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 1dmt_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 0.006 0.000 0.244 54 G C 0.000 174.934 174.900 0.057 0.000 0.946 54 G CA 0.000 45.127 45.100 0.044 0.000 0.502 55 I N 1.144 121.744 120.570 0.049 0.000 2.378 55 I HA 0.290 4.464 4.170 0.006 0.000 0.291 55 I C 0.586 176.735 176.117 0.053 0.000 0.992 55 I CA -0.932 60.400 61.300 0.054 0.000 1.154 55 I CB 1.885 39.910 38.000 0.041 0.000 1.315 55 I HN 0.148 nan 8.210 nan 0.000 0.448 56 c N 7.099 125.739 118.600 0.067 0.000 2.651 56 c HA 0.110 4.684 4.570 0.006 0.000 0.410 56 c C 1.107 175.222 174.090 0.042 0.000 1.372 56 c CA -0.222 56.143 56.329 0.059 0.000 1.707 56 c CB -0.974 41.584 42.510 0.079 0.000 2.501 56 c HN 0.797 nan 8.230 nan 0.000 0.598 57 K N 4.035 124.455 120.400 0.032 0.000 2.537 57 K HA 0.197 4.520 4.320 0.006 0.000 0.206 57 K C 0.631 177.241 176.600 0.017 0.000 1.041 57 K CA 0.012 56.313 56.287 0.023 0.000 1.090 57 K CB 0.025 32.536 32.500 0.020 0.000 0.833 57 K HN 0.675 nan 8.250 nan 0.000 0.493 58 S N -0.961 114.750 115.700 0.018 0.000 2.603 58 S HA 0.177 4.651 4.470 0.006 0.000 0.268 58 S C 1.118 175.721 174.600 0.006 0.000 1.317 58 S CA -0.450 57.757 58.200 0.011 0.000 1.012 58 S CB 1.515 64.722 63.200 0.011 0.000 0.926 58 S HN 0.099 nan 8.310 nan 0.000 0.539 59 S N 1.186 116.886 115.700 -0.000 0.000 2.374 59 S HA -0.144 4.329 4.470 0.006 0.000 0.227 59 S C 1.420 176.015 174.600 -0.009 0.000 1.037 59 S CA 1.643 59.840 58.200 -0.005 0.000 1.024 59 S CB -0.644 62.551 63.200 -0.008 0.000 0.861 59 S HN 0.807 nan 8.310 nan 0.000 0.456 60 D N 0.396 120.789 120.400 -0.012 0.000 2.144 60 D HA -0.054 4.589 4.640 0.006 0.000 0.200 60 D C 2.036 178.328 176.300 -0.013 0.000 0.978 60 D CA 0.931 54.918 54.000 -0.021 0.000 0.833 60 D CB -0.252 40.529 40.800 -0.031 0.000 0.961 60 D HN 0.391 nan 8.370 nan 0.000 0.470 61 c N 0.989 119.590 118.600 0.003 0.000 2.446 61 c HA -0.091 4.482 4.570 0.006 0.000 0.277 61 c C 2.831 176.927 174.090 0.011 0.000 1.275 61 c CA 0.167 56.506 56.329 0.018 0.000 1.727 61 c CB -0.865 41.666 42.510 0.035 0.000 2.010 61 c HN 0.433 nan 8.230 nan 0.000 0.486 62 I N 0.210 120.784 120.570 0.006 0.000 2.546 62 I HA -0.050 4.123 4.170 0.006 0.000 0.255 62 I C 2.105 178.219 176.117 -0.005 0.000 1.163 62 I CA 1.761 63.062 61.300 0.003 0.000 1.457 62 I CB -0.623 37.379 38.000 0.003 0.000 1.092 62 I HN 0.127 nan 8.210 nan 0.000 0.434 63 K N 1.456 121.850 120.400 -0.010 0.000 2.025 63 K HA -0.080 4.243 4.320 0.006 0.000 0.207 63 K C 2.346 178.933 176.600 -0.022 0.000 1.049 63 K CA 1.855 58.132 56.287 -0.016 0.000 0.933 63 K CB -0.242 32.246 32.500 -0.021 0.000 0.714 63 K HN 0.598 nan 8.250 nan 0.000 0.438 64 S N 0.989 116.675 115.700 -0.024 0.000 2.383 64 S HA -0.096 4.377 4.470 0.006 0.000 0.227 64 S C 2.276 176.863 174.600 -0.022 0.000 1.026 64 S CA 0.923 59.105 58.200 -0.031 0.000 0.981 64 S CB -0.325 62.856 63.200 -0.031 0.000 0.818 64 S HN 0.301 nan 8.310 nan 0.000 0.472 65 A N 2.263 125.078 122.820 -0.008 0.000 1.902 65 A HA 0.265 4.588 4.320 0.006 0.000 0.217 65 A C 2.517 180.093 177.584 -0.014 0.000 1.181 65 A CA 1.736 53.769 52.037 -0.005 0.000 0.623 65 A CB -1.428 17.575 19.000 0.004 0.000 0.818 65 A HN 0.780 nan 8.150 nan 0.000 0.443 66 A N -0.508 122.304 122.820 -0.014 0.000 1.933 66 A HA -0.160 4.163 4.320 0.006 0.000 0.218 66 A C 2.290 179.861 177.584 -0.022 0.000 1.175 66 A CA 1.636 53.664 52.037 -0.016 0.000 0.628 66 A CB -0.502 18.491 19.000 -0.012 0.000 0.814 66 A HN 0.448 nan 8.150 nan 0.000 0.444 67 R N 0.028 120.511 120.500 -0.028 0.000 2.066 67 R HA -0.063 4.280 4.340 0.006 0.000 0.232 67 R C 2.020 178.292 176.300 -0.048 0.000 1.131 67 R CA 1.719 57.798 56.100 -0.035 0.000 0.955 67 R CB -0.714 29.555 30.300 -0.051 0.000 0.851 67 R HN 0.544 nan 8.270 nan 0.000 0.432 68 L N 0.501 121.693 121.223 -0.052 0.000 2.012 68 L HA -0.205 4.139 4.340 0.006 0.000 0.210 68 L C 2.628 179.455 176.870 -0.073 0.000 1.073 68 L CA 1.397 56.200 54.840 -0.061 0.000 0.748 68 L CB -0.409 41.630 42.059 -0.034 0.000 0.891 68 L HN 0.183 nan 8.230 nan 0.000 0.431 69 I N -0.679 119.860 120.570 -0.053 0.000 2.179 69 I HA -0.328 3.845 4.170 0.006 0.000 0.242 69 I C 2.600 178.679 176.117 -0.063 0.000 1.088 69 I CA 1.441 62.707 61.300 -0.057 0.000 1.357 69 I CB -0.304 37.676 38.000 -0.033 0.000 1.051 69 I HN 0.339 nan 8.210 nan 0.000 0.409 70 Q N 0.285 120.060 119.800 -0.042 0.000 2.167 70 Q HA -0.160 4.183 4.340 0.006 0.000 0.202 70 Q C 1.862 177.848 176.000 -0.024 0.000 0.970 70 Q CA 1.171 56.955 55.803 -0.031 0.000 0.855 70 Q CB -0.094 28.636 28.738 -0.014 0.000 0.911 70 Q HN 0.475 nan 8.270 nan 0.000 0.438 71 N N 0.349 119.033 118.700 -0.027 0.000 2.333 71 N HA -0.006 4.737 4.740 0.006 0.000 0.178 71 N C 0.906 176.360 175.510 -0.094 0.000 1.018 71 N CA 0.573 53.622 53.050 -0.003 0.000 0.882 71 N CB -0.029 38.439 38.487 -0.033 0.000 0.984 71 N HN 0.375 nan 8.380 nan 0.000 0.434 72 M N -0.089 119.404 119.600 -0.178 0.000 2.163 72 M HA 0.270 4.753 4.480 0.006 0.000 0.305 72 M C -0.703 175.437 176.300 -0.267 0.000 1.166 72 M CA 0.060 55.169 55.300 -0.318 0.000 1.132 72 M CB 0.848 33.168 32.600 -0.467 0.000 1.413 72 M HN -0.234 nan 8.290 nan 0.000 0.478 73 D N 1.100 121.301 120.400 -0.330 0.000 2.375 73 D HA 0.487 5.131 4.640 0.006 0.000 0.259 73 D C 0.382 176.585 176.300 -0.161 0.000 1.235 73 D CA -0.288 53.600 54.000 -0.187 0.000 0.924 73 D CB 1.259 41.983 40.800 -0.127 0.000 1.143 73 D HN 0.746 nan 8.370 nan 0.000 0.529 74 A N 2.339 125.084 122.820 -0.125 0.000 2.178 74 A HA -0.099 4.224 4.320 0.006 0.000 0.218 74 A C 1.914 179.575 177.584 0.127 0.000 1.157 74 A CA 1.746 53.801 52.037 0.030 0.000 0.689 74 A CB -0.635 18.385 19.000 0.034 0.000 0.787 74 A HN 0.588 nan 8.150 nan 0.000 0.465 75 T N -3.613 110.981 114.554 0.067 0.000 3.118 75 T HA 0.068 4.421 4.350 0.006 0.000 0.260 75 T C 0.712 175.467 174.700 0.092 0.000 1.139 75 T CA 1.049 63.192 62.100 0.070 0.000 1.085 75 T CB -0.456 68.433 68.868 0.035 0.000 0.934 75 T HN 0.190 nan 8.240 nan 0.000 0.518 76 T N 2.781 117.413 114.554 0.129 0.000 2.837 76 T HA 0.331 4.684 4.350 0.006 0.000 0.285 76 T C -0.327 174.484 174.700 0.185 0.000 0.984 76 T CA -0.580 61.602 62.100 0.136 0.000 1.049 76 T CB 1.465 70.402 68.868 0.115 0.000 0.947 76 T HN 0.117 nan 8.240 nan 0.000 0.472 77 E N 3.573 123.840 120.200 0.112 0.000 2.324 77 E HA 0.145 4.498 4.350 0.006 0.000 0.271 77 E C -1.671 174.936 176.600 0.012 0.000 1.028 77 E CA -2.409 54.032 56.400 0.067 0.000 0.890 77 E CB 1.408 31.152 29.700 0.073 0.000 1.004 77 E HN 0.265 nan 8.360 nan 0.000 0.431 78 P HA -0.118 nan 4.420 nan 0.000 0.216 78 P C 0.759 178.127 177.300 0.113 0.000 1.150 78 P CA 1.040 63.975 63.100 -0.276 0.000 0.837 78 P CB 0.304 31.594 31.700 -0.683 0.000 0.786 79 c N -2.325 116.324 118.600 0.081 0.000 2.562 79 c HA 0.062 4.635 4.570 0.006 0.000 0.266 79 c C 2.398 176.609 174.090 0.202 0.000 1.382 79 c CA 0.994 57.415 56.329 0.153 0.000 1.742 79 c CB -1.705 40.860 42.510 0.092 0.000 1.812 79 c HN 0.300 nan 8.230 nan 0.000 0.559 80 T N -0.959 113.707 114.554 0.185 0.000 3.010 80 T HA 0.011 4.364 4.350 0.006 0.000 0.252 80 T C 0.234 175.088 174.700 0.257 0.000 1.047 80 T CA 1.201 63.422 62.100 0.202 0.000 1.140 80 T CB 0.038 68.975 68.868 0.116 0.000 0.885 80 T HN 0.430 nan 8.240 nan 0.000 0.464 81 D N -0.464 120.078 120.400 0.238 0.000 2.312 81 D HA 0.136 4.779 4.640 0.006 0.000 0.229 81 D C -0.345 176.117 176.300 0.269 0.000 1.337 81 D CA -0.512 53.642 54.000 0.256 0.000 0.964 81 D CB 0.032 40.917 40.800 0.143 0.000 1.456 81 D HN -0.038 nan 8.370 nan 0.000 0.547 82 F N 2.753 122.782 119.950 0.131 0.000 2.293 82 F HA 0.041 4.571 4.527 0.005 0.000 0.300 82 F C 1.636 177.548 175.800 0.187 0.000 1.086 82 F CA 0.792 58.864 58.000 0.119 0.000 1.375 82 F CB -0.081 38.908 39.000 -0.018 0.000 1.045 82 F HN 0.459 nan 8.300 nan 0.000 0.516 83 F N 0.715 120.726 119.950 0.102 0.000 2.102 83 F HA -0.229 4.301 4.527 0.006 0.000 0.298 83 F C 2.166 177.947 175.800 -0.031 0.000 1.105 83 F CA 1.536 59.537 58.000 0.002 0.000 1.239 83 F CB -0.204 38.764 39.000 -0.054 0.000 0.991 83 F HN -0.257 nan 8.300 nan 0.000 0.474 84 K N -0.162 120.152 120.400 -0.144 0.000 2.057 84 K HA -0.195 4.129 4.320 0.006 0.000 0.206 84 K C 1.821 178.311 176.600 -0.184 0.000 1.050 84 K CA 1.813 57.960 56.287 -0.232 0.000 0.935 84 K CB -1.097 31.375 32.500 -0.048 0.000 0.715 84 K HN 0.498 nan 8.250 nan 0.000 0.439 85 Y N 0.484 120.631 120.300 -0.256 0.000 2.145 85 Y HA -0.221 4.332 4.550 0.005 0.000 0.286 85 Y C 1.943 177.597 175.900 -0.410 0.000 1.145 85 Y CA 1.851 59.769 58.100 -0.304 0.000 1.148 85 Y CB -0.408 37.838 38.460 -0.357 0.000 0.981 85 Y HN 0.047 nan 8.280 nan 0.000 0.507 86 A N -1.495 121.021 122.820 -0.507 0.000 1.929 86 A HA -0.099 4.224 4.320 0.006 0.000 0.216 86 A C 1.940 179.311 177.584 -0.355 0.000 1.176 86 A CA 1.523 53.258 52.037 -0.503 0.000 0.628 86 A CB -1.104 17.652 19.000 -0.407 0.000 0.816 86 A HN 0.585 nan 8.150 nan 0.000 0.444 87 c N -1.507 116.864 118.600 -0.382 0.000 3.336 87 c HA 0.356 4.929 4.570 0.006 0.000 0.291 87 c C 2.554 176.499 174.090 -0.242 0.000 1.363 87 c CA -0.583 55.552 56.329 -0.324 0.000 1.737 87 c CB -0.636 41.580 42.510 -0.491 0.000 2.274 87 c HN 0.651 nan 8.230 nan 0.000 0.663 88 G N 1.869 110.500 108.800 -0.283 0.000 2.469 88 G HA2 -0.088 3.875 3.960 0.006 0.000 0.220 88 G HA3 -0.088 3.875 3.960 0.006 0.000 0.220 88 G C 1.722 176.565 174.900 -0.096 0.000 1.136 88 G CA 1.403 46.394 45.100 -0.183 0.000 0.759 88 G HN 0.555 nan 8.290 nan 0.000 0.562 89 G N -0.367 108.380 108.800 -0.089 0.000 2.418 89 G HA2 -0.217 3.746 3.960 0.006 0.000 0.217 89 G HA3 -0.217 3.746 3.960 0.006 0.000 0.217 89 G C 1.576 176.463 174.900 -0.023 0.000 1.158 89 G CA 0.889 45.954 45.100 -0.058 0.000 0.771 89 G HN 0.500 nan 8.290 nan 0.000 0.545 90 W N 0.618 121.840 121.300 -0.131 0.000 2.379 90 W HA 0.011 4.675 4.660 0.006 0.000 0.307 90 W C 2.207 178.691 176.519 -0.057 0.000 1.200 90 W CA 0.655 57.945 57.345 -0.092 0.000 1.297 90 W CB -0.219 29.174 29.460 -0.111 0.000 1.140 90 W HN 0.081 nan 8.180 nan 0.000 0.507 91 L N 1.575 122.903 121.223 0.176 0.000 2.012 91 L HA -0.243 4.101 4.340 0.006 0.000 0.210 91 L C 2.486 179.289 176.870 -0.112 0.000 1.073 91 L CA 2.176 57.063 54.840 0.079 0.000 0.748 91 L CB -1.716 40.398 42.059 0.092 0.000 0.891 91 L HN 0.089 nan 8.230 nan 0.000 0.431 92 K N -0.494 119.844 120.400 -0.103 0.000 2.148 92 K HA -0.136 4.188 4.320 0.006 0.000 0.204 92 K C 2.127 178.633 176.600 -0.156 0.000 1.050 92 K CA 1.007 57.231 56.287 -0.105 0.000 0.942 92 K CB 0.123 32.577 32.500 -0.077 0.000 0.724 92 K HN 0.265 nan 8.250 nan 0.000 0.446 93 R N 0.106 120.467 120.500 -0.232 0.000 2.161 93 R HA 0.092 4.435 4.340 0.006 0.000 0.213 93 R C 0.433 176.534 176.300 -0.331 0.000 1.055 93 R CA 0.320 56.267 56.100 -0.254 0.000 0.996 93 R CB 0.094 30.238 30.300 -0.260 0.000 0.901 93 R HN 0.176 nan 8.270 nan 0.000 0.456 94 N N 0.384 118.770 118.700 -0.522 0.000 2.443 94 N HA 0.337 5.080 4.740 0.006 0.000 0.293 94 N C -1.140 174.190 175.510 -0.299 0.000 1.159 94 N CA -0.323 52.415 53.050 -0.519 0.000 0.904 94 N CB 2.722 40.563 38.487 -1.078 0.000 1.214 94 N HN -0.231 nan 8.380 nan 0.000 0.513 95 V N 1.700 121.497 119.914 -0.196 0.000 2.709 95 V HA 0.385 4.509 4.120 0.006 0.000 0.308 95 V C 0.138 176.148 176.094 -0.140 0.000 1.062 95 V CA -0.814 61.415 62.300 -0.118 0.000 0.901 95 V CB 2.208 33.968 31.823 -0.105 0.000 1.003 95 V HN 0.523 nan 8.190 nan 0.000 0.425 96 I N 5.740 126.273 120.570 -0.062 0.000 2.662 96 I HA 0.114 4.288 4.170 0.006 0.000 0.285 96 I C -1.985 174.000 176.117 -0.220 0.000 1.161 96 I CA -1.050 60.182 61.300 -0.113 0.000 1.415 96 I CB 0.388 38.407 38.000 0.032 0.000 1.385 96 I HN 0.409 nan 8.210 nan 0.000 0.552 97 P HA -0.043 nan 4.420 nan 0.000 0.267 97 P C 0.574 177.778 177.300 -0.159 0.000 1.201 97 P CA -0.085 62.841 63.100 -0.290 0.000 0.775 97 P CB 0.503 31.985 31.700 -0.364 0.000 0.854 98 E N 0.698 120.830 120.200 -0.114 0.000 2.209 98 E HA -0.136 4.217 4.350 0.006 0.000 0.196 98 E C 1.506 178.063 176.600 -0.071 0.000 0.993 98 E CA 1.863 58.219 56.400 -0.074 0.000 0.819 98 E CB -0.817 28.848 29.700 -0.059 0.000 0.745 98 E HN 0.613 nan 8.360 nan 0.000 0.477 99 T N -2.551 111.946 114.554 -0.094 0.000 3.107 99 T HA 0.168 4.521 4.350 0.006 0.000 0.249 99 T C 0.869 175.505 174.700 -0.107 0.000 1.096 99 T CA -0.254 61.788 62.100 -0.097 0.000 1.012 99 T CB 0.264 69.065 68.868 -0.112 0.000 0.977 99 T HN -0.195 nan 8.240 nan 0.000 0.527 100 S N 0.664 116.304 115.700 -0.101 0.000 2.509 100 S HA 0.531 5.004 4.470 0.006 0.000 0.297 100 S C 0.837 175.403 174.600 -0.057 0.000 1.118 100 S CA -0.800 57.350 58.200 -0.083 0.000 1.074 100 S CB 1.926 65.094 63.200 -0.053 0.000 1.038 100 S HN 0.211 nan 8.310 nan 0.000 0.498 101 S N 0.978 116.613 115.700 -0.108 0.000 2.439 101 S HA 0.171 4.644 4.470 0.006 0.000 0.224 101 S C 0.713 175.317 174.600 0.006 0.000 1.029 101 S CA 0.459 58.596 58.200 -0.105 0.000 0.946 101 S CB 0.118 63.008 63.200 -0.516 0.000 0.797 101 S HN 0.682 nan 8.310 nan 0.000 0.504 102 R N -0.597 119.875 120.500 -0.047 0.000 2.668 102 R HA 0.446 4.790 4.340 0.006 0.000 0.272 102 R C -2.302 174.070 176.300 0.121 0.000 1.019 102 R CA -0.550 55.526 56.100 -0.041 0.000 0.894 102 R CB 1.210 31.345 30.300 -0.275 0.000 1.228 102 R HN 0.153 nan 8.270 nan 0.000 0.460 103 Y N 1.118 121.423 120.300 0.008 0.000 2.534 103 Y HA 0.724 5.277 4.550 0.005 0.000 0.345 103 Y C -0.337 175.641 175.900 0.130 0.000 1.031 103 Y CA 0.429 58.609 58.100 0.133 0.000 1.022 103 Y CB 2.546 41.160 38.460 0.257 0.000 1.292 103 Y HN 0.945 nan 8.280 nan 0.000 0.459 104 G N 2.913 111.497 108.800 -0.360 0.000 2.345 104 G HA2 -0.019 3.945 3.960 0.006 0.000 0.285 104 G HA3 -0.019 3.945 3.960 0.006 0.000 0.285 104 G C -0.368 174.162 174.900 -0.617 0.000 1.297 104 G CA -0.254 44.398 45.100 -0.748 0.000 0.875 104 G HN 0.746 nan 8.290 nan 0.000 0.506 105 N N -0.758 117.559 118.700 -0.638 0.000 2.021 105 N HA -0.133 4.610 4.740 0.006 0.000 0.198 105 N C 2.060 177.366 175.510 -0.340 0.000 1.041 105 N CA 2.995 55.742 53.050 -0.505 0.000 0.862 105 N CB -0.368 37.749 38.487 -0.616 0.000 1.048 105 N HN 0.424 nan 8.380 nan 0.000 0.427 106 F N 0.957 120.786 119.950 -0.202 0.000 2.069 106 F HA -0.173 4.358 4.527 0.006 0.000 0.298 106 F C 2.412 178.152 175.800 -0.100 0.000 1.113 106 F CA 1.767 59.709 58.000 -0.097 0.000 1.214 106 F CB -0.381 38.579 39.000 -0.067 0.000 0.978 106 F HN 0.163 nan 8.300 nan 0.000 0.474 107 D N 0.214 120.648 120.400 0.056 0.000 2.144 107 D HA -0.169 4.474 4.640 0.006 0.000 0.199 107 D C 2.389 178.671 176.300 -0.029 0.000 0.984 107 D CA 1.427 55.438 54.000 0.017 0.000 0.834 107 D CB -0.256 40.570 40.800 0.044 0.000 0.955 107 D HN 0.307 nan 8.370 nan 0.000 0.465 108 I N 0.871 121.337 120.570 -0.173 0.000 2.252 108 I HA -0.225 3.948 4.170 0.006 0.000 0.245 108 I C 2.474 178.578 176.117 -0.023 0.000 1.102 108 I CA 0.597 61.825 61.300 -0.120 0.000 1.385 108 I CB -0.081 37.805 38.000 -0.190 0.000 1.064 108 I HN -0.035 nan 8.210 nan 0.000 0.414 109 L N 0.033 121.232 121.223 -0.041 0.000 2.083 109 L HA -0.179 4.164 4.340 0.006 0.000 0.209 109 L C 2.767 179.658 176.870 0.034 0.000 1.083 109 L CA 1.201 56.043 54.840 0.003 0.000 0.752 109 L CB -0.530 41.523 42.059 -0.010 0.000 0.899 109 L HN 0.184 nan 8.230 nan 0.000 0.433 110 R N -0.070 120.453 120.500 0.038 0.000 2.075 110 R HA -0.142 4.201 4.340 0.006 0.000 0.232 110 R C 1.863 178.190 176.300 0.044 0.000 1.126 110 R CA 1.506 57.627 56.100 0.035 0.000 0.963 110 R CB -0.396 29.925 30.300 0.035 0.000 0.858 110 R HN 0.353 nan 8.270 nan 0.000 0.435 111 D N 0.668 121.106 120.400 0.063 0.000 2.123 111 D HA -0.150 4.493 4.640 0.006 0.000 0.196 111 D C 1.718 178.094 176.300 0.126 0.000 0.992 111 D CA 1.262 55.313 54.000 0.086 0.000 0.833 111 D CB -0.113 40.763 40.800 0.127 0.000 0.954 111 D HN 0.345 nan 8.370 nan 0.000 0.455 112 E N 0.036 120.304 120.200 0.113 0.000 2.106 112 E HA -0.095 4.258 4.350 0.006 0.000 0.192 112 E C 2.207 178.893 176.600 0.144 0.000 0.984 112 E CA 0.155 56.632 56.400 0.128 0.000 0.806 112 E CB -0.054 29.706 29.700 0.100 0.000 0.750 112 E HN 0.216 nan 8.360 nan 0.000 0.458 113 L N 1.262 122.553 121.223 0.113 0.000 2.093 113 L HA -0.183 4.160 4.340 0.006 0.000 0.208 113 L C 1.925 178.863 176.870 0.113 0.000 1.085 113 L CA 1.479 56.379 54.840 0.100 0.000 0.755 113 L CB 0.003 42.034 42.059 -0.046 0.000 0.904 113 L HN 0.049 nan 8.230 nan 0.000 0.435 114 E N -0.745 119.532 120.200 0.130 0.000 2.153 114 E HA -0.208 4.145 4.350 0.006 0.000 0.194 114 E C 2.180 179.013 176.600 0.389 0.000 0.988 114 E CA 1.412 57.942 56.400 0.217 0.000 0.811 114 E CB -0.123 29.666 29.700 0.148 0.000 0.746 114 E HN 0.415 nan 8.360 nan 0.000 0.466 115 V N 0.843 120.963 119.914 0.344 0.000 2.343 115 V HA -0.244 3.879 4.120 0.006 0.000 0.247 115 V C 2.304 178.459 176.094 0.102 0.000 1.051 115 V CA 1.372 63.815 62.300 0.239 0.000 1.036 115 V CB -0.367 31.564 31.823 0.181 0.000 0.654 115 V HN 0.149 nan 8.190 nan 0.000 0.451 116 V N -0.134 119.863 119.914 0.139 0.000 2.295 116 V HA -0.260 3.864 4.120 0.006 0.000 0.246 116 V C 2.318 178.466 176.094 0.090 0.000 1.049 116 V CA 1.952 64.326 62.300 0.122 0.000 1.024 116 V CB -0.600 31.372 31.823 0.249 0.000 0.648 116 V HN 0.442 nan 8.190 nan 0.000 0.447 117 L N 0.017 121.309 121.223 0.114 0.000 2.042 117 L HA -0.242 4.101 4.340 0.006 0.000 0.210 117 L C 2.609 179.433 176.870 -0.077 0.000 1.076 117 L CA 2.228 57.091 54.840 0.038 0.000 0.749 117 L CB -0.767 41.323 42.059 0.051 0.000 0.893 117 L HN 0.360 nan 8.230 nan 0.000 0.432 118 K N 0.330 120.715 120.400 -0.025 0.000 2.063 118 K HA -0.234 4.089 4.320 0.006 0.000 0.208 118 K C 1.658 178.122 176.600 -0.228 0.000 1.048 118 K CA 2.028 58.210 56.287 -0.174 0.000 0.928 118 K CB -0.047 32.237 32.500 -0.360 0.000 0.713 118 K HN 0.190 nan 8.250 nan 0.000 0.442 119 D N 0.221 120.529 120.400 -0.154 0.000 2.144 119 D HA -0.144 4.500 4.640 0.006 0.000 0.199 119 D C 1.806 178.036 176.300 -0.115 0.000 0.984 119 D CA 1.623 55.547 54.000 -0.126 0.000 0.834 119 D CB 0.013 40.765 40.800 -0.081 0.000 0.955 119 D HN 0.306 nan 8.370 nan 0.000 0.465 120 V N -1.896 117.952 119.914 -0.110 0.000 3.406 120 V HA 0.114 4.237 4.120 0.006 0.000 0.263 120 V C 1.861 177.868 176.094 -0.145 0.000 1.172 120 V CA 0.629 62.869 62.300 -0.100 0.000 1.140 120 V CB -0.383 31.405 31.823 -0.058 0.000 0.784 120 V HN 0.081 nan 8.190 nan 0.000 0.467 121 L N 0.474 121.539 121.223 -0.263 0.000 2.470 121 L HA 0.116 4.460 4.340 0.006 0.000 0.219 121 L C 2.761 179.449 176.870 -0.303 0.000 1.071 121 L CA 1.029 55.647 54.840 -0.371 0.000 0.850 121 L CB -0.190 41.423 42.059 -0.742 0.000 1.040 121 L HN 0.436 nan 8.230 nan 0.000 0.475 122 Q N 0.502 120.151 119.800 -0.250 0.000 2.369 122 Q HA -0.033 4.310 4.340 0.006 0.000 0.206 122 Q C 0.164 176.176 176.000 0.019 0.000 0.963 122 Q CA 0.808 56.612 55.803 0.001 0.000 0.894 122 Q CB 0.103 28.856 28.738 0.026 0.000 0.965 122 Q HN 0.416 nan 8.270 nan 0.000 0.475 123 E N 1.973 122.156 120.200 -0.027 0.000 2.155 123 E HA 0.359 4.712 4.350 0.006 0.000 0.264 123 E C -2.547 174.047 176.600 -0.011 0.000 0.886 123 E CA -2.714 53.678 56.400 -0.014 0.000 0.752 123 E CB 1.839 31.523 29.700 -0.027 0.000 1.133 123 E HN 0.128 nan 8.360 nan 0.000 0.414 124 P HA 0.072 nan 4.420 nan 0.000 0.271 124 P C -1.173 176.125 177.300 -0.003 0.000 1.216 124 P CA -0.054 63.049 63.100 0.005 0.000 0.776 124 P CB 0.628 32.337 31.700 0.014 0.000 0.881 125 K N 1.230 121.627 120.400 -0.004 0.000 2.443 125 K HA 0.275 4.599 4.320 0.006 0.000 0.252 125 K C 1.010 177.609 176.600 -0.002 0.000 0.933 125 K CA -0.480 55.803 56.287 -0.007 0.000 0.792 125 K CB 1.231 33.723 32.500 -0.013 0.000 1.185 125 K HN 0.228 nan 8.250 nan 0.000 0.425 126 T N 1.303 115.856 114.554 -0.002 0.000 2.649 126 T HA -0.205 4.148 4.350 0.006 0.000 0.268 126 T C 0.728 175.429 174.700 0.001 0.000 1.036 126 T CA 1.689 63.789 62.100 0.001 0.000 1.157 126 T CB -0.070 68.798 68.868 -0.000 0.000 0.861 126 T HN 0.580 nan 8.240 nan 0.000 0.445 127 E N 0.810 121.009 120.200 -0.001 0.000 2.359 127 E HA 0.060 4.414 4.350 0.006 0.000 0.187 127 E C -0.487 176.113 176.600 0.001 0.000 1.081 127 E CA -0.313 56.087 56.400 0.000 0.000 0.929 127 E CB 0.135 29.835 29.700 -0.001 0.000 1.086 127 E HN 0.378 nan 8.360 nan 0.000 0.462 128 D N 1.404 121.805 120.400 0.001 0.000 2.417 128 D HA 0.036 4.679 4.640 0.006 0.000 0.250 128 D C 0.630 176.934 176.300 0.007 0.000 1.166 128 D CA -0.020 53.981 54.000 0.002 0.000 0.881 128 D CB 0.537 41.338 40.800 0.001 0.000 1.164 128 D HN 0.215 nan 8.370 nan 0.000 0.467 129 I N -0.855 119.722 120.570 0.011 0.000 3.194 129 I HA 0.006 4.179 4.170 0.006 0.000 0.283 129 I C 1.488 177.618 176.117 0.022 0.000 1.199 129 I CA -0.953 60.357 61.300 0.018 0.000 1.328 129 I CB 0.410 38.425 38.000 0.025 0.000 1.404 129 I HN 0.057 nan 8.210 nan 0.000 0.618 130 V N 3.095 123.024 119.914 0.026 0.000 2.324 130 V HA -0.319 3.805 4.120 0.006 0.000 0.250 130 V C 2.795 178.908 176.094 0.032 0.000 1.060 130 V CA 2.550 64.866 62.300 0.026 0.000 1.042 130 V CB -1.343 30.494 31.823 0.023 0.000 0.650 130 V HN 1.037 nan 8.190 nan 0.000 0.450 131 A N -0.400 122.459 122.820 0.065 0.000 1.908 131 A HA -0.184 4.139 4.320 0.006 0.000 0.218 131 A C 2.378 179.950 177.584 -0.020 0.000 1.181 131 A CA 2.278 54.367 52.037 0.088 0.000 0.627 131 A CB -0.646 18.486 19.000 0.220 0.000 0.818 131 A HN 0.368 nan 8.150 nan 0.000 0.445 132 V N -0.333 119.582 119.914 0.001 0.000 2.453 132 V HA -0.255 3.868 4.120 0.006 0.000 0.247 132 V C 2.553 178.641 176.094 -0.010 0.000 1.048 132 V CA 2.031 64.320 62.300 -0.017 0.000 1.049 132 V CB -0.815 31.004 31.823 -0.008 0.000 0.672 132 V HN 0.643 nan 8.190 nan 0.000 0.457 133 Q N -0.162 119.642 119.800 0.007 0.000 2.170 133 Q HA -0.219 4.124 4.340 0.006 0.000 0.203 133 Q C 2.271 178.298 176.000 0.044 0.000 0.976 133 Q CA 1.450 57.267 55.803 0.023 0.000 0.858 133 Q CB -0.173 28.579 28.738 0.024 0.000 0.907 133 Q HN 0.601 nan 8.270 nan 0.000 0.433 134 K N 0.322 120.742 120.400 0.034 0.000 2.057 134 K HA -0.063 4.260 4.320 0.006 0.000 0.206 134 K C 2.143 178.821 176.600 0.130 0.000 1.050 134 K CA 1.041 57.393 56.287 0.109 0.000 0.935 134 K CB -0.144 32.372 32.500 0.026 0.000 0.715 134 K HN 0.125 nan 8.250 nan 0.000 0.439 135 A N 2.024 124.842 122.820 -0.004 0.000 1.902 135 A HA -0.208 4.115 4.320 0.006 0.000 0.217 135 A C 1.875 179.480 177.584 0.035 0.000 1.181 135 A CA 1.590 53.607 52.037 -0.033 0.000 0.623 135 A CB -0.286 18.658 19.000 -0.094 0.000 0.818 135 A HN 0.191 nan 8.150 nan 0.000 0.443 136 K N -0.403 120.023 120.400 0.044 0.000 2.097 136 K HA 0.030 4.353 4.320 0.006 0.000 0.205 136 K C 2.297 178.981 176.600 0.139 0.000 1.050 136 K CA 0.975 57.316 56.287 0.090 0.000 0.938 136 K CB -0.286 32.243 32.500 0.048 0.000 0.718 136 K HN 0.426 nan 8.250 nan 0.000 0.442 137 A N 1.449 124.336 122.820 0.112 0.000 1.930 137 A HA -0.143 4.180 4.320 0.006 0.000 0.217 137 A C 2.090 179.723 177.584 0.082 0.000 1.175 137 A CA 1.062 53.167 52.037 0.114 0.000 0.627 137 A CB -0.451 18.637 19.000 0.147 0.000 0.815 137 A HN 0.202 nan 8.150 nan 0.000 0.443 138 L N -1.600 119.634 121.223 0.019 0.000 2.017 138 L HA -0.132 4.211 4.340 0.006 0.000 0.208 138 L C 2.290 179.183 176.870 0.038 0.000 1.073 138 L CA 2.307 57.057 54.840 -0.149 0.000 0.745 138 L CB -0.978 40.841 42.059 -0.399 0.000 0.894 138 L HN 0.531 nan 8.230 nan 0.000 0.432 139 Y N 0.465 120.752 120.300 -0.020 0.000 2.128 139 Y HA -0.274 4.280 4.550 0.005 0.000 0.284 139 Y C 2.700 178.590 175.900 -0.016 0.000 1.154 139 Y CA 2.010 60.112 58.100 0.003 0.000 1.149 139 Y CB -0.235 38.233 38.460 0.013 0.000 0.976 139 Y HN 0.141 nan 8.280 nan 0.000 0.505 140 R N -0.186 120.316 120.500 0.004 0.000 2.091 140 R HA -0.159 4.184 4.340 0.006 0.000 0.238 140 R C 2.610 178.835 176.300 -0.125 0.000 1.136 140 R CA 1.686 57.734 56.100 -0.087 0.000 0.959 140 R CB -0.648 29.670 30.300 0.030 0.000 0.856 140 R HN 0.537 nan 8.270 nan 0.000 0.437 141 S N -0.028 115.638 115.700 -0.056 0.000 2.402 141 S HA -0.181 4.292 4.470 0.006 0.000 0.229 141 S C 2.283 176.787 174.600 -0.160 0.000 1.021 141 S CA 1.164 59.353 58.200 -0.019 0.000 0.974 141 S CB -0.570 62.690 63.200 0.100 0.000 0.800 141 S HN 0.484 nan 8.310 nan 0.000 0.484 142 c N 2.212 120.608 