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 1ryy_1_D DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVXXXX XQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSAEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.049 56.048 0.001 0.000 1.023 50 H CB 0.000 29.763 29.762 0.001 0.000 1.292 51 D N 3.236 123.600 120.400 -0.060 0.000 2.316 51 D HA 0.156 4.797 4.640 0.001 0.000 0.245 51 D C -1.428 174.807 176.300 -0.109 0.000 1.171 51 D CA -1.841 52.097 54.000 -0.103 0.000 0.856 51 D CB 1.713 42.497 40.800 -0.026 0.000 1.090 51 D HN 0.322 nan 8.370 nan 0.000 0.476 52 P HA -0.055 nan 4.420 nan 0.000 0.223 52 P C 1.446 178.730 177.300 -0.027 0.000 1.151 52 P CA 0.479 63.523 63.100 -0.093 0.000 0.787 52 P CB 0.459 32.094 31.700 -0.109 0.000 0.788 53 L N -1.587 119.619 121.223 -0.028 0.000 2.591 53 L HA 0.111 4.451 4.340 0.001 0.000 0.228 53 L C 1.905 178.776 176.870 0.001 0.000 1.133 53 L CA 0.575 55.408 54.840 -0.011 0.000 0.880 53 L CB -0.210 41.840 42.059 -0.014 0.000 1.033 53 L HN -0.031 nan 8.230 nan 0.000 0.450 54 S N -1.887 113.819 115.700 0.010 0.000 3.171 54 S HA 0.181 4.652 4.470 0.001 0.000 0.258 54 S C 0.388 175.011 174.600 0.038 0.000 1.083 54 S CA -0.211 58.001 58.200 0.020 0.000 0.801 54 S CB 0.948 64.159 63.200 0.019 0.000 0.831 54 S HN -0.064 nan 8.310 nan 0.000 0.462 55 V N 3.297 123.251 119.914 0.066 0.000 2.370 55 V HA 0.587 4.708 4.120 0.001 0.000 0.279 55 V C -0.486 175.684 176.094 0.127 0.000 1.029 55 V CA -0.482 61.881 62.300 0.105 0.000 0.870 55 V CB 1.151 33.075 31.823 0.169 0.000 0.984 55 V HN 0.302 nan 8.190 nan 0.000 0.451 56 Q N 3.392 123.239 119.800 0.079 0.000 2.368 56 Q HA 0.421 4.762 4.340 0.001 0.000 0.263 56 Q C 0.529 176.559 176.000 0.050 0.000 1.009 56 Q CA -0.083 55.761 55.803 0.069 0.000 0.818 56 Q CB 1.680 30.443 28.738 0.041 0.000 1.239 56 Q HN 0.874 nan 8.270 nan 0.000 0.464 57 T N 0.011 114.600 114.554 0.058 0.000 3.054 57 T HA 0.419 4.770 4.350 0.001 0.000 0.255 57 T C 0.766 175.477 174.700 0.018 0.000 1.035 57 T CA 0.179 62.285 62.100 0.010 0.000 0.941 57 T CB 0.581 69.420 68.868 -0.048 0.000 1.026 57 T HN 0.476 nan 8.240 nan 0.000 0.533 58 G N 1.052 109.873 108.800 0.035 0.000 2.940 58 G HA2 0.554 4.515 3.960 0.001 0.000 0.164 58 G HA3 0.554 4.515 3.960 0.001 0.000 0.164 58 G C -0.839 174.073 174.900 0.020 0.000 1.326 58 G CA -0.578 44.538 45.100 0.027 0.000 1.020 58 G HN 0.309 nan 8.290 nan 0.000 0.586 59 S N -1.257 114.454 115.700 0.018 0.000 2.565 59 S HA 0.377 4.848 4.470 0.001 0.000 0.290 59 S C 0.015 174.623 174.600 0.015 0.000 1.150 59 S CA -0.542 57.667 58.200 0.014 0.000 1.058 59 S CB 1.543 64.749 63.200 0.012 0.000 1.032 59 S HN 0.346 nan 8.310 nan 0.000 0.510 60 D N 2.238 122.645 120.400 0.013 0.000 2.349 60 D HA 0.224 4.865 4.640 0.001 0.000 0.215 60 D C -0.059 176.248 176.300 0.010 0.000 1.016 60 D CA 0.382 54.389 54.000 0.012 0.000 0.870 60 D CB 0.007 40.813 40.800 0.011 0.000 0.917 60 D HN 0.483 nan 8.370 nan 0.000 0.524 61 I N 2.266 122.842 120.570 0.010 0.000 2.352 61 I HA 0.140 4.311 4.170 0.001 0.000 0.290 61 I C -1.981 174.142 176.117 0.010 0.000 1.036 61 I CA -1.683 59.623 61.300 0.010 0.000 1.336 61 I CB 0.908 38.914 38.000 0.009 0.000 1.407 61 I HN -0.268 nan 8.210 nan 0.000 0.497 62 P HA 0.056 nan 4.420 nan 0.000 0.267 62 P C 0.461 177.767 177.300 0.010 0.000 1.205 62 P CA -0.112 62.994 63.100 0.010 0.000 0.765 62 P CB 1.000 32.706 31.700 0.009 0.000 0.828 63 A N 2.461 125.287 122.820 0.010 0.000 1.948 63 A HA -0.088 4.233 4.320 0.001 0.000 0.220 63 A C 1.179 178.770 177.584 0.011 0.000 1.177 63 A CA 1.788 53.831 52.037 0.011 0.000 0.636 63 A CB -0.462 18.545 19.000 0.010 0.000 0.815 63 A HN 0.551 nan 8.150 nan 0.000 0.449 64 S N -1.591 114.115 115.700 0.010 0.000 2.575 64 S HA 0.543 5.013 4.470 0.001 0.000 0.278 64 S C -0.401 174.205 174.600 0.010 0.000 1.139 64 S CA -0.309 57.897 58.200 0.011 0.000 0.954 64 S CB 1.363 64.570 63.200 0.011 0.000 1.054 64 S HN 0.770 nan 8.310 nan 0.000 0.483 72 Q N 0.790 120.559 119.800 -0.052 0.000 2.282 72 Q HA 0.300 4.641 4.340 0.001 0.000 0.206 72 Q C 0.019 175.991 176.000 -0.047 0.000 0.878 72 Q CA -0.006 55.775 55.803 -0.036 0.000 0.944 72 Q CB 0.924 29.648 28.738 -0.024 0.000 1.100 72 Q HN 0.146 nan 8.270 nan 0.000 0.509 73 R N 0.762 121.202 120.500 -0.100 0.000 2.573 73 R HA 0.060 4.400 4.340 0.001 0.000 0.272 73 R C 0.064 176.309 176.300 -0.093 0.000 1.009 73 R CA -0.092 55.916 56.100 -0.153 0.000 1.059 73 R CB 0.690 30.727 30.300 -0.439 0.000 1.112 73 R HN 0.052 nan 8.270 nan 0.000 0.517 74 D N 0.173 120.576 120.400 0.004 0.000 2.424 74 D HA 0.028 4.669 4.640 0.001 0.000 0.220 74 D C -0.584 175.808 176.300 0.153 0.000 1.150 74 D CA -0.074 53.970 54.000 0.073 0.000 0.831 74 D CB -0.044 40.818 40.800 0.103 0.000 0.981 74 D HN 0.440 nan 8.370 nan 0.000 0.500 75 Y N -1.840 118.473 120.300 0.022 0.000 2.625 75 Y HA 0.681 5.232 4.550 0.001 0.000 0.338 75 Y C -1.621 174.295 175.900 0.026 0.000 1.123 75 Y CA -1.738 56.378 58.100 0.027 0.000 1.046 75 Y CB 1.132 39.612 38.460 0.034 0.000 1.299 75 Y HN -0.236 nan 8.280 nan 0.000 0.464 76 I N 2.510 123.175 120.570 0.158 0.000 2.465 76 I HA 0.417 4.588 4.170 0.001 0.000 0.291 76 I C -0.852 175.394 176.117 0.215 0.000 1.014 76 I CA -0.929 60.412 61.300 0.069 0.000 1.093 76 I CB 2.173 40.199 38.000 0.044 0.000 1.267 76 I HN 0.613 nan 8.210 nan 0.000 0.431 77 K N 6.311 126.819 120.400 0.181 0.000 2.307 77 K HA 0.556 4.877 4.320 0.001 0.000 0.263 77 K C -0.845 175.822 176.600 0.112 0.000 0.973 77 K CA -0.686 55.719 56.287 0.197 0.000 0.846 77 K CB 1.215 33.869 32.500 0.257 0.000 1.100 77 K HN 0.541 nan 8.250 nan 0.000 0.438 78 R N 2.596 123.151 120.500 0.091 0.000 2.514 78 R HA 0.236 4.577 4.340 0.001 0.000 0.301 78 R C -0.919 175.395 176.300 0.023 0.000 0.962 78 R CA -0.565 55.575 56.100 0.067 0.000 0.882 78 R CB 1.618 31.968 30.300 0.082 0.000 1.143 78 R HN 0.590 nan 8.270 nan 0.000 0.452 79 E N 2.821 123.032 120.200 0.019 0.000 2.145 79 E HA 0.297 4.648 4.350 0.001 0.000 0.262 79 E C -0.976 175.601 176.600 -0.038 0.000 0.883 79 E CA -0.678 55.692 56.400 -0.049 0.000 0.748 79 E CB 1.838 31.584 29.700 0.077 0.000 1.140 79 E HN 0.302 nan 8.360 nan 0.000 0.417 80 V N -0.246 119.580 119.914 -0.147 0.000 3.040 80 V HA 0.557 4.677 4.120 0.001 0.000 0.312 80 V C -0.388 175.579 176.094 -0.211 0.000 1.115 80 V CA -1.171 61.053 62.300 -0.128 0.000 0.998 80 V CB 2.160 33.904 31.823 -0.133 0.000 1.042 80 V HN 0.549 nan 8.190 nan 0.000 0.433 81 M N 2.765 122.273 119.600 -0.154 0.000 2.103 81 M HA 0.408 4.888 4.480 0.001 0.000 0.350 81 M C -0.620 175.513 176.300 -0.279 0.000 1.100 81 M CA -0.381 54.841 55.300 -0.130 0.000 1.042 81 M CB 0.892 33.484 32.600 -0.013 0.000 1.368 81 M HN 0.572 nan 8.290 nan 0.000 0.404 82 V N 6.912 126.556 119.914 -0.450 0.000 2.446 82 V HA 0.157 4.277 4.120 0.001 0.000 0.276 82 V C -1.791 174.128 176.094 -0.292 0.000 1.030 82 V CA -0.960 60.950 62.300 -0.650 0.000 1.033 82 V CB 0.208 31.561 31.823 -0.783 0.000 0.993 82 V HN 0.526 nan 8.190 nan 0.000 0.477 83 P HA 0.272 nan 4.420 nan 0.000 0.281 83 P C -0.399 176.908 177.300 0.012 0.000 1.252 83 P CA -0.369 62.706 63.100 -0.042 0.000 0.778 83 P CB 0.949 32.660 31.700 0.018 0.000 0.895 84 M N 3.001 122.619 119.600 0.030 0.000 2.219 84 M HA 0.260 4.741 4.480 0.001 0.000 0.280 84 M C 2.081 178.423 176.300 0.071 0.000 1.189 84 M CA -0.544 54.794 55.300 0.063 0.000 1.010 84 M CB 0.181 32.816 32.600 0.058 0.000 1.422 84 M HN 0.391 nan 8.290 nan 0.000 0.504 85 R N 0.650 121.194 120.500 0.073 0.000 2.237 85 R HA -0.114 4.227 4.340 0.001 0.000 0.219 85 R C 0.387 176.707 176.300 0.035 0.000 1.080 85 R CA 1.674 57.806 56.100 0.052 0.000 0.995 85 R CB -0.484 29.833 30.300 0.028 0.000 0.875 85 R HN 0.665 nan 8.270 nan 0.000 0.462 86 D N -0.787 119.634 120.400 0.035 0.000 2.363 86 D HA 0.113 4.753 4.640 0.001 0.000 0.214 86 D C 1.057 177.376 176.300 0.031 0.000 1.093 86 D CA 0.434 54.451 54.000 0.029 0.000 0.837 86 D CB 0.597 41.414 40.800 0.029 0.000 0.948 86 D HN 0.377 nan 8.370 nan 0.000 0.507 87 G N -0.026 108.796 108.800 0.035 0.000 2.217 87 G HA2 -0.271 3.690 3.960 0.001 0.000 0.246 87 G HA3 -0.271 3.690 3.960 0.001 0.000 0.246 87 G C 0.214 175.133 174.900 0.030 0.000 0.990 87 G CA 0.134 45.254 45.100 0.033 0.000 0.627 87 G HN 0.356 nan 8.290 nan 0.000 0.522 88 V N 1.757 121.691 119.914 0.033 0.000 2.555 88 V HA 0.380 4.501 4.120 0.001 0.000 0.286 88 V C 0.763 176.871 176.094 0.023 0.000 1.044 88 V CA 0.287 62.607 62.300 0.033 0.000 1.026 88 V CB 1.290 33.138 31.823 0.043 0.000 0.981 88 V HN 0.361 nan 8.190 nan 0.000 0.480 89 K N 5.325 125.735 120.400 0.018 0.000 2.130 89 K HA 0.646 4.966 4.320 0.001 0.000 0.268 89 K C -0.936 175.670 176.600 0.010 0.000 0.983 89 K CA -0.385 55.899 56.287 -0.005 0.000 0.893 89 K CB 1.308 33.804 32.500 -0.006 0.000 1.066 89 K HN 0.496 nan 8.250 nan 0.000 0.450 90 L N 3.423 124.632 121.223 -0.023 0.000 2.333 90 L HA 0.307 4.648 4.340 0.001 0.000 0.280 90 L C -0.647 176.228 176.870 0.009 0.000 1.004 90 L CA -1.168 53.681 54.840 0.015 0.000 0.820 90 L CB 0.831 42.891 42.059 0.000 0.000 1.247 90 L HN 0.604 nan 8.230 nan 0.000 0.416 91 Y N 3.223 123.504 120.300 -0.032 0.000 2.650 91 Y HA 0.082 4.632 4.550 0.001 0.000 0.331 91 Y C -0.118 175.765 175.900 -0.028 0.000 1.165 91 Y CA 0.323 58.407 58.100 -0.027 0.000 1.473 91 Y CB 0.458 38.926 38.460 0.014 0.000 1.224 91 Y HN 0.471 nan 8.280 nan 0.000 0.533 92 T N 6.433 120.658 114.554 -0.549 0.000 2.841 92 T HA 0.476 4.827 4.350 0.001 0.000 0.285 92 T C -1.136 173.266 174.700 -0.497 0.000 0.991 92 T CA -0.699 61.148 62.100 -0.422 0.000 0.966 92 T CB 1.210 69.895 68.868 -0.306 0.000 0.962 92 T HN 0.366 nan 8.240 nan 0.000 0.438 93 V N 4.744 124.477 119.914 -0.302 0.000 2.357 93 V HA 0.494 4.614 4.120 0.001 0.000 0.284 93 V C -0.327 175.760 176.094 -0.011 0.000 1.018 93 V CA -0.734 61.470 62.300 -0.161 0.000 0.841 93 V CB 1.012 32.805 31.823 -0.050 0.000 0.991 93 V HN 0.785 nan 8.190 nan 0.000 0.437 94 I N 5.473 126.050 120.570 0.012 0.000 2.355 94 I HA 0.398 4.568 4.170 0.001 0.000 0.288 94 I C -0.367 175.799 176.117 0.082 0.000 0.999 94 I CA -0.643 60.690 61.300 0.054 0.000 1.163 94 I CB 1.838 39.883 38.000 0.076 0.000 1.316 94 I HN 0.282 nan 8.210 nan 0.000 0.454 95 V N 7.695 127.660 119.914 0.084 0.000 2.304 95 V HA 0.404 4.525 4.120 0.001 0.000 0.269 95 V C 0.066 176.218 176.094 0.098 0.000 1.036 95 V CA -0.359 62.002 62.300 0.101 0.000 0.840 95 V CB 0.538 32.384 31.823 0.038 0.000 1.036 95 V HN 0.476 nan 8.190 nan 0.000 0.466 96 I N 7.428 128.074 120.570 0.127 0.000 2.354 96 I HA 0.428 4.598 4.170 0.001 0.000 0.292 96 I C -2.320 173.877 176.117 0.133 0.000 0.989 96 I CA -2.136 59.225 61.300 0.101 0.000 1.188 96 I CB 2.037 40.080 38.000 0.072 0.000 1.342 96 I HN 0.385 nan 8.210 nan 0.000 0.457 97 P HA 0.068 nan 4.420 nan 0.000 0.271 97 P C -0.681 176.669 177.300 0.084 0.000 1.218 97 P CA -0.443 62.727 63.100 0.117 0.000 0.780 97 P CB 0.468 32.218 31.700 0.083 0.000 0.901 98 K N 3.128 123.576 120.400 0.080 0.000 2.448 98 K HA -0.006 4.315 4.320 0.001 0.000 0.278 98 K C 0.573 177.190 176.600 0.027 0.000 1.009 98 K CA 0.390 56.701 56.287 0.040 0.000 0.995 98 K CB -0.140 32.375 32.500 0.024 0.000 0.917 98 K HN 0.519 nan 8.250 nan 0.000 0.481 99 N N -0.898 117.811 118.700 0.014 0.000 2.741 99 N HA -0.200 4.541 4.740 0.001 0.000 0.251 99 N C -0.643 174.869 175.510 0.003 0.000 1.112 99 N CA 1.172 54.226 53.050 0.006 0.000 0.750 99 N CB -1.251 37.239 38.487 0.004 0.000 1.119 99 N HN 0.679 nan 8.380 nan 0.000 0.561 100 A N 0.992 123.816 122.820 0.007 0.000 2.401 100 A HA 0.549 4.870 4.320 0.001 0.000 0.259 100 A C 0.758 178.333 177.584 -0.016 0.000 1.103 100 A CA -0.147 51.888 52.037 -0.002 0.000 0.789 100 A CB 0.510 19.514 19.000 0.006 0.000 1.035 100 A HN 0.350 nan 8.150 nan 0.000 0.491 101 R N 1.483 121.967 120.500 -0.027 0.000 2.604 101 R HA 0.561 4.902 4.340 0.001 0.000 0.281 101 R C -0.591 175.679 176.300 -0.051 0.000 1.020 101 R CA -0.795 55.283 56.100 -0.036 0.000 0.899 101 R CB 0.573 30.855 30.300 -0.030 0.000 1.205 101 R HN 0.701 nan 8.270 nan 0.000 0.450 102 N N -0.178 118.486 118.700 -0.061 0.000 2.740 102 N HA -0.222 4.519 4.740 0.001 0.000 0.248 102 N C -1.094 174.354 175.510 -0.103 0.000 1.062 102 N CA 1.006 54.009 53.050 -0.077 0.000 0.704 102 N CB -0.476 37.970 38.487 -0.069 0.000 0.968 102 N HN 0.818 nan 8.380 nan 0.000 0.547 103 A N 0.207 122.961 122.820 -0.111 0.000 2.312 103 A HA 0.717 5.038 4.320 0.001 0.000 0.328 103 A C -2.082 175.377 177.584 -0.209 0.000 1.158 103 A CA -1.298 50.643 52.037 -0.161 0.000 0.821 103 A CB 0.974 19.904 19.000 -0.117 0.000 1.170 103 A HN 0.079 nan 8.150 nan 0.000 0.490 104 P HA 0.367 nan 4.420 nan 0.000 0.274 104 P C -0.814 176.354 177.300 -0.220 0.000 1.256 104 P CA 0.006 62.893 63.100 -0.355 0.000 0.795 104 P CB 0.709 32.019 31.700 -0.650 0.000 1.038 105 I N 0.909 121.423 120.570 -0.094 0.000 2.389 105 I HA 0.239 4.410 4.170 0.001 0.000 0.288 105 I C -0.171 175.971 176.117 0.041 0.000 0.999 105 I CA -0.988 60.301 61.300 -0.017 0.000 1.129 105 I CB 1.708 39.675 38.000 -0.056 0.000 1.288 105 I HN 0.127 nan 8.210 nan 0.000 0.444 106 L N 7.936 129.180 121.223 0.036 0.000 2.262 106 L HA 0.486 4.827 4.340 0.001 0.000 0.288 106 L C -0.881 175.875 176.870 -0.190 0.000 1.035 106 L CA -0.286 54.491 54.840 -0.105 0.000 0.820 106 L CB 1.132 42.967 42.059 -0.374 0.000 1.204 106 L HN 0.476 nan 8.230 nan 0.000 0.424 107 L N 4.790 125.921 121.223 -0.153 0.000 2.325 107 L HA 0.768 5.109 4.340 0.001 0.000 0.278 107 L C -0.581 176.163 176.870 -0.211 0.000 1.023 107 L CA 0.401 55.132 54.840 -0.181 0.000 0.811 107 L CB 2.032 44.028 42.059 -0.106 0.000 1.249 107 L HN 0.636 nan 8.230 nan 0.000 0.431 108 T N 4.719 119.104 114.554 -0.281 0.000 3.011 108 T HA 0.496 4.847 4.350 0.001 0.000 0.303 108 T C -0.801 173.868 174.700 -0.051 0.000 0.997 108 T CA -0.597 61.378 62.100 -0.209 0.000 1.007 108 T CB 1.056 69.664 68.868 -0.433 0.000 1.017 108 T HN 0.548 nan 8.240 nan 0.000 0.443 109 R N 1.847 122.368 120.500 0.035 0.000 2.255 109 R HA 0.722 5.062 4.340 0.001 0.000 0.326 109 R C -0.264 176.117 176.300 0.134 0.000 0.986 109 R CA -0.750 55.402 56.100 0.086 0.000 0.847 109 R CB 1.646 31.987 30.300 0.069 0.000 1.111 109 R HN 0.527 nan 8.270 nan 0.000 0.452 110 T N 2.171 116.818 114.554 0.154 0.000 2.916 110 T HA 0.410 4.761 4.350 0.001 0.000 0.305 110 T C -2.387 172.338 174.700 0.041 0.000 1.119 110 T CA -1.992 60.169 62.100 0.103 0.000 1.008 110 T CB 1.918 70.910 68.868 0.207 0.000 1.129 110 T HN 0.336 nan 8.240 nan 0.000 0.480 111 P HA 0.246 nan 4.420 nan 0.000 0.266 111 P C -0.348 176.963 177.300 0.018 0.000 1.381 111 P CA -0.079 62.978 63.100 -0.070 0.000 0.940 111 P CB -0.111 31.526 31.700 -0.104 0.000 1.435 112 Y N 0.576 120.951 120.300 0.124 0.000 2.746 112 Y HA 0.300 4.851 4.550 0.001 0.000 0.312 112 Y C 0.594 176.342 175.900 -0.253 0.000 1.117 112 Y CA -1.609 56.508 58.100 0.028 0.000 1.324 112 Y CB -1.314 37.192 38.460 0.076 0.000 1.173 112 Y HN 0.107 nan 8.280 nan 0.000 0.529 113 N N 0.182 118.625 118.700 -0.429 0.000 2.411 113 N HA -0.205 4.535 4.740 0.001 0.000 0.286 113 N C 0.851 176.193 175.510 -0.280 0.000 1.382 113 N CA 0.246 52.811 53.050 -0.808 0.000 0.630 113 N CB -0.217 37.538 38.487 -1.219 0.000 0.904 113 N HN 0.473 nan 8.380 nan 0.000 0.516 114 A N 3.813 126.595 122.820 -0.063 0.000 1.940 114 A HA -0.217 4.104 4.320 0.001 0.000 0.219 114 A C 1.966 179.555 177.584 0.009 0.000 1.176 114 A CA 1.997 54.068 52.037 0.057 0.000 0.631 114 A CB -0.272 18.872 19.000 0.241 0.000 0.814 114 A HN 0.784 nan 8.150 nan 0.000 0.446 115 K N -0.739 119.725 120.400 0.108 0.000 2.057 115 K HA -0.103 4.218 4.320 0.001 0.000 0.207 115 K C 1.987 178.553 176.600 -0.056 0.000 1.049 115 K CA 1.509 57.859 56.287 0.105 0.000 0.931 115 K CB -0.517 32.034 32.500 0.086 0.000 0.714 115 K HN 0.383 nan 8.250 nan 0.000 0.440 116 G N 0.616 109.330 108.800 -0.143 0.000 2.403 116 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 116 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 116 G C 1.414 176.187 174.900 -0.212 0.000 1.154 116 G CA 0.123 45.130 45.100 -0.156 0.000 0.784 116 G HN 0.147 nan 8.290 nan 0.000 0.538 117 R N 0.860 121.155 120.500 -0.341 0.000 2.120 117 R HA 0.023 4.364 4.340 0.001 0.000 0.234 117 R C 2.300 178.183 176.300 -0.694 0.000 1.123 117 R CA 1.079 56.827 56.100 -0.586 0.000 0.975 117 R CB -0.663 29.060 30.300 -0.961 0.000 0.866 117 R HN 0.339 nan 8.270 nan 0.000 0.446 118 A N 0.755 123.256 122.820 -0.533 0.000 2.411 118 A HA 0.117 4.438 4.320 0.001 0.000 0.251 118 A C 0.189 177.694 177.584 -0.131 0.000 1.317 118 A CA -0.103 51.779 52.037 -0.258 0.000 0.904 118 A CB -0.020 18.945 19.000 -0.058 0.000 0.993 118 A HN 0.066 nan 8.150 nan 0.000 0.504 119 N N 0.019 118.638 118.700 -0.137 0.000 2.646 119 N HA 0.119 4.859 4.740 0.001 0.000 0.296 119 N C 0.948 176.421 175.510 -0.062 0.000 1.886 119 N CA -0.270 52.739 53.050 -0.069 0.000 0.855 119 N CB 0.224 38.688 38.487 -0.039 0.000 1.336 119 N HN 0.397 nan 8.380 nan 0.000 0.496 120 R N -0.320 120.140 120.500 -0.067 0.000 2.096 120 R HA -0.011 4.330 4.340 0.001 0.000 0.240 120 R C -0.225 176.066 176.300 -0.015 0.000 1.139 120 R CA 1.294 57.372 56.100 -0.037 0.000 0.952 120 R CB 0.204 30.489 30.300 -0.026 0.000 0.854 120 R HN -0.001 nan 8.270 nan 0.000 0.436 121 V N 4.196 124.104 119.914 -0.010 0.000 2.325 121 V HA 0.244 4.365 4.120 0.001 0.000 0.280 121 V C -2.278 173.826 176.094 0.016 0.000 1.016 121 V CA -1.822 60.482 62.300 0.007 0.000 0.818 121 V CB 1.545 33.377 31.823 0.015 0.000 1.019 121 V HN 0.210 nan 8.190 nan 0.000 0.434 122 P HA -0.054 nan 4.420 nan 0.000 0.257 122 P C 0.243 177.576 177.300 0.053 0.000 1.162 122 P CA 0.661 63.778 63.100 0.027 0.000 0.762 122 P CB -0.107 31.605 31.700 0.021 0.000 0.753 123 N N -0.292 118.457 118.700 0.082 0.000 2.716 123 N HA -0.194 4.547 4.740 0.001 0.000 0.250 123 N C 0.296 175.892 175.510 0.144 0.000 1.033 123 N CA 0.499 53.624 53.050 0.126 0.000 0.727 123 N CB -1.304 37.234 38.487 0.085 0.000 0.950 123 N HN 0.628 nan 8.380 nan 0.000 0.541 124 A N -0.198 122.719 122.820 0.162 0.000 2.386 124 A HA 0.318 4.639 4.320 0.001 0.000 0.246 124 A C 1.394 179.124 177.584 0.244 0.000 1.089 124 A CA -0.145 51.985 52.037 0.155 0.000 0.790 124 A CB 0.321 19.383 19.000 0.103 0.000 1.042 124 A HN 0.364 nan 8.150 nan 0.000 0.497 125 L N 0.072 121.393 121.223 0.163 0.000 2.313 125 L HA 0.046 4.387 4.340 0.001 0.000 0.214 125 L C 1.151 178.155 176.870 0.225 0.000 1.119 125 L CA 1.209 56.133 