600 0.068 0.000 1.039 197 K CA -0.823 55.506 56.287 0.069 0.000 0.920 197 K CB 1.007 33.561 32.500 0.090 0.000 1.160 197 K HN 0.461 nan 8.250 nan 0.000 0.451 198 V N 0.437 120.398 119.914 0.079 0.000 2.823 198 V HA 0.468 4.591 4.120 0.005 0.000 0.312 198 V C 1.066 177.200 176.094 0.068 0.000 1.072 198 V CA -0.964 61.378 62.300 0.071 0.000 0.937 198 V CB 1.374 33.239 31.823 0.070 0.000 1.013 198 V HN 0.836 nan 8.190 nan 0.000 0.430 199 L N 1.164 122.427 121.223 0.066 0.000 3.530 199 L HA -0.244 4.099 4.340 0.005 0.000 0.357 199 L C 0.316 177.258 176.870 0.120 0.000 2.051 199 L CA 2.182 57.062 54.840 0.066 0.000 2.804 199 L CB -1.106 40.941 42.059 -0.020 0.000 1.640 199 L HN 0.704 nan 8.230 nan 0.000 0.757 200 I N 0.073 120.691 120.570 0.079 0.000 2.512 200 I HA 0.260 4.433 4.170 0.005 0.000 0.287 200 I C -0.236 176.023 176.117 0.237 0.000 1.069 200 I CA -0.323 61.070 61.300 0.155 0.000 1.056 200 I CB 1.769 39.766 38.000 -0.006 0.000 1.229 200 I HN 0.058 nan 8.210 nan 0.000 0.429 201 N N 7.543 126.391 118.700 0.246 0.000 2.558 201 N HA 0.241 4.985 4.740 0.005 0.000 0.233 201 N C -1.396 174.337 175.510 0.371 0.000 1.038 201 N CA -0.266 52.951 53.050 0.279 0.000 0.934 201 N CB 0.748 39.370 38.487 0.224 0.000 1.175 201 N HN 0.449 nan 8.380 nan 0.000 0.512 202 L N 5.534 126.974 121.223 0.361 0.000 2.272 202 L HA 0.583 4.926 4.340 0.005 0.000 0.289 202 L C -1.342 175.670 176.870 0.236 0.000 1.032 202 L CA -0.570 54.416 54.840 0.243 0.000 0.810 202 L CB -0.132 42.055 42.059 0.213 0.000 1.205 202 L HN 0.455 nan 8.230 nan 0.000 0.422 203 F N 3.231 123.213 119.950 0.054 0.000 2.601 203 F HA 0.607 5.138 4.527 0.006 0.000 0.309 203 F C -0.784 175.020 175.800 0.006 0.000 1.089 203 F CA -1.244 56.754 58.000 -0.003 0.000 0.940 203 F CB 0.931 39.910 39.000 -0.035 0.000 1.273 203 F HN 0.016 nan 8.300 nan 0.000 0.450 204 V N 2.858 122.809 119.914 0.062 0.000 2.479 204 V HA 0.623 4.746 4.120 0.005 0.000 0.281 204 V C 0.537 176.701 176.094 0.118 0.000 1.031 204 V CA 0.717 63.034 62.300 0.029 0.000 1.038 204 V CB 0.190 31.988 31.823 -0.043 0.000 0.981 204 V HN 1.148 nan 8.190 nan 0.000 0.478 205 G N 3.183 112.053 108.800 0.118 0.000 2.921 205 G HA2 0.539 4.502 3.960 0.005 0.000 0.291 205 G HA3 0.539 4.502 3.960 0.005 0.000 0.291 205 G C -0.534 174.557 174.900 0.319 0.000 1.370 205 G CA -0.583 44.601 45.100 0.139 0.000 0.847 205 G HN 0.495 nan 8.290 nan 0.000 0.532 206 T N 0.973 115.717 114.554 0.316 0.000 2.926 206 T HA 0.231 4.585 4.350 0.005 0.000 0.307 206 T C -0.262 174.651 174.700 0.355 0.000 1.059 206 T CA 0.291 62.578 62.100 0.313 0.000 1.122 206 T CB 1.015 70.002 68.868 0.198 0.000 0.972 206 T HN 0.401 nan 8.240 nan 0.000 0.545 207 D N 1.750 122.304 120.400 0.256 0.000 2.336 207 D HA 0.072 4.715 4.640 0.005 0.000 0.249 207 D C 0.761 177.236 176.300 0.292 0.000 1.213 207 D CA -0.487 53.677 54.000 0.273 0.000 0.870 207 D CB 0.716 41.613 40.800 0.161 0.000 1.076 207 D HN 0.352 nan 8.370 nan 0.000 0.483 208 D N 3.000 123.660 120.400 0.433 0.000 2.158 208 D HA -0.177 4.466 4.640 0.005 0.000 0.197 208 D C 1.180 177.533 176.300 0.089 0.000 0.995 208 D CA 1.160 55.391 54.000 0.385 0.000 0.846 208 D CB 0.352 41.423 40.800 0.451 0.000 0.941 208 D HN 0.495 nan 8.370 nan 0.000 0.456 209 K N -0.509 119.844 120.400 -0.078 0.000 2.367 209 K HA 0.053 4.376 4.320 0.005 0.000 0.194 209 K C 0.315 176.890 176.600 -0.043 0.000 1.027 209 K CA -0.092 56.078 56.287 -0.195 0.000 1.075 209 K CB 0.602 32.848 32.500 -0.424 0.000 0.845 209 K HN -0.092 nan 8.250 nan 0.000 0.529 210 N N 0.345 119.064 118.700 0.032 0.000 2.653 210 N HA 0.013 4.756 4.740 0.005 0.000 0.261 210 N C -0.055 175.472 175.510 0.028 0.000 1.216 210 N CA -0.056 53.009 53.050 0.024 0.000 0.784 210 N CB 1.364 39.861 38.487 0.016 0.000 1.327 210 N HN -0.067 nan 8.380 nan 0.000 0.539 211 S N 0.210 115.927 115.700 0.028 0.000 2.607 211 S HA -0.056 4.418 4.470 0.005 0.000 0.224 211 S C 1.626 176.205 174.600 -0.035 0.000 0.969 211 S CA 0.662 58.878 58.200 0.028 0.000 0.927 211 S CB -0.350 62.876 63.200 0.043 0.000 0.772 211 S HN 0.322 nan 8.310 nan 0.000 0.533 212 V N -1.753 118.128 119.914 -0.055 0.000 3.406 212 V HA 0.316 4.439 4.120 0.005 0.000 0.263 212 V C 0.092 176.075 176.094 -0.184 0.000 1.172 212 V CA -0.120 62.120 62.300 -0.099 0.000 1.140 212 V CB -0.819 30.965 31.823 -0.066 0.000 0.784 212 V HN 0.269 nan 8.190 nan 0.000 0.467 213 N N -0.001 118.601 118.700 -0.163 0.000 2.443 213 N HA 0.499 5.242 4.740 0.005 0.000 0.293 213 N C -0.963 174.394 175.510 -0.256 0.000 1.159 213 N CA -0.396 52.538 53.050 -0.194 0.000 0.904 213 N CB 1.156 39.606 38.487 -0.061 0.000 1.214 213 N HN 0.540 nan 8.380 nan 0.000 0.513 214 H N -1.214 117.880 119.070 0.040 0.000 2.525 214 H HA 0.747 5.306 4.556 0.005 0.000 0.340 214 H C -0.458 174.894 175.328 0.040 0.000 1.168 214 H CA -0.776 55.306 56.048 0.056 0.000 1.247 214 H CB 1.438 31.221 29.762 0.035 0.000 1.568 214 H HN 0.039 nan 8.280 nan 0.000 0.536 215 V N 1.782 121.815 119.914 0.198 0.000 3.147 215 V HA 0.188 4.311 4.120 0.005 0.000 0.306 215 V C -0.233 175.874 176.094 0.022 0.000 1.209 215 V CA -0.931 61.395 62.300 0.043 0.000 1.023 215 V CB 2.355 34.131 31.823 -0.078 0.000 1.059 215 V HN 0.606 nan 8.190 nan 0.000 0.435 216 I N 2.228 122.743 120.570 -0.091 0.000 2.588 216 I HA 0.269 4.442 4.170 0.005 0.000 0.283 216 I C -0.310 175.600 176.117 -0.345 0.000 1.119 216 I CA 0.185 61.395 61.300 -0.150 0.000 1.419 216 I CB 0.293 38.212 38.000 -0.134 0.000 1.394 216 I HN 0.644 nan 8.210 nan 0.000 0.562 217 H N 5.432 124.113 119.070 -0.649 0.000 2.569 217 H HA 0.599 5.159 4.556 0.005 0.000 0.357 217 H C -0.596 174.372 175.328 -0.600 0.000 1.153 217 H CA -0.537 54.984 56.048 -0.877 0.000 1.193 217 H CB 1.892 30.600 29.762 -1.757 0.000 1.602 217 H HN 0.293 nan 8.280 nan 0.000 0.523 218 I N 2.123 122.521 120.570 -0.287 0.000 2.466 218 I HA 0.283 4.456 4.170 0.005 0.000 0.289 218 I C -0.572 175.585 176.117 0.067 0.000 1.026 218 I CA -0.415 60.864 61.300 -0.035 0.000 1.078 218 I CB 1.665 39.648 38.000 -0.028 0.000 1.249 218 I HN 0.575 nan 8.210 nan 0.000 0.429 219 D N 4.057 124.592 120.400 0.225 0.000 2.579 219 D HA 0.286 4.929 4.640 0.005 0.000 0.257 219 D C -0.821 175.545 176.300 0.110 0.000 1.176 219 D CA -0.339 53.813 54.000 0.254 0.000 0.914 219 D CB 2.055 43.141 40.800 0.476 0.000 1.431 219 D HN 0.532 nan 8.370 nan 0.000 0.454 220 Q N 0.554 120.297 119.800 -0.094 0.000 2.421 220 Q HA 0.437 4.780 4.340 0.005 0.000 0.255 220 Q C -2.243 173.616 176.000 -0.234 0.000 1.013 220 Q CA -1.312 54.187 55.803 -0.506 0.000 0.895 220 Q CB 0.699 28.927 28.738 -0.851 0.000 1.271 220 Q HN 0.137 nan 8.270 nan 0.000 0.460 221 P HA 0.180 nan 4.420 nan 0.000 0.279 221 P C -0.753 176.503 177.300 -0.073 0.000 1.252 221 P CA -0.448 62.612 63.100 -0.067 0.000 0.811 221 P CB 0.951 32.647 31.700 -0.006 0.000 1.035 222 R N 0.559 121.045 120.500 -0.022 0.000 2.774 222 R HA 0.371 4.714 4.340 0.005 0.000 0.269 222 R C 0.206 176.518 176.300 0.019 0.000 1.068 222 R CA -0.363 55.734 56.100 -0.004 0.000 1.180 222 R CB -0.071 30.238 30.300 0.015 0.000 1.077 222 R HN 0.456 nan 8.270 nan 0.000 0.513 223 L N -0.634 120.615 121.223 0.044 0.000 2.313 223 L HA 0.346 4.689 4.340 0.005 0.000 0.268 223 L C 1.649 178.605 176.870 0.145 0.000 1.010 223 L CA -0.452 54.447 54.840 0.098 0.000 0.814 223 L CB 1.526 43.659 42.059 0.123 0.000 1.304 223 L HN 0.796 nan 8.230 nan 0.000 0.441 224 G N 1.186 110.125 108.800 0.231 0.000 2.422 224 G HA2 0.032 3.996 3.960 0.005 0.000 0.218 224 G HA3 0.032 3.996 3.960 0.005 0.000 0.218 224 G C 0.584 175.466 174.900 -0.030 0.000 1.140 224 G CA 0.240 45.457 45.100 0.196 0.000 0.775 224 G HN 0.264 nan 8.290 nan 0.000 0.545 225 L N -0.065 121.057 121.223 -0.168 0.000 2.416 225 L HA 0.284 4.627 4.340 0.005 0.000 0.262 225 L C -1.352 175.338 176.870 -0.300 0.000 1.093 225 L CA -1.989 52.607 54.840 -0.407 0.000 0.801 225 L CB 1.544 43.154 42.059 -0.749 0.000 1.191 225 L HN -0.132 nan 8.230 nan 0.000 0.459 226 P HA -0.080 nan 4.420 nan 0.000 0.218 226 P C -0.125 177.110 177.300 -0.108 0.000 1.149 226 P CA 0.795 63.694 63.100 -0.335 0.000 0.817 226 P CB 0.267 31.685 31.700 -0.470 0.000 0.785 227 S N -2.442 113.240 115.700 -0.031 0.000 2.638 227 S HA 0.346 4.819 4.470 0.005 0.000 0.274 227 S C 1.017 175.754 174.600 0.229 0.000 1.157 227 S CA -0.947 57.332 58.200 0.131 0.000 0.826 227 S CB 1.477 64.778 63.200 0.168 0.000 1.139 227 S HN 0.039 nan 8.310 nan 0.000 0.474 228 R N 0.518 121.122 120.500 0.173 0.000 2.152 228 R HA -0.108 4.235 4.340 0.005 0.000 0.232 228 R C 0.483 176.892 176.300 0.182 0.000 1.117 228 R CA 2.126 58.345 56.100 0.199 0.000 0.981 228 R CB -1.224 29.120 30.300 0.073 0.000 0.870 228 R HN 0.703 nan 8.270 nan 0.000 0.451 229 D N 0.552 120.975 120.400 0.039 0.000 2.149 229 D HA -0.179 4.464 4.640 0.005 0.000 0.198 229 D C 1.312 177.239 176.300 -0.622 0.000 0.990 229 D CA 1.299 55.163 54.000 -0.228 0.000 0.839 229 D CB -0.269 40.375 40.800 -0.260 0.000 0.948 229 D HN 0.259 nan 8.370 nan 0.000 0.460 230 Y N -0.510 119.401 120.300 -0.649 0.000 2.333 230 Y HA -0.176 4.377 4.550 0.005 0.000 0.290 230 Y C 1.391 176.979 175.900 -0.521 0.000 1.144 230 Y CA 0.925 58.549 58.100 -0.793 0.000 1.228 230 Y CB -0.426 37.724 38.460 -0.517 0.000 0.985 230 Y HN 0.145 nan 8.280 nan 0.000 0.542 231 Y N -0.209 120.055 120.300 -0.059 0.000 2.632 231 Y HA -0.099 4.454 4.550 0.006 0.000 0.301 231 Y C 1.892 177.794 175.900 0.003 0.000 1.172 231 Y CA 0.475 58.586 58.100 0.019 0.000 1.328 231 Y CB -0.474 38.011 38.460 0.041 0.000 1.016 231 Y HN 0.223 nan 8.280 nan 0.000 0.529 232 E N -1.099 119.111 120.200 0.017 0.000 2.085 232 E HA -0.228 4.125 4.350 0.005 0.000 0.194 232 E C 1.048 177.697 176.600 0.081 0.000 0.994 232 E CA 1.427 57.852 56.400 0.042 0.000 0.801 232 E CB -0.226 29.486 29.700 0.021 0.000 0.743 232 E HN 0.416 nan 8.360 nan 0.000 0.453 233 c N 0.975 119.621 118.600 0.077 0.000 4.456 233 c HA -0.138 4.435 4.570 0.005 0.000 0.288 233 c C 0.767 174.928 174.090 0.120 0.000 1.374 233 c CA 0.724 57.121 56.329 0.114 0.000 1.956 233 c CB -2.942 39.633 42.510 0.109 0.000 1.255 233 c HN 0.603 nan 8.230 nan 0.000 0.788 234 T N -2.645 111.992 114.554 0.139 0.000 2.940 234 T HA 0.731 5.084 4.350 0.005 0.000 0.288 234 T C 1.048 175.782 174.700 0.057 0.000 1.045 234 T CA 0.503 62.657 62.100 0.090 0.000 1.018 234 T CB 1.845 70.758 68.868 0.074 0.000 1.151 234 T HN 2.129 nan 8.240 nan 0.000 0.529 235 G N 1.602 110.402 108.800 0.001 0.000 2.660 235 G HA2 -0.351 3.612 3.960 0.005 0.000 0.321 235 G HA3 -0.351 3.612 3.960 0.005 0.000 0.321 235 G C 1.066 175.879 174.900 -0.145 0.000 1.246 235 G CA 0.892 45.953 45.100 -0.065 0.000 1.000 235 G HN 1.765 nan 8.290 nan 0.000 0.550 236 I N -2.012 118.369 120.570 -0.314 0.000 3.083 236 I HA 0.158 4.332 4.170 0.005 0.000 0.273 236 I C 1.994 177.780 176.117 -0.552 0.000 1.297 236 I CA 1.606 62.629 61.300 -0.462 0.000 1.452 236 I CB -0.303 37.320 38.000 -0.628 0.000 1.078 236 I HN 0.380 nan 8.210 nan 0.000 0.484 237 Y N 1.032 121.227 120.300 -0.176 0.000 2.458 237 Y HA 0.244 4.798 4.550 0.006 0.000 0.256 237 Y C 2.310 178.175 175.900 -0.059 0.000 1.159 237 Y CA -0.228 57.748 58.100 -0.206 0.000 1.261 237 Y CB -0.208 38.089 38.460 -0.272 0.000 1.119 237 Y HN 0.074 nan 8.280 nan 0.000 0.524 238 K N 1.108 121.549 120.400 0.068 0.000 2.026 238 K HA -0.246 4.077 4.320 0.005 0.000 0.208 238 K C 2.076 178.729 176.600 0.089 0.000 1.048 238 K CA 1.920 58.253 56.287 0.076 0.000 0.929 238 K CB 0.087 32.611 32.500 0.039 0.000 0.713 238 K HN 0.132 nan 8.250 nan 0.000 0.439 239 E N 0.366 120.605 120.200 0.065 0.000 2.110 239 E HA -0.116 4.237 4.350 0.005 0.000 0.193 239 E C 1.545 178.224 176.600 0.132 0.000 0.988 239 E CA 1.518 57.965 56.400 0.079 0.000 0.804 239 E CB -0.224 29.502 29.700 0.044 0.000 0.745 239 E HN 0.384 nan 8.360 nan 0.000 0.458 240 A N -0.284 122.632 122.820 0.159 0.000 1.929 240 A HA -0.126 4.197 4.320 0.005 0.000 0.216 240 A C 2.525 180.277 177.584 0.280 0.000 1.176 240 A CA 1.270 53.435 52.037 0.214 0.000 0.628 240 A CB -0.888 18.289 19.000 0.294 0.000 0.816 240 A HN 0.486 nan 8.150 nan 0.000 0.444 241 c N -1.263 117.475 118.600 0.231 0.000 2.457 241 c HA -0.038 4.535 4.570 0.005 0.000 0.278 241 c C 3.036 177.281 174.090 0.259 0.000 1.309 241 c CA 1.510 57.982 56.329 0.238 0.000 1.735 241 c CB -1.288 41.317 42.510 0.159 0.000 1.992 241 c HN 0.632 nan 8.230 nan 0.000 0.493 242 T N 1.028 115.700 114.554 0.197 0.000 2.777 242 T HA -0.102 4.252 4.350 0.005 0.000 0.266 242 T C 2.071 176.892 174.700 0.202 0.000 1.040 242 T CA 1.635 63.832 62.100 0.162 0.000 1.141 242 T CB -0.328 68.609 68.868 0.116 0.000 0.868 242 T HN 0.622 nan 8.240 nan 0.000 0.444 243 A N 0.058 123.035 122.820 0.262 0.000 1.969 243 A HA -0.026 4.298 4.320 0.005 0.000 0.218 243 A C 2.034 179.902 177.584 0.473 0.000 1.169 243 A CA 1.127 53.357 52.037 0.322 0.000 0.635 243 A CB -0.945 18.247 19.000 0.321 0.000 0.810 243 A HN 0.664 nan 8.150 nan 0.000 0.445 244 Y N 0.273 120.814 120.300 0.401 0.000 2.145 244 Y HA -0.216 4.337 4.550 0.005 0.000 0.286 244 Y C 2.329 178.322 175.900 0.154 0.000 1.145 244 Y CA 1.808 60.121 58.100 0.355 0.000 1.148 244 Y CB 0.020 38.699 38.460 0.366 0.000 0.981 244 Y HN 0.117 nan 8.280 nan 0.000 0.507 245 V N 0.250 120.206 119.914 0.070 0.000 2.453 245 V HA -0.256 3.867 4.120 0.005 0.000 0.247 245 V C 1.700 177.730 176.094 -0.107 0.000 1.048 245 V CA 1.997 64.211 62.300 -0.142 0.000 1.049 245 V CB -0.611 31.184 31.823 -0.047 0.000 0.672 245 V HN 0.398 nan 8.190 nan 0.000 0.457 246 D N -0.377 120.045 120.400 0.037 0.000 2.182 246 D HA -0.186 4.458 4.640 0.005 0.000 0.201 246 D C 1.856 178.222 176.300 0.109 0.000 0.986 246 D CA 1.327 55.363 54.000 0.059 0.000 0.847 246 D CB -0.252 40.612 40.800 0.106 0.000 0.942 246 D HN 0.504 nan 8.370 nan 0.000 0.467 247 F N 0.548 120.470 119.950 -0.048 0.000 2.084 247 F HA -0.194 4.337 4.527 0.006 0.000 0.296 247 F C 2.340 178.022 175.800 -0.198 0.000 1.111 247 F CA 0.641 58.635 58.000 -0.011 0.000 1.224 247 F CB -0.003 39.030 39.000 0.056 0.000 0.991 247 F HN -0.157 nan 8.300 nan 0.000 0.471 248 M N 0.728 119.859 119.600 -0.782 0.000 2.204 248 M HA -0.355 4.128 4.480 0.005 0.000 0.255 248 M C 2.100 178.126 176.300 -0.458 0.000 1.073 248 M CA 2.211 56.740 55.300 -1.285 0.000 1.084 248 M CB -0.894 30.969 32.600 -1.228 0.000 1.289 248 M HN 0.259 nan 8.290 nan 0.000 0.419 249 I N -0.585 119.819 120.570 -0.278 0.000 2.179 249 I HA -0.252 3.921 4.170 0.005 0.000 0.242 249 I C 2.470 178.553 176.117 -0.057 0.000 1.088 249 I CA 1.241 62.444 61.300 -0.161 0.000 1.357 249 I CB -0.390 37.540 38.000 -0.117 0.000 1.051 249 I HN 0.272 nan 8.210 nan 0.000 0.409 250 S N 0.318 116.031 115.700 0.021 0.000 2.382 250 S HA -0.129 4.344 4.470 0.005 0.000 0.228 250 S C 2.058 176.723 174.600 0.107 0.000 1.027 250 S CA 1.148 59.396 58.200 0.079 0.000 0.991 250 S CB -0.266 63.029 63.200 0.158 0.000 0.823 250 S HN 0.229 nan 8.310 nan 0.000 0.469 251 V N 1.907 121.925 119.914 0.174 0.000 2.323 251 V HA -0.115 4.008 4.120 0.005 0.000 0.244 251 V C 2.680 178.975 176.094 0.336 0.000 1.041 251 V CA 1.514 63.987 62.300 0.289 0.000 1.025 251 V CB -1.230 30.809 31.823 0.361 0.000 0.656 251 V HN 0.528 nan 8.190 nan 0.000 0.451 252 A N -0.089 122.903 122.820 0.286 0.000 1.940 252 A HA -0.291 4.033 4.320 0.005 0.000 0.219 252 A C 2.392 179.985 177.584 0.016 0.000 1.176 252 A CA 2.270 54.337 52.037 0.050 0.000 0.631 252 A CB -0.570 18.197 19.000 -0.388 0.000 0.814 252 A HN 0.484 nan 8.150 nan 0.000 0.446 253 R N -0.606 119.898 120.500 0.006 0.000 2.066 253 R HA 0.001 4.344 4.340 0.005 0.000 0.232 253 R C 2.048 178.351 176.300 0.006 0.000 1.131 253 R CA 1.323 57.416 56.100 -0.012 0.000 0.955 253 R CB -0.363 29.923 30.300 -0.024 0.000 0.851 253 R HN 0.541 nan 8.270 nan 0.000 0.432 254 L N 0.410 121.635 121.223 0.004 0.000 2.042 254 L HA -0.216 4.127 4.340 0.005 0.000 0.210 254 L C 2.374 179.290 176.870 0.077 0.000 1.076 254 L CA 1.292 56.092 54.840 -0.068 0.000 0.749 254 L CB -0.369 41.476 42.059 -0.358 0.000 0.893 254 L HN 0.281 nan 8.230 nan 0.000 0.432 255 I N -0.741 119.949 120.570 0.201 0.000 2.179 255 I HA -0.273 3.900 4.170 0.005 0.000 0.242 255 I C 2.807 179.004 176.117 0.132 0.000 1.088 255 I CA 1.205 62.648 61.300 0.238 0.000 1.357 255 I CB -0.395 37.788 38.000 0.306 0.000 1.051 255 I HN 0.241 nan 8.210 nan 0.000 0.409 256 R N 0.619 121.165 120.500 0.077 0.000 2.083 256 R HA -0.202 4.142 4.340 0.005 0.000 0.237 256 R C 2.293 178.613 176.300 0.034 0.000 1.137 256 R CA 1.493 57.615 56.100 0.036 0.000 0.951 256 R CB -0.503 29.793 30.300 -0.007 0.000 0.851 256 R HN 0.522 nan 8.270 nan 0.000 0.434 257 Q N 0.322 120.137 119.800 0.026 0.000 2.096 257 Q HA -0.216 4.127 4.340 0.005 0.000 0.204 257 Q C 2.018 178.039 176.000 0.033 0.000 0.982 257 Q CA 1.602 57.415 55.803 0.017 0.000 0.850 257 Q CB -0.076 28.660 28.738 -0.003 0.000 0.901 257 Q HN 0.414 nan 8.270 nan 0.000 0.422 258 E N 0.306 120.542 120.200 0.060 0.000 2.152 258 E HA -0.151 4.203 4.350 0.005 0.000 0.192 258 E C 1.236 177.875 176.600 0.064 0.000 0.983 258 E CA 0.573 57.018 56.400 0.075 0.000 0.818 258 E CB 0.327 30.107 29.700 0.134 0.000 0.758 258 E HN 0.192 nan 8.360 nan 0.000 0.467 259 E N 0.566 120.806 120.200 0.067 0.000 2.494 259 E HA -0.017 4.336 4.350 0.005 0.000 0.193 259 E C -0.147 176.478 176.600 0.043 0.000 1.074 259 E CA 0.027 56.463 56.400 0.059 0.000 0.867 259 E CB 0.120 29.863 29.700 0.072 0.000 0.924 259 E HN 0.071 nan 8.360 nan 0.000 0.502 260 R N 0.235 120.756 120.500 0.035 0.000 3.158 260 R HA -0.181 4.162 4.340 0.005 0.000 0.244 260 R C -0.570 175.743 176.300 0.022 0.000 0.900 260 R CA 0.342 56.456 56.100 0.024 0.000 0.618 260 R CB -2.008 28.304 30.300 0.021 0.000 1.061 260 R HN 0.142 nan 8.270 nan 0.000 0.471 261 L N 0.791 122.027 121.223 0.021 0.000 2.358 261 L HA 0.653 4.996 4.340 0.005 0.000 0.268 261 L C -1.453 175.419 176.870 0.003 0.000 1.032 261 L CA -2.411 52.438 54.840 0.015 0.000 0.805 261 L CB 0.937 43.007 42.059 0.018 0.000 1.253 261 L HN 0.034 nan 8.230 nan 0.000 0.452 262 P HA 0.239 nan 4.420 nan 0.000 0.271 262 P C -0.966 176.321 177.300 -0.021 0.000 1.216 262 P CA 0.134 63.229 63.100 -0.010 0.000 0.776 262 P CB 0.880 32.574 31.700 -0.009 0.000 0.881 263 I N 2.324 122.879 120.570 -0.024 0.000 2.418 263 I HA 0.217 4.390 4.170 0.005 0.000 0.287 263 I C -0.145 175.950 176.117 -0.038 0.000 1.008 263 I CA -0.333 60.946 61.300 -0.036 0.000 1.104 263 I CB 1.714 39.695 38.000 -0.032 0.000 1.264 263 I HN 0.220 nan 8.210 nan 0.000 0.438 264 D N 6.498 126.869 120.400 -0.049 0.000 2.464 264 D HA 0.165 4.808 4.640 0.005 0.000 0.243 264 D C 0.917 177.183 176.300 -0.056 0.000 1.104 264 D CA -0.292 53.681 54.000 -0.046 0.000 0.883 264 D CB 1.125 41.898 40.800 -0.045 0.000 1.050 264 D HN 0.350 nan 8.370 nan 0.000 0.524 265 E N 2.395 122.566 120.200 -0.048 0.000 2.097 265 E HA -0.204 4.149 4.350 0.005 0.000 0.196 265 E C 1.279 177.845 176.600 -0.057 0.000 1.000 265 E CA 0.740 57.109 56.400 -0.052 0.000 0.804 265 E CB 0.048 29.726 29.700 -0.038 0.000 0.740 265 E HN 0.630 nan 8.360 nan 0.000 0.454 266 N N 0.455 119.126 118.700 -0.048 0.000 2.166 266 N HA -0.203 4.541 4.740 0.005 0.000 0.186 266 N C 1.939 177.413 175.510 -0.060 0.000 1.019 266 N CA 1.206 54.227 53.050 -0.047 0.000 0.856 266 N CB 0.049 38.514 38.487 -0.037 0.000 0.993 266 N HN 0.118 nan 8.380 nan 0.000 0.426 