118.600 -0.340 0.000 2.466 142 c HA 0.249 4.822 4.570 0.006 0.000 0.278 142 c C 2.524 176.241 174.090 -0.622 0.000 1.288 142 c CA 0.451 56.259 56.329 -0.868 0.000 1.722 142 c CB -1.439 40.680 42.510 -0.651 0.000 2.017 142 c HN 0.783 nan 8.230 nan 0.000 0.488 143 I N -0.469 119.810 120.570 -0.485 0.000 3.428 143 I HA 0.135 4.308 4.170 0.006 0.000 0.286 143 I C 0.701 176.680 176.117 -0.231 0.000 1.287 143 I CA 0.722 61.802 61.300 -0.366 0.000 1.396 143 I CB -0.754 36.994 38.000 -0.421 0.000 1.062 143 I HN 0.205 nan 8.210 nan 0.000 0.471 144 N N 3.052 121.629 118.700 -0.206 0.000 2.739 144 N HA 0.031 4.774 4.740 0.006 0.000 0.266 144 N C 0.749 176.200 175.510 -0.098 0.000 1.168 144 N CA 0.193 53.172 53.050 -0.117 0.000 1.055 144 N CB 0.228 38.669 38.487 -0.076 0.000 1.393 144 N HN 0.408 nan 8.380 nan 0.000 0.514 145 E N 0.348 120.494 120.200 -0.089 0.000 2.150 145 E HA -0.102 4.251 4.350 0.006 0.000 0.193 145 E C 1.202 177.785 176.600 -0.029 0.000 0.985 145 E CA 0.771 57.134 56.400 -0.062 0.000 0.814 145 E CB 0.220 29.888 29.700 -0.053 0.000 0.752 145 E HN 0.492 nan 8.360 nan 0.000 0.466 146 S N 1.197 116.883 115.700 -0.024 0.000 2.353 146 S HA -0.199 4.275 4.470 0.006 0.000 0.222 146 S C 2.226 176.824 174.600 -0.003 0.000 1.035 146 S CA 1.165 59.359 58.200 -0.010 0.000 1.025 146 S CB -0.263 62.932 63.200 -0.009 0.000 0.902 146 S HN 0.409 nan 8.310 nan 0.000 0.440 147 A N 1.234 124.051 122.820 -0.005 0.000 1.908 147 A HA -0.087 4.236 4.320 0.006 0.000 0.218 147 A C 2.111 179.705 177.584 0.018 0.000 1.181 147 A CA 1.372 53.414 52.037 0.008 0.000 0.627 147 A CB -0.759 18.247 19.000 0.011 0.000 0.818 147 A HN 0.481 nan 8.150 nan 0.000 0.445 148 I N -0.239 120.340 120.570 0.015 0.000 2.142 148 I HA -0.230 3.943 4.170 0.006 0.000 0.240 148 I C 1.910 178.043 176.117 0.027 0.000 1.078 148 I CA 1.535 62.855 61.300 0.033 0.000 1.343 148 I CB -0.429 37.589 38.000 0.029 0.000 1.046 148 I HN 0.241 nan 8.210 nan 0.000 0.405 149 D N 0.535 120.948 120.400 0.020 0.000 2.149 149 D HA -0.141 4.503 4.640 0.006 0.000 0.198 149 D C 2.335 178.651 176.300 0.027 0.000 0.990 149 D CA 1.311 55.328 54.000 0.028 0.000 0.839 149 D CB -0.171 40.641 40.800 0.020 0.000 0.948 149 D HN 0.210 nan 8.370 nan 0.000 0.460 150 S N 0.243 115.954 115.700 0.018 0.000 2.442 150 S HA -0.078 4.395 4.470 0.006 0.000 0.236 150 S C 1.754 176.363 174.600 0.014 0.000 1.007 150 S CA 0.617 58.826 58.200 0.016 0.000 0.965 150 S CB 0.055 63.262 63.200 0.013 0.000 0.773 150 S HN 0.270 nan 8.310 nan 0.000 0.504 151 R N 0.729 121.234 120.500 0.009 0.000 2.276 151 R HA 0.228 4.571 4.340 0.006 0.000 0.196 151 R C 1.748 178.036 176.300 -0.019 0.000 0.961 151 R CA 0.391 56.484 56.100 -0.012 0.000 1.024 151 R CB -0.271 30.013 30.300 -0.028 0.000 0.940 151 R HN 0.407 nan 8.270 nan 0.000 0.480 152 G N 0.283 109.096 108.800 0.022 0.000 2.611 152 G HA2 -0.378 3.586 3.960 0.006 0.000 0.301 152 G HA3 -0.378 3.586 3.960 0.006 0.000 0.301 152 G C 0.687 175.592 174.900 0.008 0.000 1.233 152 G CA 0.061 45.212 45.100 0.085 0.000 0.993 152 G HN 0.429 nan 8.290 nan 0.000 0.553 153 G N -0.327 108.480 108.800 0.010 0.000 3.088 153 G HA2 0.383 4.346 3.960 0.006 0.000 0.217 153 G HA3 0.383 4.346 3.960 0.006 0.000 0.217 153 G C 1.097 175.803 174.900 -0.323 0.000 1.159 153 G CA 1.417 46.277 45.100 -0.399 0.000 0.760 153 G HN 0.931 nan 8.290 nan 0.000 0.550 154 E N 1.975 122.070 120.200 -0.176 0.000 2.108 154 E HA -0.174 4.179 4.350 0.006 0.000 0.203 154 E C -0.082 176.380 176.600 -0.231 0.000 1.022 154 E CA 2.033 58.346 56.400 -0.146 0.000 0.823 154 E CB -0.667 28.984 29.700 -0.082 0.000 0.744 154 E HN 0.370 nan 8.360 nan 0.000 0.456 155 P HA -0.115 nan 4.420 nan 0.000 0.218 155 P C 1.525 178.473 177.300 -0.588 0.000 1.149 155 P CA 0.917 63.716 63.100 -0.501 0.000 0.817 155 P CB -0.064 31.136 31.700 -0.832 0.000 0.785 156 L N -0.840 119.943 121.223 -0.734 0.000 2.027 156 L HA -0.127 4.216 4.340 0.006 0.000 0.206 156 L C 2.198 178.949 176.870 -0.198 0.000 1.074 156 L CA 1.574 56.133 54.840 -0.468 0.000 0.745 156 L CB -0.790 40.966 42.059 -0.506 0.000 0.898 156 L HN -0.054 nan 8.230 nan 0.000 0.433 157 L N -0.144 120.982 121.223 -0.162 0.000 2.043 157 L HA -0.305 4.038 4.340 0.006 0.000 0.212 157 L C 2.616 179.485 176.870 -0.001 0.000 1.075 157 L CA 1.605 56.422 54.840 -0.039 0.000 0.752 157 L CB -0.692 41.355 42.059 -0.020 0.000 0.891 157 L HN 0.274 nan 8.230 nan 0.000 0.432 158 K N -0.245 120.140 120.400 -0.025 0.000 2.147 158 K HA -0.190 4.133 4.320 0.006 0.000 0.205 158 K C 2.045 178.683 176.600 0.063 0.000 1.049 158 K CA 1.095 57.396 56.287 0.024 0.000 0.936 158 K CB -0.199 32.311 32.500 0.017 0.000 0.722 158 K HN 0.107 nan 8.250 nan 0.000 0.446 159 L N 0.938 122.194 121.223 0.055 0.000 2.072 159 L HA -0.098 4.245 4.340 0.006 0.000 0.205 159 L C 1.790 178.709 176.870 0.082 0.000 1.079 159 L CA 1.204 56.103 54.840 0.098 0.000 0.752 159 L CB -0.365 41.757 42.059 0.104 0.000 0.906 159 L HN 0.005 nan 8.230 nan 0.000 0.436 160 L N 0.320 121.578 121.223 0.058 0.000 2.034 160 L HA -0.223 4.120 4.340 0.006 0.000 0.217 160 L C -0.238 176.692 176.870 0.100 0.000 1.077 160 L CA 2.410 57.299 54.840 0.081 0.000 0.769 160 L CB -2.489 39.635 42.059 0.108 0.000 0.890 160 L HN 0.214 nan 8.230 nan 0.000 0.435 161 P HA -0.138 nan 4.420 nan 0.000 0.219 161 P C 1.115 178.487 177.300 0.119 0.000 1.146 161 P CA 1.260 64.487 63.100 0.210 0.000 0.808 161 P CB 0.059 31.890 31.700 0.218 0.000 0.779 162 D N -0.731 119.734 120.400 0.109 0.000 2.347 162 D HA -0.049 4.594 4.640 0.006 0.000 0.215 162 D C 1.153 177.518 176.300 0.108 0.000 0.976 162 D CA 0.533 54.598 54.000 0.107 0.000 0.884 162 D CB -0.307 40.623 40.800 0.217 0.000 0.915 162 D HN 0.229 nan 8.370 nan 0.000 0.526 163 I N -4.288 116.351 120.570 0.115 0.000 3.856 163 I HA 0.261 4.434 4.170 0.006 0.000 0.330 163 I C -0.474 175.845 176.117 0.338 0.000 1.546 163 I CA -0.619 60.812 61.300 0.218 0.000 1.132 163 I CB -0.235 37.883 38.000 0.196 0.000 1.157 163 I HN -0.181 nan 8.210 nan 0.000 0.440 164 Y N 1.286 121.657 120.300 0.117 0.000 4.569 164 Y HA -0.171 4.382 4.550 0.005 0.000 0.237 164 Y C 1.403 177.118 175.900 -0.309 0.000 1.090 164 Y CA 0.978 59.090 58.100 0.020 0.000 2.052 164 Y CB -1.855 36.856 38.460 0.419 0.000 1.621 164 Y HN 0.787 nan 8.280 nan 0.000 0.682 165 G N -0.752 107.930 108.800 -0.197 0.000 2.697 165 G HA2 -0.197 3.766 3.960 0.006 0.000 0.240 165 G HA3 -0.197 3.766 3.960 0.006 0.000 0.240 165 G C -0.814 174.244 174.900 0.264 0.000 1.346 165 G CA -0.091 44.980 45.100 -0.048 0.000 0.887 165 G HN 0.832 nan 8.290 nan 0.000 0.569 166 W N 1.880 123.207 121.300 0.045 0.000 2.517 166 W HA 0.633 5.296 4.660 0.005 0.000 0.301 166 W C -1.855 174.613 176.519 -0.085 0.000 1.002 166 W CA -2.304 55.026 57.345 -0.025 0.000 1.415 166 W CB 1.095 30.564 29.460 0.015 0.000 1.275 166 W HN 0.399 nan 8.180 nan 0.000 0.413 167 P HA -0.331 nan 4.420 nan 0.000 0.222 167 P C 1.654 178.738 177.300 -0.360 0.000 1.159 167 P CA 3.476 66.272 63.100 -0.506 0.000 0.920 167 P CB 0.032 31.198 31.700 -0.890 0.000 0.793 168 V N -1.899 117.632 119.914 -0.637 0.000 2.453 168 V HA -0.191 3.932 4.120 0.006 0.000 0.252 168 V C 1.913 177.746 176.094 -0.435 0.000 1.068 168 V CA 2.116 64.049 62.300 -0.612 0.000 1.070 168 V CB -2.104 29.140 31.823 -0.966 0.000 0.664 168 V HN 0.144 nan 8.190 nan 0.000 0.461 169 A N -0.730 121.858 122.820 -0.386 0.000 2.610 169 A HA 0.516 4.839 4.320 0.006 0.000 0.286 169 A C 0.664 178.272 177.584 0.041 0.000 1.306 169 A CA 0.108 52.073 52.037 -0.120 0.000 0.942 169 A CB -0.163 18.844 19.000 0.012 0.000 1.112 169 A HN 0.469 nan 8.150 nan 0.000 0.527 170 T N 0.634 115.224 114.554 0.060 0.000 2.886 170 T HA 0.375 4.728 4.350 0.006 0.000 0.292 170 T C -0.710 174.087 174.700 0.161 0.000 1.012 170 T CA -0.525 61.688 62.100 0.189 0.000 0.982 170 T CB 1.638 70.740 68.868 0.390 0.000 1.018 170 T HN 0.450 nan 8.240 nan 0.000 0.451 171 E N 2.432 122.719 120.200 0.145 0.000 2.331 171 E HA 0.232 4.586 4.350 0.006 0.000 0.272 171 E C -0.040 176.641 176.600 0.136 0.000 1.036 171 E CA -0.780 55.683 56.400 0.105 0.000 0.864 171 E CB 0.349 30.090 29.700 0.069 0.000 1.035 171 E HN 0.492 nan 8.360 nan 0.000 0.408 172 N N 1.999 120.768 118.700 0.115 0.000 2.678 172 N HA -0.237 4.507 4.740 0.006 0.000 0.268 172 N C -0.137 175.473 175.510 0.167 0.000 1.010 172 N CA 0.552 53.669 53.050 0.112 0.000 0.784 172 N CB -0.730 37.785 38.487 0.048 0.000 0.905 172 N HN 0.723 nan 8.380 nan 0.000 0.552 173 W N 1.087 122.442 121.300 0.091 0.000 2.358 173 W HA -0.157 4.506 4.660 0.005 0.000 0.303 173 W C 1.849 178.469 176.519 0.167 0.000 1.208 173 W CA 1.826 59.286 57.345 0.192 0.000 1.274 173 W CB 0.061 29.600 29.460 0.133 0.000 1.138 173 W HN 0.294 nan 8.180 nan 0.000 0.515 174 E N -0.029 120.317 120.200 0.243 0.000 2.085 174 E HA -0.286 4.067 4.350 0.006 0.000 0.194 174 E C 2.202 178.735 176.600 -0.112 0.000 0.994 174 E CA 1.946 58.372 56.400 0.044 0.000 0.801 174 E CB -0.562 29.224 29.700 0.142 0.000 0.743 174 E HN 0.327 nan 8.360 nan 0.000 0.453 175 Q N 0.461 120.219 119.800 -0.070 0.000 2.049 175 Q HA -0.078 4.265 4.340 0.006 0.000 0.198 175 Q C 2.085 177.975 176.000 -0.184 0.000 0.971 175 Q CA 1.200 56.947 55.803 -0.094 0.000 0.833 175 Q CB -0.164 28.541 28.738 -0.055 0.000 0.896 175 Q HN 0.279 nan 8.270 nan 0.000 0.434 176 K N -0.422 119.819 120.400 -0.266 0.000 2.001 176 K HA -0.136 4.187 4.320 0.006 0.000 0.208 176 K C 1.917 178.115 176.600 -0.671 0.000 1.048 176 K CA 1.630 57.618 56.287 -0.498 0.000 0.932 176 K CB -0.063 32.054 32.500 -0.637 0.000 0.715 176 K HN 0.197 nan 8.250 nan 0.000 0.437 177 Y N -1.176 118.833 120.300 -0.485 0.000 2.609 177 Y HA 0.196 4.749 4.550 0.005 0.000 0.281 177 Y C 2.424 178.048 175.900 -0.460 0.000 1.132 177 Y CA 0.142 57.972 58.100 -0.449 0.000 1.264 177 Y CB -0.636 37.472 38.460 -0.587 0.000 1.325 177 Y HN 0.069 nan 8.280 nan 0.000 0.514 178 G N 0.739 109.084 108.800 -0.759 0.000 2.507 178 G HA2 -0.315 3.648 3.960 0.006 0.000 0.221 178 G HA3 -0.315 3.648 3.960 0.006 0.000 0.221 178 G C 1.836 176.721 174.900 -0.025 0.000 1.119 178 G CA 1.286 46.146 45.100 -0.399 0.000 0.751 178 G HN 0.454 nan 8.290 nan 0.000 0.574 179 A N 1.071 123.863 122.820 -0.047 0.000 1.865 179 A HA -0.032 4.292 4.320 0.006 0.000 0.217 179 A C 2.620 180.253 177.584 0.081 0.000 1.191 179 A CA 2.679 54.725 52.037 0.015 0.000 0.623 179 A CB -0.644 18.342 19.000 -0.023 0.000 0.826 179 A HN 0.899 nan 8.150 nan 0.000 0.444 180 S N -3.302 112.469 115.700 0.118 0.000 2.556 180 S HA 0.098 4.572 4.470 0.006 0.000 0.216 180 S C 0.121 174.861 174.600 0.234 0.000 0.970 180 S CA -0.467 57.828 58.200 0.160 0.000 0.912 180 S CB -0.483 62.808 63.200 0.152 0.000 0.790 180 S HN 0.524 nan 8.310 nan 0.000 0.504 181 W N 2.303 123.629 121.300 0.044 0.000 2.181 181 W HA 0.511 5.173 4.660 0.003 0.000 0.335 181 W C -0.086 176.401 176.519 -0.053 0.000 1.310 181 W CA 0.778 58.090 57.345 -0.054 0.000 1.226 181 W CB 0.718 30.175 29.460 -0.005 0.000 1.155 181 W HN 0.069 nan 8.180 nan 0.000 0.565 182 T N 4.086 118.197 114.554 -0.738 0.000 3.041 182 T HA 0.400 4.753 4.350 0.006 0.000 0.321 182 T C 0.651 174.572 174.700 -1.298 0.000 1.184 182 T CA 0.013 61.724 62.100 -0.648 0.000 1.050 182 T CB 1.131 69.831 68.868 -0.280 0.000 1.159 182 T HN 0.611 nan 8.240 nan 0.000 0.469 183 A N 3.124 125.373 122.820 -0.951 0.000 1.892 183 A HA -0.115 4.208 4.320 0.006 0.000 0.218 183 A C 2.027 179.403 177.584 -0.347 0.000 1.188 183 A CA 2.193 53.871 52.037 -0.599 0.000 0.631 183 A CB -0.468 18.535 19.000 0.005 0.000 0.822 183 A HN 0.918 nan 8.150 nan 0.000 0.447 184 E N 0.530 120.554 120.200 -0.294 0.000 2.110 184 E HA -0.228 4.125 4.350 0.006 0.000 0.193 184 E C 1.740 178.293 176.600 -0.079 0.000 0.988 184 E CA 1.532 57.783 56.400 -0.249 0.000 0.804 184 E CB -0.421 28.977 29.700 -0.504 0.000 0.745 184 E HN 0.701 nan 8.360 nan 0.000 0.458 185 K N 0.740 120.992 120.400 -0.247 0.000 2.044 185 K HA 0.105 4.429 4.320 0.006 0.000 0.204 185 K C 2.377 178.905 176.600 -0.121 0.000 1.049 185 K CA 0.924 57.126 56.287 -0.142 0.000 0.945 185 K CB -0.137 32.280 32.500 -0.138 0.000 0.724 185 K HN 0.142 nan 8.250 nan 0.000 0.440 186 A N 1.602 124.115 122.820 -0.512 0.000 1.902 186 A HA -0.146 4.178 4.320 0.006 0.000 0.217 186 A C 2.120 179.697 177.584 -0.012 0.000 1.181 186 A CA 1.337 53.154 52.037 -0.365 0.000 0.623 186 A CB -0.628 17.925 19.000 -0.745 0.000 0.818 186 A HN 0.165 nan 8.150 nan 0.000 0.443 187 I N -0.361 120.192 120.570 -0.028 0.000 2.252 187 I HA -0.249 3.924 4.170 0.006 0.000 0.245 187 I C 2.977 179.241 176.117 0.244 0.000 1.102 187 I CA 0.988 62.354 61.300 0.110 0.000 1.385 187 I CB -0.360 37.661 38.000 0.035 0.000 1.064 187 I HN 0.356 nan 8.210 nan 0.000 0.414 188 A N 0.027 123.031 122.820 0.307 0.000 1.902 188 A HA -0.241 4.082 4.320 0.006 0.000 0.217 188 A C 2.305 179.952 177.584 0.106 0.000 1.181 188 A CA 1.396 53.556 52.037 0.206 0.000 0.623 188 A CB -0.528 18.548 19.000 0.127 0.000 0.818 188 A HN 0.355 nan 8.150 nan 0.000 0.443 189 Q N -0.265 119.618 119.800 0.139 0.000 2.030 189 Q HA -0.154 4.189 4.340 0.006 0.000 0.204 189 Q C 2.202 178.282 176.000 0.134 0.000 0.986 189 Q CA 1.631 57.523 55.803 0.149 0.000 0.843 189 Q CB -0.528 28.379 28.738 0.281 0.000 0.904 189 Q HN 0.726 nan 8.270 nan 0.000 0.420 190 L N 1.078 122.387 121.223 0.144 0.000 2.046 190 L HA -0.206 4.137 4.340 0.006 0.000 0.208 190 L C 2.431 179.296 176.870 -0.008 0.000 1.077 190 L CA 1.236 56.110 54.840 0.057 0.000 0.747 190 L CB -0.549 41.514 42.059 0.007 0.000 0.896 190 L HN 0.327 nan 8.230 nan 0.000 0.432 191 N N 0.002 118.724 118.700 0.036 0.000 2.039 191 N HA -0.198 4.545 4.740 0.006 0.000 0.193 191 N C 1.975 177.467 175.510 -0.031 0.000 1.044 191 N CA 2.172 55.235 53.050 0.022 0.000 0.847 191 N CB -0.051 38.488 38.487 0.086 0.000 1.030 191 N HN 0.353 nan 8.380 nan 0.000 0.422 192 S N -0.367 115.304 115.700 -0.048 0.000 2.436 192 S HA 0.073 4.546 4.470 0.006 0.000 0.228 192 S C 1.579 176.084 174.600 -0.159 0.000 1.014 192 S CA 0.434 58.578 58.200 -0.094 0.000 0.950 192 S CB 0.075 63.220 63.200 -0.091 0.000 0.784 192 S HN 0.235 nan 8.310 nan 0.000 0.504 193 K N 0.162 120.418 120.400 -0.241 0.000 2.276 193 K HA 0.216 4.539 4.320 0.006 0.000 0.198 193 K C 0.557 176.751 176.600 -0.676 0.000 1.052 193 K CA 0.734 56.716 56.287 -0.508 0.000 0.984 193 K CB -0.274 31.782 32.500 -0.740 0.000 0.836 193 K HN 0.575 nan 8.250 nan 0.000 0.490 194 Y N -0.139 120.057 120.300 -0.173 0.000 2.500 194 Y HA 0.285 4.838 4.550 0.005 0.000 0.246 194 Y C 1.232 176.987 175.900 -0.242 0.000 1.146 194 Y CA -0.012 57.929 58.100 -0.265 0.000 1.230 194 Y CB 0.725 38.766 38.460 -0.697 0.000 1.214 194 Y HN 0.244 nan 8.280 nan 0.000 0.526 195 G N 0.473 109.232 108.800 -0.068 0.000 2.175 195 G HA2 -0.297 3.666 3.960 0.006 0.000 0.265 195 G HA3 -0.297 3.666 3.960 0.006 0.000 0.265 195 G C 0.346 175.211 174.900 -0.058 0.000 0.979 195 G CA 0.063 45.136 45.100 -0.045 0.000 0.663 195 G HN 0.075 nan 8.290 nan 0.000 0.533 196 K N 1.102 121.418 120.400 -0.140 0.000 2.273 196 K HA 0.264 4.587 4.320 0.006 0.000 0.287 196 K C 0.260 176.838 176.600 -0.038 0.000 1.089 196 K CA -0.190 56.021 56.287 -0.126 0.000 0.909 196 K CB 0.625 32.939 32.500 -0.310 0.000 1.123 196 K HN 0.194 nan 8.250 nan 0.000 0.473 197 K N 3.362 123.768 120.400 0.009 0.000 2.268 197 K HA 0.217 4.540 4.320 0.006 0.000 0.276 197 K C 0.125 176.760 176.600 0.059 0.000 1.080 197 K CA -0.585 55.738 56.287 0.060 0.000 0.910 197 K CB 0.654 33.196 32.500 0.070 0.000 1.163 197 K HN 0.305 nan 8.250 nan 0.000 0.465 198 V N 0.369 120.327 119.914 0.073 0.000 2.769 198 V HA 0.449 4.573 4.120 0.006 0.000 0.312 198 V C 1.161 177.293 176.094 0.063 0.000 1.061 198 V CA -1.022 61.316 62.300 0.062 0.000 0.931 198 V CB 1.321 33.180 31.823 0.061 0.000 1.010 198 V HN 0.830 nan 8.190 nan 0.000 0.433 199 L N 1.002 122.261 121.223 0.059 0.000 3.530 199 L HA -0.242 4.102 4.340 0.006 0.000 0.357 199 L C 0.349 177.298 176.870 0.131 0.000 2.051 199 L CA 2.089 56.969 54.840 0.066 0.000 2.804 199 L CB -1.103 40.939 42.059 -0.028 0.000 1.640 199 L HN 0.693 nan 8.230 nan 0.000 0.757 200 I N 0.379 121.003 120.570 0.091 0.000 2.500 200 I HA 0.249 4.422 4.170 0.006 0.000 0.286 200 I C -0.209 176.063 176.117 0.257 0.000 1.063 200 I CA -0.370 61.039 61.300 0.181 0.000 1.062 200 I CB 1.687 39.713 38.000 0.043 0.000 1.223 200 I HN 0.084 nan 8.210 nan 0.000 0.435 201 N N 7.203 126.052 118.700 0.248 0.000 2.439 201 N HA 0.225 4.969 4.740 0.006 0.000 0.243 201 N C -1.337 174.406 175.510 0.388 0.000 1.088 201 N CA -0.320 52.900 53.050 0.285 0.000 0.940 201 N CB 0.693 39.313 38.487 0.220 0.000 1.180 201 N HN 0.387 nan 8.380 nan 0.000 0.505 202 L N 5.995 127.446 121.223 0.379 0.000 2.287 202 L HA 0.685 5.028 4.340 0.006 0.000 0.287 202 L C -1.358 175.667 176.870 0.258 0.000 1.022 202 L CA -0.806 54.194 54.840 0.267 0.000 0.814 202 L CB -0.322 41.876 42.059 0.233 0.000 1.217 202 L HN 0.421 nan 8.230 nan 0.000 0.420 203 F N 3.334 123.318 119.950 0.057 0.000 2.645 203 F HA 0.756 5.287 4.527 0.006 0.000 0.310 203 F C -1.276 174.545 175.800 0.035 0.000 1.102 203 F CA -1.257 56.751 58.000 0.014 0.000 0.952 203 F CB 1.227 40.222 39.000 -0.009 0.000 1.326 203 F HN 0.065 nan 8.300 nan 0.000 0.456 204 V N 2.201 122.205 119.914 0.149 0.000 2.383 204 V HA 0.789 4.912 4.120 0.006 0.000 0.275 204 V C 0.326 176.546 176.094 0.209 0.000 1.036 204 V CA 0.363 62.714 62.300 0.086 0.000 0.889 204 V CB 0.515 32.338 31.823 0.001 0.000 0.985 204 V HN 1.178 nan 8.190 nan 0.000 0.459 205 G N 2.958 111.897 108.800 0.232 0.000 2.866 205 G HA2 0.530 4.494 3.960 0.006 0.000 0.289 205 G HA3 0.530 4.494 3.960 0.006 0.000 0.289 205 G C -0.620 174.503 174.900 0.372 0.000 1.396 205 G CA -0.544 44.712 45.100 0.261 0.000 0.848 205 G HN 0.460 nan 8.290 nan 0.000 0.515 206 T N 1.207 115.918 114.554 0.262 0.000 2.901 206 T HA 0.236 4.589 4.350 0.006 0.000 0.301 206 T C -0.168 174.683 174.700 0.253 0.000 1.012 206 T CA 0.169 62.345 62.100 0.127 0.000 1.135 206 T CB 1.065 69.954 68.868 0.034 0.000 0.936 206 T HN 0.414 nan 8.240 nan 0.000 0.539 207 D N 2.184 122.677 120.400 0.155 0.000 2.346 207 D HA 0.043 4.686 4.640 0.006 0.000 0.260 207 D C 0.561 177.014 176.300 0.255 0.000 1.252 207 D CA -0.380 53.742 54.000 0.204 0.000 0.895 207 D CB 0.818 41.684 40.800 0.109 0.000 1.097 207 D HN 0.403 nan 8.370 nan 0.000 0.489 208 D N 2.946 123.600 120.400 0.423 0.000 2.158 208 D HA -0.182 4.462 4.640 0.006 0.000 0.197 208 D C 1.238 177.634 176.300 0.160 0.000 0.995 208 D CA 1.298 55.548 54.000 0.418 0.000 0.846 208 D CB 0.182 41.319 40.800 0.562 0.000 0.941 208 D HN 0.456 nan 8.370 nan 0.000 0.456 209 K N -0.654 119.734 120.400 -0.020 0.000 2.404 209 K HA 0.102 4.426 4.320 0.006 0.000 0.194 209 K C 0.235 176.821 176.600 -0.023 0.000 1.023 209 K CA 0.000 56.199 56.287 -0.147 0.000 1.094 209 K CB 0.447 32.709 32.500 -0.398 0.000 0.841 209 K HN -0.042 nan 8.250 nan 0.000 0.523 210 N N 0.331 119.051 118.700 0.033 0.000 2.751 210 N HA 0.089 4.832 4.740 0.006 0.000 0.238 210 N C -0.215 175.299 175.510 0.007 0.000 1.351 210 N CA 0.013 53.072 53.050 0.016 0.000 0.751 210 N CB 0.970 39.463 38.487 0.009 0.000 1.342 210 N HN -0.224 nan 8.380 nan 0.000 0.540 211 S N -0.134 115.572 115.700 0.011 0.000 2.421 211 S HA -0.187 4.287 4.470 0.006 0.000 0.239 211 S C 1.876 176.429 174.600 -0.079 0.000 1.054 211 S CA 2.019 60.207 58.200 -0.021 0.000 1.035 211 S CB -0.118 63.071 63.200 -0.019 0.000 0.840 211 S HN 0.602 nan 8.310 nan 0.000 0.475 212 V N -0.765 119.106 119.914 -0.071 0.000 3.306 212 V HA 0.185 4.309 4.120 0.006 0.000 0.264 212 V C 0.364 176.374 176.094 -0.140 0.000 1.149 212 V CA 0.220 62.464 62.300 -0.093 0.000 1.143 212 V CB -0.469 31.323 31.823 -0.052 0.000 0.767 212 V HN 0.276 nan 8.190 nan 0.000 0.476 213 N N -0.229 118.388 118.700 -0.138 0.000 2.432 213 N HA 0.484 5.227 4.740 0.006 0.000 0.292 213 N C -1.238 174.135 175.510 -0.228 0.000 1.193 213 N CA -0.450 52.517 53.050 -0.138 0.000 0.878 213 N CB 1.437 39.904 38.487 -0.033 0.000 1.252 213 N HN 0.458 nan 8.380 nan 0.000 0.520 214 H N -1.069 118.017 119.070 0.028 0.000 2.533 214 H HA 0.648 5.207 4.556 0.005 0.000 0.343 214 H C -0.311 175.028 175.328 0.019 0.000 1.160 214 H CA -0.730 55.343 56.048 0.042 0.000 1.218 214 H CB 1.595 31.371 29.762 0.024 0.000 1.566 214 H HN 0.245 nan 8.280 nan 0.000 0.522 215 V N -0.216 119.790 119.914 0.154 0.000 3.147 215 V HA 0.425 4.549 4.120 0.006 0.000 0.306 215 V C -0.270 175.798 176.094 -0.043 0.000 1.209 215 V CA -1.169 61.124 62.300 -0.012 0.000 1.023 215 V CB 1.777 33.506 31.823 -0.157 0.000 1.059 215 V HN 0.633 nan 8.190 nan 0.000 0.435 216 I N 1.967 122.452 120.570 -0.143 0.000 2.529 216 I HA 0.407 4.580 4.170 0.006 0.000 0.284 216 I C -0.259 175.633 176.117 -0.376 0.000 1.082 216 I CA 0.213 61.408 61.300 -0.176 0.000 1.406 216 I CB 0.533 38.447 38.000 -0.143 0.000 1.405 216 I HN 0.726 nan 8.210 nan 0.000 0.548 217 H N 5.567 124.267 119.070 -0.618 0.000 2.622 217 H HA 0.627 5.187 4.556 0.006 0.000 0.363 217 H C -0.742 174.231 175.328 -0.591 0.000 1.151 217 H CA -0.473 55.078 56.048 -0.828 0.000 1.184 217 H CB 1.985 30.843 29.762 -1.507 0.000 1.643 217 H HN 0.362 nan 8.280 nan 0.000 0.531 218 I N 1.999 122.409 120.570 -0.267 0.000 2.466 218 I HA 0.264 4.437 4.170 0.006 0.000 0.289 218 I C -0.855 175.295 176.117 0.054 0.000 1.026 218 I CA -0.434 60.851 61.300 -0.026 0.000 1.078 218 I CB 1.683 39.673 38.000 -0.018 0.000 1.249 218 I HN 0.549 nan 8.210 nan 0.000 0.429 219 D N 3.957 124.484 120.400 0.212 0.000 2.579 219 D HA 0.248 4.891 4.640 0.006 0.000 0.257 219 D C -1.120 175.250 176.300 0.116 0.000 1.176 219 D CA -0.408 53.735 54.000 0.238 0.000 0.914 219 D CB 1.838 42.899 40.800 0.435 0.000 1.431 219 D HN 0.512 nan 8.370 nan 0.000 0.454 220 Q N 0.651 120.405 119.800 -0.078 0.000 2.373 220 Q HA 0.453 4.797 4.340 0.006 0.000 0.255 220 Q C -2.253 173.589 176.000 -0.263 0.000 0.980 220 Q CA -1.267 54.224 55.803 -0.522 0.000 0.882 220 Q CB 0.986 29.225 28.738 -0.831 0.000 1.249 220 Q HN 0.158 nan 8.270 nan 0.000 0.438 221 P HA 0.200 nan 4.420 nan 0.000 0.278 221 P C -0.856 176.387 177.300 -0.094 0.000 1.258 221 P CA -0.510 62.533 63.100 -0.095 0.000 0.811 221 P CB 1.116 32.797 31.700 -0.030 0.000 1.063 222 R N 0.249 120.726 120.500 -0.038 0.000 2.637 222 R HA 0.461 4.804 4.340 0.006 0.000 0.269 222 R C 0.228 176.533 176.300 0.008 0.000 1.089 222 R CA -0.581 55.509 56.100 -0.017 0.000 1.177 222 R CB 0.004 30.305 30.300 0.001 0.000 1.091 222 R HN 0.444 nan 8.270 nan 0.000 0.540 223 L N -0.641 120.605 121.223 0.038 0.000 2.332 223 L HA 0.348 4.691 4.340 0.006 0.000 0.269 223 L C 1.680 178.631 176.870 0.136 0.000 1.016 223 L CA -0.458 54.440 54.840 0.097 0.000 0.809 223 L CB 1.411 43.556 42.059 0.144 0.000 1.280 223 L HN 0.815 nan 8.230 nan 0.000 0.447 224 G N 0.911 109.846 108.800 0.224 0.000 2.422 224 G HA2 0.021 3.984 3.960 0.006 0.000 0.218 224 G HA3 0.021 3.984 3.960 0.006 0.000 0.218 224 G C 0.590 175.456 174.900 -0.056 0.000 1.140 224 G CA 0.248 45.449 45.100 0.170 0.000 0.775 224 G HN 0.248 nan 8.290 nan 0.000 0.545 225 L N 0.040 121.173 121.223 -0.150 0.000 2.416 225 L HA 0.269 4.613 4.340 0.006 0.000 0.262 225 L C -1.122 175.571 176.870 -0.294 0.000 1.093 225 L CA -1.984 52.614 54.840 -0.403 0.000 0.801 225 L CB 1.656 43.297 42.059 -0.697 0.000 1.191 225 L HN -0.102 nan 8.230 nan 0.000 0.459 226 P HA -0.140 nan 4.420 nan 0.000 0.216 226 P C -0.212 177.033 177.300 -0.091 0.000 1.157 226 P CA 1.106 64.005 63.100 -0.334 0.000 0.880 226 P CB 0.198 31.583 31.700 -0.525 0.000 0.791 227 S N -3.249 112.449 115.700 -0.003 0.000 2.638 227 S HA 0.359 4.832 4.470 0.006 0.000 0.274 227 S C 0.981 175.714 174.600 0.223 0.000 1.157 227 S CA -0.930 57.349 58.200 0.131 0.000 0.826 227 S CB 1.518 64.809 63.200 0.152 0.000 1.139 227 S HN 0.093 nan 8.310 nan 0.000 0.474 228 R N 0.535 121.142 120.500 0.178 0.000 2.159 228 R HA -0.122 4.222 4.340 0.006 0.000 0.237 228 R C 0.508 176.920 176.300 0.187 0.000 1.131 228 R CA 2.181 58.411 56.100 0.217 0.000 0.982 228 R CB -1.239 29.113 30.300 0.086 0.000 0.868 228 R HN 0.703 nan 8.270 nan 0.000 0.453 229 D N 0.686 121.101 120.400 0.024 0.000 2.123 229 D HA -0.185 4.458 4.640 0.006 0.000 0.196 229 D C 1.407 177.314 176.300 -0.655 0.000 0.992 229 D CA 1.415 55.276 54.000 -0.233 0.000 0.833 229 D CB -0.362 40.276 