54.840 0.139 0.000 0.809 125 L CB -0.716 41.384 42.059 0.068 0.000 0.933 125 L HN 0.897 nan 8.230 nan 0.000 0.449 126 T N -4.668 110.031 114.554 0.242 0.000 2.885 126 T HA 0.284 4.635 4.350 0.001 0.000 0.285 126 T C 0.596 175.379 174.700 0.138 0.000 1.019 126 T CA -0.681 61.551 62.100 0.220 0.000 1.010 126 T CB 2.418 71.349 68.868 0.104 0.000 1.022 126 T HN -0.043 nan 8.240 nan 0.000 0.466 127 M N 0.481 120.131 119.600 0.083 0.000 2.229 127 M HA 0.007 4.487 4.480 0.001 0.000 0.264 127 M C 2.358 178.582 176.300 -0.126 0.000 1.063 127 M CA 1.370 56.546 55.300 -0.207 0.000 1.114 127 M CB -0.197 32.368 32.600 -0.057 0.000 1.387 127 M HN 0.744 nan 8.290 nan 0.000 0.420 128 R N 0.524 121.005 120.500 -0.032 0.000 2.096 128 R HA -0.128 4.213 4.340 0.001 0.000 0.235 128 R C 1.680 177.963 176.300 -0.028 0.000 1.127 128 R CA 1.991 58.078 56.100 -0.021 0.000 0.968 128 R CB -0.268 30.032 30.300 -0.000 0.000 0.861 128 R HN 0.487 nan 8.270 nan 0.000 0.440 129 E N -0.961 119.226 120.200 -0.021 0.000 2.051 129 E HA -0.107 4.243 4.350 0.001 0.000 0.189 129 E C 1.872 178.447 176.600 -0.040 0.000 0.979 129 E CA 1.151 57.544 56.400 -0.013 0.000 0.803 129 E CB -0.051 29.659 29.700 0.018 0.000 0.761 129 E HN 0.118 nan 8.360 nan 0.000 0.451 130 V N 1.285 121.140 119.914 -0.098 0.000 2.490 130 V HA -0.118 4.003 4.120 0.001 0.000 0.250 130 V C 0.979 176.998 176.094 -0.124 0.000 1.061 130 V CA 1.017 63.228 62.300 -0.148 0.000 1.064 130 V CB -0.038 31.580 31.823 -0.342 0.000 0.670 130 V HN 0.076 nan 8.190 nan 0.000 0.461 131 L N 0.347 121.509 121.223 -0.102 0.000 2.360 131 L HA 0.398 4.739 4.340 0.001 0.000 0.271 131 L C -2.155 174.709 176.870 -0.011 0.000 1.057 131 L CA -1.971 52.852 54.840 -0.029 0.000 0.803 131 L CB 0.882 42.943 42.059 0.004 0.000 1.207 131 L HN 0.013 nan 8.230 nan 0.000 0.445 132 P HA -0.035 nan 4.420 nan 0.000 0.270 132 P C 0.044 177.327 177.300 -0.028 0.000 1.227 132 P CA -0.174 62.925 63.100 -0.003 0.000 0.788 132 P CB 0.498 32.209 31.700 0.018 0.000 0.926 133 Q N 1.187 120.947 119.800 -0.067 0.000 2.096 133 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 133 Q C 2.005 177.940 176.000 -0.109 0.000 0.982 133 Q CA 2.191 57.944 55.803 -0.083 0.000 0.850 133 Q CB -1.028 27.659 28.738 -0.084 0.000 0.901 133 Q HN 0.695 nan 8.270 nan 0.000 0.422 134 G N -0.171 108.520 108.800 -0.182 0.000 2.535 134 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 134 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 134 G C 0.550 175.461 174.900 0.017 0.000 1.122 134 G CA 0.840 45.872 45.100 -0.114 0.000 0.769 134 G HN 0.352 nan 8.290 nan 0.000 0.549 135 D N 0.528 120.942 120.400 0.023 0.000 2.349 135 D HA 0.040 4.680 4.640 0.001 0.000 0.214 135 D C 1.978 178.307 176.300 0.049 0.000 1.063 135 D CA 0.399 54.447 54.000 0.081 0.000 0.847 135 D CB 0.126 40.961 40.800 0.059 0.000 0.933 135 D HN 0.385 nan 8.370 nan 0.000 0.513 136 D N 0.900 121.297 120.400 -0.005 0.000 2.126 136 D HA -0.221 4.420 4.640 0.001 0.000 0.190 136 D C 2.033 178.280 176.300 -0.088 0.000 1.001 136 D CA 2.062 56.043 54.000 -0.030 0.000 0.841 136 D CB -0.939 39.852 40.800 -0.015 0.000 0.949 136 D HN 0.262 nan 8.370 nan 0.000 0.446 137 V N -2.463 117.320 119.914 -0.218 0.000 2.626 137 V HA -0.094 4.027 4.120 0.001 0.000 0.252 137 V C 2.412 178.170 176.094 -0.560 0.000 1.067 137 V CA 1.242 63.284 62.300 -0.429 0.000 1.081 137 V CB -1.265 30.163 31.823 -0.658 0.000 0.686 137 V HN 0.023 nan 8.190 nan 0.000 0.468 138 F N 0.177 119.913 119.950 -0.356 0.000 2.416 138 F HA 0.151 4.678 4.527 0.001 0.000 0.296 138 F C 2.352 178.075 175.800 -0.129 0.000 1.099 138 F CA 1.153 58.890 58.000 -0.438 0.000 1.427 138 F CB -0.539 38.076 39.000 -0.641 0.000 1.079 138 F HN -0.020 nan 8.300 nan 0.000 0.536 139 V N -0.210 119.734 119.914 0.050 0.000 2.379 139 V HA -0.226 3.895 4.120 0.001 0.000 0.245 139 V C 2.082 178.201 176.094 0.042 0.000 1.044 139 V CA 1.773 64.106 62.300 0.055 0.000 1.036 139 V CB -0.437 31.398 31.823 0.021 0.000 0.664 139 V HN 0.234 nan 8.190 nan 0.000 0.453 140 E N 0.234 120.430 120.200 -0.006 0.000 2.204 140 E HA -0.107 4.244 4.350 0.001 0.000 0.194 140 E C 2.135 178.742 176.600 0.011 0.000 0.989 140 E CA 1.050 57.444 56.400 -0.011 0.000 0.824 140 E CB -0.310 29.362 29.700 -0.047 0.000 0.756 140 E HN 0.612 nan 8.360 nan 0.000 0.477 141 G N -0.774 108.050 108.800 0.040 0.000 2.985 141 G HA2 0.125 4.085 3.960 0.001 0.000 0.209 141 G HA3 0.125 4.085 3.960 0.001 0.000 0.209 141 G C 0.988 176.012 174.900 0.206 0.000 1.165 141 G CA 0.169 45.353 45.100 0.140 0.000 0.776 141 G HN 0.382 nan 8.290 nan 0.000 0.541 142 G N -1.098 107.806 108.800 0.173 0.000 2.176 142 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 142 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 142 G C 0.103 175.084 174.900 0.135 0.000 1.024 142 G CA 0.014 45.186 45.100 0.120 0.000 0.755 142 G HN 0.369 nan 8.290 nan 0.000 0.507 143 Y N -0.686 119.642 120.300 0.046 0.000 2.314 143 Y HA 0.555 5.106 4.550 0.001 0.000 0.334 143 Y C 1.447 177.356 175.900 0.014 0.000 1.266 143 Y CA -0.513 57.614 58.100 0.045 0.000 1.391 143 Y CB 0.632 39.152 38.460 0.100 0.000 1.306 143 Y HN 0.171 nan 8.280 nan 0.000 0.558 144 I N 3.551 124.190 120.570 0.114 0.000 2.315 144 I HA 0.244 4.414 4.170 0.001 0.000 0.291 144 I C -0.183 175.964 176.117 0.050 0.000 1.006 144 I CA -0.694 60.643 61.300 0.060 0.000 1.265 144 I CB 0.896 38.903 38.000 0.011 0.000 1.387 144 I HN 0.362 nan 8.210 nan 0.000 0.475 145 R N 5.504 126.023 120.500 0.032 0.000 2.297 145 R HA 0.588 4.929 4.340 0.001 0.000 0.308 145 R C -1.433 174.846 176.300 -0.036 0.000 1.029 145 R CA -0.382 55.699 56.100 -0.032 0.000 0.929 145 R CB 1.099 31.400 30.300 0.001 0.000 1.046 145 R HN 0.385 nan 8.270 nan 0.000 0.461 146 V N 5.780 125.609 119.914 -0.142 0.000 2.483 146 V HA 0.491 4.612 4.120 0.001 0.000 0.297 146 V C -1.081 174.874 176.094 -0.232 0.000 1.027 146 V CA -0.624 61.614 62.300 -0.103 0.000 0.855 146 V CB 1.440 33.222 31.823 -0.068 0.000 0.995 146 V HN 0.582 nan 8.190 nan 0.000 0.424 147 F N 3.276 123.205 119.950 -0.036 0.000 2.493 147 F HA 0.615 5.143 4.527 0.001 0.000 0.329 147 F C 0.097 175.875 175.800 -0.037 0.000 1.126 147 F CA -0.253 57.735 58.000 -0.020 0.000 0.937 147 F CB 1.969 40.965 39.000 -0.006 0.000 1.146 147 F HN 0.441 nan 8.300 nan 0.000 0.442 148 Q N 3.111 123.010 119.800 0.166 0.000 2.356 148 Q HA 0.300 4.641 4.340 0.001 0.000 0.270 148 Q C -1.599 174.492 176.000 0.151 0.000 1.058 148 Q CA -0.943 54.918 55.803 0.097 0.000 0.802 148 Q CB 1.833 30.584 28.738 0.022 0.000 1.303 148 Q HN 0.471 nan 8.270 nan 0.000 0.444 149 D N 3.923 124.432 120.400 0.182 0.000 2.348 149 D HA 0.203 4.844 4.640 0.001 0.000 0.253 149 D C 0.352 176.742 176.300 0.149 0.000 1.161 149 D CA 0.012 54.126 54.000 0.191 0.000 0.876 149 D CB 0.570 41.522 40.800 0.255 0.000 1.160 149 D HN 0.545 nan 8.370 nan 0.000 0.459 150 I N -0.854 119.801 120.570 0.142 0.000 3.004 150 I HA 0.240 4.411 4.170 0.001 0.000 0.287 150 I C 0.842 177.053 176.117 0.157 0.000 1.144 150 I CA -0.908 60.485 61.300 0.154 0.000 1.353 150 I CB 0.655 38.775 38.000 0.199 0.000 1.417 150 I HN 0.148 nan 8.210 nan 0.000 0.602 151 R N 3.053 123.654 120.500 0.169 0.000 2.486 151 R HA 0.049 4.390 4.340 0.001 0.000 0.304 151 R C 1.052 177.479 176.300 0.211 0.000 0.913 151 R CA 1.380 57.579 56.100 0.165 0.000 1.124 151 R CB -0.474 29.921 30.300 0.159 0.000 0.891 151 R HN 1.176 nan 8.270 nan 0.000 0.410 152 G N 3.013 111.898 108.800 0.142 0.000 2.159 152 G HA2 -0.235 3.726 3.960 0.001 0.000 0.256 152 G HA3 -0.235 3.726 3.960 0.001 0.000 0.256 152 G C -0.391 174.490 174.900 -0.031 0.000 0.977 152 G CA 0.262 45.435 45.100 0.122 0.000 0.652 152 G HN 0.509 nan 8.290 nan 0.000 0.531 153 K N -0.679 119.687 120.400 -0.057 0.000 2.324 153 K HA 0.659 4.980 4.320 0.001 0.000 0.253 153 K C 0.856 177.487 176.600 0.052 0.000 0.932 153 K CA -0.884 55.320 56.287 -0.138 0.000 0.799 153 K CB 1.367 33.772 32.500 -0.160 0.000 1.154 153 K HN 0.186 nan 8.250 nan 0.000 0.425 154 Y N 0.337 120.574 120.300 -0.105 0.000 2.798 154 Y HA -0.452 4.099 4.550 0.001 0.000 0.472 154 Y C 1.768 177.594 175.900 -0.123 0.000 1.128 154 Y CA 2.186 60.226 58.100 -0.100 0.000 2.775 154 Y CB -1.473 36.936 38.460 -0.086 0.000 1.152 154 Y HN 0.771 nan 8.280 nan 0.000 0.616 155 G N -0.010 108.799 108.800 0.015 0.000 2.813 155 G HA2 0.215 4.175 3.960 0.001 0.000 0.209 155 G HA3 0.215 4.175 3.960 0.001 0.000 0.209 155 G C 0.285 175.201 174.900 0.026 0.000 1.150 155 G CA 0.762 45.767 45.100 -0.159 0.000 0.785 155 G HN 0.291 nan 8.290 nan 0.000 0.535 156 S N 0.036 115.789 115.700 0.088 0.000 2.632 156 S HA 0.413 4.884 4.470 0.001 0.000 0.271 156 S C 0.296 174.929 174.600 0.054 0.000 1.260 156 S CA -0.512 57.746 58.200 0.096 0.000 1.010 156 S CB 1.376 64.645 63.200 0.114 0.000 0.965 156 S HN 0.452 nan 8.310 nan 0.000 0.534 157 Q N 0.247 120.080 119.800 0.055 0.000 2.199 157 Q HA 0.698 5.039 4.340 0.001 0.000 0.205 157 Q C 0.571 176.605 176.000 0.056 0.000 1.001 157 Q CA -0.673 55.155 55.803 0.042 0.000 1.019 157 Q CB 0.526 29.285 28.738 0.036 0.000 1.132 157 Q HN 0.950 nan 8.270 nan 0.000 0.530 158 G N 0.480 109.310 108.800 0.051 0.000 2.728 158 G HA2 -0.158 3.803 3.960 0.001 0.000 0.294 158 G HA3 -0.158 3.803 3.960 0.001 0.000 