267 Q N 1.085 120.844 119.800 -0.068 0.000 2.187 267 Q HA 0.058 4.401 4.340 0.005 0.000 0.199 267 Q C 2.082 178.013 176.000 -0.116 0.000 0.957 267 Q CA 0.697 56.449 55.803 -0.084 0.000 0.857 267 Q CB -0.107 28.584 28.738 -0.079 0.000 0.929 267 Q HN 0.317 nan 8.270 nan 0.000 0.453 268 L N 0.007 121.157 121.223 -0.122 0.000 1.970 268 L HA -0.218 4.125 4.340 0.005 0.000 0.212 268 L C 2.415 179.193 176.870 -0.152 0.000 1.071 268 L CA 1.554 56.299 54.840 -0.159 0.000 0.751 268 L CB -1.059 40.918 42.059 -0.137 0.000 0.889 268 L HN 0.418 nan 8.230 nan 0.000 0.432 269 A N -0.468 122.286 122.820 -0.110 0.000 1.940 269 A HA -0.227 4.096 4.320 0.005 0.000 0.219 269 A C 2.193 179.722 177.584 -0.092 0.000 1.176 269 A CA 1.615 53.595 52.037 -0.094 0.000 0.631 269 A CB -0.606 18.356 19.000 -0.062 0.000 0.814 269 A HN 0.330 nan 8.150 nan 0.000 0.446 270 L N -0.564 120.606 121.223 -0.088 0.000 2.072 270 L HA -0.093 4.250 4.340 0.005 0.000 0.205 270 L C 2.370 179.185 176.870 -0.092 0.000 1.079 270 L CA 2.000 56.795 54.840 -0.075 0.000 0.752 270 L CB -0.341 41.678 42.059 -0.067 0.000 0.906 270 L HN 0.478 nan 8.230 nan 0.000 0.436 271 E N -1.442 118.678 120.200 -0.132 0.000 2.107 271 E HA -0.177 4.177 4.350 0.005 0.000 0.191 271 E C 2.042 178.539 176.600 -0.172 0.000 0.982 271 E CA 0.909 57.212 56.400 -0.162 0.000 0.809 271 E CB 0.024 29.587 29.700 -0.228 0.000 0.756 271 E HN 0.324 nan 8.360 nan 0.000 0.459 272 M N 0.601 120.082 119.600 -0.198 0.000 2.419 272 M HA -0.049 4.434 4.480 0.005 0.000 0.264 272 M C 1.538 177.744 176.300 -0.156 0.000 1.082 272 M CA 0.836 55.998 55.300 -0.230 0.000 1.119 272 M CB -0.624 31.802 32.600 -0.290 0.000 1.398 272 M HN 0.055 nan 8.290 nan 0.000 0.453 273 N N 0.278 118.919 118.700 -0.098 0.000 2.216 273 N HA -0.093 4.651 4.740 0.005 0.000 0.183 273 N C 1.591 177.100 175.510 -0.001 0.000 1.017 273 N CA 0.826 53.853 53.050 -0.039 0.000 0.861 273 N CB 0.053 38.527 38.487 -0.021 0.000 0.986 273 N HN 0.288 nan 8.380 nan 0.000 0.428 274 K N 1.033 121.428 120.400 -0.008 0.000 2.147 274 K HA -0.020 4.304 4.320 0.005 0.000 0.205 274 K C 1.990 178.613 176.600 0.039 0.000 1.049 274 K CA 0.400 56.716 56.287 0.049 0.000 0.936 274 K CB -0.290 32.236 32.500 0.044 0.000 0.722 274 K HN 0.006 nan 8.250 nan 0.000 0.446 275 V N 1.490 121.386 119.914 -0.029 0.000 2.287 275 V HA -0.284 3.839 4.120 0.005 0.000 0.248 275 V C 2.427 178.537 176.094 0.027 0.000 1.053 275 V CA 1.805 64.086 62.300 -0.032 0.000 1.027 275 V CB -0.384 31.387 31.823 -0.087 0.000 0.646 275 V HN 0.290 nan 8.190 nan 0.000 0.447 276 M N 0.201 119.826 119.600 0.042 0.000 2.159 276 M HA -0.136 4.347 4.480 0.005 0.000 0.263 276 M C 1.914 178.315 176.300 0.169 0.000 1.063 276 M CA 1.899 57.297 55.300 0.163 0.000 1.110 276 M CB -0.638 32.052 32.600 0.151 0.000 1.374 276 M HN 0.318 nan 8.290 nan 0.000 0.411 277 E N 0.037 120.312 120.200 0.124 0.000 2.072 277 E HA -0.143 4.210 4.350 0.005 0.000 0.191 277 E C 2.060 178.736 176.600 0.127 0.000 0.985 277 E CA 1.283 57.771 56.400 0.146 0.000 0.801 277 E CB -0.690 29.107 29.700 0.161 0.000 0.750 277 E HN 0.589 nan 8.360 nan 0.000 0.452 278 L N 0.499 121.739 121.223 0.028 0.000 1.990 278 L HA -0.237 4.107 4.340 0.005 0.000 0.213 278 L C 2.424 179.220 176.870 -0.123 0.000 1.072 278 L CA 2.236 56.923 54.840 -0.255 0.000 0.755 278 L CB -0.316 41.466 42.059 -0.461 0.000 0.889 278 L HN 0.317 nan 8.230 nan 0.000 0.432 279 E N -0.567 119.622 120.200 -0.018 0.000 2.285 279 E HA -0.199 4.155 4.350 0.005 0.000 0.194 279 E C 2.082 178.567 176.600 -0.193 0.000 0.997 279 E CA 0.454 56.828 56.400 -0.045 0.000 0.845 279 E CB 0.231 30.011 29.700 0.132 0.000 0.782 279 E HN 0.425 nan 8.360 nan 0.000 0.491 280 K N 0.585 120.981 120.400 -0.007 0.000 2.009 280 K HA -0.189 4.134 4.320 0.005 0.000 0.210 280 K C 2.048 178.628 176.600 -0.033 0.000 1.049 280 K CA 1.652 57.949 56.287 0.017 0.000 0.929 280 K CB -0.052 32.545 32.500 0.162 0.000 0.714 280 K HN 0.170 nan 8.250 nan 0.000 0.440 281 E N 0.658 120.864 120.200 0.010 0.000 2.085 281 E HA -0.199 4.154 4.350 0.005 0.000 0.194 281 E C 2.126 178.726 176.600 -0.000 0.000 0.994 281 E CA 1.135 57.550 56.400 0.025 0.000 0.801 281 E CB -0.175 29.570 29.700 0.074 0.000 0.743 281 E HN 0.330 nan 8.360 nan 0.000 0.453 282 I N 1.198 121.748 120.570 -0.034 0.000 2.163 282 I HA -0.287 3.886 4.170 0.005 0.000 0.243 282 I C 2.673 178.792 176.117 0.004 0.000 1.085 282 I CA 1.058 62.374 61.300 0.027 0.000 1.347 282 I CB -0.567 37.432 38.000 -0.002 0.000 1.044 282 I HN 0.063 nan 8.210 nan 0.000 0.408 283 A N 1.030 123.740 122.820 -0.184 0.000 1.883 283 A HA -0.286 4.038 4.320 0.005 0.000 0.217 283 A C 2.190 179.742 177.584 -0.054 0.000 1.186 283 A CA 2.217 54.113 52.037 -0.234 0.000 0.624 283 A CB -1.085 17.571 19.000 -0.572 0.000 0.822 283 A HN 0.566 nan 8.150 nan 0.000 0.444 284 N N 0.141 118.828 118.700 -0.021 0.000 2.309 284 N HA -0.085 4.658 4.740 0.005 0.000 0.182 284 N C 1.731 177.277 175.510 0.059 0.000 1.018 284 N CA 1.116 54.184 53.050 0.030 0.000 0.876 284 N CB -0.152 38.358 38.487 0.038 0.000 0.972 284 N HN 0.393 nan 8.380 nan 0.000 0.434 285 A N 0.528 123.402 122.820 0.089 0.000 2.067 285 A HA 0.003 4.326 4.320 0.005 0.000 0.217 285 A C 1.210 178.961 177.584 0.279 0.000 1.156 285 A CA 0.834 52.962 52.037 0.152 0.000 0.683 285 A CB -0.753 18.313 19.000 0.110 0.000 0.808 285 A HN 0.528 nan 8.150 nan 0.000 0.455 286 T N -1.305 113.371 114.554 0.203 0.000 2.900 286 T HA 0.514 4.867 4.350 0.005 0.000 0.307 286 T C 0.256 174.993 174.700 0.062 0.000 1.065 286 T CA -0.252 61.894 62.100 0.077 0.000 1.105 286 T CB 0.958 69.780 68.868 -0.077 0.000 0.979 286 T HN 0.746 nan 8.240 nan 0.000 0.544 287 A N 2.591 125.432 122.820 0.035 0.000 2.388 287 A HA 0.433 4.756 4.320 0.005 0.000 0.257 287 A C 0.536 178.126 177.584 0.010 0.000 1.095 287 A CA -0.795 51.261 52.037 0.032 0.000 0.791 287 A CB 0.033 19.053 19.000 0.033 0.000 1.029 287 A HN 0.909 nan 8.150 nan 0.000 0.489 288 K N 2.350 122.760 120.400 0.016 0.000 2.319 288 K HA 0.163 4.487 4.320 0.005 0.000 0.265 288 K C -1.722 174.879 176.600 0.002 0.000 1.000 288 K CA -1.231 55.063 56.287 0.012 0.000 0.943 288 K CB 0.373 32.883 32.500 0.016 0.000 0.950 288 K HN 0.379 nan 8.250 nan 0.000 0.485 289 P HA -0.169 nan 4.420 nan 0.000 0.218 289 P C 0.205 177.499 177.300 -0.010 0.000 1.148 289 P CA 1.325 64.420 63.100 -0.008 0.000 0.822 289 P CB 0.238 31.937 31.700 -0.002 0.000 0.784 290 E N -0.715 119.482 120.200 -0.005 0.000 2.268 290 E HA -0.121 4.232 4.350 0.005 0.000 0.195 290 E C 0.906 177.502 176.600 -0.008 0.000 0.995 290 E CA 0.890 57.285 56.400 -0.008 0.000 0.836 290 E CB -0.516 29.181 29.700 -0.005 0.000 0.763 290 E HN 0.303 nan 8.360 nan 0.000 0.491 291 D N -0.521 119.877 120.400 -0.003 0.000 2.368 291 D HA 0.106 4.750 4.640 0.005 0.000 0.218 291 D C 0.623 176.921 176.300 -0.004 0.000 1.112 291 D CA 0.169 54.169 54.000 0.001 0.000 0.834 291 D CB 0.411 41.218 40.800 0.011 0.000 0.953 291 D HN 0.050 nan 8.370 nan 0.000 0.505 292 R N 0.470 120.960 120.500 -0.016 0.000 2.549 292 R HA 0.071 4.415 4.340 0.005 0.000 0.344 292 R C 0.977 177.253 176.300 -0.039 0.000 0.979 292 R CA -0.034 56.045 56.100 -0.034 0.000 1.140 292 R CB 0.377 30.648 30.300 -0.049 0.000 1.377 292 R HN -0.021 nan 8.270 nan 0.000 0.541 293 N N -0.105 118.581 118.700 -0.022 0.000 2.336 293 N HA -0.068 4.675 4.740 0.005 0.000 0.189 293 N C -0.376 175.131 175.510 -0.005 0.000 1.113 293 N CA 0.334 53.376 53.050 -0.014 0.000 0.858 293 N CB 0.372 38.851 38.487 -0.013 0.000 0.970 293 N HN -0.049 nan 8.380 nan 0.000 0.471 294 D N 1.375 121.769 120.400 -0.009 0.000 2.461 294 D HA 0.251 4.894 4.640 0.005 0.000 0.240 294 D C -1.752 174.552 176.300 0.007 0.000 1.094 294 D CA -2.069 51.924 54.000 -0.011 0.000 0.868 294 D CB 2.067 42.854 40.800 -0.021 0.000 1.062 294 D HN -0.049 nan 8.370 nan 0.000 0.530 295 P HA -0.132 nan 4.420 nan 0.000 0.218 295 P C 1.734 179.066 177.300 0.053 0.000 1.149 295 P CA 0.637 63.781 63.100 0.074 0.000 0.817 295 P CB 0.352 32.144 31.700 0.154 0.000 0.785 296 M N -0.920 118.666 119.600 -0.023 0.000 2.159 296 M HA -0.056 4.427 4.480 0.005 0.000 0.263 296 M C 2.296 178.626 176.300 0.050 0.000 1.063 296 M CA 1.310 56.595 55.300 -0.025 0.000 1.110 296 M CB -1.330 31.223 32.600 -0.078 0.000 1.374 296 M HN -0.007 nan 8.290 nan 0.000 0.411 297 L N -0.897 120.350 121.223 0.040 0.000 2.156 297 L HA -0.148 4.195 4.340 0.005 0.000 0.208 297 L C 2.334 179.263 176.870 0.098 0.000 1.095 297 L CA 0.594 55.468 54.840 0.057 0.000 0.770 297 L CB -0.417 41.659 42.059 0.029 0.000 0.914 297 L HN 0.283 nan 8.230 nan 0.000 0.439 298 L N -1.135 120.156 121.223 0.113 0.000 2.240 298 L HA -0.126 4.217 4.340 0.005 0.000 0.211 298 L C 0.648 177.705 176.870 0.311 0.000 1.106 298 L CA 0.506 55.432 54.840 0.143 0.000 0.793 298 L CB -0.059 41.996 42.059 -0.007 0.000 0.927 298 L HN 0.186 nan 8.230 nan 0.000 0.446 299 Y N 2.531 122.940 120.300 0.182 0.000 2.585 299 Y HA 0.127 4.681 4.550 0.006 0.000 0.354 299 Y C -0.144 175.804 175.900 0.080 0.000 1.024 299 Y CA -0.386 57.822 58.100 0.181 0.000 1.321 299 Y CB -0.079 38.450 38.460 0.116 0.000 1.151 299 Y HN 0.079 nan 8.280 nan 0.000 0.525 300 N N 6.918 125.540 118.700 -0.130 0.000 2.626 300 N HA 0.114 4.857 4.740 0.005 0.000 0.249 300 N C -1.211 174.129 175.510 -0.284 0.000 1.021 300 N CA -0.642 52.343 53.050 -0.108 0.000 0.886 300 N CB 1.521 40.000 38.487 -0.013 0.000 1.149 300 N HN 0.566 nan 8.380 nan 0.000 0.517 301 K N 3.046 123.283 120.400 -0.273 0.000 2.285 301 K HA 0.370 4.693 4.320 0.005 0.000 0.286 301 K C -0.571 175.951 176.600 -0.129 0.000 1.072 301 K CA -0.004 56.117 56.287 -0.275 0.000 0.913 301 K CB 0.743 33.145 32.500 -0.163 0.000 1.067 301 K HN 0.403 nan 8.250 nan 0.000 0.479 302 M N 1.759 121.272 119.600 -0.144 0.000 2.796 302 M HA 0.281 4.765 4.480 0.005 0.000 0.303 302 M C -0.214 176.029 176.300 -0.095 0.000 1.240 302 M CA -0.831 54.414 55.300 -0.091 0.000 0.831 302 M CB 2.347 34.905 32.600 -0.071 0.000 1.750 302 M HN 0.702 nan 8.290 nan 0.000 0.484 303 T N -1.385 113.127 114.554 -0.070 0.000 2.928 303 T HA 0.409 4.763 4.350 0.005 0.000 0.284 303 T C 1.030 175.691 174.700 -0.065 0.000 1.008 303 T CA -0.877 61.186 62.100 -0.062 0.000 1.057 303 T CB 0.682 69.526 68.868 -0.040 0.000 1.018 303 T HN 0.631 nan 8.240 nan 0.000 0.493 304 L N 1.215 122.410 121.223 -0.047 0.000 2.129 304 L HA -0.161 4.182 4.340 0.005 0.000 0.212 304 L C 3.053 179.920 176.870 -0.006 0.000 1.087 304 L CA 1.785 56.613 54.840 -0.020 0.000 0.757 304 L CB -1.043 41.038 42.059 0.037 0.000 0.896 304 L HN 0.996 nan 8.230 nan 0.000 0.434 305 A N -0.218 122.599 122.820 -0.006 0.000 1.851 305 A HA -0.268 4.055 4.320 0.005 0.000 0.216 305 A C 2.132 179.699 177.584 -0.028 0.000 1.195 305 A CA 1.675 53.711 52.037 -0.002 0.000 0.622 305 A CB -0.597 18.399 19.000 -0.006 0.000 0.831 305 A HN 0.490 nan 8.150 nan 0.000 0.444 306 Q N -0.493 119.278 119.800 -0.049 0.000 2.096 306 Q HA -0.213 4.131 4.340 0.005 0.000 0.208 306 Q C 2.154 178.091 176.000 -0.106 0.000 0.993 306 Q CA 1.780 57.537 55.803 -0.075 0.000 0.862 306 Q CB -0.507 28.191 28.738 -0.068 0.000 0.915 306 Q HN 0.751 nan 8.270 nan 0.000 0.416 307 I N 0.519 121.024 120.570 -0.108 0.000 2.179 307 I HA -0.296 3.877 4.170 0.005 0.000 0.242 307 I C 2.617 178.613 176.117 -0.203 0.000 1.088 307 I CA 1.258 62.454 61.300 -0.173 0.000 1.357 307 I CB -0.253 37.497 38.000 -0.417 0.000 1.051 307 I HN 0.224 nan 8.210 nan 0.000 0.409 308 Q N 1.205 120.960 119.800 -0.076 0.000 2.135 308 Q HA -0.227 4.116 4.340 0.005 0.000 0.204 308 Q C 1.736 177.791 176.000 0.092 0.000 0.981 308 Q CA 1.926 57.820 55.803 0.151 0.000 0.856 308 Q CB -0.197 28.655 28.738 0.189 0.000 0.902 308 Q HN 0.373 nan 8.270 nan 0.000 0.425 309 N N -0.788 117.905 118.700 -0.012 0.000 2.415 309 N HA 0.033 4.776 4.740 0.005 0.000 0.176 309 N C 0.455 175.886 175.510 -0.131 0.000 1.042 309 N CA 0.575 53.599 53.050 -0.042 0.000 0.902 309 N CB 0.265 38.722 38.487 -0.049 0.000 0.986 309 N HN 0.210 nan 8.380 nan 0.000 0.447 310 N N -0.949 117.588 118.700 -0.272 0.000 2.250 310 N HA 0.132 4.875 4.740 0.005 0.000 0.190 310 N C -0.857 174.139 175.510 -0.857 0.000 1.116 310 N CA 0.299 52.993 53.050 -0.593 0.000 0.881 310 N CB 0.610 38.605 38.487 -0.820 0.000 1.006 310 N HN 0.071 nan 8.380 nan 0.000 0.491 311 F N 0.828 120.761 119.950 -0.028 0.000 2.593 311 F HA 0.267 4.797 4.527 0.005 0.000 0.336 311 F C 0.189 176.133 175.800 0.239 0.000 1.491 311 F CA -1.309 56.711 58.000 0.033 0.000 1.114 311 F CB 0.091 39.041 39.000 -0.083 0.000 1.468 311 F HN -0.232 nan 8.300 nan 0.000 0.579 312 S N 1.170 117.052 115.700 0.303 0.000 2.565 312 S HA 0.783 5.257 4.470 0.005 0.000 0.276 312 S C -0.498 174.251 174.600 0.249 0.000 1.326 312 S CA -0.439 57.955 58.200 0.324 0.000 1.045 312 S CB 1.430 64.743 63.200 0.189 0.000 0.918 312 S HN 0.406 nan 8.310 nan 0.000 0.505 313 L N 1.344 122.693 121.223 0.210 0.000 2.354 313 L HA 0.610 4.953 4.340 0.005 0.000 0.264 313 L C -0.253 176.668 176.870 0.084 0.000 1.008 313 L CA -0.600 54.269 54.840 0.048 0.000 0.819 313 L CB 2.133 44.066 42.059 -0.210 0.000 1.339 313 L HN 0.868 nan 8.230 nan 0.000 0.420 314 E N 2.561 122.794 120.200 0.055 0.000 2.267 314 E HA 0.475 4.828 4.350 0.005 0.000 0.248 314 E C -1.543 175.103 176.600 0.077 0.000 0.899 314 E CA -0.611 55.838 56.400 0.080 0.000 0.764 314 E CB 1.064 30.806 29.700 0.070 0.000 1.227 314 E HN 0.314 nan 8.360 nan 0.000 0.421 315 I N 4.248 124.887 120.570 0.115 0.000 2.359 315 I HA 0.227 4.401 4.170 0.005 0.000 0.294 315 I C 1.087 177.321 176.117 0.196 0.000 0.987 315 I CA -0.465 60.927 61.300 0.154 0.000 1.225 315 I CB 0.906 39.025 38.000 0.198 0.000 1.366 315 I HN 0.855 nan 8.210 nan 0.000 0.466 316 N N 4.167 122.965 118.700 0.163 0.000 2.650 316 N HA -0.229 4.515 4.740 0.005 0.000 0.249 316 N C 0.694 176.277 175.510 0.123 0.000 1.155 316 N CA 0.740 53.874 53.050 0.140 0.000 0.747 316 N CB -0.330 38.286 38.487 0.214 0.000 1.132 316 N HN 1.214 nan 8.380 nan 0.000 0.564 317 G N 0.240 109.104 108.800 0.106 0.000 2.473 317 G HA2 -0.274 3.689 3.960 0.005 0.000 0.289 317 G HA3 -0.274 3.689 3.960 0.005 0.000 0.289 317 G C 0.560 175.516 174.900 0.094 0.000 1.084 317 G CA 0.514 45.665 45.100 0.085 0.000 1.215 317 G HN 0.336 nan 8.290 nan 0.000 0.527 318 K N 0.223 120.685 120.400 0.103 0.000 2.049 318 K HA 0.228 4.551 4.320 0.005 0.000 0.214 318 K C -0.003 176.636 176.600 0.064 0.000 1.026 318 K CA 1.479 57.817 56.287 0.084 0.000 0.954 318 K CB -0.741 31.813 32.500 0.091 0.000 0.838 318 K HN 0.558 nan 8.250 nan 0.000 0.450 319 P HA 0.189 nan 4.420 nan 0.000 0.341 319 P C -0.789 176.572 177.300 0.101 0.000 1.297 319 P CA -0.522 62.640 63.100 0.104 0.000 0.761 319 P CB 0.324 32.090 31.700 0.110 0.000 1.574 320 F N 0.223 120.143 119.950 -0.051 0.000 2.410 320 F HA 0.425 4.955 4.527 0.006 0.000 0.349 320 F C 0.224 175.934 175.800 -0.149 0.000 1.117 320 F CA -0.284 57.618 58.000 -0.163 0.000 1.104 320 F CB 1.126 39.950 39.000 -0.294 0.000 1.122 320 F HN 0.100 nan 8.300 nan 0.000 0.483 321 S N 6.216 121.508 115.700 -0.679 0.000 2.461 321 S HA 0.175 4.649 4.470 0.005 0.000 0.322 321 S C 0.398 174.731 174.600 -0.444 0.000 1.063 321 S CA -0.632 57.358 58.200 -0.351 0.000 1.120 321 S CB 0.144 63.217 63.200 -0.212 0.000 0.968 321 S HN 0.858 nan 8.310 nan 0.000 0.467 322 W N 3.991 125.266 121.300 -0.042 0.000 2.388 322 W HA -0.035 4.628 4.660 0.004 0.000 0.294 322 W C 1.973 178.537 176.519 0.076 0.000 1.212 322 W CA 0.206 57.644 57.345 0.155 0.000 1.271 322 W CB -0.250 29.359 29.460 0.247 0.000 1.126 322 W HN 0.638 nan 8.180 nan 0.000 0.535 323 L N 1.177 122.534 121.223 0.224 0.000 2.043 323 L HA -0.266 4.078 4.340 0.005 0.000 0.212 323 L C 2.044 178.924 176.870 0.017 0.000 1.075 323 L CA 2.124 57.022 54.840 0.097 0.000 0.752 323 L CB -1.315 40.781 42.059 0.060 0.000 0.891 323 L HN 0.139 nan 8.230 nan 0.000 0.432 324 N N -1.161 117.515 118.700 -0.040 0.000 2.148 324 N HA -0.232 4.511 4.740 0.005 0.000 0.186 324 N C 2.239 177.698 175.510 -0.084 0.000 1.031 324 N CA 1.275 54.274 53.050 -0.086 0.000 0.848 324 N CB -0.311 38.092 38.487 -0.140 0.000 1.005 324 N HN 0.429 nan 8.380 nan 0.000 0.427 325 F N 1.861 121.623 119.950 -0.315 0.000 2.063 325 F HA -0.273 4.256 4.527 0.004 0.000 0.298 325 F C 2.284 178.036 175.800 -0.079 0.000 1.109 325 F CA 1.986 59.831 58.000 -0.258 0.000 1.212 325 F CB -0.561 38.207 39.000 -0.386 0.000 0.973 325 F HN -0.001 nan 8.300 nan 0.000 0.480 326 T N 0.630 115.039 114.554 -0.241 0.000 2.812 326 T HA -0.144 4.210 4.350 0.005 0.000 0.264 326 T C 1.640 176.211 174.700 -0.214 0.000 1.042 326 T CA 1.318 63.229 62.100 -0.315 0.000 1.140 326 T CB -0.331 68.497 68.868 -0.067 0.000 0.870 326 T HN 0.306 nan 8.240 nan 0.000 0.445 327 N N 1.132 119.757 118.700 -0.125 0.000 2.244 327 N HA -0.050 4.693 4.740 0.005 0.000 0.183 327 N C 1.812 177.258 175.510 -0.107 0.000 1.016 327 N CA 0.769 53.761 53.050 -0.097 0.000 0.866 327 N CB -0.120 38.331 38.487 -0.061 0.000 0.980 327 N HN 0.447 nan 8.380 nan 0.000 0.430 328 E N 0.516 120.644 120.200 -0.119 0.000 2.347 328 E HA -0.014 4.339 4.350 0.005 0.000 0.196 328 E C 1.881 178.415 176.600 -0.111 0.000 1.008 328 E CA 0.220 56.566 56.400 -0.090 0.000 0.852 328 E CB 0.196 29.860 29.700 -0.060 0.000 0.783 328 E HN 0.438 nan 8.360 nan 0.000 0.505 329 I N 0.332 120.788 120.570 -0.191 0.000 2.260 329 I HA -0.200 3.973 4.170 0.005 0.000 0.237 329 I C 2.288 178.323 176.117 -0.137 0.000 1.075 329 I CA 0.650 61.839 61.300 -0.184 0.000 1.376 329 I CB -0.116 37.706 38.000 -0.295 0.000 1.107 329 I HN 0.068 nan 8.210 nan 0.000 0.420 330 M N 0.605 120.122 119.600 -0.139 0.000 2.296 330 M HA -0.097 4.386 4.480 0.005 0.000 0.265 330 M C 2.586 178.837 176.300 -0.083 0.000 1.064 330 M CA 1.367 56.605 55.300 -0.105 0.000 1.109 330 M CB -1.417 31.125 32.600 -0.097 0.000 1.396 330 M HN 0.358 nan 8.290 nan 0.000 0.430 331 S N -0.859 114.794 115.700 -0.078 0.000 2.462 331 S HA -0.145 4.329 4.470 0.005 0.000 0.243 331 S C 1.803 176.367 174.600 -0.060 0.000 1.003 331 S CA 1.805 59.969 58.200 -0.060 0.000 0.970 331 S CB -0.887 62.282 63.200 -0.053 0.000 0.762 331 S HN 0.444 nan 8.310 nan 0.000 0.510 332 T N 0.854 115.365 114.554 -0.071 0.000 3.023 332 T HA 0.164 4.518 4.350 0.005 0.000 0.266 332 T C 0.758 175.414 174.700 -0.073 0.000 1.093 332 T CA 0.951 63.008 62.100 -0.073 0.000 1.129 332 T CB -0.067 68.748 68.868 -0.088 0.000 0.899 332 T HN 0.323 nan 8.240 nan 0.000 0.491 333 V N 2.858 122.728 119.914 -0.073 0.000 2.854 333 V HA 0.306 4.429 4.120 0.005 0.000 0.366 333 V C 0.532 176.593 176.094 -0.056 0.000 1.322 333 V CA -0.443 61.815 62.300 -0.070 0.000 1.243 333 V CB -0.659 31.115 31.823 -0.082 0.000 1.337 333 V HN 0.535 nan 8.190 nan 0.000 0.585 334 N N 1.905 120.576 118.700 -0.049 0.000 2.705 334 N HA -0.201 4.542 4.740 0.005 0.000 0.255 334 N C -0.492 174.995 175.510 -0.039 0.000 1.008 334 N CA 0.572 53.598 53.050 -0.040 0.000 0.742 334 N CB -0.361 38.105 38.487 -0.034 0.000 0.906 334 N HN 0.556 nan 8.380 nan 0.000 0.541 335 I N 0.971 121.514 120.570 -0.045 0.000 2.545 335 I HA 0.231 4.404 4.170 0.005 0.000 0.292 335 I C 0.147 176.239 176.117 -0.042 0.000 1.040 335 I CA -0.735 60.540 61.300 -0.042 0.000 1.068 335 I CB 2.092 40.064 38.000 -0.047 0.000 1.251 335 I HN 0.142 nan 8.210 nan 0.000 0.424 336 S N 6.488 122.167 115.700 -0.035 0.000 2.472 336 S HA 0.681 5.154 4.470 0.005 