40.800 -0.271 0.000 0.954 229 D HN 0.241 nan 8.370 nan 0.000 0.455 230 Y N -0.277 119.562 120.300 -0.769 0.000 2.298 230 Y HA -0.238 4.315 4.550 0.005 0.000 0.287 230 Y C 1.540 177.095 175.900 -0.576 0.000 1.164 230 Y CA 1.018 58.578 58.100 -0.900 0.000 1.229 230 Y CB -0.645 37.460 38.460 -0.592 0.000 0.977 230 Y HN 0.170 nan 8.280 nan 0.000 0.538 231 Y N -0.226 120.033 120.300 -0.068 0.000 2.639 231 Y HA -0.141 4.413 4.550 0.006 0.000 0.297 231 Y C 1.920 177.831 175.900 0.018 0.000 1.151 231 Y CA 0.763 58.875 58.100 0.020 0.000 1.335 231 Y CB -0.529 37.957 38.460 0.044 0.000 0.994 231 Y HN 0.250 nan 8.280 nan 0.000 0.548 232 E N -1.357 118.865 120.200 0.037 0.000 2.106 232 E HA -0.165 4.188 4.350 0.006 0.000 0.192 232 E C 1.061 177.725 176.600 0.108 0.000 0.984 232 E CA 1.186 57.635 56.400 0.081 0.000 0.806 232 E CB -0.174 29.580 29.700 0.091 0.000 0.750 232 E HN 0.397 nan 8.360 nan 0.000 0.458 233 c N 1.190 119.852 118.600 0.103 0.000 4.358 233 c HA -0.143 4.430 4.570 0.006 0.000 0.287 233 c C 0.765 174.932 174.090 0.128 0.000 1.414 233 c CA 0.794 57.199 56.329 0.127 0.000 1.949 233 c CB -2.985 39.594 42.510 0.116 0.000 1.274 233 c HN 0.601 nan 8.230 nan 0.000 0.793 234 T N -3.020 111.620 114.554 0.144 0.000 2.926 234 T HA 0.724 5.077 4.350 0.006 0.000 0.289 234 T C 1.040 175.755 174.700 0.025 0.000 1.054 234 T CA 0.496 62.644 62.100 0.079 0.000 1.015 234 T CB 1.865 70.771 68.868 0.064 0.000 1.167 234 T HN 2.098 nan 8.240 nan 0.000 0.526 235 G N 1.750 110.535 108.800 -0.025 0.000 2.665 235 G HA2 -0.374 3.590 3.960 0.006 0.000 0.326 235 G HA3 -0.374 3.590 3.960 0.006 0.000 0.326 235 G C 1.130 175.922 174.900 -0.180 0.000 1.231 235 G CA 1.117 46.159 45.100 -0.096 0.000 0.992 235 G HN 1.798 nan 8.290 nan 0.000 0.549 236 I N -2.043 118.310 120.570 -0.361 0.000 2.916 236 I HA 0.122 4.295 4.170 0.006 0.000 0.267 236 I C 2.079 177.852 176.117 -0.574 0.000 1.263 236 I CA 1.795 62.794 61.300 -0.501 0.000 1.471 236 I CB -0.305 37.296 38.000 -0.665 0.000 1.089 236 I HN 0.383 nan 8.210 nan 0.000 0.468 237 Y N 0.920 121.113 120.300 -0.177 0.000 2.444 237 Y HA 0.248 4.802 4.550 0.006 0.000 0.249 237 Y C 2.323 178.194 175.900 -0.049 0.000 1.134 237 Y CA -0.379 57.602 58.100 -0.198 0.000 1.261 237 Y CB -0.347 37.945 38.460 -0.280 0.000 1.143 237 Y HN 0.069 nan 8.280 nan 0.000 0.523 238 K N 1.104 121.547 120.400 0.072 0.000 2.009 238 K HA -0.273 4.050 4.320 0.006 0.000 0.210 238 K C 1.963 178.619 176.600 0.092 0.000 1.049 238 K CA 2.053 58.388 56.287 0.080 0.000 0.929 238 K CB 0.044 32.568 32.500 0.040 0.000 0.714 238 K HN 0.154 nan 8.250 nan 0.000 0.440 239 E N 0.574 120.814 120.200 0.067 0.000 2.118 239 E HA -0.147 4.207 4.350 0.006 0.000 0.195 239 E C 1.568 178.248 176.600 0.133 0.000 0.992 239 E CA 1.598 58.047 56.400 0.081 0.000 0.804 239 E CB -0.263 29.464 29.700 0.046 0.000 0.741 239 E HN 0.399 nan 8.360 nan 0.000 0.458 240 A N -0.262 122.656 122.820 0.163 0.000 1.898 240 A HA -0.187 4.137 4.320 0.006 0.000 0.216 240 A C 2.600 180.348 177.584 0.273 0.000 1.181 240 A CA 1.488 53.651 52.037 0.209 0.000 0.620 240 A CB -0.993 18.197 19.000 0.316 0.000 0.819 240 A HN 0.489 nan 8.150 nan 0.000 0.442 241 c N -1.141 117.599 118.600 0.233 0.000 2.446 241 c HA -0.056 4.518 4.570 0.006 0.000 0.277 241 c C 3.041 177.288 174.090 0.263 0.000 1.275 241 c CA 1.477 57.953 56.329 0.245 0.000 1.727 241 c CB -1.463 41.148 42.510 0.167 0.000 2.010 241 c HN 0.642 nan 8.230 nan 0.000 0.486 242 T N 1.263 115.935 114.554 0.198 0.000 2.737 242 T HA -0.108 4.245 4.350 0.006 0.000 0.265 242 T C 2.161 176.983 174.700 0.202 0.000 1.038 242 T CA 1.710 63.906 62.100 0.160 0.000 1.144 242 T CB -0.456 68.480 68.868 0.114 0.000 0.866 242 T HN 0.623 nan 8.240 nan 0.000 0.434 243 A N 0.270 123.244 122.820 0.257 0.000 1.933 243 A HA -0.104 4.219 4.320 0.006 0.000 0.218 243 A C 2.062 179.934 177.584 0.481 0.000 1.175 243 A CA 1.469 53.699 52.037 0.323 0.000 0.628 243 A CB -1.065 18.128 19.000 0.322 0.000 0.814 243 A HN 0.681 nan 8.150 nan 0.000 0.444 244 Y N 0.202 120.746 120.300 0.406 0.000 2.114 244 Y HA -0.217 4.336 4.550 0.005 0.000 0.284 244 Y C 2.397 178.381 175.900 0.140 0.000 1.143 244 Y CA 1.771 60.082 58.100 0.352 0.000 1.135 244 Y CB -0.050 38.630 38.460 0.367 0.000 0.980 244 Y HN 0.113 nan 8.280 nan 0.000 0.499 245 V N 0.429 120.375 119.914 0.053 0.000 2.427 245 V HA -0.284 3.840 4.120 0.006 0.000 0.248 245 V C 1.694 177.715 176.094 -0.123 0.000 1.051 245 V CA 2.116 64.318 62.300 -0.164 0.000 1.048 245 V CB -0.617 31.170 31.823 -0.059 0.000 0.666 245 V HN 0.427 nan 8.190 nan 0.000 0.456 246 D N -0.554 119.865 120.400 0.032 0.000 2.144 246 D HA -0.166 4.478 4.640 0.006 0.000 0.199 246 D C 1.868 178.237 176.300 0.114 0.000 0.984 246 D CA 1.201 55.236 54.000 0.058 0.000 0.834 246 D CB -0.269 40.594 40.800 0.105 0.000 0.955 246 D HN 0.500 nan 8.370 nan 0.000 0.465 247 F N 0.563 120.490 119.950 -0.038 0.000 2.102 247 F HA -0.214 4.317 4.527 0.006 0.000 0.298 247 F C 2.274 177.976 175.800 -0.165 0.000 1.105 247 F CA 0.735 58.736 58.000 0.001 0.000 1.239 247 F CB 0.021 39.055 39.000 0.058 0.000 0.991 247 F HN -0.130 nan 8.300 nan 0.000 0.474 248 M N 0.602 119.811 119.600 -0.653 0.000 2.073 248 M HA -0.288 4.195 4.480 0.006 0.000 0.258 248 M C 2.115 178.171 176.300 -0.407 0.000 1.070 248 M CA 1.981 56.574 55.300 -1.178 0.000 1.103 248 M CB -0.673 31.171 32.600 -1.260 0.000 1.321 248 M HN 0.221 nan 8.290 nan 0.000 0.405 249 I N -0.517 119.892 120.570 -0.268 0.000 2.226 249 I HA -0.276 3.898 4.170 0.006 0.000 0.245 249 I C 2.483 178.570 176.117 -0.050 0.000 1.100 249 I CA 1.175 62.382 61.300 -0.155 0.000 1.374 249 I CB -0.463 37.468 38.000 -0.114 0.000 1.057 249 I HN 0.250 nan 8.210 nan 0.000 0.413 250 S N 0.357 116.075 115.700 0.030 0.000 2.368 250 S HA -0.130 4.344 4.470 0.006 0.000 0.225 250 S C 2.075 176.749 174.600 0.123 0.000 1.030 250 S CA 1.276 59.530 58.200 0.091 0.000 0.999 250 S CB -0.229 63.074 63.200 0.172 0.000 0.844 250 S HN 0.234 nan 8.310 nan 0.000 0.459 251 V N 1.895 121.932 119.914 0.205 0.000 2.379 251 V HA -0.114 4.009 4.120 0.006 0.000 0.245 251 V C 2.645 178.950 176.094 0.351 0.000 1.044 251 V CA 1.504 63.997 62.300 0.322 0.000 1.036 251 V CB -1.253 30.812 31.823 0.404 0.000 0.664 251 V HN 0.521 nan 8.190 nan 0.000 0.453 252 A N 0.203 123.188 122.820 0.275 0.000 1.940 252 A HA -0.289 4.034 4.320 0.006 0.000 0.219 252 A C 2.397 179.983 177.584 0.004 0.000 1.176 252 A CA 2.289 54.335 52.037 0.014 0.000 0.631 252 A CB -0.572 18.179 19.000 -0.415 0.000 0.814 252 A HN 0.502 nan 8.150 nan 0.000 0.446 253 R N -0.515 119.986 120.500 0.002 0.000 2.075 253 R HA 0.014 4.358 4.340 0.006 0.000 0.232 253 R C 1.970 178.276 176.300 0.010 0.000 1.126 253 R CA 1.280 57.373 56.100 -0.012 0.000 0.963 253 R CB -0.352 29.934 30.300 -0.023 0.000 0.858 253 R HN 0.522 nan 8.270 nan 0.000 0.435 254 L N 0.331 121.566 121.223 0.020 0.000 2.056 254 L HA -0.164 4.179 4.340 0.006 0.000 0.207 254 L C 2.352 179.285 176.870 0.105 0.000 1.078 254 L CA 1.184 55.999 54.840 -0.041 0.000 0.749 254 L CB -0.321 41.552 42.059 -0.311 0.000 0.901 254 L HN 0.269 nan 8.230 nan 0.000 0.433 255 I N -0.670 120.035 120.570 0.224 0.000 2.226 255 I HA -0.277 3.897 4.170 0.006 0.000 0.245 255 I C 2.765 178.963 176.117 0.136 0.000 1.100 255 I CA 1.210 62.658 61.300 0.246 0.000 1.374 255 I CB -0.378 37.797 38.000 0.293 0.000 1.057 255 I HN 0.239 nan 8.210 nan 0.000 0.413 256 R N 0.610 121.158 120.500 0.080 0.000 2.073 256 R HA -0.172 4.171 4.340 0.006 0.000 0.234 256 R C 2.328 178.650 176.300 0.036 0.000 1.134 256 R CA 1.396 57.519 56.100 0.039 0.000 0.952 256 R CB -0.370 29.928 30.300 -0.003 0.000 0.850 256 R HN 0.496 nan 8.270 nan 0.000 0.433 257 Q N 0.190 120.007 119.800 0.029 0.000 2.124 257 Q HA -0.209 4.134 4.340 0.006 0.000 0.202 257 Q C 1.968 177.988 176.000 0.034 0.000 0.977 257 Q CA 1.459 57.273 55.803 0.019 0.000 0.850 257 Q CB -0.031 28.708 28.738 0.001 0.000 0.901 257 Q HN 0.422 nan 8.270 nan 0.000 0.429 258 E N 0.623 120.860 120.200 0.061 0.000 2.107 258 E HA -0.147 4.207 4.350 0.006 0.000 0.191 258 E C 1.381 178.018 176.600 0.062 0.000 0.982 258 E CA 0.608 57.053 56.400 0.074 0.000 0.809 258 E CB 0.322 30.099 29.700 0.128 0.000 0.756 258 E HN 0.205 nan 8.360 nan 0.000 0.459 259 E N 0.447 120.687 120.200 0.067 0.000 2.511 259 E HA -0.044 4.310 4.350 0.006 0.000 0.196 259 E C 0.014 176.640 176.600 0.043 0.000 1.066 259 E CA 0.116 56.551 56.400 0.058 0.000 0.871 259 E CB 0.209 29.952 29.700 0.071 0.000 0.863 259 E HN 0.072 nan 8.360 nan 0.000 0.520 260 R N -0.144 120.377 120.500 0.035 0.000 3.423 260 R HA -0.150 4.193 4.340 0.006 0.000 0.271 260 R C -0.752 175.560 176.300 0.021 0.000 1.093 260 R CA 0.295 56.410 56.100 0.024 0.000 0.730 260 R CB -2.253 28.061 30.300 0.022 0.000 1.190 260 R HN 0.123 nan 8.270 nan 0.000 0.437 261 L N 0.021 121.256 121.223 0.020 0.000 2.352 261 L HA 0.646 4.989 4.340 0.006 0.000 0.269 261 L C -1.551 175.320 176.870 0.002 0.000 1.034 261 L CA -2.389 52.459 54.840 0.014 0.000 0.806 261 L CB 1.026 43.096 42.059 0.017 0.000 1.244 261 L HN -0.093 nan 8.230 nan 0.000 0.447 262 P HA 0.234 nan 4.420 nan 0.000 0.272 262 P C -0.915 176.372 177.300 -0.020 0.000 1.223 262 P CA 0.033 63.127 63.100 -0.010 0.000 0.784 262 P CB 0.611 32.305 31.700 -0.010 0.000 0.923 263 I N 1.861 122.417 120.570 -0.024 0.000 2.420 263 I HA 0.184 4.358 4.170 0.006 0.000 0.282 263 I C -0.247 175.848 176.117 -0.037 0.000 1.019 263 I CA -0.497 60.782 61.300 -0.035 0.000 1.130 263 I CB 1.350 39.331 38.000 -0.032 0.000 1.262 263 I HN 0.203 nan 8.210 nan 0.000 0.454 264 D N 6.588 126.961 120.400 -0.046 0.000 2.443 264 D HA 0.113 4.756 4.640 0.006 0.000 0.221 264 D C 1.132 177.399 176.300 -0.056 0.000 1.097 264 D CA -0.149 53.824 54.000 -0.045 0.000 0.865 264 D CB 1.061 41.834 40.800 -0.046 0.000 1.034 264 D HN 0.348 nan 8.370 nan 0.000 0.511 265 E N 2.612 122.783 120.200 -0.048 0.000 2.130 265 E HA -0.214 4.139 4.350 0.006 0.000 0.196 265 E C 1.298 177.864 176.600 -0.056 0.000 0.998 265 E CA 0.732 57.102 56.400 -0.051 0.000 0.806 265 E CB 0.084 29.762 29.700 -0.038 0.000 0.738 265 E HN 0.617 nan 8.360 nan 0.000 0.459 266 N N 0.455 119.126 118.700 -0.049 0.000 2.142 266 N HA -0.179 4.564 4.740 0.006 0.000 0.186 266 N C 1.915 177.388 175.510 -0.063 0.000 1.023 266 N CA 1.025 54.046 53.050 -0.049 0.000 0.852 266 N CB 0.052 38.516 38.487 -0.038 0.000 0.998 266 N HN 0.085 nan 8.380 nan 0.000 0.424 267 Q N 1.302 121.061 119.800 -0.069 0.000 2.124 267 Q HA 0.014 4.357 4.340 0.006 0.000 0.202 267 Q C 2.100 178.029 176.000 -0.117 0.000 0.977 267 Q CA 1.056 56.808 55.803 -0.085 0.000 0.850 267 Q CB -0.290 28.400 28.738 -0.080 0.000 0.901 267 Q HN 0.373 nan 8.270 nan 0.000 0.429 268 L N -0.466 120.682 121.223 -0.125 0.000 2.017 268 L HA -0.163 4.180 4.340 0.006 0.000 0.208 268 L C 2.358 179.131 176.870 -0.161 0.000 1.073 268 L CA 1.157 55.897 54.840 -0.167 0.000 0.745 268 L CB -0.806 41.163 42.059 -0.150 0.000 0.894 268 L HN 0.338 nan 8.230 nan 0.000 0.432 269 A N 0.069 122.819 122.820 -0.117 0.000 1.902 269 A HA -0.183 4.140 4.320 0.006 0.000 0.217 269 A C 2.243 179.769 177.584 -0.097 0.000 1.181 269 A CA 1.403 53.381 52.037 -0.099 0.000 0.623 269 A CB -0.708 18.252 19.000 -0.067 0.000 0.818 269 A HN 0.347 nan 8.150 nan 0.000 0.443 270 L N -0.841 120.329 121.223 -0.089 0.000 2.012 270 L HA -0.231 4.112 4.340 0.006 0.000 0.210 270 L C 2.704 179.517 176.870 -0.095 0.000 1.073 270 L CA 1.868 56.661 54.840 -0.077 0.000 0.748 270 L CB -0.567 41.451 42.059 -0.069 0.000 0.891 270 L HN 0.492 nan 8.230 nan 0.000 0.431 271 E N -0.652 119.467 120.200 -0.135 0.000 2.072 271 E HA -0.194 4.159 4.350 0.006 0.000 0.191 271 E C 2.292 178.784 176.600 -0.178 0.000 0.985 271 E CA 1.023 57.324 56.400 -0.166 0.000 0.801 271 E CB 0.014 29.575 29.700 -0.233 0.000 0.750 271 E HN 0.363 nan 8.360 nan 0.000 0.452 272 M N 0.780 120.253 119.600 -0.212 0.000 2.229 272 M HA -0.084 4.399 4.480 0.006 0.000 0.264 272 M C 1.625 177.821 176.300 -0.173 0.000 1.063 272 M CA 0.973 56.125 55.300 -0.246 0.000 1.114 272 M CB -0.875 31.539 32.600 -0.311 0.000 1.387 272 M HN 0.046 nan 8.290 nan 0.000 0.420 273 N N 0.538 119.172 118.700 -0.110 0.000 2.244 273 N HA -0.135 4.609 4.740 0.006 0.000 0.183 273 N C 1.678 177.182 175.510 -0.010 0.000 1.016 273 N CA 0.962 53.984 53.050 -0.048 0.000 0.866 273 N CB -0.151 38.320 38.487 -0.027 0.000 0.980 273 N HN 0.427 nan 8.380 nan 0.000 0.430 274 K N 1.103 121.492 120.400 -0.019 0.000 2.155 274 K HA -0.051 4.272 4.320 0.006 0.000 0.203 274 K C 1.948 178.569 176.600 0.034 0.000 1.052 274 K CA 0.599 56.910 56.287 0.039 0.000 0.948 274 K CB 0.178 32.699 32.500 0.035 0.000 0.728 274 K HN 0.081 nan 8.250 nan 0.000 0.448 275 V N -0.903 118.990 119.914 -0.036 0.000 2.453 275 V HA -0.162 3.961 4.120 0.006 0.000 0.247 275 V C 2.107 178.209 176.094 0.014 0.000 1.048 275 V CA 1.403 63.680 62.300 -0.039 0.000 1.049 275 V CB -0.457 31.331 31.823 -0.059 0.000 0.672 275 V HN 0.265 nan 8.190 nan 0.000 0.457 276 M N 1.431 121.045 119.600 0.024 0.000 2.132 276 M HA -0.075 4.409 4.480 0.006 0.000 0.263 276 M C 1.992 178.391 176.300 0.164 0.000 1.065 276 M CA 1.988 57.376 55.300 0.146 0.000 1.122 276 M CB -0.913 31.763 32.600 0.126 0.000 1.365 276 M HN 0.536 nan 8.290 nan 0.000 0.411 277 E N -0.185 120.086 120.200 0.118 0.000 2.077 277 E HA -0.215 4.138 4.350 0.006 0.000 0.193 277 E C 2.150 178.817 176.600 0.113 0.000 0.989 277 E CA 1.483 57.969 56.400 0.142 0.000 0.800 277 E CB -0.417 29.386 29.700 0.172 0.000 0.746 277 E HN 0.541 nan 8.360 nan 0.000 0.452 278 L N 1.064 122.286 121.223 -0.002 0.000 1.994 278 L HA -0.233 4.111 4.340 0.006 0.000 0.208 278 L C 2.520 179.294 176.870 -0.160 0.000 1.071 278 L CA 1.651 56.309 54.840 -0.302 0.000 0.745 278 L CB -0.220 41.519 42.059 -0.533 0.000 0.892 278 L HN 0.187 nan 8.230 nan 0.000 0.431 279 E N -0.279 119.889 120.200 -0.053 0.000 2.153 279 E HA -0.257 4.096 4.350 0.006 0.000 0.194 279 E C 2.127 178.578 176.600 -0.248 0.000 0.988 279 E CA 1.028 57.382 56.400 -0.077 0.000 0.811 279 E CB 0.164 29.930 29.700 0.111 0.000 0.746 279 E HN 0.413 nan 8.360 nan 0.000 0.466 280 K N 0.347 120.710 120.400 -0.061 0.000 2.032 280 K HA -0.179 4.144 4.320 0.006 0.000 0.209 280 K C 2.080 178.638 176.600 -0.070 0.000 1.048 280 K CA 1.523 57.791 56.287 -0.033 0.000 0.927 280 K CB -0.039 32.563 32.500 0.171 0.000 0.712 280 K HN 0.190 nan 8.250 nan 0.000 0.441 281 E N 0.562 120.752 120.200 -0.016 0.000 2.077 281 E HA -0.177 4.176 4.350 0.006 0.000 0.193 281 E C 2.084 178.674 176.600 -0.017 0.000 0.989 281 E CA 1.029 57.435 56.400 0.010 0.000 0.800 281 E CB -0.110 29.627 29.700 0.062 0.000 0.746 281 E HN 0.311 nan 8.360 nan 0.000 0.452 282 I N 1.097 121.632 120.570 -0.058 0.000 2.252 282 I HA -0.246 3.928 4.170 0.006 0.000 0.245 282 I C 2.580 178.691 176.117 -0.010 0.000 1.102 282 I CA 0.824 62.133 61.300 0.014 0.000 1.385 282 I CB -0.295 37.706 38.000 0.002 0.000 1.064 282 I HN 0.057 nan 8.210 nan 0.000 0.414 283 A N 0.751 123.444 122.820 -0.212 0.000 1.877 283 A HA -0.277 4.046 4.320 0.006 0.000 0.216 283 A C 2.183 179.728 177.584 -0.064 0.000 1.186 283 A CA 2.105 53.989 52.037 -0.255 0.000 0.620 283 A CB -0.996 17.607 19.000 -0.663 0.000 0.822 283 A HN 0.529 nan 8.150 nan 0.000 0.443 284 N N 0.162 118.843 118.700 -0.030 0.000 2.289 284 N HA -0.107 4.636 4.740 0.006 0.000 0.184 284 N C 1.734 177.277 175.510 0.056 0.000 1.016 284 N CA 1.127 54.194 53.050 0.027 0.000 0.872 284 N CB -0.144 38.365 38.487 0.036 0.000 0.973 284 N HN 0.404 nan 8.380 nan 0.000 0.433 285 A N 0.446 123.317 122.820 0.085 0.000 2.067 285 A HA -0.002 4.322 4.320 0.006 0.000 0.217 285 A C 1.177 178.918 177.584 0.262 0.000 1.156 285 A CA 0.818 52.944 52.037 0.147 0.000 0.683 285 A CB -0.693 18.376 19.000 0.115 0.000 0.808 285 A HN 0.507 nan 8.150 nan 0.000 0.455 286 T N -1.265 113.403 114.554 0.190 0.000 2.926 286 T HA 0.534 4.888 4.350 0.006 0.000 0.307 286 T C 0.236 174.972 174.700 0.060 0.000 1.059 286 T CA -0.254 61.893 62.100 0.077 0.000 1.122 286 T CB 1.036 69.860 68.868 -0.073 0.000 0.972 286 T HN 0.723 nan 8.240 nan 0.000 0.545 287 A N 2.816 125.660 122.820 0.040 0.000 2.388 287 A HA 0.422 4.745 4.320 0.006 0.000 0.257 287 A C 0.584 178.176 177.584 0.013 0.000 1.095 287 A CA -0.774 51.284 52.037 0.035 0.000 0.791 287 A CB 0.063 19.084 19.000 0.035 0.000 1.029 287 A HN 0.913 nan 8.150 nan 0.000 0.489 288 K N 2.176 122.587 120.400 0.018 0.000 2.319 288 K HA 0.136 4.460 4.320 0.006 0.000 0.265 288 K C -1.752 174.849 176.600 0.002 0.000 1.000 288 K CA -1.212 55.083 56.287 0.013 0.000 0.943 288 K CB 0.368 32.878 32.500 0.017 0.000 0.950 288 K HN 0.368 nan 8.250 nan 0.000 0.485 289 P HA -0.163 nan 4.420 nan 0.000 0.216 289 P C 0.259 177.550 177.300 -0.015 0.000 1.150 289 P CA 1.285 64.378 63.100 -0.011 0.000 0.837 289 P CB 0.247 31.944 31.700 -0.005 0.000 0.786 290 E N -0.668 119.526 120.200 -0.009 0.000 2.267 290 E HA -0.156 4.198 4.350 0.006 0.000 0.197 290 E C 0.842 177.433 176.600 -0.015 0.000 0.998 290 E CA 1.036 57.427 56.400 -0.014 0.000 0.830 290 E CB -0.551 29.143 29.700 -0.009 0.000 0.751 290 E HN 0.334 nan 8.360 nan 0.000 0.491 291 D N -0.806 119.589 120.400 -0.009 0.000 2.402 291 D HA 0.123 4.767 4.640 0.006 0.000 0.216 291 D C 0.540 176.834 176.300 -0.010 0.000 1.128 291 D CA 0.126 54.123 54.000 -0.005 0.000 0.833 291 D CB 0.462 41.267 40.800 0.008 0.000 0.971 291 D HN 0.062 nan 8.370 nan 0.000 0.503 292 R N 0.488 120.974 120.500 -0.023 0.000 2.572 292 R HA 0.068 4.412 4.340 0.006 0.000 0.370 292 R C 0.900 177.169 176.300 -0.052 0.000 1.005 292 R CA -0.043 56.031 56.100 -0.043 0.000 1.146 292 R CB 0.341 30.608 30.300 -0.056 0.000 1.390 292 R HN -0.044 nan 8.270 nan 0.000 0.553 293 N N 0.018 118.696 118.700 -0.036 0.000 2.322 293 N HA -0.064 4.680 4.740 0.006 0.000 0.194 293 N C -0.442 175.051 175.510 -0.028 0.000 1.126 293 N CA 0.292 53.324 53.050 -0.030 0.000 0.845 293 N CB 0.350 38.821 38.487 -0.027 0.000 0.976 293 N HN -0.042 nan 8.380 nan 0.000 0.475 294 D N 0.736 121.117 120.400 -0.032 0.000 2.461 294 D HA 0.314 4.957 4.640 0.006 0.000 0.240 294 D C -1.859 174.425 176.300 -0.027 0.000 1.094 294 D CA -2.196 51.780 54.000 -0.041 0.000 0.868 294 D CB 2.077 42.849 40.800 -0.046 0.000 1.062 294 D HN -0.114 nan 8.370 nan 0.000 0.530 295 P HA -0.165 nan 4.420 nan 0.000 0.216 295 P C 1.838 179.146 177.300 0.014 0.000 1.153 295 P CA 1.032 64.140 63.100 0.013 0.000 0.858 295 P CB 0.178 31.867 31.700 -0.018 0.000 0.789 296 M N -1.498 118.063 119.600 -0.065 0.000 2.149 296 M HA -0.104 4.380 4.480 0.006 0.000 0.261 296 M C 2.098 178.419 176.300 0.036 0.000 1.064 296 M CA 1.609 56.879 55.300 -0.050 0.000 1.102 296 M CB -1.409 31.133 32.600 -0.098 0.000 1.369 296 M HN 0.024 nan 8.290 nan 0.000 0.408 297 L N -1.292 119.948 121.223 0.029 0.000 2.270 297 L HA -0.092 4.251 4.340 0.006 0.000 0.210 297 L C 2.303 179.231 176.870 0.098 0.000 1.104 297 L CA 0.306 55.177 54.840 0.052 0.000 0.804 297 L CB -0.380 41.692 42.059 0.021 0.000 0.937 297 L HN 0.252 nan 8.230 nan 0.000 0.450 298 L N -1.085 120.206 121.223 0.114 0.000 2.156 298 L HA -0.130 4.213 4.340 0.006 0.000 0.208 298 L C 0.806 177.881 176.870 0.341 0.000 1.095 298 L CA 0.487 55.428 54.840 0.168 0.000 0.770 298 L CB -0.112 41.955 42.059 0.013 0.000 0.914 298 L HN 0.178 nan 8.230 nan 0.000 0.439 299 Y N 2.572 122.998 120.300 0.209 0.000 2.637 299 Y HA 0.044 4.597 4.550 0.006 0.000 0.350 299 Y C -0.016 175.930 175.900 0.077 0.000 1.069 299 Y CA 0.002 58.211 58.100 0.181 0.000 1.397 299 Y CB -0.123 38.408 38.460 0.119 0.000 1.163 299 Y HN 0.081 nan 8.280 nan 0.000 0.527 300 N N 6.574 125.179 118.700 -0.159 0.000 2.664 300 N HA 0.097 4.841 4.740 0.006 0.000 0.257 300 N C -1.221 174.119 175.510 -0.283 0.000 1.108 300 N CA -0.698 52.293 53.050 -0.099 0.000 0.822 300 N CB 1.388 39.867 38.487 -0.014 0.000 1.199 300 N HN 0.508 nan 8.380 nan 0.000 0.529 301 K N 2.520 122.767 120.400 -0.254 0.000 2.312 301 K HA 0.383 4.706 4.320 0.006 0.000 0.287 301 K C -0.526 176.002 176.600 -0.119 0.000 1.062 301 K CA 0.299 56.438 56.287 -0.247 0.000 0.934 301 K CB 0.688 33.138 32.500 -0.084 0.000 1.027 301 K HN 0.410 nan 8.250 nan 0.000 0.478 302 M N 2.164 121.680 119.600 -0.141 0.000 2.631 302 M HA 0.272 4.756 4.480 0.006 0.000 0.288 302 M C -0.490 175.751 176.300 -0.099 0.000 1.260 302 M CA -1.006 54.238 55.300 -0.093 0.000 0.842 302 M CB 2.449 35.003 32.600 -0.076 0.000 1.743 302 M HN 0.731 nan 8.290 nan 0.000 0.461 303 T N -1.386 113.124 114.554 -0.074 0.000 2.918 303 T HA 0.442 4.795 4.350 0.006 0.000 0.283 303 T C 0.996 175.657 174.700 -0.065 0.000 1.001 303 T CA -0.888 61.175 62.100 -0.063 0.000 1.041 303 T CB 0.785 69.627 68.868 -0.043 0.000 1.028 303 T HN 0.644 nan 8.240 nan 0.000 0.511 304 L N 0.936 122.133 121.223 -0.044 0.000 2.187 304 L HA -0.085 4.259 4.340 0.006 0.000 0.213 304 L C 3.010 179.876 176.870 -0.007 0.000 1.100 304 L CA 1.463 56.292 54.840 -0.018 0.000 0.765 304 L CB -0.907 41.173 42.059 0.036 0.000 0.904 304 L HN 0.979 nan 8.230 nan 0.000 0.437 305 A N -0.345 122.468 122.820 -0.011 0.000 1.873 305 A HA -0.230 4.093 4.320 0.006 0.000 0.215 305 A C 2.164 179.726 177.584 -0.037 0.000 1.186 305 A CA 1.294 53.327 52.037 -0.006 0.000 0.616 305 A CB -0.399 18.595 19.000 -0.010 0.000 0.823 305 A HN 0.456 nan 8.150 nan 0.000 0.442 306 Q N -0.552 119.210 119.800 -0.062 0.000 2.170 306 Q HA -0.104 4.239 4.340 0.006 0.000 0.203 306 Q C 1.997 177.909 176.000 -0.147 0.000 0.976 306 Q CA 1.391 57.135 55.803 -0.098 0.000 0.858 306 Q CB -0.330 28.355 28.738 -0.088 0.000 0.907 306 Q HN 0.741 nan 8.270 nan 0.000 0.433 307 I N 0.332 120.820 120.570 -0.136 0.000 2.202 307 I HA -0.270 3.904 4.170 0.006 0.000 0.242 307 I C 2.511 178.499 176.117 -0.216 0.000 1.091 307 I CA 1.038 62.216 61.300 -0.203 0.000 1.368 307 I CB -0.122 37.641 38.000 -0.395 0.000 1.058 307 I HN 0.182 nan 8.210 nan 0.000 0.410 308 Q N 1.211 120.971 119.800 -0.067 0.000 2.170 308 Q HA -0.238 4.105 4.340 0.006 0.000 0.203 308 Q C 1.807 177.858 176.000 0.085 0.000 0.976 308 Q CA 1.856 57.756 55.803 0.162 0.000 0.858 308 Q CB -0.249 28.610 28.738 0.202 0.000 0.907 308 Q HN 0.392 nan 8.270 nan 0.000 0.433 309 N N -0.429 118.252 118.700 -0.031 0.000 2.173 309 N HA -0.072 4.671 4.740 0.006 0.000 0.184 309 N C 0.937 176.349 175.510 -0.163 0.000 1.025 309 N CA 1.479 54.488 53.050 -0.068 0.000 0.852 309 N CB -0.163 38.276 38.487 -0.080 0.000 0.998 309 N HN 0.229 nan 8.380 nan 0.000 0.427 310 N N -0.667 117.820 118.700 -0.354 0.000 2.376 310 N HA 0.007 4.750 4.740 0.006 0.000 0.177 310 N C -0.550 174.448 175.510 -0.855 0.000 1.024 310 N CA 0.535 53.171 53.050 -0.689 0.000 0.893 310 N CB 0.059 37.914 38.487 -1.054 0.000 0.980 310 N HN 0.226 nan 8.380 nan 0.000 0.439 311 F N 0.677 120.617 119.950 -0.016 0.000 2.523 311 F HA 0.388 4.918 4.527 0.005 0.000 0.322 311 F C 0.259 176.215 175.800 0.259 0.000 1.361 311 F CA -1.004 57.033 58.000 0.063 0.000 1.151 311 F CB 0.094 39.080 39.000 -0.025 0.000 1.391 311 F HN -0.352 nan 8.300 nan 0.000 0.566 312 S N 2.163 118.031 115.700 0.280 0.000 2.579 312 S HA 0.606 5.079 4.470 0.006 0.000 0.275 312 S C -0.149 174.596 174.600 0.242 0.000 1.345 312 S CA -0.152 58.211 58.200 0.272 0.000 1.031 312 S CB 0.885 64.174 63.200 0.148 0.000 0.892 312 S HN 0.390 nan 8.310 nan 0.000 0.529 313 L N 1.673 123.014 121.223 0.198 0.000 2.482 313 L HA 0.480 4.824 4.340 0.006 0.000 0.263 313 L C -0.536 176.382 176.870 0.080 0.000 0.957 313 L CA -0.290 54.587 54.840 0.061 0.000 0.836 313 L CB 2.266 44.229 42.059 -0.160 0.000 1.324 313 L HN 0.606 nan 8.230 nan 0.000 0.406 314 E N 3.785 124.014 120.200 0.049 0.000 2.216 314 E HA 0.592 4.945 4.350 0.006 0.000 0.260 314 E C -1.557 175.083 176.600 0.067 0.000 0.880 314 E CA -0.462 55.983 56.400 0.074 0.000 0.765 314 E CB 1.805 31.544 29.700 0.066 0.000 1.174 314 E HN 0.434 nan 8.360 nan 0.000 0.417 315 I N 4.115 124.749 120.570 0.107 0.000 2.466 315 I HA 0.224 4.397 4.170 0.006 0.000 0.289 315 I C 0.612 176.844 176.117 0.193 0.000 1.026 315 I CA -0.704 60.680 61.300 0.140 0.000 1.078 315 I CB 1.698 39.795 38.000 0.161 0.000 1.249 315 I HN 0.737 nan 8.210 nan 0.000 0.429 316 N N 4.626 123.424 118.700 0.163 0.000 2.708 316 N HA -0.229 4.514 4.740 0.006 0.000 0.249 316 N C 0.919 176.507 175.510 0.129 0.000 1.097 316 N CA 0.822 53.960 53.050 0.148 0.000 0.710 316 N CB -0.272 