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 1r1i_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 3.959 3.960 -0.002 0.000 0.244 54 G C 0.000 174.914 174.900 0.023 0.000 0.946 54 G CA 0.000 45.111 45.100 0.019 0.000 0.502 55 I N 1.764 122.344 120.570 0.017 0.000 3.310 55 I HA -0.062 4.107 4.170 -0.002 0.000 0.345 55 I C 1.240 177.379 176.117 0.036 0.000 1.215 55 I CA -0.524 60.791 61.300 0.024 0.000 1.472 55 I CB -1.364 36.647 38.000 0.019 0.000 1.305 55 I HN 0.200 nan 8.210 nan 0.000 0.500 56 c N 7.591 126.222 118.600 0.052 0.000 2.644 56 c HA 0.218 4.787 4.570 -0.002 0.000 0.417 56 c C 1.310 175.426 174.090 0.043 0.000 1.304 56 c CA -0.377 55.985 56.329 0.054 0.000 2.035 56 c CB -0.181 42.374 42.510 0.075 0.000 2.673 56 c HN 0.901 nan 8.230 nan 0.000 0.602 57 K N 3.504 123.925 120.400 0.035 0.000 2.726 57 K HA 0.171 4.490 4.320 -0.002 0.000 0.209 57 K C 0.375 176.990 176.600 0.024 0.000 1.082 57 K CA 0.070 56.373 56.287 0.027 0.000 1.081 57 K CB 0.556 33.069 32.500 0.021 0.000 0.830 57 K HN 0.690 nan 8.250 nan 0.000 0.470 58 S N -0.070 115.648 115.700 0.029 0.000 2.548 58 S HA 0.029 4.498 4.470 -0.002 0.000 0.277 58 S C 1.547 176.156 174.600 0.016 0.000 1.315 58 S CA -0.215 57.999 58.200 0.023 0.000 1.050 58 S CB 1.526 64.743 63.200 0.028 0.000 0.918 58 S HN 0.290 nan 8.310 nan 0.000 0.497 59 S N 2.675 118.380 115.700 0.009 0.000 2.365 59 S HA -0.182 4.287 4.470 -0.002 0.000 0.225 59 S C 1.258 175.859 174.600 0.001 0.000 1.039 59 S CA 1.919 60.121 58.200 0.003 0.000 1.033 59 S CB -0.779 62.420 63.200 -0.001 0.000 0.887 59 S HN 0.867 nan 8.310 nan 0.000 0.447 60 D N -0.186 120.213 120.400 -0.001 0.000 2.347 60 D HA 0.033 4.672 4.640 -0.002 0.000 0.215 60 D C 1.802 178.103 176.300 0.003 0.000 0.976 60 D CA 0.542 54.537 54.000 -0.009 0.000 0.884 60 D CB -0.109 40.682 40.800 -0.016 0.000 0.915 60 D HN 0.449 nan 8.370 nan 0.000 0.526 61 c N 0.805 119.415 118.600 0.017 0.000 2.544 61 c HA -0.081 4.488 4.570 -0.002 0.000 0.280 61 c C 2.593 176.699 174.090 0.026 0.000 1.295 61 c CA -0.054 56.295 56.329 0.033 0.000 1.702 61 c CB -0.640 41.898 42.510 0.045 0.000 2.090 61 c HN 0.397 nan 8.230 nan 0.000 0.493 62 I N 1.755 122.337 120.570 0.019 0.000 2.454 62 I HA -0.111 4.058 4.170 -0.002 0.000 0.254 62 I C 2.009 178.131 176.117 0.009 0.000 1.156 62 I CA 1.725 63.035 61.300 0.016 0.000 1.433 62 I CB -1.346 36.661 38.000 0.011 0.000 1.082 62 I HN 0.190 nan 8.210 nan 0.000 0.432 63 K N 1.235 121.637 120.400 0.003 0.000 2.057 63 K HA -0.059 4.260 4.320 -0.002 0.000 0.206 63 K C 2.062 178.658 176.600 -0.006 0.000 1.050 63 K CA 1.675 57.959 56.287 -0.006 0.000 0.935 63 K CB -0.109 32.382 32.500 -0.015 0.000 0.715 63 K HN 0.562 nan 8.250 nan 0.000 0.439 64 S N 0.686 116.385 115.700 -0.002 0.000 2.345 64 S HA -0.052 4.417 4.470 -0.002 0.000 0.219 64 S C 2.165 176.770 174.600 0.008 0.000 1.031 64 S CA 0.740 58.938 58.200 -0.003 0.000 0.984 64 S CB -0.684 62.519 63.200 0.006 0.000 0.874 64 S HN 0.419 nan 8.310 nan 0.000 0.451 65 A N 2.535 125.369 122.820 0.024 0.000 1.906 65 A HA -0.218 4.101 4.320 -0.002 0.000 0.222 65 A C 2.441 180.033 177.584 0.013 0.000 1.282 65 A CA 2.597 54.651 52.037 0.027 0.000 0.675 65 A CB -1.557 17.460 19.000 0.029 0.000 0.838 65 A HN 0.739 nan 8.150 nan 0.000 0.469 66 A N -1.882 120.942 122.820 0.006 0.000 2.066 66 A HA -0.065 4.254 4.320 -0.002 0.000 0.218 66 A C 2.229 179.810 177.584 -0.004 0.000 1.157 66 A CA 1.409 53.446 52.037 0.001 0.000 0.670 66 A CB -0.431 18.569 19.000 -0.000 0.000 0.804 66 A HN 0.504 nan 8.150 nan 0.000 0.453 67 R N -0.522 119.973 120.500 -0.008 0.000 2.073 67 R HA 0.036 4.375 4.340 -0.002 0.000 0.229 67 R C 1.929 178.218 176.300 -0.019 0.000 1.120 67 R CA 1.099 57.190 56.100 -0.015 0.000 0.967 67 R CB -0.385 29.897 30.300 -0.030 0.000 0.862 67 R HN 0.544 nan 8.270 nan 0.000 0.436 68 L N 0.394 121.608 121.223 -0.015 0.000 2.005 68 L HA -0.184 4.155 4.340 -0.002 0.000 0.207 68 L C 2.280 179.129 176.870 -0.036 0.000 1.072 68 L CA 1.187 56.016 54.840 -0.018 0.000 0.744 68 L CB -0.279 41.789 42.059 0.016 0.000 0.895 68 L HN 0.107 nan 8.230 nan 0.000 0.433 69 I N -0.757 119.799 120.570 -0.023 0.000 2.361 69 I HA -0.291 3.878 4.170 -0.002 0.000 0.251 69 I C 2.553 178.639 176.117 -0.051 0.000 1.133 69 I CA 1.263 62.540 61.300 -0.039 0.000 1.413 69 I CB -0.455 37.535 38.000 -0.016 0.000 1.073 69 I HN 0.352 nan 8.210 nan 0.000 0.424 70 Q N 0.399 120.180 119.800 -0.031 0.000 2.245 70 Q HA -0.137 4.202 4.340 -0.002 0.000 0.201 70 Q C 1.638 177.629 176.000 -0.016 0.000 0.955 70 Q CA 1.017 56.807 55.803 -0.022 0.000 0.870 70 Q CB 0.075 28.809 28.738 -0.007 0.000 0.945 70 Q HN 0.520 nan 8.270 nan 0.000 0.461 71 N N 0.686 119.378 118.700 -0.014 0.000 2.333 71 N HA -0.008 4.731 4.740 -0.002 0.000 0.178 71 N C 1.039 176.495 175.510 -0.090 0.000 1.018 71 N CA 0.636 53.688 53.050 0.003 0.000 0.882 71 N CB -0.123 38.356 38.487 -0.012 0.000 0.984 71 N HN 0.421 nan 8.380 nan 0.000 0.434 72 M N 0.347 119.852 119.600 -0.159 0.000 2.250 72 M HA 0.287 4.766 4.480 -0.002 0.000 0.344 72 M C -0.603 175.559 176.300 -0.231 0.000 1.150 72 M CA -0.314 54.808 55.300 -0.297 0.000 1.147 72 M CB 0.989 33.333 32.600 -0.427 0.000 1.498 72 M HN -0.254 nan 8.290 nan 0.000 0.461 73 D N 2.066 122.309 120.400 -0.261 0.000 2.233 73 D HA 0.499 5.138 4.640 -0.002 0.000 0.240 73 D C 0.782 176.991 176.300 -0.151 0.000 1.074 73 D CA -0.122 53.783 54.000 -0.159 0.000 0.838 73 D CB 1.868 42.603 40.800 -0.107 0.000 1.124 73 D HN 0.743 nan 8.370 nan 0.000 0.475 74 A N 2.853 125.628 122.820 -0.075 0.000 1.978 74 A HA -0.128 4.191 4.320 -0.002 0.000 0.220 74 A C 1.728 179.353 177.584 0.069 0.000 1.170 74 A CA 2.035 54.069 52.037 -0.004 0.000 0.636 74 A CB -0.616 18.393 19.000 0.015 0.000 0.810 74 A HN 0.646 nan 8.150 nan 0.000 0.448 75 T N -3.487 111.094 114.554 0.045 0.000 3.214 75 T HA 0.342 4.691 4.350 -0.002 0.000 0.264 75 T C 0.236 174.982 174.700 0.078 0.000 1.012 75 T CA 0.313 62.450 62.100 0.062 0.000 0.901 75 T CB -0.255 68.633 68.868 0.033 0.000 1.070 75 T HN 0.116 nan 8.240 nan 0.000 0.561 76 T N 2.062 116.687 114.554 0.120 0.000 2.940 76 T HA 0.498 4.846 4.350 -0.002 0.000 0.288 76 T C -0.795 174.016 174.700 0.184 0.000 1.033 76 T CA -0.555 61.625 62.100 0.133 0.000 1.033 76 T CB 1.844 70.775 68.868 0.106 0.000 1.079 76 T HN 0.246 nan 8.240 nan 0.000 0.496 77 E N 3.028 123.299 120.200 0.119 0.000 2.129 77 E HA 0.252 4.601 4.350 -0.002 0.000 0.283 77 E C -1.853 174.774 176.600 0.044 0.000 1.080 77 E CA -2.323 54.128 56.400 0.084 0.000 0.867 77 E CB 0.923 30.673 29.700 0.083 0.000 1.056 77 E HN 0.115 nan 8.360 nan 0.000 0.404 78 P HA -0.244 nan 4.420 nan 0.000 0.219 78 P C 0.435 177.807 177.300 0.120 0.000 1.153 78 P CA 1.404 64.335 63.100 -0.281 0.000 0.865 78 P CB 0.175 31.454 31.700 -0.702 0.000 0.788 79 c N -3.007 115.650 118.600 0.094 0.000 2.626 79 c HA 0.154 4.723 4.570 -0.002 0.000 0.266 79 c C 2.442 176.654 174.090 0.202 0.000 1.317 79 c CA 0.725 57.151 56.329 0.162 0.000 1.716 79 c CB -1.690 40.888 42.510 0.113 0.000 1.819 79 c HN 0.303 nan 8.230 nan 0.000 0.578 80 T N -0.746 113.921 114.554 0.190 0.000 3.046 80 T HA 0.034 4.383 4.350 -0.002 0.000 0.242 80 T C 0.019 174.853 174.700 0.224 0.000 1.018 80 T CA 1.091 63.307 62.100 0.194 0.000 1.131 80 T CB 0.077 69.010 68.868 0.108 0.000 0.904 80 T HN 0.441 nan 8.240 nan 0.000 0.459 81 D N -0.046 120.479 120.400 0.209 0.000 2.351 81 D HA 0.137 4.776 4.640 -0.002 0.000 0.235 81 D C -0.218 176.235 176.300 0.254 0.000 1.331 81 D CA -0.504 53.630 54.000 0.224 0.000 0.959 81 D CB -0.051 40.812 40.800 0.105 0.000 1.432 81 D HN 0.012 nan 8.370 nan 0.000 0.544 82 F N 2.702 122.732 119.950 0.134 0.000 2.325 82 F HA 0.079 4.605 4.527 -0.002 0.000 0.299 82 F C 1.603 177.526 175.800 0.205 0.000 1.090 82 F CA 0.693 58.774 58.000 0.135 0.000 1.392 82 F CB -0.102 38.919 39.000 0.035 0.000 1.053 82 F HN 0.432 nan 8.300 nan 0.000 0.521 83 F N 0.994 121.007 119.950 0.105 0.000 2.043 83 F HA -0.324 4.202 4.527 -0.002 0.000 0.297 83 F C 2.644 178.421 175.800 -0.037 0.000 1.121 83 F CA 2.199 60.196 58.000 -0.005 0.000 1.199 83 F CB -0.366 38.589 39.000 -0.074 0.000 0.968 83 F HN -0.178 nan 8.300 nan 0.000 0.478 84 K N -0.757 119.595 120.400 -0.081 0.000 2.057 84 K HA -0.276 4.043 4.320 -0.002 0.000 0.207 84 K C 2.104 178.609 176.600 -0.160 0.000 1.049 84 K CA 1.672 57.863 56.287 -0.161 0.000 0.931 84 K CB -0.667 31.819 32.500 -0.024 0.000 0.714 84 K HN 0.422 nan 8.250 nan 0.000 0.440 85 Y N 0.925 121.084 120.300 -0.235 0.000 2.014 85 Y HA -0.324 4.225 4.550 -0.002 0.000 0.272 85 Y C 1.957 177.645 175.900 -0.354 0.000 1.164 85 Y CA 2.286 60.199 58.100 -0.312 0.000 1.114 85 Y CB -0.689 37.459 38.460 -0.520 0.000 0.961 85 Y HN 0.119 nan 8.280 nan 0.000 0.489 86 A N -2.281 120.238 122.820 -0.502 0.000 2.123 86 A HA 0.013 4.332 4.320 -0.002 0.000 0.214 86 A C 1.825 179.186 177.584 -0.372 0.000 1.152 86 A CA 1.267 52.997 52.037 -0.511 0.000 0.728 86 A CB -0.832 17.966 19.000 -0.336 0.000 0.814 86 A HN 0.598 nan 8.150 nan 0.000 0.464 87 c N -2.492 115.863 118.600 -0.408 0.000 3.785 87 c HA 0.317 4.886 4.570 -0.002 0.000 0.312 87 c C 2.466 176.407 174.090 -0.248 0.000 1.566 87 c CA -0.429 55.672 56.329 -0.380 0.000 1.837 87 c CB -0.334 41.693 42.510 -0.805 0.000 2.826 87 c HN 0.629 nan 8.230 nan 0.000 0.667 88 G N 1.257 109.908 108.800 -0.249 0.000 2.442 88 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.219 88 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.219 88 G C 1.603 176.455 174.900 -0.080 0.000 1.141 88 G CA 1.447 46.454 45.100 -0.155 0.000 0.763 88 G HN 0.585 nan 8.290 nan 0.000 0.554 89 G N -1.160 107.597 108.800 -0.072 0.000 2.939 89 G HA2 0.060 4.019 3.960 -0.002 0.000 0.210 89 G HA3 0.060 4.019 3.960 -0.002 0.000 0.210 89 G C 1.283 176.169 174.900 -0.023 0.000 1.160 89 G CA 0.286 45.356 45.100 -0.051 0.000 0.770 89 G HN 0.433 nan 8.290 nan 0.000 0.543 90 W N 0.758 121.982 121.300 -0.128 0.000 2.407 90 W HA 0.033 4.692 4.660 -0.002 0.000 0.305 90 W C 1.954 178.438 176.519 -0.057 0.000 1.196 90 W CA 0.617 57.905 57.345 -0.094 0.000 1.311 90 W CB -0.047 29.341 29.460 -0.120 0.000 1.135 90 W HN 0.067 nan 8.180 nan 0.000 0.514 91 L N 1.498 122.823 121.223 0.169 0.000 1.989 91 L HA -0.245 4.094 4.340 -0.002 0.000 0.211 91 L C 2.553 179.354 176.870 -0.114 0.000 1.071 91 L CA 1.868 56.754 54.840 0.078 0.000 0.749 91 L CB -1.795 40.334 42.059 0.118 0.000 0.890 91 L HN -0.019 nan 8.230 nan 0.000 0.431 92 K N -0.071 120.274 120.400 -0.092 0.000 2.059 92 K HA -0.195 4.124 4.320 -0.002 0.000 0.212 92 K C 2.150 178.665 176.600 -0.142 0.000 1.050 92 K CA 1.702 57.934 56.287 -0.092 0.000 0.927 92 K CB -0.061 32.395 32.500 -0.073 0.000 0.714 92 K HN 0.313 nan 8.250 nan 0.000 0.447 93 R N -0.124 120.249 120.500 -0.212 0.000 2.246 93 R HA 0.083 4.421 4.340 -0.002 0.000 0.199 93 R C 0.568 176.716 176.300 -0.254 0.000 0.984 93 R CA 0.082 56.059 56.100 -0.205 0.000 1.015 93 R CB 0.165 30.345 30.300 -0.202 0.000 0.930 93 R HN 0.107 nan 8.270 nan 0.000 0.475 94 N N 0.133 118.603 118.700 -0.384 0.000 2.430 94 N HA 0.363 5.102 4.740 -0.002 0.000 0.298 94 N C -1.289 174.069 175.510 -0.254 0.000 1.130 94 N CA -0.301 52.487 53.050 -0.436 0.000 0.894 94 N CB 2.531 40.397 38.487 -1.035 0.000 1.209 94 N HN -0.246 nan 8.380 nan 0.000 0.503 95 V N 1.989 121.798 119.914 -0.174 0.000 2.808 95 V HA 0.395 4.514 4.120 -0.002 0.000 0.308 95 V C 0.125 176.136 176.094 -0.139 0.000 1.099 95 V CA -0.843 61.392 62.300 -0.109 0.000 0.920 95 V CB 2.183 33.949 31.823 -0.095 0.000 1.014 95 V HN 0.513 nan 8.190 nan 0.000 0.425 96 I N 5.561 126.105 120.570 -0.043 0.000 2.821 96 I HA 0.061 4.230 4.170 -0.002 0.000 0.294 96 I C -2.005 174.001 176.117 -0.186 0.000 1.210 96 I CA -0.786 60.458 61.300 -0.092 0.000 1.430 96 I CB 0.162 38.190 38.000 0.046 0.000 1.356 96 I HN 0.415 nan 8.210 nan 0.000 0.563 97 P HA 0.041 nan 4.420 nan 0.000 0.272 97 P C 0.322 177.538 177.300 -0.139 0.000 1.230 97 P CA -0.262 62.689 63.100 -0.247 0.000 0.788 97 P CB 0.565 32.066 31.700 -0.333 0.000 0.949 98 E N 0.079 120.214 120.200 -0.108 0.000 2.482 98 E HA -0.057 4.292 4.350 -0.002 0.000 0.196 98 E C 1.241 177.800 176.600 -0.069 0.000 1.047 98 E CA 1.111 57.468 56.400 -0.071 0.000 0.869 98 E CB -0.478 29.187 29.700 -0.059 0.000 0.836 98 E HN 0.583 nan 8.360 nan 0.000 0.520 99 T N -3.256 111.244 114.554 -0.091 0.000 3.023 99 T HA 0.195 4.544 4.350 -0.002 0.000 0.253 99 T C 0.994 175.632 174.700 -0.102 0.000 1.038 99 T CA -0.345 61.696 62.100 -0.097 0.000 0.962 99 T CB 0.361 69.161 68.868 -0.113 0.000 1.018 99 T HN -0.203 nan 8.240 nan 0.000 0.521 100 S N 1.974 117.622 115.700 -0.087 0.000 2.586 100 S HA 0.469 4.938 4.470 -0.002 0.000 0.274 100 S C 1.167 175.741 174.600 -0.042 0.000 1.281 100 S CA -0.353 57.811 58.200 -0.060 0.000 1.035 100 S CB 1.557 64.747 63.200 -0.017 0.000 0.962 100 S HN 0.587 nan 8.310 nan 0.000 0.512 101 S N 1.325 116.978 115.700 -0.078 0.000 2.539 101 S HA 0.255 4.724 4.470 -0.002 0.000 0.226 101 S C 0.492 175.114 174.600 0.037 0.000 1.054 101 S CA -0.446 57.733 58.200 -0.034 0.000 0.910 101 S CB 0.175 63.230 63.200 -0.241 0.000 0.818 101 S HN 0.680 nan 8.310 nan 0.000 0.490 102 R N -0.725 119.748 120.500 -0.045 0.000 2.771 102 R HA 0.638 4.977 4.340 -0.002 0.000 0.274 102 R C -2.244 174.124 176.300 0.113 0.000 0.987 102 R CA -0.703 55.359 56.100 -0.064 0.000 0.908 102 R CB 1.590 31.738 30.300 -0.253 0.000 1.213 102 R HN 0.241 nan 8.270 nan 0.000 0.468 103 Y N 0.982 121.286 120.300 0.007 0.000 2.638 103 Y HA 0.655 5.204 4.550 -0.002 0.000 0.335 103 Y C -0.641 175.384 175.900 0.207 0.000 1.155 103 Y CA 0.355 58.540 58.100 0.141 0.000 1.046 103 Y CB 2.475 41.065 38.460 0.217 0.000 1.303 103 Y HN 0.933 nan 8.280 nan 0.000 0.460 104 G N 2.553 111.095 108.800 -0.430 0.000 2.339 104 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.381 104 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.381 104 G C -0.591 173.989 174.900 -0.535 0.000 1.400 104 G CA -0.275 44.410 45.100 -0.693 0.000 1.002 104 G HN 0.942 nan 8.290 nan 0.000 0.633 105 N N -0.719 117.621 118.700 -0.600 0.000 2.084 105 N HA -0.079 4.660 4.740 -0.002 0.000 0.190 105 N C 2.075 177.445 175.510 -0.233 0.000 1.030 105 N CA 2.691 55.512 53.050 -0.382 0.000 0.849 105 N CB -0.239 37.999 38.487 -0.416 0.000 1.012 105 N HN 0.537 nan 8.380 nan 0.000 0.423 106 F N 1.392 121.173 119.950 -0.282 0.000 2.043 106 F HA -0.296 4.230 4.527 -0.002 0.000 0.297 106 F C 2.171 177.903 175.800 -0.114 0.000 1.118 106 F CA 2.163 60.059 58.000 -0.174 0.000 1.202 106 F CB -0.352 38.547 39.000 -0.167 0.000 0.965 106 F HN 0.174 nan 8.300 nan 0.000 0.482 107 D N 0.183 120.644 120.400 0.101 0.000 2.097 107 D HA -0.193 4.446 4.640 -0.002 0.000 0.195 107 D C 2.465 178.767 176.300 0.004 0.000 0.989 107 D CA 1.778 55.822 54.000 0.073 0.000 0.827 107 D CB -0.393 40.454 40.800 0.078 0.000 0.966 107 D HN 0.341 nan 8.370 nan 0.000 0.456 108 I N 1.015 121.532 120.570 -0.088 0.000 2.264 108 I HA -0.243 3.925 4.170 -0.002 0.000 0.248 108 I C 2.567 178.674 176.117 -0.016 0.000 1.111 108 I CA 0.507 61.792 61.300 -0.025 0.000 1.382 108 I CB -0.175 37.784 38.000 -0.068 0.000 1.060 108 I HN 0.023 nan 8.210 nan 0.000 0.418 109 L N 0.439 121.609 121.223 -0.087 0.000 2.013 109 L HA -0.257 4.082 4.340 -0.002 0.000 0.212 109 L C 2.853 179.691 176.870 -0.053 0.000 1.073 109 L CA 1.647 56.430 54.840 -0.095 0.000 0.753 109 L CB -0.532 41.397 42.059 -0.218 0.000 0.890 109 L HN 0.264 nan 8.230 nan 0.000 0.432 110 R N -0.328 120.142 120.500 -0.050 0.000 2.096 110 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 110 R C 1.772 178.091 176.300 0.033 0.000 1.127 110 R CA 1.469 57.568 56.100 -0.002 0.000 0.968 110 R CB -0.450 29.871 30.300 0.036 0.000 0.861 110 R HN 0.406 nan 8.270 nan 0.000 0.440 111 D N 0.753 121.185 120.400 0.054 0.000 2.178 111 D HA -0.126 4.513 4.640 -0.002 0.000 0.201 111 D C 1.494 177.862 176.300 0.113 0.000 0.980 111 D CA 1.168 55.217 54.000 0.082 0.000 0.842 111 D CB -0.030 40.840 40.800 0.117 0.000 0.948 111 D HN 0.396 nan 8.370 nan 0.000 0.472 112 E N -0.136 120.119 120.200 0.093 0.000 2.299 112 E HA -0.011 4.338 4.350 -0.002 0.000 0.193 112 E C 2.010 178.682 176.600 0.120 0.000 0.998 112 E CA -0.147 56.316 56.400 0.105 0.000 0.851 112 E CB 0.126 29.870 29.700 0.073 0.000 0.795 112 E HN 0.142 nan 8.360 nan 0.000 0.492 113 L N 1.458 122.740 121.223 0.099 0.000 2.083 113 L HA -0.185 4.154 4.340 -0.002 0.000 0.209 113 L C 1.818 178.765 176.870 0.128 0.000 1.083 113 L CA 1.653 56.556 54.840 0.105 0.000 0.752 113 L CB 0.067 42.122 42.059 -0.006 0.000 0.899 113 L HN 0.012 nan 8.230 nan 0.000 0.433 114 E N -1.191 119.101 120.200 0.153 0.000 2.152 114 E HA -0.161 4.188 4.350 -0.002 0.000 0.192 114 E C 2.167 179.001 176.600 0.391 0.000 0.983 114 E CA 1.175 57.725 56.400 0.249 0.000 0.818 114 E CB -0.052 29.770 29.700 0.205 0.000 0.758 114 E HN 0.389 nan 8.360 nan 0.000 0.467 115 V N 0.759 120.859 119.914 0.311 0.000 2.295 115 V HA -0.229 3.890 4.120 -0.002 0.000 0.246 115 V C 2.280 178.396 176.094 0.037 0.000 1.049 115 V CA 1.301 63.686 62.300 0.141 0.000 1.024 115 V CB -0.341 31.552 31.823 0.115 0.000 0.648 115 V HN 0.143 nan 8.190 nan 0.000 0.447 116 V N -0.178 119.789 119.914 0.090 0.000 2.343 116 V HA -0.238 3.881 4.120 -0.002 0.000 0.247 116 V C 2.349 178.476 176.094 0.055 0.000 1.051 116 V CA 1.792 64.134 62.300 0.071 0.000 1.036 116 V CB -0.501 31.415 31.823 0.155 0.000 0.654 116 V HN 0.437 nan 8.190 nan 0.000 0.451 117 L N -0.331 120.946 121.223 0.090 0.000 2.079 117 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 117 L C 2.647 179.468 176.870 -0.081 0.000 1.081 117 L CA 1.802 56.659 54.840 0.028 0.000 0.752 117 L CB -0.761 41.334 42.059 0.059 0.000 0.896 117 L HN 0.348 nan 8.230 nan 0.000 0.433 118 K N 0.436 120.800 120.400 -0.060 0.000 2.001 118 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 118 K C 1.589 178.051 176.600 -0.230 0.000 1.048 118 K CA 1.787 57.944 56.287 -0.217 0.000 0.932 118 K CB -0.087 32.152 32.500 -0.435 0.000 0.715 118 K HN 0.176 nan 8.250 nan 0.000 0.437 119 D N 0.036 120.336 120.400 -0.166 0.000 2.271 119 D HA -0.154 4.485 4.640 -0.002 0.000 0.207 119 D C 1.517 177.746 176.300 -0.118 0.000 0.983 119 D CA 1.334 55.255 54.000 -0.132 0.000 0.878 119 D CB 0.242 40.989 40.800 -0.089 0.000 0.920 119 D HN 0.262 nan 8.370 nan 0.000 0.479 120 V N -3.125 116.715 119.914 -0.122 0.000 3.612 120 V HA 0.230 4.348 4.120 -0.002 0.000 0.268 120 V C 1.669 177.678 176.094 -0.141 0.000 1.365 120 V CA -0.009 62.230 62.300 -0.102 0.000 1.044 120 V CB -0.071 31.717 31.823 -0.057 0.000 0.820 120 V HN 0.060 nan 8.190 nan 0.000 0.444 121 L N 1.092 122.166 121.223 -0.249 0.000 2.162 121 L HA 0.035 4.374 4.340 -0.002 0.000 0.205 121 L C 2.775 179.476 176.870 -0.281 0.000 1.086 121 L CA 1.925 56.554 54.840 -0.353 0.000 0.778 121 L CB -0.224 41.404 42.059 -0.717 0.000 0.928 121 L HN 0.578 nan 8.230 nan 0.000 0.446 122 Q N -0.108 119.541 119.800 -0.252 0.000 2.360 122 Q HA 0.036 4.375 4.340 -0.002 0.000 0.202 122 Q C 0.231 176.235 176.000 0.006 0.000 0.915 122 Q CA 0.257 56.033 55.803 -0.045 0.000 0.943 122 Q CB 0.403 29.160 28.738 0.031 0.000 1.064 122 Q HN 0.371 nan 8.270 nan 0.000 0.511 123 E N 2.603 122.781 120.200 -0.035 0.000 2.101 123 E HA 0.318 4.667 4.350 -0.002 0.000 0.260 123 E C -2.418 174.175 176.600 -0.012 0.000 0.897 123 E CA -2.564 53.824 56.400 -0.020 0.000 0.744 123 E CB 1.331 31.010 29.700 -0.036 0.000 1.140 123 E HN 0.171 nan 8.360 nan 0.000 0.419 124 P HA -0.121 nan 4.420 nan 0.000 0.267 124 P C -0.942 176.356 177.300 -0.003 0.000 1.175 124 P CA 0.740 63.844 63.100 0.007 0.000 0.763 124 P CB 0.460 32.167 31.700 0.013 0.000 0.795 125 K N 1.296 121.695 120.400 -0.002 0.000 2.507 125 K HA 0.223 4.542 4.320 -0.002 0.000 0.251 125 K C 0.696 177.296 176.600 -0.000 0.000 0.943 125 K CA -0.416 55.868 56.287 -0.005 0.000 0.794 125 K CB 1.594 34.088 32.500 -0.010 0.000 1.188 125 K HN 0.226 nan 8.250 nan 0.000 0.428 126 T N 1.329 115.883 114.554 -0.000 0.000 3.055 126 T HA -0.030 4.319 4.350 -0.002 0.000 0.265 126 T C 0.671 175.373 174.700 0.003 0.000 1.111 126 T CA 1.157 63.259 62.100 0.003 0.000 1.118 126 T CB 0.203 69.072 68.868 0.002 0.000 0.909 126 T HN 0.460 nan 8.240 nan 0.000 0.501 127 E N 1.160 121.361 120.200 0.002 0.000 2.444 127 E HA 0.094 4.443 4.350 -0.002 0.000 0.191 127 E C -0.377 176.225 176.600 0.004 0.000 1.041 127 E CA -0.100 56.301 56.400 0.003 0.000 0.883 127 E CB 0.118 29.818 29.700 0.001 0.000 1.024 127 E HN 0.445 nan 8.360 nan 0.000 0.470 128 D N 2.292 122.694 120.400 0.003 0.000 2.488 128 D HA -0.007 4.632 4.640 -0.002 0.000 0.238 128 D C 0.835 177.141 176.300 0.010 0.000 1.138 128 D CA 0.260 54.263 54.000 0.005 0.000 0.873 128 D CB 0.851 41.654 40.800 0.004 0.000 1.183 128 D HN 0.174 nan 8.370 nan 0.000 0.458 129 I N -0.581 119.998 120.570 0.014 0.000 2.713 129 I HA 0.105 4.274 4.170 -0.002 0.000 0.300 129 I C 1.105 177.237 176.117 0.024 0.000 1.009 129 I CA -0.778 60.534 61.300 0.020 0.000 1.305 129 I CB 1.073 39.088 38.000 0.025 0.000 1.430 129 I HN 0.079 nan 8.210 nan 0.000 0.546 130 V N 4.415 124.345 119.914 0.027 0.000 2.546 130 V HA -0.289 3.830 4.120 -0.002 0.000 0.254 130 V C 2.746 178.857 176.094 0.028 0.000 1.076 130 V CA 2.477 64.791 62.300 0.025 0.000 1.087 130 V CB -1.137 30.701 31.823 0.024 0.000 0.674 130 V HN 0.989 nan 8.190 nan 0.000 0.470 131 A N -0.634 122.215 122.820 0.048 0.000 1.872 131 A HA -0.117 4.202 4.320 -0.002 0.000 0.214 131 A C 2.349 179.924 177.584 -0.016 0.000 1.187 131 A CA 1.615 53.690 52.037 0.063 0.000 0.614 131 A CB -0.642 18.456 19.000 0.162 0.000 0.826 131 A HN 0.298 nan 8.150 nan 0.000 0.442 132 V N 0.172 120.086 119.914 -0.001 0.000 2.453 132 V HA -0.350 3.769 4.120 -0.002 0.000 0.252 132 V C 2.623 178.712 176.094 -0.010 0.000 1.068 132 V CA 2.425 64.714 62.300 -0.017 0.000 1.070 132 V CB -0.785 31.035 31.823 -0.006 0.000 0.664 132 V HN 0.657 nan 8.190 nan 0.000 0.461 133 Q N -1.041 118.762 119.800 0.005 0.000 2.187 133 Q HA -0.158 4.181 4.340 -0.002 0.000 0.199 133 Q C 2.301 178.327 176.000 0.043 0.000 0.957 133 Q CA 1.182 56.998 55.803 0.022 0.000 0.857 133 Q CB -0.017 28.735 28.738 0.022 0.000 0.929 133 Q HN 0.573 nan 8.270 nan 0.000 0.453 134 K N 0.071 120.489 120.400 0.031 0.000 2.062 134 K HA -0.033 4.286 4.320 -0.002 0.000 0.205 134 K C 1.997 178.677 176.600 0.134 0.000 1.051 134 K CA 0.996 57.342 56.287 0.098 0.000 0.941 134 K CB -0.082 32.423 32.500 0.009 0.000 0.719 134 K HN 0.123 nan 8.250 nan 0.000 0.440 135 A N 2.049 124.877 122.820 0.014 0.000 1.865 135 A HA -0.235 4.084 4.320 -0.002 0.000 0.217 135 A C 1.839 179.472 177.584 0.082 0.000 1.191 135 A CA 1.696 53.737 52.037 0.008 0.000 0.623 135 A CB -0.368 18.592 19.000 -0.067 0.000 0.826 135 A HN 0.150 nan 8.150 nan 0.000 0.444 136 K N -0.294 120.150 120.400 0.074 0.000 2.032 136 K HA -0.150 4.169 4.320 -0.002 0.000 0.209 136 K C 2.351 179.045 176.600 0.156 0.000 1.048 136 K CA 1.258 57.620 56.287 0.124 0.000 0.927 136 K CB -0.602 31.940 32.500 0.069 0.000 0.712 136 K HN 0.448 nan 8.250 nan 0.000 0.441 137 A N 2.070 124.962 122.820 0.120 0.000 1.903 137 A HA -0.223 4.096 4.320 -0.002 0.000 0.219 137 A C 2.207 179.845 177.584 0.090 0.000 1.191 137 A CA 1.670 53.777 52.037 0.117 0.000 0.638 137 A CB -0.717 18.374 19.000 0.152 0.000 0.823 137 A HN 0.260 nan 8.150 nan 0.000 0.451 138 L N -1.629 119.637 121.223 0.072 0.000 1.994 138 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 138 L C 2.329 179.219 176.870 0.032 0.000 1.071 138 L CA 2.655 57.445 54.840 -0.082 0.000 0.745 138 L CB -1.169 40.812 42.059 -0.130 0.000 0.892 138 L HN 0.542 nan 8.230 nan 0.000 0.431 139 Y N 0.531 120.828 120.300 -0.006 0.000 2.070 139 Y HA -0.285 4.264 4.550 -0.002 0.000 0.280 139 Y C 2.788 178.680 175.900 -0.014 0.000 1.148 139 Y CA 2.215 60.320 58.100 0.008 0.000 1.125 139 Y CB -0.385 38.086 38.460 0.018 0.000 0.975 139 Y HN 0.145 nan 8.280 nan 0.000 0.492 140 R N -0.110 120.329 120.500 -0.102 0.000 2.127 140 R HA -0.167 4.172 4.340 -0.002 0.000 0.238 140 R C 2.676 178.863 176.300 -0.189 0.000 1.134 140 R CA 1.565 57.557 56.100 -0.180 0.000 0.975 140 R CB -0.528 29.775 30.300 0.005 0.000 0.865 140 R HN 0.554 nan 8.270 nan 0.000 0.447 141 S N -0.446 115.190 115.700 -0.106 0.000 2.402 141 S HA -0.163 4.306 4.470 -0.002 0.000 0.229 141 S C 2.206 176.702 174.600 -0.173 0.000 1.021 141 S CA 1.162 59.326 58.200 -0.061 0.000 0.974 141 S CB -0.331 62.888 63.200 0.031 0.000 0.800 141 S HN 0.525 nan 8.310 nan 0.000 0.484 142 c N 1.852 120.259 118.600 -0.321 0.000 2.485 142 