0.000 0.303 336 S C -0.768 173.814 174.600 -0.030 0.000 1.099 336 S CA -0.771 57.410 58.200 -0.032 0.000 1.077 336 S CB 1.904 65.090 63.200 -0.025 0.000 1.031 336 S HN 0.334 nan 8.310 nan 0.000 0.487 337 I N 2.900 123.452 120.570 -0.030 0.000 2.382 337 I HA 0.295 4.469 4.170 0.005 0.000 0.286 337 I C 0.067 176.175 176.117 -0.016 0.000 1.002 337 I CA -0.398 60.886 61.300 -0.027 0.000 1.135 337 I CB 1.153 39.133 38.000 -0.034 0.000 1.288 337 I HN 0.688 nan 8.210 nan 0.000 0.448 338 T N 5.144 119.690 114.554 -0.013 0.000 2.761 338 T HA 0.120 4.474 4.350 0.005 0.000 0.296 338 T C 1.369 176.069 174.700 -0.000 0.000 0.934 338 T CA -0.213 61.883 62.100 -0.007 0.000 1.091 338 T CB 0.040 68.902 68.868 -0.009 0.000 0.896 338 T HN 0.472 nan 8.240 nan 0.000 0.515 339 N N 1.831 120.537 118.700 0.010 0.000 2.567 339 N HA -0.182 4.561 4.740 0.005 0.000 0.198 339 N C 0.814 176.329 175.510 0.007 0.000 1.054 339 N CA 0.910 53.973 53.050 0.021 0.000 0.924 339 N CB 0.096 38.600 38.487 0.027 0.000 0.945 339 N HN 0.645 nan 8.380 nan 0.000 0.452 340 E N -0.228 119.970 120.200 -0.003 0.000 2.496 340 E HA 0.064 4.417 4.350 0.005 0.000 0.200 340 E C -0.487 176.101 176.600 -0.019 0.000 1.016 340 E CA -0.174 56.219 56.400 -0.011 0.000 0.962 340 E CB 0.513 30.207 29.700 -0.010 0.000 1.071 340 E HN 0.272 nan 8.360 nan 0.000 0.457 341 E N 1.846 122.034 120.200 -0.021 0.000 2.360 341 E HA 0.008 4.361 4.350 0.005 0.000 0.269 341 E C -0.574 175.995 176.600 -0.051 0.000 1.022 341 E CA -0.267 56.114 56.400 -0.033 0.000 0.887 341 E CB 0.484 30.165 29.700 -0.031 0.000 0.990 341 E HN -0.111 nan 8.360 nan 0.000 0.426 342 D N 2.762 123.126 120.400 -0.060 0.000 2.351 342 D HA 0.249 4.893 4.640 0.005 0.000 0.251 342 D C -0.935 175.284 176.300 -0.136 0.000 1.137 342 D CA -0.021 53.927 54.000 -0.086 0.000 0.879 342 D CB 1.140 41.898 40.800 -0.069 0.000 1.181 342 D HN 0.126 nan 8.370 nan 0.000 0.448 343 V N 2.513 122.315 119.914 -0.188 0.000 2.841 343 V HA 0.270 4.393 4.120 0.005 0.000 0.310 343 V C -0.126 175.728 176.094 -0.399 0.000 1.090 343 V CA -0.946 61.191 62.300 -0.273 0.000 0.930 343 V CB 2.402 34.094 31.823 -0.218 0.000 1.014 343 V HN 0.212 nan 8.190 nan 0.000 0.425 344 V N 4.699 124.243 119.914 -0.616 0.000 2.383 344 V HA 0.375 4.498 4.120 0.005 0.000 0.275 344 V C -0.148 175.540 176.094 -0.678 0.000 1.036 344 V CA -0.385 61.426 62.300 -0.814 0.000 0.889 344 V CB 1.632 32.712 31.823 -1.238 0.000 0.985 344 V HN 0.610 nan 8.190 nan 0.000 0.459 345 V N 6.492 126.132 119.914 -0.458 0.000 2.313 345 V HA 0.270 4.393 4.120 0.005 0.000 0.278 345 V C 0.161 176.198 176.094 -0.095 0.000 1.017 345 V CA -0.392 61.734 62.300 -0.289 0.000 0.823 345 V CB 0.957 32.624 31.823 -0.260 0.000 1.010 345 V HN 0.811 nan 8.190 nan 0.000 0.443 346 Y N 3.186 123.442 120.300 -0.073 0.000 2.517 346 Y HA 0.393 4.946 4.550 0.006 0.000 0.281 346 Y C 1.497 177.396 175.900 -0.000 0.000 1.125 346 Y CA 0.135 58.239 58.100 0.007 0.000 1.283 346 Y CB 0.419 38.944 38.460 0.108 0.000 1.042 346 Y HN 0.657 nan 8.280 nan 0.000 0.547 347 A N -0.221 122.669 122.820 0.116 0.000 3.415 347 A HA 0.359 4.682 4.320 0.005 0.000 0.244 347 A C -1.889 175.682 177.584 -0.020 0.000 0.988 347 A CA -0.821 51.262 52.037 0.077 0.000 0.991 347 A CB 0.079 19.134 19.000 0.093 0.000 1.240 347 A HN -0.063 nan 8.150 nan 0.000 0.541 348 P HA -0.244 nan 4.420 nan 0.000 0.214 348 P C 1.116 178.397 177.300 -0.032 0.000 1.163 348 P CA 1.563 64.516 63.100 -0.246 0.000 0.889 348 P CB 0.191 31.938 31.700 0.077 0.000 0.790 349 E N -1.379 118.871 120.200 0.084 0.000 2.160 349 E HA -0.218 4.135 4.350 0.005 0.000 0.195 349 E C 2.198 178.859 176.600 0.102 0.000 0.991 349 E CA 1.021 57.489 56.400 0.113 0.000 0.810 349 E CB -0.659 29.102 29.700 0.103 0.000 0.742 349 E HN 0.423 nan 8.360 nan 0.000 0.466 350 Y N 1.418 121.709 120.300 -0.015 0.000 2.243 350 Y HA -0.062 4.491 4.550 0.006 0.000 0.293 350 Y C 2.029 177.920 175.900 -0.014 0.000 1.124 350 Y CA 0.870 58.963 58.100 -0.010 0.000 1.159 350 Y CB -0.116 38.336 38.460 -0.013 0.000 1.008 350 Y HN -0.118 nan 8.280 nan 0.000 0.527 351 L N -0.294 120.832 121.223 -0.162 0.000 2.042 351 L HA -0.248 4.095 4.340 0.005 0.000 0.210 351 L C 2.385 179.214 176.870 -0.069 0.000 1.076 351 L CA 1.917 56.634 54.840 -0.205 0.000 0.749 351 L CB -1.059 40.824 42.059 -0.294 0.000 0.893 351 L HN 0.237 nan 8.230 nan 0.000 0.432 352 T N -0.278 114.317 114.554 0.068 0.000 2.684 352 T HA -0.213 4.140 4.350 0.005 0.000 0.267 352 T C 1.903 176.610 174.700 0.012 0.000 1.036 352 T CA 1.449 63.631 62.100 0.138 0.000 1.148 352 T CB -0.111 68.867 68.868 0.183 0.000 0.863 352 T HN 0.298 nan 8.240 nan 0.000 0.436 353 K N 0.352 120.719 120.400 -0.053 0.000 2.211 353 K HA 0.043 4.367 4.320 0.005 0.000 0.203 353 K C 2.114 178.631 176.600 -0.138 0.000 1.050 353 K CA 0.544 56.787 56.287 -0.072 0.000 0.945 353 K CB -0.276 32.195 32.500 -0.050 0.000 0.732 353 K HN 0.118 nan 8.250 nan 0.000 0.451 354 L N 2.178 123.232 121.223 -0.281 0.000 2.079 354 L HA -0.190 4.154 4.340 0.005 0.000 0.210 354 L C 2.255 179.045 176.870 -0.134 0.000 1.081 354 L CA 1.717 56.376 54.840 -0.301 0.000 0.752 354 L CB -0.407 41.371 42.059 -0.468 0.000 0.896 354 L HN 0.078 nan 8.230 nan 0.000 0.433 355 K N -0.202 120.153 120.400 -0.076 0.000 2.001 355 K HA -0.171 4.152 4.320 0.005 0.000 0.214 355 K C -0.516 176.081 176.600 -0.005 0.000 1.050 355 K CA 2.013 58.288 56.287 -0.021 0.000 0.934 355 K CB -1.212 31.303 32.500 0.024 0.000 0.718 355 K HN 0.281 nan 8.250 nan 0.000 0.443 356 P HA -0.161 nan 4.420 nan 0.000 0.218 356 P C 1.502 178.819 177.300 0.029 0.000 1.148 356 P CA 1.429 64.536 63.100 0.012 0.000 0.822 356 P CB -0.087 31.618 31.700 0.009 0.000 0.784 357 I N -1.230 119.359 120.570 0.031 0.000 2.235 357 I HA -0.161 4.013 4.170 0.005 0.000 0.241 357 I C 2.253 178.481 176.117 0.185 0.000 1.085 357 I CA 0.823 62.185 61.300 0.103 0.000 1.378 357 I CB -0.694 37.340 38.000 0.057 0.000 1.076 357 I HN -0.154 nan 8.210 nan 0.000 0.415 358 L N 0.795 122.075 121.223 0.094 0.000 2.191 358 L HA -0.153 4.191 4.340 0.005 0.000 0.212 358 L C 2.800 179.756 176.870 0.144 0.000 1.103 358 L CA 2.221 57.130 54.840 0.116 0.000 0.769 358 L CB -1.546 40.512 42.059 -0.002 0.000 0.908 358 L HN 0.432 nan 8.230 nan 0.000 0.438 359 T N -4.032 110.571 114.554 0.083 0.000 3.051 359 T HA -0.156 4.197 4.350 0.005 0.000 0.269 359 T C 1.565 176.279 174.700 0.023 0.000 1.127 359 T CA 0.858 62.989 62.100 0.051 0.000 1.107 359 T CB -0.215 68.670 68.868 0.029 0.000 0.898 359 T HN 0.343 nan 8.240 nan 0.000 0.517 360 K N -0.468 119.936 120.400 0.006 0.000 2.393 360 K HA 0.206 4.529 4.320 0.005 0.000 0.193 360 K C -0.564 175.841 176.600 -0.326 0.000 1.026 360 K CA 0.056 56.233 56.287 -0.183 0.000 1.064 360 K CB 0.269 32.588 32.500 -0.301 0.000 0.833 360 K HN 0.430 nan 8.250 nan 0.000 0.521 361 Y N 0.939 121.226 120.300 -0.023 0.000 2.468 361 Y HA 0.132 4.685 4.550 0.005 0.000 0.342 361 Y C 0.678 176.544 175.900 -0.057 0.000 1.021 361 Y CA -1.197 56.880 58.100 -0.039 0.000 1.079 361 Y CB 1.528 39.967 38.460 -0.035 0.000 1.226 361 Y HN -0.087 nan 8.280 nan 0.000 0.460 362 S N 0.675 116.412 115.700 0.061 0.000 2.593 362 S HA 0.351 4.825 4.470 0.005 0.000 0.269 362 S C 1.246 175.753 174.600 -0.156 0.000 1.334 362 S CA -0.270 57.902 58.200 -0.046 0.000 1.015 362 S CB 1.277 64.431 63.200 -0.075 0.000 0.912 362 S HN 0.907 nan 8.310 nan 0.000 0.541 363 A N 1.690 124.315 122.820 -0.324 0.000 1.948 363 A HA -0.193 4.131 4.320 0.005 0.000 0.220 363 A C 2.277 179.397 177.584 -0.773 0.000 1.177 363 A CA 1.915 53.420 52.037 -0.886 0.000 0.636 363 A CB -0.958 17.318 19.000 -1.206 0.000 0.815 363 A HN 0.997 nan 8.150 nan 0.000 0.449 364 R N -0.390 119.777 120.500 -0.556 0.000 2.096 364 R HA -0.165 4.178 4.340 0.005 0.000 0.235 364 R C 1.323 177.323 176.300 -0.501 0.000 1.127 364 R CA 1.867 57.499 56.100 -0.780 0.000 0.968 364 R CB -0.494 29.519 30.300 -0.478 0.000 0.861 364 R HN 0.420 nan 8.270 nan 0.000 0.440 365 D N 1.004 121.247 120.400 -0.262 0.000 2.097 365 D HA -0.161 4.482 4.640 0.005 0.000 0.195 365 D C 2.097 178.324 176.300 -0.122 0.000 0.989 365 D CA 1.445 55.373 54.000 -0.120 0.000 0.827 365 D CB -0.185 40.666 40.800 0.085 0.000 0.966 365 D HN 0.314 nan 8.370 nan 0.000 0.456 366 L N 0.172 121.326 121.223 -0.115 0.000 2.093 366 L HA -0.161 4.183 4.340 0.005 0.000 0.208 366 L C 2.488 179.398 176.870 0.066 0.000 1.085 366 L CA 0.851 55.683 54.840 -0.012 0.000 0.755 366 L CB -0.273 41.849 42.059 0.105 0.000 0.904 366 L HN -0.030 nan 8.230 nan 0.000 0.435 367 Q N 0.342 120.145 119.800 0.006 0.000 2.245 367 Q HA -0.106 4.237 4.340 0.005 0.000 0.201 367 Q C 1.785 177.857 176.000 0.120 0.000 0.955 367 Q CA 1.310 57.194 55.803 0.135 0.000 0.870 367 Q CB -0.101 28.714 28.738 0.128 0.000 0.945 367 Q HN 0.440 nan 8.270 nan 0.000 0.461 368 N N -0.759 117.934 118.700 -0.012 0.000 2.104 368 N HA -0.184 4.559 4.740 0.005 0.000 0.190 368 N C 1.408 177.125 175.510 0.346 0.000 1.024 368 N CA 1.129 54.274 53.050 0.159 0.000 0.853 368 N CB -0.082 38.348 38.487 -0.095 0.000 1.008 368 N HN 0.222 nan 8.380 nan 0.000 0.424 369 L N 0.830 122.161 121.223 0.180 0.000 2.044 369 L HA -0.016 4.327 4.340 0.005 0.000 0.205 369 L C 2.027 179.030 176.870 0.221 0.000 1.075 369 L CA 1.455 56.422 54.840 0.210 0.000 0.747 369 L CB -0.484 41.636 42.059 0.101 0.000 0.903 369 L HN 0.185 nan 8.230 nan 0.000 0.435 370 M N -1.052 118.654 119.600 0.177 0.000 2.067 370 M HA -0.211 4.272 4.480 0.005 0.000 0.260 370 M C 2.274 178.647 176.300 0.122 0.000 1.069 370 M CA 2.182 57.574 55.300 0.152 0.000 1.117 370 M CB -0.321 32.392 32.600 0.189 0.000 1.334 370 M HN 0.255 nan 8.290 nan 0.000 0.407 371 S N -0.649 115.128 115.700 0.128 0.000 2.387 371 S HA -0.148 4.326 4.470 0.005 0.000 0.226 371 S C 1.412 175.833 174.600 -0.298 0.000 1.026 371 S CA 0.741 58.928 58.200 -0.021 0.000 0.972 371 S CB -0.453 62.758 63.200 0.018 0.000 0.814 371 S HN 0.652 nan 8.310 nan 0.000 0.477 372 W N 2.636 123.639 121.300 -0.494 0.000 2.342 372 W HA -0.158 4.505 4.660 0.005 0.000 0.297 372 W C 1.599 177.944 176.519 -0.290 0.000 1.213 372 W CA 0.964 57.975 57.345 -0.556 0.000 1.251 372 W CB -0.126 29.216 29.460 -0.197 0.000 1.136 372 W HN 0.182 nan 8.180 nan 0.000 0.526 373 R N -0.423 119.935 120.500 -0.237 0.000 2.189 373 R HA -0.130 4.213 4.340 0.005 0.000 0.218 373 R C 1.929 178.121 176.300 -0.180 0.000 1.074 373 R CA 0.928 56.877 56.100 -0.253 0.000 0.991 373 R CB -1.177 29.118 30.300 -0.008 0.000 0.883 373 R HN 0.252 nan 8.270 nan 0.000 0.457 374 F N 0.835 120.585 119.950 -0.333 0.000 2.188 374 F HA 0.101 4.632 4.527 0.006 0.000 0.289 374 F C 2.020 177.584 175.800 -0.395 0.000 1.082 374 F CA 0.212 58.036 58.000 -0.293 0.000 1.282 374 F CB -0.572 38.287 39.000 -0.236 0.000 1.060 374 F HN -0.227 nan 8.300 nan 0.000 0.493 375 I N -0.014 120.225 120.570 -0.551 0.000 2.208 375 I HA -0.387 3.786 4.170 0.005 0.000 0.245 375 I C 2.653 178.337 176.117 -0.721 0.000 1.097 375 I CA 1.493 62.381 61.300 -0.687 0.000 1.363 375 I CB -0.496 37.068 38.000 -0.727 0.000 1.051 375 I HN 0.190 nan 8.210 nan 0.000 0.413 376 M N 0.434 119.377 119.600 -1.095 0.000 2.190 376 M HA -0.369 4.114 4.480 0.005 0.000 0.252 376 M C 1.528 177.587 176.300 -0.402 0.000 1.076 376 M CA 2.262 56.919 55.300 -1.072 0.000 1.079 376 M CB -0.332 31.625 32.600 -1.072 0.000 1.303 376 M HN 0.240 nan 8.290 nan 0.000 0.412 377 D N -0.568 119.650 120.400 -0.304 0.000 2.317 377 D HA 0.007 4.651 4.640 0.005 0.000 0.211 377 D C 1.815 178.028 176.300 -0.145 0.000 0.966 377 D CA 0.952 54.876 54.000 -0.127 0.000 0.876 377 D CB -0.087 40.688 40.800 -0.041 0.000 0.927 377 D HN 0.431 nan 8.370 nan 0.000 0.519 378 L N -0.135 120.931 121.223 -0.263 0.000 2.354 378 L HA 0.031 4.374 4.340 0.005 0.000 0.212 378 L C 2.240 179.080 176.870 -0.050 0.000 1.091 378 L CA 0.108 54.818 54.840 -0.216 0.000 0.828 378 L CB 0.109 41.960 42.059 -0.347 0.000 0.973 378 L HN -0.130 nan 8.230 nan 0.000 0.461 379 V N 0.181 120.073 119.914 -0.036 0.000 2.469 379 V HA -0.268 3.855 4.120 0.005 0.000 0.251 379 V C 2.584 178.758 176.094 0.134 0.000 1.064 379 V CA 2.150 64.499 62.300 0.081 0.000 1.066 379 V CB -0.400 31.563 31.823 0.233 0.000 0.667 379 V HN 0.634 nan 8.190 nan 0.000 0.461 380 S N -1.153 114.615 115.700 0.113 0.000 2.607 380 S HA -0.028 4.445 4.470 0.005 0.000 0.224 380 S C 1.532 176.185 174.600 0.088 0.000 0.969 380 S CA 1.010 59.269 58.200 0.099 0.000 0.927 380 S CB -0.078 63.168 63.200 0.076 0.000 0.772 380 S HN 0.491 nan 8.310 nan 0.000 0.533 381 S N 0.669 116.437 115.700 0.113 0.000 2.554 381 S HA 0.463 4.936 4.470 0.005 0.000 0.226 381 S C 0.411 175.143 174.600 0.220 0.000 0.980 381 S CA -0.476 57.845 58.200 0.203 0.000 0.939 381 S CB -0.029 63.272 63.200 0.169 0.000 0.832 381 S HN 0.415 nan 8.310 nan 0.000 0.486 382 L N 0.597 121.891 121.223 0.118 0.000 2.693 382 L HA 0.502 4.845 4.340 0.005 0.000 0.253 382 L C 0.979 177.908 176.870 0.099 0.000 1.155 382 L CA -0.884 53.978 54.840 0.037 0.000 1.026 382 L CB 0.253 42.203 42.059 -0.182 0.000 1.817 382 L HN 0.149 nan 8.230 nan 0.000 0.556 383 S N -0.735 115.051 115.700 0.143 0.000 2.634 383 S HA 0.117 4.590 4.470 0.005 0.000 0.261 383 S C 0.764 175.462 174.600 0.162 0.000 1.271 383 S CA -0.358 57.929 58.200 0.146 0.000 0.985 383 S CB 1.050 64.341 63.200 0.151 0.000 0.968 383 S HN 0.540 nan 8.310 nan 0.000 0.568 384 R N 0.469 121.025 120.500 0.093 0.000 2.091 384 R HA -0.059 4.285 4.340 0.005 0.000 0.238 384 R C 2.174 178.511 176.300 0.062 0.000 1.136 384 R CA 2.436 58.574 56.100 0.063 0.000 0.959 384 R CB -1.699 28.619 30.300 0.031 0.000 0.856 384 R HN 0.824 nan 8.270 nan 0.000 0.437 385 T N 0.051 114.626 114.554 0.035 0.000 2.720 385 T HA -0.164 4.189 4.350 0.005 0.000 0.268 385 T C 1.318 175.976 174.700 -0.070 0.000 1.037 385 T CA 1.809 63.879 62.100 -0.051 0.000 1.144 385 T CB -0.399 68.386 68.868 -0.138 0.000 0.864 385 T HN 0.257 nan 8.240 nan 0.000 0.444 386 Y N 1.211 121.550 120.300 0.065 0.000 2.220 386 Y HA 0.038 4.591 4.550 0.005 0.000 0.291 386 Y C 2.484 178.454 175.900 0.115 0.000 1.129 386 Y CA 0.761 58.919 58.100 0.097 0.000 1.161 386 Y CB -0.183 38.319 38.460 0.070 0.000 0.997 386 Y HN 0.092 nan 8.280 nan 0.000 0.522 387 K N 0.228 120.765 120.400 0.227 0.000 2.044 387 K HA -0.271 4.052 4.320 0.005 0.000 0.210 387 K C 2.013 178.673 176.600 0.100 0.000 1.049 387 K CA 1.934 58.306 56.287 0.141 0.000 0.927 387 K CB -0.261 32.290 32.500 0.086 0.000 0.713 387 K HN 0.366 nan 8.250 nan 0.000 0.443 388 E N 0.413 120.658 120.200 0.074 0.000 2.130 388 E HA -0.200 4.154 4.350 0.005 0.000 0.196 388 E C 1.926 178.552 176.600 0.044 0.000 0.998 388 E CA 1.629 58.053 56.400 0.041 0.000 0.806 388 E CB 0.011 29.725 29.700 0.023 0.000 0.738 388 E HN 0.347 nan 8.360 nan 0.000 0.459 389 S N 0.098 115.858 115.700 0.101 0.000 2.474 389 S HA -0.137 4.336 4.470 0.005 0.000 0.235 389 S C 1.770 176.361 174.600 -0.016 0.000 0.997 389 S CA 0.738 59.030 58.200 0.153 0.000 0.949 389 S CB -0.051 63.346 63.200 0.328 0.000 0.766 389 S HN 0.146 nan 8.310 nan 0.000 0.517 390 R N 0.926 121.330 120.500 -0.160 0.000 2.317 390 R HA 0.213 4.556 4.340 0.005 0.000 0.208 390 R C 1.576 177.732 176.300 -0.240 0.000 0.914 390 R CA 0.075 55.825 56.100 -0.583 0.000 1.060 390 R CB -0.170 29.977 30.300 -0.255 0.000 1.015 390 R HN 0.361 nan 8.270 nan 0.000 0.498 391 N N 1.094 119.735 118.700 -0.098 0.000 2.025 391 N HA -0.185 4.558 4.740 0.005 0.000 0.194 391 N C 1.552 177.063 175.510 0.002 0.000 1.044 391 N CA 1.908 54.942 53.050 -0.025 0.000 0.851 391 N CB -0.214 38.270 38.487 -0.006 0.000 1.036 391 N HN 0.279 nan 8.380 nan 0.000 0.422 392 A N 0.398 123.229 122.820 0.018 0.000 1.930 392 A HA -0.105 4.218 4.320 0.005 0.000 0.217 392 A C 2.146 179.792 177.584 0.104 0.000 1.175 392 A CA 0.823 52.896 52.037 0.060 0.000 0.627 392 A CB -0.910 18.139 19.000 0.081 0.000 0.815 392 A HN 0.364 nan 8.150 nan 0.000 0.443 393 F N 1.433 121.341 119.950 -0.070 0.000 2.075 393 F HA -0.265 4.265 4.527 0.006 0.000 0.297 393 F C 2.578 178.393 175.800 0.025 0.000 1.113 393 F CA 2.169 60.159 58.000 -0.016 0.000 1.218 393 F CB -0.093 38.825 39.000 -0.136 0.000 0.984 393 F HN 0.321 nan 8.300 nan 0.000 0.472 394 R N 0.689 121.202 120.500 0.020 0.000 2.115 394 R HA -0.146 4.197 4.340 0.005 0.000 0.230 394 R C 2.172 178.515 176.300 0.071 0.000 1.111 394 R CA 1.788 57.926 56.100 0.064 0.000 0.976 394 R CB -0.754 29.630 30.300 0.139 0.000 0.870 394 R HN 0.264 nan 8.270 nan 0.000 0.445 395 K N 0.756 121.176 120.400 0.033 0.000 2.032 395 K HA -0.109 4.214 4.320 0.005 0.000 0.209 395 K C 2.143 178.743 176.600 -0.001 0.000 1.048 395 K CA 1.608 57.914 56.287 0.031 0.000 0.927 395 K CB -0.322 32.194 32.500 0.026 0.000 0.712 395 K HN 0.313 nan 8.250 nan 0.000 0.441 396 A N 0.970 123.768 122.820 -0.037 0.000 1.940 396 A HA -0.117 4.206 4.320 0.005 0.000 0.219 396 A C 2.017 179.536 177.584 -0.109 0.000 1.176 396 A CA 1.345 53.355 52.037 -0.045 0.000 0.631 396 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 396 A HN 0.340 nan 8.150 nan 0.000 0.446 397 L N -3.392 117.654 121.223 -0.296 0.000 2.354 397 L HA 0.052 4.395 4.340 0.005 0.000 0.212 397 L C 1.699 178.253 176.870 -0.527 0.000 1.091 397 L CA 0.956 55.465 54.840 -0.552 0.000 0.828 397 L CB -0.138 41.276 42.059 -1.075 0.000 0.973 397 L HN 0.493 nan 8.230 nan 0.000 0.461 398 Y N -1.049 119.269 120.300 0.031 0.000 2.425 398 Y HA 0.324 4.877 4.550 0.005 0.000 0.261 398 Y C 1.778 177.706 175.900 0.047 0.000 1.084 398 Y CA 0.199 58.334 58.100 0.057 0.000 1.248 398 Y CB 0.499 38.925 38.460 -0.056 0.000 1.270 398 Y HN 0.119 nan 8.280 nan 0.000 0.524 399 G N 0.834 109.720 108.800 0.143 0.000 2.205 399 G HA2 -0.316 3.647 3.960 0.005 0.000 0.261 399 G HA3 -0.316 3.647 3.960 0.005 0.000 0.261 399 G C 0.417 175.356 174.900 0.065 0.000 0.980 399 G CA 0.460 45.614 45.100 0.091 0.000 0.632 399 G HN 0.431 nan 8.290 nan 0.000 0.533 400 T N -0.819 113.779 114.554 0.073 0.000 2.907 400 T HA 0.513 4.866 4.350 0.005 0.000 0.298 400 T C 1.395 176.101 174.700 0.010 0.000 1.017 400 T CA 0.922 63.035 62.100 0.021 0.000 1.118 400 T CB 1.595 70.457 68.868 -0.010 0.000 0.948 400 T HN 0.942 nan 8.240 nan 0.000 0.531 401 T N -1.809 112.739 114.554 -0.009 0.000 3.023 401 T HA 0.337 4.690 4.350 0.005 0.000 0.253 401 T C 0.623 175.311 174.700 -0.020 0.000 1.038 401 T CA -0.049 62.045 62.100 -0.010 0.000 0.962 401 T CB 0.115 68.975 68.868 -0.012 0.000 1.018 401 T HN 0.752 nan 8.240 nan 0.000 0.521 402 S N -0.169 115.512 115.700 -0.033 0.000 2.556 402 S HA 0.487 4.961 4.470 0.005 0.000 0.271 402 S C -1.477 173.088 174.600 -0.058 0.000 1.135 402 S CA -0.720 57.455 58.200 -0.042 0.000 0.858 402 S CB 2.227 65.398 63.200 -0.047 0.000 1.114 402 S HN 0.364 nan 8.310 nan 0.000 0.468 403 E N 0.993 121.156 120.200 -0.062 0.000 2.373 403 E HA 0.279 4.633 4.350 0.005 0.000 0.263 403 E C -0.078 176.455 176.600 -0.111 0.000 1.073 403 E CA -0.185 56.165 56.400 -0.085 0.000 0.894 403 E CB 0.989 30.645 29.700 -0.073 0.000 1.008 403 E HN 0.650 nan 8.360 nan 0.000 0.420 404 T N 1.382 115.850 114.554 -0.142 0.000 2.906 404 T HA 0.116 4.469 4.350 0.005 0.000 0.320 404 T C -0.123 174.445 174.700 -0.220 0.000 1.088 404 T CA 0.006 61.993 62.100 -0.188 0.000 1.120 404 T CB 0.276 69.017 68.868 -0.213 0.000 1.000 404 T HN 0.534 nan 8.240 nan 0.000 0.550 405 A N 4.185 126.827 122.820 -0.297 0.000 2.587 405 A HA 0.129 4.452 4.320 0.005 