38.357 38.487 0.236 0.000 1.032 316 N HN 1.235 nan 8.380 nan 0.000 0.551 317 G N -0.450 108.412 108.800 0.102 0.000 2.162 317 G HA2 -0.364 3.600 3.960 0.006 0.000 0.260 317 G HA3 -0.364 3.600 3.960 0.006 0.000 0.260 317 G C 0.882 175.834 174.900 0.086 0.000 0.976 317 G CA 0.904 46.053 45.100 0.081 0.000 0.655 317 G HN 0.493 nan 8.290 nan 0.000 0.533 318 K N 1.055 121.520 120.400 0.109 0.000 2.037 318 K HA -0.108 4.216 4.320 0.006 0.000 0.232 318 K C -0.726 175.915 176.600 0.068 0.000 0.957 318 K CA 2.015 58.358 56.287 0.094 0.000 1.069 318 K CB -1.483 31.082 32.500 0.109 0.000 0.686 318 K HN 0.478 nan 8.250 nan 0.000 0.547 319 P HA 0.062 nan 4.420 nan 0.000 0.274 319 P C -0.383 176.981 177.300 0.107 0.000 1.256 319 P CA -0.212 62.947 63.100 0.099 0.000 0.795 319 P CB 0.216 31.972 31.700 0.093 0.000 1.038 320 F N 0.636 120.549 119.950 -0.061 0.000 2.456 320 F HA 0.251 4.781 4.527 0.006 0.000 0.358 320 F C 0.658 176.380 175.800 -0.130 0.000 1.095 320 F CA 0.311 58.210 58.000 -0.167 0.000 1.216 320 F CB 0.607 39.418 39.000 -0.315 0.000 1.125 320 F HN 0.075 nan 8.300 nan 0.000 0.549 321 S N 6.185 121.536 115.700 -0.583 0.000 2.461 321 S HA 0.157 4.630 4.470 0.006 0.000 0.322 321 S C 0.419 174.773 174.600 -0.409 0.000 1.063 321 S CA -0.708 57.305 58.200 -0.311 0.000 1.120 321 S CB 0.086 63.160 63.200 -0.210 0.000 0.968 321 S HN 0.826 nan 8.310 nan 0.000 0.467 322 W N 3.848 125.140 121.300 -0.014 0.000 2.374 322 W HA -0.046 4.616 4.660 0.004 0.000 0.288 322 W C 1.901 178.468 176.519 0.080 0.000 1.218 322 W CA 0.344 57.786 57.345 0.163 0.000 1.245 322 W CB -0.155 29.457 29.460 0.253 0.000 1.126 322 W HN 0.667 nan 8.180 nan 0.000 0.545 323 L N 0.880 122.225 121.223 0.204 0.000 2.056 323 L HA -0.168 4.175 4.340 0.006 0.000 0.207 323 L C 2.177 179.056 176.870 0.016 0.000 1.078 323 L CA 1.986 56.885 54.840 0.097 0.000 0.749 323 L CB -1.159 40.938 42.059 0.063 0.000 0.901 323 L HN 0.064 nan 8.230 nan 0.000 0.433 324 N N -0.762 117.912 118.700 -0.044 0.000 2.142 324 N HA -0.272 4.472 4.740 0.006 0.000 0.186 324 N C 2.188 177.653 175.510 -0.075 0.000 1.023 324 N CA 1.665 54.663 53.050 -0.086 0.000 0.852 324 N CB -0.292 38.109 38.487 -0.144 0.000 0.998 324 N HN 0.491 nan 8.380 nan 0.000 0.424 325 F N 1.696 121.466 119.950 -0.300 0.000 2.069 325 F HA -0.189 4.341 4.527 0.005 0.000 0.298 325 F C 2.349 178.108 175.800 -0.069 0.000 1.113 325 F CA 1.679 59.528 58.000 -0.251 0.000 1.214 325 F CB -0.538 38.236 39.000 -0.376 0.000 0.978 325 F HN -0.024 nan 8.300 nan 0.000 0.474 326 T N 0.769 115.205 114.554 -0.197 0.000 2.746 326 T HA -0.186 4.168 4.350 0.006 0.000 0.267 326 T C 1.638 176.218 174.700 -0.199 0.000 1.039 326 T CA 1.530 63.470 62.100 -0.267 0.000 1.142 326 T CB -0.376 68.460 68.868 -0.054 0.000 0.866 326 T HN 0.317 nan 8.240 nan 0.000 0.444 327 N N 0.768 119.398 118.700 -0.116 0.000 2.270 327 N HA -0.040 4.703 4.740 0.006 0.000 0.181 327 N C 1.902 177.353 175.510 -0.099 0.000 1.016 327 N CA 0.625 53.621 53.050 -0.091 0.000 0.870 327 N CB -0.123 38.331 38.487 -0.057 0.000 0.979 327 N HN 0.373 nan 8.380 nan 0.000 0.431 328 E N 0.926 121.063 120.200 -0.106 0.000 2.153 328 E HA -0.072 4.281 4.350 0.006 0.000 0.194 328 E C 2.031 178.570 176.600 -0.101 0.000 0.988 328 E CA 0.457 56.811 56.400 -0.078 0.000 0.811 328 E CB 0.036 29.711 29.700 -0.042 0.000 0.746 328 E HN 0.439 nan 8.360 nan 0.000 0.466 329 I N 0.296 120.757 120.570 -0.182 0.000 2.188 329 I HA -0.212 3.962 4.170 0.006 0.000 0.237 329 I C 2.255 178.289 176.117 -0.137 0.000 1.073 329 I CA 0.619 61.809 61.300 -0.184 0.000 1.359 329 I CB -0.203 37.615 38.000 -0.304 0.000 1.083 329 I HN 0.056 nan 8.210 nan 0.000 0.412 330 M N 0.153 119.670 119.600 -0.139 0.000 2.346 330 M HA -0.143 4.340 4.480 0.006 0.000 0.263 330 M C 2.402 178.651 176.300 -0.084 0.000 1.064 330 M CA 1.298 56.535 55.300 -0.105 0.000 1.083 330 M CB -1.475 31.068 32.600 -0.095 0.000 1.399 330 M HN 0.119 nan 8.290 nan 0.000 0.435 331 S N 0.336 115.989 115.700 -0.077 0.000 2.419 331 S HA -0.114 4.359 4.470 0.006 0.000 0.235 331 S C 1.873 176.437 174.600 -0.060 0.000 1.019 331 S CA 1.519 59.683 58.200 -0.060 0.000 0.982 331 S CB -0.340 62.829 63.200 -0.052 0.000 0.789 331 S HN 0.526 nan 8.310 nan 0.000 0.490 332 T N 1.196 115.708 114.554 -0.070 0.000 2.778 332 T HA -0.072 4.281 4.350 0.006 0.000 0.269 332 T C 1.300 175.957 174.700 -0.072 0.000 1.050 332 T CA 1.159 63.215 62.100 -0.073 0.000 1.137 332 T CB -0.090 68.725 68.868 -0.089 0.000 0.860 332 T HN 0.241 nan 8.240 nan 0.000 0.468 333 V N 1.493 121.362 119.914 -0.074 0.000 3.214 333 V HA 0.235 4.358 4.120 0.006 0.000 0.330 333 V C 0.309 176.367 176.094 -0.060 0.000 1.403 333 V CA -0.269 61.988 62.300 -0.073 0.000 1.143 333 V CB -0.590 31.181 31.823 -0.087 0.000 1.098 333 V HN 0.463 nan 8.190 nan 0.000 0.463 334 N N 1.617 120.285 118.700 -0.053 0.000 2.714 334 N HA -0.175 4.568 4.740 0.006 0.000 0.253 334 N C -0.430 175.054 175.510 -0.044 0.000 1.024 334 N CA 0.778 53.802 53.050 -0.044 0.000 0.726 334 N CB -0.624 37.841 38.487 -0.037 0.000 0.908 334 N HN 0.475 nan 8.380 nan 0.000 0.542 335 I N 0.449 120.989 120.570 -0.050 0.000 2.406 335 I HA 0.182 4.356 4.170 0.006 0.000 0.290 335 I C 0.277 176.367 176.117 -0.046 0.000 0.999 335 I CA -0.459 60.813 61.300 -0.047 0.000 1.124 335 I CB 1.916 39.884 38.000 -0.055 0.000 1.289 335 I HN -0.099 nan 8.210 nan 0.000 0.441 336 S N 6.066 121.743 115.700 -0.038 0.000 2.541 336 S HA 0.641 5.114 4.470 0.006 0.000 0.283 336 S C -0.443 174.137 174.600 -0.033 0.000 1.196 336 S CA -0.397 57.782 58.200 -0.034 0.000 1.062 336 S CB 1.320 64.504 63.200 -0.027 0.000 1.009 336 S HN 0.268 nan 8.310 nan 0.000 0.502 337 I N 2.263 122.814 120.570 -0.032 0.000 2.509 337 I HA 0.406 4.580 4.170 0.006 0.000 0.293 337 I C 0.380 176.488 176.117 -0.016 0.000 1.020 337 I CA 0.019 61.303 61.300 -0.027 0.000 1.088 337 I CB 2.233 40.213 38.000 -0.033 0.000 1.267 337 I HN 0.544 nan 8.210 nan 0.000 0.430 338 T N 3.090 117.636 114.554 -0.013 0.000 2.937 338 T HA 0.270 4.623 4.350 0.006 0.000 0.283 338 T C 0.845 175.545 174.700 0.000 0.000 1.012 338 T CA -0.542 61.555 62.100 -0.006 0.000 0.997 338 T CB 0.790 69.654 68.868 -0.008 0.000 1.136 338 T HN 0.447 nan 8.240 nan 0.000 0.551 339 N N 0.257 118.961 118.700 0.006 0.000 2.571 339 N HA -0.015 4.728 4.740 0.006 0.000 0.189 339 N C 1.093 176.600 175.510 -0.004 0.000 1.154 339 N CA 0.412 53.469 53.050 0.011 0.000 0.907 339 N CB 0.056 38.553 38.487 0.017 0.000 0.977 339 N HN 0.616 nan 8.380 nan 0.000 0.449 340 E N -0.001 120.194 120.200 -0.009 0.000 2.479 340 E HA -0.007 4.346 4.350 0.006 0.000 0.193 340 E C -0.062 176.523 176.600 -0.023 0.000 1.049 340 E CA -0.044 56.346 56.400 -0.016 0.000 0.870 340 E CB 0.226 29.918 29.700 -0.013 0.000 0.944 340 E HN 0.292 nan 8.360 nan 0.000 0.492 341 E N 2.140 122.325 120.200 -0.025 0.000 2.376 341 E HA -0.026 4.328 4.350 0.006 0.000 0.266 341 E C -0.775 175.792 176.600 -0.056 0.000 1.009 341 E CA -0.103 56.275 56.400 -0.037 0.000 0.902 341 E CB 0.417 30.096 29.700 -0.034 0.000 0.972 341 E HN -0.125 nan 8.360 nan 0.000 0.439 342 D N 2.913 123.274 120.400 -0.066 0.000 2.308 342 D HA 0.252 4.895 4.640 0.006 0.000 0.251 342 D C -0.901 175.311 176.300 -0.147 0.000 1.127 342 D CA -0.089 53.855 54.000 -0.094 0.000 0.876 342 D CB 1.131 41.886 40.800 -0.075 0.000 1.176 342 D HN 0.099 nan 8.370 nan 0.000 0.446 343 V N 2.480 122.278 119.914 -0.195 0.000 2.709 343 V HA 0.298 4.422 4.120 0.006 0.000 0.308 343 V C -0.156 175.701 176.094 -0.396 0.000 1.062 343 V CA -0.935 61.199 62.300 -0.277 0.000 0.901 343 V CB 2.402 34.097 31.823 -0.213 0.000 1.003 343 V HN 0.220 nan 8.190 nan 0.000 0.425 344 V N 4.846 124.399 119.914 -0.602 0.000 2.333 344 V HA 0.354 4.477 4.120 0.006 0.000 0.274 344 V C -0.090 175.621 176.094 -0.639 0.000 1.028 344 V CA -0.501 61.326 62.300 -0.788 0.000 0.851 344 V CB 1.546 32.646 31.823 -1.205 0.000 1.000 344 V HN 0.608 nan 8.190 nan 0.000 0.456 345 V N 6.380 126.037 119.914 -0.428 0.000 2.348 345 V HA 0.242 4.365 4.120 0.006 0.000 0.270 345 V C 0.322 176.355 176.094 -0.102 0.000 1.037 345 V CA -0.310 61.828 62.300 -0.269 0.000 0.872 345 V CB 0.773 32.458 31.823 -0.230 0.000 1.002 345 V HN 0.807 nan 8.190 nan 0.000 0.464 346 Y N 3.136 123.399 120.300 -0.062 0.000 2.517 346 Y HA 0.381 4.934 4.550 0.006 0.000 0.281 346 Y C 1.548 177.447 175.900 -0.002 0.000 1.125 346 Y CA 0.080 58.183 58.100 0.004 0.000 1.283 346 Y CB 0.276 38.786 38.460 0.084 0.000 1.042 346 Y HN 0.649 nan 8.280 nan 0.000 0.547 347 A N 0.471 123.362 122.820 0.119 0.000 3.355 347 A HA 0.354 4.677 4.320 0.006 0.000 0.290 347 A C -1.775 175.787 177.584 -0.037 0.000 0.973 347 A CA -0.921 51.162 52.037 0.076 0.000 0.933 347 A CB 0.114 19.178 19.000 0.107 0.000 1.138 347 A HN -0.033 nan 8.150 nan 0.000 0.490 348 P HA -0.222 nan 4.420 nan 0.000 0.215 348 P C 1.009 178.257 177.300 -0.087 0.000 1.153 348 P CA 1.422 64.354 63.100 -0.280 0.000 0.853 348 P CB 0.327 32.068 31.700 0.068 0.000 0.788 349 E N -1.034 119.196 120.200 0.050 0.000 2.110 349 E HA -0.209 4.144 4.350 0.006 0.000 0.193 349 E C 2.270 178.913 176.600 0.071 0.000 0.988 349 E CA 0.905 57.356 56.400 0.084 0.000 0.804 349 E CB -0.716 29.036 29.700 0.087 0.000 0.745 349 E HN 0.339 nan 8.360 nan 0.000 0.458 350 Y N 1.612 121.892 120.300 -0.033 0.000 2.145 350 Y HA -0.215 4.339 4.550 0.006 0.000 0.286 350 Y C 1.991 177.867 175.900 -0.039 0.000 1.145 350 Y CA 1.336 59.419 58.100 -0.029 0.000 1.148 350 Y CB -0.126 38.317 38.460 -0.027 0.000 0.981 350 Y HN -0.066 nan 8.280 nan 0.000 0.507 351 L N -0.513 120.592 121.223 -0.197 0.000 2.042 351 L HA -0.256 4.087 4.340 0.006 0.000 0.210 351 L C 2.364 179.168 176.870 -0.111 0.000 1.076 351 L CA 1.899 56.579 54.840 -0.266 0.000 0.749 351 L CB -0.973 40.807 42.059 -0.464 0.000 0.893 351 L HN 0.285 nan 8.230 nan 0.000 0.432 352 T N -0.369 114.196 114.554 0.018 0.000 2.674 352 T HA -0.191 4.162 4.350 0.006 0.000 0.265 352 T C 1.873 176.576 174.700 0.005 0.000 1.039 352 T CA 1.320 63.493 62.100 0.122 0.000 1.150 352 T CB -0.103 68.870 68.868 0.174 0.000 0.864 352 T HN 0.289 nan 8.240 nan 0.000 0.427 353 K N 0.553 120.921 120.400 -0.052 0.000 2.209 353 K HA 0.022 4.345 4.320 0.006 0.000 0.204 353 K C 2.084 178.602 176.600 -0.136 0.000 1.048 353 K CA 0.561 56.807 56.287 -0.068 0.000 0.940 353 K CB -0.267 32.205 32.500 -0.047 0.000 0.729 353 K HN 0.108 nan 8.250 nan 0.000 0.451 354 L N 2.018 123.074 121.223 -0.278 0.000 2.083 354 L HA -0.164 4.179 4.340 0.006 0.000 0.209 354 L C 2.221 179.003 176.870 -0.148 0.000 1.083 354 L CA 1.722 56.371 54.840 -0.318 0.000 0.752 354 L CB -0.405 41.325 42.059 -0.548 0.000 0.899 354 L HN 0.052 nan 8.230 nan 0.000 0.433 355 K N -0.370 119.980 120.400 -0.084 0.000 2.015 355 K HA -0.205 4.118 4.320 0.006 0.000 0.216 355 K C -0.555 176.040 176.600 -0.008 0.000 1.052 355 K CA 2.323 58.595 56.287 -0.024 0.000 0.937 355 K CB -1.121 31.395 32.500 0.026 0.000 0.719 355 K HN 0.278 nan 8.250 nan 0.000 0.446 356 P HA -0.067 nan 4.420 nan 0.000 0.221 356 P C 1.036 178.353 177.300 0.029 0.000 1.150 356 P CA 1.051 64.158 63.100 0.012 0.000 0.800 356 P CB 0.075 31.782 31.700 0.011 0.000 0.787 357 I N -1.409 119.177 120.570 0.028 0.000 2.193 357 I HA -0.184 3.989 4.170 0.006 0.000 0.240 357 I C 1.806 178.031 176.117 0.180 0.000 1.084 357 I CA 1.094 62.450 61.300 0.094 0.000 1.365 357 I CB -0.710 37.315 38.000 0.041 0.000 1.064 357 I HN -0.132 nan 8.210 nan 0.000 0.410 358 L N 0.744 122.019 121.223 0.086 0.000 2.265 358 L HA -0.165 4.178 4.340 0.006 0.000 0.215 358 L C 2.779 179.729 176.870 0.133 0.000 1.117 358 L CA 2.191 57.096 54.840 0.109 0.000 0.782 358 L CB -1.643 40.410 42.059 -0.010 0.000 0.914 358 L HN 0.451 nan 8.230 nan 0.000 0.441 359 T N -4.560 110.042 114.554 0.079 0.000 2.995 359 T HA -0.119 4.234 4.350 0.006 0.000 0.269 359 T C 1.690 176.399 174.700 0.015 0.000 1.091 359 T CA 0.594 62.722 62.100 0.048 0.000 1.128 359 T CB -0.117 68.766 68.868 0.025 0.000 0.891 359 T HN 0.081 nan 8.240 nan 0.000 0.492 360 K N 0.377 120.772 120.400 -0.009 0.000 2.444 360 K HA 0.207 4.530 4.320 0.006 0.000 0.193 360 K C -0.686 175.660 176.600 -0.423 0.000 1.024 360 K CA 0.134 56.292 56.287 -0.215 0.000 1.077 360 K CB 0.040 32.352 32.500 -0.312 0.000 0.833 360 K HN 0.550 nan 8.250 nan 0.000 0.517 361 Y N 0.041 120.326 120.300 -0.025 0.000 2.446 361 Y HA 0.136 4.689 4.550 0.005 0.000 0.345 361 Y C 0.709 176.577 175.900 -0.054 0.000 0.984 361 Y CA -1.113 56.963 58.100 -0.041 0.000 1.058 361 Y CB 1.464 39.900 38.460 -0.040 0.000 1.220 361 Y HN -0.138 nan 8.280 nan 0.000 0.455 362 S N 0.665 116.403 115.700 0.063 0.000 2.614 362 S HA 0.470 4.944 4.470 0.006 0.000 0.265 362 S C 1.217 175.732 174.600 -0.141 0.000 1.303 362 S CA -0.248 57.933 58.200 -0.033 0.000 1.000 362 S CB 1.404 64.569 63.200 -0.058 0.000 0.935 362 S HN 0.899 nan 8.310 nan 0.000 0.551 363 A N 1.138 123.787 122.820 -0.285 0.000 1.978 363 A HA -0.138 4.186 4.320 0.006 0.000 0.220 363 A C 2.273 179.381 177.584 -0.793 0.000 1.170 363 A CA 1.678 53.243 52.037 -0.787 0.000 0.636 363 A CB -0.858 17.530 19.000 -1.019 0.000 0.810 363 A HN 0.933 nan 8.150 nan 0.000 0.448 364 R N -0.375 119.773 120.500 -0.586 0.000 2.075 364 R HA -0.156 4.187 4.340 0.006 0.000 0.232 364 R C 1.319 177.310 176.300 -0.516 0.000 1.126 364 R CA 1.790 57.409 56.100 -0.803 0.000 0.963 364 R CB -0.351 29.676 30.300 -0.456 0.000 0.858 364 R HN 0.462 nan 8.270 nan 0.000 0.435 365 D N 0.780 121.021 120.400 -0.265 0.000 2.097 365 D HA -0.154 4.489 4.640 0.006 0.000 0.195 365 D C 2.082 178.305 176.300 -0.130 0.000 0.989 365 D CA 1.179 55.106 54.000 -0.122 0.000 0.827 365 D CB -0.213 40.642 40.800 0.092 0.000 0.966 365 D HN 0.275 nan 8.370 nan 0.000 0.456 366 L N 0.336 121.484 121.223 -0.126 0.000 2.017 366 L HA -0.211 4.132 4.340 0.006 0.000 0.208 366 L C 2.565 179.446 176.870 0.019 0.000 1.073 366 L CA 1.045 55.861 54.840 -0.040 0.000 0.745 366 L CB -0.380 41.720 42.059 0.069 0.000 0.894 366 L HN -0.016 nan 8.230 nan 0.000 0.432 367 Q N 0.412 120.170 119.800 -0.070 0.000 2.167 367 Q HA -0.161 4.182 4.340 0.006 0.000 0.202 367 Q C 1.829 177.874 176.000 0.075 0.000 0.970 367 Q CA 1.608 57.435 55.803 0.039 0.000 0.855 367 Q CB -0.205 28.483 28.738 -0.083 0.000 0.911 367 Q HN 0.457 nan 8.270 nan 0.000 0.438 368 N N -0.996 117.688 118.700 -0.026 0.000 2.104 368 N HA -0.172 4.571 4.740 0.006 0.000 0.190 368 N C 1.402 177.133 175.510 0.369 0.000 1.024 368 N CA 1.047 54.207 53.050 0.183 0.000 0.853 368 N CB -0.072 38.369 38.487 -0.076 0.000 1.008 368 N HN 0.217 nan 8.380 nan 0.000 0.424 369 L N 0.750 122.082 121.223 0.180 0.000 2.023 369 L HA 0.001 4.344 4.340 0.006 0.000 0.205 369 L C 2.007 179.001 176.870 0.207 0.000 1.073 369 L CA 1.426 56.392 54.840 0.211 0.000 0.745 369 L CB -0.484 41.633 42.059 0.096 0.000 0.900 369 L HN 0.182 nan 8.230 nan 0.000 0.435 370 M N -0.827 118.864 119.600 0.152 0.000 2.073 370 M HA -0.250 4.233 4.480 0.006 0.000 0.258 370 M C 2.258 178.616 176.300 0.096 0.000 1.070 370 M CA 2.300 57.677 55.300 0.129 0.000 1.103 370 M CB -0.503 32.196 32.600 0.164 0.000 1.321 370 M HN 0.308 nan 8.290 nan 0.000 0.405 371 S N -0.622 115.132 115.700 0.090 0.000 2.406 371 S HA -0.138 4.335 4.470 0.006 0.000 0.228 371 S C 1.376 175.774 174.600 -0.337 0.000 1.020 371 S CA 0.735 58.900 58.200 -0.058 0.000 0.965 371 S CB -0.430 62.746 63.200 -0.040 0.000 0.798 371 S HN 0.644 nan 8.310 nan 0.000 0.488 372 W N 3.017 124.000 121.300 -0.527 0.000 2.335 372 W HA -0.177 4.486 4.660 0.005 0.000 0.311 372 W C 1.737 178.057 176.519 -0.331 0.000 1.213 372 W CA 1.015 57.988 57.345 -0.620 0.000 1.274 372 W CB -0.219 29.103 29.460 -0.231 0.000 1.148 372 W HN 0.173 nan 8.180 nan 0.000 0.498 373 R N -0.210 120.073 120.500 -0.363 0.000 2.170 373 R HA -0.212 4.131 4.340 0.006 0.000 0.242 373 R C 2.005 178.154 176.300 -0.251 0.000 1.145 373 R CA 1.511 57.404 56.100 -0.345 0.000 0.984 373 R CB -1.428 28.839 30.300 -0.054 0.000 0.869 373 R HN 0.302 nan 8.270 nan 0.000 0.455 374 F N 0.795 120.520 119.950 -0.374 0.000 2.262 374 F HA 0.109 4.640 4.527 0.006 0.000 0.292 374 F C 2.077 177.638 175.800 -0.398 0.000 1.081 374 F CA 0.211 58.026 58.000 -0.309 0.000 1.355 374 F CB -0.445 38.410 39.000 -0.241 0.000 1.069 374 F HN -0.203 nan 8.300 nan 0.000 0.506 375 I N 1.094 121.307 120.570 -0.596 0.000 2.264 375 I HA -0.368 3.805 4.170 0.006 0.000 0.248 375 I C 2.594 178.288 176.117 -0.704 0.000 1.111 375 I CA 1.799 62.678 61.300 -0.701 0.000 1.382 375 I CB -0.558 37.002 38.000 -0.733 0.000 1.060 375 I HN 0.249 nan 8.210 nan 0.000 0.418 376 M N -0.548 118.414 119.600 -1.063 0.000 2.279 376 M HA -0.159 4.324 4.480 0.006 0.000 0.264 376 M C 0.906 177.010 176.300 -0.328 0.000 1.062 376 M CA 1.790 56.502 55.300 -0.980 0.000 1.099 376 M CB -0.611 31.107 32.600 -1.471 0.000 1.394 376 M HN 0.022 nan 8.290 nan 0.000 0.426 377 D N 1.150 121.370 120.400 -0.300 0.000 2.323 377 D HA 0.137 4.780 4.640 0.006 0.000 0.209 377 D C 2.020 178.237 176.300 -0.139 0.000 0.973 377 D CA 0.880 54.806 54.000 -0.123 0.000 0.874 377 D CB 0.116 40.886 40.800 -0.050 0.000 0.930 377 D HN 0.459 nan 8.370 nan 0.000 0.521 378 L N -0.496 120.580 121.223 -0.245 0.000 2.408 378 L HA 0.088 4.432 4.340 0.006 0.000 0.215 378 L C 2.265 179.130 176.870 -0.009 0.000 1.081 378 L CA 0.043 54.783 54.840 -0.166 0.000 0.840 378 L CB 0.044 41.941 42.059 -0.270 0.000 1.002 378 L HN -0.153 nan 8.230 nan 0.000 0.468 379 V N 0.662 120.567 119.914 -0.015 0.000 2.370 379 V HA -0.335 3.788 4.120 0.006 0.000 0.252 379 V C 2.612 178.802 176.094 0.160 0.000 1.068 379 V CA 2.464 64.829 62.300 0.110 0.000 1.061 379 V CB -0.171 31.811 31.823 0.264 0.000 0.656 379 V HN 0.697 nan 8.190 nan 0.000 0.455 380 S N -1.960 113.821 115.700 0.134 0.000 2.561 380 S HA -0.005 4.469 4.470 0.006 0.000 0.225 380 S C 1.562 176.229 174.600 0.112 0.000 0.977 380 S CA 0.974 59.244 58.200 0.117 0.000 0.926 380 S CB 0.100 63.354 63.200 0.090 0.000 0.769 380 S HN 0.521 nan 8.310 nan 0.000 0.533 381 S N 0.805 116.590 115.700 0.142 0.000 2.540 381 S HA 0.452 4.926 4.470 0.006 0.000 0.218 381 S C 0.431 175.180 174.600 0.249 0.000 0.977 381 S CA -0.417 57.925 58.200 0.237 0.000 0.918 381 S CB -0.088 63.225 63.200 0.188 0.000 0.806 381 S HN 0.421 nan 8.310 nan 0.000 0.496 382 L N 0.800 122.101 121.223 0.130 0.000 2.687 382 L HA 0.470 4.814 4.340 0.006 0.000 0.252 382 L C 0.982 177.913 176.870 0.103 0.000 1.115 382 L CA -0.915 53.942 54.840 0.028 0.000 0.893 382 L CB 0.321 42.270 42.059 -0.183 0.000 1.670 382 L HN 0.157 nan 8.230 nan 0.000 0.531 383 S N -0.488 115.293 115.700 0.134 0.000 2.587 383 S HA -0.009 4.464 4.470 0.006 0.000 0.260 383 S C 0.920 175.609 174.600 0.148 0.000 1.353 383 S CA -0.261 58.024 58.200 0.141 0.000 0.995 383 S CB 0.775 64.067 63.200 0.152 0.000 0.912 383 S HN 0.586 nan 8.310 nan 0.000 0.568 384 R N 0.946 121.496 120.500 0.083 0.000 2.113 384 R HA -0.108 4.235 4.340 0.006 0.000 0.244 384 R C 2.250 178.581 176.300 0.052 0.000 1.142 384 R CA 2.618 58.752 56.100 0.056 0.000 0.953 384 R CB -1.834 28.483 30.300 0.028 0.000 0.860 384 R HN 0.880 nan 8.270 nan 0.000 0.438 385 T N -0.108 114.462 114.554 0.027 0.000 2.699 385 T HA -0.187 4.167 4.350 0.006 0.000 0.268 385 T C 1.543 176.185 174.700 -0.097 0.000 1.036 385 T CA 1.897 63.961 62.100 -0.061 0.000 1.147 385 T CB -0.476 68.309 68.868 -0.137 0.000 0.862 385 T HN 0.264 nan 8.240 nan 0.000 0.446 386 Y N 1.341 121.675 120.300 0.056 0.000 2.200 386 Y HA 0.006 4.559 4.550 0.006 0.000 0.290 386 Y C 2.517 178.481 175.900 0.107 0.000 1.137 386 Y CA 0.819 58.971 58.100 0.088 0.000 1.163 386 Y CB -0.187 38.310 38.460 0.062 0.000 0.988 386 Y HN 0.113 nan 8.280 nan 0.000 0.518 387 K N 0.240 120.766 120.400 0.211 0.000 2.063 387 K HA -0.227 4.097 4.320 0.006 0.000 0.208 387 K C 1.827 178.480 176.600 0.088 0.000 1.048 387 K CA 1.906 58.275 56.287 0.137 0.000 0.928 387 K CB -0.240 32.311 32.500 0.086 0.000 0.713 387 K HN 0.442 nan 8.250 nan 0.000 0.442 388 E N 0.508 120.744 120.200 0.060 0.000 2.204 388 E HA -0.145 4.208 4.350 0.006 0.000 0.195 388 E C 1.961 178.577 176.600 0.026 0.000 0.990 388 E CA 1.300 57.717 56.400 0.027 0.000 0.821 388 E CB -0.035 29.671 29.700 0.012 0.000 0.750 388 E HN 0.313 nan 8.360 nan 0.000 0.477 389 S N 0.744 116.487 115.700 0.073 0.000 2.474 389 S HA -0.145 4.328 4.470 0.006 0.000 0.235 389 S C 1.857 176.430 174.600 -0.045 0.000 0.997 389 S CA 0.758 59.031 58.200 0.121 0.000 0.949 389 S CB -0.028 63.343 63.200 0.285 0.000 0.766 389 S HN 0.128 nan 8.310 nan 0.000 0.517 390 R N 0.768 121.162 120.500 -0.177 0.000 2.300 390 R HA 0.177 4.521 4.340 0.006 0.000 0.199 390 R C 1.366 177.520 176.300 -0.243 0.000 0.920 390 R CA 0.343 56.090 56.100 -0.589 0.000 1.046 390 R CB -0.193 29.939 30.300 -0.279 0.000 0.984 390 R HN 0.318 nan 8.270 nan 0.000 0.493 391 N N 1.440 120.082 118.700 -0.097 0.000 2.021 391 N HA -0.244 4.499 4.740 0.006 0.000 0.198 391 N C 1.552 177.064 175.510 0.003 0.000 1.041 391 N CA 2.187 55.221 53.050 -0.026 0.000 0.862 391 N CB -0.494 37.988 38.487 -0.008 0.000 1.048 391 N HN 0.308 nan 8.380 nan 0.000 0.427 392 A N -0.051 122.780 122.820 0.018 0.000 1.930 392 A HA -0.070 4.254 4.320 0.006 0.000 0.217 392 A C 2.195 179.843 177.584 0.107 0.000 1.175 392 A CA 0.933 53.007 52.037 0.062 0.000 0.627 392 A CB -0.943 18.106 19.000 0.082 0.000 0.815 392 A HN 0.349 nan 8.150 nan 0.000 0.443 393 F N 1.433 121.342 119.950 -0.069 0.000 2.075 393 F HA -0.274 4.257 4.527 0.006 0.000 0.297 393 F C 2.600 178.405 175.800 0.008 0.000 1.113 393 F CA 2.213 60.203 58.000 -0.016 0.000 1.218 393 F CB -0.124 38.806 39.000 -0.117 0.000 0.984 393 F HN 0.319 nan 8.300 nan 0.000 0.472 394 R N 0.800 121.312 120.500 0.020 0.000 2.096 394 R HA -0.182 4.161 4.340 0.006 0.000 0.235 394 R C 2.217 178.549 176.300 0.052 0.000 1.127 394 R CA 1.895 58.029 56.100 0.056 0.000 0.968 394 R CB -0.747 29.652 30.300 0.166 0.000 0.861 394 R HN 0.306 nan 8.270 nan 0.000 0.440 395 K N 0.640 121.056 120.400 0.025 0.000 2.057 395 K HA -0.076 4.247 4.320 0.006 0.000 0.207 395 K C 2.133 178.727 176.600 -0.011 0.000 1.049 395 K CA 1.401 57.704 56.287 0.027 0.000 0.931 395 K CB -0.253 32.261 32.500 0.024 0.000 0.714 395 K HN 0.304 nan 8.250 nan 0.000 0.440 396 A N 1.233 124.025 122.820 -0.048 0.000 1.902 396 A HA -0.109 4.215 4.320 0.006 0.000 0.217 396 A C 2.067 179.566 177.584 -0.142 0.000 1.181 396 A CA 1.320 53.322 52.037 -0.058 0.000 0.623 396 A CB -0.486 18.504 19.000 -0.017 0.000 0.818 396 A HN 0.328 nan 8.150 nan 0.000 0.443 397 L N -3.004 117.998 121.223 -0.368 0.000 2.209 397 L HA -0.026 4.317 4.340 0.006 0.000 0.207 397 L C 1.882 178.385 176.870 -0.611 0.000 1.094 397 L CA 1.082 55.542 54.840 -0.633 0.000 0.790 397 L CB -0.299 41.051 42.059 -1.182 0.000 0.932 397 L HN 0.515 nan 8.230 nan 0.000 0.447 398 Y N -1.083 119.226 120.300 0.017 0.000 2.430 398 Y HA 0.345 4.898 4.550 0.005 0.000 0.254 398 Y C 1.811 177.751 175.900 0.066 0.000 1.088 398 Y CA 0.220 58.367 58.100 0.078 0.000 1.267 398 Y CB 0.400 38.836 38.460 -0.041 0.000 1.204 398 Y HN 0.153 nan 8.280 nan 0.000 0.515 399 G N 0.883 109.764 108.800 0.135 0.000 2.179 399 G HA2 -0.325 3.638 3.960 0.006 0.000 0.260 399 G HA3 -0.325 3.638 3.960 0.006 0.000 0.260 399 G C 0.422 175.364 174.900 0.070 0.000 0.977 399 G CA 0.475 45.629 45.100 0.091 0.000 0.641 399 G HN 0.441 nan 8.290 nan 0.000 0.533 400 T N -0.927 113.677 114.554 0.083 0.000 2.907 400 T HA 0.511 4.864 4.350 0.006 0.000 0.298 400 T C 1.403 176.113 174.700 0.016 0.000 1.017 400 T CA 0.911 63.029 62.100 0.029 0.000 1.118 400 T CB 1.574 70.443 68.868 0.001 0.000 0.948 400 T HN 0.938 nan 8.240 nan 0.000 0.531 401 T N -1.366 113.186 114.554 -0.004 0.000 3.054 401 T HA 0.349 4.702 4.350 0.006 0.000 0.255 401 T C 0.599 175.290 174.700 -0.015 0.000 1.035 401 T CA -0.188 61.908 62.100 -0.006 0.000 0.941 401 T CB 0.147 69.009 68.868 -0.010 0.000 1.026 401 T HN 0.672 nan 8.240 nan 0.000 0.533 402 S N -0.065 115.619 115.700 -0.027 0.000 2.579 402 S HA 0.446 4.919 4.470 0.006 0.000 0.272 402 S C -1.728 172.842 174.600 -0.050 0.000 1.141 402 S CA -0.768 57.411 58.200 -0.035 0.000 0.843 402 S CB 1.898 65.073 63.200 -0.041 0.000 1.122 402 S HN 0.393 nan 8.310 nan 0.000 0.468 403 E N 1.409 121.577 120.200 -0.053 0.000 2.343 403 E HA 0.322 4.676 4.350 0.006 0.000 0.269 403 E C -0.229 176.312 176.600 -0.099 0.000 1.047 403 E CA -0.421 