c HA 0.371 4.940 4.570 -0.002 0.000 0.278 142 c C 2.416 176.146 174.090 -0.600 0.000 1.356 142 c CA 0.153 56.058 56.329 -0.706 0.000 1.747 142 c CB -1.426 40.750 42.510 -0.557 0.000 2.001 142 c HN 0.774 nan 8.230 nan 0.000 0.501 143 I N -0.471 119.809 120.570 -0.483 0.000 3.564 143 I HA 0.142 4.311 4.170 -0.002 0.000 0.294 143 I C 0.588 176.570 176.117 -0.225 0.000 1.289 143 I CA 0.780 61.871 61.300 -0.348 0.000 1.325 143 I CB -0.790 36.995 38.000 -0.359 0.000 1.039 143 I HN 0.224 nan 8.210 nan 0.000 0.474 144 N N 3.269 121.847 118.700 -0.204 0.000 2.739 144 N HA 0.025 4.764 4.740 -0.002 0.000 0.266 144 N C 0.870 176.322 175.510 -0.097 0.000 1.168 144 N CA 0.139 53.117 53.050 -0.118 0.000 1.055 144 N CB 0.366 38.803 38.487 -0.082 0.000 1.393 144 N HN 0.399 nan 8.380 nan 0.000 0.514 145 E N 0.426 120.574 120.200 -0.087 0.000 2.085 145 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 145 E C 1.383 177.965 176.600 -0.029 0.000 0.994 145 E CA 0.896 57.260 56.400 -0.061 0.000 0.801 145 E CB -0.011 29.660 29.700 -0.049 0.000 0.743 145 E HN 0.498 nan 8.360 nan 0.000 0.453 146 S N 0.701 116.387 115.700 -0.024 0.000 2.365 146 S HA -0.218 4.251 4.470 -0.002 0.000 0.225 146 S C 2.149 176.746 174.600 -0.005 0.000 1.039 146 S CA 1.511 59.705 58.200 -0.010 0.000 1.033 146 S CB -0.141 63.053 63.200 -0.010 0.000 0.887 146 S HN 0.345 nan 8.310 nan 0.000 0.447 147 A N 0.814 123.629 122.820 -0.009 0.000 1.873 147 A HA 0.038 4.357 4.320 -0.002 0.000 0.215 147 A C 2.155 179.746 177.584 0.012 0.000 1.186 147 A CA 1.528 53.566 52.037 0.002 0.000 0.616 147 A CB -0.768 18.233 19.000 0.002 0.000 0.823 147 A HN 0.599 nan 8.150 nan 0.000 0.442 148 I N 0.132 120.706 120.570 0.006 0.000 2.252 148 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 148 I C 1.872 178.006 176.117 0.029 0.000 1.102 148 I CA 1.441 62.759 61.300 0.029 0.000 1.385 148 I CB -0.285 37.727 38.000 0.020 0.000 1.064 148 I HN 0.272 nan 8.210 nan 0.000 0.414 149 D N 0.270 120.683 120.400 0.021 0.000 2.084 149 D HA -0.168 4.471 4.640 -0.002 0.000 0.194 149 D C 2.317 178.633 176.300 0.027 0.000 0.990 149 D CA 1.381 55.399 54.000 0.031 0.000 0.826 149 D CB -0.485 40.329 40.800 0.024 0.000 0.971 149 D HN 0.137 nan 8.370 nan 0.000 0.453 150 S N 0.245 115.955 115.700 0.017 0.000 2.502 150 S HA -0.295 4.174 4.470 -0.002 0.000 0.288 150 S C 1.749 176.358 174.600 0.015 0.000 1.186 150 S CA 1.817 60.026 58.200 0.015 0.000 1.182 150 S CB -0.240 62.967 63.200 0.011 0.000 1.135 150 S HN 0.303 nan 8.310 nan 0.000 0.442 151 R N 0.465 120.971 120.500 0.011 0.000 2.317 151 R HA 0.259 4.598 4.340 -0.002 0.000 0.208 151 R C 1.718 178.012 176.300 -0.011 0.000 0.914 151 R CA 0.382 56.477 56.100 -0.008 0.000 1.060 151 R CB -0.157 30.129 30.300 -0.023 0.000 1.015 151 R HN 0.485 nan 8.270 nan 0.000 0.498 152 G N 0.541 109.360 108.800 0.031 0.000 2.660 152 G HA2 -0.408 3.551 3.960 -0.002 0.000 0.321 152 G HA3 -0.408 3.551 3.960 -0.002 0.000 0.321 152 G C 0.833 175.770 174.900 0.061 0.000 1.246 152 G CA 0.261 45.415 45.100 0.089 0.000 1.000 152 G HN 0.440 nan 8.290 nan 0.000 0.550 153 G N 0.328 109.174 108.800 0.077 0.000 2.838 153 G HA2 0.332 4.291 3.960 -0.002 0.000 0.210 153 G HA3 0.332 4.291 3.960 -0.002 0.000 0.210 153 G C 1.310 176.062 174.900 -0.247 0.000 1.153 153 G CA 1.501 46.518 45.100 -0.138 0.000 0.778 153 G HN 1.177 nan 8.290 nan 0.000 0.539 154 E N 1.746 121.848 120.200 -0.163 0.000 2.171 154 E HA -0.137 4.212 4.350 -0.002 0.000 0.197 154 E C -0.283 176.149 176.600 -0.280 0.000 0.997 154 E CA 1.346 57.652 56.400 -0.157 0.000 0.810 154 E CB -1.352 28.292 29.700 -0.093 0.000 0.738 154 E HN 0.314 nan 8.360 nan 0.000 0.467 155 P HA -0.151 nan 4.420 nan 0.000 0.219 155 P C 1.182 177.970 177.300 -0.853 0.000 1.146 155 P CA 1.517 64.096 63.100 -0.868 0.000 0.808 155 P CB -0.158 30.511 31.700 -1.718 0.000 0.779 156 L N -3.272 117.581 121.223 -0.618 0.000 2.168 156 L HA 0.037 4.376 4.340 -0.002 0.000 0.203 156 L C 2.249 179.046 176.870 -0.122 0.000 1.078 156 L CA 0.885 55.558 54.840 -0.278 0.000 0.780 156 L CB -1.867 40.038 42.059 -0.258 0.000 0.939 156 L HN -0.101 nan 8.230 nan 0.000 0.451 157 L N 1.028 122.186 121.223 -0.109 0.000 2.085 157 L HA -0.270 4.069 4.340 -0.002 0.000 0.218 157 L C 2.617 179.486 176.870 -0.001 0.000 1.080 157 L CA 2.080 56.909 54.840 -0.018 0.000 0.776 157 L CB -1.136 40.911 42.059 -0.020 0.000 0.891 157 L HN 0.367 nan 8.230 nan 0.000 0.437 158 K N -0.322 120.050 120.400 -0.048 0.000 2.280 158 K HA -0.155 4.164 4.320 -0.002 0.000 0.202 158 K C 1.875 178.507 176.600 0.054 0.000 1.047 158 K CA 0.943 57.230 56.287 -0.001 0.000 0.942 158 K CB 0.093 32.574 32.500 -0.031 0.000 0.739 158 K HN 0.074 nan 8.250 nan 0.000 0.457 159 L N -0.243 121.005 121.223 0.042 0.000 2.269 159 L HA 0.042 4.381 4.340 -0.002 0.000 0.200 159 L C 1.659 178.582 176.870 0.087 0.000 1.069 159 L CA 0.904 55.799 54.840 0.091 0.000 0.804 159 L CB -0.749 41.349 42.059 0.065 0.000 0.987 159 L HN 0.105 nan 8.230 nan 0.000 0.468 160 L N 0.627 121.892 121.223 0.069 0.000 2.103 160 L HA -0.215 4.124 4.340 -0.002 0.000 0.215 160 L C -0.331 176.580 176.870 0.069 0.000 1.080 160 L CA 2.120 57.014 54.840 0.090 0.000 0.764 160 L CB -2.569 39.575 42.059 0.141 0.000 0.890 160 L HN 0.282 nan 8.230 nan 0.000 0.435 161 P HA -0.032 nan 4.420 nan 0.000 0.231 161 P C 1.165 178.511 177.300 0.076 0.000 1.168 161 P CA 0.678 63.877 63.100 0.166 0.000 0.779 161 P CB 0.153 32.002 31.700 0.248 0.000 0.844 162 D N 0.051 120.496 120.400 0.074 0.000 2.149 162 D HA -0.068 4.570 4.640 -0.002 0.000 0.201 162 D C 1.445 177.741 176.300 -0.008 0.000 0.972 162 D CA 0.844 54.880 54.000 0.061 0.000 0.835 162 D CB -0.159 40.773 40.800 0.220 0.000 0.966 162 D HN 0.191 nan 8.370 nan 0.000 0.476 163 I N -2.810 117.815 120.570 0.091 0.000 3.884 163 I HA 0.105 4.274 4.170 -0.002 0.000 0.330 163 I C -0.408 175.958 176.117 0.415 0.000 1.451 163 I CA -0.295 61.167 61.300 0.269 0.000 1.165 163 I CB -0.749 37.389 38.000 0.230 0.000 1.097 163 I HN -0.078 nan 8.210 nan 0.000 0.404 164 Y N 1.062 121.358 120.300 -0.008 0.000 4.409 164 Y HA -0.122 4.427 4.550 -0.002 0.000 0.228 164 Y C 1.184 176.802 175.900 -0.470 0.000 1.108 164 Y CA 0.930 58.872 58.100 -0.263 0.000 1.955 164 Y CB -2.110 36.505 38.460 0.258 0.000 1.615 164 Y HN 0.787 nan 8.280 nan 0.000 0.665 165 G N -1.640 107.056 108.800 -0.173 0.000 2.710 165 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.668 165 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.668 165 G C -1.076 174.030 174.900 0.344 0.000 1.320 165 G CA -0.563 44.535 45.100 -0.003 0.000 0.860 165 G HN 0.732 nan 8.290 nan 0.000 0.538 166 W N 2.773 124.138 121.300 0.108 0.000 2.443 166 W HA 0.645 5.304 4.660 -0.002 0.000 0.303 166 W C -1.770 174.697 176.519 -0.086 0.000 0.991 166 W CA -2.484 54.865 57.345 0.006 0.000 1.522 166 W CB 1.117 30.596 29.460 0.033 0.000 1.315 166 W HN 0.414 nan 8.180 nan 0.000 0.419 167 P HA -0.292 nan 4.420 nan 0.000 0.215 167 P C 1.778 178.814 177.300 -0.440 0.000 1.163 167 P CA 2.175 64.888 63.100 -0.645 0.000 0.894 167 P CB -0.013 31.073 31.700 -1.023 0.000 0.791 168 V N -1.260 118.224 119.914 -0.717 0.000 3.186 168 V HA -0.006 4.113 4.120 -0.002 0.000 0.270 168 V C 1.113 176.895 176.094 -0.520 0.000 1.149 168 V CA 1.745 63.664 62.300 -0.634 0.000 1.160 168 V CB -1.493 29.848 31.823 -0.802 0.000 0.758 168 V HN 0.110 nan 8.190 nan 0.000 0.516 169 A N -0.520 122.042 122.820 -0.430 0.000 2.956 169 A HA 0.632 4.951 4.320 -0.002 0.000 0.294 169 A C 0.284 177.888 177.584 0.033 0.000 0.993 169 A CA -0.072 51.877 52.037 -0.147 0.000 1.032 169 A CB 0.248 19.221 19.000 -0.046 0.000 1.129 169 A HN 0.407 nan 8.150 nan 0.000 0.505 170 T N 1.635 116.221 114.554 0.053 0.000 2.886 170 T HA 0.313 4.662 4.350 -0.002 0.000 0.292 170 T C -0.392 174.382 174.700 0.123 0.000 1.012 170 T CA -0.627 61.577 62.100 0.174 0.000 0.982 170 T CB 1.255 70.360 68.868 0.395 0.000 1.018 170 T HN 0.596 nan 8.240 nan 0.000 0.451 171 E N 3.971 124.234 120.200 0.105 0.000 2.606 171 E HA -0.093 4.256 4.350 -0.002 0.000 0.248 171 E C -0.359 176.307 176.600 0.111 0.000 1.005 171 E CA -0.100 56.350 56.400 0.084 0.000 0.946 171 E CB -0.137 29.600 29.700 0.061 0.000 0.928 171 E HN 0.600 nan 8.360 nan 0.000 0.494 172 N N 2.273 121.035 118.700 0.103 0.000 2.708 172 N HA -0.216 4.523 4.740 -0.002 0.000 0.255 172 N C -0.061 175.536 175.510 0.146 0.000 1.046 172 N CA 0.977 54.086 53.050 0.098 0.000 0.715 172 N CB -1.302 37.212 38.487 0.044 0.000 0.895 172 N HN 0.801 nan 8.380 nan 0.000 0.545 173 W N 1.349 122.679 121.300 0.050 0.000 2.329 173 W HA -0.198 4.461 4.660 -0.002 0.000 0.324 173 W C 1.983 178.569 176.519 0.111 0.000 1.222 173 W CA 2.374 59.786 57.345 0.113 0.000 1.270 173 W CB -0.262 29.244 29.460 0.076 0.000 1.167 173 W HN 0.299 nan 8.180 nan 0.000 0.467 174 E N -0.352 120.001 120.200 0.255 0.000 2.197 174 E HA -0.378 3.971 4.350 -0.002 0.000 0.205 174 E C 1.925 178.442 176.600 -0.138 0.000 1.029 174 E CA 2.507 58.943 56.400 0.060 0.000 0.828 174 E CB -0.634 29.145 29.700 0.131 0.000 0.737 174 E HN 0.620 nan 8.360 nan 0.000 0.464 175 Q N 0.054 119.793 119.800 -0.101 0.000 2.376 175 Q HA 0.033 4.372 4.340 -0.002 0.000 0.206 175 Q C 1.536 177.419 176.000 -0.194 0.000 0.921 175 Q CA 0.821 56.558 55.803 -0.110 0.000 0.911 175 Q CB 0.253 28.958 28.738 -0.056 0.000 1.032 175 Q HN 0.076 nan 8.270 nan 0.000 0.510 176 K N -1.048 119.184 120.400 -0.280 0.000 2.116 176 K HA -0.041 4.278 4.320 -0.002 0.000 0.203 176 K C 0.656 176.801 176.600 -0.758 0.000 1.052 176 K CA 1.376 57.368 56.287 -0.493 0.000 0.952 176 K CB 0.221 32.429 32.500 -0.486 0.000 0.729 176 K HN 0.274 nan 8.250 nan 0.000 0.446 177 Y N -2.439 117.583 120.300 -0.464 0.000 2.652 177 Y HA 0.219 4.768 4.550 -0.002 0.000 0.274 177 Y C 2.068 177.787 175.900 -0.303 0.000 1.148 177 Y CA -0.018 57.867 58.100 -0.359 0.000 1.219 177 Y CB -0.066 38.138 38.460 -0.426 0.000 1.337 177 Y HN -0.001 nan 8.280 nan 0.000 0.490 178 G N 0.354 108.889 108.800 -0.443 0.000 2.509 178 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.218 178 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.218 178 G C 1.764 176.682 174.900 0.031 0.000 1.124 178 G CA 1.006 45.973 45.100 -0.222 0.000 0.776 178 G HN 0.405 nan 8.290 nan 0.000 0.547 179 A N 1.302 124.120 122.820 -0.002 0.000 1.865 179 A HA -0.062 4.257 4.320 -0.002 0.000 0.217 179 A C 2.742 180.391 177.584 0.109 0.000 1.191 179 A CA 2.510 54.574 52.037 0.044 0.000 0.623 179 A CB -0.718 18.285 19.000 0.005 0.000 0.826 179 A HN 0.395 nan 8.150 nan 0.000 0.444 180 S N -1.969 113.812 115.700 0.135 0.000 2.329 180 S HA -0.072 4.397 4.470 -0.002 0.000 0.215 180 S C 0.601 175.348 174.600 0.246 0.000 1.031 180 S CA 0.278 58.592 58.200 0.189 0.000 0.985 180 S CB -0.895 62.449 63.200 0.240 0.000 0.917 180 S HN 0.715 nan 8.310 nan 0.000 0.441 181 W N 3.181 124.540 121.300 0.098 0.000 2.694 181 W HA -0.059 4.600 4.660 -0.002 0.000 0.306 181 W C 0.186 176.666 176.519 -0.066 0.000 0.835 181 W CA 1.637 58.956 57.345 -0.044 0.000 0.962 181 W CB -0.068 29.434 29.460 0.071 0.000 1.046 181 W HN 0.223 nan 8.180 nan 0.000 0.516 182 T N 5.179 119.215 114.554 -0.865 0.000 2.916 182 T HA 0.515 4.864 4.350 -0.002 0.000 0.298 182 T C 0.987 174.753 174.700 -1.557 0.000 1.031 182 T CA 0.012 61.410 62.100 -1.169 0.000 0.993 182 T CB 1.208 69.782 68.868 -0.490 0.000 1.045 182 T HN 1.461 nan 8.240 nan 0.000 0.454 183 A N 4.126 125.882 122.820 -1.773 0.000 1.779 183 A HA -0.339 3.980 4.320 -0.002 0.000 0.327 183 A C 1.933 179.263 177.584 -0.423 0.000 4.078 183 A CA 3.108 54.741 52.037 -0.673 0.000 1.006 183 A CB -1.669 17.211 19.000 -0.200 0.000 0.657 183 A HN 0.997 nan 8.150 nan 0.000 0.491 184 E N 0.338 120.345 120.200 -0.322 0.000 2.072 184 E HA -0.196 4.153 4.350 -0.002 0.000 0.190 184 E C 2.035 178.620 176.600 -0.025 0.000 0.982 184 E CA 1.402 57.733 56.400 -0.116 0.000 0.803 184 E CB -0.422 29.153 29.700 -0.209 0.000 0.755 184 E HN 0.960 nan 8.360 nan 0.000 0.453 185 K N 1.478 121.769 120.400 -0.181 0.000 2.044 185 K HA 0.131 4.450 4.320 -0.002 0.000 0.204 185 K C 2.386 178.927 176.600 -0.098 0.000 1.049 185 K CA 0.922 57.167 56.287 -0.070 0.000 0.945 185 K CB -0.309 32.181 32.500 -0.017 0.000 0.724 185 K HN 0.045 nan 8.250 nan 0.000 0.440 186 A N 2.490 125.009 122.820 -0.502 0.000 1.837 186 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 186 A C 2.342 179.899 177.584 -0.045 0.000 1.210 186 A CA 1.900 53.667 52.037 -0.450 0.000 0.632 186 A CB -1.007 17.582 19.000 -0.686 0.000 0.843 186 A HN 0.294 nan 8.150 nan 0.000 0.448 187 I N -0.064 120.461 120.570 -0.074 0.000 2.185 187 I HA -0.376 3.793 4.170 -0.002 0.000 0.246 187 I C 2.899 179.101 176.117 0.141 0.000 1.088 187 I CA 1.540 62.863 61.300 0.039 0.000 1.347 187 I CB -0.254 37.725 38.000 -0.035 0.000 1.041 187 I HN 0.405 nan 8.210 nan 0.000 0.415 188 A N -0.695 122.232 122.820 0.179 0.000 1.969 188 A HA -0.212 4.106 4.320 -0.002 0.000 0.218 188 A C 2.277 179.930 177.584 0.114 0.000 1.169 188 A CA 1.268 53.421 52.037 0.193 0.000 0.635 188 A CB -0.390 18.718 19.000 0.179 0.000 0.810 188 A HN 0.392 nan 8.150 nan 0.000 0.445 189 Q N -0.169 119.720 119.800 0.148 0.000 2.016 189 Q HA -0.092 4.247 4.340 -0.002 0.000 0.200 189 Q C 2.221 178.304 176.000 0.138 0.000 0.978 189 Q CA 1.252 57.153 55.803 0.163 0.000 0.833 189 Q CB -0.538 28.390 28.738 0.318 0.000 0.895 189 Q HN 0.711 nan 8.270 nan 0.000 0.427 190 L N 1.311 122.628 121.223 0.157 0.000 1.997 190 L HA -0.333 4.006 4.340 -0.002 0.000 0.227 190 L C 2.438 179.310 176.870 0.003 0.000 1.087 190 L CA 1.844 56.715 54.840 0.053 0.000 0.797 190 L CB -0.879 41.187 42.059 0.012 0.000 0.902 190 L HN 0.365 nan 8.230 nan 0.000 0.441 191 N N -0.610 118.112 118.700 0.035 0.000 2.036 191 N HA -0.221 4.518 4.740 -0.002 0.000 0.195 191 N C 2.007 177.500 175.510 -0.028 0.000 1.037 191 N CA 2.224 55.287 53.050 0.021 0.000 0.855 191 N CB -0.031 38.498 38.487 0.069 0.000 1.033 191 N HN 0.248 nan 8.380 nan 0.000 0.423 192 S N -0.292 115.383 115.700 -0.041 0.000 2.377 192 S HA 0.021 4.489 4.470 -0.002 0.000 0.223 192 S C 1.907 176.409 174.600 -0.163 0.000 1.030 192 S CA 0.978 59.127 58.200 -0.085 0.000 0.970 192 S CB 0.001 63.160 63.200 -0.070 0.000 0.830 192 S HN 0.321 nan 8.310 nan 0.000 0.473 193 K N -1.006 119.223 120.400 -0.285 0.000 2.098 193 K HA 0.089 4.408 4.320 -0.002 0.000 0.203 193 K C 0.987 177.271 176.600 -0.528 0.000 1.051 193 K CA 1.295 57.243 56.287 -0.565 0.000 0.957 193 K CB -0.057 31.786 32.500 -1.095 0.000 0.738 193 K HN 0.456 nan 8.250 nan 0.000 0.447 194 Y N -1.615 118.597 120.300 -0.147 0.000 2.426 194 Y HA 0.312 4.861 4.550 -0.002 0.000 0.249 194 Y C 1.066 176.824 175.900 -0.236 0.000 1.103 194 Y CA -0.108 57.843 58.100 -0.249 0.000 1.256 194 Y CB 0.976 39.028 38.460 -0.680 0.000 1.208 194 Y HN 0.174 nan 8.280 nan 0.000 0.519 195 G N 1.301 110.065 108.800 -0.059 0.000 2.233 195 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.270 195 G HA3 -0.379 3.580 3.960 -0.002 0.000 0.270 195 G C 0.221 175.095 174.900 -0.044 0.000 1.011 195 G CA 0.620 45.695 45.100 -0.041 0.000 0.762 195 G HN 0.258 nan 8.290 nan 0.000 0.511 196 K N 0.952 121.288 120.400 -0.107 0.000 2.276 196 K HA 0.478 4.797 4.320 -0.002 0.000 0.283 196 K C 0.432 177.006 176.600 -0.043 0.000 1.044 196 K CA -0.337 55.893 56.287 -0.095 0.000 0.944 196 K CB 0.445 32.819 32.500 -0.209 0.000 1.012 196 K HN 0.252 nan 8.250 nan 0.000 0.472 197 K N 4.001 124.400 120.400 -0.002 0.000 2.358 197 K HA 0.442 4.761 4.320 -0.002 0.000 0.260 197 K C -0.957 175.667 176.600 0.040 0.000 0.956 197 K CA -1.090 55.222 56.287 0.041 0.000 0.834 197 K CB 1.502 34.040 32.500 0.063 0.000 1.102 197 K HN 0.434 nan 8.250 nan 0.000 0.431 198 V N 2.159 122.106 119.914 0.054 0.000 3.007 198 V HA 0.393 4.512 4.120 -0.002 0.000 0.311 198 V C 0.781 176.907 176.094 0.053 0.000 1.120 198 V CA -0.826 61.502 62.300 0.047 0.000 0.980 198 V CB 1.254 33.102 31.823 0.042 0.000 1.033 198 V HN 0.871 nan 8.190 nan 0.000 0.429 199 L N 1.373 122.630 121.223 0.057 0.000 3.412 199 L HA -0.213 4.126 4.340 -0.002 0.000 0.253 199 L C 0.189 177.137 176.870 0.129 0.000 4.367 199 L CA 2.386 57.266 54.840 0.067 0.000 0.793 199 L CB -1.384 40.665 42.059 -0.017 0.000 3.488 199 L HN 0.772 nan 8.230 nan 0.000 0.786 200 I N 0.865 121.481 120.570 0.076 0.000 2.448 200 I HA 0.293 4.462 4.170 -0.002 0.000 0.281 200 I C 0.177 176.441 176.117 0.245 0.000 1.027 200 I CA -0.217 61.183 61.300 0.166 0.000 1.111 200 I CB 1.276 39.270 38.000 -0.011 0.000 1.236 200 I HN 0.151 nan 8.210 nan 0.000 0.452 201 N N 7.014 125.855 118.700 0.235 0.000 2.401 201 N HA 0.323 5.062 4.740 -0.002 0.000 0.255 201 N C -1.298 174.419 175.510 0.345 0.000 1.110 201 N CA -0.308 52.890 53.050 0.247 0.000 0.949 201 N CB 0.757 39.349 38.487 0.175 0.000 1.110 201 N HN 0.460 nan 8.380 nan 0.000 0.490 202 L N 5.776 127.202 121.223 0.339 0.000 2.349 202 L HA 0.677 5.016 4.340 -0.002 0.000 0.278 202 L C -1.423 175.581 176.870 0.222 0.000 0.996 202 L CA -0.920 54.072 54.840 0.254 0.000 0.825 202 L CB -0.147 42.046 42.059 0.225 0.000 1.243 202 L HN 0.446 nan 8.230 nan 0.000 0.412 203 F N 3.374 123.347 119.950 0.038 0.000 2.764 203 F HA 0.912 5.438 4.527 -0.002 0.000 0.347 203 F C -1.120 174.679 175.800 -0.003 0.000 1.151 203 F CA -1.274 56.717 58.000 -0.015 0.000 1.021 203 F CB 1.441 40.409 39.000 -0.054 0.000 1.438 203 F HN 0.138 nan 8.300 nan 0.000 0.516 204 V N 0.725 120.714 119.914 0.124 0.000 2.540 204 V HA 0.842 4.961 4.120 -0.002 0.000 0.302 204 V C -0.049 176.101 176.094 0.094 0.000 1.035 204 V CA -0.134 62.175 62.300 0.013 0.000 0.873 204 V CB 1.154 32.928 31.823 -0.082 0.000 0.992 204 V HN 1.189 nan 8.190 nan 0.000 0.428 205 G N 1.808 110.677 108.800 0.115 0.000 2.694 205 G HA2 0.501 4.460 3.960 -0.002 0.000 0.290 205 G HA3 0.501 4.460 3.960 -0.002 0.000 0.290 205 G C -0.588 174.553 174.900 0.403 0.000 1.386 205 G CA -0.564 44.636 45.100 0.166 0.000 0.872 205 G HN 0.477 nan 8.290 nan 0.000 0.475 206 T N 1.103 115.911 114.554 0.424 0.000 2.908 206 T HA 0.143 4.492 4.350 -0.002 0.000 0.301 206 T C 0.100 174.995 174.700 0.324 0.000 1.019 206 T CA 0.531 62.850 62.100 0.365 0.000 1.152 206 T CB 0.293 69.259 68.868 0.163 0.000 0.966 206 T HN 0.491 nan 8.240 nan 0.000 0.540 207 D N 2.951 123.502 120.400 0.253 0.000 2.390 207 D HA 0.044 4.683 4.640 -0.002 0.000 0.249 207 D C 0.773 177.245 176.300 0.286 0.000 1.144 207 D CA -0.455 53.693 54.000 0.246 0.000 0.880 207 D CB 0.925 41.807 40.800 0.137 0.000 1.182 207 D HN 0.422 nan 8.370 nan 0.000 0.451 208 D N 2.851 123.512 120.400 0.435 0.000 2.269 208 D HA -0.089 4.550 4.640 -0.002 0.000 0.208 208 D C 1.223 177.657 176.300 0.224 0.000 0.963 208 D CA 0.690 54.954 54.000 0.440 0.000 0.864 208 D CB 0.433 41.585 40.800 0.586 0.000 0.936 208 D HN 0.316 nan 8.370 nan 0.000 0.505 209 K N 0.224 120.714 120.400 0.151 0.000 2.262 209 K HA 0.062 4.381 4.320 -0.002 0.000 0.200 209 K C 0.663 177.295 176.600 0.055 0.000 1.049 209 K CA 0.237 56.526 56.287 0.003 0.000 0.979 209 K CB 0.165 32.647 32.500 -0.029 0.000 0.773 209 K HN -0.052 nan 8.250 nan 0.000 0.474 210 N N 0.173 118.926 118.700 0.089 0.000 2.607 210 N HA 0.020 4.759 4.740 -0.002 0.000 0.271 210 N C -0.819 174.713 175.510 0.037 0.000 1.142 210 N CA 0.011 53.092 53.050 0.051 0.000 0.810 210 N CB 1.255 39.762 38.487 0.033 0.000 1.306 210 N HN -0.051 nan 8.380 nan 0.000 0.536 211 S N 1.554 117.270 115.700 0.026 0.000 2.618 211 S HA 0.044 4.513 4.470 -0.002 0.000 0.242 211 S C 1.291 175.856 174.600 -0.058 0.000 0.972 211 S CA 0.100 58.300 58.200 0.001 0.000 1.004 211 S CB -0.467 62.744 63.200 0.018 0.000 0.778 211 S HN 0.310 nan 8.310 nan 0.000 0.459 212 V N -1.287 118.588 119.914 -0.066 0.000 3.471 212 V HA 0.443 4.562 4.120 -0.002 0.000 0.258 212 V C -0.032 175.962 176.094 -0.168 0.000 1.192 212 V CA -0.063 62.172 62.300 -0.108 0.000 1.116 212 V CB -0.482 31.298 31.823 -0.071 0.000 0.792 212 V HN 0.404 nan 8.190 nan 0.000 0.459 213 N N 0.956 119.584 118.700 -0.120 0.000 2.399 213 N HA 0.435 5.174 4.740 -0.002 0.000 0.295 213 N C -1.032 174.436 175.510 -0.070 0.000 1.048 213 N CA -0.356 52.634 53.050 -0.100 0.000 0.886 213 N CB 0.982 39.454 38.487 -0.026 0.000 1.185 213 N HN 0.370 nan 8.380 nan 0.000 0.487 214 H N 0.135 119.216 119.070 0.017 0.000 2.482 214 H HA 0.596 5.151 4.556 -0.002 0.000 0.344 214 H C 0.065 175.396 175.328 0.004 0.000 1.151 214 H CA -0.304 55.761 56.048 0.029 0.000 1.300 214 H CB 1.194 30.964 29.762 0.013 0.000 1.494 214 H HN 0.178 nan 8.280 nan 0.000 0.542 215 V N 0.995 121.004 119.914 0.160 0.000 3.203 215 V HA 0.371 4.490 4.120 -0.002 0.000 0.305 215 V C 0.030 176.077 176.094 -0.079 0.000 1.361 215 V CA -1.051 61.233 62.300 -0.026 0.000 1.066 215 V CB 2.007 33.730 31.823 -0.166 0.000 1.085 215 V HN 0.504 nan 8.190 nan 0.000 0.456 216 I N 1.250 121.692 120.570 -0.213 0.000 2.365 216 I HA 0.497 4.666 4.170 -0.002 0.000 0.291 216 I C -0.657 175.160 176.117 -0.500 0.000 1.004 216 I CA -0.127 61.028 61.300 -0.242 0.000 1.311 216 I CB 0.947 38.832 38.000 -0.192 0.000 1.401 216 I HN 0.701 nan 8.210 nan 0.000 0.491 217 H N 5.885 124.478 119.070 -0.795 0.000 2.529 217 H HA 0.552 5.107 4.556 -0.002 0.000 0.348 217 H C -0.655 174.336 175.328 -0.561 0.000 1.152 217 H CA -0.709 54.791 56.048 -0.913 0.000 1.202 217 H CB 1.502 30.298 29.762 -1.611 0.000 1.562 217 H HN 0.238 nan 8.280 nan 0.000 0.515 218 I N 1.892 122.337 120.570 -0.209 0.000 2.441 218 I HA 0.312 4.481 4.170 -0.002 0.000 0.295 218 I C -0.114 176.065 176.117 0.103 0.000 0.994 218 I CA -0.468 60.855 61.300 0.038 0.000 1.144 218 I CB 1.478 39.526 38.000 0.079 0.000 1.314 218 I HN 0.647 nan 8.210 nan 0.000 0.445 219 D N 2.799 123.342 120.400 0.237 0.000 2.579 219 D HA 0.307 4.946 4.640 -0.002 0.000 0.257 219 D C -0.776 175.589 176.300 0.108 0.000 1.176 219 D CA -0.365 53.780 54.000 0.242 0.000 0.914 219 D CB 1.839 42.875 40.800 0.394 0.000 1.431 219 D HN 0.501 nan 8.370 nan 0.000 0.454 220 Q N 0.452 120.180 119.800 -0.121 0.000 2.454 220 Q HA 0.382 4.721 4.340 -0.002 0.000 0.247 220 Q C -2.194 173.617 176.000 -0.315 0.000 1.028 220 Q CA -1.323 54.101 55.803 -0.632 0.000 0.910 220 Q CB 0.253 28.393 28.738 -0.997 0.000 1.276 220 Q HN 0.141 nan 8.270 nan 0.000 0.489 221 P HA 0.085 nan 4.420 nan 0.000 0.275 221 P C -0.392 176.834 177.300 -0.124 0.000 1.227 221 P CA -0.215 62.807 63.100 -0.129 0.000 0.781 221 P CB 0.727 32.389 31.700 -0.064 0.000 0.906 222 R N 1.596 122.057 120.500 -0.065 0.000 2.924 222 R HA 0.232 4.571 4.340 -0.002 0.000 0.272 222 R C 0.492 176.784 176.300 -0.014 0.000 1.012 222 R CA 0.192 56.269 56.100 -0.038 0.000 1.171 222 R CB -0.311 29.977 30.300 -0.021 0.000 1.086 222 R HN 0.541 nan 8.270 nan 0.000 0.489 223 L N -2.099 119.138 121.223 0.023 0.000 2.303 223 L HA 0.491 4.830 4.340 -0.002 0.000 0.256 223 L C 1.573 178.520 176.870 0.128 0.000 1.034 223 L CA -0.876 54.010 54.840 0.076 0.000 0.832 223 L CB 1.208 43.311 42.059 0.073 0.000 1.403 223 L HN 0.618 nan 8.230 nan 0.000 0.419 224 G N 0.460 109.399 108.800 0.232 0.000 2.404 224 G HA2 0.041 4.000 3.960 -0.002 0.000 0.215 224 G HA3 0.041 4.000 3.960 -0.002 0.000 0.215 224 G C 0.628 175.458 174.900 -0.116 0.000 1.174 224 G CA 0.398 45.584 45.100 0.144 0.000 0.780 224 G HN 0.295 nan 8.290 nan 0.000 0.537 225 L N 0.193 121.301 121.223 -0.191 0.000 2.479 225 L HA 0.256 4.595 4.340 -0.002 0.000 0.249 225 L C -1.127 175.561 176.870 -0.303 0.000 1.178 225 L CA -1.783 52.784 54.840 -0.456 0.000 0.811 225 L CB 0.792 42.348 42.059 -0.837 0.000 1.187 225 L HN -0.084 nan 8.230 nan 0.000 0.480 226 P HA -0.085 nan 4.420 nan 0.000 0.215 226 P C -0.128 177.116 177.300 -0.093 0.000 1.157 226 P CA 0.957 63.870 63.100 -0.311 0.000 0.863 226 P CB 0.216 31.648 31.700 -0.447 0.000 0.787 227 S N -2.760 112.925 115.700 -0.025 0.000 2.671 227 S HA 0.392 4.861 4.470 -0.002 0.000 0.277 227 S C 0.862 175.589 174.600 0.212 0.000 1.165 227 S CA -0.907 57.356 58.200 0.106 0.000 0.822 227 S CB 1.515 64.781 63.200 0.109 0.000 1.150 227 S HN -0.003 nan 8.310 nan 0.000 0.479 228 R N 0.527 121.133 120.500 0.177 0.000 2.152 228 R HA -0.013 4.326 4.340 -0.002 0.000 0.232 228 R C 0.727 177.134 176.300 0.177 0.000 1.117 228 R CA 1.897 58.131 56.100 0.223 0.000 0.981 228 R CB -1.216 29.136 30.300 0.086 0.000 0.870 228 R HN 0.672 nan 8.270 nan 0.000 0.451 229 D N 0.491 120.914 120.400 0.038 0.000 2.158 229 D HA -0.202 4.437 4.640 -0.002 0.000 0.197 229 D C 1.274 177.278 176.300 -0.494 0.000 0.995 229 D CA 1.328 55.211 54.000 -0.195 0.000 0.846 229 D CB -0.241 40.429 40.800 -0.216 0.000 0.941 229 D HN 0.221 nan 8.370 nan 