0.000 0.233 405 A C 1.757 179.121 177.584 -0.367 0.000 1.049 405 A CA 0.539 52.370 52.037 -0.344 0.000 0.754 405 A CB -0.273 18.391 19.000 -0.560 0.000 0.977 405 A HN 1.028 nan 8.150 nan 0.000 0.509 406 T N 2.710 117.143 114.554 -0.202 0.000 2.684 406 T HA -0.193 4.161 4.350 0.005 0.000 0.267 406 T C 1.677 176.304 174.700 -0.122 0.000 1.036 406 T CA 2.015 64.024 62.100 -0.151 0.000 1.148 406 T CB -0.329 68.481 68.868 -0.096 0.000 0.863 406 T HN 0.942 nan 8.240 nan 0.000 0.436 407 W N 2.164 123.433 121.300 -0.052 0.000 2.350 407 W HA -0.072 4.591 4.660 0.005 0.000 0.289 407 W C 1.798 178.373 176.519 0.093 0.000 1.215 407 W CA 0.522 57.879 57.345 0.020 0.000 1.236 407 W CB -0.868 28.651 29.460 0.100 0.000 1.130 407 W HN 0.226 nan 8.180 nan 0.000 0.541 408 R N 0.670 120.798 120.500 -0.619 0.000 2.062 408 R HA -0.023 4.320 4.340 0.005 0.000 0.229 408 R C 2.671 178.858 176.300 -0.189 0.000 1.128 408 R CA 1.603 57.362 56.100 -0.568 0.000 0.960 408 R CB -0.388 29.396 30.300 -0.859 0.000 0.855 408 R HN 0.105 nan 8.270 nan 0.000 0.432 409 R N -0.157 120.230 120.500 -0.188 0.000 2.105 409 R HA -0.129 4.215 4.340 0.005 0.000 0.239 409 R C 2.344 178.655 176.300 0.018 0.000 1.135 409 R CA 1.490 57.539 56.100 -0.084 0.000 0.967 409 R CB -0.430 29.804 30.300 -0.109 0.000 0.861 409 R HN 0.286 nan 8.270 nan 0.000 0.442 410 c N -0.094 118.516 118.600 0.018 0.000 2.466 410 c HA 0.066 4.639 4.570 0.005 0.000 0.278 410 c C 2.951 177.211 174.090 0.282 0.000 1.288 410 c CA 0.514 56.891 56.329 0.080 0.000 1.722 410 c CB -0.793 41.639 42.510 -0.130 0.000 2.017 410 c HN 0.587 nan 8.230 nan 0.000 0.488 411 A N 1.578 124.607 122.820 0.348 0.000 1.883 411 A HA -0.206 4.117 4.320 0.005 0.000 0.217 411 A C 1.913 179.590 177.584 0.155 0.000 1.186 411 A CA 2.049 54.266 52.037 0.301 0.000 0.624 411 A CB -0.650 18.525 19.000 0.291 0.000 0.822 411 A HN 0.651 nan 8.150 nan 0.000 0.444 412 N N -1.476 117.288 118.700 0.108 0.000 2.120 412 N HA -0.182 4.561 4.740 0.005 0.000 0.188 412 N C 1.609 177.165 175.510 0.077 0.000 1.024 412 N CA 1.754 54.838 53.050 0.058 0.000 0.852 412 N CB -0.648 37.855 38.487 0.027 0.000 1.003 412 N HN 0.700 nan 8.380 nan 0.000 0.424 413 Y N 2.164 122.483 120.300 0.032 0.000 2.145 413 Y HA -0.234 4.319 4.550 0.005 0.000 0.286 413 Y C 2.402 178.320 175.900 0.031 0.000 1.145 413 Y CA 1.806 59.930 58.100 0.039 0.000 1.148 413 Y CB -0.338 38.164 38.460 0.071 0.000 0.981 413 Y HN -0.050 nan 8.280 nan 0.000 0.507 414 V N -0.626 119.347 119.914 0.098 0.000 2.295 414 V HA -0.275 3.849 4.120 0.005 0.000 0.246 414 V C 2.189 178.230 176.094 -0.089 0.000 1.049 414 V CA 2.313 64.607 62.300 -0.011 0.000 1.024 414 V CB -1.301 30.585 31.823 0.105 0.000 0.648 414 V HN 0.465 nan 8.190 nan 0.000 0.447 415 N N 2.293 120.966 118.700 -0.045 0.000 2.060 415 N HA -0.135 4.609 4.740 0.005 0.000 0.195 415 N C 1.866 177.324 175.510 -0.086 0.000 1.028 415 N CA 2.430 55.442 53.050 -0.062 0.000 0.861 415 N CB -1.081 37.376 38.487 -0.050 0.000 1.029 415 N HN 0.633 nan 8.380 nan 0.000 0.428 416 G N -0.611 108.116 108.800 -0.123 0.000 2.443 416 G HA2 -0.179 3.785 3.960 0.005 0.000 0.219 416 G HA3 -0.179 3.785 3.960 0.005 0.000 0.219 416 G C 1.477 176.282 174.900 -0.158 0.000 1.131 416 G CA 0.512 45.533 45.100 -0.133 0.000 0.775 416 G HN 0.368 nan 8.290 nan 0.000 0.547 417 N N -0.342 118.214 118.700 -0.240 0.000 2.368 417 N HA 0.154 4.897 4.740 0.005 0.000 0.178 417 N C 0.673 176.164 175.510 -0.032 0.000 1.076 417 N CA 0.248 53.190 53.050 -0.181 0.000 0.889 417 N CB 0.411 38.673 38.487 -0.374 0.000 1.040 417 N HN 0.288 nan 8.380 nan 0.000 0.463 418 M N 1.288 120.849 119.600 -0.064 0.000 2.952 418 M HA 0.161 4.645 4.480 0.005 0.000 0.259 418 M C 0.714 177.039 176.300 0.043 0.000 1.306 418 M CA -0.145 55.142 55.300 -0.023 0.000 0.626 418 M CB 0.969 33.363 32.600 -0.344 0.000 1.423 418 M HN 0.029 nan 8.290 nan 0.000 0.459 419 E N -0.248 119.994 120.200 0.071 0.000 2.150 419 E HA -0.162 4.191 4.350 0.005 0.000 0.193 419 E C 0.843 177.460 176.600 0.029 0.000 0.985 419 E CA 1.227 57.638 56.400 0.019 0.000 0.814 419 E CB 0.015 29.714 29.700 -0.001 0.000 0.752 419 E HN 0.503 nan 8.360 nan 0.000 0.466 420 N N 1.428 120.185 118.700 0.095 0.000 2.207 420 N HA -0.015 4.728 4.740 0.005 0.000 0.182 420 N C 1.894 177.453 175.510 0.082 0.000 1.020 420 N CA 1.465 54.551 53.050 0.061 0.000 0.858 420 N CB -0.348 38.167 38.487 0.047 0.000 0.991 420 N HN 0.313 nan 8.380 nan 0.000 0.427 421 A N 0.799 123.715 122.820 0.160 0.000 1.877 421 A HA -0.068 4.255 4.320 0.005 0.000 0.216 421 A C 2.491 180.076 177.584 0.003 0.000 1.186 421 A CA 1.297 53.378 52.037 0.072 0.000 0.620 421 A CB -0.803 18.182 19.000 -0.025 0.000 0.822 421 A HN 0.096 nan 8.150 nan 0.000 0.443 422 V N -0.149 119.756 119.914 -0.013 0.000 2.358 422 V HA -0.139 3.984 4.120 0.005 0.000 0.246 422 V C 2.807 178.906 176.094 0.009 0.000 1.047 422 V CA 1.836 64.125 62.300 -0.018 0.000 1.035 422 V CB -1.305 30.496 31.823 -0.037 0.000 0.658 422 V HN 0.621 nan 8.190 nan 0.000 0.452 423 G N -0.149 108.648 108.800 -0.005 0.000 2.440 423 G HA2 -0.328 3.635 3.960 0.005 0.000 0.218 423 G HA3 -0.328 3.635 3.960 0.005 0.000 0.218 423 G C 1.685 176.567 174.900 -0.029 0.000 1.154 423 G CA 1.091 46.191 45.100 -0.000 0.000 0.767 423 G HN 0.468 nan 8.290 nan 0.000 0.552 424 R N 0.063 120.529 120.500 -0.056 0.000 2.070 424 R HA 0.025 4.368 4.340 0.005 0.000 0.233 424 R C 2.546 178.794 176.300 -0.087 0.000 1.137 424 R CA 1.340 57.379 56.100 -0.102 0.000 0.945 424 R CB -0.457 29.812 30.300 -0.051 0.000 0.845 424 R HN 0.388 nan 8.270 nan 0.000 0.430 425 L N -0.192 121.010 121.223 -0.035 0.000 2.083 425 L HA -0.195 4.148 4.340 0.005 0.000 0.209 425 L C 2.522 179.385 176.870 -0.012 0.000 1.083 425 L CA 1.338 56.160 54.840 -0.029 0.000 0.752 425 L CB -0.666 41.381 42.059 -0.020 0.000 0.899 425 L HN 0.284 nan 8.230 nan 0.000 0.433 426 Y N 0.916 121.162 120.300 -0.089 0.000 2.114 426 Y HA -0.241 4.312 4.550 0.006 0.000 0.284 426 Y C 2.516 178.378 175.900 -0.063 0.000 1.143 426 Y CA 1.989 60.047 58.100 -0.069 0.000 1.135 426 Y CB -0.417 38.003 38.460 -0.068 0.000 0.980 426 Y HN 0.035 nan 8.280 nan 0.000 0.499 427 V N -1.663 118.130 119.914 -0.202 0.000 2.515 427 V HA -0.176 3.947 4.120 0.005 0.000 0.250 427 V C 1.842 177.812 176.094 -0.207 0.000 1.058 427 V CA 2.029 64.171 62.300 -0.264 0.000 1.064 427 V CB -0.860 30.699 31.823 -0.441 0.000 0.675 427 V HN 0.449 nan 8.190 nan 0.000 0.461 428 E N 1.366 121.452 120.200 -0.191 0.000 2.110 428 E HA -0.117 4.236 4.350 0.005 0.000 0.193 428 E C 2.342 178.869 176.600 -0.121 0.000 0.988 428 E CA 1.462 57.784 56.400 -0.129 0.000 0.804 428 E CB -0.323 29.318 29.700 -0.099 0.000 0.745 428 E HN 0.746 nan 8.360 nan 0.000 0.458 429 A N 0.661 123.388 122.820 -0.156 0.000 1.930 429 A HA 0.171 4.494 4.320 0.005 0.000 0.215 429 A C 2.069 179.551 177.584 -0.170 0.000 1.176 429 A CA 1.451 53.403 52.037 -0.141 0.000 0.632 429 A CB 0.108 19.035 19.000 -0.122 0.000 0.819 429 A HN 0.257 nan 8.150 nan 0.000 0.445 430 A N -2.816 119.834 122.820 -0.283 0.000 2.474 430 A HA 0.535 4.859 4.320 0.005 0.000 0.221 430 A C 0.098 177.610 177.584 -0.119 0.000 1.298 430 A CA -0.241 51.630 52.037 -0.276 0.000 1.008 430 A CB 0.154 18.833 19.000 -0.536 0.000 1.217 430 A HN 0.421 nan 8.150 nan 0.000 0.553 431 F N 0.073 119.860 119.950 -0.271 0.000 2.444 431 F HA 0.570 5.100 4.527 0.006 0.000 0.342 431 F C 1.207 177.000 175.800 -0.012 0.000 1.121 431 F CA -0.343 57.592 58.000 -0.108 0.000 0.997 431 F CB 1.801 40.752 39.000 -0.081 0.000 1.130 431 F HN 0.105 nan 8.300 nan 0.000 0.454 432 A N 3.980 126.429 122.820 -0.618 0.000 1.865 432 A HA 0.210 4.534 4.320 0.005 0.000 0.217 432 A C 1.952 179.341 177.584 -0.326 0.000 1.191 432 A CA 2.079 53.895 52.037 -0.369 0.000 0.623 432 A CB -1.252 17.580 19.000 -0.280 0.000 0.826 432 A HN 1.720 nan 8.150 nan 0.000 0.444 433 G N -2.520 105.975 108.800 -0.509 0.000 2.491 433 G HA2 -0.170 3.794 3.960 0.005 0.000 0.203 433 G HA3 -0.170 3.794 3.960 0.005 0.000 0.203 433 G C 0.768 175.663 174.900 -0.009 0.000 1.052 433 G CA 0.514 45.532 45.100 -0.136 0.000 0.675 433 G HN 0.406 nan 8.290 nan 0.000 0.504 434 E N 0.672 120.869 120.200 -0.006 0.000 2.489 434 E HA 0.236 4.589 4.350 0.005 0.000 0.204 434 E C 2.102 178.800 176.600 0.165 0.000 1.006 434 E CA 0.540 57.058 56.400 0.198 0.000 0.936 434 E CB 0.442 30.200 29.700 0.096 0.000 1.002 434 E HN 0.360 nan 8.360 nan 0.000 0.488 435 S N 1.706 117.426 115.700 0.033 0.000 2.392 435 S HA -0.248 4.225 4.470 0.005 0.000 0.232 435 S C 1.878 176.549 174.600 0.118 0.000 1.041 435 S CA 1.658 59.961 58.200 0.172 0.000 1.026 435 S CB -0.094 63.161 63.200 0.092 0.000 0.845 435 S HN 0.245 nan 8.310 nan 0.000 0.465 436 K N 0.118 120.571 120.400 0.089 0.000 2.002 436 K HA -0.181 4.142 4.320 0.005 0.000 0.209 436 K C 1.900 178.448 176.600 -0.087 0.000 1.048 436 K CA 1.794 58.100 56.287 0.032 0.000 0.930 436 K CB -0.196 32.263 32.500 -0.068 0.000 0.714 436 K HN 0.469 nan 8.250 nan 0.000 0.438 437 H N -0.506 118.589 119.070 0.041 0.000 2.353 437 H HA -0.091 4.468 4.556 0.005 0.000 0.300 437 H C 2.000 177.340 175.328 0.020 0.000 1.090 437 H CA 1.564 57.630 56.048 0.030 0.000 1.327 437 H CB -0.129 29.654 29.762 0.034 0.000 1.383 437 H HN -0.026 nan 8.280 nan 0.000 0.508 438 V N 0.032 120.040 119.914 0.156 0.000 2.358 438 V HA -0.210 3.913 4.120 0.005 0.000 0.246 438 V C 2.347 178.408 176.094 -0.054 0.000 1.047 438 V CA 1.442 63.809 62.300 0.112 0.000 1.035 438 V CB -0.485 31.502 31.823 0.274 0.000 0.658 438 V HN 0.271 nan 8.190 nan 0.000 0.452 439 V N -0.225 119.560 119.914 -0.215 0.000 2.427 439 V HA -0.261 3.862 4.120 0.005 0.000 0.248 439 V C 2.405 178.373 176.094 -0.210 0.000 1.051 439 V CA 1.949 64.029 62.300 -0.367 0.000 1.048 439 V CB -0.651 30.896 31.823 -0.459 0.000 0.666 439 V HN 0.597 nan 8.190 nan 0.000 0.456 440 E N -0.040 120.095 120.200 -0.108 0.000 2.097 440 E HA -0.315 4.038 4.350 0.005 0.000 0.196 440 E C 1.966 178.548 176.600 -0.030 0.000 1.000 440 E CA 1.859 58.227 56.400 -0.055 0.000 0.804 440 E CB -0.167 29.520 29.700 -0.022 0.000 0.740 440 E HN 0.710 nan 8.360 nan 0.000 0.454 441 D N -0.043 120.352 120.400 -0.007 0.000 2.149 441 D HA -0.088 4.555 4.640 0.005 0.000 0.201 441 D C 1.889 178.195 176.300 0.011 0.000 0.972 441 D CA 0.621 54.636 54.000 0.025 0.000 0.835 441 D CB 0.082 40.919 40.800 0.061 0.000 0.966 441 D HN 0.063 nan 8.370 nan 0.000 0.476 442 L N 0.116 121.308 121.223 -0.052 0.000 2.083 442 L HA -0.123 4.220 4.340 0.005 0.000 0.209 442 L C 2.413 179.249 176.870 -0.056 0.000 1.083 442 L CA 0.731 55.522 54.840 -0.081 0.000 0.752 442 L CB -0.361 41.563 42.059 -0.224 0.000 0.899 442 L HN 0.197 nan 8.230 nan 0.000 0.433 443 I N -0.205 120.304 120.570 -0.101 0.000 2.252 443 I HA -0.253 3.921 4.170 0.005 0.000 0.245 443 I C 2.831 178.955 176.117 0.012 0.000 1.102 443 I CA 1.030 62.288 61.300 -0.070 0.000 1.385 443 I CB -0.442 37.502 38.000 -0.093 0.000 1.064 443 I HN 0.177 nan 8.210 nan 0.000 0.414 444 A N 0.317 123.148 122.820 0.019 0.000 1.903 444 A HA -0.329 3.995 4.320 0.005 0.000 0.219 444 A C 2.250 179.874 177.584 0.067 0.000 1.191 444 A CA 2.058 54.121 52.037 0.043 0.000 0.638 444 A CB -0.750 18.276 19.000 0.043 0.000 0.823 444 A HN 0.498 nan 8.150 nan 0.000 0.451 445 Q N -1.019 118.831 119.800 0.084 0.000 2.046 445 Q HA -0.084 4.259 4.340 0.005 0.000 0.200 445 Q C 2.043 178.123 176.000 0.133 0.000 0.975 445 Q CA 1.620 57.497 55.803 0.124 0.000 0.836 445 Q CB -0.253 28.597 28.738 0.187 0.000 0.896 445 Q HN 0.739 nan 8.270 nan 0.000 0.428 446 I N 0.160 120.809 120.570 0.132 0.000 2.353 446 I HA -0.222 3.951 4.170 0.005 0.000 0.248 446 I C 2.532 178.738 176.117 0.148 0.000 1.119 446 I CA 0.722 62.116 61.300 0.156 0.000 1.417 446 I CB -0.173 37.915 38.000 0.145 0.000 1.078 446 I HN 0.115 nan 8.210 nan 0.000 0.421 447 R N 0.698 121.263 120.500 0.109 0.000 2.091 447 R HA -0.222 4.121 4.340 0.005 0.000 0.238 447 R C 2.161 178.540 176.300 0.132 0.000 1.136 447 R CA 1.531 57.690 56.100 0.098 0.000 0.959 447 R CB -0.082 30.255 30.300 0.062 0.000 0.856 447 R HN 0.207 nan 8.270 nan 0.000 0.437 448 E N 0.118 120.384 120.200 0.109 0.000 2.106 448 E HA -0.096 4.257 4.350 0.005 0.000 0.192 448 E C 1.957 178.618 176.600 0.100 0.000 0.984 448 E CA 0.920 57.376 56.400 0.093 0.000 0.806 448 E CB -0.135 29.609 29.700 0.073 0.000 0.750 448 E HN 0.160 nan 8.360 nan 0.000 0.458 449 V N 0.847 120.834 119.914 0.121 0.000 2.427 449 V HA -0.202 3.921 4.120 0.005 0.000 0.248 449 V C 2.159 178.323 176.094 0.116 0.000 1.051 449 V CA 1.595 63.960 62.300 0.109 0.000 1.048 449 V CB -0.602 31.298 31.823 0.129 0.000 0.666 449 V HN 0.207 nan 8.190 nan 0.000 0.456 450 F N 0.658 120.613 119.950 0.008 0.000 2.069 450 F HA -0.228 4.302 4.527 0.005 0.000 0.298 450 F C 2.140 177.896 175.800 -0.074 0.000 1.113 450 F CA 1.917 59.888 58.000 -0.048 0.000 1.214 450 F CB -0.261 38.664 39.000 -0.124 0.000 0.978 450 F HN 0.037 nan 8.300 nan 0.000 0.474 451 I N 0.353 121.029 120.570 0.176 0.000 2.118 451 I HA -0.405 3.769 4.170 0.005 0.000 0.241 451 I C 2.480 178.563 176.117 -0.057 0.000 1.070 451 I CA 1.918 63.248 61.300 0.050 0.000 1.327 451 I CB -0.617 37.434 38.000 0.085 0.000 1.034 451 I HN 0.306 nan 8.210 nan 0.000 0.405 452 Q N -0.470 119.316 119.800 -0.023 0.000 2.170 452 Q HA -0.180 4.163 4.340 0.005 0.000 0.203 452 Q C 2.113 178.072 176.000 -0.068 0.000 0.976 452 Q CA 1.861 57.645 55.803 -0.033 0.000 0.858 452 Q CB -0.232 28.503 28.738 -0.006 0.000 0.907 452 Q HN 0.508 nan 8.270 nan 0.000 0.433 453 T N 1.451 115.942 114.554 -0.104 0.000 2.995 453 T HA -0.003 4.351 4.350 0.005 0.000 0.269 453 T C 1.779 176.387 174.700 -0.154 0.000 1.091 453 T CA 0.388 62.423 62.100 -0.109 0.000 1.128 453 T CB -0.047 68.758 68.868 -0.104 0.000 0.891 453 T HN 0.213 nan 8.240 nan 0.000 0.492 454 L N 1.010 122.099 121.223 -0.222 0.000 2.189 454 L HA -0.171 4.172 4.340 0.005 0.000 0.214 454 L C 1.967 178.741 176.870 -0.160 0.000 1.097 454 L CA 1.189 55.902 54.840 -0.212 0.000 0.764 454 L CB -0.583 41.358 42.059 -0.197 0.000 0.900 454 L HN 0.210 nan 8.230 nan 0.000 0.436 455 D N -0.653 119.678 120.400 -0.116 0.000 2.289 455 D HA -0.102 4.541 4.640 0.005 0.000 0.207 455 D C 1.488 177.740 176.300 -0.080 0.000 0.966 455 D CA 0.761 54.707 54.000 -0.089 0.000 0.868 455 D CB -0.061 40.702 40.800 -0.062 0.000 0.943 455 D HN 0.335 nan 8.370 nan 0.000 0.514 456 D N 0.039 120.394 120.400 -0.075 0.000 2.349 456 D HA 0.028 4.671 4.640 0.005 0.000 0.215 456 D C 0.446 176.709 176.300 -0.062 0.000 1.016 456 D CA 0.089 54.059 54.000 -0.050 0.000 0.870 456 D CB 0.904 41.691 40.800 -0.023 0.000 0.917 456 D HN 0.216 nan 8.370 nan 0.000 0.524 457 L N 1.858 123.000 121.223 -0.135 0.000 2.260 457 L HA 0.134 4.477 4.340 0.005 0.000 0.289 457 L C 1.761 178.470 176.870 -0.267 0.000 1.057 457 L CA -0.197 54.507 54.840 -0.227 0.000 0.811 457 L CB 1.389 43.173 42.059 -0.459 0.000 1.184 457 L HN -0.097 nan 8.230 nan 0.000 0.429 458 T N -1.775 112.720 114.554 -0.097 0.000 3.100 458 T HA -0.050 4.303 4.350 0.005 0.000 0.253 458 T C 1.110 175.825 174.700 0.024 0.000 1.118 458 T CA -0.173 61.915 62.100 -0.021 0.000 1.058 458 T CB -0.027 68.874 68.868 0.053 0.000 0.953 458 T HN 0.782 nan 8.240 nan 0.000 0.515 459 W N 0.928 122.216 121.300 -0.020 0.000 3.239 459 W HA 0.560 5.224 4.660 0.005 0.000 0.348 459 W C -0.306 176.238 176.519 0.042 0.000 1.183 459 W CA -1.017 56.325 57.345 -0.005 0.000 1.819 459 W CB -0.674 28.761 29.460 -0.042 0.000 1.091 459 W HN 0.172 nan 8.180 nan 0.000 0.629 460 M N 2.032 121.465 119.600 -0.278 0.000 2.602 460 M HA 0.216 4.699 4.480 0.005 0.000 0.312 460 M C -0.543 175.700 176.300 -0.094 0.000 1.181 460 M CA -0.684 54.506 55.300 -0.183 0.000 0.910 460 M CB 2.141 34.486 32.600 -0.425 0.000 1.723 460 M HN -0.207 nan 8.290 nan 0.000 0.459 461 D N 0.850 121.234 120.400 -0.027 0.000 2.423 461 D HA 0.512 5.156 4.640 0.005 0.000 0.255 461 D C 0.831 177.104 176.300 -0.045 0.000 1.174 461 D CA -0.619 53.369 54.000 -0.020 0.000 1.008 461 D CB 0.651 41.461 40.800 0.017 0.000 1.101 461 D HN 0.614 nan 8.370 nan 0.000 0.516 462 A N 0.210 123.011 122.820 -0.032 0.000 1.883 462 A HA -0.267 4.057 4.320 0.005 0.000 0.217 462 A C 1.910 179.473 177.584 -0.035 0.000 1.186 462 A CA 1.974 53.988 52.037 -0.038 0.000 0.624 462 A CB -1.117 17.869 19.000 -0.025 0.000 0.822 462 A HN 0.801 nan 8.150 nan 0.000 0.444 463 E N -1.097 119.092 120.200 -0.019 0.000 2.077 463 E HA -0.154 4.199 4.350 0.005 0.000 0.193 463 E C 1.812 178.400 176.600 -0.020 0.000 0.989 463 E CA 1.606 57.999 56.400 -0.012 0.000 0.800 463 E CB -0.848 28.857 29.700 0.008 0.000 0.746 463 E HN 0.437 nan 8.360 nan 0.000 0.452 464 T N 1.230 115.763 114.554 -0.034 0.000 2.821 464 T HA -0.073 4.280 4.350 0.005 0.000 0.267 464 T C 1.689 176.341 174.700 -0.081 0.000 1.046 464 T CA 1.249 63.303 62.100 -0.078 0.000 1.139 464 T CB -0.073 68.692 68.868 -0.171 0.000 0.871 464 T HN 0.177 nan 8.240 nan 0.000 0.454 465 K N 1.095 121.442 120.400 -0.089 0.000 2.074 465 K HA -0.152 4.171 4.320 0.005 0.000 0.209 465 K C 2.385 178.949 176.600 -0.060 0.000 1.048 465 K CA 1.271 57.512 56.287 -0.077 0.000 0.926 465 K CB -0.152 32.289 32.500 -0.097 0.000 0.713 465 K HN 0.238 nan 8.250 nan 0.000 0.444 466 K N 1.087 121.452 120.400 -0.059 0.000 2.032 466 K HA -0.168 4.155 4.320 0.005 0.000 0.209 466 K C 2.154 178.697 176.600 -0.095 0.000 1.048 466 K CA 1.526 57.776 56.287 -0.061 0.000 0.927 466 K CB 0.041 32.513 32.500 -0.048 0.000 0.712 466 K HN 0.057 nan 8.250 nan 0.000 0.441 467 R N -0.257 120.169 120.500 -0.125 0.000 2.115 467 R HA -0.038 4.305 4.340 0.005 0.000 0.230 467 R C 2.278 178.299 176.300 -0.465 0.000 1.111 467 R CA 0.971 56.904 56.100 -0.278 0.000 0.976 467 R CB -0.217 29.943 30.300 -0.234 0.000 0.870 467 R HN 0.205 nan 8.270 nan 0.000 0.445 468 A N 1.390 124.061 122.820 -0.248 0.000 1.902 468 A HA -0.245 4.079 4.320 0.005 0.000 0.217 468 A C 2.092 179.719 177.584 0.072 0.000 1.181 468 A CA 1.665 53.702 52.037 0.001 0.000 0.623 468 A CB -0.413 18.707 19.000 0.199 0.000 0.818 468 A HN 0.456 nan 8.150 nan 0.000 0.443 469 E N -0.185 120.015 120.200 -0.000 0.000 2.047 469 E HA -0.236 4.117 4.350 0.005 0.000 0.191 469 E C 1.861 178.455 176.600 -0.010 0.000 0.987 469 E CA 1.287 57.701 56.400 0.023 0.000 0.799 469 E CB -0.251 29.444 29.700 -0.009 0.000 0.752 469 E HN 0.677 nan 8.360 nan 0.000 0.449 470 E N 0.551 120.703 120.200 -0.081 0.000 2.108 470 E HA -0.293 4.060 4.350 0.005 0.000 0.203 470 E C 2.033 178.569 176.600 -0.105 0.000 1.022 470 E CA 2.023 58.357 56.400 -0.110 0.000 0.823 470 E CB -0.069 29.525 29.700 -0.178 0.000 0.744 470 E HN 0.162 nan 8.360 nan 0.000 0.456 471 K N -0.203 120.112 120.400 -0.141 0.000 2.155 471 K HA -0.054 4.270 4.320 0.005 0.000 0.203 471 K C 1.967 178.593 176.600 0.043 0.000 1.052 471 K CA 0.954 57.170 56.287 -0.118 0.000 0.948 471 K CB -0.033 32.306 32.500 -0.268 0.000 0.728 471 K HN 0.127 nan 8.250 nan 0.000 0.448 472 A N 1.269 124.178 122.820 0.149 0.000 1.877 472 A HA -0.117 4.206 4.320 0.005 0.000 0.216 472 A C 2.028 179.635 177.584 0.038 0.000 1.186 472 A CA 1.330 53.424 52.037 0.096 0.000 0.620 472 A CB -0.612 18.456 19.000 0.113 0.000 0.822 472 A HN 0.332 nan 8.150 nan 0.000 0.443 473 L N -1.203 120.035 121.223 0.024 0.000 2.291 473 L HA -0.054 4.290 4.340 0.005 0.000 0.214 473 L C 2.602 179.470 176.870 -0.002 0.000 1.120 473 L CA 0.755 