0.294 158 G C -1.430 173.516 174.900 0.076 0.000 1.342 158 G CA -0.657 44.481 45.100 0.062 0.000 0.866 158 G HN 0.561 nan 8.290 nan 0.000 0.534 159 D N -0.466 119.985 120.400 0.085 0.000 2.225 159 D HA 0.508 5.149 4.640 0.001 0.000 0.249 159 D C -0.368 176.030 176.300 0.163 0.000 1.052 159 D CA 0.124 54.183 54.000 0.099 0.000 0.909 159 D CB 1.410 42.249 40.800 0.065 0.000 1.186 159 D HN 0.456 nan 8.370 nan 0.000 0.431 160 Y N 1.458 121.775 120.300 0.027 0.000 2.328 160 Y HA 0.417 4.968 4.550 0.001 0.000 0.337 160 Y C -1.075 174.846 175.900 0.035 0.000 1.008 160 Y CA -0.698 57.423 58.100 0.035 0.000 1.129 160 Y CB 0.956 39.428 38.460 0.022 0.000 1.185 160 Y HN 0.037 nan 8.280 nan 0.000 0.476 161 V N 8.438 128.042 119.914 -0.516 0.000 2.443 161 V HA 0.213 4.334 4.120 0.001 0.000 0.293 161 V C -0.176 175.456 176.094 -0.772 0.000 1.021 161 V CA -1.030 60.989 62.300 -0.467 0.000 0.848 161 V CB 1.276 33.013 31.823 -0.144 0.000 0.998 161 V HN 0.882 nan 8.190 nan 0.000 0.424 162 M N 5.927 125.025 119.600 -0.837 0.000 2.327 162 M HA 0.154 4.635 4.480 0.001 0.000 0.353 162 M C 0.942 176.974 176.300 -0.447 0.000 1.539 162 M CA 1.071 55.908 55.300 -0.770 0.000 1.039 162 M CB -0.505 31.377 32.600 -1.197 0.000 1.967 162 M HN 1.170 nan 8.290 nan 0.000 0.459 163 T N 2.522 116.901 114.554 -0.293 0.000 3.433 163 T HA -0.255 4.096 4.350 0.001 0.000 0.412 163 T C 0.111 174.818 174.700 0.012 0.000 0.768 163 T CA 0.956 62.838 62.100 -0.364 0.000 2.077 163 T CB -1.632 67.001 68.868 -0.393 0.000 1.700 163 T HN 0.996 nan 8.240 nan 0.000 0.666 164 R N 1.709 122.287 120.500 0.129 0.000 2.526 164 R HA 0.131 4.472 4.340 0.001 0.000 0.319 164 R C -2.038 174.398 176.300 0.228 0.000 0.888 164 R CA -0.871 55.319 56.100 0.150 0.000 1.127 164 R CB 0.194 30.585 30.300 0.152 0.000 0.888 164 R HN 0.366 nan 8.270 nan 0.000 0.410 165 P HA 0.076 nan 4.420 nan 0.000 0.269 165 P C -2.427 174.931 177.300 0.096 0.000 1.209 165 P CA -1.075 62.075 63.100 0.083 0.000 0.776 165 P CB 0.409 32.089 31.700 -0.034 0.000 0.876 166 P HA 0.018 nan 4.420 nan 0.000 0.272 166 P C -0.319 177.032 177.300 0.086 0.000 1.230 166 P CA -0.040 63.120 63.100 0.100 0.000 0.788 166 P CB 0.202 31.959 31.700 0.095 0.000 0.949 167 H N 0.105 119.191 119.070 0.026 0.000 3.167 167 H HA 0.320 4.877 4.556 0.001 0.000 0.306 167 H C 0.794 176.126 175.328 0.008 0.000 0.965 167 H CA 2.315 58.371 56.048 0.013 0.000 1.408 167 H CB -0.539 29.227 29.762 0.007 0.000 1.406 167 H HN 0.784 nan 8.280 nan 0.000 0.576 168 G N 3.858 112.349 108.800 -0.515 0.000 2.404 168 G HA2 -0.044 3.916 3.960 0.001 0.000 0.253 168 G HA3 -0.044 3.916 3.960 0.001 0.000 0.253 168 G C -2.099 172.643 174.900 -0.264 0.000 1.253 168 G CA -0.332 44.550 45.100 -0.363 0.000 0.917 168 G HN 0.458 nan 8.290 nan 0.000 0.480 169 P HA 0.064 nan 4.420 nan 0.000 0.222 169 P C 1.358 178.600 177.300 -0.097 0.000 1.147 169 P CA 0.953 63.984 63.100 -0.114 0.000 0.790 169 P CB 0.152 31.797 31.700 -0.090 0.000 0.780 170 L N -1.828 119.331 121.223 -0.106 0.000 2.640 170 L HA 0.292 4.632 4.340 0.001 0.000 0.230 170 L C 0.554 177.392 176.870 -0.053 0.000 1.123 170 L CA 0.045 54.836 54.840 -0.083 0.000 0.900 170 L CB -0.260 41.714 42.059 -0.141 0.000 1.146 170 L HN -0.063 nan 8.230 nan 0.000 0.484 171 N N 0.187 118.846 118.700 -0.068 0.000 2.932 171 N HA 0.163 4.904 4.740 0.001 0.000 0.242 171 N C -2.492 172.987 175.510 -0.051 0.000 1.351 171 N CA -0.995 52.040 53.050 -0.025 0.000 0.785 171 N CB 1.536 40.035 38.487 0.019 0.000 1.501 171 N HN -0.274 nan 8.380 nan 0.000 0.584 172 P HA 0.093 nan 4.420 nan 0.000 0.255 172 P C 0.413 177.787 177.300 0.123 0.000 1.248 172 P CA 0.276 63.380 63.100 0.006 0.000 0.807 172 P CB -0.046 31.651 31.700 -0.004 0.000 1.150 173 T N -2.432 112.198 114.554 0.126 0.000 2.788 173 T HA 0.199 4.549 4.350 0.001 0.000 0.287 173 T C 1.215 175.994 174.700 0.132 0.000 1.007 173 T CA -0.466 61.700 62.100 0.109 0.000 1.005 173 T CB 0.894 69.807 68.868 0.074 0.000 1.012 173 T HN -0.185 nan 8.240 nan 0.000 0.530 174 K N 0.602 121.031 120.400 0.048 0.000 2.486 174 K HA 0.075 4.395 4.320 0.001 0.000 0.194 174 K C 1.151 177.734 176.600 -0.029 0.000 1.033 174 K CA 0.511 56.783 56.287 -0.025 0.000 1.004 174 K CB -0.420 32.060 32.500 -0.033 0.000 0.798 174 K HN 0.911 nan 8.250 nan 0.000 0.495 175 T N -0.478 114.093 114.554 0.028 0.000 2.930 175 T HA 0.534 4.885 4.350 0.001 0.000 0.290 175 T C -0.657 174.088 174.700 0.074 0.000 1.052 175 T CA -0.925 61.198 62.100 0.038 0.000 1.017 175 T CB 2.590 71.486 68.868 0.047 0.000 1.137 175 T HN 0.069 nan 8.240 nan 0.000 0.511 176 D N -0.724 119.723 120.400 0.078 0.000 2.851 176 D HA 0.226 4.867 4.640 0.001 0.000 0.339 176 D C 0.465 176.822 176.300 0.096 0.000 1.347 176 D CA -0.649 53.410 54.000 0.098 0.000 0.888 176 D CB 0.050 40.916 40.800 0.110 0.000 1.431 176 D HN 0.364 nan 8.370 nan 0.000 0.509 177 E N -0.499 119.758 120.200 0.095 0.000 2.274 177 E HA -0.027 4.324 4.350 0.001 0.000 0.194 177 E C 1.456 178.088 176.600 0.052 0.000 0.996 177 E CA 1.190 57.631 56.400 0.069 0.000 0.840 177 E CB -0.308 29.401 29.700 0.015 0.000 0.772 177 E HN 0.561 nan 8.360 nan 0.000 0.491 178 T N 0.649 115.240 114.554 0.061 0.000 2.770 178 T HA -0.115 4.236 4.350 0.001 0.000 0.263 178 T C 2.135 176.920 174.700 0.142 0.000 1.039 178 T CA 2.017 64.169 62.100 0.087 0.000 1.142 178 T CB -0.370 68.546 68.868 0.079 0.000 0.868 178 T HN 0.394 nan 8.240 nan 0.000 0.435 179 T N 0.545 115.162 114.554 0.106 0.000 2.904 179 T HA -0.096 4.255 4.350 0.001 0.000 0.267 179 T C 1.546 176.353 174.700 0.178 0.000 1.059 179 T CA 1.060 63.230 62.100 0.117 0.000 1.137 179 T CB -0.421 68.458 68.868 0.018 0.000 0.879 179 T HN 0.113 nan 8.240 nan 0.000 0.467 180 D N 1.970 122.450 120.400 0.133 0.000 2.144 180 D HA 0.073 4.713 4.640 0.001 0.000 0.199 180 D C 2.382 178.759 176.300 0.129 0.000 0.984 180 D CA 1.406 55.479 54.000 0.122 0.000 0.834 180 D CB -0.519 40.342 40.800 0.102 0.000 0.955 180 D HN 0.588 nan 8.370 nan 0.000 0.465 181 A N -0.521 122.378 122.820 0.133 0.000 1.970 181 A HA -0.091 4.230 4.320 0.001 0.000 0.216 181 A C 2.136 179.802 177.584 0.136 0.000 1.170 181 A CA 0.715 52.813 52.037 0.101 0.000 0.645 181 A CB -1.001 18.044 19.000 0.075 0.000 0.816 181 A HN 0.337 nan 8.150 nan 0.000 0.447 182 W N 1.224 122.551 121.300 0.046 0.000 2.355 182 W HA -0.155 4.505 4.660 0.001 0.000 0.309 182 W C 1.422 177.980 176.519 0.065 0.000 1.206 182 W CA 1.811 59.210 57.345 0.089 0.000 1.284 182 W CB 0.109 29.636 29.460 0.110 0.000 1.145 182 W HN 0.359 nan 8.180 nan 0.000 0.502 183 D N -0.917 119.760 120.400 0.462 0.000 2.178 183 D HA -0.156 4.485 4.640 0.001 0.000 0.201 183 D C 2.072 178.476 176.300 0.173 0.000 0.980 183 D CA 1.941 56.149 54.000 0.347 0.000 0.842 183 D CB -0.764 40.191 40.800 0.259 0.000 0.948 183 D HN 0.155 nan 8.370 nan 0.000 0.472 184 T N 0.605 115.215 114.554 0.094 0.000 2.701 184 T HA -0.077 4.274 4.350 0.001 0.000 0.263 184 T C 2.304 177.004 174.700 0.000 0.000 1.040 184 T CA 0.716 62.842 62.100 0.043 0.000 1.147 184 T CB -0.299 68.575 68.868 0.010 0.000 0.865 184 T HN -0.039 nan 8.240 nan 0.000 0.426 185 V N 1.813 121.633 119.914 -0.156 0.000 2.343 185 V HA -0.200 3.921 4.120 0.001 0.000 0.247 185 V C 2.340 178.099 176.094 -0.559 0.000 1.051 185 V CA 2.107 64.193 62.300 -0.357 0.000 1.036 185 V CB -0.665 30.876 31.823 -0.469 0.000 0.654 185 V HN 0.520 nan 8.190 nan 0.000 0.451 186 D N -1.552 118.437 120.400 -0.686 0.000 2.144 186 D HA -0.262 4.379 4.640 0.001 0.000 0.199 186 D C 1.884 178.163 176.300 -0.035 0.000 0.984 186 D CA 1.507 55.206 54.000 -0.502 0.000 0.834 186 D CB -0.176 40.528 40.800 -0.160 0.000 0.955 186 D HN 0.583 nan 8.370 nan 0.000 0.465 187 W N 0.341 121.583 121.300 -0.097 0.000 2.409 187 W HA 0.042 4.703 4.660 0.001 0.000 0.299 187 W C 1.806 178.293 176.519 -0.054 0.000 1.203 187 W CA 0.777 58.118 57.345 -0.006 0.000 1.298 187 W CB -0.168 29.293 29.460 0.001 0.000 1.127 187 W HN -0.027 nan 8.180 nan 0.000 0.528 188 L N 0.495 121.840 121.223 0.203 0.000 2.083 188 L HA -0.218 4.123 4.340 0.001 0.000 0.209 188 L C 2.410 179.168 176.870 -0.187 0.000 1.083 188 L CA 1.526 56.399 54.840 0.056 0.000 0.752 188 L CB -1.265 40.829 42.059 0.058 0.000 0.899 188 L HN 0.059 nan 8.230 nan 0.000 0.433 189 V N -4.431 115.311 119.914 -0.287 0.000 3.380 189 V HA -0.157 3.964 4.120 0.001 0.000 0.268 189 V C 1.446 177.255 176.094 -0.475 0.000 1.168 189 V CA 1.352 63.420 62.300 -0.387 0.000 1.156 189 V CB -0.887 30.666 31.823 -0.450 0.000 0.785 189 V HN 0.496 nan 8.190 nan 0.000 0.487 190 H N -0.161 118.745 119.070 -0.274 0.000 3.046 190 H HA 0.362 4.918 4.556 0.001 0.000 0.262 190 H C 1.184 176.263 175.328 -0.415 0.000 1.044 190 H CA 0.626 56.501 56.048 -0.289 0.000 1.209 190 H CB 0.433 30.043 29.762 -0.253 0.000 1.507 190 H HN 0.474 nan 8.280 nan 0.000 0.507 191 N N -0.162 118.222 118.700 -0.527 0.000 2.177 191 N HA 0.122 4.863 4.740 0.001 0.000 0.218 191 N C -1.029 174.234 175.510 -0.412 0.000 1.182 191 N CA 0.079 52.725 53.050 -0.673 0.000 0.882 191 N CB 2.132 39.696 38.487 -1.539 0.000 1.052 191 N HN -0.091 nan 8.380 nan 0.000 0.519 192 V N 1.981 121.736 119.914 -0.266 0.000 2.289 192 V HA 0.275 4.396 4.120 0.001 0.000 0.272 192 V C -1.795 174.233 176.094 -0.110 0.000 1.026 192 V CA -1.266 60.953 