0.000 0.456 230 Y N -0.437 119.558 120.300 -0.508 0.000 2.207 230 Y HA -0.229 4.320 4.550 -0.002 0.000 0.287 230 Y C 1.560 177.220 175.900 -0.400 0.000 1.156 230 Y CA 1.191 58.914 58.100 -0.628 0.000 1.182 230 Y CB -0.484 37.686 38.460 -0.484 0.000 0.979 230 Y HN 0.160 nan 8.280 nan 0.000 0.521 231 Y N -0.258 120.038 120.300 -0.008 0.000 2.578 231 Y HA -0.086 4.463 4.550 -0.002 0.000 0.297 231 Y C 2.041 177.955 175.900 0.023 0.000 1.176 231 Y CA 0.349 58.485 58.100 0.061 0.000 1.315 231 Y CB -0.445 38.060 38.460 0.074 0.000 1.031 231 Y HN 0.207 nan 8.280 nan 0.000 0.524 232 E N -0.730 119.495 120.200 0.043 0.000 2.021 232 E HA -0.284 4.065 4.350 -0.002 0.000 0.200 232 E C 0.854 177.501 176.600 0.078 0.000 1.015 232 E CA 1.894 58.312 56.400 0.030 0.000 0.824 232 E CB -0.163 29.511 29.700 -0.043 0.000 0.762 232 E HN 0.421 nan 8.360 nan 0.000 0.454 233 c N 0.380 119.025 118.600 0.074 0.000 4.584 233 c HA -0.113 4.456 4.570 -0.002 0.000 0.288 233 c C 0.397 174.563 174.090 0.125 0.000 1.284 233 c CA 0.540 56.939 56.329 0.118 0.000 2.038 233 c CB -2.579 40.005 42.510 0.123 0.000 1.246 233 c HN 0.648 nan 8.230 nan 0.000 0.765 234 T N -2.602 112.048 114.554 0.160 0.000 2.843 234 T HA 0.721 5.069 4.350 -0.002 0.000 0.302 234 T C 0.686 175.425 174.700 0.064 0.000 1.232 234 T CA 1.052 63.212 62.100 0.100 0.000 1.009 234 T CB 1.774 70.685 68.868 0.072 0.000 1.254 234 T HN 2.365 nan 8.240 nan 0.000 0.504 235 G N 2.078 110.868 108.800 -0.016 0.000 2.583 235 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.292 235 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.292 235 G C 1.002 175.772 174.900 -0.217 0.000 1.203 235 G CA 0.967 46.004 45.100 -0.104 0.000 0.987 235 G HN 2.001 nan 8.290 nan 0.000 0.554 236 I N -1.432 118.878 120.570 -0.434 0.000 3.241 236 I HA 0.248 4.416 4.170 -0.002 0.000 0.280 236 I C 1.578 177.257 176.117 -0.730 0.000 1.320 236 I CA 1.321 62.287 61.300 -0.557 0.000 1.413 236 I CB -0.423 37.186 38.000 -0.652 0.000 1.060 236 I HN 0.420 nan 8.210 nan 0.000 0.500 237 Y N 0.107 120.264 120.300 -0.238 0.000 2.531 237 Y HA 0.346 4.895 4.550 -0.002 0.000 0.249 237 Y C 2.058 177.892 175.900 -0.110 0.000 1.168 237 Y CA -0.648 57.262 58.100 -0.317 0.000 1.226 237 Y CB -0.347 37.804 38.460 -0.515 0.000 1.177 237 Y HN 0.029 nan 8.280 nan 0.000 0.527 238 K N 1.608 122.018 120.400 0.018 0.000 1.978 238 K HA -0.278 4.041 4.320 -0.002 0.000 0.214 238 K C 2.119 178.769 176.600 0.083 0.000 1.049 238 K CA 2.187 58.507 56.287 0.054 0.000 0.939 238 K CB -0.026 32.485 32.500 0.019 0.000 0.721 238 K HN 0.184 nan 8.250 nan 0.000 0.441 239 E N 0.608 120.843 120.200 0.058 0.000 2.055 239 E HA -0.263 4.086 4.350 -0.002 0.000 0.209 239 E C 1.720 178.412 176.600 0.154 0.000 1.036 239 E CA 2.322 58.772 56.400 0.084 0.000 0.849 239 E CB -0.803 28.926 29.700 0.048 0.000 0.767 239 E HN 0.411 nan 8.360 nan 0.000 0.461 240 A N -0.149 122.779 122.820 0.181 0.000 1.958 240 A HA -0.274 4.045 4.320 -0.002 0.000 0.221 240 A C 2.718 180.515 177.584 0.356 0.000 1.178 240 A CA 1.894 54.098 52.037 0.278 0.000 0.642 240 A CB -1.223 18.059 19.000 0.471 0.000 0.816 240 A HN 0.549 nan 8.150 nan 0.000 0.453 241 c N -1.557 117.215 118.600 0.287 0.000 2.457 241 c HA -0.034 4.535 4.570 -0.002 0.000 0.278 241 c C 3.073 177.318 174.090 0.260 0.000 1.309 241 c CA 1.502 57.998 56.329 0.278 0.000 1.735 241 c CB -1.346 41.281 42.510 0.195 0.000 1.992 241 c HN 0.676 nan 8.230 nan 0.000 0.493 242 T N 0.954 115.627 114.554 0.198 0.000 2.777 242 T HA -0.097 4.252 4.350 -0.002 0.000 0.266 242 T C 2.044 176.856 174.700 0.186 0.000 1.040 242 T CA 1.572 63.762 62.100 0.150 0.000 1.141 242 T CB -0.356 68.576 68.868 0.107 0.000 0.868 242 T HN 0.608 nan 8.240 nan 0.000 0.444 243 A N 0.059 123.035 122.820 0.260 0.000 2.067 243 A HA -0.003 4.316 4.320 -0.002 0.000 0.219 243 A C 2.008 179.844 177.584 0.420 0.000 1.158 243 A CA 0.964 53.192 52.037 0.318 0.000 0.661 243 A CB -0.847 18.363 19.000 0.350 0.000 0.801 243 A HN 0.696 nan 8.150 nan 0.000 0.452 244 Y N 0.104 120.582 120.300 0.297 0.000 2.220 244 Y HA -0.114 4.435 4.550 -0.002 0.000 0.291 244 Y C 1.999 177.892 175.900 -0.011 0.000 1.129 244 Y CA 1.550 59.700 58.100 0.083 0.000 1.161 244 Y CB 0.222 38.825 38.460 0.239 0.000 0.997 244 Y HN 0.103 nan 8.280 nan 0.000 0.522 245 V N -0.209 119.656 119.914 -0.081 0.000 2.951 245 V HA -0.155 3.964 4.120 -0.002 0.000 0.255 245 V C 1.425 177.415 176.094 -0.173 0.000 1.088 245 V CA 1.482 63.613 62.300 -0.281 0.000 1.109 245 V CB -0.444 31.277 31.823 -0.171 0.000 0.724 245 V HN 0.324 nan 8.190 nan 0.000 0.471 246 D N 0.001 120.396 120.400 -0.010 0.000 2.178 246 D HA -0.126 4.513 4.640 -0.002 0.000 0.202 246 D C 1.829 178.176 176.300 0.078 0.000 0.974 246 D CA 1.163 55.181 54.000 0.031 0.000 0.841 246 D CB -0.116 40.736 40.800 0.087 0.000 0.953 246 D HN 0.470 nan 8.370 nan 0.000 0.478 247 F N 0.394 120.280 119.950 -0.107 0.000 2.084 247 F HA -0.182 4.344 4.527 -0.002 0.000 0.296 247 F C 2.317 177.976 175.800 -0.235 0.000 1.111 247 F CA 0.658 58.610 58.000 -0.081 0.000 1.224 247 F CB -0.015 38.950 39.000 -0.058 0.000 0.991 247 F HN -0.161 nan 8.300 nan 0.000 0.471 248 M N 0.604 119.748 119.600 -0.760 0.000 2.146 248 M HA -0.328 4.151 4.480 -0.002 0.000 0.256 248 M C 1.912 177.942 176.300 -0.449 0.000 1.075 248 M CA 1.884 56.444 55.300 -1.233 0.000 1.082 248 M CB -0.601 31.189 32.600 -1.351 0.000 1.355 248 M HN 0.283 nan 8.290 nan 0.000 0.402 249 I N -1.195 119.213 120.570 -0.271 0.000 2.130 249 I HA -0.231 3.938 4.170 -0.002 0.000 0.234 249 I C 2.473 178.565 176.117 -0.040 0.000 1.067 249 I CA 1.048 62.259 61.300 -0.148 0.000 1.339 249 I CB -0.684 37.250 38.000 -0.111 0.000 1.073 249 I HN 0.178 nan 8.210 nan 0.000 0.405 250 S N 0.699 116.420 115.700 0.035 0.000 2.414 250 S HA -0.224 4.245 4.470 -0.002 0.000 0.241 250 S C 1.954 176.608 174.600 0.090 0.000 1.079 250 S CA 1.895 60.147 58.200 0.085 0.000 1.087 250 S CB -0.503 62.811 63.200 0.189 0.000 0.927 250 S HN 0.264 nan 8.310 nan 0.000 0.456 251 V N 1.285 121.276 119.914 0.128 0.000 2.407 251 V HA -0.046 4.073 4.120 -0.002 0.000 0.245 251 V C 2.542 178.826 176.094 0.316 0.000 1.041 251 V CA 1.378 63.808 62.300 0.217 0.000 1.040 251 V CB -1.210 30.731 31.823 0.195 0.000 0.671 251 V HN 0.550 nan 8.190 nan 0.000 0.455 252 A N 0.005 123.001 122.820 0.295 0.000 2.076 252 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 252 A C 2.396 179.989 177.584 0.015 0.000 1.160 252 A CA 2.108 54.191 52.037 0.076 0.000 0.653 252 A CB -0.536 18.242 19.000 -0.370 0.000 0.801 252 A HN 0.503 nan 8.150 nan 0.000 0.455 253 R N -0.451 120.061 120.500 0.019 0.000 2.057 253 R HA 0.071 4.410 4.340 -0.002 0.000 0.224 253 R C 1.989 178.289 176.300 -0.000 0.000 1.136 253 R CA 1.006 57.098 56.100 -0.013 0.000 0.968 253 R CB -0.396 29.889 30.300 -0.025 0.000 0.863 253 R HN 0.481 nan 8.270 nan 0.000 0.433 254 L N 1.060 122.271 121.223 -0.021 0.000 2.021 254 L HA -0.276 4.063 4.340 -0.002 0.000 0.215 254 L C 2.595 179.497 176.870 0.054 0.000 1.074 254 L CA 1.565 56.359 54.840 -0.077 0.000 0.760 254 L CB -0.629 41.219 42.059 -0.352 0.000 0.889 254 L HN 0.294 nan 8.230 nan 0.000 0.433 255 I N -0.430 120.247 120.570 0.178 0.000 2.145 255 I HA -0.365 3.804 4.170 -0.002 0.000 0.244 255 I C 2.885 179.089 176.117 0.146 0.000 1.075 255 I CA 1.667 63.120 61.300 0.255 0.000 1.332 255 I CB -0.404 37.804 38.000 0.346 0.000 1.033 255 I HN 0.326 nan 8.210 nan 0.000 0.410 256 R N 0.292 120.843 120.500 0.084 0.000 2.055 256 R HA -0.141 4.198 4.340 -0.002 0.000 0.228 256 R C 2.255 178.577 176.300 0.036 0.000 1.143 256 R CA 1.100 57.227 56.100 0.045 0.000 0.945 256 R CB -0.570 29.730 30.300 0.002 0.000 0.841 256 R HN 0.417 nan 8.270 nan 0.000 0.429 257 Q N 0.790 120.602 119.800 0.020 0.000 2.146 257 Q HA -0.308 4.031 4.340 -0.002 0.000 0.217 257 Q C 2.049 178.067 176.000 0.029 0.000 1.023 257 Q CA 2.143 57.953 55.803 0.013 0.000 0.903 257 Q CB -0.241 28.494 28.738 -0.005 0.000 0.990 257 Q HN 0.424 nan 8.270 nan 0.000 0.413 258 E N -0.238 119.993 120.200 0.052 0.000 2.204 258 E HA -0.165 4.184 4.350 -0.002 0.000 0.195 258 E C 1.410 178.044 176.600 0.057 0.000 0.990 258 E CA 0.724 57.163 56.400 0.065 0.000 0.821 258 E CB 0.218 29.985 29.700 0.112 0.000 0.750 258 E HN 0.305 nan 8.360 nan 0.000 0.477 259 E N 0.281 120.516 120.200 0.059 0.000 2.502 259 E HA -0.030 4.319 4.350 -0.002 0.000 0.194 259 E C -0.009 176.613 176.600 0.038 0.000 1.062 259 E CA 0.069 56.501 56.400 0.054 0.000 0.867 259 E CB 0.166 29.904 29.700 0.063 0.000 0.888 259 E HN 0.025 nan 8.360 nan 0.000 0.510 260 R N 0.245 120.763 120.500 0.030 0.000 3.188 260 R HA -0.173 4.166 4.340 -0.002 0.000 0.247 260 R C -0.773 175.538 176.300 0.018 0.000 0.918 260 R CA 0.245 56.357 56.100 0.020 0.000 0.629 260 R CB -2.011 28.300 30.300 0.018 0.000 1.087 260 R HN 0.121 nan 8.270 nan 0.000 0.462 261 L N 0.639 121.872 121.223 0.017 0.000 2.286 261 L HA 0.722 5.061 4.340 -0.002 0.000 0.265 261 L C -1.690 175.180 176.870 -0.000 0.000 1.012 261 L CA -2.118 52.728 54.840 0.010 0.000 0.818 261 L CB 1.455 43.522 42.059 0.014 0.000 1.337 261 L HN 0.029 nan 8.230 nan 0.000 0.438 262 P HA 0.252 nan 4.420 nan 0.000 0.285 262 P C -1.269 176.018 177.300 -0.022 0.000 1.259 262 P CA -0.310 62.782 63.100 -0.012 0.000 0.794 262 P CB 1.066 32.760 31.700 -0.011 0.000 0.940 263 I N 3.069 123.624 120.570 -0.025 0.000 2.304 263 I HA 0.217 4.386 4.170 -0.002 0.000 0.291 263 I C 0.514 176.609 176.117 -0.038 0.000 1.018 263 I CA -0.634 60.645 61.300 -0.035 0.000 1.260 263 I CB 0.069 38.049 38.000 -0.033 0.000 1.390 263 I HN 0.261 nan 8.210 nan 0.000 0.475 264 D N 6.127 126.498 120.400 -0.049 0.000 2.479 264 D HA 0.174 4.813 4.640 -0.002 0.000 0.247 264 D C 0.999 177.264 176.300 -0.058 0.000 1.119 264 D CA -0.164 53.807 54.000 -0.048 0.000 0.922 264 D CB 0.936 41.706 40.800 -0.049 0.000 1.014 264 D HN 0.385 nan 8.370 nan 0.000 0.510 265 E N 1.615 121.785 120.200 -0.050 0.000 2.204 265 E HA -0.154 4.195 4.350 -0.002 0.000 0.195 265 E C 1.307 177.872 176.600 -0.058 0.000 0.990 265 E CA 0.435 56.802 56.400 -0.055 0.000 0.821 265 E CB 0.275 29.950 29.700 -0.041 0.000 0.750 265 E HN 0.557 nan 8.360 nan 0.000 0.477 266 N N 0.771 119.441 118.700 -0.050 0.000 2.270 266 N HA -0.169 4.570 4.740 -0.002 0.000 0.181 266 N C 1.875 177.349 175.510 -0.060 0.000 1.016 266 N CA 0.809 53.830 53.050 -0.048 0.000 0.870 266 N CB 0.159 38.624 38.487 -0.037 0.000 0.979 266 N HN 0.101 nan 8.380 nan 0.000 0.431 267 Q N 0.747 120.507 119.800 -0.068 0.000 2.331 267 Q HA 0.103 4.442 4.340 -0.002 0.000 0.203 267 Q C 1.901 177.832 176.000 -0.114 0.000 0.944 267 Q CA 0.554 56.308 55.803 -0.082 0.000 0.892 267 Q CB 0.142 28.834 28.738 -0.078 0.000 0.983 267 Q HN 0.343 nan 8.270 nan 0.000 0.482 268 L N -0.311 120.839 121.223 -0.121 0.000 1.993 268 L HA -0.009 4.330 4.340 -0.002 0.000 0.206 268 L C 2.391 179.174 176.870 -0.145 0.000 1.074 268 L CA 0.899 55.646 54.840 -0.156 0.000 0.746 268 L CB -1.104 40.866 42.059 -0.147 0.000 0.896 268 L HN 0.279 nan 8.230 nan 0.000 0.435 269 A N -0.179 122.576 122.820 -0.109 0.000 2.096 269 A HA -0.289 4.030 4.320 -0.002 0.000 0.225 269 A C 2.224 179.752 177.584 -0.093 0.000 1.192 269 A CA 2.362 54.345 52.037 -0.090 0.000 0.679 269 A CB -0.786 18.177 19.000 -0.062 0.000 0.821 269 A HN 0.427 nan 8.150 nan 0.000 0.484 270 L N -2.101 119.061 121.223 -0.100 0.000 2.187 270 L HA 0.091 4.430 4.340 -0.002 0.000 0.197 270 L C 2.400 179.203 176.870 -0.111 0.000 1.090 270 L CA 1.447 56.234 54.840 -0.088 0.000 0.781 270 L CB -0.294 41.718 42.059 -0.079 0.000 0.956 270 L HN 0.429 nan 8.230 nan 0.000 0.463 271 E N -0.642 119.470 120.200 -0.147 0.000 2.058 271 E HA -0.266 4.082 4.350 -0.002 0.000 0.194 271 E C 2.071 178.557 176.600 -0.190 0.000 0.997 271 E CA 1.676 57.968 56.400 -0.180 0.000 0.801 271 E CB 0.050 29.602 29.700 -0.247 0.000 0.746 271 E HN 0.282 nan 8.360 nan 0.000 0.450 272 M N 0.429 119.897 119.600 -0.220 0.000 2.319 272 M HA -0.068 4.411 4.480 -0.002 0.000 0.265 272 M C 1.657 177.830 176.300 -0.212 0.000 1.068 272 M CA 0.963 56.099 55.300 -0.274 0.000 1.118 272 M CB -0.701 31.702 32.600 -0.329 0.000 1.395 272 M HN 0.085 nan 8.290 nan 0.000 0.435 273 N N 0.179 118.796 118.700 -0.138 0.000 2.376 273 N HA -0.081 4.658 4.740 -0.002 0.000 0.177 273 N C 1.437 176.922 175.510 -0.041 0.000 1.024 273 N CA 0.674 53.677 53.050 -0.079 0.000 0.893 273 N CB 0.248 38.705 38.487 -0.050 0.000 0.980 273 N HN 0.087 nan 8.380 nan 0.000 0.439 274 K N 1.172 121.543 120.400 -0.049 0.000 2.002 274 K HA -0.065 4.254 4.320 -0.002 0.000 0.209 274 K C 1.971 178.557 176.600 -0.023 0.000 1.048 274 K CA 0.467 56.749 56.287 -0.009 0.000 0.930 274 K CB -1.225 31.267 32.500 -0.014 0.000 0.714 274 K HN 0.026 nan 8.250 nan 0.000 0.438 275 V N 0.965 120.834 119.914 -0.076 0.000 2.278 275 V HA -0.334 3.785 4.120 -0.002 0.000 0.251 275 V C 2.195 178.274 176.094 -0.025 0.000 1.062 275 V CA 2.359 64.613 62.300 -0.076 0.000 1.038 275 V CB -0.337 31.414 31.823 -0.121 0.000 0.646 275 V HN 0.341 nan 8.190 nan 0.000 0.447 276 M N 0.268 119.858 119.600 -0.017 0.000 2.065 276 M HA -0.156 4.323 4.480 -0.002 0.000 0.259 276 M C 2.019 178.389 176.300 0.117 0.000 1.069 276 M CA 2.200 57.557 55.300 0.095 0.000 1.110 276 M CB -0.992 31.654 32.600 0.077 0.000 1.328 276 M HN 0.426 nan 8.290 nan 0.000 0.405 277 E N 0.027 120.272 120.200 0.075 0.000 2.118 277 E HA -0.214 4.135 4.350 -0.002 0.000 0.195 277 E C 2.248 178.876 176.600 0.047 0.000 0.992 277 E CA 1.319 57.773 56.400 0.090 0.000 0.804 277 E CB -0.718 29.047 29.700 0.109 0.000 0.741 277 E HN 0.585 nan 8.360 nan 0.000 0.458 278 L N 0.711 121.896 121.223 -0.063 0.000 1.989 278 L HA -0.232 4.107 4.340 -0.002 0.000 0.211 278 L C 2.466 179.247 176.870 -0.148 0.000 1.071 278 L CA 1.634 56.306 54.840 -0.279 0.000 0.749 278 L CB -0.189 41.638 42.059 -0.387 0.000 0.890 278 L HN 0.172 nan 8.230 nan 0.000 0.431 279 E N -0.580 119.589 120.200 -0.053 0.000 2.107 279 E HA -0.206 4.143 4.350 -0.002 0.000 0.191 279 E C 2.137 178.603 176.600 -0.223 0.000 0.982 279 E CA 0.621 56.963 56.400 -0.096 0.000 0.809 279 E CB 0.216 29.942 29.700 0.042 0.000 0.756 279 E HN 0.384 nan 8.360 nan 0.000 0.459 280 K N 0.693 121.062 120.400 -0.052 0.000 2.000 280 K HA -0.246 4.073 4.320 -0.002 0.000 0.218 280 K C 2.085 178.661 176.600 -0.040 0.000 1.053 280 K CA 1.928 58.211 56.287 -0.006 0.000 0.946 280 K CB -0.168 32.413 32.500 0.135 0.000 0.723 280 K HN 0.144 nan 8.250 nan 0.000 0.446 281 E N 0.398 120.600 120.200 0.003 0.000 2.085 281 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 281 E C 2.084 178.688 176.600 0.007 0.000 0.994 281 E CA 1.305 57.721 56.400 0.027 0.000 0.801 281 E CB -0.160 29.588 29.700 0.079 0.000 0.743 281 E HN 0.285 nan 8.360 nan 0.000 0.453 282 I N 0.863 121.416 120.570 -0.028 0.000 2.315 282 I HA -0.262 3.907 4.170 -0.002 0.000 0.248 282 I C 2.464 178.590 176.117 0.016 0.000 1.117 282 I CA 0.871 62.194 61.300 0.039 0.000 1.404 282 I CB -0.233 37.783 38.000 0.027 0.000 1.071 282 I HN 0.086 nan 8.210 nan 0.000 0.419 283 A N 0.559 123.286 122.820 -0.155 0.000 1.883 283 A HA -0.309 4.010 4.320 -0.002 0.000 0.217 283 A C 2.172 179.735 177.584 -0.035 0.000 1.186 283 A CA 2.331 54.250 52.037 -0.196 0.000 0.624 283 A CB -1.102 17.625 19.000 -0.455 0.000 0.822 283 A HN 0.566 nan 8.150 nan 0.000 0.444 284 N N -0.246 118.454 118.700 -0.001 0.000 2.381 284 N HA -0.057 4.682 4.740 -0.002 0.000 0.182 284 N C 1.688 177.236 175.510 0.063 0.000 1.025 284 N CA 0.862 53.934 53.050 0.037 0.000 0.888 284 N CB -0.150 38.362 38.487 0.042 0.000 0.965 284 N HN 0.424 nan 8.380 nan 0.000 0.438 285 A N 0.437 123.313 122.820 0.094 0.000 2.067 285 A HA 0.003 4.322 4.320 -0.002 0.000 0.217 285 A C 1.102 178.831 177.584 0.241 0.000 1.156 285 A CA 0.719 52.844 52.037 0.148 0.000 0.683 285 A CB -0.598 18.482 19.000 0.132 0.000 0.808 285 A HN 0.474 nan 8.150 nan 0.000 0.455 286 T N -1.222 113.437 114.554 0.175 0.000 2.918 286 T HA 0.549 4.898 4.350 -0.002 0.000 0.302 286 T C 0.198 174.931 174.700 0.055 0.000 1.045 286 T CA -0.237 61.909 62.100 0.076 0.000 1.114 286 T CB 1.161 69.998 68.868 -0.051 0.000 0.965 286 T HN 0.691 nan 8.240 nan 0.000 0.540 287 A N 2.983 125.823 122.820 0.034 0.000 2.401 287 A HA 0.390 4.709 4.320 -0.002 0.000 0.259 287 A C 0.680 178.268 177.584 0.007 0.000 1.103 287 A CA -0.752 51.302 52.037 0.029 0.000 0.789 287 A CB -0.005 19.013 19.000 0.030 0.000 1.035 287 A HN 0.910 nan 8.150 nan 0.000 0.491 288 K N 2.135 122.543 120.400 0.013 0.000 2.344 288 K HA 0.068 4.387 4.320 -0.002 0.000 0.260 288 K C -1.611 174.986 176.600 -0.004 0.000 0.988 288 K CA -0.847 55.445 56.287 0.007 0.000 0.909 288 K CB 0.238 32.744 32.500 0.010 0.000 0.968 288 K HN 0.406 nan 8.250 nan 0.000 0.505 289 P HA -0.076 nan 4.420 nan 0.000 0.225 289 P C 0.236 177.524 177.300 -0.019 0.000 1.156 289 P CA 1.051 64.141 63.100 -0.016 0.000 0.787 289 P CB 0.289 31.983 31.700 -0.010 0.000 0.802 290 E N 0.065 120.257 120.200 -0.013 0.000 2.077 290 E HA -0.144 4.205 4.350 -0.002 0.000 0.193 290 E C 1.048 177.637 176.600 -0.018 0.000 0.989 290 E CA 1.216 57.605 56.400 -0.018 0.000 0.800 290 E CB -0.723 28.969 29.700 -0.012 0.000 0.746 290 E HN 0.332 nan 8.360 nan 0.000 0.452 291 D N -0.372 120.021 120.400 -0.011 0.000 2.325 291 D HA 0.046 4.685 4.640 -0.002 0.000 0.225 291 D C 0.716 177.008 176.300 -0.012 0.000 1.096 291 D CA 0.181 54.177 54.000 -0.007 0.000 0.844 291 D CB 0.210 41.014 40.800 0.006 0.000 0.925 291 D HN 0.092 nan 8.370 nan 0.000 0.513 292 R N 0.696 121.180 120.500 -0.026 0.000 2.432 292 R HA 0.071 4.410 4.340 -0.002 0.000 0.260 292 R C 1.012 177.277 176.300 -0.058 0.000 0.935 292 R CA 0.004 56.075 56.100 -0.049 0.000 1.080 292 R CB 0.251 30.511 30.300 -0.066 0.000 1.155 292 R HN 0.020 nan 8.270 nan 0.000 0.531 293 N N -0.170 118.507 118.700 -0.038 0.000 2.187 293 N HA -0.045 4.694 4.740 -0.002 0.000 0.212 293 N C -0.725 174.771 175.510 -0.023 0.000 1.152 293 N CA 0.003 53.035 53.050 -0.031 0.000 0.872 293 N CB 0.523 38.994 38.487 -0.028 0.000 1.025 293 N HN -0.084 nan 8.380 nan 0.000 0.514 294 D N 1.220 121.603 120.400 -0.028 0.000 2.440 294 D HA 0.327 4.966 4.640 -0.002 0.000 0.239 294 D C -2.067 174.222 176.300 -0.020 0.000 1.084 294 D CA -2.160 51.821 54.000 -0.032 0.000 0.843 294 D CB 2.107 42.880 40.800 -0.044 0.000 1.097 294 D HN -0.032 nan 8.370 nan 0.000 0.531 295 P HA 0.001 nan 4.420 nan 0.000 0.252 295 P C 0.973 178.288 177.300 0.024 0.000 1.265 295 P CA 0.229 63.349 63.100 0.034 0.000 0.775 295 P CB 0.206 31.951 31.700 0.075 0.000 1.128 296 M N -1.090 118.495 119.600 -0.025 0.000 2.466 296 M HA 0.102 4.581 4.480 -0.002 0.000 0.265 296 M C 1.955 178.285 176.300 0.051 0.000 1.122 296 M CA 0.915 56.205 55.300 -0.016 0.000 1.157 296 M CB -0.587 31.969 32.600 -0.074 0.000 1.352 296 M HN 0.020 nan 8.290 nan 0.000 0.464 297 L N -0.618 120.629 121.223 0.040 0.000 2.313 297 L HA -0.071 4.268 4.340 -0.002 0.000 0.214 297 L C 2.301 179.232 176.870 0.102 0.000 1.119 297 L CA 0.510 55.385 54.840 0.058 0.000 0.809 297 L CB -0.392 41.685 42.059 0.031 0.000 0.933 297 L HN 0.281 nan 8.230 nan 0.000 0.449 298 L N -0.856 120.439 121.223 0.119 0.000 2.095 298 L HA -0.118 4.221 4.340 -0.002 0.000 0.204 298 L C 0.842 177.904 176.870 0.321 0.000 1.080 298 L CA 0.702 55.634 54.840 0.153 0.000 0.759 298 L CB -0.006 42.059 42.059 0.009 0.000 0.914 298 L HN 0.174 nan 8.230 nan 0.000 0.439 299 Y N 3.052 123.471 120.300 0.198 0.000 2.613 299 Y HA 0.135 4.684 4.550 -0.002 0.000 0.354 299 Y C -0.282 175.675 175.900 0.096 0.000 1.063 299 Y CA -0.604 57.620 58.100 0.205 0.000 1.384 299 Y CB -0.522 38.026 38.460 0.147 0.000 1.199 299 Y HN 0.154 nan 8.280 nan 0.000 0.517 300 N N 6.809 125.529 118.700 0.034 0.000 2.518 300 N HA 0.179 4.918 4.740 -0.002 0.000 0.254 300 N C -1.231 174.187 175.510 -0.153 0.000 0.979 300 N CA -0.874 52.188 53.050 0.021 0.000 0.930 300 N CB 1.798 40.322 38.487 0.062 0.000 1.152 300 N HN 0.469 nan 8.380 nan 0.000 0.505 301 K N 3.264 123.589 120.400 -0.124 0.000 2.172 301 K HA 0.493 4.812 4.320 -0.002 0.000 0.276 301 K C -0.885 175.654 176.600 -0.102 0.000 1.013 301 K CA -0.052 56.118 56.287 -0.195 0.000 0.913 301 K CB 1.061 33.512 32.500 -0.082 0.000 1.055 301 K HN 0.505 nan 8.250 nan 0.000 0.461 302 M N 1.899 121.419 119.600 -0.134 0.000 2.578 302 M HA 0.152 4.631 4.480 -0.002 0.000 0.276 302 M C -0.943 175.297 176.300 -0.100 0.000 1.245 302 M CA -0.886 54.355 55.300 -0.097 0.000 0.871 302 M CB 2.537 35.077 32.600 -0.100 0.000 1.722 302 M HN 0.807 nan 8.290 nan 0.000 0.473 303 T N -0.615 113.896 114.554 -0.072 0.000 2.856 303 T HA 0.420 4.769 4.350 -0.002 0.000 0.292 303 T C 1.172 175.834 174.700 -0.064 0.000 0.980 303 T CA -0.755 61.308 62.100 -0.062 0.000 1.091 303 T CB 0.698 69.543 68.868 -0.039 0.000 0.936 303 T HN 0.662 nan 8.240 nan 0.000 0.503 304 L N 1.773 122.966 121.223 -0.050 0.000 2.256 304 L HA -0.297 4.042 4.340 -0.002 0.000 0.218 304 L C 2.944 179.806 176.870 -0.013 0.000 1.089 304 L CA 1.797 56.627 54.840 -0.016 0.000 0.777 304 L CB -1.190 40.897 42.059 0.047 0.000 0.890 304 L HN 0.990 nan 8.230 nan 0.000 0.439 305 A N 0.176 122.986 122.820 -0.017 0.000 1.844 305 A HA -0.312 4.007 4.320 -0.002 0.000 0.214 305 A C 2.106 179.676 177.584 -0.024 0.000 1.217 305 A CA 2.043 54.074 52.037 -0.010 0.000 0.644 305 A CB -0.825 18.166 19.000 -0.015 0.000 0.850 305 A HN 0.498 nan 8.150 nan 0.000 0.456 306 Q N -0.534 119.243 119.800 -0.038 0.000 2.234 306 Q HA -0.112 4.227 4.340 -0.002 0.000 0.206 306 Q C 1.950 177.911 176.000 -0.064 0.000 0.980 306 Q CA 1.430 57.205 55.803 -0.047 0.000 0.869 306 Q CB -0.434 28.276 28.738 -0.047 0.000 0.912 306 Q HN 0.741 nan 8.270 nan 0.000 0.436 307 I N 0.339 120.855 120.570 -0.090 0.000 2.142 307 I HA -0.309 3.860 4.170 -0.002 0.000 0.240 307 I C 2.521 178.537 176.117 -0.168 0.000 1.078 307 I CA 1.269 62.464 61.300 -0.176 0.000 1.343 307 I CB -0.156 37.653 38.000 -0.320 0.000 1.046 307 I HN 0.214 nan 8.210 nan 0.000 0.405 308 Q N 1.032 120.790 119.800 -0.070 0.000 2.248 308 Q HA -0.262 4.077 4.340 -0.002 0.000 0.208 308 Q C 1.663 177.712 176.000 0.082 0.000 0.984 308 Q CA 2.016 57.883 55.803 0.106 0.000 0.875 308 Q CB -0.320 28.508 28.738 0.150 0.000 0.910 308 Q HN 0.427 nan 8.270 nan 0.000 0.433 309 N N -1.181 117.523 118.700 0.007 0.000 2.251 309 N HA 0.003 4.742 4.740 -0.002 0.000 0.181 309 N C 0.934 176.405 175.510 -0.065 0.000 1.019 309 N CA 1.016 54.058 53.050 -0.014 0.000 0.862 309 N CB 0.140 38.608 38.487 -0.032 0.000 0.992 309 N HN 0.174 nan 8.380 nan 0.000 0.429 310 N N -1.053 117.564 118.700 -0.138 0.000 2.388 310 N HA 0.103 4.842 4.740 -0.002 0.000 0.176 310 N C -0.838 174.350 175.510 -0.537 0.000 1.062 310 N CA 0.425 53.263 53.050 -0.353 0.000 0.895 310 N CB 0.438 38.656 38.487 -0.448 0.000 1.018 310 N HN 0.095 nan 8.380 nan 0.000 0.456 311 F N 0.868 120.793 119.950 -0.043 0.000 2.584 311 F HA 0.292 4.818 4.527 -0.002 0.000 0.328 311 F C 0.287 176.180 175.800 0.154 0.000 1.407 311 F CA -1.155 56.843 58.000 -0.005 0.000 1.145 311 F CB 0.264 39.201 39.000 -0.106 0.000 1.440 311 F HN -0.225 nan 8.300 nan 0.000 0.580 312 S N 1.637 117.510 115.700 0.288 0.000 2.601 312 S HA 0.788 5.257 4.470 -0.002 0.000 0.271 312 S C -0.716 174.068 174.600 0.305 0.000 1.305 312 S CA -0.549 57.862 58.200 0.350 0.000 1.022 312 S CB 1.770 65.095 63.200 0.209 0.000 0.940 312 S HN 0.370 nan 8.310 nan 0.000 0.525 313 L N 1.391 122.792 121.223 0.298 0.000 2.464 313 L HA 0.470 4.809 4.340 -0.002 0.000 0.266 313 L C -1.076 175.875 176.870 0.136 0.000 0.965 313 L CA -0.329 54.598 54.840 0.145 0.000 0.833 313 L CB 2.241 44.281 42.059 -0.033 0.000 1.296 313 L HN 0.809 nan 8.230 nan 0.000 0.405 314 E N 4.113 124.368 120.200 0.091 0.000 2.267 314 E HA 0.424 4.773 4.350 -0.002 0.000 0.241 314 E C -1.069 175.589 176.600 0.096 0.000 0.950 314 E CA -0.325 56.135 56.400 0.098 0.000 0.776 314 E CB 0.213 29.961 29.700 0.080 0.000 1.207 314 E HN 0.347 nan 8.360 nan 0.000 0.436 315 I N 3.439 124.085 120.570 0.126 0.000 2.321 315 I HA 0.325 4.494 4.170 -0.002 0.000 0.291 315 I C 1.168 177.440 176.117 0.258 0.000 0.998 315 I CA -0.228 61.175 61.300 0.173 0.000 1.227 315 I CB 0.960 39.056 38.000 0.160 0.000 1.368 315 I HN 0.601 nan 8.210 nan 0.000 0.466 316 N N 4.510 123.346 118.700 0.227 0.000 2.948 316 N HA -0.169 4.570 4.740 -0.002 0.000 0.239 316 N C 0.699 176.295 175.510 0.143 0.000 0.954 316 N CA 0.450 53.626 53.050 0.210 0.000 0.941 316 N CB -0.465 38.282 38.487 0.435 0.000 1.101 316 N HN 1.234 nan 8.380 nan 0.000 0.579 317 G N 1.386 110.256 108.800 0.117 0.000 2.331 317 