55.602 54.840 0.011 0.000 0.799 473 L CB -0.208 41.851 42.059 0.001 0.000 0.925 473 L HN 0.431 nan 8.230 nan 0.000 0.446 474 A N -0.543 122.269 122.820 -0.013 0.000 2.267 474 A HA 0.246 4.570 4.320 0.005 0.000 0.213 474 A C 0.974 178.546 177.584 -0.020 0.000 1.192 474 A CA -0.323 51.699 52.037 -0.025 0.000 0.851 474 A CB -0.173 18.799 19.000 -0.046 0.000 0.881 474 A HN 0.193 nan 8.150 nan 0.000 0.494 475 I N 1.401 121.971 120.570 -0.000 0.000 2.683 475 I HA -0.010 4.164 4.170 0.005 0.000 0.286 475 I C 0.247 176.361 176.117 -0.006 0.000 1.175 475 I CA 0.556 61.864 61.300 0.014 0.000 1.429 475 I CB 0.621 38.653 38.000 0.053 0.000 1.371 475 I HN 0.086 nan 8.210 nan 0.000 0.569 476 K N 7.496 127.873 120.400 -0.039 0.000 2.265 476 K HA 0.254 4.577 4.320 0.005 0.000 0.267 476 K C -0.305 176.240 176.600 -0.092 0.000 0.994 476 K CA -0.589 55.658 56.287 -0.065 0.000 0.860 476 K CB 1.494 33.939 32.500 -0.092 0.000 1.099 476 K HN 0.584 nan 8.250 nan 0.000 0.448 477 E N 4.240 124.400 120.200 -0.067 0.000 2.222 477 E HA 0.353 4.707 4.350 0.005 0.000 0.272 477 E C -0.674 175.827 176.600 -0.165 0.000 0.982 477 E CA -0.836 55.535 56.400 -0.049 0.000 0.842 477 E CB 1.468 31.206 29.700 0.063 0.000 1.144 477 E HN 0.280 nan 8.360 nan 0.000 0.397 478 R N 2.945 123.296 120.500 -0.249 0.000 2.514 478 R HA 0.487 4.830 4.340 0.005 0.000 0.296 478 R C -0.793 175.371 176.300 -0.226 0.000 1.012 478 R CA -0.671 55.089 56.100 -0.568 0.000 0.897 478 R CB 1.014 30.481 30.300 -1.388 0.000 1.184 478 R HN 0.601 nan 8.270 nan 0.000 0.440 479 I N 1.222 121.840 120.570 0.080 0.000 2.447 479 I HA 0.396 4.569 4.170 0.005 0.000 0.287 479 I C 1.088 177.413 176.117 0.347 0.000 1.023 479 I CA 0.061 61.501 61.300 0.233 0.000 1.083 479 I CB 2.064 40.136 38.000 0.119 0.000 1.245 479 I HN 0.868 nan 8.210 nan 0.000 0.434 480 G N 5.651 114.622 108.800 0.286 0.000 5.426 480 G HA2 -0.304 3.659 3.960 0.005 0.000 0.297 480 G HA3 -0.304 3.659 3.960 0.005 0.000 0.297 480 G C -0.273 174.728 174.900 0.168 0.000 1.422 480 G CA 0.741 45.872 45.100 0.052 0.000 0.938 480 G HN 1.025 nan 8.290 nan 0.000 0.754 481 Y N -1.748 118.522 120.300 -0.050 0.000 2.662 481 Y HA 0.652 5.205 4.550 0.005 0.000 0.334 481 Y C -3.020 172.427 175.900 -0.756 0.000 1.185 481 Y CA -2.017 55.746 58.100 -0.563 0.000 1.074 481 Y CB 0.619 38.899 38.460 -0.300 0.000 1.330 481 Y HN 0.309 nan 8.280 nan 0.000 0.458 482 P HA 0.159 nan 4.420 nan 0.000 0.276 482 P C -0.189 176.998 177.300 -0.187 0.000 1.264 482 P CA 0.287 62.993 63.100 -0.657 0.000 0.769 482 P CB 1.297 32.503 31.700 -0.824 0.000 0.840 483 D N 2.056 122.358 120.400 -0.164 0.000 2.203 483 D HA -0.231 4.412 4.640 0.005 0.000 0.199 483 D C 1.221 177.568 176.300 0.077 0.000 0.997 483 D CA 1.456 55.468 54.000 0.020 0.000 0.863 483 D CB -0.029 40.764 40.800 -0.012 0.000 0.928 483 D HN 0.355 nan 8.370 nan 0.000 0.458 484 D N -0.274 120.131 120.400 0.009 0.000 2.170 484 D HA -0.188 4.455 4.640 0.005 0.000 0.193 484 D C 2.037 178.344 176.300 0.012 0.000 1.004 484 D CA 1.070 55.072 54.000 0.003 0.000 0.860 484 D CB -0.346 40.437 40.800 -0.028 0.000 0.931 484 D HN 0.546 nan 8.370 nan 0.000 0.448 485 I N -2.561 118.015 120.570 0.009 0.000 2.830 485 I HA -0.087 4.086 4.170 0.005 0.000 0.263 485 I C 1.642 177.767 176.117 0.013 0.000 1.230 485 I CA 0.586 61.884 61.300 -0.004 0.000 1.480 485 I CB 0.037 38.016 38.000 -0.036 0.000 1.095 485 I HN -0.164 nan 8.210 nan 0.000 0.455 486 V N 1.091 121.033 119.914 0.047 0.000 2.795 486 V HA -0.046 4.077 4.120 0.005 0.000 0.243 486 V C 2.597 178.715 176.094 0.040 0.000 1.069 486 V CA 1.495 63.815 62.300 0.033 0.000 1.089 486 V CB 0.234 32.087 31.823 0.050 0.000 0.756 486 V HN 0.656 nan 8.190 nan 0.000 0.471 487 S N -0.487 115.245 115.700 0.053 0.000 2.503 487 S HA 0.094 4.567 4.470 0.005 0.000 0.217 487 S C 0.928 175.545 174.600 0.028 0.000 0.999 487 S CA 0.258 58.484 58.200 0.043 0.000 0.914 487 S CB -0.122 63.109 63.200 0.051 0.000 0.782 487 S HN 0.467 nan 8.310 nan 0.000 0.520 488 N N 1.420 120.133 118.700 0.021 0.000 2.776 488 N HA 0.290 5.033 4.740 0.005 0.000 0.245 488 N C -0.760 174.756 175.510 0.010 0.000 1.121 488 N CA -0.182 52.875 53.050 0.013 0.000 0.852 488 N CB 1.278 39.770 38.487 0.007 0.000 1.142 488 N HN 0.006 nan 8.380 nan 0.000 0.514 489 D N 1.528 121.936 120.400 0.013 0.000 2.117 489 D HA -0.106 4.537 4.640 0.005 0.000 0.197 489 D C 1.303 177.611 176.300 0.013 0.000 0.987 489 D CA 1.149 55.159 54.000 0.016 0.000 0.829 489 D CB 0.153 40.962 40.800 0.016 0.000 0.961 489 D HN 0.601 nan 8.370 nan 0.000 0.460 490 N N 0.364 119.068 118.700 0.007 0.000 2.037 490 N HA -0.208 4.535 4.740 0.005 0.000 0.196 490 N C 1.757 177.262 175.510 -0.008 0.000 1.034 490 N CA 1.116 54.168 53.050 0.002 0.000 0.861 490 N CB 0.015 38.502 38.487 0.001 0.000 1.039 490 N HN 0.085 nan 8.380 nan 0.000 0.427 491 K N 0.870 121.262 120.400 -0.013 0.000 2.063 491 K HA -0.148 4.176 4.320 0.005 0.000 0.208 491 K C 2.045 178.611 176.600 -0.056 0.000 1.048 491 K CA 0.913 57.181 56.287 -0.031 0.000 0.928 491 K CB -0.095 32.389 32.500 -0.027 0.000 0.713 491 K HN 0.134 nan 8.250 nan 0.000 0.442 492 L N 1.581 122.785 121.223 -0.031 0.000 2.044 492 L HA -0.162 4.181 4.340 0.005 0.000 0.205 492 L C 1.586 178.456 176.870 0.000 0.000 1.075 492 L CA 1.761 56.585 54.840 -0.026 0.000 0.747 492 L CB -1.323 40.763 42.059 0.045 0.000 0.903 492 L HN 0.278 nan 8.230 nan 0.000 0.435 493 N N 1.043 119.770 118.700 0.044 0.000 2.060 493 N HA -0.226 4.518 4.740 0.005 0.000 0.195 493 N C 1.501 177.017 175.510 0.010 0.000 1.028 493 N CA 1.626 54.715 53.050 0.065 0.000 0.861 493 N CB -0.618 37.892 38.487 0.039 0.000 1.029 493 N HN 0.399 nan 8.380 nan 0.000 0.428 494 N N 1.093 119.773 118.700 -0.034 0.000 2.381 494 N HA -0.120 4.623 4.740 0.005 0.000 0.182 494 N C 1.525 176.977 175.510 -0.096 0.000 1.025 494 N CA 0.316 53.340 53.050 -0.044 0.000 0.888 494 N CB -0.177 38.291 38.487 -0.033 0.000 0.965 494 N HN 0.538 nan 8.380 nan 0.000 0.438 495 E N -0.352 119.707 120.200 -0.234 0.000 2.153 495 E HA -0.171 4.182 4.350 0.005 0.000 0.194 495 E C 0.225 176.571 176.600 -0.424 0.000 0.988 495 E CA 1.081 57.230 56.400 -0.417 0.000 0.811 495 E CB 0.060 29.292 29.700 -0.781 0.000 0.746 495 E HN 0.418 nan 8.360 nan 0.000 0.466 496 Y N -0.288 119.986 120.300 -0.044 0.000 2.636 496 Y HA 0.218 4.771 4.550 0.005 0.000 0.260 496 Y C 1.385 177.173 175.900 -0.187 0.000 1.177 496 Y CA -0.414 57.584 58.100 -0.170 0.000 1.209 496 Y CB 0.125 38.500 38.460 -0.142 0.000 1.166 496 Y HN 0.056 nan 8.280 nan 0.000 0.531 497 L N 0.258 121.478 121.223 -0.006 0.000 2.043 497 L HA -0.264 4.079 4.340 0.005 0.000 0.212 497 L C 1.867 178.710 176.870 -0.044 0.000 1.075 497 L CA 2.045 56.878 54.840 -0.012 0.000 0.752 497 L CB 0.063 42.127 42.059 0.008 0.000 0.891 497 L HN 0.297 nan 8.230 nan 0.000 0.432 498 E N -0.581 119.601 120.200 -0.030 0.000 2.502 498 E HA 0.068 4.422 4.350 0.005 0.000 0.194 498 E C 0.030 176.531 176.600 -0.164 0.000 1.062 498 E CA -0.106 56.290 56.400 -0.006 0.000 0.867 498 E CB 0.155 29.983 29.700 0.214 0.000 0.888 498 E HN 0.362 nan 8.360 nan 0.000 0.510 499 L N 0.935 121.957 121.223 -0.335 0.000 2.309 499 L HA 0.417 4.761 4.340 0.005 0.000 0.282 499 L C -0.139 176.444 176.870 -0.479 0.000 1.036 499 L CA -0.487 54.052 54.840 -0.502 0.000 0.806 499 L CB 1.429 43.059 42.059 -0.714 0.000 1.220 499 L HN -0.016 nan 8.230 nan 0.000 0.429 500 N N 1.633 120.044 118.700 -0.483 0.000 2.397 500 N HA 0.346 5.089 4.740 0.005 0.000 0.291 500 N C -1.814 173.527 175.510 -0.282 0.000 1.065 500 N CA -0.562 52.267 53.050 -0.368 0.000 0.884 500 N CB 1.866 40.261 38.487 -0.154 0.000 1.551 500 N HN 0.310 nan 8.380 nan 0.000 0.487 501 Y N 1.484 121.778 120.300 -0.010 0.000 2.360 501 Y HA 0.379 4.932 4.550 0.005 0.000 0.337 501 Y C 0.252 176.163 175.900 0.019 0.000 1.039 501 Y CA -0.478 57.626 58.100 0.006 0.000 1.109 501 Y CB 1.232 39.699 38.460 0.011 0.000 1.201 501 Y HN 0.163 nan 8.280 nan 0.000 0.458 502 K N 2.140 122.660 120.400 0.201 0.000 2.185 502 K HA 0.230 4.553 4.320 0.005 0.000 0.269 502 K C 0.439 177.110 176.600 0.118 0.000 0.987 502 K CA -0.500 55.863 56.287 0.127 0.000 0.865 502 K CB 1.308 33.866 32.500 0.097 0.000 1.090 502 K HN 0.738 nan 8.250 nan 0.000 0.450 503 E N 1.264 121.518 120.200 0.091 0.000 2.347 503 E HA -0.154 4.200 4.350 0.005 0.000 0.196 503 E C 0.471 177.106 176.600 0.059 0.000 1.008 503 E CA 0.933 57.375 56.400 0.071 0.000 0.852 503 E CB 0.218 29.951 29.700 0.055 0.000 0.783 503 E HN 0.569 nan 8.360 nan 0.000 0.505 504 D N 0.173 120.610 120.400 0.062 0.000 2.363 504 D HA -0.030 4.613 4.640 0.005 0.000 0.214 504 D C 0.157 176.502 176.300 0.076 0.000 1.093 504 D CA 0.229 54.263 54.000 0.056 0.000 0.837 504 D CB 0.297 41.123 40.800 0.043 0.000 0.948 504 D HN -0.082 nan 8.370 nan 0.000 0.507 505 E N 0.387 120.647 120.200 0.100 0.000 3.898 505 E HA 0.047 4.400 4.350 0.005 0.000 0.219 505 E C 0.126 176.811 176.600 0.141 0.000 1.207 505 E CA -0.710 55.761 56.400 0.118 0.000 1.240 505 E CB -0.137 29.625 29.700 0.104 0.000 1.239 505 E HN 0.251 nan 8.360 nan 0.000 0.422 506 Y N 0.583 120.894 120.300 0.018 0.000 2.069 506 Y HA -0.369 4.184 4.550 0.006 0.000 0.278 506 Y C 1.801 177.699 175.900 -0.003 0.000 1.175 506 Y CA 1.848 59.928 58.100 -0.034 0.000 1.134 506 Y CB -0.021 38.396 38.460 -0.073 0.000 0.965 506 Y HN 0.346 nan 8.280 nan 0.000 0.498 507 F N 1.155 121.007 119.950 -0.163 0.000 2.126 507 F HA -0.216 4.314 4.527 0.005 0.000 0.299 507 F C 2.048 177.747 175.800 -0.169 0.000 1.096 507 F CA 2.181 60.039 58.000 -0.237 0.000 1.255 507 F CB -0.272 38.658 39.000 -0.116 0.000 0.997 507 F HN 0.092 nan 8.300 nan 0.000 0.479 508 E N 0.147 120.426 120.200 0.132 0.000 2.153 508 E HA -0.198 4.156 4.350 0.005 0.000 0.194 508 E C 1.776 178.384 176.600 0.014 0.000 0.988 508 E CA 1.649 58.108 56.400 0.099 0.000 0.811 508 E CB -0.468 29.310 29.700 0.129 0.000 0.746 508 E HN 0.572 nan 8.360 nan 0.000 0.466 509 N N 0.412 119.093 118.700 -0.032 0.000 2.142 509 N HA -0.101 4.642 4.740 0.005 0.000 0.186 509 N C 2.001 177.469 175.510 -0.069 0.000 1.023 509 N CA 1.226 54.290 53.050 0.024 0.000 0.852 509 N CB -0.244 38.203 38.487 -0.066 0.000 0.998 509 N HN 0.258 nan 8.380 nan 0.000 0.424 510 I N -0.738 119.619 120.570 -0.355 0.000 2.315 510 I HA -0.155 4.018 4.170 0.005 0.000 0.248 510 I C 1.684 177.709 176.117 -0.153 0.000 1.117 510 I CA 1.270 62.381 61.300 -0.315 0.000 1.404 510 I CB -0.468 37.102 38.000 -0.717 0.000 1.071 510 I HN -0.005 nan 8.210 nan 0.000 0.419 511 I N 1.635 122.070 120.570 -0.224 0.000 2.142 511 I HA -0.276 3.897 4.170 0.005 0.000 0.240 511 I C 2.849 179.016 176.117 0.083 0.000 1.078 511 I CA 1.603 62.886 61.300 -0.028 0.000 1.343 511 I CB -1.536 36.469 38.000 0.008 0.000 1.046 511 I HN 0.464 nan 8.210 nan 0.000 0.405 512 Q N 0.726 120.574 119.800 0.080 0.000 2.096 512 Q HA -0.272 4.071 4.340 0.005 0.000 0.208 512 Q C 1.998 178.093 176.000 0.158 0.000 0.993 512 Q CA 2.060 57.932 55.803 0.115 0.000 0.862 512 Q CB 0.013 28.823 28.738 0.120 0.000 0.915 512 Q HN 0.474 nan 8.270 nan 0.000 0.416 513 N N 0.172 118.975 118.700 0.171 0.000 2.120 513 N HA -0.130 4.613 4.740 0.005 0.000 0.188 513 N C 1.850 177.475 175.510 0.192 0.000 1.024 513 N CA 1.020 54.190 53.050 0.201 0.000 0.852 513 N CB -0.348 38.251 38.487 0.187 0.000 1.003 513 N HN 0.268 nan 8.380 nan 0.000 0.424 514 L N 1.139 122.452 121.223 0.150 0.000 2.012 514 L HA -0.180 4.163 4.340 0.005 0.000 0.210 514 L C 2.243 179.162 176.870 0.082 0.000 1.073 514 L CA 1.346 56.264 54.840 0.131 0.000 0.748 514 L CB -0.374 41.798 42.059 0.189 0.000 0.891 514 L HN 0.155 nan 8.230 nan 0.000 0.431 515 K N -0.591 119.847 120.400 0.063 0.000 2.063 515 K HA -0.227 4.096 4.320 0.005 0.000 0.208 515 K C 2.077 178.702 176.600 0.042 0.000 1.048 515 K CA 1.757 58.036 56.287 -0.015 0.000 0.928 515 K CB -0.331 32.153 32.500 -0.027 0.000 0.713 515 K HN 0.113 nan 8.250 nan 0.000 0.442 516 F N 1.743 121.682 119.950 -0.017 0.000 2.075 516 F HA -0.237 4.293 4.527 0.006 0.000 0.297 516 F C 2.227 178.017 175.800 -0.017 0.000 1.113 516 F CA 1.624 59.617 58.000 -0.011 0.000 1.218 516 F CB -0.081 38.930 39.000 0.020 0.000 0.984 516 F HN -0.102 nan 8.300 nan 0.000 0.472 517 S N -0.470 115.290 115.700 0.100 0.000 2.402 517 S HA -0.225 4.248 4.470 0.005 0.000 0.229 517 S C 1.725 176.263 174.600 -0.103 0.000 1.021 517 S CA 1.238 59.436 58.200 -0.004 0.000 0.974 517 S CB -0.339 62.910 63.200 0.083 0.000 0.800 517 S HN 0.455 nan 8.310 nan 0.000 0.484 518 Q N 1.592 121.342 119.800 -0.084 0.000 2.123 518 Q HA 0.094 4.437 4.340 0.005 0.000 0.196 518 Q C 2.226 178.143 176.000 -0.139 0.000 0.958 518 Q CA 1.506 57.252 55.803 -0.095 0.000 0.841 518 Q CB -0.708 27.985 28.738 -0.076 0.000 0.915 518 Q HN 0.377 nan 8.270 nan 0.000 0.455 519 S N -0.244 115.353 115.700 -0.170 0.000 2.383 519 S HA -0.191 4.282 4.470 0.005 0.000 0.229 519 S C 1.871 176.323 174.600 -0.245 0.000 1.030 519 S CA 1.520 59.604 58.200 -0.193 0.000 1.002 519 S CB -0.219 62.866 63.200 -0.191 0.000 0.829 519 S HN 0.403 nan 8.310 nan 0.000 0.467 520 K N -0.076 120.113 120.400 -0.352 0.000 2.057 520 K HA -0.134 4.189 4.320 0.005 0.000 0.207 520 K C 2.439 178.900 176.600 -0.232 0.000 1.049 520 K CA 1.599 57.669 56.287 -0.362 0.000 0.931 520 K CB -0.221 31.990 32.500 -0.482 0.000 0.714 520 K HN 0.303 nan 8.250 nan 0.000 0.440 521 Q N 0.946 120.632 119.800 -0.189 0.000 2.083 521 Q HA -0.024 4.319 4.340 0.005 0.000 0.198 521 Q C 1.894 177.797 176.000 -0.161 0.000 0.969 521 Q CA 1.238 56.945 55.803 -0.160 0.000 0.838 521 Q CB -0.096 28.578 28.738 -0.107 0.000 0.900 521 Q HN 0.287 nan 8.270 nan 0.000 0.436 522 L N 0.596 121.737 121.223 -0.136 0.000 2.046 522 L HA -0.170 4.173 4.340 0.005 0.000 0.208 522 L C 2.295 179.094 176.870 -0.119 0.000 1.077 522 L CA 1.810 56.581 54.840 -0.115 0.000 0.747 522 L CB -0.619 41.377 42.059 -0.106 0.000 0.896 522 L HN 0.282 nan 8.230 nan 0.000 0.432 523 K N 0.366 120.689 120.400 -0.128 0.000 2.515 523 K HA -0.150 4.173 4.320 0.005 0.000 0.196 523 K C 1.726 178.270 176.600 -0.093 0.000 1.038 523 K CA 1.109 57.334 56.287 -0.104 0.000 0.967 523 K CB -0.057 32.376 32.500 -0.112 0.000 0.780 523 K HN 0.177 nan 8.250 nan 0.000 0.483 524 K N 0.544 120.856 120.400 -0.146 0.000 2.486 524 K HA -0.035 4.288 4.320 0.005 0.000 0.194 524 K C 1.648 178.224 176.600 -0.040 0.000 1.033 524 K CA 0.156 56.336 56.287 -0.179 0.000 1.004 524 K CB -0.051 32.143 32.500 -0.510 0.000 0.798 524 K HN 0.146 nan 8.250 nan 0.000 0.495 525 L N 1.497 122.699 121.223 -0.035 0.000 1.971 525 L HA -0.218 4.125 4.340 0.005 0.000 0.215 525 L C 1.673 178.607 176.870 0.107 0.000 1.072 525 L CA 1.933 56.798 54.840 0.041 0.000 0.758 525 L CB -0.193 41.863 42.059 -0.006 0.000 0.889 525 L HN 0.039 nan 8.230 nan 0.000 0.433 526 R N 0.113 120.649 120.500 0.060 0.000 2.317 526 R HA 0.194 4.537 4.340 0.005 0.000 0.208 526 R C -0.001 176.334 176.300 0.058 0.000 0.914 526 R CA 0.027 56.154 56.100 0.045 0.000 1.060 526 R CB -0.385 29.924 30.300 0.014 0.000 1.015 526 R HN 0.440 nan 8.270 nan 0.000 0.498 527 E N 1.099 121.370 120.200 0.118 0.000 2.227 527 E HA 0.264 4.617 4.350 0.005 0.000 0.268 527 E C -0.226 176.428 176.600 0.091 0.000 0.990 527 E CA -0.618 55.844 56.400 0.104 0.000 0.856 527 E CB 1.636 31.399 29.700 0.105 0.000 1.159 527 E HN -0.087 nan 8.360 nan 0.000 0.401 528 K N 0.209 120.614 120.400 0.008 0.000 2.168 528 K HA 0.244 4.568 4.320 0.005 0.000 0.258 528 K C -0.155 176.389 176.600 -0.092 0.000 1.010 528 K CA -0.528 55.706 56.287 -0.088 0.000 0.929 528 K CB 0.597 33.065 32.500 -0.053 0.000 0.998 528 K HN 0.149 nan 8.250 nan 0.000 0.479 529 V N 2.165 121.940 119.914 -0.231 0.000 2.572 529 V HA -0.057 4.066 4.120 0.005 0.000 0.291 529 V C 0.196 176.280 176.094 -0.016 0.000 1.039 529 V CA -0.116 62.123 62.300 -0.101 0.000 1.055 529 V CB 0.739 32.478 31.823 -0.140 0.000 0.969 529 V HN 0.707 nan 8.190 nan 0.000 0.482 530 D N 4.192 124.611 120.400 0.033 0.000 2.316 530 D HA 0.168 4.811 4.640 0.005 0.000 0.245 530 D C 0.881 177.186 176.300 0.009 0.000 1.171 530 D CA -0.308 53.705 54.000 0.021 0.000 0.856 530 D CB 1.204 42.023 40.800 0.033 0.000 1.090 530 D HN 0.531 nan 8.370 nan 0.000 0.476 531 K N 2.343 122.742 120.400 -0.003 0.000 2.432 531 K HA -0.025 4.298 4.320 0.005 0.000 0.196 531 K C 0.507 177.105 176.600 -0.003 0.000 1.038 531 K CA 0.325 56.602 56.287 -0.017 0.000 0.986 531 K CB 0.565 33.051 32.500 -0.022 0.000 0.782 531 K HN 0.305 nan 8.250 nan 0.000 0.485 532 D N 1.454 121.871 120.400 0.029 0.000 2.289 532 D HA -0.063 4.580 4.640 0.005 0.000 0.207 532 D C 0.306 176.694 176.300 0.146 0.000 0.966 532 D CA 0.558 54.604 54.000 0.075 0.000 0.868 532 D CB 0.141 40.985 40.800 0.074 0.000 0.943 532 D HN 0.258 nan 8.370 nan 0.000 0.514 533 E N 0.153 120.412 120.200 0.099 0.000 2.316 533 E HA 0.058 4.411 4.350 0.005 0.000 0.275 533 E C -0.573 176.134 176.600 0.178 0.000 1.029 533 E CA -0.595 55.889 56.400 0.139 0.000 0.871 533 E CB 0.608 30.345 29.700 0.062 0.000 1.022 533 E HN -0.104 nan 8.360 nan 0.000 0.418 534 W N 4.386 125.639 121.300 -0.078 0.000 2.251 534 W HA 0.198 4.861 4.660 0.005 0.000 0.329 534 W C 1.167 177.591 176.519 -0.158 0.000 1.234 534 W CA -0.611 56.669 57.345 -0.109 0.000 1.228 534 W CB 0.464 29.870 29.460 -0.090 0.000 1.135 534 W HN 0.533 nan 8.180 nan 0.000 0.576 535 I N -0.374 120.156 120.570 -0.067 0.000 3.793 535 I HA 0.212 4.385 4.170 0.005 0.000 0.315 535 I C 0.468 176.349 176.117 -0.392 0.000 1.275 535 I CA 0.261 61.427 61.300 -0.223 0.000 1.214 535 I CB -0.020 37.795 38.000 -0.308 0.000 1.018 535 I HN 0.168 nan 8.210 nan 0.000 0.439 536 S N 0.551 116.095 115.700 -0.259 0.000 2.540 536 S HA 0.698 5.171 4.470 0.005 0.000 0.275 536 S C 0.104 174.704 174.600 0.001 0.000 1.123 536 S CA -0.310 57.718 58.200 -0.286 0.000 0.907 536 S CB 1.569 64.459 63.200 -0.517 0.000 1.081 536 S HN 0.409 nan 8.310 nan 0.000 0.476 537 G N 1.423 110.206 108.800 -0.028 0.000 2.664 537 G HA2 0.457 4.420 3.960 0.005 0.000 0.242 537 G HA3 0.457 4.420 3.960 0.005 0.000 0.242 537 G C 1.127 176.037 174.900 0.017 0.000 1.225 537 G CA 0.059 45.150 45.100 -0.015 0.000 0.849 537 G HN 1.115 nan 8.290 nan 0.000 0.581 538 A N 0.670 123.479 122.820 -0.018 0.000 2.014 538 A HA 0.383 4.706 4.320 0.005 0.000 0.218 538 A C 2.048 179.600 177.584 -0.054 0.000 1.163 538 A CA 1.657 53.699 52.037 0.008 0.000 0.652 538 A CB -0.154 18.850 19.000 0.007 0.000 0.808 538 A HN 1.446 nan 8.150 nan 0.000 0.449 539 A N 0.319 123.039 122.820 -0.166 0.000 3.202 539 A HA 0.544 4.867 4.320 0.005 0.000 0.258 539 A C -0.409 176.972 177.584 -0.338 0.000 1.572 539 A CA -0.131 51.603 52.037 -0.506 0.000 1.241 539 A CB -0.593 18.113 19.000 -0.490 0.000 1.127 539 A HN 0.270 nan 8.150 nan 0.000 0.648 540 V N 0.398 120.200 119.914 -0.188 0.000 2.686 540 V HA 0.194 4.317 4.120 0.005 0.000 0.306 540 V C -0.277 175.782 176.094 -0.058 0.000 1.065 540 V CA -0.550 61.713 62.300 -0.062 0.000 0.894 540 V CB 2.167 34.050 31.823 0.100 0.000 1.004 540 V HN 0.155 nan 8.190 nan 0.000 0.424 541 V N 5.105 124.957 119.914 -0.104 0.000 2.222 541 V HA 0.496 4.619 4.120 0.005 0.000 0.253 541 V C 0.123 176.175 176.094 -0.070 0.000 1.210 541 V CA 0.170 62.376 62.300 -0.158 0.000 1.079 541 V CB -0.473 31.148 31.823 -0.338 0.000 1.265 541 V HN 0.895 nan 8.190 nan 0.000 0.494 542 N N 1.604 120.274 118.700 -0.051 0.000 3.355 542 N HA 0.774 5.518 4.740 0.005 