62.300 -0.135 0.000 0.807 192 V CB 1.511 33.287 31.823 -0.079 0.000 1.044 192 V HN -0.037 nan 8.190 nan 0.000 0.443 193 P HA -0.078 nan 4.420 nan 0.000 0.222 193 P C 1.089 178.354 177.300 -0.059 0.000 1.147 193 P CA 0.873 63.929 63.100 -0.072 0.000 0.790 193 P CB 0.444 32.110 31.700 -0.056 0.000 0.780 194 E N -0.564 119.606 120.200 -0.050 0.000 2.482 194 E HA -0.008 4.343 4.350 0.001 0.000 0.196 194 E C 0.807 177.372 176.600 -0.058 0.000 1.047 194 E CA 0.171 56.546 56.400 -0.042 0.000 0.869 194 E CB -0.289 29.398 29.700 -0.022 0.000 0.836 194 E HN 0.286 nan 8.360 nan 0.000 0.520 195 S N 0.731 116.388 115.700 -0.073 0.000 2.687 195 S HA 0.174 4.645 4.470 0.001 0.000 0.283 195 S C 0.716 175.255 174.600 -0.100 0.000 1.170 195 S CA -0.777 57.368 58.200 -0.092 0.000 1.008 195 S CB 1.015 64.156 63.200 -0.098 0.000 1.026 195 S HN 0.145 nan 8.310 nan 0.000 0.541 196 N N 0.305 118.937 118.700 -0.113 0.000 2.270 196 N HA 0.198 4.938 4.740 0.001 0.000 0.198 196 N C 1.150 176.591 175.510 -0.114 0.000 1.117 196 N CA 0.366 53.351 53.050 -0.107 0.000 0.845 196 N CB -0.403 38.018 38.487 -0.111 0.000 0.980 196 N HN 1.376 nan 8.380 nan 0.000 0.486 197 G N 0.456 109.178 108.800 -0.131 0.000 2.148 197 G HA2 -0.319 3.642 3.960 0.001 0.000 0.254 197 G HA3 -0.319 3.642 3.960 0.001 0.000 0.254 197 G C -0.399 174.417 174.900 -0.141 0.000 0.981 197 G CA -0.025 44.984 45.100 -0.152 0.000 0.670 197 G HN 0.510 nan 8.290 nan 0.000 0.528 198 R N -0.145 120.277 120.500 -0.131 0.000 2.310 198 R HA 0.557 4.898 4.340 0.001 0.000 0.324 198 R C -0.440 175.786 176.300 -0.122 0.000 0.955 198 R CA -0.703 55.324 56.100 -0.122 0.000 0.830 198 R CB 2.273 32.505 30.300 -0.114 0.000 1.154 198 R HN 0.092 nan 8.270 nan 0.000 0.458 199 V N 1.831 121.670 119.914 -0.125 0.000 2.483 199 V HA 0.614 4.735 4.120 0.001 0.000 0.295 199 V C 0.569 176.588 176.094 -0.125 0.000 1.035 199 V CA -0.766 61.466 62.300 -0.113 0.000 0.896 199 V CB 1.866 33.611 31.823 -0.129 0.000 0.986 199 V HN 0.936 nan 8.190 nan 0.000 0.447 200 G N 3.640 112.390 108.800 -0.083 0.000 2.513 200 G HA2 0.697 4.658 3.960 0.001 0.000 0.317 200 G HA3 0.697 4.658 3.960 0.001 0.000 0.317 200 G C -1.035 173.887 174.900 0.036 0.000 1.277 200 G CA -0.666 44.357 45.100 -0.130 0.000 0.955 200 G HN 0.552 nan 8.290 nan 0.000 0.484 201 M N 1.526 121.160 119.600 0.058 0.000 2.364 201 M HA 0.609 5.090 4.480 0.001 0.000 0.334 201 M C -0.159 176.267 176.300 0.211 0.000 1.107 201 M CA -0.420 54.933 55.300 0.087 0.000 0.988 201 M CB 2.573 35.177 32.600 0.007 0.000 1.673 201 M HN 0.602 nan 8.290 nan 0.000 0.441 202 T N 1.474 116.083 114.554 0.092 0.000 2.762 202 T HA 0.898 5.249 4.350 0.001 0.000 0.301 202 T C -1.353 173.364 174.700 0.029 0.000 1.299 202 T CA -0.028 62.124 62.100 0.086 0.000 1.005 202 T CB 2.029 70.967 68.868 0.117 0.000 1.377 202 T HN 0.990 nan 8.240 nan 0.000 0.504 203 G N 0.866 109.698 108.800 0.054 0.000 2.352 203 G HA2 0.430 4.390 3.960 0.001 0.000 0.303 203 G HA3 0.430 4.390 3.960 0.001 0.000 0.303 203 G C -1.270 173.703 174.900 0.122 0.000 1.593 203 G CA 0.031 45.190 45.100 0.098 0.000 0.963 203 G HN 0.767 nan 8.290 nan 0.000 0.685 204 S N -0.077 115.720 115.700 0.163 0.000 2.621 204 S HA 0.868 5.339 4.470 0.001 0.000 0.302 204 S C 1.091 175.860 174.600 0.281 0.000 1.093 204 S CA 1.189 59.481 58.200 0.154 0.000 1.017 204 S CB 1.482 64.714 63.200 0.054 0.000 1.077 204 S HN 2.318 nan 8.310 nan 0.000 0.517 205 S N 1.570 117.461 115.700 0.319 0.000 4.140 205 S HA -0.308 4.163 4.470 0.001 0.000 0.618 205 S C 1.460 176.316 174.600 0.426 0.000 1.896 205 S CA 1.379 59.875 58.200 0.493 0.000 4.240 205 S CB -1.816 61.789 63.200 0.675 0.000 0.208 205 S HN 1.657 nan 8.310 nan 0.000 0.487 206 A N 0.635 123.723 122.820 0.446 0.000 2.066 206 A HA 0.080 4.401 4.320 0.001 0.000 0.218 206 A C 1.671 179.444 177.584 0.316 0.000 1.157 206 A CA 1.708 53.938 52.037 0.323 0.000 0.670 206 A CB -0.527 18.557 19.000 0.140 0.000 0.804 206 A HN 0.722 nan 8.150 nan 0.000 0.453 207 E N -0.620 119.752 120.200 0.286 0.000 2.358 207 E HA -0.022 4.329 4.350 0.001 0.000 0.195 207 E C 1.886 178.619 176.600 0.222 0.000 1.010 207 E CA 0.499 57.041 56.400 0.237 0.000 0.856 207 E CB -0.100 29.761 29.700 0.268 0.000 0.795 207 E HN 0.599 nan 8.360 nan 0.000 0.504 208 G N 0.820 109.780 108.800 0.267 0.000 2.539 208 G HA2 -0.192 3.769 3.960 0.001 0.000 0.215 208 G HA3 -0.192 3.769 3.960 0.001 0.000 0.215 208 G C 1.278 176.341 174.900 0.271 0.000 1.141 208 G CA -0.134 45.105 45.100 0.232 0.000 0.806 208 G HN 0.247 nan 8.290 nan 0.000 0.533 209 F N 3.224 123.290 119.950 0.193 0.000 2.171 209 F HA -0.124 4.403 4.527 0.001 0.000 0.300 209 F C 2.770 178.673 175.800 0.172 0.000 1.090 209 F CA 2.214 60.334 58.000 0.199 0.000 1.293 209 F CB -0.586 38.533 39.000 0.200 0.000 1.013 209 F HN 0.157 nan 8.300 nan 0.000 0.486 210 T N -1.927 112.593 114.554 -0.057 0.000 2.915 210 T HA -0.106 4.245 4.350 0.001 0.000 0.269 210 T C 1.977 176.614 174.700 -0.104 0.000 1.071 210 T CA 1.325 63.324 62.100 -0.169 0.000 1.132 210 T CB -1.224 67.663 68.868 0.031 0.000 0.878 210 T HN 0.182 nan 8.240 nan 0.000 0.479 211 V N 1.395 121.296 119.914 -0.023 0.000 2.307 211 V HA -0.110 4.011 4.120 0.001 0.000 0.245 211 V C 2.923 179.004 176.094 -0.021 0.000 1.045 211 V CA 1.247 63.537 62.300 -0.016 0.000 1.024 211 V CB -0.746 31.073 31.823 -0.006 0.000 0.651 211 V HN 0.379 nan 8.190 nan 0.000 0.449 212 V N -0.585 119.341 119.914 0.020 0.000 2.343 212 V HA -0.287 3.834 4.120 0.001 0.000 0.247 212 V C 2.543 178.660 176.094 0.037 0.000 1.051 212 V CA 1.832 64.203 62.300 0.117 0.000 1.036 212 V CB -0.649 31.338 31.823 0.273 0.000 0.654 212 V HN 0.400 nan 8.190 nan 0.000 0.451 213 M N -0.074 119.451 119.600 -0.125 0.000 2.159 213 M HA -0.108 4.373 4.480 0.001 0.000 0.263 213 M C 2.322 178.606 176.300 -0.028 0.000 1.063 213 M CA 2.128 57.343 55.300 -0.141 0.000 1.110 213 M CB -1.356 31.024 32.600 -0.365 0.000 1.374 213 M HN 0.428 nan 8.290 nan 0.000 0.411 214 A N -0.432 122.377 122.820 -0.018 0.000 2.014 214 A HA -0.026 4.295 4.320 0.001 0.000 0.218 214 A C 2.176 179.796 177.584 0.061 0.000 1.163 214 A CA 0.791 52.849 52.037 0.036 0.000 0.652 214 A CB -0.705 18.306 19.000 0.019 0.000 0.808 214 A HN 0.466 nan 8.150 nan 0.000 0.449 215 L N -0.305 120.950 121.223 0.053 0.000 2.465 215 L HA -0.034 4.306 4.340 0.001 0.000 0.224 215 L C 2.063 178.994 176.870 0.102 0.000 1.145 215 L CA 0.182 55.067 54.840 0.075 0.000 0.834 215 L CB -0.279 41.833 42.059 0.089 0.000 0.944 215 L HN 0.392 nan 8.230 nan 0.000 0.451 216 L N -0.895 120.388 121.223 0.100 0.000 2.093 216 L HA -0.076 4.265 4.340 0.001 0.000 0.208 216 L C 0.413 177.343 176.870 0.100 0.000 1.085 216 L CA 0.989 55.890 54.840 0.102 0.000 0.755 216 L CB -0.044 42.070 42.059 0.092 0.000 0.904 216 L HN 0.197 nan 8.230 nan 0.000 0.435 217 D N -0.720 119.751 120.400 0.118 0.000 2.752 217 D HA 0.181 4.822 4.640 0.001 0.000 0.242 217 D C -2.550 173.899 176.300 0.249 0.000 1.295 217 D CA -1.191 52.898 54.000 0.147 0.000 0.846 217 D CB 1.190 42.054 40.800 0.107 0.000 1.454 217 D HN -0.107 nan 8.370 nan 0.000 0.535 218 P HA 0.145 nan 4.420 nan 0.000 0.276 218 P C -0.058 177.346 177.300 0.173 0.000 1.244 218 P CA -0.319 62.886 63.100 0.176 0.000 0.801 218 P CB 0.950 32.689 31.700 0.065 0.000 1.006 219 H N 2.666 121.630 119.070 -0.177 0.000 2.652 219 H HA 0.104 4.661 4.556 0.001 0.000 0.349 219 H C -1.472 173.699 175.328 -0.262 0.000 1.099 219 H CA -1.330 54.383 56.048 -0.557 0.000 1.417 219 H CB 0.802 29.986 29.762 -0.964 0.000 1.457 219 H HN 0.168 nan 8.280 nan 0.000 0.568 220 P HA -0.144 nan 4.420 nan 0.000 0.218 220 P C 0.868 178.109 177.300 -0.098 0.000 1.146 220 P CA 1.879 64.843 63.100 -0.227 0.000 0.820 220 P CB 0.034 31.566 31.700 -0.280 0.000 0.778 221 A N -1.315 121.542 122.820 0.062 0.000 2.167 221 A HA -0.018 4.302 4.320 0.001 0.000 0.214 221 A C 1.058 178.603 177.584 -0.064 0.000 1.151 221 A CA 0.194 52.239 52.037 0.014 0.000 0.735 221 A CB -1.032 17.968 19.000 0.001 0.000 0.802 221 A HN 0.166 nan 8.150 nan 0.000 0.467 222 L N 0.809 121.994 121.223 -0.064 0.000 2.385 222 L HA 0.228 4.568 4.340 0.001 0.000 0.285 222 L C 0.851 177.636 176.870 -0.142 0.000 1.125 222 L CA 0.010 54.785 54.840 -0.109 0.000 0.890 222 L CB 0.147 42.155 42.059 -0.086 0.000 1.251 222 L HN 0.056 nan 8.230 nan 0.000 0.445 223 K N 3.276 123.569 120.400 -0.179 0.000 2.243 223 K HA 0.203 4.524 4.320 0.001 0.000 0.201 223 K C 0.146 176.513 176.600 -0.389 0.000 1.051 223 K CA 0.483 56.635 56.287 -0.225 0.000 0.970 223 K CB 0.318 32.732 32.500 -0.145 0.000 0.755 223 K HN 0.403 nan 8.250 nan 0.000 0.465 224 V N -0.453 119.203 119.914 -0.430 0.000 3.120 224 V HA 0.668 4.788 4.120 0.001 0.000 0.303 224 V C -1.965 173.876 176.094 -0.421 0.000 1.238 224 V CA -0.820 61.142 62.300 -0.563 0.000 1.008 224 V CB 2.220 33.521 31.823 -0.870 0.000 1.064 224 V HN 0.205 nan 8.190 nan 0.000 0.434 225 A N 3.891 126.603 122.820 -0.179 0.000 2.475 225 A HA 1.022 5.343 4.320 0.001 0.000 0.301 225 A C -0.572 177.130 177.584 0.197 0.000 1.059 225 A CA -0.143 51.904 52.037 0.017 0.000 0.710 225 A CB 2.105 21.058 19.000 -0.079 0.000 1.288 225 A HN 2.205 nan 8.150 nan 0.000 0.408 226 A N 2.438 125.405 122.820 0.244 0.000 3.007 226 A HA 0.702 5.022 4.320 0.001 0.000 