55.936 56.400 -0.072 0.000 0.874 403 E CB 0.835 30.500 29.700 -0.059 0.000 1.033 403 E HN 0.560 nan 8.360 nan 0.000 0.409 404 T N 1.690 116.167 114.554 -0.129 0.000 2.906 404 T HA 0.122 4.476 4.350 0.006 0.000 0.320 404 T C 0.247 174.825 174.700 -0.203 0.000 1.088 404 T CA -0.326 61.670 62.100 -0.173 0.000 1.120 404 T CB 0.629 69.383 68.868 -0.190 0.000 1.000 404 T HN 0.582 nan 8.240 nan 0.000 0.550 405 A N 2.929 125.580 122.820 -0.281 0.000 2.587 405 A HA 0.109 4.433 4.320 0.006 0.000 0.233 405 A C 1.768 179.156 177.584 -0.328 0.000 1.049 405 A CA 0.059 51.902 52.037 -0.323 0.000 0.754 405 A CB -0.269 18.404 19.000 -0.546 0.000 0.977 405 A HN 0.939 nan 8.150 nan 0.000 0.509 406 T N 2.611 117.064 114.554 -0.167 0.000 2.684 406 T HA -0.186 4.168 4.350 0.006 0.000 0.267 406 T C 1.666 176.327 174.700 -0.066 0.000 1.036 406 T CA 1.976 64.007 62.100 -0.116 0.000 1.148 406 T CB -0.318 68.504 68.868 -0.077 0.000 0.863 406 T HN 0.939 nan 8.240 nan 0.000 0.436 407 W N 2.258 123.532 121.300 -0.042 0.000 2.374 407 W HA -0.080 4.583 4.660 0.006 0.000 0.288 407 W C 1.753 178.338 176.519 0.110 0.000 1.218 407 W CA 0.518 57.883 57.345 0.033 0.000 1.245 407 W CB -0.794 28.724 29.460 0.097 0.000 1.126 407 W HN 0.226 nan 8.180 nan 0.000 0.545 408 R N 0.664 120.837 120.500 -0.544 0.000 2.073 408 R HA -0.008 4.335 4.340 0.006 0.000 0.229 408 R C 2.634 178.841 176.300 -0.154 0.000 1.120 408 R CA 1.474 57.263 56.100 -0.519 0.000 0.967 408 R CB -0.394 29.397 30.300 -0.849 0.000 0.862 408 R HN 0.134 nan 8.270 nan 0.000 0.436 409 R N 0.032 120.441 120.500 -0.152 0.000 2.096 409 R HA -0.099 4.245 4.340 0.006 0.000 0.235 409 R C 2.363 178.692 176.300 0.050 0.000 1.127 409 R CA 1.437 57.503 56.100 -0.056 0.000 0.968 409 R CB -0.447 29.804 30.300 -0.082 0.000 0.861 409 R HN 0.270 nan 8.270 nan 0.000 0.440 410 c N 0.205 118.838 118.600 0.055 0.000 2.466 410 c HA 0.020 4.593 4.570 0.006 0.000 0.278 410 c C 2.990 177.280 174.090 0.333 0.000 1.288 410 c CA 0.621 57.031 56.329 0.134 0.000 1.722 410 c CB -0.917 41.551 42.510 -0.069 0.000 2.017 410 c HN 0.583 nan 8.230 nan 0.000 0.488 411 A N 1.553 124.611 122.820 0.396 0.000 1.908 411 A HA -0.211 4.112 4.320 0.006 0.000 0.218 411 A C 1.930 179.610 177.584 0.160 0.000 1.181 411 A CA 2.072 54.289 52.037 0.300 0.000 0.627 411 A CB -0.637 18.537 19.000 0.290 0.000 0.818 411 A HN 0.666 nan 8.150 nan 0.000 0.445 412 N N -1.560 117.215 118.700 0.125 0.000 2.120 412 N HA -0.167 4.576 4.740 0.006 0.000 0.188 412 N C 1.633 177.193 175.510 0.084 0.000 1.024 412 N CA 1.713 54.804 53.050 0.069 0.000 0.852 412 N CB -0.619 37.891 38.487 0.038 0.000 1.003 412 N HN 0.699 nan 8.380 nan 0.000 0.424 413 Y N 1.735 122.062 120.300 0.045 0.000 2.145 413 Y HA -0.193 4.361 4.550 0.005 0.000 0.286 413 Y C 2.403 178.329 175.900 0.044 0.000 1.145 413 Y CA 1.551 59.683 58.100 0.053 0.000 1.148 413 Y CB -0.331 38.183 38.460 0.090 0.000 0.981 413 Y HN -0.077 nan 8.280 nan 0.000 0.507 414 V N 0.125 120.071 119.914 0.053 0.000 2.667 414 V HA -0.216 3.907 4.120 0.006 0.000 0.252 414 V C 1.880 177.911 176.094 -0.105 0.000 1.065 414 V CA 2.370 64.630 62.300 -0.066 0.000 1.083 414 V CB -0.953 30.907 31.823 0.062 0.000 0.692 414 V HN 0.651 nan 8.190 nan 0.000 0.468 415 N N 0.553 119.219 118.700 -0.057 0.000 2.188 415 N HA -0.085 4.658 4.740 0.006 0.000 0.184 415 N C 1.847 177.308 175.510 -0.082 0.000 1.018 415 N CA 1.280 54.294 53.050 -0.060 0.000 0.858 415 N CB -0.370 38.090 38.487 -0.045 0.000 0.989 415 N HN 0.604 nan 8.380 nan 0.000 0.426 416 G N -0.033 108.694 108.800 -0.122 0.000 2.464 416 G HA2 -0.108 3.855 3.960 0.006 0.000 0.217 416 G HA3 -0.108 3.855 3.960 0.006 0.000 0.217 416 G C 1.340 176.150 174.900 -0.150 0.000 1.138 416 G CA 0.315 45.340 45.100 -0.125 0.000 0.793 416 G HN 0.354 nan 8.290 nan 0.000 0.539 417 N N -0.199 118.356 118.700 -0.242 0.000 2.356 417 N HA 0.154 4.897 4.740 0.006 0.000 0.178 417 N C 0.629 176.126 175.510 -0.022 0.000 1.075 417 N CA 0.315 53.261 53.050 -0.174 0.000 0.889 417 N CB 0.420 38.687 38.487 -0.367 0.000 0.999 417 N HN 0.285 nan 8.380 nan 0.000 0.464 418 M N 0.982 120.552 119.600 -0.049 0.000 3.287 418 M HA 0.116 4.599 4.480 0.006 0.000 0.336 418 M C 0.744 177.069 176.300 0.041 0.000 1.573 418 M CA -0.102 55.195 55.300 -0.006 0.000 0.609 418 M CB 1.043 33.460 32.600 -0.304 0.000 1.421 418 M HN 0.033 nan 8.290 nan 0.000 0.476 419 E N -0.214 120.026 120.200 0.065 0.000 2.209 419 E HA -0.207 4.147 4.350 0.006 0.000 0.196 419 E C 0.792 177.416 176.600 0.040 0.000 0.993 419 E CA 1.483 57.900 56.400 0.028 0.000 0.819 419 E CB 0.007 29.713 29.700 0.009 0.000 0.745 419 E HN 0.501 nan 8.360 nan 0.000 0.477 420 N N 1.124 119.890 118.700 0.111 0.000 2.290 420 N HA 0.026 4.769 4.740 0.006 0.000 0.179 420 N C 1.810 177.376 175.510 0.093 0.000 1.016 420 N CA 1.373 54.468 53.050 0.075 0.000 0.871 420 N CB -0.256 38.267 38.487 0.061 0.000 0.987 420 N HN 0.323 nan 8.380 nan 0.000 0.431 421 A N 0.780 123.696 122.820 0.160 0.000 1.873 421 A HA -0.055 4.268 4.320 0.006 0.000 0.215 421 A C 2.385 179.969 177.584 0.001 0.000 1.186 421 A CA 1.336 53.413 52.037 0.066 0.000 0.616 421 A CB -0.769 18.188 19.000 -0.070 0.000 0.823 421 A HN 0.082 nan 8.150 nan 0.000 0.442 422 V N 0.007 119.912 119.914 -0.015 0.000 2.515 422 V HA -0.125 3.999 4.120 0.006 0.000 0.250 422 V C 2.763 178.868 176.094 0.019 0.000 1.058 422 V CA 1.710 64.001 62.300 -0.015 0.000 1.064 422 V CB -1.435 30.368 31.823 -0.033 0.000 0.675 422 V HN 0.607 nan 8.190 nan 0.000 0.461 423 G N 0.050 108.855 108.800 0.010 0.000 2.422 423 G HA2 -0.284 3.679 3.960 0.006 0.000 0.218 423 G HA3 -0.284 3.679 3.960 0.006 0.000 0.218 423 G C 1.703 176.593 174.900 -0.016 0.000 1.146 423 G CA 0.910 46.021 45.100 0.019 0.000 0.769 423 G HN 0.468 nan 8.290 nan 0.000 0.547 424 R N 0.082 120.555 120.500 -0.044 0.000 2.073 424 R HA 0.044 4.387 4.340 0.006 0.000 0.234 424 R C 2.483 178.732 176.300 -0.086 0.000 1.134 424 R CA 1.179 57.225 56.100 -0.091 0.000 0.952 424 R CB -0.414 29.862 30.300 -0.039 0.000 0.850 424 R HN 0.388 nan 8.270 nan 0.000 0.433 425 L N -0.240 120.962 121.223 -0.035 0.000 2.046 425 L HA -0.184 4.160 4.340 0.006 0.000 0.208 425 L C 2.548 179.402 176.870 -0.027 0.000 1.077 425 L CA 1.337 56.157 54.840 -0.033 0.000 0.747 425 L CB -0.749 41.297 42.059 -0.021 0.000 0.896 425 L HN 0.250 nan 8.230 nan 0.000 0.432 426 Y N 1.108 121.356 120.300 -0.088 0.000 2.114 426 Y HA -0.253 4.300 4.550 0.006 0.000 0.284 426 Y C 2.543 178.402 175.900 -0.069 0.000 1.143 426 Y CA 1.988 60.048 58.100 -0.068 0.000 1.135 426 Y CB -0.487 37.936 38.460 -0.062 0.000 0.980 426 Y HN 0.039 nan 8.280 nan 0.000 0.499 427 V N -1.577 118.176 119.914 -0.269 0.000 2.427 427 V HA -0.196 3.927 4.120 0.006 0.000 0.248 427 V C 1.889 177.828 176.094 -0.259 0.000 1.051 427 V CA 2.131 64.227 62.300 -0.341 0.000 1.048 427 V CB -0.849 30.642 31.823 -0.553 0.000 0.666 427 V HN 0.462 nan 8.190 nan 0.000 0.456 428 E N 1.212 121.280 120.200 -0.220 0.000 2.110 428 E HA -0.097 4.257 4.350 0.006 0.000 0.193 428 E C 2.359 178.878 176.600 -0.135 0.000 0.988 428 E CA 1.423 57.735 56.400 -0.147 0.000 0.804 428 E CB -0.295 29.341 29.700 -0.107 0.000 0.745 428 E HN 0.744 nan 8.360 nan 0.000 0.458 429 A N 0.851 123.572 122.820 -0.165 0.000 1.898 429 A HA 0.152 4.475 4.320 0.006 0.000 0.214 429 A C 2.094 179.569 177.584 -0.181 0.000 1.183 429 A CA 1.408 53.356 52.037 -0.147 0.000 0.622 429 A CB 0.062 18.991 19.000 -0.120 0.000 0.824 429 A HN 0.243 nan 8.150 nan 0.000 0.444 430 A N -2.676 119.951 122.820 -0.322 0.000 2.508 430 A HA 0.555 4.878 4.320 0.006 0.000 0.250 430 A C 0.065 177.559 177.584 -0.150 0.000 1.208 430 A CA -0.276 51.585 52.037 -0.293 0.000 0.960 430 A CB 0.078 18.825 19.000 -0.421 0.000 1.099 430 A HN 0.426 nan 8.150 nan 0.000 0.542 431 F N 0.916 120.678 119.950 -0.313 0.000 2.467 431 F HA 0.641 5.172 4.527 0.006 0.000 0.336 431 F C 0.172 175.942 175.800 -0.050 0.000 1.123 431 F CA -1.032 56.884 58.000 -0.140 0.000 0.964 431 F CB 1.399 40.333 39.000 -0.111 0.000 1.136 431 F HN 0.072 nan 8.300 nan 0.000 0.447 432 A N 4.426 126.892 122.820 -0.590 0.000 2.310 432 A HA 0.413 4.736 4.320 0.006 0.000 0.300 432 A C 1.238 178.408 177.584 -0.689 0.000 1.269 432 A CA 0.145 51.908 52.037 -0.457 0.000 0.909 432 A CB 0.214 19.044 19.000 -0.282 0.000 1.144 432 A HN 1.160 nan 8.150 nan 0.000 0.540 433 G N 1.042 109.654 108.800 -0.314 0.000 2.499 433 G HA2 -0.192 3.771 3.960 0.006 0.000 0.221 433 G HA3 -0.192 3.771 3.960 0.006 0.000 0.221 433 G C 0.991 175.812 174.900 -0.132 0.000 1.109 433 G CA 0.786 45.812 45.100 -0.122 0.000 0.749 433 G HN 0.750 nan 8.290 nan 0.000 0.568 434 E N 0.562 120.703 120.200 -0.099 0.000 2.478 434 E HA 0.017 4.371 4.350 0.006 0.000 0.198 434 E C 2.446 179.061 176.600 0.024 0.000 1.046 434 E CA 0.200 56.617 56.400 0.029 0.000 0.870 434 E CB 0.099 29.831 29.700 0.053 0.000 0.818 434 E HN 0.367 nan 8.360 nan 0.000 0.527 435 S N 0.548 116.194 115.700 -0.091 0.000 2.414 435 S HA -0.037 4.436 4.470 0.006 0.000 0.227 435 S C 1.738 176.372 174.600 0.057 0.000 1.022 435 S CA 0.467 58.712 58.200 0.074 0.000 0.958 435 S CB 0.141 63.374 63.200 0.054 0.000 0.797 435 S HN 0.222 nan 8.310 nan 0.000 0.493 436 K N 0.636 121.039 120.400 0.005 0.000 2.089 436 K HA -0.179 4.145 4.320 0.006 0.000 0.210 436 K C 1.927 178.455 176.600 -0.120 0.000 1.048 436 K CA 1.521 57.788 56.287 -0.033 0.000 0.926 436 K CB -0.312 32.102 32.500 -0.143 0.000 0.714 436 K HN 0.466 nan 8.250 nan 0.000 0.448 437 H N -0.121 118.978 119.070 0.048 0.000 2.357 437 H HA -0.073 4.487 4.556 0.006 0.000 0.301 437 H C 2.315 177.655 175.328 0.020 0.000 1.082 437 H CA 1.243 57.311 56.048 0.033 0.000 1.342 437 H CB -0.395 29.390 29.762 0.038 0.000 1.389 437 H HN -0.028 nan 8.280 nan 0.000 0.511 438 V N 0.667 120.670 119.914 0.149 0.000 2.295 438 V HA -0.191 3.932 4.120 0.006 0.000 0.246 438 V C 2.824 178.887 176.094 -0.051 0.000 1.049 438 V CA 1.283 63.650 62.300 0.111 0.000 1.024 438 V CB -0.686 31.298 31.823 0.268 0.000 0.648 438 V HN 0.165 nan 8.190 nan 0.000 0.447 439 V N -0.222 119.563 119.914 -0.214 0.000 2.343 439 V HA -0.286 3.837 4.120 0.006 0.000 0.247 439 V C 2.422 178.398 176.094 -0.197 0.000 1.051 439 V CA 2.100 64.180 62.300 -0.366 0.000 1.036 439 V CB -0.675 30.885 31.823 -0.439 0.000 0.654 439 V HN 0.592 nan 8.190 nan 0.000 0.451 440 E N -0.109 120.044 120.200 -0.079 0.000 2.097 440 E HA -0.314 4.039 4.350 0.006 0.000 0.196 440 E C 1.983 178.579 176.600 -0.006 0.000 1.000 440 E CA 1.870 58.261 56.400 -0.015 0.000 0.804 440 E CB -0.193 29.541 29.700 0.056 0.000 0.740 440 E HN 0.687 nan 8.360 nan 0.000 0.454 441 D N -0.046 120.360 120.400 0.010 0.000 2.117 441 D HA -0.111 4.532 4.640 0.006 0.000 0.198 441 D C 1.874 178.180 176.300 0.009 0.000 0.982 441 D CA 0.745 54.764 54.000 0.031 0.000 0.828 441 D CB 0.071 40.907 40.800 0.060 0.000 0.967 441 D HN 0.063 nan 8.370 nan 0.000 0.464 442 L N 0.130 121.315 121.223 -0.064 0.000 2.083 442 L HA -0.133 4.211 4.340 0.006 0.000 0.209 442 L C 2.415 179.248 176.870 -0.062 0.000 1.083 442 L CA 0.701 55.478 54.840 -0.105 0.000 0.752 442 L CB -0.364 41.538 42.059 -0.261 0.000 0.899 442 L HN 0.204 nan 8.230 nan 0.000 0.433 443 I N -0.161 120.352 120.570 -0.096 0.000 2.226 443 I HA -0.275 3.898 4.170 0.006 0.000 0.245 443 I C 2.821 178.954 176.117 0.027 0.000 1.100 443 I CA 1.136 62.406 61.300 -0.049 0.000 1.374 443 I CB -0.452 37.517 38.000 -0.052 0.000 1.057 443 I HN 0.191 nan 8.210 nan 0.000 0.413 444 A N 0.291 123.130 122.820 0.032 0.000 1.908 444 A HA -0.279 4.045 4.320 0.006 0.000 0.218 444 A C 2.256 179.885 177.584 0.075 0.000 1.181 444 A CA 1.735 53.804 52.037 0.053 0.000 0.627 444 A CB -0.650 18.381 19.000 0.052 0.000 0.818 444 A HN 0.484 nan 8.150 nan 0.000 0.445 445 Q N -0.784 119.070 119.800 0.090 0.000 2.084 445 Q HA -0.092 4.251 4.340 0.006 0.000 0.202 445 Q C 2.000 178.086 176.000 0.145 0.000 0.978 445 Q CA 1.594 57.475 55.803 0.131 0.000 0.844 445 Q CB -0.287 28.569 28.738 0.195 0.000 0.898 445 Q HN 0.742 nan 8.270 nan 0.000 0.426 446 I N 0.195 120.851 120.570 0.143 0.000 2.439 446 I HA -0.220 3.953 4.170 0.006 0.000 0.251 446 I C 2.576 178.794 176.117 0.168 0.000 1.139 446 I CA 0.745 62.145 61.300 0.168 0.000 1.438 446 I CB -0.189 37.909 38.000 0.162 0.000 1.085 446 I HN 0.120 nan 8.210 nan 0.000 0.427 447 R N 1.188 121.765 120.500 0.129 0.000 2.081 447 R HA -0.191 4.153 4.340 0.006 0.000 0.235 447 R C 2.055 178.446 176.300 0.152 0.000 1.131 447 R CA 1.665 57.838 56.100 0.122 0.000 0.960 447 R CB -0.103 30.243 30.300 0.077 0.000 0.856 447 R HN 0.402 nan 8.270 nan 0.000 0.436 448 E N -0.234 120.037 120.200 0.119 0.000 2.038 448 E HA -0.177 4.177 4.350 0.006 0.000 0.195 448 E C 2.005 178.667 176.600 0.104 0.000 1.000 448 E CA 1.630 58.089 56.400 0.098 0.000 0.803 448 E CB -0.051 29.696 29.700 0.079 0.000 0.750 448 E HN 0.133 nan 8.360 nan 0.000 0.448 449 V N 1.114 121.099 119.914 0.120 0.000 2.392 449 V HA -0.265 3.859 4.120 0.006 0.000 0.249 449 V C 1.970 178.121 176.094 0.095 0.000 1.059 449 V CA 1.815 64.177 62.300 0.104 0.000 1.051 449 V CB -0.502 31.399 31.823 0.130 0.000 0.658 449 V HN 0.257 nan 8.190 nan 0.000 0.455 450 F N 0.475 120.431 119.950 0.011 0.000 2.075 450 F HA -0.195 4.335 4.527 0.006 0.000 0.297 450 F C 2.120 177.876 175.800 -0.073 0.000 1.113 450 F CA 1.906 59.877 58.000 -0.048 0.000 1.218 450 F CB -0.216 38.712 39.000 -0.119 0.000 0.984 450 F HN 0.057 nan 8.300 nan 0.000 0.472 451 I N 0.230 120.871 120.570 0.118 0.000 2.179 451 I HA -0.351 3.822 4.170 0.006 0.000 0.242 451 I C 2.433 178.509 176.117 -0.069 0.000 1.088 451 I CA 1.647 62.962 61.300 0.024 0.000 1.357 451 I CB -0.714 37.335 38.000 0.082 0.000 1.051 451 I HN 0.271 nan 8.210 nan 0.000 0.409 452 Q N 0.015 119.794 119.800 -0.034 0.000 2.096 452 Q HA -0.204 4.139 4.340 0.006 0.000 0.204 452 Q C 2.166 178.120 176.000 -0.076 0.000 0.982 452 Q CA 2.154 57.933 55.803 -0.040 0.000 0.850 452 Q CB -0.342 28.389 28.738 -0.011 0.000 0.901 452 Q HN 0.464 nan 8.270 nan 0.000 0.422 453 T N 1.504 115.992 114.554 -0.109 0.000 2.929 453 T HA -0.089 4.265 4.350 0.006 0.000 0.271 453 T C 1.722 176.321 174.700 -0.169 0.000 1.085 453 T CA 0.633 62.659 62.100 -0.123 0.000 1.125 453 T CB -0.136 68.661 68.868 -0.118 0.000 0.874 453 T HN 0.207 nan 8.240 nan 0.000 0.494 454 L N 0.806 121.893 121.223 -0.227 0.000 2.079 454 L HA -0.175 4.169 4.340 0.006 0.000 0.210 454 L C 2.275 179.049 176.870 -0.161 0.000 1.081 454 L CA 1.323 56.038 54.840 -0.208 0.000 0.752 454 L CB -0.596 41.354 42.059 -0.182 0.000 0.896 454 L HN 0.205 nan 8.230 nan 0.000 0.433 455 D N -0.034 120.296 120.400 -0.117 0.000 2.144 455 D HA -0.164 4.479 4.640 0.006 0.000 0.200 455 D C 1.650 177.897 176.300 -0.088 0.000 0.978 455 D CA 1.239 55.184 54.000 -0.090 0.000 0.833 455 D CB -0.210 40.552 40.800 -0.062 0.000 0.961 455 D HN 0.369 nan 8.370 nan 0.000 0.470 456 D N -0.358 119.993 120.400 -0.082 0.000 2.269 456 D HA 0.010 4.653 4.640 0.006 0.000 0.208 456 D C 0.185 176.434 176.300 -0.084 0.000 0.963 456 D CA 0.258 54.221 54.000 -0.061 0.000 0.864 456 D CB 0.140 40.920 40.800 -0.033 0.000 0.936 456 D HN 0.176 nan 8.370 nan 0.000 0.505 457 L N 1.753 122.879 121.223 -0.161 0.000 2.456 457 L HA 0.095 4.438 4.340 0.006 0.000 0.277 457 L C 1.632 178.319 176.870 -0.304 0.000 1.124 457 L CA -0.121 54.544 54.840 -0.291 0.000 0.880 457 L CB 0.664 42.394 42.059 -0.548 0.000 1.192 457 L HN 0.127 nan 8.230 nan 0.000 0.463 458 T N -1.404 113.063 114.554 -0.146 0.000 3.055 458 T HA -0.091 4.262 4.350 0.006 0.000 0.265 458 T C 1.259 175.960 174.700 0.002 0.000 1.111 458 T CA -0.058 62.010 62.100 -0.054 0.000 1.118 458 T CB -0.069 68.816 68.868 0.029 0.000 0.909 458 T HN 0.777 nan 8.240 nan 0.000 0.501 459 W N 1.055 122.341 121.300 -0.022 0.000 3.345 459 W HA 0.542 5.206 4.660 0.005 0.000 0.282 459 W C -0.182 176.363 176.519 0.043 0.000 1.302 459 W CA -0.933 56.407 57.345 -0.008 0.000 1.724 459 W CB -0.863 28.569 29.460 -0.048 0.000 1.104 459 W HN 0.203 nan 8.180 nan 0.000 0.694 460 M N 2.092 121.573 119.600 -0.197 0.000 2.530 460 M HA 0.172 4.655 4.480 0.006 0.000 0.307 460 M C -0.688 175.569 176.300 -0.071 0.000 1.161 460 M CA -0.700 54.521 55.300 -0.131 0.000 0.903 460 M CB 2.384 34.758 32.600 -0.376 0.000 1.711 460 M HN -0.209 nan 8.290 nan 0.000 0.451 461 D N 1.137 121.535 120.400 -0.003 0.000 2.348 461 D HA 0.477 5.121 4.640 0.006 0.000 0.249 461 D C 0.870 177.153 176.300 -0.029 0.000 1.110 461 D CA -0.607 53.391 54.000 -0.003 0.000 0.967 461 D CB 0.773 41.592 40.800 0.031 0.000 1.139 461 D HN 0.623 nan 8.370 nan 0.000 0.466 462 A N 0.326 123.132 122.820 -0.023 0.000 1.917 462 A HA -0.301 4.022 4.320 0.006 0.000 0.219 462 A C 1.975 179.547 177.584 -0.020 0.000 1.182 462 A CA 2.029 54.049 52.037 -0.028 0.000 0.633 462 A CB -1.049 17.940 19.000 -0.019 0.000 0.819 462 A HN 0.829 nan 8.150 nan 0.000 0.448 463 E N -0.882 119.316 120.200 -0.004 0.000 2.077 463 E HA -0.172 4.181 4.350 0.006 0.000 0.193 463 E C 1.892 178.496 176.600 0.006 0.000 0.989 463 E CA 1.712 58.116 56.400 0.007 0.000 0.800 463 E CB -0.150 29.565 29.700 0.024 0.000 0.746 463 E HN 0.571 nan 8.360 nan 0.000 0.452 464 T N 0.749 115.298 114.554 -0.007 0.000 2.904 464 T HA -0.056 4.297 4.350 0.006 0.000 0.267 464 T C 1.664 176.340 174.700 -0.040 0.000 1.059 464 T CA 1.016 63.089 62.100 -0.044 0.000 1.137 464 T CB -0.041 68.742 68.868 -0.142 0.000 0.879 464 T HN 0.154 nan 8.240 nan 0.000 0.467 465 K N 1.120 121.487 120.400 -0.055 0.000 2.097 465 K HA -0.054 4.269 4.320 0.006 0.000 0.206 465 K C 2.395 178.974 176.600 -0.035 0.000 1.049 465 K CA 0.913 57.169 56.287 -0.051 0.000 0.933 465 K CB -0.085 32.367 32.500 -0.080 0.000 0.717 465 K HN 0.226 nan 8.250 nan 0.000 0.442 466 K N 1.490 121.868 120.400 -0.037 0.000 2.026 466 K HA -0.166 4.157 4.320 0.006 0.000 0.208 466 K C 2.051 178.607 176.600 -0.073 0.000 1.048 466 K CA 1.397 57.659 56.287 -0.042 0.000 0.929 466 K CB 0.042 32.523 32.500 -0.032 0.000 0.713 466 K HN 0.057 nan 8.250 nan 0.000 0.439 467 R N -0.136 120.312 120.500 -0.087 0.000 2.115 467 R HA -0.061 4.282 4.340 0.006 0.000 0.230 467 R C 2.376 178.409 176.300 -0.445 0.000 1.111 467 R CA 1.004 56.965 56.100 -0.232 0.000 0.976 467 R CB -0.249 29.972 30.300 -0.131 0.000 0.870 467 R HN 0.253 nan 8.270 nan 0.000 0.445 468 A N 1.262 123.952 122.820 -0.218 0.000 1.898 468 A HA -0.219 4.105 4.320 0.006 0.000 0.216 468 A C 2.045 179.657 177.584 0.047 0.000 1.181 468 A CA 1.476 53.506 52.037 -0.011 0.000 0.620 468 A CB -0.366 18.781 19.000 0.245 0.000 0.819 468 A HN 0.405 nan 8.150 nan 0.000 0.442 469 E N -0.055 120.144 120.200 -0.002 0.000 2.077 469 E HA -0.228 4.126 4.350 0.006 0.000 0.193 469 E C 1.899 178.491 176.600 -0.015 0.000 0.989 469 E CA 1.373 57.785 56.400 0.020 0.000 0.800 469 E CB -0.180 29.516 29.700 -0.007 0.000 0.746 469 E HN 0.719 nan 8.360 nan 0.000 0.452 470 E N 0.500 120.649 120.200 -0.086 0.000 2.038 470 E HA -0.253 4.101 4.350 0.006 0.000 0.195 470 E C 2.132 178.660 176.600 -0.119 0.000 1.000 470 E CA 1.364 57.697 56.400 -0.111 0.000 0.803 470 E CB -0.090 29.510 29.700 -0.168 0.000 0.750 470 E HN 0.149 nan 8.360 nan 0.000 0.448 471 K N 0.543 120.829 120.400 -0.191 0.000 2.032 471 K HA -0.177 4.146 4.320 0.006 0.000 0.209 471 K C 2.119 178.717 176.600 -0.003 0.000 1.048 471 K CA 1.272 57.459 56.287 -0.168 0.000 0.927 471 K CB -0.140 32.160 32.500 -0.333 0.000 0.712 471 K HN 0.086 nan 8.250 nan 0.000 0.441 472 A N 1.298 124.195 122.820 0.129 0.000 1.883 472 A HA -0.155 4.168 4.320 0.006 0.000 0.217 472 A C 2.129 179.724 177.584 0.020 0.000 1.186 472 A CA 1.523 53.603 52.037 0.072 0.000 0.624 472 A CB -0.706 18.310 19.000 0.026 0.000 0.822 472 A HN 0.349 nan 8.150 nan 0.000 0.444 473 L N -0.945 120.288 121.223 0.015 0.000 2.131 473 L HA -0.177 4.167 4.340 0.006 0.000 0.210 473 L C 2.871 179.737 176.870 -0.007 0.000 1.092 473 L CA 0.989 55.832 54.840 0.006 0.000 0.759 473 L CB -0.375 41.683 42.059 -0.003 0.000 0.903 473 L HN 0.440 nan 8.230 nan 0.000 0.435 474 A N -0.324 122.483 122.820 -0.023 0.000 2.167 474 A HA 0.108 4.431 4.320 0.006 0.000 0.214 474 A C 1.151 178.720 177.584 -0.025 0.000 1.151 474 A CA -0.094 51.924 52.037 -0.032 0.000 0.735 474 A CB -0.496 18.472 19.000 -0.053 0.000 0.802 474 A HN 0.258 nan 8.150 nan 0.000 0.467 475 I N 1.075 121.641 120.570 -0.007 0.000 2.742 475 I HA -0.062 4.111 4.170 0.006 0.000 0.287 475 I C 0.629 176.744 176.117 -0.003 0.000 1.186 475 I CA 0.476 61.783 61.300 0.012 0.000 1.417 475 I CB 0.352 38.380 38.000 0.048 0.000 1.377 475 I HN 0.179 nan 8.210 nan 0.000 0.556 476 K N 7.989 128.368 120.400 -0.036 0.000 2.211 476 K HA 0.207 4.530 4.320 0.006 0.000 0.275 476 K C -0.075 176.479 176.600 -0.078 0.000 1.024 476 K CA -0.628 55.622 56.287 -0.061 0.000 0.887 476 K CB 0.860 33.302 32.500 -0.097 0.000 1.084 476 K HN 0.600 nan 8.250 nan 0.000 0.463 477 E N 4.770 124.939 120.200 -0.051 0.000 2.248 477 E HA 0.330 4.683 4.350 0.006 0.000 0.272 477 E C -0.801 175.700 176.600 -0.165 0.000 1.008 477 E CA -0.885 55.492 56.400 -0.037 0.000 0.856 477 E CB 1.412 31.161 29.700 0.082 0.000 1.120 477 E HN 0.341 nan 8.360 nan 0.000 0.397 478 R N 2.823 123.161 120.500 -0.269 0.000 2.473 478 R HA 0.484 4.828 4.340 0.006 0.000 0.303 478 R C -0.671 175.477 176.300 -0.253 0.000 1.002 478 R CA -0.596 55.126 56.100 -0.629 0.000 0.884 478 R CB 0.820 30.260 30.300 -1.433 0.000 1.173 478 R HN 0.605 nan 8.270 nan 0.000 0.464 479 I N 1.262 121.867 120.570 0.058 0.000 2.389 479 I HA 0.395 4.568 4.170 0.006 0.000 0.288 479 I C 1.199 177.525 176.117 0.349 0.000 0.999 479 I CA -0.215 61.224 61.300 0.233 0.000 1.129 479 I CB 1.903 39.986 38.000 0.137 0.000 1.288 479 I HN 0.812 nan 8.210 nan 0.000 0.444 480 G N 6.112 115.076 108.800 0.274 0.000 5.452 480 G HA2 -0.315 3.649 3.960 0.006 0.000 0.310 480 G HA3 -0.315 3.649 3.960 0.006 0.000 0.310 480 G C -0.227 174.778 174.900 0.175 0.000 1.392 480 G CA 0.837 45.954 45.100 0.029 0.000 0.942 480 G HN 0.964 nan 8.290 nan 0.000 0.776 481 Y N -2.106 118.151 120.300 -0.070 0.000 2.662 481 Y HA 0.653 5.207 4.550 0.005 0.000 0.334 481 Y C -3.133 172.323 175.900 -0.740 0.000 1.185 481 Y CA -2.167 55.596 58.100 -0.561 0.000 1.074 481 Y CB 0.528 38.810 38.460 -0.297 0.000 1.330 481 Y HN 0.292 nan 8.280 nan 0.000 0.458 482 P HA 0.166 nan 4.420 nan 0.000 0.276 482 P C 0.011 177.154 177.300 -0.261 0.000 1.243 482 P CA 0.179 62.852 63.100 -0.711 0.000 0.768 482 P CB 1.310 32.492 31.700 -0.864 0.000 0.856 483 D N 2.442 122.722 120.400 -0.200 0.000 2.203 483 D HA -0.258 4.385 4.640 0.006 0.000 0.199 483 D C 1.012 177.341 176.300 0.048 0.000 0.997 483 D CA 1.556 55.528 54.000 -0.046 0.000 0.863 483 D CB -0.045 40.730 40.800 -0.041 0.000 0.928 483 D HN 0.283 nan 8.370 nan 0.000 0.458 484 D N -0.067 120.329 120.400 -0.006 0.000 2.172 484 D HA -0.190 4.454 4.640 0.006 0.000 0.196 484 D C 2.148 178.452 176.300 0.007 0.000 0.999 484 D CA 1.292 55.291 54.000 -0.002 0.000 0.856 484 D CB -0.517 40.267 40.800 -0.027 0.000 0.934 484 D HN 0.644 nan 8.370 nan 0.000 0.453 485 I N -2.213 118.357 120.570 -0.000 0.000 2.567 485 I HA -0.169 4.004 4.170 0.006 0.000 0.257 485 I C 1.748 177.881 176.117 0.026 0.000 1.184 485 I CA 0.929 62.232 61.300 0.005 0.000 1.451 485 I CB -0.077 37.909 38.000 -0.024 0.000 1.089 485 I HN -0.159 nan 8.210 nan 0.000 0.441 486 V N 1.139 121.091 119.914 0.064 0.000 2.795 486 V HA -0.051 4.073 4.120 0.006 0.000 0.243 486 V C 2.586 178.709 176.094 0.048 0.000 1.069 486 V CA 1.496 63.826 62.300 0.049 0.000 1.089 486 V CB 0.262 32.134 31.823 0.082 0.000 0.756 486 V HN 0.679 nan 8.190 nan 0.000 0.471 487 S N -0.544 115.191 115.700 0.057 0.000 2.486 487 S HA 0.098 4.571 4.470 0.006 0.000 0.220 487 S C 0.972 175.589 174.600 0.028 0.000 1.011 487 S CA 0.216 58.442 58.200 0.043 0.000 0.921 487 S CB -0.132 63.097 63.200 0.049 0.000 0.785 487 S HN 0.458 nan 8.310 nan 0.000 0.517 488 N N 1.743 120.456 118.700 0.023 0.000 2.898 488 N HA 0.272 5.015 4.740 0.006 0.000 0.245 488 N C -0.598 174.919 175.510 0.013 0.000 1.185 488 N CA -0.196 52.863 53.050 0.014 0.000 0.879 488 N CB 0.934 39.425 38.487 0.008 0.000 1.157 488 N HN 0.029 nan 8.380 nan 0.000 0.503 489 D N 1.342 121.752 120.400 0.016 0.000 2.123 489 D HA -0.152 4.491 4.640 0.006 0.000 0.196 489 D C 1.251 177.561 176.300 0.017 0.000 0.992 489 D CA 1.239 55.251 54.000 0.020 0.000 0.833 489 D CB 0.140 40.951 