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.254 317 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.254 317 G C 0.543 175.511 174.900 0.114 0.000 0.879 317 G CA 0.879 46.038 45.100 0.097 0.000 1.287 317 G HN 0.410 nan 8.290 nan 0.000 0.383 318 K N 1.304 121.777 120.400 0.121 0.000 2.465 318 K HA 0.319 4.638 4.320 -0.002 0.000 0.176 318 K C -1.243 175.401 176.600 0.074 0.000 1.104 318 K CA 0.731 57.074 56.287 0.093 0.000 1.160 318 K CB -0.452 32.101 32.500 0.089 0.000 1.607 318 K HN 0.492 nan 8.250 nan 0.000 0.469 319 P HA 0.233 nan 4.420 nan 0.000 0.317 319 P C -0.810 176.556 177.300 0.110 0.000 1.301 319 P CA -0.645 62.521 63.100 0.110 0.000 0.799 319 P CB 0.540 32.309 31.700 0.116 0.000 1.344 320 F N 0.448 120.374 119.950 -0.041 0.000 2.384 320 F HA 0.455 4.980 4.527 -0.002 0.000 0.338 320 F C 0.276 176.004 175.800 -0.118 0.000 1.103 320 F CA 0.135 58.039 58.000 -0.160 0.000 1.157 320 F CB 0.887 39.712 39.000 -0.292 0.000 1.167 320 F HN 0.170 nan 8.300 nan 0.000 0.529 321 S N 5.838 121.053 115.700 -0.807 0.000 2.594 321 S HA 0.194 4.662 4.470 -0.002 0.000 0.322 321 S C 0.045 174.301 174.600 -0.574 0.000 1.085 321 S CA -0.712 57.223 58.200 -0.441 0.000 1.116 321 S CB 0.077 63.121 63.200 -0.260 0.000 0.979 321 S HN 0.850 nan 8.310 nan 0.000 0.465 322 W N 3.506 124.708 121.300 -0.164 0.000 2.465 322 W HA 0.045 4.704 4.660 -0.002 0.000 0.268 322 W C 1.859 178.396 176.519 0.030 0.000 1.242 322 W CA 0.045 57.443 57.345 0.088 0.000 1.248 322 W CB -0.021 29.580 29.460 0.234 0.000 1.118 322 W HN 0.593 nan 8.180 nan 0.000 0.587 323 L N 0.539 121.844 121.223 0.136 0.000 2.209 323 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 323 L C 1.817 178.671 176.870 -0.026 0.000 1.094 323 L CA 1.646 56.515 54.840 0.050 0.000 0.790 323 L CB -1.610 40.471 42.059 0.037 0.000 0.932 323 L HN 0.102 nan 8.230 nan 0.000 0.447 324 N N -0.596 118.059 118.700 -0.075 0.000 2.005 324 N HA -0.318 4.421 4.740 -0.002 0.000 0.199 324 N C 2.012 177.475 175.510 -0.077 0.000 1.054 324 N CA 2.156 55.143 53.050 -0.105 0.000 0.864 324 N CB -0.342 38.030 38.487 -0.191 0.000 1.063 324 N HN 0.356 nan 8.380 nan 0.000 0.428 325 F N 1.175 120.950 119.950 -0.292 0.000 2.259 325 F HA 0.044 4.570 4.527 -0.002 0.000 0.298 325 F C 2.205 177.958 175.800 -0.078 0.000 1.088 325 F CA 1.014 58.880 58.000 -0.224 0.000 1.358 325 F CB -0.700 38.090 39.000 -0.350 0.000 1.040 325 F HN -0.073 nan 8.300 nan 0.000 0.505 326 T N 0.757 115.053 114.554 -0.430 0.000 2.867 326 T HA -0.144 4.205 4.350 -0.002 0.000 0.268 326 T C 1.740 176.302 174.700 -0.230 0.000 1.057 326 T CA 1.446 63.305 62.100 -0.401 0.000 1.136 326 T CB -0.337 68.427 68.868 -0.173 0.000 0.874 326 T HN 0.370 nan 8.240 nan 0.000 0.466 327 N N 0.805 119.419 118.700 -0.145 0.000 2.251 327 N HA -0.001 4.738 4.740 -0.002 0.000 0.181 327 N C 1.786 177.240 175.510 -0.093 0.000 1.019 327 N CA 0.622 53.612 53.050 -0.099 0.000 0.862 327 N CB -0.024 38.424 38.487 -0.065 0.000 0.992 327 N HN 0.396 nan 8.380 nan 0.000 0.429 328 E N 0.542 120.690 120.200 -0.088 0.000 2.463 328 E HA -0.075 4.274 4.350 -0.002 0.000 0.201 328 E C 1.484 178.044 176.600 -0.067 0.000 1.045 328 E CA 0.339 56.705 56.400 -0.056 0.000 0.872 328 E CB 0.184 29.869 29.700 -0.025 0.000 0.797 328 E HN 0.394 nan 8.360 nan 0.000 0.538 329 I N -0.201 120.289 120.570 -0.133 0.000 2.499 329 I HA -0.154 4.015 4.170 -0.002 0.000 0.243 329 I C 2.244 178.298 176.117 -0.106 0.000 1.085 329 I CA 0.432 61.658 61.300 -0.124 0.000 1.422 329 I CB -0.011 37.877 38.000 -0.187 0.000 1.165 329 I HN 0.041 nan 8.210 nan 0.000 0.440 330 M N 0.128 119.657 119.600 -0.118 0.000 2.394 330 M HA -0.034 4.445 4.480 -0.002 0.000 0.264 330 M C 1.929 178.184 176.300 -0.074 0.000 1.073 330 M CA 0.901 56.143 55.300 -0.096 0.000 1.111 330 M CB -1.065 31.476 32.600 -0.098 0.000 1.401 330 M HN 0.290 nan 8.290 nan 0.000 0.448 331 S N -0.115 115.545 115.700 -0.067 0.000 3.048 331 S HA 0.010 4.479 4.470 -0.002 0.000 0.254 331 S C 1.024 175.595 174.600 -0.048 0.000 1.084 331 S CA 0.333 58.502 58.200 -0.051 0.000 1.195 331 S CB -0.580 62.594 63.200 -0.043 0.000 0.870 331 S HN 0.326 nan 8.310 nan 0.000 0.483 332 T N 0.351 114.871 114.554 -0.057 0.000 3.010 332 T HA 0.224 4.573 4.350 -0.002 0.000 0.257 332 T C 0.488 175.154 174.700 -0.057 0.000 1.020 332 T CA 0.239 62.305 62.100 -0.057 0.000 0.938 332 T CB 0.563 69.389 68.868 -0.069 0.000 1.049 332 T HN 0.396 nan 8.240 nan 0.000 0.522 333 V N 2.806 122.686 119.914 -0.057 0.000 2.759 333 V HA 0.396 4.515 4.120 -0.002 0.000 0.342 333 V C 0.285 176.354 176.094 -0.041 0.000 1.228 333 V CA -0.546 61.725 62.300 -0.048 0.000 1.302 333 V CB -0.854 30.939 31.823 -0.051 0.000 1.496 333 V HN 0.406 nan 8.190 nan 0.000 0.628 334 N N 1.856 120.533 118.700 -0.039 0.000 2.712 334 N HA -0.212 4.527 4.740 -0.002 0.000 0.263 334 N C -0.070 175.420 175.510 -0.034 0.000 0.954 334 N CA 1.024 54.054 53.050 -0.034 0.000 0.812 334 N CB -0.457 38.014 38.487 -0.027 0.000 0.912 334 N HN 0.690 nan 8.380 nan 0.000 0.551 335 I N 0.386 120.932 120.570 -0.041 0.000 2.664 335 I HA 0.161 4.330 4.170 -0.002 0.000 0.308 335 I C 0.278 176.370 176.117 -0.042 0.000 0.984 335 I CA -0.428 60.848 61.300 -0.040 0.000 1.213 335 I CB 1.506 39.480 38.000 -0.044 0.000 1.379 335 I HN 0.021 nan 8.210 nan 0.000 0.501 336 S N 6.357 122.035 115.700 -0.038 0.000 2.502 336 S HA 0.648 5.117 4.470 -0.002 0.000 0.304 336 S C -0.746 173.833 174.600 -0.036 0.000 1.097 336 S CA -0.572 57.608 58.200 -0.034 0.000 1.045 336 S CB 1.743 64.927 63.200 -0.027 0.000 1.019 336 S HN 0.235 nan 8.310 nan 0.000 0.481 337 I N 3.347 123.895 120.570 -0.037 0.000 2.531 337 I HA 0.342 4.511 4.170 -0.002 0.000 0.283 337 I C 0.207 176.308 176.117 -0.028 0.000 1.083 337 I CA -0.397 60.880 61.300 -0.038 0.000 1.071 337 I CB 1.262 39.230 38.000 -0.053 0.000 1.210 337 I HN 0.829 nan 8.210 nan 0.000 0.450 338 T N 0.953 115.493 114.554 -0.022 0.000 2.950 338 T HA 0.365 4.714 4.350 -0.002 0.000 0.288 338 T C 0.782 175.476 174.700 -0.009 0.000 1.035 338 T CA -0.759 61.332 62.100 -0.014 0.000 1.028 338 T CB 1.428 70.288 68.868 -0.014 0.000 1.109 338 T HN 0.454 nan 8.240 nan 0.000 0.514 339 N N 0.524 119.223 118.700 -0.001 0.000 2.617 339 N HA -0.050 4.689 4.740 -0.002 0.000 0.198 339 N C 0.363 175.870 175.510 -0.004 0.000 1.317 339 N CA 0.152 53.206 53.050 0.006 0.000 0.892 339 N CB 0.039 38.534 38.487 0.013 0.000 1.041 339 N HN 0.700 nan 8.380 nan 0.000 0.450 340 E N -1.219 118.973 120.200 -0.012 0.000 2.758 340 E HA 0.144 4.493 4.350 -0.002 0.000 0.215 340 E C -0.496 176.087 176.600 -0.028 0.000 0.985 340 E CA -0.423 55.966 56.400 -0.019 0.000 1.102 340 E CB -0.146 29.544 29.700 -0.016 0.000 1.042 340 E HN 0.015 nan 8.360 nan 0.000 0.480 341 E N 2.165 122.346 120.200 -0.031 0.000 2.652 341 E HA -0.019 4.330 4.350 -0.002 0.000 0.255 341 E C -0.416 176.148 176.600 -0.061 0.000 0.952 341 E CA 0.253 56.626 56.400 -0.046 0.000 0.947 341 E CB 0.127 29.798 29.700 -0.047 0.000 0.912 341 E HN 0.103 nan 8.360 nan 0.000 0.489 342 D N 2.103 122.461 120.400 -0.071 0.000 2.341 342 D HA 0.287 4.926 4.640 -0.002 0.000 0.245 342 D C -0.757 175.455 176.300 -0.147 0.000 1.106 342 D CA -0.068 53.876 54.000 -0.095 0.000 0.905 342 D CB 1.021 41.773 40.800 -0.079 0.000 1.202 342 D HN 0.078 nan 8.370 nan 0.000 0.426 343 V N 2.033 121.831 119.914 -0.193 0.000 2.752 343 V HA 0.113 4.232 4.120 -0.002 0.000 0.302 343 V C -0.278 175.589 176.094 -0.379 0.000 1.133 343 V CA -0.920 61.213 62.300 -0.278 0.000 0.919 343 V CB 2.195 33.888 31.823 -0.216 0.000 1.026 343 V HN 0.243 nan 8.190 nan 0.000 0.429 344 V N 5.403 124.965 119.914 -0.587 0.000 2.455 344 V HA 0.317 4.436 4.120 -0.002 0.000 0.273 344 V C 0.132 175.858 176.094 -0.613 0.000 1.045 344 V CA -0.302 61.558 62.300 -0.733 0.000 0.976 344 V CB 1.497 32.664 31.823 -1.093 0.000 0.993 344 V HN 0.591 nan 8.190 nan 0.000 0.475 345 V N 6.548 126.219 119.914 -0.405 0.000 2.370 345 V HA 0.287 4.406 4.120 -0.002 0.000 0.279 345 V C 0.091 176.135 176.094 -0.082 0.000 1.029 345 V CA -0.250 61.899 62.300 -0.252 0.000 0.870 345 V CB 1.285 32.999 31.823 -0.182 0.000 0.984 345 V HN 0.828 nan 8.190 nan 0.000 0.451 346 Y N 3.289 123.572 120.300 -0.029 0.000 2.478 346 Y HA 0.427 4.976 4.550 -0.002 0.000 0.261 346 Y C 1.501 177.405 175.900 0.007 0.000 1.127 346 Y CA 0.005 58.120 58.100 0.025 0.000 1.288 346 Y CB 0.377 38.899 38.460 0.103 0.000 1.084 346 Y HN 0.639 nan 8.280 nan 0.000 0.530 347 A N -0.601 122.289 122.820 0.116 0.000 2.992 347 A HA 0.400 4.719 4.320 -0.002 0.000 0.263 347 A C -1.866 175.660 177.584 -0.097 0.000 0.928 347 A CA -1.036 51.042 52.037 0.069 0.000 1.061 347 A CB -0.060 19.016 19.000 0.127 0.000 1.173 347 A HN -0.054 nan 8.150 nan 0.000 0.482 348 P HA -0.337 nan 4.420 nan 0.000 0.218 348 P C 1.285 178.310 177.300 -0.459 0.000 1.132 348 P CA 2.453 65.277 63.100 -0.461 0.000 0.968 348 P CB 0.040 31.774 31.700 0.058 0.000 0.783 349 E N -1.737 118.455 120.200 -0.014 0.000 2.160 349 E HA -0.243 4.106 4.350 -0.002 0.000 0.195 349 E C 2.257 178.885 176.600 0.047 0.000 0.991 349 E CA 1.085 57.539 56.400 0.090 0.000 0.810 349 E CB -1.163 28.601 29.700 0.107 0.000 0.742 349 E HN 0.400 nan 8.360 nan 0.000 0.466 350 Y N 2.365 122.619 120.300 -0.076 0.000 2.224 350 Y HA -0.166 4.383 4.550 -0.002 0.000 0.289 350 Y C 1.964 177.828 175.900 -0.060 0.000 1.146 350 Y CA 1.450 59.520 58.100 -0.051 0.000 1.182 350 Y CB 0.007 38.442 38.460 -0.042 0.000 0.983 350 Y HN -0.066 nan 8.280 nan 0.000 0.524 351 L N -1.588 119.443 121.223 -0.320 0.000 2.307 351 L HA -0.038 4.301 4.340 -0.002 0.000 0.211 351 L C 2.226 179.086 176.870 -0.016 0.000 1.099 351 L CA 1.006 55.658 54.840 -0.315 0.000 0.816 351 L CB -1.029 40.818 42.059 -0.353 0.000 0.952 351 L HN 0.002 nan 8.230 nan 0.000 0.455 352 T N 0.090 114.745 114.554 0.168 0.000 2.778 352 T HA -0.230 4.119 4.350 -0.002 0.000 0.269 352 T C 1.934 176.695 174.700 0.102 0.000 1.050 352 T CA 1.818 64.126 62.100 0.346 0.000 1.137 352 T CB -0.104 68.993 68.868 0.382 0.000 0.860 352 T HN 0.123 nan 8.240 nan 0.000 0.468 353 K N -0.155 120.233 120.400 -0.021 0.000 2.334 353 K HA 0.296 4.615 4.320 -0.002 0.000 0.195 353 K C 1.723 178.266 176.600 -0.093 0.000 1.045 353 K CA 0.192 56.456 56.287 -0.039 0.000 1.004 353 K CB -0.155 32.325 32.500 -0.032 0.000 0.837 353 K HN 0.125 nan 8.250 nan 0.000 0.510 354 L N 1.185 122.288 121.223 -0.201 0.000 2.162 354 L HA 0.051 4.390 4.340 -0.002 0.000 0.205 354 L C 2.118 178.939 176.870 -0.081 0.000 1.086 354 L CA 1.422 56.130 54.840 -0.219 0.000 0.778 354 L CB -0.423 41.384 42.059 -0.420 0.000 0.928 354 L HN 0.134 nan 8.230 nan 0.000 0.446 355 K N 0.422 120.799 120.400 -0.038 0.000 2.032 355 K HA -0.219 4.100 4.320 -0.002 0.000 0.218 355 K C -0.712 175.899 176.600 0.020 0.000 1.054 355 K CA 2.326 58.620 56.287 0.012 0.000 0.941 355 K CB -1.469 31.061 32.500 0.049 0.000 0.720 355 K HN 0.243 nan 8.250 nan 0.000 0.449 356 P HA -0.158 nan 4.420 nan 0.000 0.218 356 P C 1.527 178.849 177.300 0.037 0.000 1.148 356 P CA 1.490 64.603 63.100 0.022 0.000 0.822 356 P CB -0.052 31.659 31.700 0.020 0.000 0.784 357 I N -1.059 119.543 120.570 0.054 0.000 2.188 357 I HA -0.155 4.014 4.170 -0.002 0.000 0.237 357 I C 2.185 178.445 176.117 0.237 0.000 1.073 357 I CA 0.925 62.312 61.300 0.145 0.000 1.359 357 I CB -0.949 37.110 38.000 0.099 0.000 1.083 357 I HN -0.219 nan 8.210 nan 0.000 0.412 358 L N 0.674 121.983 121.223 0.143 0.000 2.265 358 L HA -0.153 4.186 4.340 -0.002 0.000 0.215 358 L C 2.598 179.551 176.870 0.139 0.000 1.117 358 L CA 1.789 56.727 54.840 0.164 0.000 0.782 358 L CB -1.810 40.270 42.059 0.036 0.000 0.914 358 L HN 0.384 nan 8.230 nan 0.000 0.441 359 T N -0.997 113.603 114.554 0.077 0.000 2.737 359 T HA -0.244 4.105 4.350 -0.002 0.000 0.269 359 T C 1.392 176.084 174.700 -0.012 0.000 1.040 359 T CA 1.516 63.636 62.100 0.033 0.000 1.142 359 T CB -0.403 68.473 68.868 0.014 0.000 0.861 359 T HN 0.516 nan 8.240 nan 0.000 0.456 360 K N 0.101 120.450 120.400 -0.085 0.000 2.397 360 K HA 0.225 4.544 4.320 -0.002 0.000 0.202 360 K C -0.764 175.551 176.600 -0.476 0.000 1.022 360 K CA -0.306 55.807 56.287 -0.290 0.000 1.141 360 K CB 0.162 32.419 32.500 -0.405 0.000 0.857 360 K HN 0.371 nan 8.250 nan 0.000 0.514 361 Y N 1.742 122.028 120.300 -0.023 0.000 2.429 361 Y HA 0.157 4.706 4.550 -0.002 0.000 0.342 361 Y C 0.688 176.550 175.900 -0.063 0.000 1.004 361 Y CA -1.059 57.015 58.100 -0.043 0.000 1.075 361 Y CB 1.749 40.183 38.460 -0.042 0.000 1.214 361 Y HN 0.047 nan 8.280 nan 0.000 0.455 362 S N 0.911 116.643 115.700 0.053 0.000 2.584 362 S HA 0.297 4.766 4.470 -0.002 0.000 0.270 362 S C 1.331 175.823 174.600 -0.179 0.000 1.346 362 S CA -0.232 57.938 58.200 -0.050 0.000 1.018 362 S CB 1.222 64.385 63.200 -0.063 0.000 0.899 362 S HN 0.931 nan 8.310 nan 0.000 0.542 363 A N 1.974 124.602 122.820 -0.319 0.000 1.958 363 A HA -0.196 4.123 4.320 -0.002 0.000 0.221 363 A C 2.310 179.461 177.584 -0.723 0.000 1.178 363 A CA 1.826 53.349 52.037 -0.857 0.000 0.642 363 A CB -0.816 17.706 19.000 -0.796 0.000 0.816 363 A HN 0.906 nan 8.150 nan 0.000 0.453 364 R N -0.657 119.591 120.500 -0.420 0.000 2.075 364 R HA -0.112 4.227 4.340 -0.002 0.000 0.226 364 R C 1.336 177.363 176.300 -0.454 0.000 1.114 364 R CA 1.389 57.107 56.100 -0.637 0.000 0.972 364 R CB -0.492 29.564 30.300 -0.405 0.000 0.869 364 R HN 0.413 nan 8.270 nan 0.000 0.437 365 D N 1.136 121.392 120.400 -0.240 0.000 2.191 365 D HA -0.228 4.411 4.640 -0.002 0.000 0.190 365 D C 1.927 178.133 176.300 -0.158 0.000 1.007 365 D CA 1.579 55.508 54.000 -0.119 0.000 0.865 365 D CB -0.160 40.694 40.800 0.090 0.000 0.929 365 D HN 0.280 nan 8.370 nan 0.000 0.447 366 L N -0.394 120.726 121.223 -0.172 0.000 2.249 366 L HA -0.054 4.285 4.340 -0.002 0.000 0.207 366 L C 2.301 179.158 176.870 -0.021 0.000 1.090 366 L CA 0.463 55.252 54.840 -0.085 0.000 0.802 366 L CB -0.092 41.972 42.059 0.008 0.000 0.947 366 L HN -0.095 nan 8.230 nan 0.000 0.453 367 Q N 0.180 119.917 119.800 -0.105 0.000 2.311 367 Q HA -0.104 4.235 4.340 -0.002 0.000 0.203 367 Q C 1.749 177.786 176.000 0.062 0.000 0.954 367 Q CA 1.339 57.156 55.803 0.023 0.000 0.885 367 Q CB -0.135 28.587 28.738 -0.026 0.000 0.963 367 Q HN 0.456 nan 8.270 nan 0.000 0.471 368 N N -0.986 117.687 118.700 -0.046 0.000 2.142 368 N HA -0.141 4.598 4.740 -0.002 0.000 0.186 368 N C 1.192 176.907 175.510 0.341 0.000 1.023 368 N CA 0.682 53.817 53.050 0.141 0.000 0.852 368 N CB 0.012 38.429 38.487 -0.117 0.000 0.998 368 N HN 0.180 nan 8.380 nan 0.000 0.424 369 L N 1.405 122.735 121.223 0.178 0.000 1.988 369 L HA -0.075 4.264 4.340 -0.002 0.000 0.207 369 L C 1.983 178.993 176.870 0.234 0.000 1.071 369 L CA 1.702 56.685 54.840 0.238 0.000 0.744 369 L CB -0.931 41.188 42.059 0.100 0.000 0.893 369 L HN 0.253 nan 8.230 nan 0.000 0.433 370 M N -2.169 117.524 119.600 0.155 0.000 2.132 370 M HA -0.136 4.343 4.480 -0.002 0.000 0.263 370 M C 2.362 178.718 176.300 0.093 0.000 1.065 370 M CA 1.697 57.067 55.300 0.117 0.000 1.122 370 M CB -0.721 31.958 32.600 0.131 0.000 1.365 370 M HN 0.113 nan 8.290 nan 0.000 0.411 371 S N 0.069 115.845 115.700 0.126 0.000 2.402 371 S HA -0.103 4.366 4.470 -0.002 0.000 0.229 371 S C 1.413 175.857 174.600 -0.259 0.000 1.021 371 S CA 0.839 59.047 58.200 0.014 0.000 0.974 371 S CB -0.289 62.984 63.200 0.123 0.000 0.800 371 S HN 0.743 nan 8.310 nan 0.000 0.484 372 W N 1.413 122.515 121.300 -0.331 0.000 3.077 372 W HA 0.108 4.767 4.660 -0.002 0.000 0.245 372 W C 1.127 177.504 176.519 -0.237 0.000 1.316 372 W CA -0.010 57.052 57.345 -0.472 0.000 1.537 372 W CB -0.076 29.338 29.460 -0.076 0.000 1.131 372 W HN 0.191 nan 8.180 nan 0.000 0.695 373 R N -0.514 119.690 120.500 -0.494 0.000 2.206 373 R HA -0.044 4.295 4.340 -0.002 0.000 0.198 373 R C 1.869 178.009 176.300 -0.266 0.000 0.986 373 R CA 0.329 56.137 56.100 -0.487 0.000 1.029 373 R CB -1.175 29.036 30.300 -0.148 0.000 0.966 373 R HN 0.130 nan 8.270 nan 0.000 0.487 374 F N 1.569 121.311 119.950 -0.347 0.000 2.186 374 F HA -0.015 4.511 4.527 -0.002 0.000 0.299 374 F C 1.944 177.516 175.800 -0.379 0.000 1.090 374 F CA 0.863 58.682 58.000 -0.302 0.000 1.307 374 F CB -0.271 38.573 39.000 -0.259 0.000 1.019 374 F HN -0.162 nan 8.300 nan 0.000 0.489 375 I N -1.030 119.228 120.570 -0.520 0.000 2.584 375 I HA -0.257 3.911 4.170 -0.002 0.000 0.255 375 I C 2.512 178.285 176.117 -0.573 0.000 1.145 375 I CA 0.430 61.349 61.300 -0.635 0.000 1.462 375 I CB -0.315 37.257 38.000 -0.714 0.000 1.102 375 I HN 0.118 nan 8.210 nan 0.000 0.433 376 M N 0.942 120.059 119.600 -0.804 0.000 2.894 376 M HA -0.386 4.093 4.480 -0.002 0.000 0.268 376 M C 1.790 177.929 176.300 -0.268 0.000 1.054 376 M CA 2.507 57.377 55.300 -0.717 0.000 1.062 376 M CB -0.362 31.756 32.600 -0.804 0.000 1.242 376 M HN 0.235 nan 8.290 nan 0.000 0.508 377 D N -0.061 120.204 120.400 -0.225 0.000 2.144 377 D HA -0.127 4.512 4.640 -0.002 0.000 0.199 377 D C 1.986 178.208 176.300 -0.129 0.000 0.984 377 D CA 1.316 55.261 54.000 -0.093 0.000 0.834 377 D CB -0.530 40.252 40.800 -0.030 0.000 0.955 377 D HN 0.434 nan 8.370 nan 0.000 0.465 378 L N 0.548 121.601 121.223 -0.284 0.000 2.201 378 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 378 L C 2.505 179.313 176.870 -0.104 0.000 1.105 378 L CA 0.271 54.936 54.840 -0.291 0.000 0.775 378 L CB -0.117 41.656 42.059 -0.477 0.000 0.913 378 L HN -0.077 nan 8.230 nan 0.000 0.440 379 V N -0.388 119.483 119.914 -0.071 0.000 2.469 379 V HA -0.277 3.842 4.120 -0.002 0.000 0.251 379 V C 2.488 178.647 176.094 0.109 0.000 1.064 379 V CA 2.141 64.466 62.300 0.042 0.000 1.066 379 V CB -0.100 31.831 31.823 0.181 0.000 0.667 379 V HN 0.710 nan 8.190 nan 0.000 0.461 380 S N -1.859 113.898 115.700 0.095 0.000 2.607 380 S HA 0.011 4.480 4.470 -0.002 0.000 0.224 380 S C 1.563 176.215 174.600 0.088 0.000 0.969 380 S CA 0.929 59.185 58.200 0.095 0.000 0.927 380 S CB 0.020 63.264 63.200 0.073 0.000 0.772 380 S HN 0.481 nan 8.310 nan 0.000 0.533 381 S N 1.056 116.813 115.700 0.094 0.000 2.660 381 S HA 0.466 4.935 4.470 -0.002 0.000 0.227 381 S C 0.290 175.029 174.600 0.231 0.000 0.948 381 S CA -0.320 57.990 58.200 0.183 0.000 0.948 381 S CB -0.328 62.895 63.200 0.039 0.000 0.779 381 S HN 0.461 nan 8.310 nan 0.000 0.487 382 L N -0.400 120.900 121.223 0.129 0.000 2.348 382 L HA 0.523 4.862 4.340 -0.002 0.000 0.258 382 L C 0.427 177.361 176.870 0.106 0.000 1.208 382 L CA -1.120 53.761 54.840 0.068 0.000 1.241 382 L CB 0.343 42.325 42.059 -0.128 0.000 1.742 382 L HN 0.014 nan 8.230 nan 0.000 0.544 383 S N -0.647 115.143 115.700 0.149 0.000 2.600 383 S HA 0.151 4.620 4.470 -0.002 0.000 0.265 383 S C 0.765 175.455 174.600 0.150 0.000 1.325 383 S CA -0.461 57.825 58.200 0.145 0.000 1.002 383 S CB 1.194 64.491 63.200 0.161 0.000 0.921 383 S HN 0.517 nan 8.310 nan 0.000 0.554 384 R N 1.321 121.875 120.500 0.089 0.000 2.133 384 R HA -0.139 4.199 4.340 -0.002 0.000 0.245 384 R C 2.286 178.638 176.300 0.087 0.000 1.137 384 R CA 2.617 58.759 56.100 0.069 0.000 0.947 384 R CB -2.057 28.266 30.300 0.038 0.000 0.865 384 R HN 0.936 nan 8.270 nan 0.000 0.437 385 T N -0.884 113.715 114.554 0.075 0.000 2.759 385 T HA -0.177 4.172 4.350 -0.002 0.000 0.269 385 T C 1.794 176.477 174.700 -0.027 0.000 1.042 385 T CA 1.716 63.818 62.100 0.003 0.000 1.140 385 T CB -0.499 68.341 68.868 -0.047 0.000 0.864 385 T HN 0.259 nan 8.240 nan 0.000 0.455 386 Y N 1.588 121.930 120.300 0.070 0.000 2.220 386 Y HA 0.050 4.599 4.550 -0.002 0.000 0.291 386 Y C 2.594 178.574 175.900 0.133 0.000 1.129 386 Y CA 0.796 58.959 58.100 0.106 0.000 1.161 386 Y CB -0.180 38.332 38.460 0.088 0.000 0.997 386 Y HN 0.114 nan 8.280 nan 0.000 0.522 387 K N 0.254 120.802 120.400 0.247 0.000 1.991 387 K HA -0.275 4.044 4.320 -0.002 0.000 0.212 387 K C 2.055 178.729 176.600 0.123 0.000 1.049 387 K CA 1.720 58.109 56.287 0.170 0.000 0.932 387 K CB -0.373 32.189 32.500 0.102 0.000 0.717 387 K HN 0.300 nan 8.250 nan 0.000 0.441 388 E N 1.261 121.512 120.200 0.084 0.000 2.245 388 E HA -0.337 4.012 4.350 -0.002 0.000 0.217 388 E C 1.677 178.312 176.600 0.059 0.000 1.069 388 E CA 2.316 58.746 56.400 0.051 0.000 0.877 388 E CB -0.214 29.505 29.700 0.032 0.000 0.757 388 E HN 0.369 nan 8.360 nan 0.000 0.464 389 S N -0.029 115.750 115.700 0.131 0.000 2.484 389 S HA -0.214 4.255 4.470 -0.002 0.000 0.250 389 S C 1.883 176.484 174.600 0.001 0.000 0.995 389 S CA 1.565 59.889 58.200 0.207 0.000 0.967 389 S CB -0.285 63.195 63.200 0.467 0.000 0.752 389 S HN 0.409 nan 8.310 nan 0.000 0.517 390 R N 0.015 120.420 120.500 -0.159 0.000 2.549 390 R HA 0.272 4.611 4.340 -0.002 0.000 0.344 390 R C 0.939 177.106 176.300 -0.221 0.000 0.979 390 R CA -0.200 55.558 56.100 -0.570 0.000 1.140 390 R CB 0.054 30.191 30.300 -0.273 0.000 1.377 390 R HN 0.195 nan 8.270 nan 0.000 0.541 391 N N 1.626 120.267 118.700 -0.097 0.000 2.006 391 N HA -0.173 4.566 4.740 -0.002 0.000 0.196 391 N C 1.622 177.124 175.510 -0.013 0.000 1.057 391 N CA 2.129 55.159 53.050 -0.033 0.000 0.853 391 N CB -0.325 38.156 38.487 -0.011 0.000 1.051 391 N HN 0.304 nan 8.380 nan 0.000 0.423 392 A N 0.436 123.257 122.820 0.002 0.000 2.024 392 A HA -0.129 4.190 4.320 -0.002 0.000 0.220 392 A C 2.068 179.704 177.584 0.088 0.000 1.164 392 A CA 0.938 53.003 52.037 0.047 0.000 0.643 392 A CB -0.893 18.147 19.000 0.067 0.000 0.806 392 A HN 0.400 nan 8.150 nan 0.000 0.451 393 F N 0.990 120.885 119.950 -0.092 0.000 2.259 393 F HA -0.118 4.408 4.527 -0.002 0.000 0.298 393 F C 2.381 178.186 175.800 0.009 0.000 1.088 393 F CA 1.480 59.457 58.000 -0.038 0.000 1.358 393 F CB 0.063 38.985 39.000 -0.130 0.000 1.040 393 F HN 0.329 nan 8.300 nan 0.000 0.505 394 R N 0.269 120.745 120.500 -0.039 0.000 2.173 394 R HA 0.011 4.350 4.340 -0.002 0.000 0.208 394 R C 2.075 178.412 176.300 0.062 0.000 1.035 394 R CA 1.041 57.168 56.100 0.045 0.000 1.004 394 R CB -0.656 29.743 30.300 0.165 0.000 0.917 394 R HN 0.145 nan 8.270 nan 0.000 0.462 395 K N 0.832 121.245 120.400 0.022 0.000 2.097 395 K HA -0.025 4.294 4.320 -0.002 0.000 0.205 395 K C 1.973 178.569 176.600 -0.007 0.000 1.050 395 K CA 1.325 57.625 56.287 0.021 0.000 0.938 395 K CB -0.177 32.334 32.500 0.019 0.000 0.718 395 K HN 0.312 nan 8.250 nan 0.000 0.442 396 A N 0.980 123.777 122.820 -0.038 0.000 1.969 396 A HA -0.087 4.232 4.320 -0.002 0.000 0.218 396 A C 1.978 179.498 177.584 -0.107 0.000 1.169 396 A CA 1.106 53.118 52.037 -0.041 0.000 0.635 396 A CB -0.279 18.727 19.000 0.009 0.000 0.810 396 A HN 0.285 nan 8.150 nan 0.000 0.445 397 L N -3.392 117.656 121.223 -0.292 0.000 2.298 397 L HA 0.067 4.406 4.340 -0.002 0.000 0.209 397 L C 1.690 178.273 176.870 -0.478 0.000 1.084 397 L CA 0.879 55.406 54.840 -0.523 0.000 0.816 397 L CB -0.024 41.398 42.059 -1.062 0.000 0.967 397 L HN 0.477 nan 8.230 nan 0.000 0.460 398 Y N -1.171 119.124 120.300 -0.008 0.000 2.448 398 Y HA 0.336 4.885 4.550 -0.002 0.000 0.257 398 Y C 1.680 177.591 175.900 0.017 0.000 1.089 398 Y CA 0.171 58.275 58.100 0.006 0.000 1.245 398 Y CB 0.688 39.088 38.460 -0.100 0.000 1.282 398 Y HN 0.113 nan 8.280 nan 0.000 0.529 399 G N 0.939 109.814 108.800 0.125 0.000 2.179 399 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.260 399 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.260 399 G C 0.335 175.269 174.900 0.057 0.000 0.977 399 G CA 0.455 45.603 45.100 0.081 0.000 0.641 399 G HN 0.406 nan 8.290 nan 0.000 0.533 400 T N -1.389 113.201 114.554 0.060 0.000 2.913 400 T HA 0.581 4.930 4.350 -0.002 0.000 0.287 400 T C 1.309 176.013 174.700 0.006 0.000 1.008 400 T CA 0.719 62.829 62.100 0.016 0.000 1.067 400 T CB 1.716 70.577 68.868 -0.011 0.000 0.996 400 T HN 0.843 nan 8.240 nan 0.000 0.513 401 T N -2.068 112.480 114.554 -0.011 0.000 3.023 401 T HA 0.363 4.712 4.350 -0.002 0.000 0.253 401 T C 0.591 175.279 174.700 -0.020 0.000 1.038 401 T CA -0.268 61.825 62.100 -0.011 0.000 0.962 401 T CB 0.170 69.031 68.868 -0.013 0.000 1.018 401 T HN 0.634 nan 8.240 nan 0.000 0.521 402 S N 0.181 115.861 115.700 -0.032 0.000 2.579 402 S HA 0.566 5.035 4.470 -0.002 0.000 0.272 402 S C -1.718 172.848 174.600 -0.057 0.000 1.141 402 S CA -0.613 57.563 58.200 -0.041 0.000 0.843 402 S CB 2.165 65.337 63.200 -0.047 0.000 1.122 402 S HN 0.315 nan 8.310 nan 0.000 0.468 403 E N 0.897 121.061 120.200 -0.061 0.000 2.349 403 E HA 0.427 4.776 4.350 -0.002 0.000 0.262 403 E C 0.067 176.603 176.600 -0.107 0.000 1.088 403 E CA -0.034 56.315 56.400 -0.085 0.000 0.899 403 E CB 1.214 30.869 29.700 -0.076 0.000 1.044 403 E HN 0.565 nan 8.360 nan 0.000 0.420 404 T N 1.709 116.181 114.554 -0.137 0.000 2.903 404 T HA 0.350 4.699 4.350 -0.002 