0.314 226 A C -3.154 174.385 177.584 -0.075 0.000 1.153 226 A CA -1.264 50.827 52.037 0.091 0.000 0.780 226 A CB 0.496 19.614 19.000 0.197 0.000 1.258 226 A HN 0.412 nan 8.150 nan 0.000 0.460 227 P HA 0.340 nan 4.420 nan 0.000 0.276 227 P C -0.559 176.749 177.300 0.014 0.000 1.253 227 P CA 0.365 63.411 63.100 -0.090 0.000 0.766 227 P CB 0.746 32.335 31.700 -0.186 0.000 0.845 228 E N 1.665 121.894 120.200 0.050 0.000 2.113 228 E HA 0.268 4.619 4.350 0.001 0.000 0.273 228 E C -0.144 176.536 176.600 0.133 0.000 0.924 228 E CA -0.646 55.781 56.400 0.045 0.000 0.764 228 E CB 0.472 30.154 29.700 -0.030 0.000 1.104 228 E HN 0.288 nan 8.360 nan 0.000 0.406 229 S N 2.365 118.171 115.700 0.177 0.000 3.405 229 S HA -0.146 4.325 4.470 0.001 0.000 0.373 229 S C -2.145 172.646 174.600 0.318 0.000 0.939 229 S CA 0.040 58.390 58.200 0.250 0.000 1.295 229 S CB -1.665 61.677 63.200 0.236 0.000 0.919 229 S HN 0.468 nan 8.310 nan 0.000 0.535 230 P HA 0.359 nan 4.420 nan 0.000 0.278 230 P C -0.173 177.334 177.300 0.345 0.000 1.258 230 P CA -0.874 62.448 63.100 0.370 0.000 0.811 230 P CB 0.598 32.554 31.700 0.426 0.000 1.063 231 M N 1.828 121.642 119.600 0.357 0.000 2.201 231 M HA 0.107 4.587 4.480 0.001 0.000 0.345 231 M C 0.838 177.354 176.300 0.360 0.000 1.352 231 M CA -0.264 55.183 55.300 0.244 0.000 1.218 231 M CB 0.523 33.190 32.600 0.111 0.000 1.512 231 M HN 0.090 nan 8.290 nan 0.000 0.447 232 V N 0.500 120.600 119.914 0.309 0.000 2.627 232 V HA 0.106 4.227 4.120 0.001 0.000 0.239 232 V C 0.339 176.609 176.094 0.294 0.000 1.077 232 V CA 1.045 63.550 62.300 0.341 0.000 1.103 232 V CB 0.358 32.387 31.823 0.343 0.000 0.802 232 V HN 0.729 nan 8.190 nan 0.000 0.482 233 D N -0.258 120.265 120.400 0.204 0.000 2.346 233 D HA 0.295 4.936 4.640 0.001 0.000 0.255 233 D C 0.999 177.281 176.300 -0.031 0.000 1.276 233 D CA 0.355 54.414 54.000 0.098 0.000 0.941 233 D CB 1.413 42.155 40.800 -0.096 0.000 1.199 233 D HN 0.184 nan 8.370 nan 0.000 0.537 234 G N 1.564 110.433 108.800 0.115 0.000 2.535 234 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 234 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 234 G C 1.077 175.977 174.900 0.000 0.000 1.122 234 G CA 0.278 45.371 45.100 -0.012 0.000 0.769 234 G HN 0.521 nan 8.290 nan 0.000 0.549 235 W N -0.229 120.886 121.300 -0.308 0.000 2.644 235 W HA 0.254 4.914 4.660 0.001 0.000 0.279 235 W C 2.453 178.565 176.519 -0.679 0.000 1.164 235 W CA 0.203 57.236 57.345 -0.521 0.000 1.457 235 W CB 0.173 29.178 29.460 -0.758 0.000 1.087 235 W HN -0.037 nan 8.180 nan 0.000 0.573 236 M N -0.132 119.077 119.600 -0.651 0.000 2.065 236 M HA 0.038 4.519 4.480 0.001 0.000 0.259 236 M C 1.553 176.900 176.300 -1.587 0.000 1.069 236 M CA 2.099 56.553 55.300 -1.411 0.000 1.110 236 M CB -1.513 29.815 32.600 -2.119 0.000 1.328 236 M HN 0.280 nan 8.290 nan 0.000 0.405 237 G N -1.391 106.684 108.800 -1.209 0.000 5.068 237 G HA2 0.112 4.072 3.960 0.001 0.000 0.218 237 G HA3 0.112 4.072 3.960 0.001 0.000 0.218 237 G C -0.170 174.536 174.900 -0.323 0.000 0.891 237 G CA -0.372 44.228 45.100 -0.833 0.000 0.776 237 G HN 0.212 nan 8.290 nan 0.000 0.284 238 D N 0.110 120.400 120.400 -0.182 0.000 2.463 238 D HA 0.160 4.800 4.640 0.001 0.000 0.247 238 D C 1.065 177.286 176.300 -0.131 0.000 1.240 238 D CA -0.356 53.606 54.000 -0.063 0.000 1.151 238 D CB 0.609 41.355 40.800 -0.089 0.000 1.180 238 D HN -0.142 nan 8.370 nan 0.000 0.532 239 D N -0.367 119.763 120.400 -0.449 0.000 2.097 239 D HA -0.091 4.550 4.640 0.001 0.000 0.197 239 D C 2.220 178.181 176.300 -0.565 0.000 0.984 239 D CA 1.053 54.617 54.000 -0.727 0.000 0.826 239 D CB 0.004 39.992 40.800 -1.353 0.000 0.973 239 D HN 0.423 nan 8.370 nan 0.000 0.460 240 W N -0.382 120.861 121.300 -0.096 0.000 2.526 240 W HA 0.119 4.779 4.660 0.001 0.000 0.294 240 W C 0.752 176.937 176.519 -0.557 0.000 1.181 240 W CA -0.529 56.675 57.345 -0.235 0.000 1.373 240 W CB -0.154 29.374 29.460 0.114 0.000 1.112 240 W HN -0.217 nan 8.180 nan 0.000 0.545 241 F N -1.391 118.520 119.950 -0.065 0.000 2.640 241 F HA 0.454 4.982 4.527 0.001 0.000 0.324 241 F C -0.273 175.410 175.800 -0.195 0.000 1.077 241 F CA -1.302 56.545 58.000 -0.253 0.000 0.965 241 F CB 1.362 39.872 39.000 -0.817 0.000 1.351 241 F HN -0.281 nan 8.300 nan 0.000 0.487 242 H N 1.242 120.202 119.070 -0.184 0.000 3.108 242 H HA 0.186 4.743 4.556 0.001 0.000 0.301 242 H C -1.227 173.893 175.328 -0.346 0.000 1.139 242 H CA -0.745 55.156 56.048 -0.245 0.000 1.552 242 H CB 0.717 30.530 29.762 0.084 0.000 1.663 242 H HN 0.687 nan 8.280 nan 0.000 0.517 243 Y N 1.622 121.573 120.300 -0.583 0.000 3.589 243 Y HA -0.309 4.242 4.550 0.001 0.000 0.218 243 Y C 1.525 176.919 175.900 -0.843 0.000 1.234 243 Y CA 1.685 59.379 58.100 -0.676 0.000 1.576 243 Y CB -1.677 36.551 38.460 -0.387 0.000 1.487 243 Y HN 1.083 nan 8.280 nan 0.000 0.616 244 G N -2.095 105.929 108.800 -1.293 0.000 2.258 244 G HA2 -0.038 3.923 3.960 0.001 0.000 0.233 244 G HA3 -0.038 3.923 3.960 0.001 0.000 0.233 244 G C 0.405 175.241 174.900 -0.106 0.000 1.006 244 G CA -0.151 44.345 45.100 -1.006 0.000 0.620 244 G HN 1.566 nan 8.290 nan 0.000 0.511 245 A N 0.702 123.513 122.820 -0.015 0.000 2.396 245 A HA 0.608 4.929 4.320 0.001 0.000 0.279 245 A C -0.007 177.775 177.584 0.331 0.000 1.165 245 A CA -0.185 51.960 52.037 0.180 0.000 0.824 245 A CB 0.006 19.023 19.000 0.027 0.000 1.100 245 A HN 1.329 nan 8.150 nan 0.000 0.516 246 F N 3.007 123.026 119.950 0.115 0.000 2.495 246 F HA 0.331 4.859 4.527 0.001 0.000 0.365 246 F C 0.776 176.411 175.800 -0.275 0.000 1.090 246 F CA -0.138 57.708 58.000 -0.255 0.000 1.235 246 F CB 0.591 39.493 39.000 -0.163 0.000 1.119 246 F HN 0.568 nan 8.300 nan 0.000 0.562 247 R N 5.845 125.525 120.500 -1.366 0.000 2.235 247 R HA 0.123 4.464 4.340 0.001 0.000 0.338 247 R C 1.002 176.157 176.300 -1.909 0.000 1.087 247 R CA -0.203 55.042 56.100 -1.424 0.000 0.948 247 R CB 0.592 30.258 30.300 -1.056 0.000 1.099 247 R HN 0.775 nan 8.270 nan 0.000 0.483 248 Q N 1.166 120.042 119.800 -1.540 0.000 2.515 248 Q HA -0.109 4.232 4.340 0.001 0.000 0.215 248 Q C 1.583 176.647 176.000 -1.560 0.000 0.983 248 Q CA 1.173 56.142 55.803 -1.391 0.000 0.905 248 Q CB 0.219 28.248 28.738 -1.182 0.000 0.961 248 Q HN 0.832 nan 8.270 nan 0.000 0.503 249 G N 0.158 107.859 108.800 -1.833 0.000 2.813 249 G HA2 0.050 4.011 3.960 0.001 0.000 0.209 249 G HA3 0.050 4.011 3.960 0.001 0.000 0.209 249 G C 1.310 175.516 174.900 -1.158 0.000 1.150 249 G CA 0.496 44.349 45.100 -2.079 0.000 0.785 249 G HN 0.363 nan 8.290 nan 0.000 0.535 250 A N 0.635 122.794 122.820 -1.101 0.000 2.015 250 A HA 0.169 4.490 4.320 0.001 0.000 0.219 250 A C 1.935 178.821 177.584 -1.163 0.000 1.163 250 A CA 0.798 52.258 52.037 -0.963 0.000 0.646 250 A CB -0.417 18.056 19.000 -0.879 0.000 0.806 250 A HN 0.246 nan 8.150 nan 0.000 0.448 251 F N 0.849 120.387 119.950 -0.687 0.000 2.134 251 F HA -0.154 4.374 4.527 0.001 0.000 0.299 251 F C 2.104 177.757 175.800 -0.246 0.000 1.097 251 F CA 1.238 58.995 58.000 -0.405 0.000 1.264 251 F CB -0.652 38.291 39.000 -0.097 0.000 1.001 251 F HN 0.247 nan 8.300 nan 0.000 0.479 252 D N -1.471 118.894 120.400 -0.059 0.000 2.144 252 D HA -0.209 4.432 4.640 0.001 0.000 0.200 252 D C 2.113 178.423 176.300 0.016 0.000 0.978 252 D CA 1.019 55.008 54.000 -0.019 0.000 0.833 252 D CB -0.484 40.276 40.800 -0.067 0.000 0.961 252 D HN 0.303 nan 8.370 nan 0.000 0.470 253 Y N 0.739 120.947 120.300 -0.153 0.000 2.200 253 Y HA -0.228 4.323 4.550 0.001 0.000 0.290 253 Y C 2.040 178.057 175.900 0.196 0.000 1.137 253 Y CA 1.273 59.378 58.100 0.008 0.000 1.163 253 Y CB -0.272 38.193 38.460 0.009 0.000 0.988 253 Y HN -0.192 nan 8.280 nan 0.000 0.518 254 F N -0.647 119.416 119.950 0.188 0.000 2.069 254 F HA -0.235 4.293 4.527 0.001 0.000 0.298 254 F C 2.512 178.294 175.800 -0.029 0.000 1.113 254 F CA 1.376 59.434 58.000 0.097 0.000 1.214 254 F CB -1.510 37.535 39.000 0.075 0.000 0.978 254 F HN -0.119 nan 8.300 nan 0.000 0.474 255 V N -0.246 119.710 119.914 0.070 0.000 2.427 255 V HA -0.238 3.883 4.120 0.001 0.000 0.248 255 V C 2.511 178.652 176.094 0.079 0.000 1.051 255 V CA 1.843 64.131 62.300 -0.019 0.000 1.048 255 V CB -1.088 30.681 31.823 -0.089 0.000 0.666 255 V HN 0.491 nan 8.190 nan 0.000 0.456 256 S N -0.876 114.847 115.700 0.038 0.000 2.406 256 S HA -0.165 4.306 4.470 0.001 0.000 0.228 256 S C 1.864 176.462 174.600 -0.004 0.000 1.020 256 S CA 1.056 59.263 58.200 0.012 0.000 0.965 256 S CB -0.128 63.066 63.200 -0.011 0.000 0.798 256 S HN 0.612 nan 8.310 nan 0.000 0.488 257 Q N -0.493 119.293 119.800 -0.024 0.000 2.378 257 Q HA 0.342 4.682 4.340 0.001 0.000 0.216 257 Q C 1.022 177.084 176.000 0.103 0.000 0.892 257 Q CA 0.448 56.242 55.803 -0.016 0.000 0.931 257 Q CB 0.324 28.989 28.738 -0.122 0.000 1.086 257 Q HN 0.626 nan 8.270 nan 0.000 0.528 258 M N -0.941 118.793 119.600 0.224 0.000 2.416 258 M HA 0.127 4.607 4.480 0.001 0.000 0.337 258 M C 1.050 177.529 176.300 0.300 0.000 1.074 258 M CA 0.088 55.578 55.300 0.316 0.000 0.968 258 M CB 0.878 33.730 32.600 0.419 0.000 1.472 258 M HN -0.137 nan 8.290 nan 0.000 0.539 259 T N 0.908 115.609 114.554 0.245 0.000 2.896 259 T HA 0.246 4.597 4.350 0.001 0.000 0.263 259 T C 0.745 175.455 174.700 0.017 0.000 1.050 259 T CA 0.984 63.182 