0.000 0.238 542 N C -1.193 174.143 175.510 -0.289 0.000 1.466 542 N CA 0.166 53.127 53.050 -0.148 0.000 0.882 542 N CB 2.253 40.589 38.487 -0.252 0.000 1.406 542 N HN 0.458 nan 8.380 nan 0.000 0.500 543 A N 0.006 122.502 122.820 -0.539 0.000 2.530 543 A HA 0.904 5.227 4.320 0.005 0.000 0.288 543 A C -1.812 175.261 177.584 -0.851 0.000 1.172 543 A CA -0.363 51.387 52.037 -0.480 0.000 0.733 543 A CB 1.028 19.918 19.000 -0.183 0.000 1.320 543 A HN 0.368 nan 8.150 nan 0.000 0.419 544 F N -1.262 118.574 119.950 -0.189 0.000 2.619 544 F HA 0.569 5.100 4.527 0.005 0.000 0.308 544 F C -0.943 174.797 175.800 -0.099 0.000 1.097 544 F CA -0.368 57.563 58.000 -0.114 0.000 0.953 544 F CB 2.019 40.935 39.000 -0.140 0.000 1.287 544 F HN 0.646 nan 8.300 nan 0.000 0.446 545 Y N 1.057 121.363 120.300 0.010 0.000 2.425 545 Y HA 0.653 5.206 4.550 0.005 0.000 0.344 545 Y C -0.843 174.996 175.900 -0.102 0.000 0.969 545 Y CA -0.907 57.154 58.100 -0.064 0.000 1.052 545 Y CB 2.051 40.495 38.460 -0.027 0.000 1.215 545 Y HN 0.532 nan 8.280 nan 0.000 0.451 546 S N 3.022 118.171 115.700 -0.918 0.000 2.478 546 S HA 0.358 4.831 4.470 0.005 0.000 0.312 546 S C 0.427 174.362 174.600 -1.108 0.000 1.094 546 S CA 0.002 57.742 58.200 -0.766 0.000 1.081 546 S CB 0.796 63.717 63.200 -0.466 0.000 1.007 546 S HN 0.854 nan 8.310 nan 0.000 0.475 547 S N 4.099 119.351 115.700 -0.747 0.000 2.395 547 S HA 0.072 4.545 4.470 0.005 0.000 0.225 547 S C 2.032 176.347 174.600 -0.475 0.000 1.027 547 S CA 0.742 58.569 58.200 -0.622 0.000 0.965 547 S CB -1.059 61.618 63.200 -0.872 0.000 0.812 547 S HN 0.870 nan 8.310 nan 0.000 0.482 548 G N 1.588 110.153 108.800 -0.392 0.000 2.448 548 G HA2 -0.107 3.857 3.960 0.005 0.000 0.219 548 G HA3 -0.107 3.857 3.960 0.005 0.000 0.219 548 G C 1.662 176.486 174.900 -0.126 0.000 1.127 548 G CA 0.296 45.311 45.100 -0.143 0.000 0.766 548 G HN 0.511 nan 8.290 nan 0.000 0.552 549 R N -0.634 119.730 120.500 -0.226 0.000 2.365 549 R HA 0.155 4.498 4.340 0.005 0.000 0.223 549 R C 0.605 176.776 176.300 -0.215 0.000 0.899 549 R CA 0.031 56.013 56.100 -0.197 0.000 1.059 549 R CB -0.016 30.154 30.300 -0.218 0.000 1.086 549 R HN 0.395 nan 8.270 nan 0.000 0.522 550 N N 2.385 120.913 118.700 -0.288 0.000 2.686 550 N HA -0.241 4.502 4.740 0.005 0.000 0.261 550 N C -0.906 174.487 175.510 -0.196 0.000 1.001 550 N CA 0.415 53.329 53.050 -0.227 0.000 0.764 550 N CB -0.263 38.185 38.487 -0.065 0.000 0.898 550 N HN 0.377 nan 8.380 nan 0.000 0.544 551 Q N 1.809 121.392 119.800 -0.362 0.000 2.305 551 Q HA 0.568 4.911 4.340 0.005 0.000 0.271 551 Q C -0.655 175.221 176.000 -0.208 0.000 1.046 551 Q CA -0.949 54.701 55.803 -0.254 0.000 0.798 551 Q CB 1.366 29.924 28.738 -0.300 0.000 1.286 551 Q HN 0.434 nan 8.270 nan 0.000 0.435 552 I N 0.463 120.970 120.570 -0.106 0.000 2.412 552 I HA 0.776 4.949 4.170 0.005 0.000 0.296 552 I C -0.989 174.885 176.117 -0.405 0.000 0.987 552 I CA -1.125 60.080 61.300 -0.157 0.000 1.180 552 I CB 1.883 39.898 38.000 0.025 0.000 1.340 552 I HN 0.285 nan 8.210 nan 0.000 0.455 553 V N 5.833 125.371 119.914 -0.626 0.000 2.577 553 V HA 0.448 4.571 4.120 0.005 0.000 0.303 553 V C -1.038 174.660 176.094 -0.659 0.000 1.042 553 V CA -0.314 61.678 62.300 -0.513 0.000 0.872 553 V CB 1.646 33.314 31.823 -0.259 0.000 0.998 553 V HN 0.598 nan 8.190 nan 0.000 0.423 554 F N 4.963 124.940 119.950 0.045 0.000 2.564 554 F HA 0.478 5.008 4.527 0.006 0.000 0.361 554 F C -2.421 173.433 175.800 0.091 0.000 1.161 554 F CA -2.446 55.583 58.000 0.048 0.000 1.198 554 F CB 1.261 40.249 39.000 -0.019 0.000 1.424 554 F HN 0.299 nan 8.300 nan 0.000 0.517 555 P HA 0.006 nan 4.420 nan 0.000 0.267 555 P C 0.791 178.121 177.300 0.050 0.000 1.200 555 P CA 0.310 63.531 63.100 0.200 0.000 0.772 555 P CB 0.992 32.809 31.700 0.193 0.000 0.855 556 A N 3.814 126.561 122.820 -0.121 0.000 1.958 556 A HA -0.211 4.112 4.320 0.005 0.000 0.221 556 A C 2.387 179.957 177.584 -0.023 0.000 1.178 556 A CA 2.432 54.204 52.037 -0.442 0.000 0.642 556 A CB -1.944 16.578 19.000 -0.797 0.000 0.816 556 A HN 0.661 nan 8.150 nan 0.000 0.453 557 G N -0.668 108.164 108.800 0.054 0.000 2.475 557 G HA2 -0.228 3.735 3.960 0.005 0.000 0.220 557 G HA3 -0.228 3.735 3.960 0.005 0.000 0.220 557 G C 1.420 176.344 174.900 0.039 0.000 1.125 557 G CA 1.175 46.300 45.100 0.042 0.000 0.755 557 G HN 0.583 nan 8.290 nan 0.000 0.565 558 I N 0.297 120.869 120.570 0.003 0.000 3.883 558 I HA 0.300 4.473 4.170 0.005 0.000 0.326 558 I C 0.378 176.508 176.117 0.023 0.000 1.283 558 I CA -0.133 61.114 61.300 -0.088 0.000 1.161 558 I CB 0.240 38.094 38.000 -0.244 0.000 1.012 558 I HN -0.038 nan 8.210 nan 0.000 0.421 559 L N 3.197 124.512 121.223 0.155 0.000 2.536 559 L HA 0.261 4.605 4.340 0.005 0.000 0.242 559 L C -0.282 176.867 176.870 0.465 0.000 1.280 559 L CA -0.028 54.996 54.840 0.307 0.000 1.221 559 L CB -0.552 41.696 42.059 0.316 0.000 1.449 559 L HN 0.326 nan 8.230 nan 0.000 0.405 560 Q N -0.052 119.983 119.800 0.393 0.000 2.575 560 Q HA 0.564 4.907 4.340 0.005 0.000 0.290 560 Q C -3.022 173.133 176.000 0.257 0.000 0.963 560 Q CA -2.263 53.718 55.803 0.297 0.000 0.783 560 Q CB 1.615 30.495 28.738 0.238 0.000 1.467 560 Q HN -0.130 nan 8.270 nan 0.000 0.402 561 P HA 0.055 nan 4.420 nan 0.000 0.266 561 P C -1.993 175.329 177.300 0.036 0.000 1.195 561 P CA -0.718 62.414 63.100 0.053 0.000 0.768 561 P CB 0.276 31.975 31.700 -0.001 0.000 0.838 562 P HA 0.061 nan 4.420 nan 0.000 0.255 562 P C 0.896 178.102 177.300 -0.156 0.000 1.248 562 P CA 0.481 63.480 63.100 -0.168 0.000 0.807 562 P CB 0.049 31.575 31.700 -0.290 0.000 1.150 563 F N 0.067 120.026 119.950 0.015 0.000 2.084 563 F HA 0.078 4.608 4.527 0.005 0.000 0.296 563 F C 1.291 177.173 175.800 0.136 0.000 1.111 563 F CA 1.433 59.467 58.000 0.058 0.000 1.224 563 F CB -0.384 38.669 39.000 0.088 0.000 0.991 563 F HN -0.144 nan 8.300 nan 0.000 0.471 564 F N -0.562 119.494 119.950 0.177 0.000 2.615 564 F HA 0.524 5.055 4.527 0.005 0.000 0.312 564 F C -0.719 175.124 175.800 0.071 0.000 1.119 564 F CA -1.094 56.956 58.000 0.084 0.000 0.979 564 F CB 1.607 40.655 39.000 0.079 0.000 1.266 564 F HN -0.293 nan 8.300 nan 0.000 0.444 565 S N 3.844 118.963 115.700 -0.968 0.000 2.543 565 S HA 0.644 5.117 4.470 0.005 0.000 0.271 565 S C 0.281 174.219 174.600 -1.104 0.000 1.148 565 S CA -0.031 57.563 58.200 -1.011 0.000 0.914 565 S CB 1.472 64.452 63.200 -0.367 0.000 1.096 565 S HN 1.369 nan 8.310 nan 0.000 0.471 566 A N 2.938 125.241 122.820 -0.861 0.000 2.076 566 A HA -0.072 4.251 4.320 0.005 0.000 0.220 566 A C 1.659 179.120 177.584 -0.206 0.000 1.160 566 A CA 1.747 53.581 52.037 -0.339 0.000 0.653 566 A CB -0.507 18.448 19.000 -0.075 0.000 0.801 566 A HN 0.770 nan 8.150 nan 0.000 0.455 567 Q N -0.756 118.916 119.800 -0.214 0.000 2.384 567 Q HA 0.094 4.438 4.340 0.005 0.000 0.207 567 Q C 0.947 176.887 176.000 -0.100 0.000 0.904 567 Q CA 0.549 56.283 55.803 -0.116 0.000 0.933 567 Q CB 0.272 28.957 28.738 -0.088 0.000 1.077 567 Q HN 0.929 nan 8.270 nan 0.000 0.522 568 Q N -0.759 118.950 119.800 -0.152 0.000 2.212 568 Q HA 0.486 4.829 4.340 0.005 0.000 0.238 568 Q C -0.545 175.418 176.000 -0.063 0.000 0.955 568 Q CA -0.611 55.136 55.803 -0.093 0.000 0.906 568 Q CB 1.072 29.744 28.738 -0.109 0.000 1.215 568 Q HN -0.133 nan 8.270 nan 0.000 0.478 569 S N 1.868 117.570 115.700 0.003 0.000 2.563 569 S HA -0.030 4.444 4.470 0.005 0.000 0.284 569 S C 0.901 175.485 174.600 -0.027 0.000 1.331 569 S CA -0.382 57.834 58.200 0.027 0.000 1.047 569 S CB 0.289 63.589 63.200 0.167 0.000 0.859 569 S HN 0.685 nan 8.310 nan 0.000 0.514 570 N N 2.331 121.000 118.700 -0.052 0.000 2.094 570 N HA -0.162 4.582 4.740 0.005 0.000 0.191 570 N C 2.149 177.626 175.510 -0.055 0.000 1.023 570 N CA 1.628 54.649 53.050 -0.048 0.000 0.857 570 N CB -0.555 37.810 38.487 -0.203 0.000 1.013 570 N HN 0.765 nan 8.380 nan 0.000 0.426 571 S N 1.785 117.339 115.700 -0.243 0.000 2.370 571 S HA -0.095 4.379 4.470 0.005 0.000 0.226 571 S C 2.212 176.734 174.600 -0.131 0.000 1.033 571 S CA 0.811 58.719 58.200 -0.486 0.000 1.011 571 S CB -0.840 62.374 63.200 0.024 0.000 0.852 571 S HN 0.250 nan 8.310 nan 0.000 0.457 572 L N 1.588 122.795 121.223 -0.027 0.000 2.046 572 L HA -0.112 4.231 4.340 0.005 0.000 0.208 572 L C 2.755 179.590 176.870 -0.059 0.000 1.077 572 L CA 1.433 56.250 54.840 -0.039 0.000 0.747 572 L CB -1.012 41.041 42.059 -0.010 0.000 0.896 572 L HN 0.322 nan 8.230 nan 0.000 0.432 573 N N -0.298 118.376 118.700 -0.044 0.000 2.084 573 N HA -0.200 4.543 4.740 0.005 0.000 0.190 573 N C 1.865 177.339 175.510 -0.059 0.000 1.030 573 N CA 1.559 54.593 53.050 -0.027 0.000 0.849 573 N CB -0.428 38.024 38.487 -0.058 0.000 1.012 573 N HN 0.327 nan 8.380 nan 0.000 0.423 574 Y N 0.620 120.897 120.300 -0.038 0.000 2.200 574 Y HA 0.004 4.557 4.550 0.005 0.000 0.290 574 Y C 2.531 178.400 175.900 -0.053 0.000 1.137 574 Y CA 1.272 59.413 58.100 0.069 0.000 1.163 574 Y CB -0.632 37.943 38.460 0.190 0.000 0.988 574 Y HN 0.096 nan 8.280 nan 0.000 0.518 575 G N -1.025 107.534 108.800 -0.401 0.000 2.650 575 G HA2 0.072 4.035 3.960 0.005 0.000 0.214 575 G HA3 0.072 4.035 3.960 0.005 0.000 0.214 575 G C 1.513 176.272 174.900 -0.236 0.000 1.136 575 G CA 0.783 45.238 45.100 -1.075 0.000 0.789 575 G HN 0.509 nan 8.290 nan 0.000 0.536 576 G N 0.695 109.454 108.800 -0.069 0.000 2.543 576 G HA2 0.193 4.156 3.960 0.005 0.000 0.221 576 G HA3 0.193 4.156 3.960 0.005 0.000 0.221 576 G C 1.301 176.375 174.900 0.290 0.000 1.902 576 G CA 0.363 45.508 45.100 0.075 0.000 0.838 576 G HN 0.109 nan 8.290 nan 0.000 0.650 577 I N 2.113 122.856 120.570 0.289 0.000 2.361 577 I HA 0.050 4.223 4.170 0.005 0.000 0.251 577 I C 2.696 178.851 176.117 0.064 0.000 1.133 577 I CA 1.532 62.945 61.300 0.190 0.000 1.413 577 I CB -0.545 37.515 38.000 0.101 0.000 1.073 577 I HN 0.226 nan 8.210 nan 0.000 0.424 578 G N 0.228 109.061 108.800 0.055 0.000 2.446 578 G HA2 -0.357 3.606 3.960 0.005 0.000 0.217 578 G HA3 -0.357 3.606 3.960 0.005 0.000 0.217 578 G C 1.653 176.675 174.900 0.203 0.000 1.168 578 G CA 1.184 46.339 45.100 0.093 0.000 0.771 578 G HN 0.432 nan 8.290 nan 0.000 0.551 579 M N 0.720 120.471 119.600 0.251 0.000 2.108 579 M HA -0.018 4.465 4.480 0.005 0.000 0.261 579 M C 2.368 178.870 176.300 0.337 0.000 1.066 579 M CA 1.438 56.936 55.300 0.330 0.000 1.107 579 M CB -0.453 32.398 32.600 0.418 0.000 1.356 579 M HN 0.012 nan 8.290 nan 0.000 0.406 580 V N 0.265 120.353 119.914 0.291 0.000 2.358 580 V HA -0.259 3.864 4.120 0.005 0.000 0.246 580 V C 2.404 178.718 176.094 0.366 0.000 1.047 580 V CA 2.060 64.528 62.300 0.279 0.000 1.035 580 V CB -0.770 31.160 31.823 0.178 0.000 0.658 580 V HN 0.559 nan 8.190 nan 0.000 0.452 581 I N 0.936 121.642 120.570 0.227 0.000 2.163 581 I HA -0.209 3.964 4.170 0.005 0.000 0.243 581 I C 2.590 178.884 176.117 0.294 0.000 1.085 581 I CA 1.935 63.366 61.300 0.218 0.000 1.347 581 I CB -0.914 37.017 38.000 -0.115 0.000 1.044 581 I HN 0.398 nan 8.210 nan 0.000 0.408 582 G N -0.781 108.170 108.800 0.251 0.000 2.408 582 G HA2 -0.315 3.649 3.960 0.005 0.000 0.217 582 G HA3 -0.315 3.649 3.960 0.005 0.000 0.217 582 G C 1.459 176.496 174.900 0.228 0.000 1.150 582 G CA 1.162 46.402 45.100 0.232 0.000 0.776 582 G HN 0.465 nan 8.290 nan 0.000 0.542 583 H N 0.602 119.784 119.070 0.187 0.000 2.289 583 H HA -0.096 4.464 4.556 0.005 0.000 0.296 583 H C 2.532 177.908 175.328 0.080 0.000 1.091 583 H CA 2.098 58.221 56.048 0.126 0.000 1.274 583 H CB 0.215 30.087 29.762 0.183 0.000 1.364 583 H HN 0.224 nan 8.280 nan 0.000 0.490 584 E N 0.520 120.966 120.200 0.410 0.000 2.077 584 E HA -0.137 4.216 4.350 0.005 0.000 0.193 584 E C 2.600 179.258 176.600 0.097 0.000 0.989 584 E CA 1.106 57.718 56.400 0.353 0.000 0.800 584 E CB -0.359 29.517 29.700 0.293 0.000 0.746 584 E HN 0.617 nan 8.360 nan 0.000 0.452 585 I N 1.125 121.743 120.570 0.080 0.000 2.163 585 I HA -0.278 3.895 4.170 0.005 0.000 0.243 585 I C 2.154 178.143 176.117 -0.212 0.000 1.085 585 I CA 1.564 62.811 61.300 -0.089 0.000 1.347 585 I CB -0.416 37.523 38.000 -0.100 0.000 1.044 585 I HN 0.061 nan 8.210 nan 0.000 0.408 586 T N -1.072 113.389 114.554 -0.156 0.000 2.962 586 T HA -0.154 4.199 4.350 0.005 0.000 0.270 586 T C 1.763 176.382 174.700 -0.136 0.000 1.088 586 T CA 0.842 62.868 62.100 -0.123 0.000 1.127 586 T CB -0.372 68.475 68.868 -0.034 0.000 0.883 586 T HN 0.323 nan 8.240 nan 0.000 0.493 587 H N 0.794 119.684 119.070 -0.299 0.000 2.456 587 H HA 0.030 4.589 4.556 0.005 0.000 0.296 587 H C 2.482 177.424 175.328 -0.644 0.000 1.079 587 H CA 1.104 56.919 56.048 -0.387 0.000 1.322 587 H CB -0.525 29.023 29.762 -0.357 0.000 1.388 587 H HN 0.445 nan 8.280 nan 0.000 0.538 588 G N -1.366 106.874 108.800 -0.935 0.000 2.708 588 G HA2 -0.120 3.843 3.960 0.005 0.000 0.210 588 G HA3 -0.120 3.843 3.960 0.005 0.000 0.210 588 G C 0.482 174.959 174.900 -0.705 0.000 1.141 588 G CA 0.203 44.741 45.100 -0.936 0.000 0.788 588 G HN 0.283 nan 8.290 nan 0.000 0.531 589 F N 0.166 120.105 119.950 -0.018 0.000 2.859 589 F HA 0.222 4.753 4.527 0.006 0.000 0.324 589 F C 0.406 176.536 175.800 0.549 0.000 1.158 589 F CA -1.129 57.032 58.000 0.268 0.000 1.147 589 F CB 0.412 39.319 39.000 -0.155 0.000 1.137 589 F HN 0.045 nan 8.300 nan 0.000 0.516 590 D N -0.665 120.008 120.400 0.455 0.000 2.511 590 D HA 0.027 4.670 4.640 0.005 0.000 0.276 590 D C 1.194 177.726 176.300 0.387 0.000 1.220 590 D CA -0.161 54.147 54.000 0.513 0.000 1.077 590 D CB 0.276 41.248 40.800 0.286 0.000 1.126 590 D HN 0.064 nan 8.370 nan 0.000 0.583 591 D N -1.340 119.286 120.400 0.377 0.000 2.310 591 D HA -0.209 4.434 4.640 0.005 0.000 0.212 591 D C 0.982 177.320 176.300 0.062 0.000 0.965 591 D CA 0.643 54.778 54.000 0.224 0.000 0.879 591 D CB -0.318 40.625 40.800 0.237 0.000 0.921 591 D HN 0.495 nan 8.370 nan 0.000 0.510 592 N N 0.970 119.743 118.700 0.121 0.000 2.319 592 N HA -0.060 4.683 4.740 0.005 0.000 0.189 592 N C 1.933 177.582 175.510 0.232 0.000 1.042 592 N CA 1.141 54.280 53.050 0.148 0.000 0.879 592 N CB -0.207 38.359 38.487 0.132 0.000 1.052 592 N HN 0.187 nan 8.380 nan 0.000 0.446 593 G N 1.012 109.937 108.800 0.209 0.000 3.026 593 G HA2 -0.088 3.875 3.960 0.005 0.000 0.208 593 G HA3 -0.088 3.875 3.960 0.005 0.000 0.208 593 G C 1.518 176.569 174.900 0.252 0.000 1.169 593 G CA -0.081 45.166 45.100 0.245 0.000 0.788 593 G HN 0.552 nan 8.290 nan 0.000 0.533 594 R N -0.520 120.092 120.500 0.187 0.000 2.246 594 R HA 0.151 4.494 4.340 0.005 0.000 0.199 594 R C 1.331 177.671 176.300 0.067 0.000 0.984 594 R CA 0.476 56.700 56.100 0.206 0.000 1.015 594 R CB -0.279 29.948 30.300 -0.121 0.000 0.930 594 R HN 0.071 nan 8.270 nan 0.000 0.475 595 N N 0.245 118.965 118.700 0.034 0.000 2.515 595 N HA 0.004 4.747 4.740 0.005 0.000 0.185 595 N C -0.624 174.856 175.510 -0.050 0.000 1.109 595 N CA 0.646 53.631 53.050 -0.107 0.000 0.903 595 N CB 0.121 38.500 38.487 -0.180 0.000 0.969 595 N HN 0.143 nan 8.380 nan 0.000 0.450 596 F N 1.007 121.087 119.950 0.217 0.000 2.458 596 F HA 0.270 4.800 4.527 0.005 0.000 0.330 596 F C 1.055 177.107 175.800 0.420 0.000 1.082 596 F CA -1.246 56.900 58.000 0.245 0.000 0.995 596 F CB 1.185 40.271 39.000 0.143 0.000 1.170 596 F HN -0.076 nan 8.300 nan 0.000 0.478 597 N N 1.526 120.480 118.700 0.423 0.000 2.593 597 N HA 0.221 4.964 4.740 0.005 0.000 0.304 597 N C 0.749 176.266 175.510 0.011 0.000 1.296 597 N CA -0.785 52.366 53.050 0.167 0.000 0.950 597 N CB 0.787 39.345 38.487 0.117 0.000 1.127 597 N HN 0.678 nan 8.380 nan 0.000 0.587 598 K N -0.860 119.462 120.400 -0.130 0.000 2.280 598 K HA -0.116 4.207 4.320 0.005 0.000 0.202 598 K C -0.175 176.397 176.600 -0.048 0.000 1.047 598 K CA 1.486 57.703 56.287 -0.116 0.000 0.942 598 K CB -0.073 32.341 32.500 -0.143 0.000 0.739 598 K HN 0.482 nan 8.250 nan 0.000 0.457 599 D N 0.115 120.506 120.400 -0.015 0.000 2.395 599 D HA 0.114 4.758 4.640 0.005 0.000 0.213 599 D C 0.655 176.970 176.300 0.025 0.000 1.110 599 D CA 0.697 54.694 54.000 -0.006 0.000 0.835 599 D CB 0.964 41.760 40.800 -0.008 0.000 0.965 599 D HN 0.500 nan 8.370 nan 0.000 0.505 600 G N 1.438 110.284 108.800 0.077 0.000 2.141 600 G HA2 -0.206 3.757 3.960 0.005 0.000 0.242 600 G HA3 -0.206 3.757 3.960 0.005 0.000 0.242 600 G C -0.227 174.845 174.900 0.286 0.000 0.982 600 G CA -0.283 44.902 45.100 0.142 0.000 0.662 600 G HN 0.187 nan 8.290 nan 0.000 0.527 601 D N -0.083 120.439 120.400 0.202 0.000 2.210 601 D HA 0.407 5.050 4.640 0.005 0.000 0.249 601 D C 0.421 176.728 176.300 0.012 0.000 1.062 601 D CA -0.529 53.546 54.000 0.124 0.000 0.891 601 D CB 1.744 42.567 40.800 0.038 0.000 1.186 601 D HN 0.124 nan 8.370 nan 0.000 0.432 602 L N 3.494 124.561 121.223 -0.261 0.000 2.454 602 L HA 0.231 4.575 4.340 0.005 0.000 0.284 602 L C -0.725 175.947 176.870 -0.330 0.000 1.139 602 L CA 0.167 54.616 54.840 -0.650 0.000 0.911 602 L CB -0.018 41.550 42.059 -0.818 0.000 1.262 602 L HN 0.118 nan 8.230 nan 0.000 0.453 603 V N 4.522 124.337 119.914 -0.165 0.000 2.891 603 V HA 0.377 4.500 4.120 0.005 0.000 0.304 603 V C -1.150 174.974 176.094 0.049 0.000 1.171 603 V CA -0.872 61.399 62.300 -0.048 0.000 0.943 603 V CB 2.172 34.007 31.823 0.020 0.000 1.037 603 V HN 0.644 nan 8.190 nan 0.000 0.427 604 D N 6.967 127.371 120.400 0.007 0.000 2.342 604 D HA 0.153 4.796 4.640 0.005 0.000 0.260 604 D C 0.609 176.993 176.300 0.141 0.000 1.278 604 D CA -0.243 53.760 54.000 0.005 0.000 0.910 604 D CB 0.429 41.222 40.800 -0.013 0.000 1.079 604 D HN 0.732 nan 8.370 nan 0.000 0.496 605 W N 3.112 124.529 121.300 0.196 0.000 3.067 605 W HA 0.287 4.950 4.660 0.005 0.000 0.417 605 W C -0.971 175.553 176.519 0.008 0.000 1.029 605 W CA -0.987 56.402 57.345 0.074 0.000 1.992 605 W CB -1.044 28.418 29.460 0.002 0.000 1.122 605 W HN 0.192 nan 8.180 nan 0.000 0.681 606 W N 2.735 123.958 121.300 -0.128 0.000 2.551 606 W HA 0.392 5.056 4.660 0.005 0.000 0.330 606 W C 0.872 177.385 176.519 -0.010 0.000 1.063 606 W CA -0.579 56.703 57.345 -0.105 0.000 1.222 606 W CB 1.166 30.457 29.460 -0.282 0.000 1.349 606 W HN -0.224 nan 8.180 nan 0.000 0.536 607 T N -0.675 114.013 114.554 0.224 0.000 2.898 607 T HA 0.053 4.406 4.350 0.005 0.000 0.301 607 T C 0.997 175.805 174.700 0.180 0.000 1.049 607 T CA -0.228 61.972 62.100 0.166 0.000 1.095 607 T CB 1.208 70.152 68.868 0.127 0.000 0.976 607 T HN 0.516 nan 8.240 nan 0.000 0.539 608 Q N 0.568 120.437 119.800 0.115 0.000 2.047 608 Q HA -0.245 4.098 4.340 0.005 0.000 0.211 608 Q C 2.433 178.499 176.000 0.111 0.000 1.005 608 Q CA 2.486 58.343 55.803 0.089 0.000 0.866 608 Q CB -0.426 28.348 28.738 0.061 0.000 0.938 608 Q HN 0.851 nan 8.270 nan 0.000 0.414 609 Q N -0.755 119.117 119.800 0.120 0.000 2.050 609 Q HA -0.057 4.286 4.340 0.005 0.000 0.202 609 Q C 2.114 178.234 176.000 0.200 0.000 0.980 609 Q CA 2.025 57.905 55.803 0.128 0.000 0.840 609 Q CB -0.396 28.408 28.738 0.110 0.000 0.898 609 Q HN 0.299 nan 8.270 nan 0.000 0.424 610 S N -0.238 115.628 115.700 0.276 0.000 2.402 610 S HA -0.036 4.437 4.470 0.005 0.000 0.229 610 S C 1.791 176.728 174.600 0.562 0.000 1.021 610 S CA 0.795 59.271 58.200 0.460 0.000 0.974 610 S CB -0.351 63.126 63.200 0.462 0.000 0.800 610 S HN 0.559 nan 8.310 nan 0.000 0.484 611 A N 0.871 123.912 122.820 0.368 0.000 1.897 611 A HA -0.043 4.280 4.320 0.005 0.000 0.215 611 A C 2.252 179.857 177.584 0.035 0.000 1.181 611 A CA 1.787 53.851 52.037 0.044 0.000 0.620 611 A CB -0.948 18.021 