0.000 0.314 404 T C -0.010 174.560 174.700 -0.217 0.000 1.078 404 T CA -0.025 61.967 62.100 -0.180 0.000 1.114 404 T CB 0.078 68.828 68.868 -0.197 0.000 0.987 404 T HN 0.596 nan 8.240 nan 0.000 0.548 405 A N 4.176 126.814 122.820 -0.305 0.000 2.587 405 A HA 0.179 4.498 4.320 -0.002 0.000 0.235 405 A C 1.722 179.075 177.584 -0.385 0.000 1.044 405 A CA 0.523 52.329 52.037 -0.385 0.000 0.754 405 A CB -0.448 18.146 19.000 -0.676 0.000 0.968 405 A HN 1.047 nan 8.150 nan 0.000 0.509 406 T N 2.887 117.312 114.554 -0.216 0.000 2.720 406 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 406 T C 1.660 176.315 174.700 -0.075 0.000 1.037 406 T CA 2.000 64.019 62.100 -0.137 0.000 1.144 406 T CB -0.303 68.515 68.868 -0.084 0.000 0.864 406 T HN 0.942 nan 8.240 nan 0.000 0.444 407 W N 2.048 123.339 121.300 -0.015 0.000 2.374 407 W HA -0.062 4.596 4.660 -0.002 0.000 0.288 407 W C 1.869 178.451 176.519 0.105 0.000 1.218 407 W CA 0.421 57.808 57.345 0.070 0.000 1.245 407 W CB -0.885 28.648 29.460 0.122 0.000 1.126 407 W HN 0.212 nan 8.180 nan 0.000 0.545 408 R N 0.861 121.078 120.500 -0.473 0.000 2.064 408 R HA -0.083 4.256 4.340 -0.002 0.000 0.228 408 R C 2.575 178.801 176.300 -0.123 0.000 1.144 408 R CA 1.947 57.792 56.100 -0.425 0.000 0.932 408 R CB -0.551 29.316 30.300 -0.722 0.000 0.833 408 R HN 0.001 nan 8.270 nan 0.000 0.429 409 R N -0.506 119.910 120.500 -0.140 0.000 2.185 409 R HA -0.174 4.165 4.340 -0.002 0.000 0.247 409 R C 2.179 178.503 176.300 0.040 0.000 1.159 409 R CA 1.451 57.517 56.100 -0.056 0.000 0.988 409 R CB -0.286 29.968 30.300 -0.077 0.000 0.871 409 R HN 0.321 nan 8.270 nan 0.000 0.458 410 c N -1.625 117.015 118.600 0.067 0.000 2.568 410 c HA 0.241 4.810 4.570 -0.002 0.000 0.284 410 c C 2.736 177.001 174.090 0.291 0.000 1.338 410 c CA 0.285 56.687 56.329 0.123 0.000 1.724 410 c CB -0.636 41.887 42.510 0.022 0.000 2.131 410 c HN 0.620 nan 8.230 nan 0.000 0.513 411 A N 1.762 124.805 122.820 0.372 0.000 1.909 411 A HA -0.300 4.019 4.320 -0.002 0.000 0.221 411 A C 1.776 179.463 177.584 0.172 0.000 1.223 411 A CA 2.607 54.805 52.037 0.269 0.000 0.658 411 A CB -0.863 18.287 19.000 0.250 0.000 0.831 411 A HN 0.711 nan 8.150 nan 0.000 0.462 412 N N -2.086 116.697 118.700 0.139 0.000 2.309 412 N HA -0.138 4.601 4.740 -0.002 0.000 0.182 412 N C 1.533 177.113 175.510 0.116 0.000 1.018 412 N CA 1.569 54.674 53.050 0.091 0.000 0.876 412 N CB -0.513 38.008 38.487 0.058 0.000 0.972 412 N HN 0.749 nan 8.380 nan 0.000 0.434 413 Y N 1.637 121.968 120.300 0.053 0.000 2.242 413 Y HA -0.145 4.404 4.550 -0.002 0.000 0.291 413 Y C 2.290 178.218 175.900 0.046 0.000 1.137 413 Y CA 1.155 59.287 58.100 0.055 0.000 1.181 413 Y CB -0.116 38.395 38.460 0.086 0.000 0.989 413 Y HN -0.067 nan 8.280 nan 0.000 0.527 414 V N -0.670 119.324 119.914 0.132 0.000 2.535 414 V HA -0.128 3.991 4.120 -0.002 0.000 0.246 414 V C 2.136 178.196 176.094 -0.056 0.000 1.045 414 V CA 2.055 64.362 62.300 0.012 0.000 1.058 414 V CB -0.957 30.924 31.823 0.096 0.000 0.689 414 V HN 0.459 nan 8.190 nan 0.000 0.461 415 N N 2.264 120.955 118.700 -0.014 0.000 2.132 415 N HA -0.126 4.613 4.740 -0.002 0.000 0.191 415 N C 1.782 177.262 175.510 -0.051 0.000 1.015 415 N CA 2.347 55.378 53.050 -0.032 0.000 0.864 415 N CB -0.882 37.591 38.487 -0.023 0.000 1.006 415 N HN 0.637 nan 8.380 nan 0.000 0.430 416 G N -0.952 107.797 108.800 -0.085 0.000 2.551 416 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.216 416 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.216 416 G C 1.453 176.276 174.900 -0.128 0.000 1.137 416 G CA 0.128 45.167 45.100 -0.101 0.000 0.798 416 G HN 0.341 nan 8.290 nan 0.000 0.536 417 N N -0.317 118.261 118.700 -0.202 0.000 2.322 417 N HA 0.199 4.938 4.740 -0.002 0.000 0.181 417 N C 0.609 176.117 175.510 -0.003 0.000 1.088 417 N CA 0.216 53.163 53.050 -0.171 0.000 0.885 417 N CB 0.468 38.706 38.487 -0.415 0.000 1.013 417 N HN 0.233 nan 8.380 nan 0.000 0.472 418 M N 0.745 120.335 119.600 -0.016 0.000 4.125 418 M HA 0.132 4.611 4.480 -0.002 0.000 0.476 418 M C 0.028 176.365 176.300 0.062 0.000 1.980 418 M CA 0.081 55.377 55.300 -0.007 0.000 0.547 418 M CB 0.848 33.287 32.600 -0.270 0.000 1.434 418 M HN -0.031 nan 8.290 nan 0.000 0.548 419 E N -0.227 120.037 120.200 0.107 0.000 2.153 419 E HA -0.130 4.219 4.350 -0.002 0.000 0.194 419 E C 1.374 178.011 176.600 0.061 0.000 0.988 419 E CA 0.989 57.419 56.400 0.050 0.000 0.811 419 E CB 0.058 29.777 29.700 0.032 0.000 0.746 419 E HN 0.478 nan 8.360 nan 0.000 0.466 420 N N 0.916 119.703 118.700 0.144 0.000 2.173 420 N HA -0.019 4.720 4.740 -0.002 0.000 0.184 420 N C 1.840 177.418 175.510 0.113 0.000 1.025 420 N CA 1.315 54.425 53.050 0.099 0.000 0.852 420 N CB -0.187 38.362 38.487 0.104 0.000 0.998 420 N HN 0.218 nan 8.380 nan 0.000 0.427 421 A N 0.667 123.605 122.820 0.197 0.000 1.969 421 A HA -0.039 4.280 4.320 -0.002 0.000 0.218 421 A C 2.347 179.933 177.584 0.003 0.000 1.169 421 A CA 1.139 53.229 52.037 0.088 0.000 0.635 421 A CB -0.416 18.537 19.000 -0.079 0.000 0.810 421 A HN 0.125 nan 8.150 nan 0.000 0.445 422 V N -0.357 119.552 119.914 -0.009 0.000 2.535 422 V HA -0.029 4.090 4.120 -0.002 0.000 0.246 422 V C 2.772 178.868 176.094 0.003 0.000 1.045 422 V CA 1.220 63.510 62.300 -0.017 0.000 1.058 422 V CB -1.699 30.107 31.823 -0.029 0.000 0.689 422 V HN 0.521 nan 8.190 nan 0.000 0.461 423 G N 0.376 109.175 108.800 -0.001 0.000 2.574 423 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.220 423 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.220 423 G C 1.721 176.613 174.900 -0.013 0.000 1.173 423 G CA 1.450 46.544 45.100 -0.011 0.000 0.772 423 G HN 0.416 nan 8.290 nan 0.000 0.585 424 R N -0.240 120.246 120.500 -0.024 0.000 2.094 424 R HA -0.042 4.297 4.340 -0.002 0.000 0.239 424 R C 2.755 179.021 176.300 -0.058 0.000 1.137 424 R CA 1.622 57.689 56.100 -0.055 0.000 0.943 424 R CB -0.413 29.879 30.300 -0.013 0.000 0.850 424 R HN 0.438 nan 8.270 nan 0.000 0.433 425 L N -0.993 120.220 121.223 -0.016 0.000 2.083 425 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 425 L C 2.366 179.241 176.870 0.009 0.000 1.083 425 L CA 1.210 56.042 54.840 -0.013 0.000 0.752 425 L CB -0.636 41.417 42.059 -0.010 0.000 0.899 425 L HN 0.256 nan 8.230 nan 0.000 0.433 426 Y N 0.844 121.096 120.300 -0.080 0.000 2.224 426 Y HA -0.216 4.333 4.550 -0.002 0.000 0.289 426 Y C 2.366 178.236 175.900 -0.050 0.000 1.146 426 Y CA 1.720 59.784 58.100 -0.060 0.000 1.182 426 Y CB -0.247 38.178 38.460 -0.059 0.000 0.983 426 Y HN 0.012 nan 8.280 nan 0.000 0.524 427 V N -1.219 118.624 119.914 -0.119 0.000 2.323 427 V HA -0.216 3.903 4.120 -0.002 0.000 0.244 427 V C 2.065 178.059 176.094 -0.168 0.000 1.041 427 V CA 1.989 64.181 62.300 -0.179 0.000 1.025 427 V CB -1.120 30.449 31.823 -0.423 0.000 0.656 427 V HN 0.308 nan 8.190 nan 0.000 0.451 428 E N 1.117 121.224 120.200 -0.154 0.000 2.070 428 E HA -0.242 4.107 4.350 -0.002 0.000 0.197 428 E C 2.343 178.873 176.600 -0.117 0.000 1.004 428 E CA 1.674 58.007 56.400 -0.112 0.000 0.805 428 E CB -0.421 29.230 29.700 -0.081 0.000 0.744 428 E HN 0.669 nan 8.360 nan 0.000 0.451 429 A N 0.303 123.039 122.820 -0.141 0.000 1.933 429 A HA -0.015 4.304 4.320 -0.002 0.000 0.218 429 A C 2.039 179.522 177.584 -0.168 0.000 1.175 429 A CA 1.981 53.935 52.037 -0.138 0.000 0.628 429 A CB -0.070 18.852 19.000 -0.129 0.000 0.814 429 A HN 0.319 nan 8.150 nan 0.000 0.444 430 A N -3.368 119.306 122.820 -0.243 0.000 2.010 430 A HA 0.572 4.891 4.320 -0.002 0.000 0.193 430 A C 0.094 177.581 177.584 -0.161 0.000 1.659 430 A CA 0.257 52.093 52.037 -0.336 0.000 1.175 430 A CB 0.364 18.834 19.000 -0.883 0.000 1.301 430 A HN 0.708 nan 8.150 nan 0.000 0.448 431 F N -1.053 118.734 119.950 -0.271 0.000 2.569 431 F HA 0.621 5.147 4.527 -0.002 0.000 0.312 431 F C 0.607 176.385 175.800 -0.037 0.000 1.109 431 F CA -0.183 57.745 58.000 -0.120 0.000 0.919 431 F CB 1.940 40.889 39.000 -0.086 0.000 1.211 431 F HN 0.028 nan 8.300 nan 0.000 0.446 432 A N 3.078 125.345 122.820 -0.922 0.000 2.014 432 A HA 0.516 4.835 4.320 -0.002 0.000 0.210 432 A C 1.652 178.933 177.584 -0.505 0.000 1.188 432 A CA 0.909 52.653 52.037 -0.488 0.000 0.731 432 A CB -0.639 18.195 19.000 -0.277 0.000 0.858 432 A HN 1.922 nan 8.150 nan 0.000 0.464 433 G N -1.138 107.157 108.800 -0.842 0.000 2.339 433 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.209 433 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.209 433 G C 1.011 175.654 174.900 -0.428 0.000 1.015 433 G CA 0.567 45.383 45.100 -0.472 0.000 0.635 433 G HN 0.322 nan 8.290 nan 0.000 0.499 434 E N 0.982 120.995 120.200 -0.310 0.000 2.122 434 E HA 0.034 4.383 4.350 -0.002 0.000 0.190 434 E C 2.495 178.877 176.600 -0.363 0.000 0.977 434 E CA 0.958 57.192 56.400 -0.277 0.000 0.820 434 E CB -0.135 29.636 29.700 0.118 0.000 0.770 434 E HN 0.467 nan 8.360 nan 0.000 0.462 435 S N 1.440 117.050 115.700 -0.149 0.000 2.337 435 S HA -0.367 4.102 4.470 -0.002 0.000 0.399 435 S C 1.707 176.231 174.600 -0.126 0.000 1.134 435 S CA 2.389 60.595 58.200 0.009 0.000 2.090 435 S CB -0.814 62.372 63.200 -0.022 0.000 1.665 435 S HN 0.294 nan 8.310 nan 0.000 0.502 436 K N 0.738 120.988 120.400 -0.250 0.000 2.242 436 K HA -0.254 4.065 4.320 -0.002 0.000 0.206 436 K C 1.831 178.364 176.600 -0.112 0.000 1.045 436 K CA 2.118 58.329 56.287 -0.126 0.000 0.930 436 K CB -0.209 32.230 32.500 -0.101 0.000 0.726 436 K HN 0.750 nan 8.250 nan 0.000 0.462 437 H N -1.954 117.153 119.070 0.062 0.000 2.451 437 H HA 0.025 4.580 4.556 -0.002 0.000 0.294 437 H C 2.042 177.389 175.328 0.032 0.000 1.028 437 H CA 0.425 56.497 56.048 0.041 0.000 1.349 437 H CB 0.198 29.983 29.762 0.038 0.000 1.444 437 H HN -0.097 nan 8.280 nan 0.000 0.538 438 V N 0.737 120.717 119.914 0.110 0.000 2.407 438 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 438 V C 2.310 178.401 176.094 -0.005 0.000 1.055 438 V CA 1.174 63.515 62.300 0.069 0.000 1.049 438 V CB -0.264 31.610 31.823 0.084 0.000 0.662 438 V HN 0.257 nan 8.190 nan 0.000 0.455 439 V N 0.749 120.626 119.914 -0.062 0.000 2.233 439 V HA -0.316 3.803 4.120 -0.002 0.000 0.247 439 V C 2.465 178.501 176.094 -0.096 0.000 1.050 439 V CA 2.568 64.771 62.300 -0.161 0.000 1.010 439 V CB -0.697 30.976 31.823 -0.250 0.000 0.637 439 V HN 0.786 nan 8.190 nan 0.000 0.444 440 E N 1.028 121.214 120.200 -0.023 0.000 2.086 440 E HA -0.314 4.035 4.350 -0.002 0.000 0.200 440 E C 1.888 178.496 176.600 0.013 0.000 1.012 440 E CA 1.778 58.185 56.400 0.011 0.000 0.812 440 E CB -0.665 29.070 29.700 0.059 0.000 0.743 440 E HN 0.855 nan 8.360 nan 0.000 0.453 441 D N 2.043 122.459 120.400 0.028 0.000 2.084 441 D HA -0.219 4.420 4.640 -0.002 0.000 0.194 441 D C 2.181 178.497 176.300 0.027 0.000 0.990 441 D CA 1.082 55.107 54.000 0.041 0.000 0.826 441 D CB -0.466 40.371 40.800 0.061 0.000 0.971 441 D HN 0.291 nan 8.370 nan 0.000 0.453 442 L N -0.011 121.199 121.223 -0.022 0.000 2.064 442 L HA -0.242 4.097 4.340 -0.002 0.000 0.216 442 L C 2.845 179.693 176.870 -0.037 0.000 1.077 442 L CA 1.161 55.957 54.840 -0.074 0.000 0.766 442 L CB -0.349 41.594 42.059 -0.193 0.000 0.890 442 L HN 0.102 nan 8.230 nan 0.000 0.435 443 I N -0.993 119.548 120.570 -0.049 0.000 2.233 443 I HA -0.211 3.958 4.170 -0.002 0.000 0.243 443 I C 2.679 178.821 176.117 0.042 0.000 1.093 443 I CA 1.055 62.343 61.300 -0.020 0.000 1.380 443 I CB -0.478 37.508 38.000 -0.023 0.000 1.067 443 I HN 0.175 nan 8.210 nan 0.000 0.413 444 A N 0.360 123.207 122.820 0.045 0.000 1.873 444 A HA -0.389 3.930 4.320 -0.002 0.000 0.219 444 A C 2.243 179.879 177.584 0.086 0.000 1.269 444 A CA 2.438 54.513 52.037 0.064 0.000 0.671 444 A CB -1.114 17.924 19.000 0.062 0.000 0.842 444 A HN 0.496 nan 8.150 nan 0.000 0.460 445 Q N -1.409 118.451 119.800 0.100 0.000 2.082 445 Q HA -0.245 4.094 4.340 -0.002 0.000 0.211 445 Q C 2.097 178.186 176.000 0.149 0.000 1.002 445 Q CA 2.014 57.901 55.803 0.140 0.000 0.868 445 Q CB -0.353 28.503 28.738 0.198 0.000 0.931 445 Q HN 0.695 nan 8.270 nan 0.000 0.414 446 I N -0.056 120.601 120.570 0.144 0.000 2.546 446 I HA -0.192 3.977 4.170 -0.002 0.000 0.255 446 I C 2.365 178.588 176.117 0.176 0.000 1.163 446 I CA 0.741 62.144 61.300 0.172 0.000 1.457 446 I CB -0.120 37.977 38.000 0.161 0.000 1.092 446 I HN 0.098 nan 8.210 nan 0.000 0.434 447 R N 0.216 120.799 120.500 0.138 0.000 2.103 447 R HA -0.233 4.105 4.340 -0.002 0.000 0.234 447 R C 2.309 178.725 176.300 0.193 0.000 1.132 447 R CA 1.925 58.110 56.100 0.141 0.000 0.925 447 R CB -0.430 29.928 30.300 0.097 0.000 0.842 447 R HN 0.315 nan 8.270 nan 0.000 0.430 448 E N 0.150 120.435 120.200 0.142 0.000 2.049 448 E HA -0.194 4.155 4.350 -0.002 0.000 0.198 448 E C 1.972 178.647 176.600 0.124 0.000 1.007 448 E CA 1.729 58.200 56.400 0.118 0.000 0.809 448 E CB -0.105 29.647 29.700 0.087 0.000 0.749 448 E HN 0.146 nan 8.360 nan 0.000 0.450 449 V N 1.056 121.052 119.914 0.136 0.000 2.568 449 V HA -0.241 3.878 4.120 -0.002 0.000 0.253 449 V C 2.137 178.301 176.094 0.116 0.000 1.072 449 V CA 1.785 64.153 62.300 0.114 0.000 1.084 449 V CB -0.656 31.247 31.823 0.133 0.000 0.676 449 V HN 0.255 nan 8.190 nan 0.000 0.469 450 F N 0.248 120.216 119.950 0.031 0.000 2.206 450 F HA -0.109 4.417 4.527 -0.002 0.000 0.298 450 F C 2.131 177.910 175.800 -0.035 0.000 1.090 450 F CA 1.376 59.368 58.000 -0.014 0.000 1.323 450 F CB -0.031 38.937 39.000 -0.054 0.000 1.028 450 F HN 0.010 nan 8.300 nan 0.000 0.492 451 I N 0.462 121.098 120.570 0.111 0.000 2.113 451 I HA -0.319 3.850 4.170 -0.002 0.000 0.238 451 I C 2.373 178.442 176.117 -0.079 0.000 1.070 451 I CA 1.424 62.727 61.300 0.006 0.000 1.332 451 I CB -1.637 36.419 38.000 0.093 0.000 1.044 451 I HN 0.295 nan 8.210 nan 0.000 0.402 452 Q N 0.049 119.833 119.800 -0.027 0.000 2.191 452 Q HA -0.330 4.009 4.340 -0.002 0.000 0.219 452 Q C 2.056 178.009 176.000 -0.078 0.000 1.044 452 Q CA 3.323 59.105 55.803 -0.035 0.000 0.933 452 Q CB -0.241 28.492 28.738 -0.008 0.000 1.049 452 Q HN 0.491 nan 8.270 nan 0.000 0.424 453 T N -0.095 114.376 114.554 -0.139 0.000 3.040 453 T HA 0.016 4.365 4.350 -0.002 0.000 0.252 453 T C 1.633 176.251 174.700 -0.136 0.000 1.064 453 T CA 0.601 62.632 62.100 -0.115 0.000 1.110 453 T CB 0.123 68.925 68.868 -0.111 0.000 0.921 453 T HN 0.192 nan 8.240 nan 0.000 0.480 454 L N 1.611 122.708 121.223 -0.209 0.000 2.079 454 L HA -0.024 4.315 4.340 -0.002 0.000 0.210 454 L C 1.834 178.611 176.870 -0.154 0.000 1.081 454 L CA 1.442 56.173 54.840 -0.182 0.000 0.752 454 L CB -1.444 40.500 42.059 -0.191 0.000 0.896 454 L HN 0.029 nan 8.230 nan 0.000 0.433 455 D N 0.354 120.682 120.400 -0.120 0.000 2.172 455 D HA -0.213 4.426 4.640 -0.002 0.000 0.196 455 D C 1.718 177.966 176.300 -0.087 0.000 0.999 455 D CA 1.661 55.606 54.000 -0.092 0.000 0.856 455 D CB -0.378 40.382 40.800 -0.066 0.000 0.934 455 D HN 0.464 nan 8.370 nan 0.000 0.453 456 D N -0.428 119.925 120.400 -0.079 0.000 2.348 456 D HA 0.067 4.705 4.640 -0.002 0.000 0.211 456 D C 0.288 176.551 176.300 -0.061 0.000 0.998 456 D CA -0.003 53.965 54.000 -0.053 0.000 0.873 456 D CB 0.325 41.108 40.800 -0.029 0.000 0.925 456 D HN 0.176 nan 8.370 nan 0.000 0.524 457 L N 0.396 121.549 121.223 -0.116 0.000 2.305 457 L HA 0.158 4.497 4.340 -0.002 0.000 0.281 457 L C 1.706 178.445 176.870 -0.218 0.000 1.085 457 L CA 0.021 54.759 54.840 -0.169 0.000 0.813 457 L CB 1.669 43.531 42.059 -0.329 0.000 1.157 457 L HN -0.219 nan 8.230 nan 0.000 0.436 458 T N 0.934 115.428 114.554 -0.100 0.000 3.069 458 T HA -0.002 4.346 4.350 -0.002 0.000 0.252 458 T C 1.031 175.733 174.700 0.004 0.000 1.053 458 T CA -0.096 61.978 62.100 -0.044 0.000 0.964 458 T CB -0.014 68.865 68.868 0.019 0.000 1.005 458 T HN 0.745 nan 8.240 nan 0.000 0.532 459 W N 0.073 121.337 121.300 -0.059 0.000 3.211 459 W HA 0.488 5.147 4.660 -0.001 0.000 0.292 459 W C -0.065 176.447 176.519 -0.012 0.000 1.268 459 W CA -0.841 56.477 57.345 -0.046 0.000 1.702 459 W CB -0.294 29.118 29.460 -0.081 0.000 1.092 459 W HN 0.190 nan 8.180 nan 0.000 0.643 460 M N 2.665 122.036 119.600 -0.382 0.000 2.654 460 M HA 0.180 4.659 4.480 -0.002 0.000 0.310 460 M C -0.465 175.733 176.300 -0.170 0.000 1.211 460 M CA -0.340 54.745 55.300 -0.360 0.000 0.947 460 M CB 1.724 33.925 32.600 -0.665 0.000 1.647 460 M HN -0.062 nan 8.290 nan 0.000 0.481 461 D N 0.655 120.987 120.400 -0.113 0.000 2.326 461 D HA 0.551 5.190 4.640 -0.002 0.000 0.251 461 D C -0.152 176.090 176.300 -0.096 0.000 1.023 461 D CA -0.713 53.244 54.000 -0.071 0.000 0.966 461 D CB 1.167 41.954 40.800 -0.022 0.000 1.156 461 D HN 0.553 nan 8.370 nan 0.000 0.494 462 A N 0.178 122.957 122.820 -0.067 0.000 2.238 462 A HA -0.036 4.283 4.320 -0.002 0.000 0.210 462 A C 1.668 179.222 177.584 -0.050 0.000 1.179 462 A CA 0.184 52.179 52.037 -0.069 0.000 0.827 462 A CB -0.649 18.318 19.000 -0.055 0.000 0.856 462 A HN 0.646 nan 8.150 nan 0.000 0.488 463 E N 0.160 120.340 120.200 -0.034 0.000 2.031 463 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 463 E C 1.534 178.121 176.600 -0.023 0.000 0.994 463 E CA 1.879 58.269 56.400 -0.016 0.000 0.800 463 E CB -1.150 28.552 29.700 0.004 0.000 0.752 463 E HN 0.361 nan 8.360 nan 0.000 0.447 464 T N 1.892 116.411 114.554 -0.059 0.000 2.777 464 T HA -0.068 4.281 4.350 -0.002 0.000 0.266 464 T C 1.715 176.354 174.700 -0.101 0.000 1.040 464 T CA 1.291 63.325 62.100 -0.111 0.000 1.141 464 T CB -0.034 68.659 68.868 -0.293 0.000 0.868 464 T HN 0.125 nan 8.240 nan 0.000 0.444 465 K N 1.620 121.940 120.400 -0.134 0.000 2.127 465 K HA -0.128 4.191 4.320 -0.002 0.000 0.208 465 K C 2.116 178.684 176.600 -0.053 0.000 1.047 465 K CA 1.223 57.439 56.287 -0.118 0.000 0.927 465 K CB -0.258 32.162 32.500 -0.134 0.000 0.716 465 K HN 0.289 nan 8.250 nan 0.000 0.450 466 K N 0.864 121.237 120.400 -0.046 0.000 2.211 466 K HA 0.034 4.352 4.320 -0.002 0.000 0.201 466 K C 2.248 178.817 176.600 -0.052 0.000 1.052 466 K CA 0.242 56.505 56.287 -0.039 0.000 0.973 466 K CB 0.248 32.727 32.500 -0.035 0.000 0.766 466 K HN 0.031 nan 8.250 nan 0.000 0.466 467 R N 0.391 120.856 120.500 -0.059 0.000 2.061 467 R HA -0.085 4.254 4.340 -0.002 0.000 0.230 467 R C 2.313 178.434 176.300 -0.298 0.000 1.140 467 R CA 1.318 57.317 56.100 -0.169 0.000 0.940 467 R CB -0.418 29.797 30.300 -0.141 0.000 0.839 467 R HN 0.166 nan 8.270 nan 0.000 0.429 468 A N 1.476 124.147 122.820 -0.247 0.000 1.916 468 A HA -0.400 3.919 4.320 -0.002 0.000 0.224 468 A C 1.976 179.605 177.584 0.075 0.000 1.366 468 A CA 2.434 54.457 52.037 -0.024 0.000 0.692 468 A CB -1.055 18.125 19.000 0.301 0.000 0.841 468 A HN 0.597 nan 8.150 nan 0.000 0.480 469 E N -0.568 119.661 120.200 0.049 0.000 2.136 469 E HA -0.322 4.027 4.350 -0.002 0.000 0.208 469 E C 1.907 178.515 176.600 0.015 0.000 1.035 469 E CA 2.047 58.483 56.400 0.060 0.000 0.838 469 E CB -0.291 29.415 29.700 0.010 0.000 0.748 469 E HN 0.761 nan 8.360 nan 0.000 0.459 470 E N -0.040 120.108 120.200 -0.087 0.000 2.097 470 E HA -0.253 4.096 4.350 -0.002 0.000 0.196 470 E C 2.024 178.556 176.600 -0.114 0.000 1.000 470 E CA 1.624 57.949 56.400 -0.124 0.000 0.804 470 E CB 0.006 29.584 29.700 -0.203 0.000 0.740 470 E HN 0.160 nan 8.360 nan 0.000 0.454 471 K N -0.157 120.156 120.400 -0.146 0.000 2.001 471 K HA -0.127 4.192 4.320 -0.002 0.000 0.208 471 K C 1.615 178.221 176.600 0.009 0.000 1.048 471 K CA 0.816 57.044 56.287 -0.099 0.000 0.932 471 K CB -0.206 32.193 32.500 -0.168 0.000 0.715 471 K HN 0.169 nan 8.250 nan 0.000 0.437 472 A N 1.147 124.042 122.820 0.125 0.000 2.670 472 A HA -0.323 3.996 4.320 -0.002 0.000 0.276 472 A C 1.553 179.162 177.584 0.042 0.000 1.338 472 A CA 2.760 54.862 52.037 0.109 0.000 1.103 472 A CB -1.563 17.527 19.000 0.151 0.000 0.491 472 A HN 0.285 nan 8.150 nan 0.000 0.413 473 L N -0.557 120.690 121.223 0.040 0.000 2.456 473 L HA 0.222 4.561 4.340 -0.002 0.000 0.224 473 L C 2.644 179.518 176.870 0.007 0.000 1.148 473 L CA 1.804 56.660 54.840 0.027 0.000 0.825 473 L CB -1.253 40.821 42.059 0.024 0.000 0.937 473 L HN 0.592 nan 8.230 nan 0.000 0.450 474 A N -0.552 122.264 122.820 -0.007 0.000 2.123 474 A HA 0.192 4.511 4.320 -0.002 0.000 0.214 474 A C 1.199 178.771 177.584 -0.020 0.000 1.152 474 A CA -0.103 51.920 52.037 -0.023 0.000 0.728 474 A CB -0.525 18.448 19.000 -0.045 0.000 0.814 474 A HN 0.274 nan 8.150 nan 0.000 0.464 475 I N 1.626 122.192 120.570 -0.006 0.000 2.668 475 I HA -0.028 4.141 4.170 -0.002 0.000 0.285 475 I C 0.259 176.375 176.117 -0.001 0.000 1.168 475 I CA 0.582 61.887 61.300 0.009 0.000 1.424 475 I CB 0.589 38.604 38.000 0.025 0.000 1.377 475 I HN 0.109 nan 8.210 nan 0.000 0.560 476 K N 7.466 127.851 120.400 -0.025 0.000 2.138 476 K HA 0.343 4.662 4.320 -0.002 0.000 0.263 476 K C -0.288 176.280 176.600 -0.053 0.000 0.965 476 K CA -0.641 55.619 56.287 -0.046 0.000 0.868 476 K CB 1.666 34.116 32.500 -0.083 0.000 1.083 476 K HN 0.584 nan 8.250 nan 0.000 0.443 477 E N 3.137 123.314 120.200 -0.039 0.000 2.221 477 E HA 0.418 4.767 4.350 -0.002 0.000 0.268 477 E C -0.687 175.853 176.600 -0.100 0.000 0.933 477 E CA -0.966 55.429 56.400 -0.007 0.000 0.809 477 E CB 1.730 31.476 29.700 0.077 0.000 1.190 477 E HN 0.300 nan 8.360 nan 0.000 0.406 478 R N 2.386 122.804 120.500 -0.137 0.000 2.575 478 R HA 0.571 4.910 4.340 -0.002 0.000 0.293 478 R C -0.549 175.749 176.300 -0.003 0.000 0.983 478 R CA -0.702 55.207 56.100 -0.318 0.000 0.887 478 R CB 1.279 30.989 30.300 -0.984 0.000 1.184 478 R HN 0.610 nan 8.270 nan 0.000 0.445 479 I N 0.707 121.387 120.570 0.183 0.000 2.499 479 I HA 0.419 4.588 4.170 -0.002 0.000 0.288 479 I C 1.001 177.316 176.117 0.330 0.000 1.048 479 I CA -0.486 60.961 61.300 0.245 0.000 1.062 479 I CB 2.079 40.165 38.000 0.144 0.000 1.238 479 I HN 0.825 nan 8.210 nan 0.000 0.426 480 G N 5.864 114.814 108.800 0.250 0.000 4.026 480 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.309 480 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.309 480 G C -0.402 174.676 174.900 0.297 0.000 1.411 480 G CA 0.881 46.087 45.100 0.178 0.000 1.037 480 G HN 1.100 nan 8.290 nan 0.000 0.687 481 Y N -2.455 117.847 120.300 0.003 0.000 2.565 481 Y HA 0.643 5.192 4.550 -0.002 0.000 0.330 481 Y C -2.950 172.652 175.900 -0.498 0.000 1.150 481 Y CA -2.212 55.608 58.100 -0.466 0.000 1.055 481 Y CB 0.453 38.784 38.460 -0.216 0.000 1.337 481 Y HN 0.361 nan 8.280 nan 0.000 0.457 482 P HA -0.070 nan 4.420 nan 0.000 0.255 482 P C 0.478 177.665 177.300 -0.189 0.000 1.161 482 P CA 0.748 63.587 63.100 -0.436 0.000 0.768 482 P CB 0.596 31.998 31.700 -0.495 0.000 0.746 483 D N 2.528 122.798 120.400 -0.217 0.000 2.239 483 D HA -0.217 4.422 4.640 -0.002 0.000 0.202 483 D C 1.325 177.658 176.300 0.056 0.000 0.993 483 D CA 1.162 55.137 54.000 -0.041 0.000 0.874 483 D CB 0.025 40.807 40.800 -0.029 0.000 0.922 483 D HN 0.434 nan 8.370 nan 0.000 0.464 484 D N 0.678 121.085 120.400 0.011 0.000 2.472 484 D HA -0.222 4.417 4.640 -0.002 0.000 0.194 484 D C 2.072 178.400 176.300 0.047 0.000 1.023 484 D CA 1.492 55.502 54.000 0.016 0.000 0.869 484 D CB -0.406 40.380 40.800 -0.024 0.000 0.997 484 D HN 0.455 nan 8.370 nan 0.000 0.463 485 I N -2.003 118.606 120.570 0.065 0.000 3.111 485 I HA -0.041 4.128 4.170 -0.002 0.000 0.272 485 I C 1.808 177.968 176.117 0.072 0.000 1.268 485 I CA 0.238 61.570 61.300 0.054 0.000 1.467 485 I CB -0.006 38.009 38.000 0.025 0.000 1.087 485 I HN -0.125 nan 8.210 nan 0.000 0.467 486 V N 0.524 120.510 119.914 0.121 0.000 2.725 486 V HA -0.095 4.024 4.120 -0.002 0.000 0.247 486 V C 2.729 178.866 176.094 0.072 0.000 1.058 486 V CA 1.556 63.911 62.300 0.092 0.000 1.080 486 V CB -0.281 31.625 31.823 0.139 0.000 0.713 486 V HN 0.656 nan 8.190 nan 0.000 0.465 487 S N 0.733 116.477 115.700 0.074 0.000 2.388 487 S HA -0.030 4.439 4.470 -0.002 0.000 0.223 487 S C 1.194 175.819 174.600 0.041 0.000 1.034 487 S CA 1.005 59.239 58.200 0.056 0.000 0.963 487 S CB -0.237 62.995 63.200 0.053 0.000 0.827 487 S HN 0.552 nan 8.310 nan 0.000 0.481 488 N N 1.108 119.830 118.700 0.038 0.000 2.851 488 N HA 0.256 4.995 4.740 -0.002 0.000 0.248 488 N C -0.722 174.804 175.510 0.027 0.000 1.221 488 N CA -0.216 52.851 53.050 0.028 0.000 0.847 488 N CB 0.988 39.489 38.487 0.023 0.000 1.150 488 N HN 0.110 nan 8.380 nan 0.000 0.507 489 D N 1.686 122.103 120.400 0.028 0.000 2.104 489 D HA -0.162 4.477 4.640 -0.002 0.000 0.194 489 D C 1.200 177.517 176.300 0.029 0.000 0.994 489 D CA 1.424 55.443 54.000 0.032 0.000 0.830 489 D CB 0.007 40.824 40.800 0.028 0.000 0.959 489 D HN 0.589 nan 8.370 nan 0.000 0.452 490 N N 0.581 119.293 118.700 0.021 0.000 2.011 490 N HA -0.206 4.533 4.740 -0.002 0.000 0.199 490 N C 1.689 