40.800 0.019 0.000 0.954 489 D HN 0.602 nan 8.370 nan 0.000 0.455 490 N N 0.286 118.992 118.700 0.010 0.000 2.043 490 N HA -0.184 4.559 4.740 0.006 0.000 0.193 490 N C 1.764 177.271 175.510 -0.005 0.000 1.037 490 N CA 1.077 54.130 53.050 0.004 0.000 0.851 490 N CB 0.028 38.516 38.487 0.002 0.000 1.027 490 N HN 0.087 nan 8.380 nan 0.000 0.422 491 K N 1.158 121.551 120.400 -0.011 0.000 2.063 491 K HA -0.124 4.199 4.320 0.006 0.000 0.208 491 K C 2.073 178.642 176.600 -0.052 0.000 1.048 491 K CA 0.863 57.133 56.287 -0.029 0.000 0.928 491 K CB -0.117 32.368 32.500 -0.025 0.000 0.713 491 K HN 0.178 nan 8.250 nan 0.000 0.442 492 L N 1.167 122.375 121.223 -0.024 0.000 2.017 492 L HA -0.218 4.126 4.340 0.006 0.000 0.208 492 L C 1.917 178.794 176.870 0.012 0.000 1.073 492 L CA 1.555 56.390 54.840 -0.009 0.000 0.745 492 L CB -0.615 41.479 42.059 0.059 0.000 0.894 492 L HN 0.363 nan 8.230 nan 0.000 0.432 493 N N 0.480 119.208 118.700 0.047 0.000 2.104 493 N HA -0.196 4.547 4.740 0.006 0.000 0.190 493 N C 1.495 177.014 175.510 0.015 0.000 1.024 493 N CA 1.291 54.385 53.050 0.073 0.000 0.853 493 N CB -0.594 37.919 38.487 0.044 0.000 1.008 493 N HN 0.357 nan 8.380 nan 0.000 0.424 494 N N 1.294 119.976 118.700 -0.030 0.000 2.289 494 N HA -0.149 4.594 4.740 0.006 0.000 0.184 494 N C 1.563 177.016 175.510 -0.095 0.000 1.016 494 N CA 0.462 53.486 53.050 -0.044 0.000 0.872 494 N CB -0.241 38.226 38.487 -0.034 0.000 0.973 494 N HN 0.538 nan 8.380 nan 0.000 0.433 495 E N -0.336 119.726 120.200 -0.229 0.000 2.153 495 E HA -0.172 4.182 4.350 0.006 0.000 0.194 495 E C 0.340 176.684 176.600 -0.427 0.000 0.988 495 E CA 1.057 57.219 56.400 -0.395 0.000 0.811 495 E CB 0.037 29.306 29.700 -0.718 0.000 0.746 495 E HN 0.436 nan 8.360 nan 0.000 0.466 496 Y N -0.163 120.121 120.300 -0.027 0.000 2.555 496 Y HA 0.204 4.757 4.550 0.005 0.000 0.259 496 Y C 1.520 177.312 175.900 -0.181 0.000 1.179 496 Y CA -0.390 57.616 58.100 -0.157 0.000 1.230 496 Y CB 0.071 38.451 38.460 -0.133 0.000 1.146 496 Y HN 0.063 nan 8.280 nan 0.000 0.526 497 L N 0.174 121.394 121.223 -0.005 0.000 2.021 497 L HA -0.292 4.051 4.340 0.006 0.000 0.215 497 L C 1.615 178.454 176.870 -0.052 0.000 1.074 497 L CA 2.014 56.844 54.840 -0.016 0.000 0.760 497 L CB -0.033 42.027 42.059 0.001 0.000 0.889 497 L HN 0.259 nan 8.230 nan 0.000 0.433 498 E N -0.520 119.654 120.200 -0.043 0.000 2.478 498 E HA 0.022 4.376 4.350 0.006 0.000 0.198 498 E C 0.029 176.512 176.600 -0.194 0.000 1.046 498 E CA 0.115 56.489 56.400 -0.045 0.000 0.870 498 E CB 0.019 29.806 29.700 0.144 0.000 0.818 498 E HN 0.374 nan 8.360 nan 0.000 0.527 499 L N 1.422 122.437 121.223 -0.346 0.000 2.307 499 L HA 0.370 4.713 4.340 0.006 0.000 0.282 499 L C -0.250 176.311 176.870 -0.515 0.000 1.051 499 L CA -0.552 53.972 54.840 -0.527 0.000 0.804 499 L CB 1.117 42.734 42.059 -0.736 0.000 1.197 499 L HN -0.051 nan 8.230 nan 0.000 0.431 500 N N 2.942 121.333 118.700 -0.515 0.000 2.519 500 N HA 0.299 5.042 4.740 0.006 0.000 0.286 500 N C -1.549 173.791 175.510 -0.283 0.000 1.079 500 N CA -0.579 52.268 53.050 -0.338 0.000 0.878 500 N CB 1.891 40.290 38.487 -0.147 0.000 1.375 500 N HN 0.307 nan 8.380 nan 0.000 0.514 501 Y N 0.841 121.135 120.300 -0.009 0.000 2.323 501 Y HA 0.337 4.891 4.550 0.005 0.000 0.331 501 Y C 0.800 176.713 175.900 0.023 0.000 1.092 501 Y CA -0.480 57.626 58.100 0.010 0.000 1.150 501 Y CB 1.280 39.751 38.460 0.018 0.000 1.200 501 Y HN 0.089 nan 8.280 nan 0.000 0.472 502 K N 2.304 122.830 120.400 0.211 0.000 2.213 502 K HA 0.200 4.524 4.320 0.006 0.000 0.270 502 K C 0.479 177.154 176.600 0.125 0.000 1.002 502 K CA -0.447 55.919 56.287 0.130 0.000 0.868 502 K CB 1.223 33.784 32.500 0.101 0.000 1.093 502 K HN 0.750 nan 8.250 nan 0.000 0.454 503 E N 1.262 121.520 120.200 0.096 0.000 2.265 503 E HA -0.183 4.170 4.350 0.006 0.000 0.196 503 E C 0.531 177.169 176.600 0.062 0.000 0.996 503 E CA 1.124 57.569 56.400 0.075 0.000 0.832 503 E CB 0.199 29.933 29.700 0.058 0.000 0.756 503 E HN 0.561 nan 8.360 nan 0.000 0.491 504 D N -0.100 120.339 120.400 0.065 0.000 2.402 504 D HA -0.021 4.622 4.640 0.006 0.000 0.216 504 D C 0.063 176.411 176.300 0.080 0.000 1.128 504 D CA 0.168 54.203 54.000 0.058 0.000 0.833 504 D CB 0.292 41.118 40.800 0.044 0.000 0.971 504 D HN -0.090 nan 8.370 nan 0.000 0.503 505 E N 0.503 120.765 120.200 0.104 0.000 3.568 505 E HA 0.049 4.402 4.350 0.006 0.000 0.213 505 E C -0.012 176.676 176.600 0.146 0.000 1.197 505 E CA -0.672 55.800 56.400 0.121 0.000 1.126 505 E CB 0.150 29.913 29.700 0.105 0.000 1.285 505 E HN 0.274 nan 8.360 nan 0.000 0.418 506 Y N 0.720 121.036 120.300 0.027 0.000 2.128 506 Y HA -0.324 4.229 4.550 0.006 0.000 0.284 506 Y C 1.793 177.696 175.900 0.004 0.000 1.154 506 Y CA 1.642 59.728 58.100 -0.023 0.000 1.149 506 Y CB 0.034 38.457 38.460 -0.061 0.000 0.976 506 Y HN 0.349 nan 8.280 nan 0.000 0.505 507 F N 1.273 121.112 119.950 -0.186 0.000 2.069 507 F HA -0.246 4.284 4.527 0.005 0.000 0.298 507 F C 2.282 177.976 175.800 -0.176 0.000 1.113 507 F CA 2.287 60.135 58.000 -0.254 0.000 1.214 507 F CB -0.364 38.559 39.000 -0.129 0.000 0.978 507 F HN 0.132 nan 8.300 nan 0.000 0.474 508 E N -0.107 120.169 120.200 0.125 0.000 2.118 508 E HA -0.262 4.091 4.350 0.006 0.000 0.195 508 E C 1.841 178.448 176.600 0.012 0.000 0.992 508 E CA 1.583 58.035 56.400 0.087 0.000 0.804 508 E CB -0.517 29.253 29.700 0.118 0.000 0.741 508 E HN 0.641 nan 8.360 nan 0.000 0.458 509 N N 1.016 119.700 118.700 -0.027 0.000 2.084 509 N HA -0.134 4.609 4.740 0.006 0.000 0.190 509 N C 2.308 177.778 175.510 -0.067 0.000 1.030 509 N CA 1.276 54.339 53.050 0.022 0.000 0.849 509 N CB -0.301 38.145 38.487 -0.068 0.000 1.012 509 N HN 0.257 nan 8.380 nan 0.000 0.423 510 I N -0.993 119.363 120.570 -0.357 0.000 2.315 510 I HA -0.126 4.047 4.170 0.006 0.000 0.248 510 I C 1.880 177.913 176.117 -0.141 0.000 1.117 510 I CA 1.229 62.356 61.300 -0.288 0.000 1.404 510 I CB -0.364 37.244 38.000 -0.654 0.000 1.071 510 I HN 0.078 nan 8.210 nan 0.000 0.419 511 I N 1.058 121.502 120.570 -0.211 0.000 2.226 511 I HA -0.272 3.901 4.170 0.006 0.000 0.245 511 I C 2.871 179.040 176.117 0.087 0.000 1.100 511 I CA 1.656 62.946 61.300 -0.017 0.000 1.374 511 I CB -0.506 37.506 38.000 0.019 0.000 1.057 511 I HN 0.444 nan 8.210 nan 0.000 0.413 512 Q N 1.050 120.899 119.800 0.081 0.000 2.096 512 Q HA -0.248 4.095 4.340 0.006 0.000 0.204 512 Q C 1.961 178.054 176.000 0.156 0.000 0.982 512 Q CA 1.814 57.684 55.803 0.111 0.000 0.850 512 Q CB 0.025 28.833 28.738 0.116 0.000 0.901 512 Q HN 0.453 nan 8.270 nan 0.000 0.422 513 N N 0.318 119.126 118.700 0.179 0.000 2.166 513 N HA -0.128 4.615 4.740 0.006 0.000 0.186 513 N C 1.781 177.412 175.510 0.202 0.000 1.019 513 N CA 0.901 54.079 53.050 0.214 0.000 0.856 513 N CB -0.242 38.368 38.487 0.206 0.000 0.993 513 N HN 0.274 nan 8.380 nan 0.000 0.426 514 L N 0.966 122.282 121.223 0.155 0.000 2.017 514 L HA -0.147 4.197 4.340 0.006 0.000 0.208 514 L C 2.196 179.110 176.870 0.074 0.000 1.073 514 L CA 1.257 56.175 54.840 0.131 0.000 0.745 514 L CB -0.302 41.872 42.059 0.193 0.000 0.894 514 L HN 0.136 nan 8.230 nan 0.000 0.432 515 K N -0.514 119.914 120.400 0.048 0.000 2.026 515 K HA -0.223 4.101 4.320 0.006 0.000 0.208 515 K C 2.075 178.699 176.600 0.040 0.000 1.048 515 K CA 1.730 58.001 56.287 -0.027 0.000 0.929 515 K CB -0.352 32.120 32.500 -0.047 0.000 0.713 515 K HN 0.105 nan 8.250 nan 0.000 0.439 516 F N 1.894 121.829 119.950 -0.025 0.000 2.102 516 F HA -0.237 4.294 4.527 0.006 0.000 0.298 516 F C 2.191 177.979 175.800 -0.019 0.000 1.105 516 F CA 1.568 59.558 58.000 -0.016 0.000 1.239 516 F CB -0.134 38.874 39.000 0.014 0.000 0.991 516 F HN -0.114 nan 8.300 nan 0.000 0.474 517 S N -0.270 115.479 115.700 0.082 0.000 2.383 517 S HA -0.242 4.231 4.470 0.006 0.000 0.227 517 S C 1.778 176.303 174.600 -0.126 0.000 1.026 517 S CA 1.304 59.477 58.200 -0.045 0.000 0.981 517 S CB -0.398 62.846 63.200 0.074 0.000 0.818 517 S HN 0.464 nan 8.310 nan 0.000 0.472 518 Q N 1.574 121.320 119.800 -0.090 0.000 2.049 518 Q HA 0.058 4.402 4.340 0.006 0.000 0.198 518 Q C 2.231 178.143 176.000 -0.145 0.000 0.971 518 Q CA 1.585 57.327 55.803 -0.101 0.000 0.833 518 Q CB -0.656 28.030 28.738 -0.086 0.000 0.896 518 Q HN 0.350 nan 8.270 nan 0.000 0.434 519 S N 0.241 115.837 115.700 -0.173 0.000 2.359 519 S HA -0.189 4.284 4.470 0.006 0.000 0.224 519 S C 1.721 176.175 174.600 -0.245 0.000 1.035 519 S CA 1.499 59.585 58.200 -0.190 0.000 1.018 519 S CB -0.298 62.793 63.200 -0.181 0.000 0.876 519 S HN 0.387 nan 8.310 nan 0.000 0.448 520 K N 0.447 120.624 120.400 -0.372 0.000 2.074 520 K HA -0.223 4.100 4.320 0.006 0.000 0.209 520 K C 2.391 178.838 176.600 -0.255 0.000 1.048 520 K CA 1.655 57.709 56.287 -0.388 0.000 0.926 520 K CB -0.160 32.008 32.500 -0.554 0.000 0.713 520 K HN 0.155 nan 8.250 nan 0.000 0.444 521 Q N 0.825 120.500 119.800 -0.208 0.000 2.046 521 Q HA -0.065 4.279 4.340 0.006 0.000 0.200 521 Q C 1.943 177.849 176.000 -0.156 0.000 0.975 521 Q CA 1.484 57.192 55.803 -0.158 0.000 0.836 521 Q CB -0.142 28.536 28.738 -0.099 0.000 0.896 521 Q HN 0.348 nan 8.270 nan 0.000 0.428 522 L N 0.125 121.266 121.223 -0.136 0.000 2.131 522 L HA -0.155 4.189 4.340 0.006 0.000 0.210 522 L C 2.211 178.998 176.870 -0.138 0.000 1.092 522 L CA 1.246 56.014 54.840 -0.120 0.000 0.759 522 L CB -0.438 41.556 42.059 -0.107 0.000 0.903 522 L HN 0.161 nan 8.230 nan 0.000 0.435 523 K N 0.423 120.729 120.400 -0.155 0.000 2.360 523 K HA -0.148 4.175 4.320 0.006 0.000 0.201 523 K C 1.826 178.327 176.600 -0.165 0.000 1.046 523 K CA 0.907 57.107 56.287 -0.144 0.000 0.945 523 K CB -0.031 32.381 32.500 -0.147 0.000 0.750 523 K HN 0.333 nan 8.250 nan 0.000 0.464 524 K N 0.632 120.884 120.400 -0.247 0.000 2.432 524 K HA -0.063 4.260 4.320 0.006 0.000 0.196 524 K C 1.773 178.171 176.600 -0.337 0.000 1.038 524 K CA 0.118 56.159 56.287 -0.409 0.000 0.986 524 K CB -0.012 32.009 32.500 -0.797 0.000 0.782 524 K HN 0.005 nan 8.250 nan 0.000 0.485 525 L N 1.549 122.670 121.223 -0.171 0.000 2.021 525 L HA -0.244 4.099 4.340 0.006 0.000 0.215 525 L C 1.686 178.574 176.870 0.029 0.000 1.074 525 L CA 1.919 56.734 54.840 -0.042 0.000 0.760 525 L CB -0.125 41.905 42.059 -0.047 0.000 0.889 525 L HN 0.073 nan 8.230 nan 0.000 0.433 526 R N -0.091 120.411 120.500 0.002 0.000 2.317 526 R HA 0.190 4.533 4.340 0.006 0.000 0.208 526 R C 0.207 176.536 176.300 0.048 0.000 0.914 526 R CA 0.000 56.113 56.100 0.022 0.000 1.060 526 R CB -0.404 29.893 30.300 -0.004 0.000 1.015 526 R HN 0.433 nan 8.270 nan 0.000 0.498 527 E N 1.189 121.434 120.200 0.076 0.000 2.280 527 E HA 0.258 4.611 4.350 0.006 0.000 0.264 527 E C -0.129 176.594 176.600 0.205 0.000 1.064 527 E CA -0.430 56.031 56.400 0.102 0.000 0.900 527 E CB 1.321 31.050 29.700 0.049 0.000 1.123 527 E HN -0.131 nan 8.360 nan 0.000 0.418 528 K N 0.253 120.723 120.400 0.116 0.000 2.098 528 K HA 0.324 4.647 4.320 0.006 0.000 0.261 528 K C -0.361 176.286 176.600 0.078 0.000 0.987 528 K CA -0.759 55.562 56.287 0.057 0.000 0.916 528 K CB 1.343 33.851 32.500 0.014 0.000 1.039 528 K HN 0.154 nan 8.250 nan 0.000 0.455 529 V N 2.815 122.685 119.914 -0.074 0.000 2.529 529 V HA -0.087 4.036 4.120 0.006 0.000 0.292 529 V C 0.425 176.519 176.094 0.000 0.000 1.028 529 V CA 0.170 62.437 62.300 -0.056 0.000 1.074 529 V CB 0.442 32.150 31.823 -0.191 0.000 0.958 529 V HN 0.700 nan 8.190 nan 0.000 0.481 530 D N 4.055 124.477 120.400 0.037 0.000 2.371 530 D HA 0.045 4.688 4.640 0.006 0.000 0.256 530 D C 0.880 177.181 176.300 0.002 0.000 1.193 530 D CA -0.068 53.945 54.000 0.021 0.000 0.881 530 D CB 1.213 42.032 40.800 0.030 0.000 1.143 530 D HN 0.550 nan 8.370 nan 0.000 0.473 531 K N 2.669 123.065 120.400 -0.006 0.000 2.026 531 K HA -0.128 4.196 4.320 0.006 0.000 0.208 531 K C 0.901 177.496 176.600 -0.008 0.000 1.048 531 K CA 1.328 57.603 56.287 -0.020 0.000 0.929 531 K CB 0.211 32.700 32.500 -0.019 0.000 0.713 531 K HN 0.363 nan 8.250 nan 0.000 0.439 532 D N 0.873 121.289 120.400 0.027 0.000 2.378 532 D HA -0.093 4.551 4.640 0.006 0.000 0.227 532 D C -0.082 176.310 176.300 0.153 0.000 1.012 532 D CA 0.396 54.442 54.000 0.078 0.000 0.905 532 D CB -0.139 40.711 40.800 0.083 0.000 0.895 532 D HN 0.418 nan 8.370 nan 0.000 0.532 533 E N 0.325 120.583 120.200 0.098 0.000 2.324 533 E HA 0.014 4.367 4.350 0.006 0.000 0.271 533 E C -0.568 176.135 176.600 0.171 0.000 1.028 533 E CA -0.515 55.964 56.400 0.132 0.000 0.890 533 E CB 0.540 30.274 29.700 0.057 0.000 1.004 533 E HN -0.059 nan 8.360 nan 0.000 0.431 534 W N 4.569 125.825 121.300 -0.074 0.000 2.316 534 W HA 0.193 4.856 4.660 0.005 0.000 0.321 534 W C 1.155 177.588 176.519 -0.143 0.000 1.203 534 W CA -0.607 56.679 57.345 -0.098 0.000 1.214 534 W CB 0.461 29.877 29.460 -0.073 0.000 1.169 534 W HN 0.536 nan 8.180 nan 0.000 0.561 535 I N 0.222 120.765 120.570 -0.045 0.000 3.684 535 I HA 0.193 4.367 4.170 0.006 0.000 0.304 535 I C 0.491 176.410 176.117 -0.331 0.000 1.278 535 I CA 0.320 61.500 61.300 -0.200 0.000 1.272 535 I CB -0.187 37.631 38.000 -0.302 0.000 1.029 535 I HN 0.159 nan 8.210 nan 0.000 0.458 536 S N 0.091 115.696 115.700 -0.159 0.000 2.537 536 S HA 0.680 5.153 4.470 0.006 0.000 0.271 536 S C -0.092 174.540 174.600 0.053 0.000 1.148 536 S CA -0.247 57.836 58.200 -0.194 0.000 0.868 536 S CB 1.301 64.264 63.200 -0.395 0.000 1.115 536 S HN 0.386 nan 8.310 nan 0.000 0.461 537 G N 1.157 109.962 108.800 0.010 0.000 2.634 537 G HA2 0.530 4.493 3.960 0.006 0.000 0.255 537 G HA3 0.530 4.493 3.960 0.006 0.000 0.255 537 G C 1.106 176.036 174.900 0.050 0.000 1.205 537 G CA -0.046 45.063 45.100 0.014 0.000 0.884 537 G HN 1.205 nan 8.290 nan 0.000 0.549 538 A N 0.280 123.105 122.820 0.008 0.000 1.970 538 A HA 0.404 4.727 4.320 0.006 0.000 0.216 538 A C 1.991 179.564 177.584 -0.019 0.000 1.170 538 A CA 1.594 53.651 52.037 0.033 0.000 0.645 538 A CB -0.251 18.762 19.000 0.020 0.000 0.816 538 A HN 1.407 nan 8.150 nan 0.000 0.447 539 A N 0.459 123.197 122.820 -0.138 0.000 3.118 539 A HA 0.536 4.859 4.320 0.006 0.000 0.256 539 A C -0.461 176.933 177.584 -0.317 0.000 1.667 539 A CA -0.100 51.627 52.037 -0.517 0.000 1.338 539 A CB -0.688 17.978 19.000 -0.557 0.000 1.127 539 A HN 0.295 nan 8.150 nan 0.000 0.634 540 V N 1.040 120.853 119.914 -0.168 0.000 2.668 540 V HA 0.192 4.315 4.120 0.006 0.000 0.304 540 V C -0.321 175.756 176.094 -0.028 0.000 1.071 540 V CA -0.572 61.703 62.300 -0.043 0.000 0.894 540 V CB 2.163 34.050 31.823 0.106 0.000 1.008 540 V HN 0.214 nan 8.190 nan 0.000 0.425 541 V N 5.380 125.279 119.914 -0.025 0.000 2.267 541 V HA 0.532 4.656 4.120 0.006 0.000 0.254 541 V C 0.146 176.237 176.094 -0.007 0.000 1.144 541 V CA 0.220 62.509 62.300 -0.018 0.000 0.992 541 V CB -0.163 31.677 31.823 0.028 0.000 1.199 541 V HN 0.925 nan 8.190 nan 0.000 0.493 542 N N 2.318 120.960 118.700 -0.096 0.000 3.836 542 N HA 0.687 5.430 4.740 0.006 0.000 0.229 542 N C -1.533 173.738 175.510 -0.398 0.000 1.375 542 N CA 0.180 53.071 53.050 -0.265 0.000 0.838 542 N CB 1.994 40.267 38.487 -0.357 0.000 1.447 542 N HN 0.540 nan 8.380 nan 0.000 0.458 543 A N 0.258 122.678 122.820 -0.667 0.000 2.556 543 A HA 0.881 5.204 4.320 0.006 0.000 0.294 543 A C -1.738 175.294 177.584 -0.920 0.000 1.091 543 A CA -0.395 51.303 52.037 -0.564 0.000 0.704 543 A CB 0.948 19.869 19.000 -0.132 0.000 1.300 543 A HN 0.372 nan 8.150 nan 0.000 0.406 544 F N -1.024 118.839 119.950 -0.145 0.000 2.664 544 F HA 0.692 5.223 4.527 0.006 0.000 0.317 544 F C -0.861 174.907 175.800 -0.053 0.000 1.108 544 F CA -0.608 57.355 58.000 -0.062 0.000 0.957 544 F CB 1.851 40.786 39.000 -0.110 0.000 1.365 544 F HN 0.642 nan 8.300 nan 0.000 0.475 545 Y N 0.524 120.876 120.300 0.086 0.000 2.433 545 Y HA 0.579 5.132 4.550 0.006 0.000 0.337 545 Y C -1.092 174.758 175.900 -0.084 0.000 1.026 545 Y CA -0.940 57.145 58.100 -0.025 0.000 1.037 545 Y CB 2.023 40.501 38.460 0.030 0.000 1.245 545 Y HN 0.542 nan 8.280 nan 0.000 0.443 546 S N 3.749 118.868 115.700 -0.967 0.000 2.474 546 S HA 0.371 4.845 4.470 0.006 0.000 0.321 546 S C 0.326 174.252 174.600 -1.123 0.000 1.080 546 S CA -0.221 57.509 58.200 -0.784 0.000 1.106 546 S CB 1.274 64.172 63.200 -0.505 0.000 0.984 546 S HN 0.846 nan 8.310 nan 0.000 0.464 547 S N 3.983 119.205 115.700 -0.796 0.000 2.368 547 S HA 0.004 4.477 4.470 0.006 0.000 0.224 547 S C 2.019 176.254 174.600 -0.609 0.000 1.029 547 S CA 1.447 59.223 58.200 -0.705 0.000 0.988 547 S CB -0.628 61.941 63.200 -1.053 0.000 0.838 547 S HN 0.925 nan 8.310 nan 0.000 0.462 548 G N 1.037 109.527 108.800 -0.517 0.000 2.443 548 G HA2 -0.144 3.819 3.960 0.006 0.000 0.219 548 G HA3 -0.144 3.819 3.960 0.006 0.000 0.219 548 G C 1.397 176.171 174.900 -0.210 0.000 1.131 548 G CA 0.239 45.172 45.100 -0.278 0.000 0.775 548 G HN 0.425 nan 8.290 nan 0.000 0.547 549 R N -0.578 119.753 120.500 -0.281 0.000 2.365 549 R HA 0.184 4.527 4.340 0.006 0.000 0.223 549 R C 0.646 176.798 176.300 -0.248 0.000 0.899 549 R CA 0.132 56.093 56.100 -0.232 0.000 1.059 549 R CB -0.049 30.108 30.300 -0.239 0.000 1.086 549 R HN 0.397 nan 8.270 nan 0.000 0.522 550 N N 2.508 121.005 118.700 -0.337 0.000 2.688 550 N HA -0.216 4.527 4.740 0.006 0.000 0.258 550 N C -0.933 174.448 175.510 -0.216 0.000 1.016 550 N CA 0.423 53.322 53.050 -0.253 0.000 0.747 550 N CB -0.264 38.172 38.487 -0.085 0.000 0.895 550 N HN 0.483 nan 8.380 nan 0.000 0.543 551 Q N 0.842 120.401 119.800 -0.400 0.000 2.389 551 Q HA 0.644 4.987 4.340 0.006 0.000 0.277 551 Q C -0.492 175.389 176.000 -0.199 0.000 1.082 551 Q CA -1.066 54.591 55.803 -0.243 0.000 0.810 551 Q CB 1.579 30.154 28.738 -0.272 0.000 1.374 551 Q HN 0.372 nan 8.270 nan 0.000 0.422 552 I N -0.276 120.235 120.570 -0.099 0.000 2.412 552 I HA 0.759 4.933 4.170 0.006 0.000 0.296 552 I C -0.989 174.859 176.117 -0.447 0.000 0.987 552 I CA -1.250 59.949 61.300 -0.168 0.000 1.180 552 I CB 1.842 39.848 38.000 0.010 0.000 1.340 552 I HN 0.388 nan 8.210 nan 0.000 0.455 553 V N 6.120 125.646 119.914 -0.647 0.000 2.531 553 V HA 0.454 4.577 4.120 0.006 0.000 0.301 553 V C -0.970 174.704 176.094 -0.700 0.000 1.034 553 V CA -0.326 61.643 62.300 -0.552 0.000 0.865 553 V CB 1.639 33.315 31.823 -0.244 0.000 0.995 553 V HN 0.584 nan 8.190 nan 0.000 0.424 554 F N 4.983 124.951 119.950 0.030 0.000 2.564 554 F HA 0.498 5.028 4.527 0.006 0.000 0.368 554 F C -2.411 173.436 175.800 0.078 0.000 1.127 554 F CA -2.485 55.535 58.000 0.032 0.000 1.170 554 F CB 1.232 40.217 39.000 -0.025 0.000 1.397 554 F HN 0.304 nan 8.300 nan 0.000 0.493 555 P HA 0.034 nan 4.420 nan 0.000 0.268 555 P C 0.682 178.007 177.300 0.042 0.000 1.208 555 P CA 0.243 63.461 63.100 0.197 0.000 0.777 555 P CB 0.982 32.797 31.700 0.191 0.000 0.875 556 A N 3.021 125.773 122.820 -0.113 0.000 1.986 556 A HA -0.144 4.180 4.320 0.006 0.000 0.220 556 A C 2.307 179.902 177.584 0.019 0.000 1.171 556 A CA 2.205 53.993 52.037 -0.415 0.000 0.640 556 A CB -1.870 16.713 19.000 -0.695 0.000 0.811 556 A HN 0.670 nan 8.150 nan 0.000 0.451 557 G N -0.832 108.016 108.800 0.081 0.000 2.479 557 G HA2 -0.142 3.821 3.960 0.006 0.000 0.220 557 G HA3 -0.142 3.821 3.960 0.006 0.000 0.220 557 G C 1.309 176.222 174.900 0.023 0.000 1.115 557 G CA 1.071 46.206 45.100 0.057 0.000 0.757 557 G HN 0.554 nan 8.290 nan 0.000 0.560 558 I N 0.057 120.611 120.570 -0.027 0.000 4.018 558 I HA 0.333 4.507 4.170 0.006 0.000 0.337 558 I C 0.346 176.415 176.117 -0.079 0.000 1.327 558 I CA -0.114 61.071 61.300 -0.192 0.000 1.100 558 I CB 0.352 38.157 38.000 -0.324 0.000 1.025 558 I HN -0.055 nan 8.210 nan 0.000 0.396 559 L N 3.260 124.554 121.223 0.118 0.000 2.719 559 L HA 0.267 4.610 4.340 0.006 0.000 0.236 559 L C -0.269 176.873 176.870 0.452 0.000 1.285 559 L CA -0.023 54.997 54.840 0.300 0.000 1.222 559 L CB -0.451 41.812 42.059 0.341 0.000 1.493 559 L HN 0.325 nan 8.230 nan 0.000 0.415 560 Q N -0.471 119.537 119.800 0.348 0.000 2.534 560 Q HA 0.589 4.932 4.340 0.006 0.000 0.290 560 Q C -2.995 173.134 176.000 0.216 0.000 0.991 560 Q CA -2.301 53.657 55.803 0.259 0.000 0.783 560 Q CB 1.607 30.472 28.738 0.212 0.000 1.470 560 Q HN -0.132 nan 8.270 nan 0.000 0.406 561 P HA 0.016 nan 4.420 nan 0.000 0.267 561 P C -1.919 175.370 177.300 -0.019 0.000 1.200 561 P CA -0.700 62.398 63.100 -0.003 0.000 0.772 561 P CB 0.293 31.965 31.700 -0.048 0.000 0.855 562 P HA -0.043 nan 4.420 nan 0.000 0.236 562 P C 0.937 178.046 177.300 -0.318 0.000 1.177 562 P CA 0.954 63.859 63.100 -0.326 0.000 0.773 562 P CB -0.044 31.355 31.700 -0.502 0.000 0.878 563 F N -0.033 119.835 119.950 -0.138 0.000 2.075 563 F HA 0.052 4.583 4.527 0.006 0.000 0.297 563 F C 1.462 177.303 175.800 0.068 0.000 1.113 563 F CA 1.264 59.223 58.000 -0.068 0.000 1.218 563 F CB -0.498 38.468 39.000 -0.056 0.000 0.984 563 F HN -0.120 nan 8.300 nan 0.000 0.472 564 F N -0.995 119.026 119.950 0.118 0.000 2.654 564 F HA 0.561 5.092 4.527 0.006 0.000 0.308 564 F C -0.896 174.924 175.800 0.032 0.000 1.108 564 F CA -1.175 56.849 58.000 0.040 0.000 0.957 564 F CB 1.794 40.820 39.000 0.044 0.000 1.309 564 F HN -0.336 nan 8.300 nan 0.000 0.446 565 S N 2.957 117.878 115.700 -1.299 0.000 2.586 565 S HA 0.571 5.045 4.470 0.006 0.000 0.296 565 S C 0.019 173.978 174.600 -1.068 0.000 1.120 565 S CA 0.011 57.588 58.200 -1.037 0.000 0.927 565 S CB 1.015 63.969 63.200 -0.411 0.000 1.114 565 S HN 1.434 nan 8.310 nan 0.000 0.453 566 A N 3.398 125.708 122.820 -0.851 0.000 2.125 566 A HA -0.043 4.280 4.320 0.006 0.000 0.219 566 A C 1.554 179.010 177.584 -0.213 0.000 1.156 566 A CA 1.576 53.402 52.037 -0.352 0.000 0.671 566 A CB -0.353 18.594 19.000 -0.088 0.000 0.794 566 A HN 0.754 nan 8.150 nan 0.000 0.459 567 Q N -0.511 119.154 119.800 -0.224 0.000 2.356 567 Q HA 0.096 4.440 4.340 0.006 0.000 0.205 567 Q C 0.853 176.786 176.000 -0.112 0.000 0.901 567 Q CA 0.448 56.174 55.803 -0.127 0.000 0.938 567 Q CB 0.234 28.915 28.738 -0.095 0.000 1.081 567 Q HN 0.928 nan 8.270 nan 0.000 0.517 568 Q N -0.576 119.127 119.800 -0.162 0.000 2.256 568 Q HA 0.478 4.822 4.340 0.006 0.000 0.232 568 Q C -0.540 175.418 176.000 -0.070 0.000 0.965 568 Q CA -0.606 55.134 55.803 -0.105 0.000 0.908 568 Q CB 0.978 29.641 28.738 -0.126 0.000 1.209 568 Q HN -0.130 nan 8.270 nan 0.000 0.489 569 S N 1.892 117.587 115.700 -0.009 0.000 2.558 569 S HA -0.031 4.442 4.470 0.006 0.000 0.288 569 S C 0.841 175.430 174.600 -0.020 0.000 1.318 569 S CA -0.400 57.812 58.200 0.019 0.000 1.056 569 S CB 0.263 63.550 63.200 0.144 0.000 0.853 569 S HN 0.665 nan 8.310 nan 0.000 0.505 570 N N 2.226 120.905 118.700 -0.035 0.000 2.223 570 N HA -0.137 4.606 4.740 0.006 0.000 0.185 570 N C 2.091 177.572 175.510 -0.047 0.000 1.016 570 N CA 1.441 54.480 53.050 -0.019 0.000 0.863 570 N CB -0.446 37.962 38.487 -0.132 0.000 0.983 570 N HN 0.763 nan 8.380 nan 0.000 0.429 571 S N 1.528 117.094 115.700 -0.223 0.000 2.370 571 S HA -0.076 4.397 4.470 0.006 0.000 0.226 571 S C 2.155 176.680 174.600 -0.125 0.000 1.033 571 S CA 0.749 58.668 58.200 -0.468 0.000 1.011 571 S CB -0.726 62.515 63.200 0.069 0.000 0.852 571 S HN 0.246 nan 8.310 nan 0.000 0.457 572 L N 1.386 122.588 121.223 -0.034 0.000 2.072 572 L HA -0.056 4.288 4.340 0.006 0.000 0.205 572 L C 2.689 179.518 176.870 -0.069 0.000 1.079 572 L CA 1.187 55.994 54.840 -0.056 0.000 0.752 572 L CB -0.965 41.071 42.059 -0.039 0.000 0.906 572 L HN 0.299 nan 8.230 nan 0.000 0.436 573 N N -0.009 118.668 118.700 -0.038 0.000 2.084 573 N HA -0.202 4.542 4.740 0.006 0.000 0.190 573 N C 1.868 177.358 175.510 -0.033 0.000 1.030 573 N CA 1.617 54.655 53.050 -0.020 0.000 0.849 573 N CB -0.449 38.006 38.487 -0.054 0.000 1.012 573 N HN 0.334 nan 8.380 nan 0.000 0.423 574 Y N 0.626 120.909 120.300 -0.027 0.000 2.293 574 Y HA 0.004 4.558 4.550 0.006 0.000 0.291 574 Y C 2.535 178.442 175.900 0.011 0.000 1.137 574 Y CA 1.098 59.257 58.100 0.097 0.000 1.202 574 Y CB -0.564 38.022 38.460 0.209 0.000 0.990 574 Y HN 0.098 nan 8.280 nan 0.000 0.537 575 G N -0.705 107.955 108.800 -0.233 0.000 2.448 575 G HA2 -0.039 3.925 3.960 0.006 0.000 0.218 575 G HA3 -0.039 3.925 3.960 0.006 0.000 0.218 575 G C 1.687 176.456 174.900 -0.218 0.000 1.135 575 G CA 0.854 45.470 45.100 -0.808 0.000 0.784 575 G HN 0.499 nan 8.290 nan 0.000 0.543 576 G N 0.719 109.458 108.800 -0.101 0.000 2.600 576 G HA2 0.150 4.114 3.960 0.006 0.000 0.225 576 G HA3 0.150 4.114 3.960 0.006 0.000 0.225 576 G C 1.447 176.451 174.900 