19.000 -0.052 0.000 0.821 611 A HN 0.493 nan 8.150 nan 0.000 0.443 612 S N 0.271 116.016 115.700 0.075 0.000 2.383 612 S HA -0.169 4.304 4.470 0.005 0.000 0.227 612 S C 1.805 176.430 174.600 0.041 0.000 1.026 612 S CA 1.575 59.798 58.200 0.039 0.000 0.981 612 S CB -0.570 62.653 63.200 0.038 0.000 0.818 612 S HN 0.603 nan 8.310 nan 0.000 0.472 613 N N 0.746 119.519 118.700 0.123 0.000 2.188 613 N HA -0.018 4.725 4.740 0.005 0.000 0.184 613 N C 1.340 176.789 175.510 -0.102 0.000 1.018 613 N CA 1.140 54.246 53.050 0.092 0.000 0.858 613 N CB -0.786 37.882 38.487 0.302 0.000 0.989 613 N HN 0.558 nan 8.380 nan 0.000 0.426 614 F N 2.427 122.272 119.950 -0.176 0.000 2.095 614 F HA -0.157 4.373 4.527 0.005 0.000 0.298 614 F C 1.968 177.504 175.800 -0.439 0.000 1.104 614 F CA 1.523 59.235 58.000 -0.480 0.000 1.232 614 F CB -0.025 38.754 39.000 -0.369 0.000 0.987 614 F HN -0.093 nan 8.300 nan 0.000 0.475 615 K N 0.144 120.508 120.400 -0.060 0.000 2.032 615 K HA -0.228 4.095 4.320 0.005 0.000 0.209 615 K C 2.051 178.480 176.600 -0.284 0.000 1.048 615 K CA 2.018 58.218 56.287 -0.145 0.000 0.927 615 K CB -0.478 31.986 32.500 -0.061 0.000 0.712 615 K HN 0.429 nan 8.250 nan 0.000 0.441 616 E N 0.596 120.647 120.200 -0.249 0.000 2.038 616 E HA -0.206 4.147 4.350 0.005 0.000 0.195 616 E C 2.273 178.653 176.600 -0.367 0.000 1.000 616 E CA 1.103 57.350 56.400 -0.254 0.000 0.803 616 E CB 0.087 29.681 29.700 -0.176 0.000 0.750 616 E HN 0.242 nan 8.360 nan 0.000 0.448 617 Q N -0.065 119.406 119.800 -0.549 0.000 2.124 617 Q HA -0.130 4.214 4.340 0.005 0.000 0.202 617 Q C 2.348 177.995 176.000 -0.589 0.000 0.977 617 Q CA 1.734 57.143 55.803 -0.657 0.000 0.850 617 Q CB -0.369 27.694 28.738 -1.125 0.000 0.901 617 Q HN 0.284 nan 8.270 nan 0.000 0.429 618 S N -0.268 115.023 115.700 -0.681 0.000 2.436 618 S HA -0.111 4.362 4.470 0.005 0.000 0.228 618 S C 1.920 176.274 174.600 -0.409 0.000 1.014 618 S CA 0.823 58.672 58.200 -0.585 0.000 0.950 618 S CB -0.066 62.691 63.200 -0.739 0.000 0.784 618 S HN 0.140 nan 8.310 nan 0.000 0.504 619 Q N 1.227 120.785 119.800 -0.403 0.000 2.197 619 Q HA -0.115 4.228 4.340 0.005 0.000 0.207 619 Q C 2.238 177.969 176.000 -0.448 0.000 0.984 619 Q CA 1.744 57.277 55.803 -0.449 0.000 0.869 619 Q CB -1.366 27.117 28.738 -0.425 0.000 0.906 619 Q HN 0.685 nan 8.270 nan 0.000 0.426 620 c N -0.556 117.872 118.600 -0.286 0.000 2.413 620 c HA -0.129 4.445 4.570 0.005 0.000 0.277 620 c C 2.396 176.425 174.090 -0.101 0.000 1.265 620 c CA 1.289 57.530 56.329 -0.148 0.000 1.752 620 c CB -0.833 41.597 42.510 -0.133 0.000 1.998 620 c HN 0.682 nan 8.230 nan 0.000 0.489 621 M N -0.492 119.031 119.600 -0.128 0.000 2.288 621 M HA -0.054 4.429 4.480 0.005 0.000 0.266 621 M C 2.070 178.376 176.300 0.011 0.000 1.072 621 M CA 1.057 56.362 55.300 0.008 0.000 1.132 621 M CB -0.316 32.255 32.600 -0.048 0.000 1.386 621 M HN 0.254 nan 8.290 nan 0.000 0.432 622 V N -0.193 119.629 119.914 -0.154 0.000 2.287 622 V HA -0.296 3.828 4.120 0.005 0.000 0.248 622 V C 2.186 178.252 176.094 -0.047 0.000 1.053 622 V CA 1.952 64.155 62.300 -0.161 0.000 1.027 622 V CB -0.851 30.783 31.823 -0.314 0.000 0.646 622 V HN 0.335 nan 8.190 nan 0.000 0.447 623 Y N 0.265 120.519 120.300 -0.077 0.000 2.200 623 Y HA -0.194 4.359 4.550 0.005 0.000 0.290 623 Y C 2.675 178.477 175.900 -0.163 0.000 1.137 623 Y CA 1.324 59.359 58.100 -0.107 0.000 1.163 623 Y CB -1.055 37.338 38.460 -0.112 0.000 0.988 623 Y HN 0.331 nan 8.280 nan 0.000 0.518 624 Q N -0.801 118.991 119.800 -0.012 0.000 2.061 624 Q HA -0.245 4.099 4.340 0.005 0.000 0.204 624 Q C 1.765 177.400 176.000 -0.608 0.000 0.984 624 Q CA 2.102 57.730 55.803 -0.290 0.000 0.846 624 Q CB -0.408 28.191 28.738 -0.232 0.000 0.902 624 Q HN 0.512 nan 8.270 nan 0.000 0.421 625 Y N -0.544 119.557 120.300 -0.332 0.000 2.314 625 Y HA 0.106 4.659 4.550 0.005 0.000 0.294 625 Y C 2.398 178.187 175.900 -0.186 0.000 1.119 625 Y CA 1.001 58.961 58.100 -0.234 0.000 1.179 625 Y CB -0.508 37.947 38.460 -0.009 0.000 1.025 625 Y HN 0.287 nan 8.280 nan 0.000 0.541 626 G N -0.125 108.697 108.800 0.037 0.000 2.462 626 G HA2 -0.271 3.692 3.960 0.005 0.000 0.220 626 G HA3 -0.271 3.692 3.960 0.005 0.000 0.220 626 G C 1.497 176.458 174.900 0.103 0.000 1.121 626 G CA 1.076 46.209 45.100 0.055 0.000 0.758 626 G HN 0.367 nan 8.290 nan 0.000 0.559 627 N N -0.367 118.299 118.700 -0.058 0.000 2.412 627 N HA 0.061 4.804 4.740 0.005 0.000 0.184 627 N C -0.450 174.985 175.510 -0.124 0.000 1.101 627 N CA -0.089 52.966 53.050 0.008 0.000 0.881 627 N CB 0.123 38.503 38.487 -0.178 0.000 0.969 627 N HN 0.111 nan 8.380 nan 0.000 0.459 628 F N 1.702 121.521 119.950 -0.219 0.000 2.467 628 F HA 0.094 4.624 4.527 0.005 0.000 0.362 628 F C 1.102 176.556 175.800 -0.577 0.000 1.090 628 F CA -1.020 56.657 58.000 -0.539 0.000 1.202 628 F CB 0.575 38.856 39.000 -1.198 0.000 1.113 628 F HN -0.170 nan 8.300 nan 0.000 0.541 629 S N 2.946 118.483 115.700 -0.272 0.000 2.549 629 S HA 0.516 4.990 4.470 0.005 0.000 0.297 629 S C -1.426 173.255 174.600 0.135 0.000 1.115 629 S CA -0.789 57.253 58.200 -0.264 0.000 1.059 629 S CB 1.523 64.474 63.200 -0.414 0.000 1.046 629 S HN 0.582 nan 8.310 nan 0.000 0.506 630 W N 4.303 125.578 121.300 -0.041 0.000 2.336 630 W HA 0.352 5.015 4.660 0.005 0.000 0.315 630 W C 0.095 176.620 176.519 0.011 0.000 1.016 630 W CA -1.744 55.650 57.345 0.081 0.000 1.318 630 W CB 0.759 30.251 29.460 0.054 0.000 1.247 630 W HN 0.940 nan 8.180 nan 0.000 0.414 631 D N 2.761 123.291 120.400 0.216 0.000 2.133 631 D HA -0.283 4.360 4.640 0.005 0.000 0.195 631 D C 1.740 177.928 176.300 -0.187 0.000 0.997 631 D CA 1.629 55.637 54.000 0.014 0.000 0.840 631 D CB -0.540 40.291 40.800 0.052 0.000 0.947 631 D HN 0.499 nan 8.370 nan 0.000 0.452 632 L N -0.225 120.733 121.223 -0.441 0.000 2.275 632 L HA 0.077 4.420 4.340 0.005 0.000 0.215 632 L C 2.055 178.523 176.870 -0.670 0.000 1.119 632 L CA 0.921 55.429 54.840 -0.554 0.000 0.790 632 L CB -0.341 41.343 42.059 -0.624 0.000 0.919 632 L HN 0.090 nan 8.230 nan 0.000 0.443 633 A N -0.234 122.096 122.820 -0.818 0.000 2.532 633 A HA 0.455 4.779 4.320 0.005 0.000 0.273 633 A C 1.467 178.894 177.584 -0.263 0.000 1.342 633 A CA 0.440 52.162 52.037 -0.525 0.000 0.929 633 A CB -0.506 18.228 19.000 -0.443 0.000 1.051 633 A HN 0.459 nan 8.150 nan 0.000 0.521 634 G N -1.904 106.764 108.800 -0.220 0.000 2.143 634 G HA2 0.121 4.084 3.960 0.005 0.000 0.248 634 G HA3 0.121 4.084 3.960 0.005 0.000 0.248 634 G C 1.440 176.293 174.900 -0.077 0.000 0.991 634 G CA 0.725 45.741 45.100 -0.139 0.000 0.689 634 G HN 2.141 nan 8.290 nan 0.000 0.522 635 G N -1.564 107.205 108.800 -0.050 0.000 2.176 635 G HA2 -0.258 3.706 3.960 0.005 0.000 0.253 635 G HA3 -0.258 3.706 3.960 0.005 0.000 0.253 635 G C 0.427 175.332 174.900 0.009 0.000 0.979 635 G CA 1.002 46.097 45.100 -0.008 0.000 0.641 635 G HN 1.238 nan 8.290 nan 0.000 0.530 636 Q N 0.221 120.036 119.800 0.025 0.000 2.386 636 Q HA 0.326 4.670 4.340 0.005 0.000 0.282 636 Q C 0.250 176.306 176.000 0.093 0.000 1.050 636 Q CA 0.140 55.994 55.803 0.085 0.000 0.918 636 Q CB 0.319 29.097 28.738 0.067 0.000 1.266 636 Q HN 0.640 nan 8.270 nan 0.000 0.423 637 H N 0.536 119.636 119.070 0.051 0.000 2.629 637 H HA 0.175 4.734 4.556 0.005 0.000 0.357 637 H C -0.098 175.249 175.328 0.032 0.000 1.121 637 H CA -0.243 55.822 56.048 0.027 0.000 1.406 637 H CB 0.471 30.233 29.762 0.000 0.000 1.456 637 H HN 0.390 nan 8.280 nan 0.000 0.579 638 L N 1.814 123.085 121.223 0.080 0.000 2.492 638 L HA -0.034 4.310 4.340 0.005 0.000 0.280 638 L C 1.061 177.977 176.870 0.077 0.000 1.240 638 L CA 0.061 54.929 54.840 0.047 0.000 0.831 638 L CB 0.174 42.213 42.059 -0.033 0.000 1.100 638 L HN 0.646 nan 8.230 nan 0.000 0.505 639 N N 1.163 119.895 118.700 0.053 0.000 2.415 639 N HA 0.069 4.812 4.740 0.005 0.000 0.246 639 N C 0.747 176.264 175.510 0.011 0.000 1.078 639 N CA 0.179 53.250 53.050 0.036 0.000 0.942 639 N CB 1.616 40.121 38.487 0.030 0.000 1.140 639 N HN 0.750 nan 8.380 nan 0.000 0.501 640 G N 3.534 112.343 108.800 0.015 0.000 2.484 640 G HA2 -0.094 3.870 3.960 0.005 0.000 0.218 640 G HA3 -0.094 3.870 3.960 0.005 0.000 0.218 640 G C 1.514 176.379 174.900 -0.058 0.000 1.130 640 G CA 0.310 45.408 45.100 -0.003 0.000 0.784 640 G HN 0.640 nan 8.290 nan 0.000 0.543 641 I N 0.647 121.188 120.570 -0.048 0.000 2.277 641 I HA -0.065 4.109 4.170 0.005 0.000 0.243 641 I C 2.221 178.307 176.117 -0.052 0.000 1.094 641 I CA 0.539 61.804 61.300 -0.059 0.000 1.393 641 I CB -0.097 37.877 38.000 -0.044 0.000 1.078 641 I HN 0.005 nan 8.210 nan 0.000 0.417 642 N N 0.441 119.119 118.700 -0.036 0.000 2.309 642 N HA -0.117 4.626 4.740 0.005 0.000 0.182 642 N C 1.654 177.129 175.510 -0.058 0.000 1.018 642 N CA 1.758 54.787 53.050 -0.034 0.000 0.876 642 N CB -0.394 38.086 38.487 -0.013 0.000 0.972 642 N HN 0.436 nan 8.380 nan 0.000 0.434 643 T N -2.248 112.258 114.554 -0.080 0.000 3.086 643 T HA 0.143 4.496 4.350 0.005 0.000 0.250 643 T C 1.682 176.279 174.700 -0.172 0.000 1.074 643 T CA -0.255 61.770 62.100 -0.126 0.000 0.988 643 T CB -0.079 68.706 68.868 -0.138 0.000 0.988 643 T HN -0.045 nan 8.240 nan 0.000 0.530 644 L N 2.531 123.672 121.223 -0.137 0.000 2.012 644 L HA 0.219 4.562 4.340 0.005 0.000 0.210 644 L C 2.520 179.320 176.870 -0.118 0.000 1.073 644 L CA 2.261 57.009 54.840 -0.153 0.000 0.748 644 L CB -1.263 40.731 42.059 -0.109 0.000 0.891 644 L HN 0.341 nan 8.230 nan 0.000 0.431 645 G N -1.123 107.649 108.800 -0.045 0.000 2.446 645 G HA2 -0.240 3.723 3.960 0.005 0.000 0.217 645 G HA3 -0.240 3.723 3.960 0.005 0.000 0.217 645 G C 1.424 176.302 174.900 -0.036 0.000 1.168 645 G CA 0.703 45.816 45.100 0.023 0.000 0.771 645 G HN 0.451 nan 8.290 nan 0.000 0.551 646 E N 1.087 121.260 120.200 -0.044 0.000 2.110 646 E HA -0.087 4.266 4.350 0.005 0.000 0.193 646 E C 2.433 178.981 176.600 -0.086 0.000 0.988 646 E CA 0.699 57.083 56.400 -0.026 0.000 0.804 646 E CB -0.287 29.402 29.700 -0.019 0.000 0.745 646 E HN 0.333 nan 8.360 nan 0.000 0.458 647 N N 0.798 119.374 118.700 -0.206 0.000 2.216 647 N HA -0.050 4.694 4.740 0.005 0.000 0.183 647 N C 2.088 177.511 175.510 -0.144 0.000 1.017 647 N CA 0.533 53.392 53.050 -0.318 0.000 0.861 647 N CB -0.202 37.795 38.487 -0.818 0.000 0.986 647 N HN 0.209 nan 8.380 nan 0.000 0.428 648 I N 1.125 121.625 120.570 -0.117 0.000 2.179 648 I HA -0.246 3.928 4.170 0.005 0.000 0.242 648 I C 2.278 178.406 176.117 0.018 0.000 1.088 648 I CA 1.041 62.336 61.300 -0.008 0.000 1.357 648 I CB -0.290 37.742 38.000 0.055 0.000 1.051 648 I HN 0.061 nan 8.210 nan 0.000 0.409 649 A N 0.344 123.049 122.820 -0.192 0.000 1.902 649 A HA -0.248 4.075 4.320 0.005 0.000 0.217 649 A C 1.947 179.453 177.584 -0.129 0.000 1.181 649 A CA 2.116 53.894 52.037 -0.432 0.000 0.623 649 A CB -0.572 17.583 19.000 -1.409 0.000 0.818 649 A HN 0.346 nan 8.150 nan 0.000 0.443 650 D N -0.075 120.364 120.400 0.064 0.000 2.097 650 D HA -0.111 4.532 4.640 0.005 0.000 0.197 650 D C 1.836 178.313 176.300 0.294 0.000 0.984 650 D CA 1.066 55.262 54.000 0.326 0.000 0.826 650 D CB -0.376 40.612 40.800 0.314 0.000 0.973 650 D HN 0.413 nan 8.370 nan 0.000 0.460 651 N N 0.355 119.185 118.700 0.218 0.000 2.142 651 N HA -0.091 4.652 4.740 0.005 0.000 0.186 651 N C 1.952 177.597 175.510 0.226 0.000 1.023 651 N CA 1.217 54.396 53.050 0.216 0.000 0.852 651 N CB -0.277 38.313 38.487 0.171 0.000 0.998 651 N HN 0.184 nan 8.380 nan 0.000 0.424 652 G N 0.620 109.569 108.800 0.248 0.000 2.459 652 G HA2 -0.215 3.748 3.960 0.005 0.000 0.217 652 G HA3 -0.215 3.748 3.960 0.005 0.000 0.217 652 G C 1.569 176.640 174.900 0.286 0.000 1.183 652 G CA 1.214 46.503 45.100 0.315 0.000 0.776 652 G HN 0.412 nan 8.290 nan 0.000 0.552 653 G N 0.696 109.655 108.800 0.264 0.000 2.422 653 G HA2 -0.134 3.830 3.960 0.005 0.000 0.218 653 G HA3 -0.134 3.830 3.960 0.005 0.000 0.218 653 G C 1.769 176.855 174.900 0.310 0.000 1.146 653 G CA 1.121 46.396 45.100 0.292 0.000 0.769 653 G HN 0.455 nan 8.290 nan 0.000 0.547 654 L N 1.520 122.919 121.223 0.294 0.000 2.017 654 L HA 0.145 4.488 4.340 0.005 0.000 0.208 654 L C 2.752 179.780 176.870 0.263 0.000 1.073 654 L CA 2.571 57.546 54.840 0.225 0.000 0.745 654 L CB -1.053 41.059 42.059 0.087 0.000 0.894 654 L HN 0.140 nan 8.230 nan 0.000 0.432 655 G N -1.478 107.466 108.800 0.240 0.000 2.418 655 G HA2 -0.286 3.678 3.960 0.005 0.000 0.217 655 G HA3 -0.286 3.678 3.960 0.005 0.000 0.217 655 G C 1.455 176.505 174.900 0.250 0.000 1.158 655 G CA 0.844 46.084 45.100 0.233 0.000 0.771 655 G HN 0.541 nan 8.290 nan 0.000 0.545 656 Q N 0.284 120.239 119.800 0.258 0.000 2.061 656 Q HA -0.004 4.339 4.340 0.005 0.000 0.204 656 Q C 2.996 179.156 176.000 0.268 0.000 0.984 656 Q CA 1.702 57.654 55.803 0.249 0.000 0.846 656 Q CB -0.334 28.567 28.738 0.271 0.000 0.902 656 Q HN 0.465 nan 8.270 nan 0.000 0.421 657 A N -0.138 122.885 122.820 0.339 0.000 1.877 657 A HA -0.231 4.092 4.320 0.005 0.000 0.216 657 A C 1.936 179.756 177.584 0.394 0.000 1.186 657 A CA 1.499 53.801 52.037 0.442 0.000 0.620 657 A CB -0.940 18.373 19.000 0.521 0.000 0.822 657 A HN 0.520 nan 8.150 nan 0.000 0.443 658 Y N 0.216 120.594 120.300 0.130 0.000 2.181 658 Y HA -0.174 4.380 4.550 0.005 0.000 0.288 658 Y C 2.551 178.346 175.900 -0.174 0.000 1.146 658 Y CA 1.989 59.876 58.100 -0.355 0.000 1.164 658 Y CB -0.332 37.863 38.460 -0.442 0.000 0.982 658 Y HN 0.254 nan 8.280 nan 0.000 0.515 659 R N -0.296 120.210 120.500 0.010 0.000 2.083 659 R HA -0.211 4.132 4.340 0.005 0.000 0.237 659 R C 2.478 178.713 176.300 -0.109 0.000 1.137 659 R CA 1.457 57.527 56.100 -0.051 0.000 0.951 659 R CB -0.647 29.689 30.300 0.059 0.000 0.851 659 R HN 0.442 nan 8.270 nan 0.000 0.434 660 A N -0.258 122.558 122.820 -0.005 0.000 1.972 660 A HA -0.216 4.108 4.320 0.005 0.000 0.219 660 A C 1.928 179.349 177.584 -0.271 0.000 1.169 660 A CA 1.217 53.264 52.037 0.015 0.000 0.635 660 A CB -0.642 18.516 19.000 0.263 0.000 0.810 660 A HN 0.484 nan 8.150 nan 0.000 0.446 661 Y N 0.545 120.449 120.300 -0.659 0.000 2.163 661 Y HA -0.178 4.375 4.550 0.005 0.000 0.288 661 Y C 2.472 178.040 175.900 -0.554 0.000 1.136 661 Y CA 1.906 59.431 58.100 -0.957 0.000 1.147 661 Y CB -0.698 37.278 38.460 -0.806 0.000 0.987 661 Y HN 0.456 nan 8.280 nan 0.000 0.509 662 Q N -0.103 119.298 119.800 -0.665 0.000 2.112 662 Q HA -0.255 4.088 4.340 0.005 0.000 0.206 662 Q C 1.887 177.657 176.000 -0.382 0.000 0.987 662 Q CA 1.771 57.229 55.803 -0.575 0.000 0.858 662 Q CB -0.294 28.169 28.738 -0.458 0.000 0.905 662 Q HN 0.493 nan 8.270 nan 0.000 0.420 663 N N 0.035 118.575 118.700 -0.268 0.000 2.120 663 N HA -0.180 4.563 4.740 0.005 0.000 0.188 663 N C 1.446 176.861 175.510 -0.158 0.000 1.024 663 N CA 1.102 54.053 53.050 -0.164 0.000 0.852 663 N CB -0.610 37.831 38.487 -0.077 0.000 1.003 663 N HN 0.340 nan 8.380 nan 0.000 0.424 664 Y N 1.763 121.888 120.300 -0.292 0.000 2.081 664 Y HA -0.202 4.351 4.550 0.005 0.000 0.280 664 Y C 2.154 177.892 175.900 -0.270 0.000 1.163 664 Y CA 1.615 59.578 58.100 -0.229 0.000 1.135 664 Y CB -0.276 38.034 38.460 -0.250 0.000 0.970 664 Y HN -0.010 nan 8.280 nan 0.000 0.498 665 I N 0.385 120.717 120.570 -0.396 0.000 2.179 665 I HA -0.329 3.844 4.170 0.005 0.000 0.242 665 I C 2.513 178.433 176.117 -0.328 0.000 1.088 665 I CA 1.823 62.874 61.300 -0.414 0.000 1.357 665 I CB -0.863 36.855 38.000 -0.469 0.000 1.051 665 I HN 0.288 nan 8.210 nan 0.000 0.409 666 K N 1.671 121.907 120.400 -0.273 0.000 2.049 666 K HA -0.319 4.004 4.320 0.005 0.000 0.219 666 K C 2.190 178.672 176.600 -0.197 0.000 1.056 666 K CA 2.768 58.937 56.287 -0.198 0.000 0.946 666 K CB -0.176 32.227 32.500 -0.161 0.000 0.723 666 K HN 0.207 nan 8.250 nan 0.000 0.453 667 K N -0.387 119.876 120.400 -0.229 0.000 2.103 667 K HA -0.058 4.265 4.320 0.005 0.000 0.204 667 K C 1.360 177.810 176.600 -0.251 0.000 1.052 667 K CA 1.704 57.869 56.287 -0.204 0.000 0.945 667 K CB 0.133 32.529 32.500 -0.174 0.000 0.722 667 K HN 0.194 nan 8.250 nan 0.000 0.443 668 N N -0.191 118.267 118.700 -0.402 0.000 2.227 668 N HA 0.131 4.874 4.740 0.005 0.000 0.196 668 N C -0.102 175.236 175.510 -0.288 0.000 1.142 668 N CA 0.784 53.585 53.050 -0.415 0.000 0.887 668 N CB 1.399 39.409 38.487 -0.796 0.000 1.022 668 N HN 0.373 nan 8.380 nan 0.000 0.500 669 G N 1.584 110.228 108.800 -0.260 0.000 2.746 669 G HA2 -0.204 3.760 3.960 0.005 0.000 0.685 669 G HA3 -0.204 3.760 3.960 0.005 0.000 0.685 669 G C -0.843 173.978 174.900 -0.131 0.000 1.350 669 G CA -0.697 44.308 45.100 -0.158 0.000 0.837 669 G HN 0.207 nan 8.290 nan 0.000 0.564 670 E N 0.293 120.455 120.200 -0.062 0.000 2.374 670 E HA 0.384 4.737 4.350 0.005 0.000 0.260 670 E C 0.627 177.256 176.600 0.047 0.000 1.101 670 E CA -0.196 56.200 56.400 -0.007 0.000 0.907 670 E CB 0.584 30.300 29.700 0.027 0.000 1.014 670 E HN 0.497 nan 8.360 nan 0.000 0.427 671 E N 1.614 121.853 120.200 0.066 0.000 2.283 671 E HA 0.161 4.515 4.350 0.005 0.000 0.271 671 E C -0.632 176.092 176.600 0.206 0.000 1.031 671 E CA -0.525 55.906 56.400 0.052 0.000 0.868 671 E CB 1.054 30.596 29.700 -0.264 0.000 1.094 671 E HN 0.214 nan 8.360 nan 0.000 0.401 672 K N 1.711 122.222 120.400 0.185 0.000 2.485 672 K HA 0.043 4.366 4.320 0.005 0.000 0.277 672 K C 0.019 176.808 176.600 0.316 0.000 0.990 672 K CA -0.004 56.401 56.287 0.198 0.000 0.994 672 K CB 0.296 32.875 32.500 0.132 0.000 0.906 672 K HN 0.274 nan 8.250 nan 0.000 0.488 673 L N 3.120 124.457 121.223 0.190 0.000 2.472 673 L HA 0.156 4.500 4.340 0.005 0.000 0.260 673 L C 0.401 177.306 176.870 0.059 0.000 1.209 673 L CA -0.410 54.473 54.840 0.071 0.000 0.817 673 L CB 0.087 42.162 42.059 0.026 0.000 1.106 673 L HN 0.365 nan 8.230 nan 0.000 0.479 674 L N 2.704 123.916 121.223 -0.018 0.000 2.326 674 L HA 0.366 4.710 4.340 0.005 0.000 0.278 674 L C -1.989 174.891 176.870 0.017 0.000 1.092 674 L CA -1.888 52.963 54.840 0.018 0.000 0.810 674 L CB 0.988 43.052 42.059 0.009 0.000 1.153 674 L HN 0.370 nan 8.230 nan 0.000 0.439 675 P HA 0.116 nan 4.420 nan 0.000 0.275 675 P C 0.622 177.934 177.300 0.020 0.000 1.228 675 P CA 0.258 63.372 63.100 0.023 0.000 0.786 675 P CB 1.311 33.025 31.700 0.024 0.000 0.927 676 G N 1.562 110.374 108.800 0.020 0.000 2.199 676 G HA2 -0.217 3.746 3.960 0.005 0.000 0.254 676 G HA3 -0.217 3.746 3.960 0.005 0.000 0.254 676 G C -0.255 174.660 174.900 0.024 0.000 0.982 676 G CA -0.113 44.999 45.100 0.019 0.000 0.632 676 G HN 0.497 nan 8.290 nan 0.000 0.529 677 L N 1.437 122.677 121.223 0.029 0.000 2.372 677 L HA 0.424 4.767 4.340 0.005 0.000 0.273 677 L C -0.833 176.068 176.870 0.051 0.000 0.989 677 L CA -0.929 53.937 54.840 0.043 0.000 0.841 677 L CB 1.760 43.844 42.059 0.041 0.000 1.225 677 L HN -0.076 nan 8.230 nan 0.000 0.414 678 D N 5.590 126.033 120.400 0.072 0.000 2.934 678 D HA 0.303 4.947 4.640 0.005 0.000 0.237 678 D C -0.305 176.057 176.300 0.103 0.000 1.158 678 D CA 0.506 54.553 54.000 0.077 0.000 0.971 678 D CB 0.038 40.886 40.800 0.080 0.000 1.123 678 D HN 0.241 nan 8.370 nan 0.000 0.467 679 L N 1.084 122.359 121.223 0.086 0.000 2.388 679 L HA 0.319 4.662 4.340 0.005 0.000 0.264 679 L C 0.352 177.238 176.870 0.026 0.000 0.998 679 L CA -1.236 53.661 54.840 0.095 0.000 0.817 679 L CB 1.966 44.128 42.059 0.171 0.000 1.338 679 L HN -0.018 nan 8.230 nan 0.000 0.414 680 N N -1.165 117.550 118.700 0.024 0.000 2.418 680 N HA 0.148 4.891 4.740 0.005 0.000 0.283 680 N C 0.587 176.123 175.510 0.044 