62.100 0.164 0.000 1.140 259 T CB 0.209 69.178 68.868 0.169 0.000 0.877 259 T HN 0.467 nan 8.240 nan 0.000 0.457 260 A N -0.148 122.658 122.820 -0.024 0.000 2.583 260 A HA 0.709 5.030 4.320 0.001 0.000 0.289 260 A C 0.833 178.322 177.584 -0.159 0.000 1.151 260 A CA -0.680 51.306 52.037 -0.085 0.000 0.695 260 A CB 0.927 19.869 19.000 -0.096 0.000 1.290 260 A HN 0.064 nan 8.150 nan 0.000 0.419 261 R N -0.226 120.168 120.500 -0.177 0.000 2.081 261 R HA -0.033 4.307 4.340 0.001 0.000 0.235 261 R C 1.251 177.258 176.300 -0.488 0.000 1.131 261 R CA 2.078 58.033 56.100 -0.241 0.000 0.960 261 R CB -0.395 29.810 30.300 -0.157 0.000 0.856 261 R HN 0.862 nan 8.270 nan 0.000 0.436 262 G N -0.919 107.576 108.800 -0.509 0.000 2.829 262 G HA2 0.358 4.319 3.960 0.001 0.000 0.173 262 G HA3 0.358 4.319 3.960 0.001 0.000 0.173 262 G C -0.350 174.077 174.900 -0.789 0.000 1.476 262 G CA -0.220 44.343 45.100 -0.894 0.000 1.072 262 G HN 0.411 nan 8.290 nan 0.000 0.577 263 G N -1.458 107.130 108.800 -0.353 0.000 2.594 263 G HA2 0.514 4.475 3.960 0.001 0.000 0.243 263 G HA3 0.514 4.475 3.960 0.001 0.000 0.243 263 G C 0.060 174.923 174.900 -0.062 0.000 1.229 263 G CA 0.559 45.623 45.100 -0.060 0.000 0.843 263 G HN 0.964 nan 8.290 nan 0.000 0.578 264 G N 0.023 108.818 108.800 -0.007 0.000 2.642 264 G HA2 0.519 4.480 3.960 0.001 0.000 0.293 264 G HA3 0.519 4.480 3.960 0.001 0.000 0.293 264 G C -0.852 174.064 174.900 0.025 0.000 1.341 264 G CA -0.762 44.344 45.100 0.009 0.000 0.916 264 G HN 0.574 nan 8.290 nan 0.000 0.474 265 N N -0.278 118.439 118.700 0.027 0.000 2.485 265 N HA 0.362 5.103 4.740 0.001 0.000 0.280 265 N C -0.832 174.690 175.510 0.021 0.000 1.205 265 N CA -0.439 52.624 53.050 0.022 0.000 0.959 265 N CB 1.908 40.404 38.487 0.015 0.000 1.206 265 N HN 0.409 nan 8.380 nan 0.000 0.545 266 D N 0.126 120.534 120.400 0.014 0.000 2.377 266 D HA 0.311 4.951 4.640 0.001 0.000 0.245 266 D C 0.045 176.348 176.300 0.004 0.000 1.196 266 D CA -0.095 53.912 54.000 0.013 0.000 0.962 266 D CB 0.841 41.648 40.800 0.013 0.000 1.127 266 D HN 0.294 nan 8.370 nan 0.000 0.471 267 I N 2.579 123.153 120.570 0.008 0.000 2.396 267 I HA 0.144 4.315 4.170 0.001 0.000 0.289 267 I C -1.849 174.256 176.117 -0.021 0.000 1.056 267 I CA -1.585 59.703 61.300 -0.021 0.000 1.365 267 I CB 0.695 38.690 38.000 -0.009 0.000 1.407 267 I HN 0.121 nan 8.210 nan 0.000 0.509 268 P HA 0.114 nan 4.420 nan 0.000 0.265 268 P C -0.713 176.554 177.300 -0.054 0.000 1.193 268 P CA -0.104 62.969 63.100 -0.045 0.000 0.765 268 P CB 0.458 32.125 31.700 -0.055 0.000 0.823 269 R N 2.427 122.910 120.500 -0.028 0.000 2.720 269 R HA 0.367 4.708 4.340 0.001 0.000 0.272 269 R C 1.061 177.344 176.300 -0.028 0.000 0.991 269 R CA -0.850 55.238 56.100 -0.019 0.000 1.010 269 R CB 1.172 31.480 30.300 0.013 0.000 1.141 269 R HN 0.359 nan 8.270 nan 0.000 0.494 270 R N 0.395 120.879 120.500 -0.027 0.000 2.064 270 R HA 0.071 4.412 4.340 0.001 0.000 0.221 270 R C 0.166 176.462 176.300 -0.006 0.000 1.136 270 R CA 1.401 57.487 56.100 -0.024 0.000 0.980 270 R CB 0.063 30.346 30.300 -0.028 0.000 0.876 270 R HN 0.632 nan 8.270 nan 0.000 0.437 271 D N -1.580 118.824 120.400 0.008 0.000 2.326 271 D HA 0.291 4.932 4.640 0.001 0.000 0.248 271 D C -0.027 176.278 176.300 0.010 0.000 1.001 271 D CA 0.200 54.210 54.000 0.016 0.000 0.961 271 D CB 2.161 42.984 40.800 0.039 0.000 1.183 271 D HN 0.253 nan 8.370 nan 0.000 0.502 272 A N 1.611 124.434 122.820 0.004 0.000 2.067 272 A HA -0.036 4.284 4.320 0.001 0.000 0.217 272 A C 0.747 178.318 177.584 -0.022 0.000 1.156 272 A CA 0.760 52.788 52.037 -0.014 0.000 0.683 272 A CB 0.088 19.080 19.000 -0.014 0.000 0.808 272 A HN 0.479 nan 8.150 nan 0.000 0.455 273 D N -0.392 120.018 120.400 0.016 0.000 2.274 273 D HA 0.290 4.931 4.640 0.001 0.000 0.239 273 D C -0.259 176.090 176.300 0.082 0.000 1.104 273 D CA -0.438 53.587 54.000 0.043 0.000 0.840 273 D CB 0.946 41.802 40.800 0.093 0.000 1.100 273 D HN -0.007 nan 8.370 nan 0.000 0.477 274 D N 2.331 122.752 120.400 0.035 0.000 2.347 274 D HA -0.129 4.511 4.640 0.001 0.000 0.215 274 D C 1.206 177.639 176.300 0.222 0.000 0.976 274 D CA 0.437 54.504 54.000 0.110 0.000 0.884 274 D CB 0.052 40.818 40.800 -0.056 0.000 0.915 274 D HN 0.558 nan 8.370 nan 0.000 0.526 275 Y N 1.084 121.450 120.300 0.110 0.000 2.184 275 Y HA -0.172 4.379 4.550 0.001 0.000 0.290 275 Y C 2.233 178.330 175.900 0.329 0.000 1.129 275 Y CA 1.553 59.792 58.100 0.232 0.000 1.144 275 Y CB -0.228 38.367 38.460 0.225 0.000 0.995 275 Y HN -0.146 nan 8.280 nan 0.000 0.513 276 T N 0.863 115.661 114.554 0.407 0.000 2.737 276 T HA -0.159 4.191 4.350 0.001 0.000 0.265 276 T C 1.643 176.452 174.700 0.181 0.000 1.038 276 T CA 1.425 63.686 62.100 0.269 0.000 1.144 276 T CB -0.324 68.663 68.868 0.198 0.000 0.866 276 T HN 0.350 nan 8.240 nan 0.000 0.434 277 N N 0.899 119.693 118.700 0.157 0.000 2.043 277 N HA -0.039 4.702 4.740 0.001 0.000 0.193 277 N C 1.572 177.114 175.510 0.053 0.000 1.037 277 N CA 1.284 54.383 53.050 0.081 0.000 0.851 277 N CB -0.550 37.957 38.487 0.034 0.000 1.027 277 N HN 0.366 nan 8.380 nan 0.000 0.422 278 F N 0.352 120.346 119.950 0.074 0.000 2.325 278 F HA 0.008 4.535 4.527 0.001 0.000 0.299 278 F C 2.069 178.027 175.800 0.263 0.000 1.090 278 F CA 0.126 58.174 58.000 0.080 0.000 1.392 278 F CB -0.159 38.715 39.000 -0.210 0.000 1.053 278 F HN -0.002 nan 8.300 nan 0.000 0.521 279 L N 0.336 121.797 121.223 0.396 0.000 2.109 279 L HA -0.087 4.254 4.340 0.001 0.000 0.207 279 L C 2.125 179.013 176.870 0.030 0.000 1.086 279 L CA 1.776 56.682 54.840 0.110 0.000 0.760 279 L CB -0.689 41.321 42.059 -0.082 0.000 0.910 279 L HN -0.057 nan 8.230 nan 0.000 0.437 280 K N -1.006 119.435 120.400 0.068 0.000 2.097 280 K HA -0.040 4.281 4.320 0.001 0.000 0.205 280 K C 2.000 178.625 176.600 0.042 0.000 1.050 280 K CA 1.061 57.369 56.287 0.035 0.000 0.938 280 K CB -0.135 32.388 32.500 0.039 0.000 0.718 280 K HN 0.416 nan 8.250 nan 0.000 0.442 281 A N 0.472 123.346 122.820 0.090 0.000 1.930 281 A HA 0.042 4.363 4.320 0.001 0.000 0.217 281 A C 1.505 179.160 177.584 0.119 0.000 1.175 281 A CA 1.972 54.074 52.037 0.108 0.000 0.627 281 A CB -0.461 18.659 19.000 0.199 0.000 0.815 281 A HN 0.482 nan 8.150 nan 0.000 0.443 282 G N -1.239 107.630 108.800 0.115 0.000 3.597 282 G HA2 -0.170 3.791 3.960 0.001 0.000 0.256 282 G HA3 -0.170 3.791 3.960 0.001 0.000 0.256 282 G C 0.686 175.701 174.900 0.193 0.000 1.792 282 G CA 0.727 45.861 45.100 0.057 0.000 1.219 282 G HN 1.742 nan 8.290 nan 0.000 0.577 283 S N 1.216 117.111 115.700 0.324 0.000 2.713 283 S HA 0.784 5.255 4.470 0.001 0.000 0.283 283 S C 1.581 176.479 174.600 0.496 0.000 1.161 283 S CA 0.562 59.032 58.200 0.451 0.000 0.999 283 S CB 1.708 65.169 63.200 0.435 0.000 1.039 283 S HN 2.097 nan 8.310 nan 0.000 0.548 284 A N 1.318 124.502 122.820 0.606 0.000 1.902 284 A HA 0.155 4.475 4.320 0.001 0.000 0.217 284 A C 2.144 180.111 177.584 0.638 0.000 1.181 284 A CA 1.665 54.168 52.037 0.777 0.000 0.623 284 A CB -1.800 17.772 19.000 0.953 0.000 0.818 284 A HN 1.154 nan 8.150 nan 0.000 0.443 285 G N -1.175 108.009 108.800 0.639 0.000 2.422 285 G HA2 -0.166 3.795 3.960 0.001 0.000 0.218 285 G HA3 -0.166 3.795 3.960 0.001 0.000 0.218 285 G C 1.869 176.935 174.900 0.275 0.000 1.146 285 G CA 1.324 46.754 45.100 0.549 0.000 0.769 285 G HN 0.497 nan 8.290 nan 0.000 0.547 286 S N -0.538 115.321 115.700 0.264 0.000 2.382 286 S HA -0.060 4.411 4.470 0.001 0.000 0.228 286 S C 1.923 176.552 174.600 0.049 0.000 1.027 286 S CA 1.052 59.341 58.200 0.148 0.000 0.991 286 S CB -0.322 62.983 63.200 0.175 0.000 0.823 286 S HN 0.407 nan 8.310 nan 0.000 0.469 287 F N 2.076 121.976 119.950 -0.083 0.000 2.113 287 F HA 0.037 4.565 4.527 0.001 0.000 0.297 287 F C 2.269 177.783 175.800 -0.477 0.000 1.103 287 F CA 1.189 59.028 58.000 -0.269 0.000 1.248 287 F CB -0.733 38.117 39.000 -0.250 0.000 0.999 287 F HN 0.224 nan 8.300 nan 0.000 0.475 288 A N -0.355 122.138 122.820 -0.545 0.000 1.892 288 A HA -0.226 4.094 4.320 0.001 0.000 0.218 288 A C 2.177 179.480 177.584 -0.469 0.000 1.188 288 A CA 2.499 54.000 52.037 -0.892 0.000 0.631 288 A CB -1.494 16.785 19.000 -1.202 0.000 0.822 288 A HN 0.450 nan 8.150 nan 0.000 0.447 289 T N -0.421 113.991 114.554 -0.236 0.000 2.746 289 T HA -0.166 4.185 4.350 0.001 0.000 0.267 289 T C 2.068 176.650 174.700 -0.196 0.000 1.039 289 T CA 1.747 63.767 62.100 -0.133 0.000 1.142 289 T CB -0.229 68.612 68.868 -0.045 0.000 0.866 289 T HN 0.614 nan 8.240 nan 0.000 0.444 290 Q N 0.131 119.766 119.800 -0.274 0.000 2.224 290 Q HA 0.096 4.437 4.340 0.001 0.000 0.203 290 Q C 2.296 178.060 176.000 -0.393 0.000 0.970 290 Q CA 1.079 56.696 55.803 -0.311 0.000 0.865 290 Q CB -0.110 28.415 28.738 -0.355 0.000 0.922 290 Q HN 0.521 nan 8.270 nan 0.000 0.445 291 A N -0.532 121.972 122.820 -0.526 0.000 2.218 291 A HA 0.288 4.609 4.320 0.001 0.000 0.209 291 A C 1.361 178.784 177.584 -0.269 0.000 1.168 291 A CA 0.702 52.449 52.037 -0.484 0.000 0.804 291 A CB -0.168 18.441 19.000 -0.652 0.000 0.834 291 A HN 0.415 nan 8.150 nan 0.000 0.482 292 G N -1.104 107.575 108.800 -0.202 0.000 2.160 292 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 292 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 292 G C 0.534 175.456 174.900 0.036 