0.174 0.000 1.623 576 G CA 0.467 45.542 45.100 -0.041 0.000 0.903 576 G HN 0.157 nan 8.290 nan 0.000 0.574 577 I N 2.007 122.697 120.570 0.200 0.000 2.361 577 I HA 0.013 4.187 4.170 0.006 0.000 0.251 577 I C 2.705 178.853 176.117 0.051 0.000 1.133 577 I CA 1.604 62.995 61.300 0.151 0.000 1.413 577 I CB -0.505 37.538 38.000 0.071 0.000 1.073 577 I HN 0.211 nan 8.210 nan 0.000 0.424 578 G N 0.227 109.055 108.800 0.047 0.000 2.446 578 G HA2 -0.303 3.660 3.960 0.006 0.000 0.217 578 G HA3 -0.303 3.660 3.960 0.006 0.000 0.217 578 G C 1.671 176.703 174.900 0.219 0.000 1.168 578 G CA 0.944 46.103 45.100 0.098 0.000 0.771 578 G HN 0.397 nan 8.290 nan 0.000 0.551 579 M N 0.911 120.671 119.600 0.265 0.000 2.229 579 M HA -0.014 4.469 4.480 0.006 0.000 0.264 579 M C 2.428 178.963 176.300 0.392 0.000 1.063 579 M CA 1.179 56.688 55.300 0.348 0.000 1.114 579 M CB -0.441 32.398 32.600 0.399 0.000 1.387 579 M HN 0.126 nan 8.290 nan 0.000 0.420 580 V N 0.895 121.018 119.914 0.349 0.000 2.358 580 V HA -0.267 3.857 4.120 0.006 0.000 0.246 580 V C 2.474 178.830 176.094 0.436 0.000 1.047 580 V CA 1.592 64.119 62.300 0.379 0.000 1.035 580 V CB -0.596 31.410 31.823 0.305 0.000 0.658 580 V HN 0.437 nan 8.190 nan 0.000 0.452 581 I N 0.850 121.577 120.570 0.262 0.000 2.226 581 I HA -0.170 4.003 4.170 0.006 0.000 0.245 581 I C 2.567 178.880 176.117 0.326 0.000 1.100 581 I CA 1.756 63.202 61.300 0.244 0.000 1.374 581 I CB -0.867 37.065 38.000 -0.112 0.000 1.057 581 I HN 0.401 nan 8.210 nan 0.000 0.413 582 G N -0.566 108.406 108.800 0.286 0.000 2.408 582 G HA2 -0.311 3.652 3.960 0.006 0.000 0.217 582 G HA3 -0.311 3.652 3.960 0.006 0.000 0.217 582 G C 1.465 176.522 174.900 0.261 0.000 1.150 582 G CA 1.069 46.331 45.100 0.271 0.000 0.776 582 G HN 0.431 nan 8.290 nan 0.000 0.542 583 H N 0.662 119.866 119.070 0.224 0.000 2.290 583 H HA -0.053 4.506 4.556 0.005 0.000 0.298 583 H C 2.547 177.912 175.328 0.061 0.000 1.087 583 H CA 1.994 58.130 56.048 0.146 0.000 1.291 583 H CB 0.211 30.122 29.762 0.248 0.000 1.369 583 H HN 0.222 nan 8.280 nan 0.000 0.492 584 E N 0.532 120.948 120.200 0.359 0.000 2.051 584 E HA -0.145 4.208 4.350 0.006 0.000 0.192 584 E C 2.612 179.253 176.600 0.068 0.000 0.991 584 E CA 1.151 57.730 56.400 0.298 0.000 0.799 584 E CB -0.364 29.507 29.700 0.286 0.000 0.748 584 E HN 0.606 nan 8.360 nan 0.000 0.449 585 I N 1.269 121.888 120.570 0.083 0.000 2.163 585 I HA -0.250 3.923 4.170 0.006 0.000 0.243 585 I C 2.156 178.162 176.117 -0.186 0.000 1.085 585 I CA 1.486 62.743 61.300 -0.070 0.000 1.347 585 I CB -0.428 37.549 38.000 -0.038 0.000 1.044 585 I HN 0.064 nan 8.210 nan 0.000 0.408 586 T N -1.045 113.447 114.554 -0.104 0.000 2.929 586 T HA -0.171 4.182 4.350 0.006 0.000 0.271 586 T C 1.755 176.386 174.700 -0.116 0.000 1.085 586 T CA 0.917 62.976 62.100 -0.069 0.000 1.125 586 T CB -0.383 68.499 68.868 0.024 0.000 0.874 586 T HN 0.313 nan 8.240 nan 0.000 0.494 587 H N 0.751 119.647 119.070 -0.291 0.000 2.491 587 H HA 0.071 4.630 4.556 0.006 0.000 0.290 587 H C 2.476 177.431 175.328 -0.622 0.000 1.050 587 H CA 0.971 56.806 56.048 -0.354 0.000 1.309 587 H CB -0.536 29.054 29.762 -0.287 0.000 1.392 587 H HN 0.455 nan 8.280 nan 0.000 0.554 588 G N -1.303 106.919 108.800 -0.962 0.000 2.598 588 G HA2 -0.123 3.841 3.960 0.006 0.000 0.215 588 G HA3 -0.123 3.841 3.960 0.006 0.000 0.215 588 G C 0.511 174.932 174.900 -0.799 0.000 1.131 588 G CA 0.114 44.596 45.100 -1.030 0.000 0.785 588 G HN 0.259 nan 8.290 nan 0.000 0.539 589 F N 0.767 120.677 119.950 -0.066 0.000 2.791 589 F HA 0.243 4.773 4.527 0.006 0.000 0.316 589 F C 0.465 176.586 175.800 0.535 0.000 1.134 589 F CA -1.269 56.860 58.000 0.215 0.000 1.222 589 F CB 0.371 39.207 39.000 -0.273 0.000 1.034 589 F HN 0.034 nan 8.300 nan 0.000 0.516 590 D N -0.851 119.818 120.400 0.449 0.000 2.507 590 D HA 0.000 4.644 4.640 0.006 0.000 0.280 590 D C 1.245 177.742 176.300 0.327 0.000 1.219 590 D CA -0.178 54.145 54.000 0.537 0.000 1.085 590 D CB 0.158 41.172 40.800 0.356 0.000 1.134 590 D HN 0.070 nan 8.370 nan 0.000 0.583 591 D N -1.453 119.147 120.400 0.333 0.000 2.309 591 D HA -0.222 4.422 4.640 0.006 0.000 0.212 591 D C 0.875 177.182 176.300 0.011 0.000 0.968 591 D CA 0.809 54.889 54.000 0.134 0.000 0.882 591 D CB -0.245 40.663 40.800 0.180 0.000 0.918 591 D HN 0.502 nan 8.370 nan 0.000 0.503 592 N N 0.605 119.362 118.700 0.094 0.000 2.517 592 N HA -0.045 4.698 4.740 0.006 0.000 0.202 592 N C 2.168 177.828 175.510 0.251 0.000 1.042 592 N CA 0.900 54.034 53.050 0.140 0.000 0.952 592 N CB -0.225 38.349 38.487 0.144 0.000 1.211 592 N HN 0.165 nan 8.380 nan 0.000 0.458 593 G N 2.218 111.165 108.800 0.245 0.000 2.442 593 G HA2 -0.308 3.655 3.960 0.006 0.000 0.219 593 G HA3 -0.308 3.655 3.960 0.006 0.000 0.219 593 G C 1.646 176.724 174.900 0.297 0.000 1.141 593 G CA 1.107 46.384 45.100 0.295 0.000 0.763 593 G HN 0.603 nan 8.290 nan 0.000 0.554 594 R N 0.319 120.919 120.500 0.166 0.000 2.200 594 R HA -0.014 4.330 4.340 0.006 0.000 0.234 594 R C 1.630 177.989 176.300 0.098 0.000 1.127 594 R CA 1.488 57.715 56.100 0.212 0.000 0.989 594 R CB -0.534 29.628 30.300 -0.229 0.000 0.869 594 R HN 0.254 nan 8.270 nan 0.000 0.459 595 N N -0.078 118.618 118.700 -0.006 0.000 2.494 595 N HA 0.002 4.745 4.740 0.006 0.000 0.182 595 N C -0.552 174.870 175.510 -0.148 0.000 1.076 595 N CA 0.629 53.565 53.050 -0.190 0.000 0.908 595 N CB 0.126 38.407 38.487 -0.343 0.000 0.967 595 N HN 0.133 nan 8.380 nan 0.000 0.449 596 F N 1.266 121.368 119.950 0.254 0.000 2.450 596 F HA 0.264 4.794 4.527 0.005 0.000 0.332 596 F C 1.070 177.107 175.800 0.395 0.000 1.093 596 F CA -1.245 56.906 58.000 0.251 0.000 1.003 596 F CB 1.018 40.098 39.000 0.133 0.000 1.151 596 F HN -0.066 nan 8.300 nan 0.000 0.474 597 N N 1.737 120.671 118.700 0.389 0.000 2.431 597 N HA 0.185 4.928 4.740 0.006 0.000 0.289 597 N C 0.771 176.257 175.510 -0.040 0.000 1.277 597 N CA -0.728 52.363 53.050 0.069 0.000 0.972 597 N CB 0.748 39.252 38.487 0.028 0.000 1.143 597 N HN 0.720 nan 8.380 nan 0.000 0.578 598 K N -1.034 119.264 120.400 -0.170 0.000 2.218 598 K HA -0.146 4.178 4.320 0.006 0.000 0.205 598 K C -0.116 176.445 176.600 -0.065 0.000 1.046 598 K CA 1.649 57.858 56.287 -0.131 0.000 0.933 598 K CB -0.141 32.270 32.500 -0.148 0.000 0.728 598 K HN 0.462 nan 8.250 nan 0.000 0.454 599 D N -0.080 120.299 120.400 -0.035 0.000 2.395 599 D HA 0.116 4.759 4.640 0.006 0.000 0.213 599 D C 0.727 177.026 176.300 -0.002 0.000 1.110 599 D CA 0.648 54.634 54.000 -0.024 0.000 0.835 599 D CB 0.964 41.752 40.800 -0.019 0.000 0.965 599 D HN 0.492 nan 8.370 nan 0.000 0.505 600 G N 1.332 110.155 108.800 0.038 0.000 2.143 600 G HA2 -0.220 3.743 3.960 0.006 0.000 0.249 600 G HA3 -0.220 3.743 3.960 0.006 0.000 0.249 600 G C -0.300 174.738 174.900 0.231 0.000 0.981 600 G CA -0.288 44.855 45.100 0.072 0.000 0.665 600 G HN 0.189 nan 8.290 nan 0.000 0.528 601 D N 0.099 120.625 120.400 0.210 0.000 2.225 601 D HA 0.343 4.987 4.640 0.006 0.000 0.248 601 D C 0.763 177.158 176.300 0.157 0.000 1.096 601 D CA -0.460 53.648 54.000 0.181 0.000 0.863 601 D CB 1.369 42.209 40.800 0.066 0.000 1.156 601 D HN 0.176 nan 8.370 nan 0.000 0.450 602 L N 3.439 124.652 121.223 -0.017 0.000 2.515 602 L HA 0.190 4.533 4.340 0.006 0.000 0.281 602 L C -0.662 176.056 176.870 -0.253 0.000 1.131 602 L CA 0.215 54.777 54.840 -0.464 0.000 0.905 602 L CB 0.069 41.807 42.059 -0.535 0.000 1.246 602 L HN 0.059 nan 8.230 nan 0.000 0.463 603 V N 4.539 124.373 119.914 -0.134 0.000 2.924 603 V HA 0.247 4.370 4.120 0.006 0.000 0.300 603 V C -0.991 175.147 176.094 0.073 0.000 1.227 603 V CA -0.921 61.364 62.300 -0.025 0.000 0.954 603 V CB 2.375 34.218 31.823 0.033 0.000 1.055 603 V HN 0.641 nan 8.190 nan 0.000 0.429 604 D N 6.740 127.156 120.400 0.027 0.000 2.358 604 D HA 0.190 4.833 4.640 0.006 0.000 0.258 604 D C 0.527 176.934 176.300 0.179 0.000 1.223 604 D CA -0.059 53.963 54.000 0.037 0.000 0.886 604 D CB 0.525 41.327 40.800 0.003 0.000 1.120 604 D HN 0.720 nan 8.370 nan 0.000 0.482 605 W N 3.110 124.522 121.300 0.187 0.000 2.653 605 W HA 0.279 4.942 4.660 0.005 0.000 0.391 605 W C -0.990 175.529 176.519 0.001 0.000 0.962 605 W CA -0.903 56.480 57.345 0.063 0.000 1.900 605 W CB -1.013 28.446 29.460 -0.002 0.000 1.176 605 W HN 0.191 nan 8.180 nan 0.000 0.582 606 W N 3.035 124.250 121.300 -0.141 0.000 2.551 606 W HA 0.426 5.090 4.660 0.006 0.000 0.330 606 W C 0.860 177.370 176.519 -0.016 0.000 1.063 606 W CA -0.389 56.880 57.345 -0.126 0.000 1.222 606 W CB 1.218 30.496 29.460 -0.304 0.000 1.349 606 W HN -0.234 nan 8.180 nan 0.000 0.536 607 T N -1.153 113.538 114.554 0.229 0.000 2.868 607 T HA 0.120 4.474 4.350 0.006 0.000 0.292 607 T C 0.858 175.663 174.700 0.175 0.000 1.028 607 T CA -0.425 61.772 62.100 0.162 0.000 1.059 607 T CB 1.150 70.095 68.868 0.128 0.000 0.991 607 T HN 0.593 nan 8.240 nan 0.000 0.531 608 Q N 0.046 119.914 119.800 0.113 0.000 2.152 608 Q HA -0.231 4.112 4.340 0.006 0.000 0.206 608 Q C 2.351 178.413 176.000 0.103 0.000 0.985 608 Q CA 1.724 57.579 55.803 0.087 0.000 0.863 608 Q CB -0.228 28.543 28.738 0.056 0.000 0.904 608 Q HN 0.754 nan 8.270 nan 0.000 0.422 609 Q N 0.177 120.047 119.800 0.116 0.000 2.046 609 Q HA -0.086 4.257 4.340 0.006 0.000 0.200 609 Q C 2.051 178.168 176.000 0.196 0.000 0.975 609 Q CA 1.826 57.704 55.803 0.125 0.000 0.836 609 Q CB -0.164 28.639 28.738 0.108 0.000 0.896 609 Q HN 0.190 nan 8.270 nan 0.000 0.428 610 S N 0.053 115.917 115.700 0.274 0.000 2.382 610 S HA -0.121 4.353 4.470 0.006 0.000 0.228 610 S C 1.874 176.799 174.600 0.541 0.000 1.027 610 S CA 0.923 59.406 58.200 0.471 0.000 0.991 610 S CB -0.524 62.975 63.200 0.499 0.000 0.823 610 S HN 0.577 nan 8.310 nan 0.000 0.469 611 A N 1.012 124.042 122.820 0.351 0.000 1.902 611 A HA -0.096 4.227 4.320 0.006 0.000 0.217 611 A C 2.293 179.888 177.584 0.017 0.000 1.181 611 A CA 1.970 54.019 52.037 0.020 0.000 0.623 611 A CB -1.077 17.892 19.000 -0.052 0.000 0.818 611 A HN 0.498 nan 8.150 nan 0.000 0.443 612 S N 0.226 115.964 115.700 0.064 0.000 2.368 612 S HA -0.190 4.284 4.470 0.006 0.000 0.225 612 S C 1.865 176.476 174.600 0.018 0.000 1.030 612 S CA 1.671 59.886 58.200 0.026 0.000 0.999 612 S CB -0.593 62.627 63.200 0.033 0.000 0.844 612 S HN 0.619 nan 8.310 nan 0.000 0.459 613 N N 0.656 119.413 118.700 0.095 0.000 2.188 613 N HA -0.031 4.713 4.740 0.006 0.000 0.184 613 N C 1.358 176.762 175.510 -0.177 0.000 1.018 613 N CA 1.119 54.198 53.050 0.049 0.000 0.858 613 N CB -0.794 37.857 38.487 0.274 0.000 0.989 613 N HN 0.546 nan 8.380 nan 0.000 0.426 614 F N 2.285 122.105 119.950 -0.217 0.000 2.069 614 F HA -0.181 4.349 4.527 0.006 0.000 0.298 614 F C 1.973 177.490 175.800 -0.473 0.000 1.113 614 F CA 1.595 59.289 58.000 -0.510 0.000 1.214 614 F CB -0.009 38.707 39.000 -0.472 0.000 0.978 614 F HN -0.071 nan 8.300 nan 0.000 0.474 615 K N -0.039 120.288 120.400 -0.120 0.000 2.097 615 K HA -0.197 4.126 4.320 0.006 0.000 0.206 615 K C 2.014 178.437 176.600 -0.295 0.000 1.049 615 K CA 1.813 57.995 56.287 -0.176 0.000 0.933 615 K CB -0.346 32.102 32.500 -0.087 0.000 0.717 615 K HN 0.422 nan 8.250 nan 0.000 0.442 616 E N 0.532 120.564 120.200 -0.280 0.000 2.072 616 E HA -0.169 4.185 4.350 0.006 0.000 0.191 616 E C 2.233 178.607 176.600 -0.376 0.000 0.985 616 E CA 0.886 57.125 56.400 -0.269 0.000 0.801 616 E CB 0.171 29.755 29.700 -0.192 0.000 0.750 616 E HN 0.235 nan 8.360 nan 0.000 0.452 617 Q N 0.099 119.552 119.800 -0.579 0.000 2.119 617 Q HA -0.071 4.272 4.340 0.006 0.000 0.201 617 Q C 2.324 177.957 176.000 -0.612 0.000 0.972 617 Q CA 0.976 56.367 55.803 -0.688 0.000 0.847 617 Q CB -0.281 27.747 28.738 -1.182 0.000 0.903 617 Q HN 0.106 nan 8.270 nan 0.000 0.433 618 S N 1.305 116.581 115.700 -0.707 0.000 2.368 618 S HA -0.184 4.290 4.470 0.006 0.000 0.225 618 S C 1.881 176.246 174.600 -0.393 0.000 1.030 618 S CA 1.239 59.099 58.200 -0.567 0.000 0.999 618 S CB -0.144 62.705 63.200 -0.585 0.000 0.844 618 S HN 0.280 nan 8.310 nan 0.000 0.459 619 Q N 0.929 120.496 119.800 -0.388 0.000 2.173 619 Q HA -0.175 4.168 4.340 0.006 0.000 0.208 619 Q C 2.269 178.027 176.000 -0.403 0.000 0.989 619 Q CA 1.670 57.218 55.803 -0.425 0.000 0.872 619 Q CB -1.149 27.364 28.738 -0.376 0.000 0.909 619 Q HN 0.600 nan 8.270 nan 0.000 0.420 620 c N -0.698 117.750 118.600 -0.254 0.000 2.413 620 c HA -0.107 4.467 4.570 0.006 0.000 0.277 620 c C 2.410 176.440 174.090 -0.100 0.000 1.265 620 c CA 1.213 57.465 56.329 -0.128 0.000 1.752 620 c CB -0.837 41.593 42.510 -0.134 0.000 1.998 620 c HN 0.665 nan 8.230 nan 0.000 0.489 621 M N -0.446 119.078 119.600 -0.127 0.000 2.288 621 M HA -0.054 4.429 4.480 0.006 0.000 0.266 621 M C 2.074 178.368 176.300 -0.011 0.000 1.072 621 M CA 1.043 56.342 55.300 -0.002 0.000 1.132 621 M CB -0.328 32.247 32.600 -0.042 0.000 1.386 621 M HN 0.256 nan 8.290 nan 0.000 0.432 622 V N -0.319 119.488 119.914 -0.178 0.000 2.295 622 V HA -0.278 3.845 4.120 0.006 0.000 0.246 622 V C 2.127 178.142 176.094 -0.132 0.000 1.049 622 V CA 1.905 64.077 62.300 -0.214 0.000 1.024 622 V CB -0.748 30.848 31.823 -0.379 0.000 0.648 622 V HN 0.336 nan 8.190 nan 0.000 0.447 623 Y N 0.172 120.403 120.300 -0.116 0.000 2.263 623 Y HA -0.157 4.396 4.550 0.006 0.000 0.292 623 Y C 2.615 178.381 175.900 -0.223 0.000 1.130 623 Y CA 1.244 59.250 58.100 -0.155 0.000 1.179 623 Y CB -0.903 37.469 38.460 -0.147 0.000 0.998 623 Y HN 0.319 nan 8.280 nan 0.000 0.532 624 Q N -0.672 119.086 119.800 -0.070 0.000 2.030 624 Q HA -0.243 4.100 4.340 0.006 0.000 0.204 624 Q C 1.784 177.361 176.000 -0.704 0.000 0.986 624 Q CA 2.144 57.740 55.803 -0.346 0.000 0.843 624 Q CB -0.456 28.113 28.738 -0.281 0.000 0.904 624 Q HN 0.500 nan 8.270 nan 0.000 0.420 625 Y N -0.382 119.634 120.300 -0.474 0.000 2.314 625 Y HA 0.041 4.595 4.550 0.006 0.000 0.293 625 Y C 2.378 178.094 175.900 -0.307 0.000 1.129 625 Y CA 1.109 58.952 58.100 -0.429 0.000 1.201 625 Y CB -0.538 37.857 38.460 -0.109 0.000 0.999 625 Y HN 0.309 nan 8.280 nan 0.000 0.541 626 G N -0.367 108.393 108.800 -0.068 0.000 2.470 626 G HA2 -0.238 3.725 3.960 0.006 0.000 0.220 626 G HA3 -0.238 3.725 3.960 0.006 0.000 0.220 626 G C 1.514 176.331 174.900 -0.137 0.000 1.121 626 G CA 0.842 45.908 45.100 -0.056 0.000 0.766 626 G HN 0.359 nan 8.290 nan 0.000 0.553 627 N N -0.364 118.190 118.700 -0.244 0.000 2.422 627 N HA 0.053 4.797 4.740 0.006 0.000 0.181 627 N C -0.408 175.108 175.510 0.009 0.000 1.080 627 N CA -0.021 52.900 53.050 -0.215 0.000 0.893 627 N CB 0.123 38.450 38.487 -0.266 0.000 0.973 627 N HN 0.098 nan 8.380 nan 0.000 0.456 628 F N 1.700 121.594 119.950 -0.093 0.000 2.467 628 F HA 0.103 4.633 4.527 0.005 0.000 0.362 628 F C 1.077 176.726 175.800 -0.252 0.000 1.090 628 F CA -1.236 56.548 58.000 -0.360 0.000 1.202 628 F CB 0.601 38.934 39.000 -1.111 0.000 1.113 628 F HN -0.180 nan 8.300 nan 0.000 0.541 629 S N 3.361 119.076 115.700 0.025 0.000 2.475 629 S HA 0.432 4.905 4.470 0.006 0.000 0.298 629 S C -1.267 173.423 174.600 0.149 0.000 1.119 629 S CA -0.780 57.346 58.200 -0.123 0.000 1.085 629 S CB 1.058 64.079 63.200 -0.297 0.000 1.028 629 S HN 0.560 nan 8.310 nan 0.000 0.489 630 W N 4.797 126.073 121.300 -0.040 0.000 2.291 630 W HA 0.338 5.001 4.660 0.005 0.000 0.312 630 W C 0.345 176.880 176.519 0.026 0.000 1.061 630 W CA -1.554 55.856 57.345 0.108 0.000 1.296 630 W CB 0.832 30.342 29.460 0.083 0.000 1.223 630 W HN 0.955 nan 8.180 nan 0.000 0.421 631 D N 3.220 123.775 120.400 0.258 0.000 2.117 631 D HA -0.268 4.375 4.640 0.006 0.000 0.197 631 D C 1.814 178.005 176.300 -0.182 0.000 0.987 631 D CA 1.532 55.548 54.000 0.028 0.000 0.829 631 D CB -0.585 40.257 40.800 0.071 0.000 0.961 631 D HN 0.508 nan 8.370 nan 0.000 0.460 632 L N 0.049 121.016 121.223 -0.426 0.000 2.127 632 L HA -0.042 4.301 4.340 0.006 0.000 0.211 632 L C 2.183 178.656 176.870 -0.662 0.000 1.089 632 L CA 1.217 55.708 54.840 -0.581 0.000 0.757 632 L CB -0.493 41.121 42.059 -0.742 0.000 0.899 632 L HN 0.104 nan 8.230 nan 0.000 0.434 633 A N -0.136 122.211 122.820 -0.787 0.000 2.476 633 A HA 0.431 4.755 4.320 0.006 0.000 0.263 633 A C 1.467 178.897 177.584 -0.256 0.000 1.342 633 A CA 0.420 52.161 52.037 -0.492 0.000 0.926 633 A CB -0.630 18.149 19.000 -0.368 0.000 1.019 633 A HN 0.474 nan 8.150 nan 0.000 0.515 634 G N -1.528 107.139 108.800 -0.222 0.000 2.221 634 G HA2 0.117 4.080 3.960 0.006 0.000 0.265 634 G HA3 0.117 4.080 3.960 0.006 0.000 0.265 634 G C 1.435 176.271 174.900 -0.106 0.000 1.041 634 G CA 0.777 45.788 45.100 -0.148 0.000 0.807 634 G HN 2.130 nan 8.290 nan 0.000 0.502 635 G N -1.856 106.896 108.800 -0.080 0.000 2.179 635 G HA2 -0.280 3.683 3.960 0.006 0.000 0.260 635 G HA3 -0.280 3.683 3.960 0.006 0.000 0.260 635 G C 0.523 175.338 174.900 -0.141 0.000 0.977 635 G CA 1.112 46.165 45.100 -0.078 0.000 0.641 635 G HN 1.220 nan 8.290 nan 0.000 0.533 636 Q N 0.485 120.230 119.800 -0.092 0.000 2.474 636 Q HA 0.312 4.655 4.340 0.006 0.000 0.256 636 Q C 0.268 176.206 176.000 -0.104 0.000 1.048 636 Q CA -0.060 55.696 55.803 -0.077 0.000 0.922 636 Q CB 0.482 29.218 28.738 -0.003 0.000 1.288 636 Q HN 0.562 nan 8.270 nan 0.000 0.484 637 H N 0.902 120.005 119.070 0.054 0.000 2.505 637 H HA 0.238 4.797 4.556 0.005 0.000 0.351 637 H C 0.218 175.568 175.328 0.036 0.000 1.151 637 H CA -0.287 55.780 56.048 0.031 0.000 1.339 637 H CB 0.666 30.431 29.762 0.005 0.000 1.483 637 H HN 0.426 nan 8.280 nan 0.000 0.558 638 L N 1.550 122.845 121.223 0.120 0.000 2.476 638 L HA 0.004 4.348 4.340 0.006 0.000 0.264 638 L C 1.246 178.162 176.870 0.077 0.000 1.224 638 L CA -0.149 54.732 54.840 0.069 0.000 0.821 638 L CB 0.150 42.216 42.059 0.011 0.000 1.101 638 L HN 0.509 nan 8.230 nan 0.000 0.488 639 N N 0.625 119.356 118.700 0.052 0.000 2.437 639 N HA 0.096 4.839 4.740 0.006 0.000 0.243 639 N C 0.702 176.212 175.510 0.001 0.000 1.041 639 N CA 0.078 53.146 53.050 0.031 0.000 0.940 639 N CB 1.709 40.213 38.487 0.027 0.000 1.133 639 N HN 0.736 nan 8.380 nan 0.000 0.506 640 G N 3.618 112.414 108.800 -0.007 0.000 2.443 640 G HA2 -0.134 3.830 3.960 0.006 0.000 0.219 640 G HA3 -0.134 3.830 3.960 0.006 0.000 0.219 640 G C 1.473 176.323 174.900 -0.084 0.000 1.131 640 G CA 0.448 45.526 45.100 -0.036 0.000 0.775 640 G HN 0.660 nan 8.290 nan 0.000 0.547 641 I N 0.574 121.102 120.570 -0.069 0.000 2.339 641 I HA -0.059 4.115 4.170 0.006 0.000 0.245 641 I C 2.252 178.332 176.117 -0.063 0.000 1.096 641 I CA 0.528 61.782 61.300 -0.076 0.000 1.408 641 I CB -0.133 37.830 38.000 -0.061 0.000 1.092 641 I HN 0.015 nan 8.210 nan 0.000 0.423 642 N N 0.553 119.226 118.700 -0.045 0.000 2.244 642 N HA -0.121 4.622 4.740 0.006 0.000 0.183 642 N C 1.743 177.215 175.510 -0.064 0.000 1.016 642 N CA 1.881 54.907 53.050 -0.041 0.000 0.866 642 N CB -0.466 38.010 38.487 -0.018 0.000 0.980 642 N HN 0.424 nan 8.380 nan 0.000 0.430 643 T N -1.878 112.626 114.554 -0.083 0.000 3.107 643 T HA 0.135 4.489 4.350 0.006 0.000 0.249 643 T C 1.750 176.342 174.700 -0.179 0.000 1.096 643 T CA -0.231 61.793 62.100 -0.127 0.000 1.012 643 T CB -0.130 68.657 68.868 -0.135 0.000 0.977 643 T HN -0.050 nan 8.240 nan 0.000 0.527 644 L N 2.808 123.943 121.223 -0.148 0.000 1.978 644 L HA 0.058 4.401 4.340 0.006 0.000 0.218 644 L C 2.582 179.394 176.870 -0.097 0.000 1.075 644 L CA 2.405 57.154 54.840 -0.152 0.000 0.767 644 L CB -1.335 40.659 42.059 -0.109 0.000 0.890 644 L HN 0.355 nan 8.230 nan 0.000 0.434 645 G N -1.188 107.600 108.800 -0.019 0.000 2.476 645 G HA2 -0.286 3.677 3.960 0.006 0.000 0.218 645 G HA3 -0.286 3.677 3.960 0.006 0.000 0.218 645 G C 1.418 176.343 174.900 0.041 0.000 1.164 645 G CA 0.876 46.018 45.100 0.070 0.000 0.768 645 G HN 0.502 nan 8.290 nan 0.000 0.560 646 E N 1.064 121.271 120.200 0.012 0.000 2.110 646 E HA -0.090 4.263 4.350 0.006 0.000 0.193 646 E C 2.466 179.038 176.600 -0.048 0.000 0.988 646 E CA 0.770 57.189 56.400 0.031 0.000 0.804 646 E CB -0.349 29.366 29.700 0.025 0.000 0.745 646 E HN 0.352 nan 8.360 nan 0.000 0.458 647 N N 0.812 119.398 118.700 -0.191 0.000 2.244 647 N HA -0.062 4.682 4.740 0.006 0.000 0.183 647 N C 2.062 177.503 175.510 -0.115 0.000 1.016 647 N CA 0.576 53.437 53.050 -0.314 0.000 0.866 647 N CB -0.179 37.797 38.487 -0.853 0.000 0.980 647 N HN 0.222 nan 8.380 nan 0.000 0.430 648 I N 0.935 121.461 120.570 -0.072 0.000 2.252 648 I HA -0.194 3.980 4.170 0.006 0.000 0.245 648 I C 2.259 178.422 176.117 0.078 0.000 1.102 648 I CA 0.815 62.142 61.300 0.045 0.000 1.385 648 I CB -0.222 37.857 38.000 0.132 0.000 1.064 648 I HN 0.053 nan 8.210 nan 0.000 0.414 649 A N 0.421 123.175 122.820 -0.109 0.000 1.902 649 A HA -0.237 4.086 4.320 0.006 0.000 0.217 649 A C 1.946 179.510 177.584 -0.034 0.000 1.181 649 A CA 2.028 53.858 52.037 -0.345 0.000 0.623 649 A CB -0.569 17.660 19.000 -1.284 0.000 0.818 649 A HN 0.318 nan 8.150 nan 0.000 0.443 650 D N 0.111 120.596 120.400 0.142 0.000 2.084 650 D HA -0.126 4.517 4.640 0.006 0.000 0.194 650 D C 1.829 178.290 176.300 0.269 0.000 0.990 650 D CA 1.212 55.423 54.000 0.352 0.000 0.826 650 D CB -0.400 40.567 40.800 0.278 0.000 0.971 650 D HN 0.437 nan 8.370 nan 0.000 0.453 651 N N 0.236 119.055 118.700 0.199 0.000 2.142 651 N HA -0.092 4.651 4.740 0.006 0.000 0.186 651 N C 1.920 177.555 175.510 0.208 0.000 1.023 651 N CA 1.243 54.402 53.050 0.181 0.000 0.852 651 N CB -0.229 38.350 38.487 0.153 0.000 0.998 651 N HN 0.197 nan 8.380 nan 0.000 0.424 652 G N 0.596 109.545 108.800 0.249 0.000 2.404 652 G HA2 -0.143 3.820 3.960 0.006 0.000 0.215 652 G HA3 -0.143 3.820 3.960 0.006 0.000 0.215 652 G C 1.587 176.660 174.900 0.290 0.000 1.174 652 G CA 1.010 46.304 45.100 0.324 0.000 0.780 652 G HN 0.386 nan 8.290 nan 0.000 0.537 653 G N 0.805 109.766 108.800 0.269 0.000 2.440 653 G HA2 -0.168 3.795 3.960 0.006 0.000 0.218 653 G HA3 -0.168 3.795 3.960 0.006 0.000 0.218 653 G C 1.772 176.856 174.900 0.307 0.000 1.154 653 G CA 1.093 46.373 45.100 0.299 0.000 0.767 653 G HN 0.404 nan 8.290 nan 0.000 0.552 654 L N 1.429 122.809 121.223 0.261 0.000 2.056 654 L HA 0.182 4.525 4.340 0.006 0.000 0.207 654 L C 2.794 179.848 176.870 0.307 0.000 1.078 654 L CA 2.263 57.227 54.840 0.207 0.000 0.749 654 L CB -0.872 41.135 42.059 -0.087 0.000 0.901 654 L HN 0.161 nan 8.230 nan 0.000 0.433 655 G N -1.498 107.458 108.800 0.260 0.000 2.402 655 G HA2 -0.260 3.704 3.960 0.006 0.000 0.216 655 G HA3 -0.260 3.704 3.960 0.006 0.000 0.216 655 G C 1.436 176.506 174.900 0.283 0.000 1.162 655 G CA 0.743 46.003 45.100 0.266 0.000 0.777 655 G HN 0.524 nan 8.290 nan 0.000 0.539 656 Q N 0.287 120.252 119.800 0.276 0.000 2.084 656 Q HA 0.015 4.358 4.340 0.006 0.000 0.202 656 Q C 2.978 179.146 176.000 0.280 0.000 0.978 656 Q CA 1.436 57.394 55.803 0.259 0.000 0.844 656 Q CB -0.282 28.622 28.738 0.276 0.000 0.898 656 Q HN 0.470 nan 8.270 nan 0.000 0.426 657 A N 0.067 123.102 122.820 0.358 0.000 1.898 657 A HA -0.217 4.107 4.320 0.006 0.000 0.216 657 A C 1.914 179.735 177.584 0.395 0.000 1.181 657 A CA 1.315 53.628 52.037 0.461 0.000 0.620 657 A CB -0.846 18.484 19.000 0.550 0.000 0.819 657 A HN 0.498 nan 8.150 nan 0.000 0.442 658 Y N 0.225 120.606 120.300 0.135 0.000 2.145 658 Y HA -0.197 4.356 4.550 0.006 0.000 0.286 658 Y C 2.540 178.340 175.900 -0.165 0.000 1.145 658 Y CA 2.138 60.011 58.100 -0.379 0.000 1.148 658 Y CB -0.369 37.870 38.460 -0.369 0.000 0.981 658 Y HN 0.270 nan 8.280 nan 0.000 0.507 659 R N -0.175 120.333 120.500 0.013 0.000 2.091 659 R HA -0.200 4.143 4.340 0.006 0.000 0.238 659 R C 2.430 178.670 176.300 -0.100 0.000 1.136 659 R CA 1.412 57.487 56.100 -0.043 0.000 0.959 659 R CB -0.581 29.765 30.300 0.077 0.000 0.856 659 R HN 0.462 nan 8.270 nan 0.000 0.437 660 A N -0.283 122.541 122.820 0.006 0.000 1.902 660 A HA -0.219 4.104 4.320 0.006 0.000 0.217 660 A C 1.966 179.417 177.584 -0.222 0.000 1.181 660 A CA 1.289 53.349 52.037 0.038 0.000 0.623 660 A CB -0.806 18.365 19.000 0.285 0.000 0.818 660 A HN 0.543 nan 8.150 nan 0.000 0.443 661 Y N 0.718 120.648 120.300 -0.617 0.000 2.181 661 Y HA -0.224 4.329 4.550 0.006 0.000 0.288 661 Y C 2.456 178.032 175.900 -0.539 0.000 1.146 661 Y CA 2.048 59.592 58.100 -0.927 0.000 1.164 661 Y CB -0.647 37.342 38.460 -0.785 0.000 0.982 661 Y HN 0.468 nan 8.280 nan 0.000 0.515 662 Q N -0.352 119.057 119.800 -0.652 0.000 2.084 662 Q HA -0.210 4.134 4.340 0.006 0.000 0.202 662 Q C 1.920 177.697 176.000 -0.371 0.000 0.978 662 Q CA 1.473 56.929 55.803 -0.579 0.000 0.844 662 Q CB -0.220 28.222 28.738 -0.494 0.000 0.898 662 Q HN 0.476 nan 8.270 nan 0.000 0.426 663 N N 0.126 118.674 118.700 -0.254 0.000 2.120 663 N HA -0.185 4.559 4.740 0.006 0.000 0.188 663 N C 1.443 176.866 175.510 -0.144 0.000 1.024 663 N CA 1.110 54.071 53.050 -0.148 0.000 0.852 663 N CB -0.502 37.949 38.487 -0.060 0.000 1.003 663 N HN 0.336 nan 8.380 nan 0.000 0.424 664 Y N 1.450 121.586 120.300 -0.273 0.000 2.128 664 Y HA -0.110 4.443 4.550 0.006 0.000 0.284 664 Y C 2.155 177.903 175.900 -0.253 0.000 1.154 664 Y CA 1.467 59.443 58.100 -0.207 0.000 1.149 664 Y CB -0.336 37.998 38.460 -0.210 0.000 0.976 664 Y HN -0.013 nan 8.280 nan 0.000 0.505 665 I N 0.429 120.759 120.570 -0.400 0.000 2.179 665 I HA -0.334 3.839 4.170 0.006 0.000 0.242 665 I C 2.595 178.512 176.117 -0.335 0.000 1.088 665 I CA 1.843 62.888 61.300 -0.425 0.000 1.357 665 I CB -0.507 37.201 38.000 -0.487 0.000 1.051 665 I HN 0.219 nan 8.210 nan 0.000 0.409 666 K N 1.326 121.558 120.400 -0.279 0.000 2.032 666 K HA -0.254 4.069 4.320 0.006 0.000 0.209 666 K C 2.260 178.743 176.600 -0.194 0.000 1.048 666 K CA 1.653 57.820 56.287 -0.200 0.000 0.927 666 K CB -0.053 32.350 32.500 -0.161 0.000 0.712 666 K HN 0.122 nan 8.250 nan 0.000 0.441 667 K N -0.348 119.916 120.400 -0.226 0.000 2.228 667 K HA -0.035 4.289 4.320 0.006 0.000 0.202 667 K C 0.937 177.378 176.600 -0.266 0.000 1.051 667 K CA 0.944 57.108 56.287 -0.206 0.000 0.960 667 K CB 0.241 32.642 32.500 -0.165 0.000 0.743 667 K HN 0.227 nan 8.250 nan 0.000 0.458 668 N N -0.454 117.991 118.700 -0.425 0.000 2.193 668 N HA 0.075 4.819 4.740 0.006 0.000 0.210 668 N C -0.006 175.324 175.510 -0.300 0.000 1.215 668 N CA 0.735 53.525 53.050 -0.433 0.000 0.901 668 N CB 1.644 39.652 38.487 -0.798 0.000 1.060 668 N HN 0.240 nan 8.380 nan 0.000 0.508 669 G N 1.824 110.464 108.800 -0.267 0.000 2.690 669 G HA2 -0.196 3.768 3.960 0.006 0.000 0.686 669 G HA3 -0.196 3.768 3.960 0.006 0.000 0.686 669 G C -0.709 174.116 174.900 -0.125 0.000 1.277 669 G CA -0.714 44.291 45.100 -0.159 0.000 0.799 669 G HN 0.151 nan 8.290 nan 0.000 0.613 670 E N 0.436 120.596 120.200 -0.067 0.000 2.438 670 E HA 0.396 4.750 4.350 0.006 0.000 0.261 670 E C 0.990 177.605 176.600 0.024 0.000 1.103 670 E CA 0.490 56.883 56.400 -0.012 0.000 0.959 670 E CB 0.301 30.016 29.700 0.026 0.000 0.958 670 E HN 0.487 nan 8.360 nan 0.000 0.447 671 E N 1.675 121.894 120.200 0.031 0.000 2.227 671 E HA 0.244 4.597 4.350 0.006 0.000 0.268 671 E C -0.469 176.206 176.600 0.125 0.000 0.990 671 E CA -0.874 55.525 56.400 -0.002 0.000 0.856 671 E CB 1.128 30.649 29.700 -0.298 0.000 1.159 671 E HN 0.282 nan 8.360 nan 0.000 0.401 672 K N 1.663 122.143 120.400 0.132 0.000 2.401 672 K HA 0.082 4.405 4.320 0.006 0.000 0.278 672 K C -0.272 176.518 176.600 0.317 0.000 1.018 672 K CA -0.218 56.172 56.287 0.171 0.000 0.981 672 K CB 0.219 32.787 32.500 0.114 0.000 0.933 672 K HN 0.209 nan 8.250 nan 0.000 0.477 673 L N 2.728 124.095 121.223 0.239 0.000 2.472 673 L HA 0.212 4.555 4.340 0.006 0.000 0.260 673 L C 0.436 177.369 176.870 0.104 0.000 1.209 673 L CA -0.167 54.767 54.840 0.157 0.000 0.817 673 L CB -0.145 41.945 42.059 0.052 0.000 1.106 673 L HN 0.338 nan 8.230 nan 0.000 0.479 674 L N 2.895 124.131 121.223 0.022 0.000 2.326 674 L HA 0.371 4.715 4.340 0.006 0.000 0.278 674 L C -1.918 174.964 176.870 0.021 0.000 1.092 674 L CA -1.748 53.111 54.840 0.033 0.000 0.810 674 L CB 0.925 42.993 42.059 0.015 0.000 1.153 674 L HN 0.454 nan 8.230 nan 0.000 0.439 675 P HA 0.099 nan 4.420 nan 0.000 0.275 675 P C 0.591 177.901 177.300 0.016 0.000 1.227 675 P CA 0.275 63.388 63.100 0.022 0.000 0.781 675 P CB 1.356 33.069 31.700 0.021 0.000 0.906 676 G N 1.831 110.641 108.800 0.016 0.000 2.176 676 G HA2 -0.215 3.749 3.960 0.006 0.000 0.253 676 G HA3 -0.215 3.749 3.960 0.006 0.000 0.253 676 G C -0.265 174.646 174.900 0.018 0.000 0.979 676 G CA -0.095 45.014 45.100 0.014 0.000 0.641 676 G HN 0.495 nan 8.290 nan 0.000 0.530 677 L N 1.114 122.350 121.223 0.022 0.000 2.376 677 L HA 0.454 4.797 4.340 0.006 0.000 0.275 677 L C -0.750 176.144 176.870 0.041 0.000 0.987 677 L CA -0.898 53.962 54.840 0.034 0.000 0.828 677 L CB 1.855 43.931 42.059 0.029 0.000 1.249 677 L HN -0.063 nan 8.230 nan 0.000 0.409 678 D N 5.753 126.191 120.400 0.064 0.000 3.057 678 D HA 0.344 4.987 4.640 0.006 0.000 0.246 678 D C -0.420 175.928 176.300 0.080 0.000 1.238 678 D CA 0.337 54.376 54.000 0.065 0.000 0.949 678 D CB 0.391 41.233 40.800 0.072 0.000 1.086 678 D HN 0.247 nan 8.370 nan 0.000 0.487 679 L N 1.216 122.474 121.223 0.060 0.000 2.401 679 L HA 0.289 4.632 4.340 0.006 0.000 0.266 679 L C 0.242 177.105 176.870 -0.012 0.000 0.991 679 L CA -1.184 53.687 54.840 0.052 0.000 0.818 679 L CB 2.052 44.189 42.059 0.130 0.000 1.321 679 L HN -0.015 nan 8.230 nan 0.000 0.413 680 N N -1.047 117.643 118.700 -0.017 0.000 2.418 680 N HA 0.159 4.902 4.740 0.006 0.000 0.283 680 N C 0.693 176.194 175.510 -0.015 0.000 1.267 680 N CA -0.492 52.550 53.050 -0.013 0.000 0.975 680 N CB 0.327 38.841 38.487 0.046 0.000 1.167 680 N HN 0.440 nan 8.380 nan 0.000 0.581 681 H N -0.758 118.416 119.070 0.173 0.000 2.457 681 H HA 0.038 4.598 4.556 0.006 0.000 0.294 681 H C 0.911 176.434 175.328 0.325 0.000 1.064 681 H CA 1.106 57.303 56.048 0.250 0.000 1.330 681 H CB 0.245 30.198 29.762 0.318 0.000 1.395 681 H HN 0.577 nan 8.280 nan 0.000 0.541 682 K N 0.585 121.216 120.400 0.385 0.000 2.097 682 K HA -0.108 4.215 4.320 0.006 0.000 0.205 682 K C 2.195 179.066 176.600 0.452 0.000 1.050 682 K CA 0.905 57.445 56.287 0.422 0.000 0.938 682 K CB 0.090 32.796 32.500 0.343 0.000 0.718 682 K HN 0.364 nan 8.250 nan 0.000 0.442 683 Q N 0.556 120.508 119.800 0.253 0.000 2.123 683 Q HA -0.043 4.301 4.340 0.006 0.000 0.199 683 Q C 2.099 178.430 176.000 0.552 0.000 0.966 683 Q CA 0.901 56.845 55.803 0.235 0.000 0.845 683 Q CB 0.021 28.601 28.738 -0.264 0.000 0.907 683 Q HN 0.275 nan 8.270 nan 0.000 0.439 684 L N -0.260 121.175 121.223 0.353 0.000 2.141 684 L HA -0.147 4.197 4.340 0.006 0.000 0.209 684 L C 2.223 179.279 176.870 0.310 0.000 1.094 684 L CA 0.746 55.765 54.840 0.298 0.000 0.763 684 L CB -0.375 41.766 42.059 0.136 0.000 0.908 684 L HN 0.226 nan 8.230 nan 0.000 0.437 685 F N 0.778 120.815 119.950 0.145 0.000 2.069 685 F HA -0.285 4.245 4.527 0.006 0.000 0.298 685 F C 2.102 177.944 175.800 0.069 0.000 1.113 685 F CA 1.759 59.738 58.000 -0.034 0.000 1.214 685 F CB -0.381 38.489 39.000 -0.216 0.000 0.978 685 F HN -0.118 nan 8.300 nan 0.000 0.474 686 F N -0.209 120.123 119.950 0.636 0.000 2.259 686 F HA -0.125 4.406 4.527 0.005 0.000 0.298 686 F C 2.410 178.626 175.800 0.694 0.000 1.088 686 F CA 0.747 59.112 58.000 0.608 0.000 1.358 686 F CB -0.577 38.832 39.000 0.681 0.000 1.040 686 F HN 0.032 nan 8.300 nan 0.000 0.505 687 L N 0.220 121.957 121.223 0.857 0.000 2.027 687 L HA -0.256 4.088 4.340 0.006 0.000 0.206 687 L C 2.403 179.464 176.870 0.317 0.000 1.074 687 L CA 1.584 56.826 54.840 0.670 0.000 0.745 687 L CB -0.530 41.834 42.059 0.507 0.000 0.898 687 L HN 0.276 nan 8.230 nan 0.000 0.433 688 N N -0.318 118.487 118.700 0.174 0.000 2.084 688 N HA -0.272 4.472 4.740 0.006 0.000 0.190 688 N C 2.073 177.536 175.510 -0.078 0.000 1.030 688 N CA 1.545 54.580 53.050 -0.025 0.000 0.849 688 N CB -0.170 38.261 38.487 -0.093 0.000 1.012 688 N HN 0.315 nan 8.380 nan 0.000 0.423 689 F N 1.834 121.703 119.950 -0.135 0.000 2.063 689 F HA -0.268 4.263 4.527 0.005 0.000 0.298 689 F C 2.317 178.175 175.800 0.097 0.000 1.109 689 F CA 2.031 59.988 58.000 -0.071 0.000 1.212 689 F CB -0.494 38.506 39.000 0.001 0.000 0.973 689 F HN 0.060 nan 8.300 nan 0.000 0.480 690 A N -0.014 122.825 122.820 0.032 0.000 1.933 690 A HA -0.223 4.101 4.320 0.006 0.000 0.218 690 A C 2.132 179.655 177.584 -0.102 0.000 1.175 690 A CA 1.723 53.773 52.037 0.022 0.000 0.628 690 A CB -0.910 18.372 19.000 0.471 0.000 0.814 690 A HN 0.667 nan 8.150 nan 0.000 0.444 691 Q N -0.564 119.137 119.800 -0.165 0.000 2.291 691 Q HA -0.071 4.273 4.340 0.006 0.000 0.205 691 Q C 1.944 177.655 176.000 -0.483 0.000 0.970 691 Q CA 1.091 56.727 55.803 -0.278 0.000 0.876 691 Q CB -0.262 28.330 28.738 -0.245 0.000 0.935 691 Q HN 0.493 nan 8.270 nan 0.000 0.455 692 V N -0.580 118.917 119.914 -0.695 0.000 2.490 692 V HA -0.227 3.896 4.120 0.006 0.000 0.250 692 V C 1.016 176.546 176.094 -0.940 0.000 1.061 692 V CA 1.643 63.283 62.300 -1.101 0.000 1.064 692 V CB -0.322 30.658 31.823 -1.405 0.000 0.670 692 V HN 0.516 nan 8.190 nan 0.000 0.461 693 W N -2.317 118.829 121.300 -0.256 0.000 3.278 693 W HA 0.261 4.924 4.660 0.005 0.000 0.308 693 W C 1.093 177.562 176.519 -0.084 0.000 1.253 693 W CA -0.905 56.381 57.345 -0.099 0.000 1.759 693 W CB -0.533 28.848 29.460 -0.132 0.000 1.093 693 W HN 0.061 nan 8.180 nan 0.000 0.648 694 c N 2.251 120.805 118.600 -0.077 0.000 2.563 694 c HA 0.485 5.059 4.570 0.006 0.000 0.411 694 c C 1.187 175.067 174.090 -0.349 0.000 1.386 694 c CA 0.713 56.941 56.329 -0.167 0.000 1.703 694 c CB -1.006 41.207 42.510 -0.495 0.000 2.596 694 c HN 0.555 nan 8.230 nan 0.000 0.605 695 G N 2.008 110.735 108.800 -0.123 0.000 2.313 695 G HA2 0.539 4.502 3.960 0.006 0.000 0.296 695 G HA3 0.539 4.502 3.960 0.006 0.000 0.296 695 G C -1.194 173.911 174.900 0.341 0.000 1.356 695 G CA 0.251 45.276 45.100 -0.125 0.000 0.833 695 G HN 0.841 nan 8.290 nan 0.000 0.552 696 T N -1.367 113.407 114.554 0.367 0.000 2.821 696 T HA 0.746 5.100 4.350 0.006 0.000 0.306 696 T C -1.895 173.041 174.700 0.393 0.000 1.313 696 T CA -0.534 61.875 62.100 0.514 0.000 1.012 696 T CB 1.405 70.585 68.868 0.519 0.000 1.298 696 T HN 0.609 nan 8.240 nan 0.000 0.502 697 Y N 0.566 121.071 120.300 0.341 0.000 2.536 697 Y HA 0.620 5.174 4.550 0.005 0.000 0.347 697 Y C 0.772 176.779 175.900 0.179 0.000 1.000 697 Y CA -1.411 56.875 58.100 0.311 0.000 1.051 697 Y CB 1.678 40.357 38.460 0.365 0.000 1.259 697 Y HN 0.383 nan 8.280 nan 0.000 0.468 698 R N 2.246 122.952 120.500 0.343 0.000 2.490 698 R HA 0.122 4.465 4.340 0.006 0.000 0.280 698 R C -1.912 174.459 176.300 0.119 0.000 1.077 698 R CA -1.430 54.786 56.100 0.194 0.000 1.065 698 R CB 0.497 30.905 30.300 0.180 0.000 1.003 698 R HN 0.400 nan 8.270 nan 0.000 0.470 699 P HA -0.201 nan 4.420 nan 0.000 0.216 699 P C 0.369 177.614 177.300 -0.092 0.000 1.153 699 P CA 1.408 64.446 63.100 -0.102 0.000 0.858 699 P CB 0.311 31.961 31.700 -0.083 0.000 0.789 700 E N -1.884 118.312 120.200 -0.006 0.000 2.077 700 E HA -0.204 4.149 4.350 0.006 0.000 0.193 700 E C 1.988 178.625 176.600 0.062 0.000 0.989 700 E CA 1.102 57.508 56.400 0.011 0.000 0.800 700 E CB -1.057 28.664 29.700 0.034 0.000 0.746 700 E HN 0.389 nan 8.360 nan 0.000 0.452 701 Y N 0.318 120.640 120.300 0.037 0.000 2.373 701 Y HA -0.070 4.483 4.550 0.005 0.000 0.293 701 Y C 2.127 178.099 175.900 0.119 0.000 1.129 701 Y CA 0.823 58.996 58.100 0.121 0.000 1.226 701 Y CB 0.025 38.636 38.460 0.252 0.000 1.000 701 Y HN 0.063 nan 8.280 nan 0.000 0.549 702 A N -0.725 121.998 122.820 -0.161 0.000 1.930 702 A HA -0.141 4.183 4.320 0.006 0.000 0.217 702 A C 2.225 179.567 177.584 -0.403 0.000 1.175 702 A CA 1.736 53.423 52.037 -0.583 0.000 0.627 702 A CB -1.163 17.161 19.000 -1.128 0.000 0.815 702 A HN 0.312 nan 8.150 nan 0.000 0.443 703 V N 0.562 120.320 119.914 -0.261 0.000 2.407 703 V HA -0.276 3.848 4.120 0.006 0.000 0.248 703 V C 2.310 178.404 176.094 -0.000 0.000 1.055 703 V CA 2.263 64.474 62.300 -0.148 0.000 1.049 703 V CB -1.023 30.696 31.823 -0.173 0.000 0.662 703 V HN 0.807 nan 8.190 nan 0.000 0.455 704 N N 0.222 118.917 118.700 -0.008 0.000 2.092 704 N HA -0.176 4.567 4.740 0.006 0.000 0.189 704 N C 2.119 177.594 175.510 -0.058 0.000 1.040 704 N CA 1.487 54.565 53.050 0.046 0.000 0.845 704 N CB -0.097 38.344 38.487 -0.076 0.000 1.017 704 N HN 0.503 nan 8.380 nan 0.000 0.426 705 S N 0.589 116.114 115.700 -0.291 0.000 2.399 705 S HA -0.136 4.338 4.470 0.006 0.000 0.231 705 S C 2.058 176.713 174.600 0.091 0.000 1.022 705 S CA 0.620 58.748 58.200 -0.119 0.000 0.983 705 S CB -0.616 62.496 63.200 -0.147 0.000 0.803 705 S HN 0.461 nan 8.310 nan 0.000 0.480 706 I N 0.199 120.874 120.570 0.176 0.000 2.567 706 I HA -0.121 4.053 4.170 0.006 0.000 0.257 706 I C 2.041 178.235 176.117 0.128 0.000 1.184 706 I CA 1.244 62.670 61.300 0.210 0.000 1.451 706 I CB 0.029 38.201 38.000 0.287 0.000 1.089 706 I HN 0.179 nan 8.210 nan 0.000 0.441 707 K N -0.168 120.304 120.400 0.121 0.000 2.244 707 K HA 0.049 4.372 4.320 0.006 0.000 0.200 707 K C 1.852 178.511 176.600 0.097 0.000 1.052 707 K CA 1.570 57.927 56.287 0.118 0.000 0.980 707 K CB -0.224 32.377 32.500 0.169 0.000 0.838 707 K HN 0.400 nan 8.250 nan 0.000 0.481 708 T N -2.165 112.447 114.554 0.097 0.000 3.015 708 T HA 0.109 4.462 4.350 0.006 0.000 0.250 708 T C 0.392 175.152 174.700 0.100 0.000 1.057 708 T CA -0.225 61.929 62.100 0.091 0.000 1.066 708 T CB 0.079 69.007 68.868 0.099 0.000 0.959 708 T HN -0.169 nan 8.240 nan 0.000 0.488 709 D N 2.344 122.811 120.400 0.113 0.000 2.280 709 D HA 0.242 4.885 4.640 0.006 0.000 0.243 709 D C 1.461 177.806 176.300 0.075 0.000 1.129 709 D CA -0.475 53.615 54.000 0.151 0.000 0.848 709 D CB 1.969 42.898 40.800 0.214 0.000 1.107 709 D HN 0.125 nan 8.370 nan 0.000 0.471 710 V N 1.681 121.592 119.914 -0.006 0.000 3.380 710 V HA 0.091 4.214 4.120 0.006 0.000 0.268 710 V C 0.383 176.356 176.094 -0.203 0.000 1.168 710 V CA 0.609 62.834 62.300 -0.124 0.000 1.156 710 V CB -1.258 30.460 31.823 -0.174 0.000 0.785 710 V HN 0.393 nan 8.190 nan 0.000 0.487 711 H N 0.121 119.209 119.070 0.029 0.000 2.483 711 H HA 0.661 5.221 4.556 0.006 0.000 0.338 711 H C 0.497 175.794 175.328 -0.052 0.000 1.152 711 H CA -0.036 56.009 56.048 -0.004 0.000 1.264 711 H CB 1.174 30.937 29.762 0.002 0.000 1.510 711 H HN 0.213 nan 8.280 nan 0.000 0.530 712 S N 2.323 118.036 115.700 0.023 0.000 2.603 712 S HA 0.190 4.663 4.470 0.006 0.000 0.268 712 S C -2.178 172.348 174.600 -0.123 0.000 1.317 712 S CA -1.122 57.054 58.200 -0.039 0.000 1.012 712 S CB 0.542 63.789 63.200 0.077 0.000 0.926 712 S HN 0.491 nan 8.310 nan 0.000 0.539 713 P HA 0.124 nan 4.420 nan 0.000 0.269 713 P C 1.068 178.208 177.300 -0.267 0.000 1.215 713 P CA -0.046 62.804 63.100 -0.418 0.000 0.780 713 P CB 0.207 31.178 31.700 -1.215 0.000 0.898 714 G N 2.947 111.714 108.800 -0.055 0.000 2.513 714 G HA2 -0.329 3.634 3.960 0.006 0.000 0.219 714 G HA3 -0.329 3.634 3.960 0.006 0.000 0.219 714 G C 1.273 175.972 174.900 -0.334 0.000 1.160 714 G CA 1.002 46.054 45.100 -0.081 0.000 0.767 714 G HN 0.665 nan 8.290 nan 0.000 0.571 715 N N 0.832 119.107 118.700 -0.709 0.000 2.149 715 N HA -0.121 4.622 4.740 0.006 0.000 0.188 715 N C 1.910 176.885 175.510 -0.893 0.000 1.019 715 N CA 1.453 53.759 53.050 -1.240 0.000 0.857 715 N CB -0.925 36.262 38.487 -2.168 0.000 0.997 715 N HN 0.445 nan 8.380 nan 0.000 0.426 716 F N 0.777 120.374 119.950 -0.588 0.000 2.456 716 F HA 0.233 4.764 4.527 0.006 0.000 0.298 716 F C 2.583 178.225 175.800 -0.264 0.000 1.104 716 F CA -0.002 57.644 58.000 -0.590 0.000 1.435 716 F CB 0.086 38.704 39.000 -0.638 0.000 1.078 716 F HN -0.086 nan 8.300 nan 0.000 0.546 717 R N 0.337 120.752 120.500 -0.143 0.000 2.092 717 R HA -0.087 4.256 4.340 0.006 0.000 0.231 717 R C 2.066 178.333 176.300 -0.055 0.000 1.119 717 R CA 1.293 57.297 56.100 -0.160 0.000 0.970 717 R CB -0.393 29.473 30.300 -0.725 0.000 0.864 717 R HN 0.337 nan 8.270 nan 0.000 0.440 718 I N 0.500 121.002 120.570 -0.114 0.000 2.162 718 I HA -0.253 3.920 4.170 0.006 0.000 0.238 718 I C 2.269 178.435 176.117 0.082 0.000 1.076 718 I CA 1.338 62.700 61.300 0.103 0.000 1.353 718 I CB -0.205 37.884 38.000 0.148 0.000 1.063 718 I HN 0.070 nan 8.210 nan 0.000 0.408 719 I N 0.719 121.258 120.570 -0.052 0.000 2.179 719 I HA -0.210 3.964 4.170 0.006 0.000 0.242 719 I C 2.677 178.759 176.117 -0.058 0.000 1.088 719 I CA 1.676 62.928 61.300 -0.080 0.000 1.357 719 I CB -0.942 36.981 38.000 -0.128 0.000 1.051 719 I HN 0.279 nan 8.210 nan 0.000 0.409 720 G N 0.192 108.979 108.800 -0.023 0.000 2.421 720 G HA2 -0.230 3.733 3.960 0.006 0.000 0.216 720 G HA3 -0.230 3.733 3.960 0.006 0.000 0.216 720 G C 1.665 176.613 174.900 0.080 0.000 1.171 720 G CA 1.463 46.556 45.100 -0.012 0.000 0.775 720 G HN 0.281 nan 8.290 nan 0.000 0.543 721 T N 1.409 116.070 114.554 0.178 0.000 2.708 721 T HA -0.024 4.329 4.350 0.006 0.000 0.266 721 T C 2.428 177.122 174.700 -0.011 0.000 1.037 721 T CA 0.992 63.185 62.100 0.155 0.000 1.146 721 T CB -0.223 68.799 68.868 0.257 0.000 0.865 721 T HN 0.146 nan 8.240 nan 0.000 0.435 722 L N 0.680 121.825 121.223 -0.131 0.000 2.141 722 L HA -0.063 4.281 4.340 0.006 0.000 0.209 722 L C 2.826 179.490 176.870 -0.342 0.000 1.094 722 L CA 1.102 55.664 54.840 -0.464 0.000 0.763 722 L CB -0.623 40.780 42.059 -1.094 0.000 0.908 722 L HN 0.304 nan 8.230 nan 0.000 0.437 723 Q N 0.086 119.757 119.800 -0.216 0.000 2.170 723 Q HA -0.158 4.185 4.340 0.006 0.000 0.203 723 Q C 1.440 177.386 176.000 -0.089 0.000 0.976 723 Q CA 1.172 56.884 55.803 -0.152 0.000 0.858 723 Q CB -0.011 28.637 28.738 -0.150 0.000 0.907 723 Q HN 0.499 nan 8.270 nan 0.000 0.433 724 N N -0.176 118.488 118.700 -0.059 0.000 2.398 724 N HA -0.012 4.732 4.740 0.006 0.000 0.188 724 N C -0.262 175.240 175.510 -0.013 0.000 1.122 724 N CA 0.206 53.242 53.050 -0.023 0.000 0.866 724 N CB 0.691 39.187 38.487 0.016 0.000 0.970 724 N HN -0.072 nan 8.380 nan 0.000 0.462 725 S N 0.074 115.754 115.700 -0.034 0.000 2.420 725 S HA 0.543 5.016 4.470 0.006 0.000 0.313 725 S C 1.056 175.638 174.600 -0.030 0.000 1.079 725 S CA -0.656 57.528 58.200 -0.026 0.000 1.104 725 S CB 1.032 64.203 63.200 -0.050 0.000 0.969 725 S HN 0.257 nan 8.310 nan 0.000 0.471 726 A N 4.736 127.542 122.820 -0.024 0.000 1.930 726 A HA 0.019 4.343 4.320 0.006 0.000 0.217 726 A C 1.813 179.350 177.584 -0.078 0.000 1.175 726 A CA 1.375 53.393 52.037 -0.032 0.000 0.627 726 A CB -0.637 18.358 19.000 -0.008 0.000 0.815 726 A HN 0.773 nan 8.150 nan 0.000 0.443 727 E N -0.645 119.492 120.200 -0.104 0.000 2.118 727 E HA -0.171 4.182 4.350 0.006 0.000 0.195 727 E C 1.553 177.959 176.600 -0.324 0.000 0.992 727 E CA 1.332 57.620 56.400 -0.188 0.000 0.804 727 E CB -0.550 28.893 29.700 -0.427 0.000 0.741 727 E HN 0.746 nan 8.360 nan 0.000 0.458 728 F N 0.900 120.432 119.950 -0.696 0.000 2.084 728 F HA -0.181 4.349 4.527 0.006 0.000 0.296 728 F C 2.236 177.751 175.800 -0.475 0.000 1.111 728 F CA 1.502 58.839 58.000 -1.105 0.000 1.224 728 F CB -0.305 38.045 39.000 -1.083 0.000 0.991 728 F HN -0.121 nan 8.300 nan 0.000 0.471 729 S N -0.069 115.400 115.700 -0.386 0.000 2.400 729 S HA -0.255 4.219 4.470 0.006 0.000 0.232 729 S C 1.932 176.344 174.600 -0.313 0.000 1.025 729 S CA 1.446 59.440 58.200 -0.342 0.000 0.993 729 S CB -0.523 62.626 63.200 -0.084 0.000 0.808 729 S HN 0.632 nan 8.310 nan 0.000 0.478 730 E N 1.119 121.169 120.200 -0.251 0.000 2.072 730 E HA -0.076 4.278 4.350 0.006 0.000 0.190 730 E C 2.107 178.513 176.600 -0.323 0.000 0.982 730 E CA 0.888 57.180 56.400 -0.179 0.000 0.803 730 E CB -0.242 29.408 29.700 -0.083 0.000 0.755 730 E HN 0.469 nan 8.360 nan 0.000 0.453 731 A N 0.124 122.721 122.820 -0.372 0.000 1.930 731 A HA -0.092 4.232 4.320 0.006 0.000 0.217 731 A C 1.471 178.530 177.584 -0.876 0.000 1.175 731 A CA 0.981 52.749 52.037 -0.447 0.000 0.627 731 A CB -0.446 18.454 19.000 -0.167 0.000 0.815 731 A HN 0.366 nan 8.150 nan 0.000 0.443 732 F N -1.164 118.305 119.950 -0.801 0.000 2.639 732 F HA 0.243 4.773 4.527 0.006 0.000 0.302 732 F C 0.238 175.730 175.800 -0.513 0.000 1.097 732 F CA -0.015 57.570 58.000 -0.692 0.000 1.294 732 F CB -0.350 38.215 39.000 -0.724 0.000 1.027 732 F HN 0.430 nan 8.300 nan 0.000 0.550 733 H N -2.141 116.863 119.070 -0.110 0.000 2.677 733 H HA -0.203 4.356 4.556 0.006 0.000 0.321 733 H C -0.147 175.154 175.328 -0.044 0.000 1.171 733 H CA -0.194 55.814 56.048 -0.066 0.000 1.139 733 H CB -2.322 27.415 29.762 -0.041 0.000 1.515 733 H HN 0.191 nan 8.280 nan 0.000 0.423 734 c N 1.458 120.042 118.600 -0.028 0.000 2.514 734 c HA 0.272 4.845 4.570 0.006 0.000 0.392 734 c C 1.398 175.503 174.090 0.025 0.000 1.294 734 c CA -0.657 55.673 56.329 0.001 0.000 1.957 734 c CB -0.040 42.455 42.510 -0.025 0.000 2.541 734 c HN 0.524 nan 8.230 nan 0.000 0.569 735 R N 1.723 122.248 120.500 0.042 0.000 2.694 735 R HA 0.214 4.557 4.340 0.006 0.000 0.268 735 R C 0.040 176.358 176.300 0.031 0.000 1.061 735 R CA -0.200 55.922 56.100 0.037 0.000 1.133 735 R CB 0.352 30.677 30.300 0.042 0.000 1.020 735 R HN 0.545 nan 8.270 nan 0.000 0.475 736 K N 2.454 122.868 120.400 0.024 0.000 2.436 736 K HA -0.024 4.299 4.320 0.006 0.000 0.275 736 K C 0.249 176.863 176.600 0.024 0.000 0.999 736 K CA 0.220 56.518 56.287 0.018 0.000 0.980 736 K CB 0.171 32.678 32.500 0.012 0.000 0.919 736 K HN 0.572 nan 8.250 nan 0.000 0.484 737 N N -0.733 117.979 118.700 0.020 0.000 2.828 737 N HA -0.191 4.552 4.740 0.006 0.000 0.248 737 N C -0.823 174.719 175.510 0.054 0.000 1.044 737 N CA 1.317 54.383 53.050 0.028 0.000 0.851 737 N CB -1.859 36.644 38.487 0.027 0.000 1.136 737 N HN 0.729 nan 8.380 nan 0.000 0.572 738 S N -1.016 114.721 115.700 0.062 0.000 2.593 738 S HA 0.243 4.716 4.470 0.006 0.000 0.269 738 S C 1.240 175.914 174.600 0.123 0.000 1.334 738 S CA -0.375 57.886 58.200 0.102 0.000 1.015 738 S CB 1.095 64.354 63.200 0.098 0.000 0.912 738 S HN 0.264 nan 8.310 nan 0.000 0.541 739 Y N 1.581 121.921 120.300 0.067 0.000 2.102 739 Y HA -0.217 4.336 4.550 0.005 0.000 0.280 739 Y C 2.104 178.052 175.900 0.081 0.000 1.178 739 Y CA 2.035 60.180 58.100 0.076 0.000 1.146 739 Y CB -0.146 38.365 38.460 0.084 0.000 0.968 739 Y HN 0.528 nan 8.280 nan 0.000 0.504 740 M N -0.128 119.484 119.600 0.020 0.000 2.659 740 M HA -0.022 4.461 4.480 0.006 0.000 0.243 740 M C 0.194 176.491 176.300 -0.005 0.000 1.111 740 M CA 0.818 56.099 55.300 -0.032 0.000 1.070 740 M CB -1.017 31.695 32.600 0.186 0.000 1.525 740 M HN 0.280 nan 8.290 nan 0.000 0.517 741 N N 1.320 120.016 118.700 -0.007 0.000 2.723 741 N HA 0.223 4.966 4.740 0.006 0.000 0.290 741 N C -2.794 172.701 175.510 -0.025 0.000 1.882 741 N CA -1.694 51.356 53.050 0.001 0.000 0.851 741 N CB 1.175 39.681 38.487 0.031 0.000 1.234 741 N HN -0.006 nan 8.380 nan 0.000 0.491 742 P HA 0.063 nan 4.420 nan 0.000 0.271 742 P C 0.722 178.000 177.300 -0.038 0.000 1.216 742 P CA -0.049 63.018 63.100 -0.055 0.000 0.776 742 P CB 1.495 33.140 31.700 -0.092 0.000 0.881 743 E N 2.714 122.898 120.200 -0.026 0.000 2.085 743 E HA -0.162 4.191 4.350 0.006 0.000 0.194 743 E C -0.001 176.582 176.600 -0.028 0.000 0.994 743 E CA 1.309 57.696 56.400 -0.021 0.000 0.801 743 E CB 0.059 29.750 29.700 -0.016 0.000 0.743 743 E HN 0.487 nan 8.360 nan 0.000 0.453 744 K N 1.518 121.896 120.400 -0.038 0.000 2.316 744 K HA 0.196 4.520 4.320 0.006 0.000 0.289 744 K C -0.307 176.262 176.600 -0.051 0.000 1.070 744 K CA 0.159 56.420 56.287 -0.044 0.000 0.928 744 K CB 1.059 33.530 32.500 -0.049 0.000 1.039 744 K HN -0.124 nan 8.250 nan 0.000 0.480 745 K N 2.543 122.917 120.400 -0.044 0.000 2.345 745 K HA 0.332 4.655 4.320 0.006 0.000 0.255 745 K C -0.773 175.800 176.600 -0.046 0.000 0.934 745 K CA -0.821 55.441 56.287 -0.043 0.000 0.801 745 K CB 1.710 34.193 32.500 -0.029 0.000 1.137 745 K HN 0.553 nan 8.250 nan 0.000 0.424 746 c N 1.847 120.419 118.600 -0.048 0.000 2.539 746 c HA 0.536 5.109 4.570 0.006 0.000 0.392 746 c C 0.373 174.429 174.090 -0.056 0.000 1.269 746 c CA -0.538 55.751 56.329 -0.067 0.000 2.250 746 c CB -0.196 42.281 42.510 -0.055 0.000 2.584 746 c HN 0.906 nan 8.230 nan 0.000 0.589 747 R N 1.076 121.512 120.500 -0.108 0.000 2.579 747 R HA 0.512 4.856 4.340 0.006 0.000 0.260 747 R C -0.463 175.711 176.300 -0.210 0.000 1.103 747 R CA -0.274 55.777 56.100 -0.082 0.000 0.942 747 R CB 1.204 31.502 30.300 -0.005 0.000 1.251 747 R HN 0.620 nan 8.270 nan 0.000 0.450 748 V N 3.213 123.008 119.914 -0.198 0.000 3.449 748 V HA 0.603 4.726 4.120 0.006 0.000 0.208 748 V C -0.429 175.615 176.094 -0.084 0.000 1.269 748 V CA -0.029 62.006 62.300 -0.442 0.000 1.301 748 V CB -0.146 31.185 31.823 -0.820 0.000 1.306 748 V HN 0.617 nan 8.190 nan 0.000 0.531 749 W N 0.000 121.469 121.300 0.281 0.000 2.388 749 W HA 0.000 4.663 4.660 0.005 0.000 0.303 749 W CA 0.000 57.502 57.345 0.262 0.000 1.226 749 W CB 0.000 29.635 29.460 0.291 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535