0.000 1.267 680 N CA -0.371 52.690 53.050 0.019 0.000 0.975 680 N CB 0.345 38.868 38.487 0.059 0.000 1.167 680 N HN 0.452 nan 8.380 nan 0.000 0.581 681 H N -0.757 118.419 119.070 0.176 0.000 2.482 681 H HA 0.125 4.684 4.556 0.005 0.000 0.286 681 H C 0.986 176.504 175.328 0.316 0.000 1.017 681 H CA 0.888 57.084 56.048 0.248 0.000 1.322 681 H CB 0.315 30.264 29.762 0.311 0.000 1.426 681 H HN 0.558 nan 8.280 nan 0.000 0.546 682 K N 0.810 121.450 120.400 0.400 0.000 2.032 682 K HA -0.175 4.148 4.320 0.005 0.000 0.209 682 K C 2.079 178.916 176.600 0.394 0.000 1.048 682 K CA 1.266 57.784 56.287 0.385 0.000 0.927 682 K CB -0.115 32.559 32.500 0.289 0.000 0.712 682 K HN 0.417 nan 8.250 nan 0.000 0.441 683 Q N 0.823 120.756 119.800 0.221 0.000 2.084 683 Q HA -0.083 4.260 4.340 0.005 0.000 0.202 683 Q C 2.297 178.631 176.000 0.557 0.000 0.978 683 Q CA 1.100 57.037 55.803 0.223 0.000 0.844 683 Q CB -0.184 28.490 28.738 -0.106 0.000 0.898 683 Q HN 0.296 nan 8.270 nan 0.000 0.426 684 L N -0.249 121.204 121.223 0.384 0.000 2.093 684 L HA -0.159 4.184 4.340 0.005 0.000 0.208 684 L C 2.299 179.384 176.870 0.360 0.000 1.085 684 L CA 0.795 55.840 54.840 0.341 0.000 0.755 684 L CB -0.414 41.760 42.059 0.192 0.000 0.904 684 L HN 0.213 nan 8.230 nan 0.000 0.435 685 F N 0.621 120.670 119.950 0.164 0.000 2.091 685 F HA -0.310 4.220 4.527 0.005 0.000 0.299 685 F C 2.075 177.939 175.800 0.106 0.000 1.103 685 F CA 1.771 59.771 58.000 -0.001 0.000 1.228 685 F CB -0.392 38.502 39.000 -0.177 0.000 0.984 685 F HN -0.107 nan 8.300 nan 0.000 0.477 686 F N -0.448 119.905 119.950 0.672 0.000 2.234 686 F HA -0.104 4.426 4.527 0.005 0.000 0.296 686 F C 2.439 178.670 175.800 0.717 0.000 1.089 686 F CA 0.715 59.093 58.000 0.630 0.000 1.343 686 F CB -0.559 38.827 39.000 0.643 0.000 1.040 686 F HN -0.030 nan 8.300 nan 0.000 0.498 687 L N 0.370 122.138 121.223 0.908 0.000 2.013 687 L HA -0.322 4.021 4.340 0.005 0.000 0.212 687 L C 2.415 179.501 176.870 0.360 0.000 1.073 687 L CA 1.831 57.069 54.840 0.664 0.000 0.753 687 L CB -0.555 41.801 42.059 0.496 0.000 0.890 687 L HN 0.299 nan 8.230 nan 0.000 0.432 688 N N -0.527 118.316 118.700 0.239 0.000 2.142 688 N HA -0.253 4.490 4.740 0.005 0.000 0.186 688 N C 2.082 177.603 175.510 0.018 0.000 1.023 688 N CA 1.294 54.377 53.050 0.055 0.000 0.852 688 N CB -0.144 38.333 38.487 -0.016 0.000 0.998 688 N HN 0.287 nan 8.380 nan 0.000 0.424 689 F N 1.938 121.839 119.950 -0.081 0.000 2.045 689 F HA -0.319 4.211 4.527 0.005 0.000 0.297 689 F C 2.357 178.207 175.800 0.083 0.000 1.114 689 F CA 2.246 60.218 58.000 -0.047 0.000 1.207 689 F CB -0.490 38.500 39.000 -0.016 0.000 0.964 689 F HN 0.086 nan 8.300 nan 0.000 0.486 690 A N -0.370 122.567 122.820 0.194 0.000 1.933 690 A HA -0.220 4.103 4.320 0.005 0.000 0.218 690 A C 2.099 179.670 177.584 -0.022 0.000 1.175 690 A CA 1.737 53.853 52.037 0.133 0.000 0.628 690 A CB -0.831 18.448 19.000 0.466 0.000 0.814 690 A HN 0.669 nan 8.150 nan 0.000 0.444 691 Q N -0.455 119.295 119.800 -0.084 0.000 2.369 691 Q HA -0.023 4.320 4.340 0.005 0.000 0.206 691 Q C 1.885 177.689 176.000 -0.327 0.000 0.963 691 Q CA 0.805 56.492 55.803 -0.193 0.000 0.894 691 Q CB -0.188 28.453 28.738 -0.161 0.000 0.965 691 Q HN 0.494 nan 8.270 nan 0.000 0.475 692 V N -0.514 119.133 119.914 -0.444 0.000 2.439 692 V HA -0.257 3.866 4.120 0.005 0.000 0.253 692 V C 0.912 176.512 176.094 -0.823 0.000 1.074 692 V CA 1.787 63.631 62.300 -0.759 0.000 1.076 692 V CB -0.352 30.880 31.823 -0.984 0.000 0.664 692 V HN 0.529 nan 8.190 nan 0.000 0.461 693 W N -2.397 118.769 121.300 -0.223 0.000 2.966 693 W HA 0.345 5.008 4.660 0.005 0.000 0.406 693 W C 0.649 177.131 176.519 -0.062 0.000 1.027 693 W CA -0.984 56.273 57.345 -0.147 0.000 1.930 693 W CB 0.057 29.439 29.460 -0.131 0.000 1.144 693 W HN 0.050 nan 8.180 nan 0.000 0.626 694 c N 2.306 120.817 118.600 -0.148 0.000 2.592 694 c HA 0.500 5.073 4.570 0.005 0.000 0.408 694 c C 1.178 174.818 174.090 -0.751 0.000 1.436 694 c CA 0.603 56.652 56.329 -0.467 0.000 1.595 694 c CB -1.210 40.858 42.510 -0.738 0.000 2.487 694 c HN 0.578 nan 8.230 nan 0.000 0.610 695 G N 2.403 110.913 108.800 -0.484 0.000 2.313 695 G HA2 0.557 4.521 3.960 0.005 0.000 0.296 695 G HA3 0.557 4.521 3.960 0.005 0.000 0.296 695 G C -1.157 173.845 174.900 0.171 0.000 1.356 695 G CA 0.283 45.132 45.100 -0.418 0.000 0.833 695 G HN 0.807 nan 8.290 nan 0.000 0.552 696 T N -1.597 113.111 114.554 0.257 0.000 2.762 696 T HA 0.728 5.081 4.350 0.005 0.000 0.301 696 T C -1.976 172.919 174.700 0.324 0.000 1.299 696 T CA -0.552 61.803 62.100 0.426 0.000 1.005 696 T CB 1.358 70.496 68.868 0.450 0.000 1.377 696 T HN 0.645 nan 8.240 nan 0.000 0.504 697 Y N 0.760 121.247 120.300 0.312 0.000 2.499 697 Y HA 0.601 5.155 4.550 0.005 0.000 0.347 697 Y C 0.793 176.804 175.900 0.185 0.000 0.987 697 Y CA -1.381 56.901 58.100 0.304 0.000 1.044 697 Y CB 1.618 40.284 38.460 0.344 0.000 1.245 697 Y HN 0.419 nan 8.280 nan 0.000 0.461 698 R N 2.946 123.638 120.500 0.320 0.000 2.570 698 R HA 0.037 4.381 4.340 0.005 0.000 0.277 698 R C -1.893 174.487 176.300 0.134 0.000 1.039 698 R CA -1.229 54.988 56.100 0.196 0.000 1.065 698 R CB 0.186 30.588 30.300 0.171 0.000 0.964 698 R HN 0.418 nan 8.270 nan 0.000 0.428 699 P HA -0.209 nan 4.420 nan 0.000 0.216 699 P C 0.428 177.673 177.300 -0.090 0.000 1.154 699 P CA 1.407 64.447 63.100 -0.099 0.000 0.865 699 P CB 0.285 31.935 31.700 -0.085 0.000 0.789 700 E N -1.935 118.263 120.200 -0.004 0.000 2.077 700 E HA -0.199 4.154 4.350 0.005 0.000 0.193 700 E C 2.005 178.646 176.600 0.069 0.000 0.989 700 E CA 1.074 57.479 56.400 0.009 0.000 0.800 700 E CB -0.995 28.727 29.700 0.037 0.000 0.746 700 E HN 0.393 nan 8.360 nan 0.000 0.452 701 Y N 0.273 120.592 120.300 0.031 0.000 2.314 701 Y HA -0.079 4.474 4.550 0.005 0.000 0.293 701 Y C 2.152 178.118 175.900 0.109 0.000 1.129 701 Y CA 0.817 58.986 58.100 0.116 0.000 1.201 701 Y CB 0.015 38.625 38.460 0.249 0.000 0.999 701 Y HN 0.065 nan 8.280 nan 0.000 0.541 702 A N -0.513 122.222 122.820 -0.142 0.000 1.902 702 A HA -0.174 4.149 4.320 0.005 0.000 0.217 702 A C 2.225 179.561 177.584 -0.414 0.000 1.181 702 A CA 1.887 53.568 52.037 -0.594 0.000 0.623 702 A CB -1.258 17.033 19.000 -1.183 0.000 0.818 702 A HN 0.316 nan 8.150 nan 0.000 0.443 703 V N 1.237 120.983 119.914 -0.280 0.000 2.392 703 V HA -0.269 3.855 4.120 0.005 0.000 0.249 703 V C 2.554 178.642 176.094 -0.011 0.000 1.059 703 V CA 2.212 64.409 62.300 -0.172 0.000 1.051 703 V CB -0.975 30.720 31.823 -0.213 0.000 0.658 703 V HN 0.733 nan 8.190 nan 0.000 0.455 704 N N 0.819 119.521 118.700 0.003 0.000 2.062 704 N HA -0.154 4.589 4.740 0.005 0.000 0.191 704 N C 2.121 177.613 175.510 -0.031 0.000 1.042 704 N CA 2.294 55.384 53.050 0.067 0.000 0.845 704 N CB -0.238 38.227 38.487 -0.036 0.000 1.024 704 N HN 0.572 nan 8.380 nan 0.000 0.424 705 S N 0.089 115.644 115.700 -0.243 0.000 2.461 705 S HA 0.029 4.502 4.470 0.005 0.000 0.228 705 S C 2.269 176.911 174.600 0.070 0.000 1.005 705 S CA 0.135 58.260 58.200 -0.124 0.000 0.942 705 S CB -0.494 62.557 63.200 -0.248 0.000 0.776 705 S HN 0.396 nan 8.310 nan 0.000 0.514 706 I N 0.704 121.367 120.570 0.154 0.000 2.423 706 I HA -0.161 4.012 4.170 0.005 0.000 0.254 706 I C 1.939 178.128 176.117 0.121 0.000 1.151 706 I CA 1.186 62.605 61.300 0.197 0.000 1.421 706 I CB 0.037 38.191 38.000 0.257 0.000 1.079 706 I HN 0.199 nan 8.210 nan 0.000 0.431 707 K N -0.328 120.143 120.400 0.118 0.000 2.202 707 K HA 0.062 4.386 4.320 0.005 0.000 0.201 707 K C 1.890 178.546 176.600 0.094 0.000 1.051 707 K CA 1.688 58.045 56.287 0.118 0.000 0.977 707 K CB -0.471 32.133 32.500 0.174 0.000 0.792 707 K HN 0.407 nan 8.250 nan 0.000 0.469 708 T N -1.756 112.853 114.554 0.092 0.000 3.014 708 T HA 0.085 4.438 4.350 0.005 0.000 0.250 708 T C 0.450 175.207 174.700 0.095 0.000 1.060 708 T CA -0.245 61.908 62.100 0.088 0.000 1.040 708 T CB 0.235 69.162 68.868 0.098 0.000 0.971 708 T HN -0.175 nan 8.240 nan 0.000 0.497 709 D N 2.247 122.706 120.400 0.099 0.000 2.232 709 D HA 0.263 4.906 4.640 0.005 0.000 0.242 709 D C 1.406 177.742 176.300 0.060 0.000 1.093 709 D CA -0.509 53.570 54.000 0.132 0.000 0.845 709 D CB 2.096 43.004 40.800 0.179 0.000 1.124 709 D HN 0.107 nan 8.370 nan 0.000 0.467 710 V N 1.673 121.583 119.914 -0.008 0.000 3.461 710 V HA 0.130 4.254 4.120 0.005 0.000 0.267 710 V C 0.401 176.365 176.094 -0.216 0.000 1.186 710 V CA 0.514 62.741 62.300 -0.121 0.000 1.154 710 V CB -1.213 30.514 31.823 -0.161 0.000 0.802 710 V HN 0.393 nan 8.190 nan 0.000 0.474 711 H N 0.647 119.714 119.070 -0.005 0.000 2.511 711 H HA 0.586 5.146 4.556 0.005 0.000 0.346 711 H C 0.713 175.967 175.328 -0.124 0.000 1.128 711 H CA 0.120 56.132 56.048 -0.060 0.000 1.342 711 H CB 0.940 30.649 29.762 -0.088 0.000 1.470 711 H HN 0.250 nan 8.280 nan 0.000 0.546 712 S N 3.242 118.913 115.700 -0.048 0.000 2.579 712 S HA 0.078 4.551 4.470 0.005 0.000 0.275 712 S C -2.125 172.309 174.600 -0.276 0.000 1.345 712 S CA -1.044 57.078 58.200 -0.129 0.000 1.031 712 S CB 0.219 63.410 63.200 -0.014 0.000 0.892 712 S HN 0.515 nan 8.310 nan 0.000 0.529 713 P HA 0.097 nan 4.420 nan 0.000 0.267 713 P C 1.080 178.018 177.300 -0.604 0.000 1.200 713 P CA -0.016 62.717 63.100 -0.612 0.000 0.772 713 P CB 0.189 31.094 31.700 -1.325 0.000 0.855 714 G N 3.084 111.526 108.800 -0.597 0.000 2.469 714 G HA2 -0.299 3.664 3.960 0.005 0.000 0.219 714 G HA3 -0.299 3.664 3.960 0.005 0.000 0.219 714 G C 1.258 175.764 174.900 -0.656 0.000 1.150 714 G CA 0.713 45.311 45.100 -0.836 0.000 0.763 714 G HN 0.663 nan 8.290 nan 0.000 0.561 715 N N 0.737 118.905 118.700 -0.886 0.000 2.166 715 N HA -0.127 4.617 4.740 0.005 0.000 0.186 715 N C 1.938 176.825 175.510 -1.039 0.000 1.019 715 N CA 1.347 53.520 53.050 -1.461 0.000 0.856 715 N CB -0.836 36.474 38.487 -1.961 0.000 0.993 715 N HN 0.438 nan 8.380 nan 0.000 0.426 716 F N 1.073 120.585 119.950 -0.729 0.000 2.367 716 F HA 0.210 4.741 4.527 0.005 0.000 0.298 716 F C 2.673 178.263 175.800 -0.351 0.000 1.094 716 F CA 0.036 57.608 58.000 -0.713 0.000 1.409 716 F CB 0.026 38.549 39.000 -0.796 0.000 1.064 716 F HN -0.110 nan 8.300 nan 0.000 0.528 717 R N 0.387 120.801 120.500 -0.143 0.000 2.096 717 R HA -0.195 4.148 4.340 0.005 0.000 0.240 717 R C 1.944 178.268 176.300 0.041 0.000 1.139 717 R CA 1.802 57.885 56.100 -0.029 0.000 0.952 717 R CB -0.746 29.378 30.300 -0.293 0.000 0.854 717 R HN 0.262 nan 8.270 nan 0.000 0.436 718 I N 0.552 121.077 120.570 -0.074 0.000 2.133 718 I HA -0.243 3.931 4.170 0.005 0.000 0.238 718 I C 2.235 178.383 176.117 0.051 0.000 1.074 718 I CA 1.460 62.798 61.300 0.064 0.000 1.342 718 I CB -0.398 37.674 38.000 0.121 0.000 1.053 718 I HN 0.010 nan 8.210 nan 0.000 0.404 719 I N 0.801 121.320 120.570 -0.085 0.000 2.179 719 I HA -0.221 3.952 4.170 0.005 0.000 0.242 719 I C 2.683 178.755 176.117 -0.075 0.000 1.088 719 I CA 1.857 63.095 61.300 -0.104 0.000 1.357 719 I CB -1.244 36.654 38.000 -0.170 0.000 1.051 719 I HN 0.303 nan 8.210 nan 0.000 0.409 720 G N 0.477 109.235 108.800 -0.071 0.000 2.553 720 G HA2 -0.353 3.610 3.960 0.005 0.000 0.218 720 G HA3 -0.353 3.610 3.960 0.005 0.000 0.218 720 G C 1.757 176.714 174.900 0.095 0.000 1.195 720 G CA 2.087 47.164 45.100 -0.039 0.000 0.779 720 G HN 0.471 nan 8.290 nan 0.000 0.577 721 T N -0.475 114.198 114.554 0.199 0.000 2.812 721 T HA 0.117 4.470 4.350 0.005 0.000 0.264 721 T C 2.486 177.227 174.700 0.068 0.000 1.042 721 T CA 1.048 63.281 62.100 0.222 0.000 1.140 721 T CB -0.262 68.835 68.868 0.381 0.000 0.870 721 T HN 0.179 nan 8.240 nan 0.000 0.445 722 L N 0.586 121.780 121.223 -0.048 0.000 2.109 722 L HA -0.001 4.343 4.340 0.005 0.000 0.207 722 L C 3.174 179.875 176.870 -0.282 0.000 1.086 722 L CA 1.094 55.726 54.840 -0.346 0.000 0.760 722 L CB -0.697 40.836 42.059 -0.875 0.000 0.910 722 L HN 0.271 nan 8.230 nan 0.000 0.437 723 Q N 0.086 119.766 119.800 -0.200 0.000 2.217 723 Q HA -0.221 4.123 4.340 0.005 0.000 0.209 723 Q C 1.341 177.293 176.000 -0.080 0.000 0.988 723 Q CA 1.386 57.100 55.803 -0.148 0.000 0.878 723 Q CB -0.079 28.568 28.738 -0.150 0.000 0.909 723 Q HN 0.481 nan 8.270 nan 0.000 0.424 724 N N -0.500 118.174 118.700 -0.043 0.000 2.280 724 N HA -0.000 4.743 4.740 0.005 0.000 0.192 724 N C -0.396 175.118 175.510 0.006 0.000 1.109 724 N CA 0.177 53.224 53.050 -0.005 0.000 0.855 724 N CB 0.872 39.382 38.487 0.039 0.000 0.974 724 N HN -0.068 nan 8.380 nan 0.000 0.482 725 S N 0.165 115.858 115.700 -0.011 0.000 2.461 725 S HA 0.535 5.008 4.470 0.005 0.000 0.322 725 S C 1.156 175.753 174.600 -0.006 0.000 1.063 725 S CA -0.612 57.589 58.200 0.002 0.000 1.120 725 S CB 0.922 64.118 63.200 -0.006 0.000 0.968 725 S HN 0.238 nan 8.310 nan 0.000 0.467 726 A N 4.661 127.478 122.820 -0.004 0.000 1.948 726 A HA -0.096 4.228 4.320 0.005 0.000 0.220 726 A C 1.843 179.395 177.584 -0.054 0.000 1.177 726 A CA 1.963 53.990 52.037 -0.017 0.000 0.636 726 A CB -0.688 18.311 19.000 -0.001 0.000 0.815 726 A HN 0.792 nan 8.150 nan 0.000 0.449 727 E N -0.958 119.203 120.200 -0.064 0.000 2.077 727 E HA -0.134 4.219 4.350 0.005 0.000 0.193 727 E C 1.607 178.062 176.600 -0.242 0.000 0.989 727 E CA 1.265 57.585 56.400 -0.134 0.000 0.800 727 E CB -0.503 29.023 29.700 -0.289 0.000 0.746 727 E HN 0.729 nan 8.360 nan 0.000 0.452 728 F N 0.758 120.370 119.950 -0.563 0.000 2.126 728 F HA -0.241 4.290 4.527 0.006 0.000 0.299 728 F C 2.185 177.705 175.800 -0.467 0.000 1.096 728 F CA 1.490 58.862 58.000 -1.046 0.000 1.255 728 F CB -0.109 38.258 39.000 -1.055 0.000 0.997 728 F HN -0.096 nan 8.300 nan 0.000 0.479 729 S N -0.135 115.359 115.700 -0.344 0.000 2.414 729 S HA -0.142 4.331 4.470 0.005 0.000 0.227 729 S C 1.920 176.336 174.600 -0.306 0.000 1.022 729 S CA 0.763 58.782 58.200 -0.303 0.000 0.958 729 S CB -0.388 62.773 63.200 -0.065 0.000 0.797 729 S HN 0.448 nan 8.310 nan 0.000 0.493 730 E N 2.023 122.070 120.200 -0.256 0.000 2.077 730 E HA -0.106 4.247 4.350 0.005 0.000 0.193 730 E C 1.999 178.339 176.600 -0.432 0.000 0.989 730 E CA 1.298 57.555 56.400 -0.239 0.000 0.800 730 E CB -0.271 29.353 29.700 -0.127 0.000 0.746 730 E HN 0.443 nan 8.360 nan 0.000 0.452 731 A N -0.628 121.902 122.820 -0.483 0.000 1.968 731 A HA -0.058 4.265 4.320 0.005 0.000 0.217 731 A C 1.538 178.505 177.584 -1.029 0.000 1.169 731 A CA 0.823 52.493 52.037 -0.611 0.000 0.638 731 A CB -0.386 18.380 19.000 -0.389 0.000 0.812 731 A HN 0.239 nan 8.150 nan 0.000 0.446 732 F N -1.230 118.268 119.950 -0.754 0.000 2.654 732 F HA 0.260 4.790 4.527 0.005 0.000 0.303 732 F C 0.208 175.802 175.800 -0.344 0.000 1.099 732 F CA -0.189 57.481 58.000 -0.549 0.000 1.270 732 F CB -0.318 38.307 39.000 -0.624 0.000 1.024 732 F HN 0.414 nan 8.300 nan 0.000 0.548 733 H N -2.156 116.849 119.070 -0.108 0.000 2.692 733 H HA -0.201 4.358 4.556 0.005 0.000 0.316 733 H C -0.132 175.176 175.328 -0.034 0.000 1.176 733 H CA -0.106 55.905 56.048 -0.062 0.000 1.142 733 H CB -2.333 27.406 29.762 -0.039 0.000 1.475 733 H HN 0.194 nan 8.280 nan 0.000 0.423 734 c N 1.107 119.703 118.600 -0.006 0.000 2.514 734 c HA 0.268 4.841 4.570 0.005 0.000 0.392 734 c C 1.550 175.660 174.090 0.033 0.000 1.294 734 c CA -0.637 55.705 56.329 0.021 0.000 1.957 734 c CB 0.039 42.550 42.510 0.001 0.000 2.541 734 c HN 0.558 nan 8.230 nan 0.000 0.569 735 R N 1.764 122.293 120.500 0.048 0.000 2.698 735 R HA 0.032 4.375 4.340 0.005 0.000 0.266 735 R C 0.494 176.815 176.300 0.035 0.000 1.026 735 R CA 0.303 56.428 56.100 0.041 0.000 1.102 735 R CB 0.364 30.691 30.300 0.045 0.000 0.978 735 R HN 0.638 nan 8.270 nan 0.000 0.436 736 K N 2.647 123.062 120.400 0.026 0.000 2.504 736 K HA -0.241 4.082 4.320 0.005 0.000 0.278 736 K C -0.073 176.543 176.600 0.026 0.000 1.025 736 K CA 0.588 56.887 56.287 0.020 0.000 1.093 736 K CB 0.171 32.680 32.500 0.015 0.000 0.873 736 K HN 0.599 nan 8.250 nan 0.000 0.483 737 N N 0.884 119.598 118.700 0.023 0.000 2.828 737 N HA -0.190 4.553 4.740 0.005 0.000 0.248 737 N C -0.619 174.924 175.510 0.056 0.000 1.044 737 N CA 1.293 54.361 53.050 0.029 0.000 0.851 737 N CB -1.479 37.023 38.487 0.026 0.000 1.136 737 N HN 0.759 nan 8.380 nan 0.000 0.572 738 S N -0.717 115.022 115.700 0.065 0.000 2.560 738 S HA -0.023 4.450 4.470 0.005 0.000 0.276 738 S C 1.273 175.950 174.600 0.130 0.000 1.350 738 S CA 0.147 58.409 58.200 0.105 0.000 1.024 738 S CB 0.519 63.780 63.200 0.103 0.000 0.864 738 S HN 0.324 nan 8.310 nan 0.000 0.536 739 Y N 1.544 121.881 120.300 0.060 0.000 2.165 739 Y HA -0.145 4.408 4.550 0.005 0.000 0.286 739 Y C 2.169 178.111 175.900 0.071 0.000 1.155 739 Y CA 1.821 59.961 58.100 0.065 0.000 1.164 739 Y CB -0.104 38.399 38.460 0.072 0.000 0.978 739 Y HN 0.530 nan 8.280 nan 0.000 0.513 740 M N -0.135 119.497 119.600 0.054 0.000 2.595 740 M HA -0.024 4.459 4.480 0.005 0.000 0.248 740 M C 0.266 176.555 176.300 -0.018 0.000 1.119 740 M CA 0.836 56.125 55.300 -0.019 0.000 1.079 740 M CB -0.825 31.893 32.600 0.197 0.000 1.472 740 M HN 0.268 nan 8.290 nan 0.000 0.501 741 N N 1.095 119.793 118.700 -0.004 0.000 2.679 741 N HA 0.220 4.963 4.740 0.005 0.000 0.302 741 N C -2.789 172.710 175.510 -0.019 0.000 1.941 741 N CA -1.750 51.305 53.050 0.008 0.000 0.875 741 N CB 1.088 39.599 38.487 0.041 0.000 1.278 741 N HN -0.009 nan 8.380 nan 0.000 0.490 742 P HA 0.060 nan 4.420 nan 0.000 0.269 742 P C 0.774 178.054 177.300 -0.033 0.000 1.209 742 P CA -0.004 63.065 63.100 -0.051 0.000 0.776 742 P CB 1.514 33.160 31.700 -0.089 0.000 0.876 743 E N 1.766 121.951 120.200 -0.023 0.000 2.051 743 E HA -0.158 4.195 4.350 0.005 0.000 0.192 743 E C 0.687 177.273 176.600 -0.024 0.000 0.991 743 E CA 1.248 57.638 56.400 -0.018 0.000 0.799 743 E CB 0.045 29.737 29.700 -0.013 0.000 0.748 743 E HN 0.430 nan 8.360 nan 0.000 0.449 744 K N 1.419 121.800 120.400 -0.033 0.000 2.312 744 K HA 0.079 4.403 4.320 0.005 0.000 0.287 744 K C -0.722 175.851 176.600 -0.045 0.000 1.062 744 K CA 0.126 56.391 56.287 -0.037 0.000 0.934 744 K CB 0.481 32.957 32.500 -0.041 0.000 1.027 744 K HN -0.226 nan 8.250 nan 0.000 0.478 745 K N 3.764 124.141 120.400 -0.038 0.000 2.378 745 K HA 0.345 4.668 4.320 0.005 0.000 0.252 745 K C -0.988 175.588 176.600 -0.040 0.000 0.931 745 K CA -0.963 55.303 56.287 -0.036 0.000 0.794 745 K CB 1.811 34.298 32.500 -0.022 0.000 1.181 745 K HN 0.604 nan 8.250 nan 0.000 0.425 746 c N 1.604 120.181 118.600 -0.039 0.000 2.466 746 c HA 0.531 5.104 4.570 0.005 0.000 0.379 746 c C 0.311 174.370 174.090 -0.052 0.000 1.251 746 c CA -0.580 55.713 56.329 -0.060 0.000 2.263 746 c CB -0.086 42.396 42.510 -0.046 0.000 2.511 746 c HN 0.849 nan 8.230 nan 0.000 0.573 747 R N 1.318 121.755 120.500 -0.106 0.000 2.535 747 R HA 0.569 4.912 4.340 0.005 0.000 0.274 747 R C -0.441 175.724 176.300 -0.226 0.000 1.090 747 R CA -0.354 55.696 56.100 -0.083 0.000 0.930 747 R CB 1.344 31.634 30.300 -0.017 0.000 1.223 747 R HN 0.592 nan 8.270 nan 0.000 0.441 748 V N 4.197 123.986 119.914 -0.208 0.000 3.430 748 V HA 0.597 4.720 4.120 0.005 0.000 0.211 748 V C -0.459 175.559 176.094 -0.126 0.000 1.173 748 V CA 0.019 62.048 62.300 -0.452 0.000 1.310 748 V CB -0.171 31.253 31.823 -0.665 0.000 1.361 748 V HN 0.647 nan 8.190 nan 0.000 0.512 749 W N 0.000 121.468 121.300 0.280 0.000 2.388 749 W HA 0.000 4.663 4.660 0.005 0.000 0.303 749 W CA 0.000 57.506 57.345 0.269 0.000 1.226 749 W CB 0.000 29.636 29.460 0.293 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535