177.204 175.510 0.008 0.000 1.047 490 N CA 1.416 54.475 53.050 0.015 0.000 0.863 490 N CB -0.070 38.423 38.487 0.011 0.000 1.056 490 N HN 0.100 nan 8.380 nan 0.000 0.427 491 K N 0.778 121.179 120.400 0.001 0.000 2.059 491 K HA -0.196 4.123 4.320 -0.002 0.000 0.212 491 K C 1.985 178.566 176.600 -0.032 0.000 1.050 491 K CA 1.159 57.436 56.287 -0.016 0.000 0.927 491 K CB -0.270 32.223 32.500 -0.013 0.000 0.714 491 K HN 0.164 nan 8.250 nan 0.000 0.447 492 L N 1.260 122.482 121.223 -0.001 0.000 1.955 492 L HA -0.268 4.071 4.340 -0.002 0.000 0.213 492 L C 1.895 178.800 176.870 0.058 0.000 1.072 492 L CA 1.834 56.690 54.840 0.026 0.000 0.755 492 L CB -0.820 41.290 42.059 0.084 0.000 0.888 492 L HN 0.421 nan 8.230 nan 0.000 0.432 493 N N 0.461 119.210 118.700 0.082 0.000 2.184 493 N HA -0.235 4.504 4.740 -0.002 0.000 0.190 493 N C 1.416 176.954 175.510 0.048 0.000 1.011 493 N CA 1.397 54.502 53.050 0.092 0.000 0.867 493 N CB -0.544 37.976 38.487 0.056 0.000 0.993 493 N HN 0.436 nan 8.380 nan 0.000 0.433 494 N N 1.206 119.905 118.700 -0.001 0.000 2.270 494 N HA -0.120 4.619 4.740 -0.002 0.000 0.181 494 N C 1.586 177.062 175.510 -0.056 0.000 1.016 494 N CA 0.505 53.544 53.050 -0.019 0.000 0.870 494 N CB -0.084 38.392 38.487 -0.018 0.000 0.979 494 N HN 0.569 nan 8.380 nan 0.000 0.431 495 E N -0.818 119.279 120.200 -0.171 0.000 2.435 495 E HA -0.103 4.246 4.350 -0.002 0.000 0.195 495 E C 0.420 176.841 176.600 -0.298 0.000 1.029 495 E CA 0.583 56.826 56.400 -0.262 0.000 0.865 495 E CB 0.057 29.505 29.700 -0.419 0.000 0.833 495 E HN 0.328 nan 8.360 nan 0.000 0.510 496 Y N -0.066 120.250 120.300 0.026 0.000 2.449 496 Y HA 0.225 4.774 4.550 -0.002 0.000 0.254 496 Y C 1.776 177.616 175.900 -0.101 0.000 1.140 496 Y CA -0.304 57.750 58.100 -0.077 0.000 1.272 496 Y CB 0.096 38.503 38.460 -0.089 0.000 1.114 496 Y HN 0.021 nan 8.280 nan 0.000 0.525 497 L N 0.401 121.659 121.223 0.059 0.000 2.129 497 L HA -0.253 4.086 4.340 -0.002 0.000 0.212 497 L C 2.193 179.063 176.870 0.001 0.000 1.087 497 L CA 1.717 56.571 54.840 0.022 0.000 0.757 497 L CB -0.021 42.051 42.059 0.021 0.000 0.896 497 L HN 0.196 nan 8.230 nan 0.000 0.434 498 E N -0.223 119.997 120.200 0.034 0.000 2.516 498 E HA -0.070 4.279 4.350 -0.002 0.000 0.199 498 E C 0.291 176.849 176.600 -0.070 0.000 1.069 498 E CA 0.179 56.596 56.400 0.028 0.000 0.876 498 E CB 0.020 29.796 29.700 0.127 0.000 0.843 498 E HN 0.378 nan 8.360 nan 0.000 0.530 499 L N 1.436 122.558 121.223 -0.168 0.000 2.292 499 L HA 0.368 4.707 4.340 -0.002 0.000 0.284 499 L C -0.208 176.413 176.870 -0.415 0.000 1.065 499 L CA -0.442 54.161 54.840 -0.394 0.000 0.806 499 L CB 1.099 42.822 42.059 -0.560 0.000 1.175 499 L HN 0.100 nan 8.230 nan 0.000 0.431 500 N N 2.532 120.952 118.700 -0.467 0.000 2.425 500 N HA 0.299 5.038 4.740 -0.002 0.000 0.289 500 N C -1.859 173.495 175.510 -0.259 0.000 1.074 500 N CA -0.496 52.339 53.050 -0.358 0.000 0.905 500 N CB 2.032 40.435 38.487 -0.140 0.000 1.586 500 N HN 0.265 nan 8.380 nan 0.000 0.490 501 Y N 1.573 121.873 120.300 -0.000 0.000 2.352 501 Y HA 0.371 4.920 4.550 -0.002 0.000 0.339 501 Y C 0.127 176.040 175.900 0.022 0.000 0.992 501 Y CA -0.712 57.395 58.100 0.011 0.000 1.100 501 Y CB 1.400 39.868 38.460 0.013 0.000 1.192 501 Y HN 0.144 nan 8.280 nan 0.000 0.458 502 K N 3.199 123.723 120.400 0.206 0.000 2.316 502 K HA 0.276 4.595 4.320 -0.002 0.000 0.267 502 K C 0.255 176.919 176.600 0.107 0.000 1.025 502 K CA -0.483 55.879 56.287 0.125 0.000 0.896 502 K CB 1.617 34.174 32.500 0.095 0.000 1.124 502 K HN 0.724 nan 8.250 nan 0.000 0.451 503 E N 1.559 121.811 120.200 0.087 0.000 2.331 503 E HA -0.184 4.164 4.350 -0.002 0.000 0.199 503 E C 0.474 177.105 176.600 0.051 0.000 1.008 503 E CA 1.050 57.488 56.400 0.063 0.000 0.843 503 E CB 0.083 29.811 29.700 0.047 0.000 0.761 503 E HN 0.590 nan 8.360 nan 0.000 0.507 504 D N 0.377 120.810 120.400 0.055 0.000 2.561 504 D HA -0.005 4.634 4.640 -0.002 0.000 0.232 504 D C 0.126 176.469 176.300 0.071 0.000 1.198 504 D CA 0.108 54.138 54.000 0.051 0.000 0.826 504 D CB 0.023 40.845 40.800 0.038 0.000 0.992 504 D HN 0.050 nan 8.370 nan 0.000 0.490 505 E N -0.009 120.247 120.200 0.094 0.000 4.120 505 E HA 0.001 4.350 4.350 -0.002 0.000 0.202 505 E C -0.077 176.594 176.600 0.117 0.000 1.067 505 E CA -0.390 56.074 56.400 0.107 0.000 1.424 505 E CB 0.291 30.050 29.700 0.100 0.000 1.164 505 E HN 0.247 nan 8.360 nan 0.000 0.439 506 Y N 0.283 120.590 120.300 0.011 0.000 2.128 506 Y HA -0.310 4.239 4.550 -0.002 0.000 0.284 506 Y C 1.863 177.752 175.900 -0.019 0.000 1.154 506 Y CA 1.732 59.800 58.100 -0.053 0.000 1.149 506 Y CB 0.025 38.429 38.460 -0.093 0.000 0.976 506 Y HN 0.303 nan 8.280 nan 0.000 0.505 507 F N 1.304 121.136 119.950 -0.196 0.000 2.065 507 F HA -0.262 4.264 4.527 -0.002 0.000 0.298 507 F C 2.134 177.808 175.800 -0.210 0.000 1.112 507 F CA 2.312 60.157 58.000 -0.259 0.000 1.212 507 F CB -0.347 38.578 39.000 -0.125 0.000 0.975 507 F HN 0.070 nan 8.300 nan 0.000 0.476 508 E N 0.264 120.555 120.200 0.152 0.000 2.160 508 E HA -0.229 4.120 4.350 -0.002 0.000 0.195 508 E C 1.723 178.346 176.600 0.037 0.000 0.991 508 E CA 1.901 58.380 56.400 0.132 0.000 0.810 508 E CB -0.470 29.314 29.700 0.140 0.000 0.742 508 E HN 0.633 nan 8.360 nan 0.000 0.466 509 N N -0.092 118.581 118.700 -0.045 0.000 2.173 509 N HA -0.088 4.650 4.740 -0.002 0.000 0.184 509 N C 1.464 176.890 175.510 -0.141 0.000 1.025 509 N CA 0.613 53.647 53.050 -0.026 0.000 0.852 509 N CB -0.033 38.336 38.487 -0.195 0.000 0.998 509 N HN 0.023 nan 8.380 nan 0.000 0.427 510 I N 1.899 122.193 120.570 -0.460 0.000 2.181 510 I HA -0.270 3.898 4.170 -0.002 0.000 0.247 510 I C 2.120 178.120 176.117 -0.195 0.000 1.081 510 I CA 1.395 62.421 61.300 -0.457 0.000 1.340 510 I CB -0.931 36.563 38.000 -0.843 0.000 1.036 510 I HN 0.250 nan 8.210 nan 0.000 0.417 511 I N -0.262 120.189 120.570 -0.199 0.000 2.400 511 I HA -0.192 3.977 4.170 -0.002 0.000 0.248 511 I C 2.496 178.676 176.117 0.105 0.000 1.109 511 I CA 0.835 62.126 61.300 -0.016 0.000 1.425 511 I CB -0.936 37.086 38.000 0.036 0.000 1.094 511 I HN 0.355 nan 8.210 nan 0.000 0.425 512 Q N 1.034 120.896 119.800 0.103 0.000 1.998 512 Q HA -0.279 4.060 4.340 -0.002 0.000 0.209 512 Q C 2.062 178.167 176.000 0.174 0.000 1.002 512 Q CA 2.248 58.134 55.803 0.138 0.000 0.858 512 Q CB -0.037 28.803 28.738 0.169 0.000 0.932 512 Q HN 0.393 nan 8.270 nan 0.000 0.416 513 N N 0.199 119.008 118.700 0.182 0.000 2.094 513 N HA -0.172 4.567 4.740 -0.002 0.000 0.191 513 N C 1.775 177.429 175.510 0.241 0.000 1.023 513 N CA 0.977 54.151 53.050 0.206 0.000 0.857 513 N CB -0.407 38.191 38.487 0.185 0.000 1.013 513 N HN 0.228 nan 8.380 nan 0.000 0.426 514 L N 1.058 122.389 121.223 0.180 0.000 1.944 514 L HA -0.251 4.088 4.340 -0.002 0.000 0.218 514 L C 2.155 179.106 176.870 0.136 0.000 1.075 514 L CA 1.680 56.616 54.840 0.160 0.000 0.767 514 L CB -0.452 41.722 42.059 0.192 0.000 0.890 514 L HN 0.204 nan 8.230 nan 0.000 0.434 515 K N -0.811 119.651 120.400 0.104 0.000 2.103 515 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 515 K C 1.759 178.411 176.600 0.086 0.000 1.048 515 K CA 1.448 57.747 56.287 0.019 0.000 0.930 515 K CB -0.451 32.033 32.500 -0.028 0.000 0.716 515 K HN 0.114 nan 8.250 nan 0.000 0.444 516 F N 1.803 121.753 119.950 -0.000 0.000 2.123 516 F HA -0.420 4.106 4.527 -0.002 0.000 0.302 516 F C 2.387 178.181 175.800 -0.010 0.000 1.251 516 F CA 1.940 59.944 58.000 0.007 0.000 1.236 516 F CB -0.480 38.547 39.000 0.045 0.000 0.927 516 F HN -0.076 nan 8.300 nan 0.000 0.554 517 S N -0.484 115.239 115.700 0.039 0.000 2.402 517 S HA -0.339 4.130 4.470 -0.002 0.000 0.233 517 S C 1.677 176.162 174.600 -0.192 0.000 1.030 517 S CA 1.559 59.647 58.200 -0.187 0.000 1.003 517 S CB -0.486 62.734 63.200 0.033 0.000 0.813 517 S HN 0.506 nan 8.310 nan 0.000 0.477 518 Q N 1.361 121.097 119.800 -0.106 0.000 2.020 518 Q HA -0.060 4.279 4.340 -0.002 0.000 0.202 518 Q C 2.303 178.221 176.000 -0.136 0.000 0.982 518 Q CA 2.157 57.898 55.803 -0.102 0.000 0.838 518 Q CB -0.810 27.882 28.738 -0.077 0.000 0.899 518 Q HN 0.438 nan 8.270 nan 0.000 0.423 519 S N -0.413 115.198 115.700 -0.147 0.000 2.382 519 S HA -0.213 4.256 4.470 -0.002 0.000 0.228 519 S C 1.879 176.354 174.600 -0.209 0.000 1.027 519 S CA 1.628 59.737 58.200 -0.151 0.000 0.991 519 S CB -0.376 62.753 63.200 -0.118 0.000 0.823 519 S HN 0.456 nan 8.310 nan 0.000 0.469 520 K N 0.228 120.427 120.400 -0.335 0.000 2.211 520 K HA -0.146 4.173 4.320 -0.002 0.000 0.204 520 K C 2.260 178.707 176.600 -0.254 0.000 1.047 520 K CA 1.675 57.723 56.287 -0.398 0.000 0.935 520 K CB -0.236 31.844 32.500 -0.701 0.000 0.728 520 K HN 0.356 nan 8.250 nan 0.000 0.452 521 Q N 0.455 120.129 119.800 -0.209 0.000 2.226 521 Q HA 0.096 4.435 4.340 -0.002 0.000 0.199 521 Q C 1.824 177.732 176.000 -0.154 0.000 0.945 521 Q CA 1.202 56.903 55.803 -0.169 0.000 0.861 521 Q CB -0.095 28.566 28.738 -0.128 0.000 0.953 521 Q HN 0.413 nan 8.270 nan 0.000 0.490 522 L N 0.473 121.618 121.223 -0.130 0.000 2.265 522 L HA -0.097 4.242 4.340 -0.002 0.000 0.215 522 L C 2.080 178.885 176.870 -0.108 0.000 1.117 522 L CA 0.914 55.689 54.840 -0.109 0.000 0.782 522 L CB -0.287 41.713 42.059 -0.097 0.000 0.914 522 L HN 0.128 nan 8.230 nan 0.000 0.441 523 K N 0.192 120.522 120.400 -0.117 0.000 2.362 523 K HA -0.176 4.143 4.320 -0.002 0.000 0.202 523 K C 1.949 178.509 176.600 -0.067 0.000 1.045 523 K CA 1.181 57.412 56.287 -0.093 0.000 0.936 523 K CB 0.074 32.511 32.500 -0.106 0.000 0.747 523 K HN 0.135 nan 8.250 nan 0.000 0.467 524 K N -0.722 119.625 120.400 -0.088 0.000 2.370 524 K HA 0.043 4.362 4.320 -0.002 0.000 0.194 524 K C 1.375 177.987 176.600 0.019 0.000 1.070 524 K CA -0.095 56.156 56.287 -0.060 0.000 0.998 524 K CB 0.141 32.481 32.500 -0.267 0.000 0.911 524 K HN 0.025 nan 8.250 nan 0.000 0.533 525 L N 1.964 123.171 121.223 -0.027 0.000 2.077 525 L HA -0.282 4.056 4.340 -0.002 0.000 0.231 525 L C 1.477 178.390 176.870 0.071 0.000 1.100 525 L CA 2.043 56.892 54.840 0.015 0.000 0.819 525 L CB -0.473 41.572 42.059 -0.024 0.000 0.913 525 L HN 0.180 nan 8.230 nan 0.000 0.446 526 R N -0.723 119.801 120.500 0.041 0.000 2.468 526 R HA 0.200 4.539 4.340 -0.002 0.000 0.280 526 R C 0.169 176.489 176.300 0.033 0.000 0.963 526 R CA -0.218 55.898 56.100 0.027 0.000 1.083 526 R CB 0.457 30.758 30.300 0.003 0.000 1.200 526 R HN 0.314 nan 8.270 nan 0.000 0.541 527 E N 1.452 121.695 120.200 0.071 0.000 2.250 527 E HA 0.288 4.637 4.350 -0.002 0.000 0.269 527 E C -0.526 176.085 176.600 0.017 0.000 1.018 527 E CA -0.588 55.844 56.400 0.053 0.000 0.873 527 E CB 1.284 31.026 29.700 0.069 0.000 1.134 527 E HN -0.154 nan 8.360 nan 0.000 0.403 528 K N 0.648 121.031 120.400 -0.028 0.000 2.258 528 K HA 0.212 4.531 4.320 -0.002 0.000 0.284 528 K C -0.439 176.087 176.600 -0.123 0.000 1.051 528 K CA -0.520 55.712 56.287 -0.092 0.000 0.923 528 K CB 1.092 33.555 32.500 -0.062 0.000 1.046 528 K HN 0.199 nan 8.250 nan 0.000 0.474 529 V N 3.975 123.713 119.914 -0.293 0.000 3.067 529 V HA -0.201 3.918 4.120 -0.002 0.000 0.285 529 V C 0.485 176.528 176.094 -0.085 0.000 1.308 529 V CA 0.916 63.078 62.300 -0.229 0.000 1.374 529 V CB -0.475 31.216 31.823 -0.221 0.000 0.808 529 V HN 0.814 nan 8.190 nan 0.000 0.448 530 D N 5.775 126.161 120.400 -0.023 0.000 2.349 530 D HA 0.015 4.654 4.640 -0.002 0.000 0.266 530 D C 1.172 177.461 176.300 -0.018 0.000 1.293 530 D CA 0.066 54.061 54.000 -0.009 0.000 0.926 530 D CB 0.683 41.493 40.800 0.017 0.000 1.090 530 D HN 0.578 nan 8.370 nan 0.000 0.502 531 K N 2.378 122.762 120.400 -0.026 0.000 2.281 531 K HA -0.158 4.161 4.320 -0.002 0.000 0.203 531 K C 0.739 177.330 176.600 -0.015 0.000 1.046 531 K CA 0.930 57.197 56.287 -0.033 0.000 0.938 531 K CB 0.321 32.803 32.500 -0.031 0.000 0.737 531 K HN 0.388 nan 8.250 nan 0.000 0.458 532 D N 0.425 120.838 120.400 0.022 0.000 2.348 532 D HA -0.038 4.601 4.640 -0.002 0.000 0.211 532 D C 0.282 176.674 176.300 0.153 0.000 0.998 532 D CA 0.348 54.392 54.000 0.073 0.000 0.873 532 D CB 0.207 41.051 40.800 0.073 0.000 0.925 532 D HN 0.247 nan 8.370 nan 0.000 0.524 533 E N -0.068 120.196 120.200 0.107 0.000 2.331 533 E HA 0.107 4.456 4.350 -0.002 0.000 0.272 533 E C -0.652 176.072 176.600 0.207 0.000 1.036 533 E CA -0.594 55.908 56.400 0.169 0.000 0.864 533 E CB 0.749 30.494 29.700 0.075 0.000 1.035 533 E HN -0.137 nan 8.360 nan 0.000 0.408 534 W N 4.067 125.335 121.300 -0.055 0.000 2.449 534 W HA 0.258 4.917 4.660 -0.002 0.000 0.331 534 W C 1.162 177.609 176.519 -0.120 0.000 1.119 534 W CA -0.678 56.622 57.345 -0.075 0.000 1.240 534 W CB 0.599 30.032 29.460 -0.045 0.000 1.251 534 W HN 0.534 nan 8.180 nan 0.000 0.576 535 I N -0.990 119.571 120.570 -0.015 0.000 3.226 535 I HA 0.137 4.306 4.170 -0.002 0.000 0.277 535 I C 0.663 176.627 176.117 -0.253 0.000 1.243 535 I CA 0.410 61.603 61.300 -0.179 0.000 1.459 535 I CB -0.028 37.774 38.000 -0.330 0.000 1.093 535 I HN 0.150 nan 8.210 nan 0.000 0.453 536 S N 1.047 116.696 115.700 -0.086 0.000 2.501 536 S HA 0.686 5.155 4.470 -0.002 0.000 0.301 536 S C 0.398 175.059 174.600 0.102 0.000 1.096 536 S CA -0.398 57.768 58.200 -0.056 0.000 1.063 536 S CB 1.380 64.643 63.200 0.106 0.000 1.042 536 S HN 0.459 nan 8.310 nan 0.000 0.494 537 G N 1.551 110.372 108.800 0.034 0.000 2.720 537 G HA2 0.368 4.327 3.960 -0.002 0.000 0.237 537 G HA3 0.368 4.327 3.960 -0.002 0.000 0.237 537 G C 1.031 175.954 174.900 0.039 0.000 1.239 537 G CA 0.089 45.200 45.100 0.017 0.000 0.847 537 G HN 1.017 nan 8.290 nan 0.000 0.593 538 A N 0.583 123.395 122.820 -0.014 0.000 2.209 538 A HA 0.370 4.689 4.320 -0.002 0.000 0.212 538 A C 2.228 179.757 177.584 -0.090 0.000 1.158 538 A CA 1.624 53.661 52.037 -0.000 0.000 0.742 538 A CB -0.103 18.899 19.000 0.004 0.000 0.790 538 A HN 1.342 nan 8.150 nan 0.000 0.472 539 A N -0.593 122.140 122.820 -0.146 0.000 2.370 539 A HA 0.529 4.848 4.320 -0.002 0.000 0.238 539 A C 0.181 177.533 177.584 -0.386 0.000 1.289 539 A CA 0.107 51.931 52.037 -0.356 0.000 0.885 539 A CB -0.136 18.740 19.000 -0.206 0.000 0.961 539 A HN 0.249 nan 8.150 nan 0.000 0.499 540 V N -0.526 119.255 119.914 -0.220 0.000 2.876 540 V HA 0.273 4.392 4.120 -0.002 0.000 0.312 540 V C -0.400 175.652 176.094 -0.070 0.000 1.085 540 V CA -0.536 61.716 62.300 -0.080 0.000 0.945 540 V CB 2.210 34.080 31.823 0.078 0.000 1.017 540 V HN -0.063 nan 8.190 nan 0.000 0.428 541 V N 4.140 124.019 119.914 -0.058 0.000 2.219 541 V HA 0.487 4.606 4.120 -0.002 0.000 0.267 541 V C -0.005 176.058 176.094 -0.053 0.000 1.266 541 V CA -0.017 62.212 62.300 -0.119 0.000 1.270 541 V CB -0.384 31.325 31.823 -0.190 0.000 1.356 541 V HN 0.868 nan 8.190 nan 0.000 0.490 542 N N 1.095 119.730 118.700 -0.108 0.000 3.243 542 N HA 0.872 5.611 4.740 -0.002 0.000 0.280 542 N C -1.088 174.146 175.510 -0.459 0.000 1.545 542 N CA 0.099 53.003 53.050 -0.244 0.000 0.854 542 N CB 2.534 40.797 38.487 -0.373 0.000 1.612 542 N HN 0.404 nan 8.380 nan 0.000 0.577 543 A N -0.152 122.248 122.820 -0.701 0.000 2.569 543 A HA 0.850 5.169 4.320 -0.002 0.000 0.290 543 A C -1.821 175.188 177.584 -0.959 0.000 1.136 543 A CA -0.375 51.225 52.037 -0.728 0.000 0.710 543 A CB 0.935 19.726 19.000 -0.349 0.000 1.303 543 A HN 0.391 nan 8.150 nan 0.000 0.413 544 F N -1.270 118.538 119.950 -0.236 0.000 2.664 544 F HA 0.690 5.216 4.527 -0.002 0.000 0.317 544 F C -0.822 174.914 175.800 -0.108 0.000 1.108 544 F CA -0.493 57.431 58.000 -0.128 0.000 0.957 544 F CB 1.922 40.833 39.000 -0.148 0.000 1.365 544 F HN 0.647 nan 8.300 nan 0.000 0.475 545 Y N 0.313 120.617 120.300 0.006 0.000 2.457 545 Y HA 0.646 5.194 4.550 -0.002 0.000 0.343 545 Y C -0.920 174.901 175.900 -0.132 0.000 0.994 545 Y CA -0.858 57.191 58.100 -0.085 0.000 1.031 545 Y CB 2.039 40.463 38.460 -0.061 0.000 1.246 545 Y HN 0.564 nan 8.280 nan 0.000 0.449 546 S N 2.150 117.101 115.700 -1.248 0.000 2.578 546 S HA 0.509 4.978 4.470 -0.002 0.000 0.301 546 S C 0.217 174.064 174.600 -1.255 0.000 1.091 546 S CA -0.187 57.441 58.200 -0.953 0.000 1.032 546 S CB 1.424 64.276 63.200 -0.579 0.000 1.064 546 S HN 0.822 nan 8.310 nan 0.000 0.508 547 S N 3.034 118.305 115.700 -0.715 0.000 2.371 547 S HA 0.078 4.547 4.470 -0.002 0.000 0.221 547 S C 2.135 176.395 174.600 -0.566 0.000 1.036 547 S CA 0.747 58.506 58.200 -0.735 0.000 0.965 547 S CB -0.963 61.340 63.200 -1.496 0.000 0.845 547 S HN 0.903 nan 8.310 nan 0.000 0.475 548 G N 1.821 110.359 108.800 -0.436 0.000 2.505 548 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.220 548 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.220 548 G C 1.586 176.365 174.900 -0.202 0.000 1.145 548 G CA 1.091 46.058 45.100 -0.222 0.000 0.761 548 G HN 0.332 nan 8.290 nan 0.000 0.571 549 R N -0.888 119.439 120.500 -0.288 0.000 2.237 549 R HA 0.203 4.542 4.340 -0.002 0.000 0.195 549 R C 1.003 177.169 176.300 -0.222 0.000 0.956 549 R CA 0.094 56.048 56.100 -0.243 0.000 1.029 549 R CB -0.331 29.798 30.300 -0.285 0.000 0.972 549 R HN 0.442 nan 8.270 nan 0.000 0.493 550 N N 1.131 119.669 118.700 -0.270 0.000 2.667 550 N HA -0.236 4.503 4.740 -0.002 0.000 0.263 550 N C -1.118 174.298 175.510 -0.158 0.000 1.038 550 N CA 0.268 53.222 53.050 -0.160 0.000 0.749 550 N CB -0.277 38.182 38.487 -0.047 0.000 0.892 550 N HN 0.319 nan 8.380 nan 0.000 0.546 551 Q N 1.110 120.690 119.800 -0.366 0.000 2.347 551 Q HA 0.567 4.906 4.340 -0.002 0.000 0.271 551 Q C -0.547 175.345 176.000 -0.180 0.000 1.064 551 Q CA -0.867 54.787 55.803 -0.249 0.000 0.800 551 Q CB 1.697 30.249 28.738 -0.310 0.000 1.304 551 Q HN 0.450 nan 8.270 nan 0.000 0.438 552 I N -0.276 120.256 120.570 -0.062 0.000 2.377 552 I HA 0.707 4.876 4.170 -0.002 0.000 0.293 552 I C -0.741 175.209 176.117 -0.279 0.000 0.987 552 I CA -1.043 60.207 61.300 -0.084 0.000 1.185 552 I CB 1.548 39.606 38.000 0.098 0.000 1.341 552 I HN 0.135 nan 8.210 nan 0.000 0.455 553 V N 5.774 125.402 119.914 -0.477 0.000 2.540 553 V HA 0.484 4.603 4.120 -0.002 0.000 0.302 553 V C -0.915 174.822 176.094 -0.595 0.000 1.035 553 V CA -0.366 61.712 62.300 -0.369 0.000 0.873 553 V CB 1.480 33.238 31.823 -0.109 0.000 0.992 553 V HN 0.615 nan 8.190 nan 0.000 0.428 554 F N 4.438 124.411 119.950 0.040 0.000 2.809 554 F HA 0.460 4.986 4.527 -0.002 0.000 0.369 554 F C -2.438 173.379 175.800 0.028 0.000 1.225 554 F CA -2.284 55.713 58.000 -0.004 0.000 1.201 554 F CB 1.458 40.413 39.000 -0.075 0.000 1.527 554 F HN 0.311 nan 8.300 nan 0.000 0.565 555 P HA -0.106 nan 4.420 nan 0.000 0.263 555 P C 0.819 178.108 177.300 -0.018 0.000 1.168 555 P CA 0.542 63.727 63.100 0.142 0.000 0.759 555 P CB 0.879 32.660 31.700 0.136 0.000 0.782 556 A N 4.418 127.150 122.820 -0.147 0.000 2.042 556 A HA -0.208 4.111 4.320 -0.002 0.000 0.222 556 A C 2.370 179.899 177.584 -0.092 0.000 1.167 556 A CA 2.330 54.094 52.037 -0.456 0.000 0.649 556 A CB -1.661 16.905 19.000 -0.724 0.000 0.809 556 A HN 0.654 nan 8.150 nan 0.000 0.457 557 G N -0.441 108.338 108.800 -0.035 0.000 2.422 557 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.218 557 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.218 557 G C 1.508 176.385 174.900 -0.038 0.000 1.146 557 G CA 1.090 46.172 45.100 -0.031 0.000 0.769 557 G HN 0.574 nan 8.290 nan 0.000 0.547 558 I N 0.367 120.874 120.570 -0.104 0.000 2.617 558 I HA 0.169 4.338 4.170 -0.002 0.000 0.256 558 I C 1.013 177.157 176.117 0.045 0.000 1.167 558 I CA 0.133 61.306 61.300 -0.212 0.000 1.469 558 I CB 0.097 37.859 38.000 -0.395 0.000 1.098 558 I HN -0.075 nan 8.210 nan 0.000 0.436 559 L N 3.608 124.878 121.223 0.079 0.000 2.752 559 L HA 0.015 4.354 4.340 -0.002 0.000 0.251 559 L C -0.233 177.904 176.870 2.113 0.000 1.436 559 L CA 0.510 55.478 54.840 0.212 0.000 1.181 559 L CB -1.718 40.209 42.059 -0.219 0.000 1.414 559 L HN 0.517 nan 8.230 nan 0.000 0.448 560 Q N 0.424 120.861 119.800 1.060 0.000 2.776 560 Q HA 0.476 4.815 4.340 -0.002 0.000 0.289 560 Q C -3.028 173.077 176.000 0.174 0.000 0.912 560 Q CA -1.772 54.165 55.803 0.223 0.000 0.789 560 Q CB 1.463 30.331 28.738 0.217 0.000 1.498 560 Q HN -0.140 nan 8.270 nan 0.000 0.408 561 P HA 0.078 nan 4.420 nan 0.000 0.266 561 P C -1.999 175.267 177.300 -0.057 0.000 1.195 561 P CA -0.808 62.251 63.100 -0.069 0.000 0.768 561 P CB 0.291 31.920 31.700 -0.119 0.000 0.838 562 P HA 0.046 nan 4.420 nan 0.000 0.255 562 P C 0.764 177.897 177.300 -0.278 0.000 1.248 562 P CA 0.560 63.474 63.100 -0.310 0.000 0.807 562 P CB -0.003 31.431 31.700 -0.443 0.000 1.150 563 F N 0.855 120.784 119.950 -0.036 0.000 2.146 563 F HA 0.073 4.598 4.527 -0.002 0.000 0.298 563 F C 1.351 177.224 175.800 0.122 0.000 1.096 563 F CA 0.708 58.722 58.000 0.024 0.000 1.275 563 F CB -0.505 38.516 39.000 0.035 0.000 1.008 563 F HN -0.122 nan 8.300 nan 0.000 0.480 564 F N -1.363 118.651 119.950 0.108 0.000 2.615 564 F HA 0.666 5.192 4.527 -0.002 0.000 0.312 564 F C -0.920 174.897 175.800 0.029 0.000 1.119 564 F CA -1.153 56.864 58.000 0.028 0.000 0.979 564 F CB 1.492 40.500 39.000 0.013 0.000 1.266 564 F HN -0.328 nan 8.300 nan 0.000 0.444 565 S N 2.516 117.974 115.700 -0.404 0.000 2.546 565 S HA 0.663 5.132 4.470 -0.002 0.000 0.274 565 S C 0.605 175.101 174.600 -0.175 0.000 1.121 565 S CA -0.106 57.775 58.200 -0.532 0.000 0.887 565 S CB 1.739 64.729 63.200 -0.349 0.000 1.094 565 S HN 1.455 nan 8.310 nan 0.000 0.474 566 A N 2.467 125.223 122.820 -0.107 0.000 2.093 566 A HA -0.153 4.166 4.320 -0.002 0.000 0.222 566 A C 1.728 179.307 177.584 -0.008 0.000 1.162 566 A CA 2.028 54.068 52.037 0.006 0.000 0.655 566 A CB -0.431 18.578 19.000 0.015 0.000 0.805 566 A HN 0.696 nan 8.150 nan 0.000 0.461 567 Q N -1.187 118.584 119.800 -0.048 0.000 2.391 567 Q HA 0.101 4.440 4.340 -0.002 0.000 0.243 567 Q C 1.258 177.249 176.000 -0.016 0.000 0.874 567 Q CA 0.691 56.478 55.803 -0.027 0.000 0.950 567 Q CB 0.161 28.873 28.738 -0.044 0.000 1.103 567 Q HN 0.913 nan 8.270 nan 0.000 0.544 568 Q N -0.478 119.300 119.800 -0.036 0.000 2.414 568 Q HA 0.358 4.697 4.340 -0.002 0.000 0.206 568 Q C -0.395 175.607 176.000 0.003 0.000 1.058 568 Q CA -0.293 55.499 55.803 -0.017 0.000 1.025 568 Q CB 0.546 29.261 28.738 -0.038 0.000 1.196 568 Q HN -0.068 nan 8.270 nan 0.000 0.586 569 S N 0.434 116.142 115.700 0.013 0.000 2.593 569 S HA 0.085 4.554 4.470 -0.002 0.000 0.269 569 S C 0.633 175.210 174.600 -0.040 0.000 1.334 569 S CA -0.445 57.751 58.200 -0.007 0.000 1.015 569 S CB 0.494 63.677 63.200 -0.029 0.000 0.912 569 S HN 0.661 nan 8.310 nan 0.000 0.541 570 N N 1.121 119.805 118.700 -0.027 0.000 2.395 570 N HA -0.086 4.653 4.740 -0.002 0.000 0.175 570 N C 1.864 177.390 175.510 0.026 0.000 1.029 570 N CA 0.818 53.888 53.050 0.033 0.000 0.897 570 N CB -0.171 38.352 38.487 0.060 0.000 0.991 570 N HN 0.661 nan 8.380 nan 0.000 0.441 571 S N 2.428 117.976 115.700 -0.253 0.000 2.408 571 S HA -0.228 4.241 4.470 -0.002 0.000 0.241 571 S C 1.968 176.486 174.600 -0.136 0.000 1.080 571 S CA 1.443 59.335 58.200 -0.514 0.000 1.109 571 S CB -0.909 62.101 63.200 -0.316 0.000 0.966 571 S HN 0.260 nan 8.310 nan 0.000 0.449 572 L N 1.334 122.512 121.223 -0.075 0.000 2.341 572 L HA 0.166 4.505 4.340 -0.002 0.000 0.214 572 L C 2.363 179.202 176.870 -0.052 0.000 1.115 572 L CA 0.628 55.433 54.840 -0.058 0.000 0.820 572 L CB -0.676 41.360 42.059 -0.038 0.000 0.944 572 L HN 0.159 nan 8.230 nan 0.000 0.452 573 N N -0.050 118.630 118.700 -0.033 0.000 2.142 573 N HA -0.160 4.579 4.740 -0.002 0.000 0.186 573 N C 1.865 177.331 175.510 -0.073 0.000 1.023 573 N CA 1.556 54.573 53.050 -0.055 0.000 0.852 573 N CB -0.310 38.097 38.487 -0.134 0.000 0.998 573 N HN 0.372 nan 8.380 nan 0.000 0.424 574 Y N 0.495 120.801 120.300 0.011 0.000 2.337 574 Y HA 0.078 4.627 4.550 -0.002 0.000 0.293 574 Y C 2.510 178.450 175.900 0.068 0.000 1.123 574 Y CA 0.850 59.064 58.100 0.189 0.000 1.201 574 Y CB -0.616 38.053 38.460 0.349 0.000 1.011 574 Y HN 0.066 nan 8.280 nan 0.000 0.545 575 G N -0.298 108.356 108.800 -0.244 0.000 2.462 575 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.220 575 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.220 575 G C 1.558 176.332 174.900 -0.210 0.000 1.121 575 G CA 1.079 45.660 45.100 -0.865 0.000 0.758 575 G HN 0.513 nan 8.290 nan 0.000 0.559 576 G N 0.156 108.938 108.800 -0.031 0.000 2.601 576 G HA2 0.250 4.209 3.960 -0.002 0.000 0.214 576 G HA3 0.250 4.209 3.960 -0.002 0.000 0.214 576 G C 1.275 176.343 174.900 0.280 0.000 2.067 576 G CA 0.416 45.572 45.100 0.093 0.000 0.774 576 G HN 0.047 nan 8.290 nan 0.000 0.729 577 I N 2.547 123.274 120.570 0.263 0.000 2.335 577 I HA -0.049 4.119 4.170 -0.002 0.000 0.251 577 I C 2.741 178.879 176.117 0.036 0.000 1.129 577 I CA 1.562 62.937 61.300 0.125 0.000 1.402 577 I CB -1.048 36.949 38.000 -0.006 0.000 1.069 577 I HN 0.259 nan 8.210 nan 0.000 0.424 578 G N 0.796 109.621 108.800 0.043 0.000 2.459 578 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.217 578 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.217 578 G C 1.602 176.625 174.900 0.205 0.000 1.183 578 G CA 1.371 46.520 45.100 0.080 0.000 0.776 578 G HN 0.513 nan 8.290 nan 0.000 0.552 579 M N 0.259 120.015 119.600 0.261 0.000 2.296 579 M HA 0.196 4.675 4.480 -0.002 0.000 0.265 579 M C 2.105 178.628 176.300 0.373 0.000 1.064 579 M CA 1.333 56.831 55.300 0.329 0.000 1.109 579 M CB -0.410 32.405 32.600 0.359 0.000 1.396 579 M HN -0.056 nan 8.290 nan 0.000 0.430 580 V N 0.442 120.557 119.914 0.335 0.000 2.515 580 V HA -0.175 3.944 4.120 -0.002 0.000 0.250 580 V C 2.372 178.736 176.094 0.450 0.000 1.058 580 V CA 1.701 64.215 62.300 0.358 0.000 1.064 580 V CB -0.510 31.461 31.823 0.247 0.000 0.675 580 V HN 0.584 nan 8.190 nan 0.000 0.461 581 I N 0.407 121.140 120.570 0.272 0.000 2.439 581 I HA -0.092 4.077 4.170 -0.002 0.000 0.251 581 I C 2.387 178.723 176.117 0.364 0.000 1.139 581 I CA 1.601 63.087 61.300 0.311 0.000 1.438 581 I CB -0.560 37.415 38.000 -0.042 0.000 1.085 581 I HN 0.349 nan 8.210 nan 0.000 0.427 582 G N -1.229 107.748 108.800 0.295 0.000 2.623 582 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.214 582 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.214 582 G C 1.412 176.467 174.900 0.259 0.000 1.138 582 G CA 0.528 45.781 45.100 0.254 0.000 0.794 582 G HN 0.426 nan 8.290 nan 0.000 0.535 583 H N 0.871 120.088 119.070 0.245 0.000 2.270 583 H HA -0.039 4.516 4.556 -0.002 0.000 0.299 583 H C 2.462 177.906 175.328 0.194 0.000 1.077 583 H CA 1.945 58.120 56.048 0.212 0.000 1.294 583 H CB 0.223 30.159 29.762 0.290 0.000 1.371 583 H HN 0.207 nan 8.280 nan 0.000 0.491 584 E N 0.554 121.015 120.200 0.435 0.000 2.051 584 E HA -0.149 4.200 4.350 -0.002 0.000 0.192 584 E C 2.612 179.272 176.600 0.099 0.000 0.991 584 E CA 1.116 57.722 56.400 0.343 0.000 0.799 584 E CB -0.367 29.474 29.700 0.235 0.000 0.748 584 E HN 0.590 nan 8.360 nan 0.000 0.449 585 I N 1.363 121.987 120.570 0.090 0.000 2.208 585 I HA -0.264 3.905 4.170 -0.002 0.000 0.245 585 I C 2.288 178.320 176.117 -0.142 0.000 1.097 585 I CA 1.420 62.677 61.300 -0.071 0.000 1.363 585 I CB -0.267 37.690 38.000 -0.071 0.000 1.051 585 I HN 0.074 nan 8.210 nan 0.000 0.413 586 T N -1.091 113.417 114.554 -0.077 0.000 2.833 586 T HA -0.190 4.158 4.350 -0.002 0.000 0.269 586 T C 1.830 176.514 174.700 -0.027 0.000 1.054 586 T CA 1.010 63.088 62.100 -0.037 0.000 1.135 586 T CB -0.363 68.484 68.868 -0.034 0.000 0.869 586 T HN 0.341 nan 8.240 nan 0.000 0.466 587 H N 0.857 119.785 119.070 -0.236 0.000 2.457 587 H HA -0.057 4.498 4.556 -0.002 0.000 0.297 587 H C 2.544 177.480 175.328 -0.654 0.000 1.092 587 H CA 1.073 56.918 56.048 -0.338 0.000 1.309 587 H CB -0.862 28.715 29.762 -0.308 0.000 1.382 587 H HN 0.476 nan 8.280 nan 0.000 0.535 588 G N 0.654 108.846 108.800 -1.013 0.000 2.927 588 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.277 588 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.277 588 G C 0.920 175.239 174.900 -0.969 0.000 1.078 588 G CA 2.018 46.381 45.100 -1.228 0.000 0.761 588 G HN 0.517 nan 8.290 nan 0.000 0.670 589 F N 1.281 121.200 119.950 -0.052 0.000 2.880 589 F HA 0.265 4.790 4.527 -0.002 0.000 0.328 589 F C 0.761 176.778 175.800 0.363 0.000 1.146 589 F CA -0.419 57.704 58.000 0.205 0.000 1.135 589 F CB 0.257 39.284 39.000 0.044 0.000 1.151 589 F HN 0.172 nan 8.300 nan 0.000 0.523 590 D N 0.345 120.980 120.400 0.391 0.000 2.314 590 D HA -0.104 4.535 4.640 -0.002 0.000 0.252 590 D C 1.276 177.778 176.300 0.337 0.000 1.295 590 D CA 0.299 54.568 54.000 0.449 0.000 0.995 590 D CB 0.301 41.243 40.800 0.237 0.000 1.125 590 D HN 0.176 nan 8.370 nan 0.000 0.537 591 D N -1.489 119.108 120.400 0.328 0.000 2.351 591 D HA -0.219 4.420 4.640 -0.002 0.000 0.216 591 D C 1.005 177.327 176.300 0.036 0.000 0.968 591 D CA 0.716 54.811 54.000 0.158 0.000 0.899 591 D CB -0.389 40.509 40.800 0.164 0.000 0.907 591 D HN 0.527 nan 8.370 nan 0.000 0.514 592 N N 0.579 119.345 118.700 0.110 0.000 2.324 592 N HA -0.046 4.693 4.740 -0.002 0.000 0.192 592 N C 2.036 177.690 175.510 0.241 0.000 1.046 592 N CA 0.959 54.100 53.050 0.153 0.000 0.898 592 N CB -0.184 38.408 38.487 0.177 0.000 1.079 592 N HN 0.196 nan 8.380 nan 0.000 0.456 593 G N 1.673 110.628 108.800 0.258 0.000 2.598 593 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.215 593 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.215 593 G C 1.596 176.651 174.900 0.258 0.000 1.131 593 G CA 0.171 45.473 45.100 0.336 0.000 0.785 593 G HN 0.461 nan 8.290 nan 0.000 0.539 594 R N 0.975 121.540 120.500 0.108 0.000 2.127 594 R HA -0.077 4.262 4.340 -0.002 0.000 0.238 594 R C 1.244 177.488 176.300 -0.092 0.000 1.134 594 R CA 1.574 57.674 56.100 0.001 0.000 0.975 594 R CB -0.576 29.355 30.300 -0.615 0.000 0.865 594 R HN 0.304 nan 8.270 nan 0.000 0.447 595 N N -0.165 118.450 118.700 -0.143 0.000 2.449 595 N HA 0.006 4.745 4.740 -0.002 0.000 0.191 595 N C -0.701 174.720 175.510 -0.149 0.000 1.161 595 N CA 0.460 53.361 53.050 -0.249 0.000 0.863 595 N CB 0.142 38.400 38.487 -0.382 0.000 0.980 595 N HN 0.100 nan 8.380 nan 0.000 0.458 596 F N 1.155 121.270 119.950 0.275 0.000 2.508 596 F HA 0.259 4.785 4.527 -0.002 0.000 0.325 596 F C 0.863 176.873 175.800 0.349 0.000 1.090 596 F CA -1.260 56.893 58.000 0.256 0.000 0.945 596 F CB 1.152 40.238 39.000 0.143 0.000 1.156 596 F HN -0.084 nan 8.300 nan 0.000 0.463 597 N N 2.136 121.059 118.700 0.372 0.000 2.593 597 N HA 0.140 4.879 4.740 -0.002 0.000 0.304 597 N C 0.580 176.096 175.510 0.010 0.000 1.296 597 N CA -0.545 52.561 53.050 0.094 0.000 0.950 597 N CB 0.387 38.924 38.487 0.083 0.000 1.127 597 N HN 0.679 nan 8.380 nan 0.000 0.587 598 K N -1.419 118.924 120.400 -0.096 0.000 2.504 598 K HA -0.008 4.311 4.320 -0.002 0.000 0.195 598 K C -0.599 175.977 176.600 -0.040 0.000 1.036 598 K CA 1.106 57.336 56.287 -0.094 0.000 0.984 598 K CB -0.020 32.406 32.500 -0.123 0.000 0.788 598 K HN 0.416 nan 8.250 nan 0.000 0.488 599 D N -0.291 120.106 120.400 -0.005 0.000 2.503 599 D HA 0.131 4.770 4.640 -0.002 0.000 0.218 599 D C 0.725 177.033 176.300 0.013 0.000 1.183 599 D CA 0.617 54.614 54.000 -0.006 0.000 0.827 599 D CB 1.311 42.108 40.800 -0.005 0.000 1.034 599 D HN 0.438 nan 8.370 nan 0.000 0.510 600 G N 1.165 109.998 108.800 0.056 0.000 2.213 600 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.226 600 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.226 600 G C -0.163 174.913 174.900 0.293 0.000 0.992 600 G CA -0.409 44.733 45.100 0.069 0.000 0.632 600 G HN 0.174 nan 8.290 nan 0.000 0.511 601 D N 0.581 121.135 120.400 0.256 0.000 2.210 601 D HA 0.406 5.044 4.640 -0.002 0.000 0.249 601 D C 0.687 177.092 176.300 0.176 0.000 1.078 601 D CA -0.481 53.645 54.000 0.210 0.000 0.875 601 D CB 1.342 42.197 40.800 0.092 0.000 1.175 601 D HN 0.110 nan 8.370 nan 0.000 0.440 602 L N 3.203 124.423 121.223 -0.005 0.000 2.505 602 L HA 0.150 4.489 4.340 -0.002 0.000 0.279 602 L C -0.675 176.086 176.870 -0.182 0.000 1.211 602 L CA 0.230 54.866 54.840 -0.341 0.000 1.059 602 L CB -0.195 41.612 42.059 -0.419 0.000 1.340 602 L HN 0.038 nan 8.230 nan 0.000 0.447 603 V N 3.395 123.284 119.914 -0.041 0.000 2.888 603 V HA 0.305 4.424 4.120 -0.002 0.000 0.309 603 V C -0.756 175.431 176.094 0.155 0.000 1.114 603 V CA -0.893 61.423 62.300 0.026 0.000 0.940 603 V CB 2.743 34.594 31.823 0.047 0.000 1.021 603 V HN 0.486 nan 8.190 nan 0.000 0.426 604 D N 6.222 126.674 120.400 0.087 0.000 2.325 604 D HA 0.202 4.840 4.640 -0.002 0.000 0.251 604 D C 0.283 176.715 176.300 0.220 0.000 1.196 604 D CA -0.345 53.697 54.000 0.071 0.000 0.866 604 D CB 0.687 41.487 40.800 0.001 0.000 1.101 604 D HN 0.708 nan 8.370 nan 0.000 0.476 605 W N 3.393 124.828 121.300 0.225 0.000 2.599 605 W HA 0.305 4.964 4.660 -0.002 0.000 0.396 605 W C -1.245 175.350 176.519 0.127 0.000 0.944 605 W CA -0.945 56.489 57.345 0.148 0.000 2.042 605 W CB -0.951 28.568 29.460 0.098 0.000 1.184 605 W HN 0.194 nan 8.180 nan 0.000 0.604 606 W N 3.303 124.493 121.300 -0.183 0.000 2.417 606 W HA 0.363 5.023 4.660 -0.001 0.000 0.315 606 W C 0.709 177.200 176.519 -0.046 0.000 1.045 606 W CA -0.897 56.329 57.345 -0.198 0.000 1.221 606 W CB 1.140 30.373 29.460 -0.379 0.000 1.309 606 W HN -0.114 nan 8.180 nan 0.000 0.453 607 T N 0.883 115.511 114.554 0.123 0.000 2.718 607 T HA -0.195 4.154 4.350 -0.002 0.000 0.265 607 T C 1.343 176.135 174.700 0.153 0.000 1.014 607 T CA -0.064 62.105 62.100 0.114 0.000 1.172 607 T CB 0.839 69.753 68.868 0.076 0.000 1.007 607 T HN 0.591 nan 8.240 nan 0.000 0.500 608 Q N 1.639 121.504 119.800 0.108 0.000 2.167 608 Q HA -0.369 3.970 4.340 -0.002 0.000 0.218 608 Q C 2.042 178.107 176.000 0.110 0.000 1.033 608 Q CA 2.894 58.750 55.803 0.089 0.000 0.918 608 Q CB -0.247 28.527 28.738 0.061 0.000 1.019 608 Q HN 0.968 nan 8.270 nan 0.000 0.417 609 Q N -0.948 118.922 119.800 0.116 0.000 2.302 609 Q HA 0.070 4.409 4.340 -0.002 0.000 0.202 609 Q C 1.914 178.032 176.000 0.197 0.000 0.936 609 Q CA 1.197 57.073 55.803 0.122 0.000 0.886 609 Q CB 0.051 28.845 28.738 0.094 0.000 0.986 609 Q HN 0.188 nan 8.270 nan 0.000 0.487 610 S N -0.168 115.683 115.700 0.252 0.000 2.428 610 S HA -0.026 4.442 4.470 -0.002 0.000 0.230 610 S C 1.740 176.717 174.600 0.629 0.000 1.014 610 S CA 0.689 59.150 58.200 0.434 0.000 0.957 610 S CB -0.278 63.116 63.200 0.323 0.000 0.784 610 S HN 0.573 nan 8.310 nan 0.000 0.499 611 A N 0.981 124.045 122.820 0.406 0.000 1.858 611 A HA -0.068 4.251 4.320 -0.002 0.000 0.216 611 A C 2.298 179.970 177.584 0.147 0.000 1.190 611 A CA 1.883 54.030 52.037 0.184 0.000 0.617 611 A CB -1.051 17.970 19.000 0.036 0.000 0.827 611 A HN 0.437 nan 8.150 nan 0.000 0.443 612 S N -0.207 115.567 115.700 0.122 0.000 2.474 612 S HA -0.095 4.374 4.470 -0.002 0.000 0.235 612 S C 1.789 176.416 174.600 0.045 0.000 0.997 612 S CA 1.089 59.323 58.200 0.057 0.000 0.949 612 S CB -0.434 62.794 63.200 0.048 0.000 0.766 612 S HN 0.631 nan 8.310 nan 0.000 0.517 613 N N 0.563 119.338 118.700 0.125 0.000 2.251 613 N HA 0.119 4.858 4.740 -0.002 0.000 0.181 613 N C 1.283 176.675 175.510 -0.195 0.000 1.019 613 N CA 0.551 53.645 53.050 0.074 0.000 0.862 613 N CB -0.456 38.230 38.487 0.333 0.000 0.992 613 N HN 0.363 nan 8.380 nan 0.000 0.429 614 F N 2.362 122.129 119.950 -0.305 0.000 2.043 614 F HA -0.256 4.270 4.527 -0.002 0.000 0.297 614 F C 1.967 177.483 175.800 -0.474 0.000 1.118 614 F CA 1.741 59.351 58.000 -0.649 0.000 1.202 614 F CB -0.000 38.763 39.000 -0.394 0.000 0.965 614 F HN -0.040 nan 8.300 nan 0.000 0.482 615 K N -0.194 120.136 120.400 -0.117 0.000 2.063 615 K HA -0.248 4.071 4.320 -0.002 0.000 0.208 615 K C 2.041 178.484 176.600 -0.261 0.000 1.048 615 K CA 1.888 58.081 56.287 -0.157 0.000 0.928 615 K CB -0.447 32.011 32.500 -0.069 0.000 0.713 615 K HN 0.416 nan 8.250 nan 0.000 0.442 616 E N 0.662 120.722 120.200 -0.233 0.000 2.051 616 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 616 E C 2.282 178.694 176.600 -0.312 0.000 0.991 616 E CA 1.165 57.438 56.400 -0.212 0.000 0.799 616 E CB 0.245 29.862 29.700 -0.138 0.000 0.748 616 E HN 0.221 nan 8.360 nan 0.000 0.449 617 Q N -0.345 119.151 119.800 -0.507 0.000 2.083 617 Q HA -0.090 4.249 4.340 -0.002 0.000 0.198 617 Q C 2.403 178.084 176.000 -0.531 0.000 0.969 617 Q CA 1.622 57.080 55.803 -0.576 0.000 0.838 617 Q CB -0.202 27.982 28.738 -0.923 0.000 0.900 617 Q HN 0.294 nan 8.270 nan 0.000 0.436 618 S N 0.104 115.408 115.700 -0.659 0.000 2.461 618 S HA -0.116 4.353 4.470 -0.002 0.000 0.228 618 S C 1.875 176.255 174.600 -0.366 0.000 1.005 618 S CA 0.816 58.688 58.200 -0.548 0.000 0.942 618 S CB -0.033 62.753 63.200 -0.691 0.000 0.776 618 S HN 0.136 nan 8.310 nan 0.000 0.514 619 Q N 0.992 120.584 119.800 -0.346 0.000 2.297 619 Q HA -0.090 4.249 4.340 -0.002 0.000 0.208 619 Q C 2.142 177.959 176.000 -0.304 0.000 0.981 619 Q CA 1.513 57.114 55.803 -0.337 0.000 0.876 619 Q CB -1.171 27.395 28.738 -0.287 0.000 0.921 619 Q HN 0.710 nan 8.270 nan 0.000 0.446 620 c N -0.819 117.649 118.600 -0.220 0.000 2.453 620 c HA -0.052 4.517 4.570 -0.002 0.000 0.277 620 c C 2.421 176.452 174.090 -0.099 0.000 1.262 620 c CA 0.980 57.238 56.329 -0.119 0.000 1.718 620 c CB -0.907 41.526 42.510 -0.129 0.000 2.031 620 c HN 0.705 nan 8.230 nan 0.000 0.480 621 M N 0.126 119.657 119.600 -0.115 0.000 2.082 621 M HA -0.168 4.311 4.480 -0.002 0.000 0.258 621 M C 2.138 178.419 176.300 -0.032 0.000 1.069 621 M CA 1.906 57.197 55.300 -0.016 0.000 1.102 621 M CB -0.522 32.062 32.600 -0.027 0.000 1.336 621 M HN 0.356 nan 8.290 nan 0.000 0.404 622 V N -0.625 119.188 119.914 -0.168 0.000 2.313 622 V HA -0.329 3.790 4.120 -0.002 0.000 0.253 622 V C 2.058 178.064 176.094 -0.146 0.000 1.070 622 V CA 2.072 64.236 62.300 -0.226 0.000 1.057 622 V CB -0.712 30.855 31.823 -0.427 0.000 0.653 622 V HN 0.401 nan 8.190 nan 0.000 0.450 623 Y N -0.611 119.628 120.300 -0.102 0.000 2.347 623 Y HA -0.036 4.513 4.550 -0.002 0.000 0.294 623 Y C 2.443 178.220 175.900 -0.205 0.000 1.117 623 Y CA 0.928 58.953 58.100 -0.126 0.000 1.184 623 Y CB -0.775 37.615 38.460 -0.117 0.000 1.047 623 Y HN 0.294 nan 8.280 nan 0.000 0.546 624 Q N -0.422 119.321 119.800 -0.095 0.000 1.927 624 Q HA -0.281 4.058 4.340 -0.002 0.000 0.210 624 Q C 1.859 177.442 176.000 -0.696 0.000 1.001 624 Q CA 2.471 58.038 55.803 -0.393 0.000 0.862 624 Q CB -0.609 27.901 28.738 -0.381 0.000 0.934 624 Q HN 0.484 nan 8.270 nan 0.000 0.420 625 Y N -0.324 119.643 120.300 -0.554 0.000 2.403 625 Y HA -0.072 4.477 4.550 -0.002 0.000 0.291 625 Y C 2.229 177.893 175.900 -0.393 0.000 1.143 625 Y CA 1.060 58.823 58.100 -0.562 0.000 1.257 625 Y CB -0.492 37.891 38.460 -0.129 0.000 0.984 625 Y HN 0.374 nan 8.280 nan 0.000 0.550 626 G N -0.577 108.157 108.800 -0.111 0.000 2.470 626 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.220 626 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.220 626 G C 1.467 176.332 174.900 -0.058 0.000 1.121 626 G CA 0.821 45.905 45.100 -0.025 0.000 0.766 626 G HN 0.353 nan 8.290 nan 0.000 0.553 627 N N -0.385 118.175 118.700 -0.234 0.000 2.205 627 N HA 0.111 4.850 4.740 -0.002 0.000 0.201 627 N C -0.496 174.822 175.510 -0.320 0.000 1.128 627 N CA -0.344 52.563 53.050 -0.238 0.000 0.867 627 N CB 0.388 38.760 38.487 -0.192 0.000 0.996 627 N HN 0.033 nan 8.380 nan 0.000 0.503 628 F N 1.865 121.575 119.950 -0.400 0.000 2.590 628 F HA 0.021 4.547 4.527 -0.002 0.000 0.389 628 F C 1.283 176.746 175.800 -0.561 0.000 1.049 628 F CA -0.488 57.136 58.000 -0.627 0.000 1.199 628 F CB 0.155 38.485 39.000 -1.116 0.000 1.058 628 F HN -0.220 nan 8.300 nan 0.000 0.556 629 S N 4.691 120.266 115.700 -0.209 0.000 2.532 629 S HA 0.581 5.050 4.470 -0.002 0.000 0.301 629 S C -1.581 173.126 174.600 0.178 0.000 1.083 629 S CA -0.571 57.562 58.200 -0.113 0.000 1.025 629 S CB 0.897 63.997 63.200 -0.168 0.000 1.056 629 S HN 0.526 nan 8.310 nan 0.000 0.494 630 W N 5.228 126.539 121.300 0.019 0.000 2.362 630 W HA 0.371 5.030 4.660 -0.002 0.000 0.316 630 W C 0.361 176.910 176.519 0.049 0.000 1.024 630 W CA -1.655 55.735 57.345 0.074 0.000 1.270 630 W CB 1.086 30.566 29.460 0.034 0.000 1.273 630 W HN 0.933 nan 8.180 nan 0.000 0.424 631 D N 2.975 123.532 120.400 0.261 0.000 2.117 631 D HA -0.237 4.402 4.640 -0.002 0.000 0.197 631 D C 1.739 177.954 176.300 -0.141 0.000 0.987 631 D CA 1.360 55.397 54.000 0.060 0.000 0.829 631 D CB -0.479 40.381 40.800 0.100 0.000 0.961 631 D HN 0.503 nan 8.370 nan 0.000 0.460 632 L N -0.111 120.893 121.223 -0.365 0.000 2.362 632 L HA 0.050 4.388 4.340 -0.002 0.000 0.219 632 L C 1.957 178.442 176.870 -0.642 0.000 1.134 632 L CA 0.894 55.438 54.840 -0.493 0.000 0.807 632 L CB -0.256 41.469 42.059 -0.556 0.000 0.927 632 L HN 0.096 nan 8.230 nan 0.000 0.447 633 A N -0.415 121.961 122.820 -0.740 0.000 2.577 633 A HA 0.442 4.761 4.320 -0.002 0.000 0.280 633 A C 1.442 178.895 177.584 -0.218 0.000 1.331 633 A CA 0.357 52.100 52.037 -0.490 0.000 0.935 633 A CB -0.412 18.318 19.000 -0.451 0.000 1.082 633 A HN 0.405 nan 8.150 nan 0.000 0.525 634 G N -1.280 107.417 108.800 -0.171 0.000 2.273 634 G HA2 0.093 4.052 3.960 -0.002 0.000 0.280 634 G HA3 0.093 4.052 3.960 -0.002 0.000 0.280 634 G C 1.501 176.391 174.900 -0.016 0.000 1.047 634 G CA 0.928 45.976 45.100 -0.086 0.000 0.869 634 G HN 2.132 nan 8.290 nan 0.000 0.502 635 G N -1.659 107.159 108.800 0.030 0.000 2.267 635 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.257 635 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.257 635 G C 0.585 175.607 174.900 0.202 0.000 0.998 635 G CA 1.073 46.241 45.100 0.112 0.000 0.620 635 G HN 1.314 nan 8.290 nan 0.000 0.529 636 Q N 0.606 120.498 119.800 0.154 0.000 2.375 636 Q HA 0.114 4.453 4.340 -0.002 0.000 0.344 636 Q C 0.027 176.247 176.000 0.366 0.000 1.169 636 Q CA 0.619 56.549 55.803 0.213 0.000 1.035 636 Q CB 0.162 28.957 28.738 0.096 0.000 1.222 636 Q HN 0.619 nan 8.270 nan 0.000 0.412 637 H N 1.598 120.709 119.070 0.069 0.000 2.580 637 H HA 0.225 4.780 4.556 -0.002 0.000 0.322 637 H C 0.131 175.498 175.328 0.064 0.000 1.082 637 H CA -0.520 55.563 56.048 0.059 0.000 1.383 637 H CB 0.316 30.097 29.762 0.031 0.000 1.450 637 H HN 0.447 nan 8.280 nan 0.000 0.505 638 L N 1.756 123.058 121.223 0.132 0.000 2.484 638 L HA -0.140 4.199 4.340 -0.002 0.000 0.297 638 L C 1.144 178.064 176.870 0.083 0.000 1.292 638 L CA 0.646 55.532 54.840 0.078 0.000 0.827 638 L CB 0.158 42.219 42.059 0.003 0.000 1.077 638 L HN 0.640 nan 8.230 nan 0.000 0.560 639 N N 0.086 118.813 118.700 0.045 0.000 2.476 639 N HA 0.189 4.928 4.740 -0.002 0.000 0.257 639 N C 0.435 175.938 175.510 -0.012 0.000 0.970 639 N CA 0.058 53.124 53.050 0.026 0.000 0.938 639 N CB 1.797 40.298 38.487 0.023 0.000 1.144 639 N HN 0.679 nan 8.380 nan 0.000 0.500 640 G N 3.115 111.906 108.800 -0.016 0.000 2.623 640 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.214 640 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.214 640 G C 1.419 176.264 174.900 -0.093 0.000 1.138 640 G CA 0.237 45.308 45.100 -0.048 0.000 0.794 640 G HN 0.619 nan 8.290 nan 0.000 0.535 641 I N 0.921 121.445 120.570 -0.078 0.000 2.296 641 I HA -0.071 4.098 4.170 -0.002 0.000 0.242 641 I C 2.073 178.149 176.117 -0.069 0.000 1.087 641 I CA 0.478 61.729 61.300 -0.083 0.000 1.393 641 I CB -0.086 37.873 38.000 -0.069 0.000 1.093 641 I HN -0.003 nan 8.210 nan 0.000 0.421 642 N N 0.569 119.239 118.700 -0.051 0.000 2.430 642 N HA -0.131 4.608 4.740 -0.002 0.000 0.186 642 N C 1.502 176.970 175.510 -0.070 0.000 1.032 642 N CA 1.776 54.798 53.050 -0.045 0.000 0.893 642 N CB -0.514 37.959 38.487 -0.023 0.000 0.957 642 N HN 0.470 nan 8.380 nan 0.000 0.442 643 T N -2.286 112.208 114.554 -0.100 0.000 3.069 643 T HA 0.172 4.521 4.350 -0.002 0.000 0.252 643 T C 1.678 176.267 174.700 -0.185 0.000 1.053 643 T CA -0.370 61.637 62.100 -0.155 0.000 0.964 643 T CB 0.073 68.817 68.868 -0.206 0.000 1.005 643 T HN -0.117 nan 8.240 nan 0.000 0.532 644 L N 2.947 124.086 121.223 -0.139 0.000 1.971 644 L HA 0.095 4.434 4.340 -0.002 0.000 0.215 644 L C 2.586 179.392 176.870 -0.107 0.000 1.072 644 L CA 2.191 56.949 54.840 -0.138 0.000 0.758 644 L CB -1.526 40.474 42.059 -0.097 0.000 0.889 644 L HN 0.401 nan 8.230 nan 0.000 0.433 645 G N -1.026 107.747 108.800 -0.044 0.000 2.553 645 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.218 645 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.218 645 G C 1.426 176.292 174.900 -0.056 0.000 1.195 645 G CA 0.782 45.894 45.100 0.020 0.000 0.779 645 G HN 0.441 nan 8.290 nan 0.000 0.577 646 E N 1.016 121.181 120.200 -0.058 0.000 2.106 646 E HA -0.070 4.279 4.350 -0.002 0.000 0.192 646 E C 2.558 179.101 176.600 -0.096 0.000 0.984 646 E CA 0.560 56.929 56.400 -0.053 0.000 0.806 646 E CB -0.374 29.280 29.700 -0.077 0.000 0.750 646 E HN 0.400 nan 8.360 nan 0.000 0.458 647 N N 1.178 119.747 118.700 -0.219 0.000 2.043 647 N HA -0.150 4.589 4.740 -0.002 0.000 0.193 647 N C 2.170 177.616 175.510 -0.107 0.000 1.037 647 N CA 0.865 53.730 53.050 -0.307 0.000 0.851 647 N CB -0.440 37.584 38.487 -0.771 0.000 1.027 647 N HN 0.182 nan 8.380 nan 0.000 0.422 648 I N 1.195 121.708 120.570 -0.094 0.000 2.264 648 I HA -0.252 3.917 4.170 -0.002 0.000 0.248 648 I C 2.091 178.233 176.117 0.042 0.000 1.111 648 I CA 1.092 62.394 61.300 0.003 0.000 1.382 648 I CB -0.056 37.975 38.000 0.051 0.000 1.060 648 I HN 0.117 nan 8.210 nan 0.000 0.418 649 A N -0.708 122.050 122.820 -0.104 0.000 2.132 649 A HA -0.094 4.225 4.320 -0.002 0.000 0.213 649 A C 1.828 179.406 177.584 -0.010 0.000 1.154 649 A CA 0.693 52.603 52.037 -0.211 0.000 0.753 649 A CB -0.244 18.250 19.000 -0.844 0.000 0.826 649 A HN 0.266 nan 8.150 nan 0.000 0.469 650 D N 0.857 121.339 120.400 0.136 0.000 2.087 650 D HA -0.156 4.483 4.640 -0.002 0.000 0.192 650 D C 1.557 178.006 176.300 0.248 0.000 0.993 650 D CA 1.233 55.423 54.000 0.316 0.000 0.828 650 D CB -0.284 40.697 40.800 0.302 0.000 0.968 650 D HN 0.366 nan 8.370 nan 0.000 0.448 651 N N 0.431 119.244 118.700 0.189 0.000 2.120 651 N HA -0.106 4.633 4.740 -0.002 0.000 0.188 651 N C 1.961 177.582 175.510 0.186 0.000 1.024 651 N CA 1.237 54.386 53.050 0.165 0.000 0.852 651 N CB -0.387 38.185 38.487 0.143 0.000 1.003 651 N HN 0.211 nan 8.380 nan 0.000 0.424 652 G N 0.524 109.457 108.800 0.221 0.000 2.433 652 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.216 652 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.216 652 G C 1.584 176.632 174.900 0.246 0.000 1.186 652 G CA 1.152 46.417 45.100 0.275 0.000 0.779 652 G HN 0.416 nan 8.290 nan 0.000 0.543 653 G N 0.487 109.427 108.800 0.233 0.000 2.408 653 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.217 653 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.217 653 G C 1.731 176.790 174.900 0.265 0.000 1.150 653 G CA 0.994 46.252 45.100 0.265 0.000 0.776 653 G HN 0.383 nan 8.290 nan 0.000 0.542 654 L N 1.518 122.865 121.223 0.206 0.000 1.976 654 L HA 0.147 4.485 4.340 -0.002 0.000 0.209 654 L C 2.865 179.884 176.870 0.249 0.000 1.071 654 L CA 2.544 57.462 54.840 0.131 0.000 0.746 654 L CB -1.126 40.854 42.059 -0.132 0.000 0.890 654 L HN 0.171 nan 8.230 nan 0.000 0.432 655 G N -1.682 107.241 108.800 0.204 0.000 2.459 655 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.217 655 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.217 655 G C 1.452 176.500 174.900 0.247 0.000 1.183 655 G CA 0.908 46.139 45.100 0.219 0.000 0.776 655 G HN 0.510 nan 8.290 nan 0.000 0.552 656 Q N -0.023 119.923 119.800 0.243 0.000 2.165 656 Q HA -0.277 4.062 4.340 -0.002 0.000 0.215 656 Q C 2.770 178.927 176.000 0.261 0.000 1.010 656 Q CA 2.649 58.600 55.803 0.248 0.000 0.896 656 Q CB -0.308 28.592 28.738 0.271 0.000 0.956 656 Q HN 0.540 nan 8.270 nan 0.000 0.413 657 A N -1.541 121.476 122.820 0.329 0.000 1.956 657 A HA -0.073 4.246 4.320 -0.002 0.000 0.212 657 A C 1.680 179.477 177.584 0.355 0.000 1.188 657 A CA 0.559 52.850 52.037 0.423 0.000 0.675 657 A CB -0.683 18.632 19.000 0.526 0.000 0.845 657 A HN 0.480 nan 8.150 nan 0.000 0.455 658 Y N 1.089 121.417 120.300 0.046 0.000 2.030 658 Y HA -0.337 4.212 4.550 -0.002 0.000 0.272 658 Y C 2.519 178.287 175.900 -0.220 0.000 1.185 658 Y CA 2.463 60.288 58.100 -0.458 0.000 1.120 658 Y CB -0.510 37.758 38.460 -0.321 0.000 0.955 658 Y HN 0.276 nan 8.280 nan 0.000 0.495 659 R N -0.388 120.128 120.500 0.026 0.000 2.103 659 R HA -0.222 4.116 4.340 -0.002 0.000 0.242 659 R C 2.507 178.759 176.300 -0.081 0.000 1.142 659 R CA 1.536 57.609 56.100 -0.045 0.000 0.960 659 R CB -0.804 29.531 30.300 0.060 0.000 0.858 659 R HN 0.469 nan 8.270 nan 0.000 0.439 660 A N -0.308 122.530 122.820 0.029 0.000 1.978 660 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 660 A C 1.933 179.379 177.584 -0.229 0.000 1.170 660 A CA 1.387 53.467 52.037 0.071 0.000 0.636 660 A CB -0.565 18.635 19.000 0.332 0.000 0.810 660 A HN 0.510 nan 8.150 nan 0.000 0.448 661 Y N -0.123 119.800 120.300 -0.629 0.000 2.347 661 Y HA -0.008 4.541 4.550 -0.001 0.000 0.294 661 Y C 2.379 177.925 175.900 -0.589 0.000 1.117 661 Y CA 1.463 58.938 58.100 -1.040 0.000 1.184 661 Y CB -0.504 37.347 38.460 -1.015 0.000 1.047 661 Y HN 0.423 nan 8.280 nan 0.000 0.546 662 Q N 0.295 119.693 119.800 -0.670 0.000 1.985 662 Q HA -0.266 4.073 4.340 -0.002 0.000 0.207 662 Q C 1.917 177.679 176.000 -0.398 0.000 0.996 662 Q CA 1.939 57.392 55.803 -0.583 0.000 0.851 662 Q CB -0.352 28.101 28.738 -0.474 0.000 0.921 662 Q HN 0.431 nan 8.270 nan 0.000 0.418 663 N N -0.254 118.290 118.700 -0.260 0.000 2.165 663 N HA -0.260 4.479 4.740 -0.002 0.000 0.198 663 N C 1.345 176.765 175.510 -0.150 0.000 0.999 663 N CA 1.592 54.550 53.050 -0.152 0.000 0.893 663 N CB -0.530 37.920 38.487 -0.062 0.000 1.025 663 N HN 0.380 nan 8.380 nan 0.000 0.456 664 Y N 0.919 121.000 120.300 -0.365 0.000 2.220 664 Y HA -0.102 4.447 4.550 -0.001 0.000 0.291 664 Y C 2.053 177.749 175.900 -0.339 0.000 1.129 664 Y CA 0.664 58.576 58.100 -0.314 0.000 1.161 664 Y CB -0.035 38.191 38.460 -0.391 0.000 0.997 664 Y HN -0.099 nan 8.280 nan 0.000 0.522 665 I N 1.033 121.348 120.570 -0.425 0.000 2.720 665 I HA -0.516 3.653 4.170 -0.002 0.000 0.208 665 I C 2.158 178.108 176.117 -0.277 0.000 0.908 665 I CA 2.267 63.351 61.300 -0.361 0.000 1.222 665 I CB -1.614 36.161 38.000 -0.375 0.000 0.933 665 I HN 0.325 nan 8.210 nan 0.000 0.360 666 K N 0.655 120.914 120.400 -0.234 0.000 2.015 666 K HA -0.279 4.040 4.320 -0.002 0.000 0.220 666 K C 1.968 178.461 176.600 -0.178 0.000 1.055 666 K CA 2.394 58.578 56.287 -0.172 0.000 0.951 666 K CB -0.512 31.905 32.500 -0.137 0.000 0.725 666 K HN 0.465 nan 8.250 nan 0.000 0.449 667 K N -0.081 120.194 120.400 -0.208 0.000 2.400 667 K HA 0.013 4.332 4.320 -0.002 0.000 0.194 667 K C 1.167 177.622 176.600 -0.242 0.000 1.033 667 K CA 0.661 56.838 56.287 -0.183 0.000 1.021 667 K CB 0.309 32.724 32.500 -0.141 0.000 0.808 667 K HN 0.089 nan 8.250 nan 0.000 0.505 668 N N 0.172 118.648 118.700 -0.374 0.000 2.297 668 N HA 0.085 4.824 4.740 -0.002 0.000 0.208 668 N C -0.083 175.267 175.510 -0.268 0.000 1.176 668 N CA 0.956 53.754 53.050 -0.420 0.000 0.882 668 N CB 1.415 39.352 38.487 -0.917 0.000 1.134 668 N HN 0.326 nan 8.380 nan 0.000 0.489 669 G N 2.019 110.676 108.800 -0.237 0.000 2.755 669 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.686 669 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.686 669 G C -0.528 174.328 174.900 -0.073 0.000 1.427 669 G CA -0.414 44.607 45.100 -0.133 0.000 0.873 669 G HN 0.298 nan 8.290 nan 0.000 0.580 670 E N 0.405 120.591 120.200 -0.023 0.000 2.404 670 E HA 0.497 4.846 4.350 -0.002 0.000 0.261 670 E C 0.964 177.640 176.600 0.128 0.000 1.074 670 E CA 0.424 56.860 56.400 0.060 0.000 0.917 670 E CB 0.334 30.064 29.700 0.050 0.000 0.965 670 E HN 0.673 nan 8.360 nan 0.000 0.433 671 E N 1.957 122.319 120.200 0.269 0.000 2.263 671 E HA 0.415 4.764 4.350 -0.002 0.000 0.264 671 E C -0.742 176.050 176.600 0.320 0.000 0.923 671 E CA -1.172 55.405 56.400 0.296 0.000 0.802 671 E CB 1.244 31.138 29.700 0.322 0.000 1.228 671 E HN 0.225 nan 8.360 nan 0.000 0.417 672 K N 1.282 121.821 120.400 0.231 0.000 2.401 672 K HA 0.101 4.420 4.320 -0.002 0.000 0.278 672 K C -0.330 176.346 176.600 0.127 0.000 1.018 672 K CA -0.361 56.008 56.287 0.135 0.000 0.981 672 K CB 0.315 32.877 32.500 0.104 0.000 0.933 672 K HN 0.254 nan 8.250 nan 0.000 0.477 673 L N 2.933 124.146 121.223 -0.016 0.000 2.466 673 L HA 0.248 4.587 4.340 -0.002 0.000 0.257 673 L C -0.055 176.827 176.870 0.020 0.000 1.189 673 L CA 0.092 54.873 54.840 -0.099 0.000 0.813 673 L CB 0.243 42.225 42.059 -0.128 0.000 1.118 673 L HN 0.381 nan 8.230 nan 0.000 0.471 674 L N 1.196 122.444 121.223 0.041 0.000 2.331 674 L HA 0.593 4.932 4.340 -0.002 0.000 0.275 674 L C -2.150 174.745 176.870 0.042 0.000 1.022 674 L CA -1.902 52.976 54.840 0.063 0.000 0.812 674 L CB 0.537 42.650 42.059 0.091 0.000 1.257 674 L HN 0.398 nan 8.230 nan 0.000 0.435 675 P HA 0.162 nan 4.420 nan 0.000 0.270 675 P C 0.846 178.164 177.300 0.031 0.000 1.221 675 P CA 0.643 63.760 63.100 0.028 0.000 0.788 675 P CB 0.662 32.377 31.700 0.024 0.000 0.904 676 G N -0.294 108.523 108.800 0.028 0.000 2.279 676 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.223 676 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.223 676 G C -0.290 174.631 174.900 0.035 0.000 1.015 676 G CA -0.265 44.851 45.100 0.027 0.000 0.621 676 G HN 0.491 nan 8.290 nan 0.000 0.506 677 L N 1.946 123.195 121.223 0.044 0.000 2.343 677 L HA 0.426 4.765 4.340 -0.002 0.000 0.278 677 L C -0.712 176.198 176.870 0.067 0.000 0.996 677 L CA -0.715 54.162 54.840 0.063 0.000 0.831 677 L CB 1.733 43.839 42.059 0.079 0.000 1.232 677 L HN 0.068 nan 8.230 nan 0.000 0.413 678 D N 6.601 127.047 120.400 0.077 0.000 2.801 678 D HA 0.290 4.929 4.640 -0.002 0.000 0.232 678 D C -0.480 175.874 176.300 0.090 0.000 1.128 678 D CA 0.383 54.426 54.000 0.071 0.000 1.003 678 D CB 0.217 41.060 40.800 0.072 0.000 1.110 678 D HN 0.258 nan 8.370 nan 0.000 0.477 679 L N 0.881 122.154 121.223 0.083 0.000 2.424 679 L HA 0.311 4.650 4.340 -0.002 0.000 0.258 679 L C 0.109 177.003 176.870 0.040 0.000 0.995 679 L CA -1.375 53.514 54.840 0.081 0.000 0.821 679 L CB 1.754 43.915 42.059 0.170 0.000 1.383 679 L HN -0.037 nan 8.230 nan 0.000 0.410 680 N N -1.291 117.419 118.700 0.017 0.000 2.434 680 N HA 0.145 4.884 4.740 -0.002 0.000 0.266 680 N C 0.642 176.220 175.510 0.114 0.000 1.223 680 N CA -0.246 52.810 53.050 0.010 0.000 0.972 680 N CB 0.418 38.915 38.487 0.016 0.000 1.207 680 N HN 0.508 nan 8.380 nan 0.000 0.525 681 H N 0.268 119.423 119.070 0.142 0.000 2.387 681 H HA -0.028 4.527 4.556 -0.002 0.000 0.299 681 H C 1.105 176.572 175.328 0.232 0.000 1.099 681 H CA 1.434 57.599 56.048 0.195 0.000 1.315 681 H CB 0.141 30.054 29.762 0.252 0.000 1.380 681 H HN 0.597 nan 8.280 nan 0.000 0.513 682 K N 0.619 121.220 120.400 0.335 0.000 2.063 682 K HA -0.186 4.133 4.320 -0.002 0.000 0.208 682 K C 2.142 178.953 176.600 0.352 0.000 1.048 682 K CA 1.687 58.158 56.287 0.307 0.000 0.928 682 K CB -0.070 32.556 32.500 0.210 0.000 0.713 682 K HN 0.581 nan 8.250 nan 0.000 0.442 683 Q N 0.821 120.788 119.800 0.278 0.000 2.083 683 Q HA -0.029 4.310 4.340 -0.002 0.000 0.198 683 Q C 2.300 178.662 176.000 0.603 0.000 0.969 683 Q CA 0.781 56.823 55.803 0.397 0.000 0.838 683 Q CB -0.418 28.213 28.738 -0.179 0.000 0.900 683 Q HN 0.220 nan 8.270 nan 0.000 0.436 684 L N 0.483 121.968 121.223 0.436 0.000 2.089 684 L HA -0.227 4.112 4.340 -0.002 0.000 0.213 684 L C 2.481 179.569 176.870 0.363 0.000 1.079 684 L CA 1.538 56.613 54.840 0.392 0.000 0.758 684 L CB -0.695 41.571 42.059 0.345 0.000 0.891 684 L HN 0.206 nan 8.230 nan 0.000 0.433 685 F N 0.513 120.566 119.950 0.171 0.000 2.065 685 F HA -0.319 4.207 4.527 -0.001 0.000 0.298 685 F C 2.216 178.139 175.800 0.205 0.000 1.112 685 F CA 1.850 59.862 58.000 0.021 0.000 1.212 685 F CB -0.373 38.537 39.000 -0.151 0.000 0.975 685 F HN -0.139 nan 8.300 nan 0.000 0.476 686 F N -0.501 119.762 119.950 0.523 0.000 2.259 686 F HA -0.154 4.372 4.527 -0.002 0.000 0.298 686 F C 2.369 178.529 175.800 0.600 0.000 1.088 686 F CA 0.262 58.586 58.000 0.540 0.000 1.358 686 F CB -0.282 39.114 39.000 0.659 0.000 1.040 686 F HN 0.012 nan 8.300 nan 0.000 0.505 687 L N 0.347 122.019 121.223 0.749 0.000 1.989 687 L HA -0.321 4.018 4.340 -0.002 0.000 0.211 687 L C 2.265 179.322 176.870 0.313 0.000 1.071 687 L CA 1.926 57.095 54.840 0.549 0.000 0.749 687 L CB -0.761 41.553 42.059 0.425 0.000 0.890 687 L HN 0.265 nan 8.230 nan 0.000 0.431 688 N N -0.752 118.062 118.700 0.191 0.000 2.142 688 N HA -0.243 4.496 4.740 -0.002 0.000 0.186 688 N C 1.974 177.487 175.510 0.007 0.000 1.023 688 N CA 1.318 54.380 53.050 0.021 0.000 0.852 688 N CB -0.089 38.366 38.487 -0.053 0.000 0.998 688 N HN 0.239 nan 8.380 nan 0.000 0.424 689 F N 2.009 121.939 119.950 -0.033 0.000 2.043 689 F HA -0.297 4.229 4.527 -0.002 0.000 0.297 689 F C 2.380 178.291 175.800 0.186 0.000 1.118 689 F CA 1.989 60.016 58.000 0.044 0.000 1.202 689 F CB -0.464 38.594 39.000 0.096 0.000 0.965 689 F HN 0.022 nan 8.300 nan 0.000 0.482 690 A N -0.364 122.597 122.820 0.234 0.000 1.917 690 A HA -0.289 4.030 4.320 -0.002 0.000 0.219 690 A C 2.160 179.768 177.584 0.040 0.000 1.182 690 A CA 2.096 54.262 52.037 0.215 0.000 0.633 690 A CB -0.951 18.342 19.000 0.489 0.000 0.819 690 A HN 0.676 nan 8.150 nan 0.000 0.448 691 Q N -0.925 118.846 119.800 -0.049 0.000 2.269 691 Q HA 0.006 4.345 4.340 -0.002 0.000 0.201 691 Q C 1.934 177.771 176.000 -0.273 0.000 0.946 691 Q CA 0.730 56.449 55.803 -0.140 0.000 0.877 691 Q CB -0.091 28.567 28.738 -0.132 0.000 0.963 691 Q HN 0.450 nan 8.270 nan 0.000 0.472 692 V N -0.330 119.342 119.914 -0.404 0.000 2.418 692 V HA -0.278 3.841 4.120 -0.002 0.000 0.258 692 V C 0.805 176.577 176.094 -0.537 0.000 1.088 692 V CA 1.921 63.828 62.300 -0.654 0.000 1.091 692 V CB -0.348 30.897 31.823 -0.962 0.000 0.669 692 V HN 0.540 nan 8.190 nan 0.000 0.461 693 W N -2.933 118.269 121.300 -0.163 0.000 2.846 693 W HA 0.357 5.015 4.660 -0.002 0.000 0.391 693 W C 0.781 177.265 176.519 -0.058 0.000 1.011 693 W CA -0.963 56.316 57.345 -0.111 0.000 1.832 693 W CB -0.060 29.316 29.460 -0.140 0.000 1.151 693 W HN 0.025 nan 8.180 nan 0.000 0.582 694 c N 2.232 120.808 118.600 -0.040 0.000 2.538 694 c HA 0.500 5.069 4.570 -0.002 0.000 0.408 694 c C 1.240 174.978 174.090 -0.587 0.000 1.421 694 c CA 1.140 57.302 56.329 -0.278 0.000 1.642 694 c CB -0.969 41.154 42.510 -0.645 0.000 2.553 694 c HN 0.653 nan 8.230 nan 0.000 0.604 695 G N 2.420 111.055 108.800 -0.275 0.000 2.340 695 G HA2 0.463 4.422 3.960 -0.002 0.000 0.282 695 G HA3 0.463 4.422 3.960 -0.002 0.000 0.282 695 G C -0.869 174.234 174.900 0.338 0.000 1.312 695 G CA 0.317 45.230 45.100 -0.311 0.000 0.942 695 G HN 0.934 nan 8.290 nan 0.000 0.495 696 T N -2.212 112.571 114.554 0.382 0.000 2.645 696 T HA 0.751 5.100 4.350 -0.002 0.000 0.300 696 T C -2.148 172.750 174.700 0.330 0.000 1.210 696 T CA -0.478 61.908 62.100 0.477 0.000 1.034 696 T CB 1.386 70.540 68.868 0.476 0.000 1.537 696 T HN 1.091 nan 8.240 nan 0.000 0.492 697 Y N 0.439 120.935 120.300 0.327 0.000 2.482 697 Y HA 0.550 5.099 4.550 -0.002 0.000 0.334 697 Y C 0.253 176.265 175.900 0.186 0.000 1.091 697 Y CA -1.008 57.276 58.100 0.307 0.000 1.027 697 Y CB 1.832 40.503 38.460 0.351 0.000 1.306 697 Y HN 0.531 nan 8.280 nan 0.000 0.446 698 R N 3.807 124.509 120.500 0.336 0.000 2.539 698 R HA 0.188 4.527 4.340 -0.002 0.000 0.275 698 R C -1.906 174.478 176.300 0.140 0.000 1.077 698 R CA -1.480 54.740 56.100 0.199 0.000 1.097 698 R CB 0.455 30.858 30.300 0.171 0.000 1.018 698 R HN 0.377 nan 8.270 nan 0.000 0.483 699 P HA -0.193 nan 4.420 nan 0.000 0.215 699 P C 0.426 177.687 177.300 -0.065 0.000 1.157 699 P CA 1.384 64.438 63.100 -0.077 0.000 0.874 699 P CB 0.277 31.937 31.700 -0.067 0.000 0.790 700 E N -2.082 118.127 120.200 0.014 0.000 2.110 700 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 700 E C 1.887 178.541 176.600 0.089 0.000 0.988 700 E CA 1.057 57.472 56.400 0.025 0.000 0.804 700 E CB -0.789 28.936 29.700 0.042 0.000 0.745 700 E HN 0.422 nan 8.360 nan 0.000 0.458 701 Y N -0.276 120.050 120.300 0.043 0.000 2.490 701 Y HA 0.152 4.700 4.550 -0.002 0.000 0.285 701 Y C 2.010 177.992 175.900 0.136 0.000 1.117 701 Y CA 0.520 58.696 58.100 0.126 0.000 1.262 701 Y CB 0.136 38.749 38.460 0.255 0.000 1.043 701 Y HN 0.043 nan 8.280 nan 0.000 0.553 702 A N -0.184 122.545 122.820 -0.152 0.000 1.877 702 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 702 A C 2.207 179.572 177.584 -0.365 0.000 1.186 702 A CA 1.885 53.598 52.037 -0.540 0.000 0.620 702 A CB -1.280 17.111 19.000 -1.016 0.000 0.822 702 A HN 0.295 nan 8.150 nan 0.000 0.443 703 V N 0.817 120.580 119.914 -0.253 0.000 2.278 703 V HA -0.369 3.750 4.120 -0.002 0.000 0.251 703 V C 2.405 178.491 176.094 -0.014 0.000 1.062 703 V CA 2.552 64.775 62.300 -0.128 0.000 1.038 703 V CB -1.107 30.636 31.823 -0.134 0.000 0.646 703 V HN 0.823 nan 8.190 nan 0.000 0.447 704 N N -0.499 118.190 118.700 -0.018 0.000 2.062 704 N HA -0.208 4.531 4.740 -0.002 0.000 0.191 704 N C 2.171 177.637 175.510 -0.075 0.000 1.042 704 N CA 1.429 54.503 53.050 0.041 0.000 0.845 704 N CB -0.171 38.347 38.487 0.052 0.000 1.024 704 N HN 0.443 nan 8.380 nan 0.000 0.424 705 S N 0.764 116.263 115.700 -0.335 0.000 2.372 705 S HA -0.184 4.285 4.470 -0.002 0.000 0.227 705 S C 2.000 176.603 174.600 0.005 0.000 1.044 705 S CA 1.207 59.271 58.200 -0.226 0.000 1.050 705 S CB -0.658 62.389 63.200 -0.254 0.000 0.901 705 S HN 0.422 nan 8.310 nan 0.000 0.447 706 I N 0.604 121.225 120.570 0.086 0.000 2.567 706 I HA -0.113 4.056 4.170 -0.002 0.000 0.257 706 I C 1.730 177.900 176.117 0.089 0.000 1.184 706 I CA 1.117 62.503 61.300 0.144 0.000 1.451 706 I CB -0.082 38.037 38.000 0.198 0.000 1.089 706 I HN 0.301 nan 8.210 nan 0.000 0.441 707 K N -0.500 119.951 120.400 0.084 0.000 2.353 707 K HA 0.154 4.473 4.320 -0.002 0.000 0.195 707 K C 1.443 178.086 176.600 0.071 0.000 1.031 707 K CA 0.884 57.223 56.287 0.086 0.000 1.079 707 K CB 0.330 32.904 32.500 0.122 0.000 0.857 707 K HN 0.367 nan 8.250 nan 0.000 0.535 708 T N -2.960 111.634 114.554 0.066 0.000 2.969 708 T HA 0.112 4.461 4.350 -0.002 0.000 0.258 708 T C 0.376 175.125 174.700 0.082 0.000 0.962 708 T CA -0.372 61.771 62.100 0.072 0.000 0.903 708 T CB 0.421 69.342 68.868 0.088 0.000 1.177 708 T HN -0.175 nan 8.240 nan 0.000 0.511 709 D N 1.918 122.366 120.400 0.080 0.000 2.264 709 D HA 0.323 4.962 4.640 -0.002 0.000 0.249 709 D C 1.344 177.676 176.300 0.052 0.000 1.070 709 D CA -0.243 53.824 54.000 0.113 0.000 0.912 709 D CB 2.212 43.100 40.800 0.147 0.000 1.193 709 D HN 0.123 nan 8.370 nan 0.000 0.427 710 V N 0.463 120.392 119.914 0.024 0.000 3.661 710 V HA 0.244 4.363 4.120 -0.002 0.000 0.271 710 V C 0.229 176.174 176.094 -0.248 0.000 1.315 710 V CA 0.187 62.421 62.300 -0.110 0.000 1.072 710 V CB -0.881 30.857 31.823 -0.142 0.000 0.830 710 V HN 0.387 nan 8.190 nan 0.000 0.443 711 H N 1.208 120.269 119.070 -0.015 0.000 2.652 711 H HA 0.566 5.121 4.556 -0.002 0.000 0.349 711 H C 0.853 176.094 175.328 -0.146 0.000 1.099 711 H CA 0.214 56.211 56.048 -0.086 0.000 1.417 711 H CB 0.556 30.252 29.762 -0.110 0.000 1.457 711 H HN 0.256 nan 8.280 nan 0.000 0.568 712 S N 4.342 119.975 115.700 -0.113 0.000 2.553 712 S HA -0.020 4.449 4.470 -0.002 0.000 0.293 712 S C -1.918 172.528 174.600 -0.256 0.000 1.296 712 S CA -0.896 57.194 58.200 -0.184 0.000 1.046 712 S CB 0.014 63.121 63.200 -0.156 0.000 0.810 712 S HN 0.600 nan 8.310 nan 0.000 0.505 713 P HA 0.066 nan 4.420 nan 0.000 0.268 713 P C 0.972 177.993 177.300 -0.465 0.000 1.208 713 P CA -0.097 62.705 63.100 -0.496 0.000 0.777 713 P CB 0.312 31.350 31.700 -1.104 0.000 0.875 714 G N 2.767 111.340 108.800 -0.378 0.000 2.422 714 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.218 714 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.218 714 G C 1.280 175.821 174.900 -0.597 0.000 1.146 714 G CA 0.528 45.319 45.100 -0.514 0.000 0.769 714 G HN 0.648 nan 8.290 nan 0.000 0.547 715 N N 0.942 119.126 118.700 -0.861 0.000 2.166 715 N HA -0.110 4.629 4.740 -0.002 0.000 0.186 715 N C 1.708 176.598 175.510 -1.034 0.000 1.019 715 N CA 1.179 53.370 53.050 -1.433 0.000 0.856 715 N CB -0.885 36.416 38.487 -1.977 0.000 0.993 715 N HN 0.406 nan 8.380 nan 0.000 0.426 716 F N 0.661 120.215 119.950 -0.660 0.000 2.743 716 F HA 0.297 4.822 4.527 -0.002 0.000 0.297 716 F C 2.358 178.033 175.800 -0.209 0.000 1.131 716 F CA -0.230 57.432 58.000 -0.564 0.000 1.426 716 F CB 0.142 38.710 39.000 -0.719 0.000 1.116 716 F HN -0.100 nan 8.300 nan 0.000 0.583 717 R N 0.249 120.644 120.500 -0.174 0.000 2.115 717 R HA -0.096 4.243 4.340 -0.002 0.000 0.230 717 R C 2.001 178.312 176.300 0.019 0.000 1.111 717 R CA 1.155 57.177 56.100 -0.129 0.000 0.976 717 R CB -0.289 29.629 30.300 -0.637 0.000 0.870 717 R HN 0.355 nan 8.270 nan 0.000 0.445 718 I N 0.145 120.664 120.570 -0.085 0.000 2.235 718 I HA -0.189 3.980 4.170 -0.002 0.000 0.241 718 I C 2.179 178.309 176.117 0.023 0.000 1.085 718 I CA 1.259 62.609 61.300 0.083 0.000 1.378 718 I CB -0.105 37.939 38.000 0.073 0.000 1.076 718 I HN 0.094 nan 8.210 nan 0.000 0.415 719 I N 0.600 121.116 120.570 -0.090 0.000 2.333 719 I HA -0.097 4.072 4.170 -0.002 0.000 0.246 719 I C 2.621 178.685 176.117 -0.088 0.000 1.106 719 I CA 1.178 62.407 61.300 -0.118 0.000 1.411 719 I CB -0.499 37.428 38.000 -0.121 0.000 1.082 719 I HN 0.162 nan 8.210 nan 0.000 0.420 720 G N -0.111 108.689 108.800 0.000 0.000 2.459 720 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.217 720 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.217 720 G C 1.677 176.551 174.900 -0.043 0.000 1.183 720 G CA 1.623 46.647 45.100 -0.127 0.000 0.776 720 G HN 0.262 nan 8.290 nan 0.000 0.552 721 T N 1.017 115.629 114.554 0.096 0.000 2.812 721 T HA 0.004 4.353 4.350 -0.002 0.000 0.264 721 T C 2.484 177.130 174.700 -0.091 0.000 1.042 721 T CA 0.917 63.072 62.100 0.092 0.000 1.140 721 T CB -0.151 68.853 68.868 0.226 0.000 0.870 721 T HN 0.106 nan 8.240 nan 0.000 0.445 722 L N 0.982 122.058 121.223 -0.246 0.000 2.056 722 L HA -0.053 4.286 4.340 -0.002 0.000 0.207 722 L C 2.683 179.212 176.870 -0.570 0.000 1.078 722 L CA 1.424 55.848 54.840 -0.694 0.000 0.749 722 L CB -0.598 40.733 42.059 -1.212 0.000 0.901 722 L HN 0.210 nan 8.230 nan 0.000 0.433 723 Q N -0.312 119.258 119.800 -0.384 0.000 2.376 723 Q HA -0.176 4.163 4.340 -0.002 0.000 0.211 723 Q C 1.006 176.893 176.000 -0.188 0.000 0.986 723 Q CA 0.904 56.534 55.803 -0.289 0.000 0.886 723 Q CB -0.094 28.484 28.738 -0.268 0.000 0.927 723 Q HN 0.496 nan 8.270 nan 0.000 0.457 724 N N -0.758 117.849 118.700 -0.154 0.000 2.184 724 N HA 0.031 4.770 4.740 -0.002 0.000 0.206 724 N C -0.682 174.804 175.510 -0.039 0.000 1.151 724 N CA 0.144 53.147 53.050 -0.077 0.000 0.878 724 N CB 1.180 39.644 38.487 -0.039 0.000 1.014 724 N HN -0.120 nan 8.380 nan 0.000 0.512 725 S N 0.237 115.903 115.700 -0.056 0.000 2.461 725 S HA 0.557 5.026 4.470 -0.002 0.000 0.322 725 S C 1.088 175.725 174.600 0.062 0.000 1.063 725 S CA -0.550 57.658 58.200 0.013 0.000 1.120 725 S CB 0.968 64.177 63.200 0.016 0.000 0.968 725 S HN 0.280 nan 8.310 nan 0.000 0.467 726 A N 4.729 127.581 122.820 0.053 0.000 1.865 726 A HA -0.067 4.251 4.320 -0.002 0.000 0.217 726 A C 1.833 179.456 177.584 0.064 0.000 1.191 726 A CA 1.768 53.840 52.037 0.058 0.000 0.623 726 A CB -0.839 18.194 19.000 0.054 0.000 0.826 726 A HN 0.754 nan 8.150 nan 0.000 0.444 727 E N -0.771 119.457 120.200 0.047 0.000 2.187 727 E HA -0.189 4.160 4.350 -0.002 0.000 0.199 727 E C 1.428 178.107 176.600 0.132 0.000 1.004 727 E CA 1.192 57.574 56.400 -0.030 0.000 0.813 727 E CB -0.573 28.687 29.700 -0.732 0.000 0.736 727 E HN 0.742 nan 8.360 nan 0.000 0.468 728 F N 0.678 120.583 119.950 -0.074 0.000 1.992 728 F HA -0.169 4.357 4.527 -0.002 0.000 0.292 728 F C 2.361 178.005 175.800 -0.259 0.000 1.192 728 F CA 1.639 59.307 58.000 -0.553 0.000 1.157 728 F CB -0.557 38.002 39.000 -0.736 0.000 0.981 728 F HN -0.155 nan 8.300 nan 0.000 0.483 729 S N -0.169 115.395 115.700 -0.227 0.000 2.584 729 S HA -0.166 4.303 4.470 -0.002 0.000 0.240 729 S C 1.619 176.102 174.600 -0.195 0.000 0.975 729 S CA 1.003 59.045 58.200 -0.264 0.000 0.949 729 S CB -0.621 62.620 63.200 0.068 0.000 0.761 729 S HN 0.522 nan 8.310 nan 0.000 0.536 730 E N 2.247 122.358 120.200 -0.147 0.000 2.042 730 E HA 0.140 4.489 4.350 -0.002 0.000 0.189 730 E C 2.044 178.474 176.600 -0.284 0.000 0.974 730 E CA 1.349 57.692 56.400 -0.096 0.000 0.806 730 E CB -0.938 28.768 29.700 0.011 0.000 0.769 730 E HN 0.254 nan 8.360 nan 0.000 0.451 731 A N -0.346 122.331 122.820 -0.238 0.000 1.971 731 A HA -0.188 4.131 4.320 -0.002 0.000 0.222 731 A C 1.737 178.841 177.584 -0.799 0.000 1.182 731 A CA 1.917 53.751 52.037 -0.338 0.000 0.649 731 A CB -0.747 18.286 19.000 0.054 0.000 0.818 731 A HN 0.371 nan 8.150 nan 0.000 0.458 732 F N -2.035 117.499 119.950 -0.693 0.000 2.735 732 F HA 0.270 4.796 4.527 -0.002 0.000 0.308 732 F C 0.068 175.661 175.800 -0.345 0.000 1.112 732 F CA -0.283 57.391 58.000 -0.543 0.000 1.235 732 F CB -0.127 38.492 39.000 -0.635 0.000 1.027 732 F HN 0.390 nan 8.300 nan 0.000 0.528 733 H N -1.240 117.799 119.070 -0.052 0.000 2.631 733 H HA -0.203 4.352 4.556 -0.002 0.000 0.322 733 H C -0.565 174.763 175.328 0.000 0.000 1.035 733 H CA -0.131 55.903 56.048 -0.023 0.000 1.070 733 H CB -1.721 28.031 29.762 -0.016 0.000 1.622 733 H HN 0.162 nan 8.280 nan 0.000 0.373 734 c N 2.275 120.914 118.600 0.064 0.000 2.281 734 c HA 0.350 4.919 4.570 -0.002 0.000 0.325 734 c C 1.207 175.335 174.090 0.064 0.000 1.282 734 c CA -0.935 55.429 56.329 0.059 0.000 1.640 734 c CB 0.664 43.195 42.510 0.034 0.000 2.288 734 c HN 0.656 nan 8.230 nan 0.000 0.507 735 R N 2.320 122.860 120.500 0.067 0.000 2.523 735 R HA 0.028 4.367 4.340 -0.002 0.000 0.281 735 R C 0.373 176.704 176.300 0.051 0.000 0.969 735 R CA 0.592 56.726 56.100 0.056 0.000 1.093 735 R CB 0.186 30.518 30.300 0.055 0.000 0.917 735 R HN 0.591 nan 8.270 nan 0.000 0.408 736 K N 3.000 123.424 120.400 0.041 0.000 2.616 736 K HA -0.304 4.015 4.320 -0.002 0.000 0.276 736 K C 0.569 177.191 176.600 0.037 0.000 0.979 736 K CA 1.113 57.420 56.287 0.033 0.000 1.055 736 K CB 0.062 32.577 32.500 0.025 0.000 0.826 736 K HN 0.655 nan 8.250 nan 0.000 0.490 737 N N 0.387 119.104 118.700 0.028 0.000 2.644 737 N HA -0.207 4.532 4.740 -0.002 0.000 0.248 737 N C -1.204 174.341 175.510 0.059 0.000 1.150 737 N CA 1.307 54.377 53.050 0.032 0.000 0.727 737 N CB -1.055 37.449 38.487 0.028 0.000 1.091 737 N HN 0.565 nan 8.380 nan 0.000 0.556 738 S N -0.051 115.690 115.700 0.069 0.000 2.552 738 S HA -0.073 4.396 4.470 -0.002 0.000 0.289 738 S C 1.252 175.919 174.600 0.112 0.000 1.304 738 S CA -0.244 58.019 58.200 0.105 0.000 1.063 738 S CB 0.617 63.880 63.200 0.104 0.000 0.848 738 S HN 0.411 nan 8.310 nan 0.000 0.499 739 Y N 2.834 123.162 120.300 0.048 0.000 2.256 739 Y HA -0.160 4.389 4.550 -0.002 0.000 0.288 739 Y C 1.705 177.628 175.900 0.038 0.000 1.155 739 Y CA 1.523 59.650 58.100 0.044 0.000 1.203 739 Y CB -0.135 38.356 38.460 0.053 0.000 0.980 739 Y HN 0.552 nan 8.280 nan 0.000 0.530 740 M N 0.206 119.799 119.600 -0.011 0.000 2.628 740 M HA 0.037 4.516 4.480 -0.002 0.000 0.232 740 M C 0.164 176.421 176.300 -0.071 0.000 1.128 740 M CA 0.740 55.970 55.300 -0.117 0.000 1.040 740 M CB -0.910 31.742 32.600 0.086 0.000 1.608 740 M HN 0.371 nan 8.290 nan 0.000 0.507 741 N N 0.890 119.564 118.700 -0.043 0.000 2.646 741 N HA 0.250 4.989 4.740 -0.002 0.000 0.296 741 N C -2.919 172.575 175.510 -0.025 0.000 1.886 741 N CA -1.255 51.793 53.050 -0.003 0.000 0.855 741 N CB 1.034 39.553 38.487 0.054 0.000 1.336 741 N HN -0.048 nan 8.380 nan 0.000 0.496 742 P HA 0.140 nan 4.420 nan 0.000 0.278 742 P C 0.695 177.967 177.300 -0.047 0.000 1.238 742 P CA -0.241 62.822 63.100 -0.061 0.000 0.794 742 P CB 1.288 32.924 31.700 -0.106 0.000 0.955 743 E N 2.568 122.748 120.200 -0.032 0.000 2.047 743 E HA -0.174 4.175 4.350 -0.002 0.000 0.191 743 E C 0.432 177.011 176.600 -0.035 0.000 0.987 743 E CA 1.038 57.424 56.400 -0.024 0.000 0.799 743 E CB -0.056 29.633 29.700 -0.017 0.000 0.752 743 E HN 0.318 nan 8.360 nan 0.000 0.449 744 K N 1.375 121.748 120.400 -0.046 0.000 2.416 744 K HA -0.004 4.315 4.320 -0.002 0.000 0.283 744 K C -0.861 175.699 176.600 -0.068 0.000 1.037 744 K CA 0.500 56.754 56.287 -0.055 0.000 0.995 744 K CB 0.392 32.854 32.500 -0.064 0.000 0.938 744 K HN -0.191 nan 8.250 nan 0.000 0.475 745 K N 4.514 124.878 120.400 -0.060 0.000 2.541 745 K HA 0.268 4.587 4.320 -0.002 0.000 0.250 745 K C -1.257 175.305 176.600 -0.065 0.000 0.950 745 K CA -0.877 55.372 56.287 -0.064 0.000 0.805 745 K CB 1.686 34.159 32.500 -0.045 0.000 1.166 745 K HN 0.569 nan 8.250 nan 0.000 0.430 746 c N 2.271 120.826 118.600 -0.075 0.000 2.514 746 c HA 0.452 5.021 4.570 -0.002 0.000 0.392 746 c C 0.506 174.550 174.090 -0.076 0.000 1.294 746 c CA -0.283 55.993 56.329 -0.088 0.000 1.957 746 c CB -0.385 42.075 42.510 -0.082 0.000 2.541 746 c HN 0.840 nan 8.230 nan 0.000 0.569 747 R N 1.867 122.299 120.500 -0.113 0.000 2.668 747 R HA 0.642 4.981 4.340 -0.002 0.000 0.272 747 R C -0.179 175.995 176.300 -0.209 0.000 1.019 747 R CA -0.322 55.724 56.100 -0.090 0.000 0.894 747 R CB 1.440 31.724 30.300 -0.028 0.000 1.228 747 R HN 0.537 nan 8.270 nan 0.000 0.460 748 V N 1.145 120.953 119.914 -0.177 0.000 3.161 748 V HA 0.585 4.704 4.120 -0.002 0.000 0.228 748 V C -0.783 175.225 176.094 -0.144 0.000 1.415 748 V CA 0.003 62.074 62.300 -0.381 0.000 1.285 748 V CB 0.042 31.488 31.823 -0.629 0.000 1.100 748 V HN 0.616 nan 8.190 nan 0.000 0.478 749 W N 0.000 121.438 121.300 0.231 0.000 2.388 749 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 749 W CA 0.000 57.486 57.345 0.235 0.000 1.226 749 W CB 0.000 29.612 29.460 0.254 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535