0.000 1.022 292 G CA 0.438 45.500 45.100 -0.063 0.000 0.741 292 G HN 0.449 nan 8.290 nan 0.000 0.508 293 L N -0.254 120.913 121.223 -0.093 0.000 2.554 293 L HA 0.169 4.510 4.340 0.001 0.000 0.226 293 L C 1.993 179.017 176.870 0.258 0.000 1.137 293 L CA 0.582 55.393 54.840 -0.048 0.000 0.863 293 L CB 0.068 41.848 42.059 -0.466 0.000 0.985 293 L HN 0.087 nan 8.230 nan 0.000 0.451 294 D N 0.023 120.539 120.400 0.193 0.000 2.310 294 D HA -0.185 4.456 4.640 0.001 0.000 0.212 294 D C 1.969 178.363 176.300 0.156 0.000 0.965 294 D CA 0.790 54.913 54.000 0.206 0.000 0.879 294 D CB 0.153 40.993 40.800 0.067 0.000 0.921 294 D HN 0.564 nan 8.370 nan 0.000 0.510 295 Q N -0.753 119.156 119.800 0.181 0.000 2.360 295 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 295 Q C -0.238 175.786 176.000 0.041 0.000 0.915 295 Q CA 0.002 55.845 55.803 0.066 0.000 0.943 295 Q CB -0.072 28.662 28.738 -0.007 0.000 1.064 295 Q HN 0.171 nan 8.270 nan 0.000 0.511 296 Y N 2.091 122.438 120.300 0.078 0.000 2.452 296 Y HA 0.237 4.788 4.550 0.001 0.000 0.348 296 Y C -1.579 174.363 175.900 0.070 0.000 0.985 296 Y CA -2.450 55.704 58.100 0.090 0.000 1.214 296 Y CB 1.233 39.775 38.460 0.137 0.000 1.136 296 Y HN 0.055 nan 8.280 nan 0.000 0.523 297 P HA -0.263 nan 4.420 nan 0.000 0.216 297 P C 1.643 178.978 177.300 0.057 0.000 1.150 297 P CA 1.445 64.577 63.100 0.053 0.000 0.843 297 P CB 0.034 31.754 31.700 0.034 0.000 0.787 298 F N -1.011 118.909 119.950 -0.049 0.000 2.186 298 F HA -0.114 4.414 4.527 0.001 0.000 0.299 298 F C 2.214 177.905 175.800 -0.181 0.000 1.090 298 F CA 1.066 58.971 58.000 -0.157 0.000 1.307 298 F CB -0.786 38.048 39.000 -0.277 0.000 1.019 298 F HN 0.011 nan 8.300 nan 0.000 0.489 299 W N 1.197 122.286 121.300 -0.352 0.000 2.388 299 W HA -0.188 4.473 4.660 0.001 0.000 0.294 299 W C 1.880 178.241 176.519 -0.263 0.000 1.212 299 W CA 1.315 58.455 57.345 -0.341 0.000 1.271 299 W CB -0.387 29.031 29.460 -0.071 0.000 1.126 299 W HN 0.134 nan 8.180 nan 0.000 0.535 300 Q N 0.280 119.847 119.800 -0.388 0.000 2.135 300 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 300 Q C 2.336 178.043 176.000 -0.489 0.000 0.981 300 Q CA 1.788 57.308 55.803 -0.472 0.000 0.856 300 Q CB -0.221 28.373 28.738 -0.240 0.000 0.902 300 Q HN 0.318 nan 8.270 nan 0.000 0.425 301 R N -0.060 120.148 120.500 -0.485 0.000 2.075 301 R HA -0.012 4.329 4.340 0.001 0.000 0.226 301 R C 2.241 178.139 176.300 -0.671 0.000 1.114 301 R CA 1.134 56.882 56.100 -0.586 0.000 0.972 301 R CB -0.264 29.665 30.300 -0.619 0.000 0.869 301 R HN 0.311 nan 8.270 nan 0.000 0.437 302 M N 0.307 119.516 119.600 -0.650 0.000 2.132 302 M HA -0.181 4.300 4.480 0.001 0.000 0.263 302 M C 2.356 178.452 176.300 -0.341 0.000 1.065 302 M CA 1.657 56.786 55.300 -0.285 0.000 1.122 302 M CB -0.259 32.237 32.600 -0.174 0.000 1.365 302 M HN 0.178 nan 8.290 nan 0.000 0.411 303 H N 0.102 118.556 119.070 -1.027 0.000 2.421 303 H HA -0.057 4.500 4.556 0.001 0.000 0.298 303 H C 1.583 176.630 175.328 -0.468 0.000 1.087 303 H CA 1.811 57.193 56.048 -1.110 0.000 1.330 303 H CB 0.149 29.005 29.762 -1.509 0.000 1.388 303 H HN 0.538 nan 8.280 nan 0.000 0.526 304 A N 0.231 122.810 122.820 -0.402 0.000 2.123 304 A HA -0.024 4.297 4.320 0.001 0.000 0.214 304 A C 0.412 177.645 177.584 -0.585 0.000 1.152 304 A CA 0.287 52.048 52.037 -0.460 0.000 0.728 304 A CB -0.035 18.641 19.000 -0.539 0.000 0.814 304 A HN 0.454 nan 8.150 nan 0.000 0.464 305 H N -0.437 118.542 119.070 -0.151 0.000 2.340 305 H HA 0.198 4.755 4.556 0.001 0.000 0.233 305 H C -2.115 173.443 175.328 0.383 0.000 1.435 305 H CA -1.414 54.655 56.048 0.034 0.000 1.389 305 H CB 0.816 30.469 29.762 -0.182 0.000 1.491 305 H HN 0.342 nan 8.280 nan 0.000 0.518 306 P HA 0.009 nan 4.420 nan 0.000 0.224 306 P C 0.776 178.329 177.300 0.422 0.000 1.157 306 P CA 0.476 63.840 63.100 0.441 0.000 0.799 306 P CB 0.715 32.588 31.700 0.287 0.000 0.809 307 A N -0.538 122.487 122.820 0.342 0.000 2.252 307 A HA 0.296 4.616 4.320 0.001 0.000 0.305 307 A C -0.594 176.771 177.584 -0.365 0.000 1.097 307 A CA -0.527 51.608 52.037 0.163 0.000 0.849 307 A CB -0.229 18.954 19.000 0.306 0.000 1.142 307 A HN 0.012 nan 8.150 nan 0.000 0.499 308 Y N 2.165 121.721 120.300 -1.241 0.000 2.734 308 Y HA 0.165 4.716 4.550 0.001 0.000 0.353 308 Y C 0.242 175.902 175.900 -0.400 0.000 1.244 308 Y CA -0.979 56.338 58.100 -1.305 0.000 1.950 308 Y CB -1.121 36.374 38.460 -1.608 0.000 2.028 308 Y HN 0.774 nan 8.280 nan 0.000 0.421 309 D N -0.097 120.177 120.400 -0.210 0.000 2.453 309 D HA 0.265 4.905 4.640 0.001 0.000 0.282 309 D C 1.577 177.738 176.300 -0.233 0.000 1.222 309 D CA 0.092 54.011 54.000 -0.135 0.000 1.079 309 D CB -0.070 40.754 40.800 0.040 0.000 1.128 309 D HN 0.170 nan 8.370 nan 0.000 0.568 310 A N -1.026 121.704 122.820 -0.151 0.000 1.978 310 A HA -0.126 4.195 4.320 0.001 0.000 0.220 310 A C 1.980 179.420 177.584 -0.241 0.000 1.170 310 A CA 1.351 53.283 52.037 -0.174 0.000 0.636 310 A CB -1.257 17.683 19.000 -0.101 0.000 0.810 310 A HN 0.534 nan 8.150 nan 0.000 0.448 311 F N -1.210 118.432 119.950 -0.514 0.000 2.171 311 F HA -0.133 4.395 4.527 0.001 0.000 0.300 311 F C 1.828 177.248 175.800 -0.634 0.000 1.090 311 F CA 1.657 59.212 58.000 -0.742 0.000 1.293 311 F CB -0.261 37.890 39.000 -1.415 0.000 1.013 311 F HN 0.405 nan 8.300 nan 0.000 0.486 312 W N 0.099 121.219 121.300 -0.300 0.000 2.539 312 W HA 0.049 4.709 4.660 0.001 0.000 0.281 312 W C 2.487 178.751 176.519 -0.424 0.000 1.220 312 W CA 0.385 57.552 57.345 -0.297 0.000 1.332 312 W CB -0.577 28.767 29.460 -0.194 0.000 1.095 312 W HN -0.091 nan 8.180 nan 0.000 0.571 313 Q N -0.050 119.463 119.800 -0.477 0.000 2.124 313 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 313 Q C 2.334 178.231 176.000 -0.172 0.000 0.977 313 Q CA 1.467 56.998 55.803 -0.454 0.000 0.850 313 Q CB -0.652 27.804 28.738 -0.470 0.000 0.901 313 Q HN 0.365 nan 8.270 nan 0.000 0.429 314 G N -0.226 108.461 108.800 -0.187 0.000 2.848 314 G HA2 -0.159 3.802 3.960 0.001 0.000 0.208 314 G HA3 -0.159 3.802 3.960 0.001 0.000 0.208 314 G C 0.939 175.786 174.900 -0.088 0.000 1.152 314 G CA 0.043 45.064 45.100 -0.131 0.000 0.789 314 G HN 0.256 nan 8.290 nan 0.000 0.531 315 Q N -0.623 119.142 119.800 -0.059 0.000 2.217 315 Q HA 0.335 4.675 4.340 0.001 0.000 0.217 315 Q C 0.877 176.989 176.000 0.187 0.000 0.844 315 Q CA -0.355 55.479 55.803 0.052 0.000 0.957 315 Q CB 1.079 29.822 28.738 0.008 0.000 1.127 315 Q HN 0.326 nan 8.270 nan 0.000 0.503 316 A N 1.412 124.336 122.820 0.173 0.000 2.545 316 A HA 0.132 4.453 4.320 0.001 0.000 0.297 316 A C 0.981 178.690 177.584 0.209 0.000 1.340 316 A CA -0.003 52.171 52.037 0.228 0.000 1.016 316 A CB -0.273 18.875 19.000 0.245 0.000 1.122 316 A HN 0.388 nan 8.150 nan 0.000 0.537 317 L N 1.329 122.698 121.223 0.245 0.000 2.265 317 L HA -0.160 4.181 4.340 0.001 0.000 0.215 317 L C 2.029 179.023 176.870 0.206 0.000 1.117 317 L CA 1.309 56.290 54.840 0.234 0.000 0.782 317 L CB -0.503 41.729 42.059 0.288 0.000 0.914 317 L HN 0.808 nan 8.230 nan 0.000 0.441 318 D N 0.276 120.800 120.400 0.206 0.000 2.123 318 D HA -0.196 4.445 4.640 0.001 0.000 0.200 318 D C 1.917 178.295 176.300 0.130 0.000 0.976 318 D CA 1.107 55.196 54.000 0.149 0.000 0.831 318 D CB -0.107 40.801 40.800 0.181 0.000 0.974 318 D HN 0.142 nan 8.370 nan 0.000 0.469 319 K N 0.262 120.753 120.400 0.152 0.000 2.062 319 K HA 0.157 4.478 4.320 0.001 0.000 0.205 319 K C 2.329 178.992 176.600 0.105 0.000 1.051 319 K CA 0.418 56.780 56.287 0.125 0.000 0.941 319 K CB -0.148 32.434 32.500 0.137 0.000 0.719 319 K HN 0.170 nan 8.250 nan 0.000 0.440 320 I N 0.203 120.841 120.570 0.114 0.000 2.202 320 I HA -0.240 3.930 4.170 0.001 0.000 0.242 320 I C 2.009 178.190 176.117 0.106 0.000 1.091 320 I CA 0.666 62.027 61.300 0.101 0.000 1.368 320 I CB -0.196 37.867 38.000 0.104 0.000 1.058 320 I HN 0.089 nan 8.210 nan 0.000 0.410 321 L N 1.211 122.512 121.223 0.130 0.000 2.079 321 L HA -0.147 4.194 4.340 0.001 0.000 0.210 321 L C 2.458 179.400 176.870 0.119 0.000 1.081 321 L CA 2.043 56.969 54.840 0.144 0.000 0.752 321 L CB -0.775 41.407 42.059 0.205 0.000 0.896 321 L HN 0.201 nan 8.230 nan 0.000 0.433 322 A N -1.535 121.342 122.820 0.094 0.000 2.015 322 A HA -0.202 4.119 4.320 0.001 0.000 0.219 322 A C 2.221 179.841 177.584 0.060 0.000 1.163 322 A CA 1.466 53.543 52.037 0.066 0.000 0.646 322 A CB -0.424 18.602 19.000 0.043 0.000 0.806 322 A HN 0.600 nan 8.150 nan 0.000 0.448 323 Q N -1.069 118.770 119.800 0.066 0.000 2.389 323 Q HA 0.039 4.380 4.340 0.001 0.000 0.204 323 Q C 1.979 178.013 176.000 0.057 0.000 0.944 323 Q CA 0.482 56.319 55.803 0.056 0.000 0.908 323 Q CB 0.163 28.934 28.738 0.056 0.000 1.002 323 Q HN 0.439 nan 8.270 nan 0.000 0.493 324 R N 0.489 121.030 120.500 0.068 0.000 2.210 324 R HA 0.080 4.420 4.340 0.001 0.000 0.203 324 R C -0.118 176.221 176.300 0.065 0.000 1.010 324 R CA 0.314 56.455 56.100 0.068 0.000 1.008 324 R CB 0.155 30.503 30.300 0.080 0.000 0.923 324 R HN 0.087 nan 8.270 nan 0.000 0.469 325 K N 1.543 121.984 120.400 0.069 0.000 4.868 325 K HA -0.103 4.217 4.320 0.001 0.000 0.314 325 K C -2.353 174.288 176.600 0.069 0.000 0.932 325 K CA 0.120 56.446 56.287 0.065 0.000 0.998 325 K CB -0.972 31.558 32.500 0.049 0.000 1.704 325 K HN 0.263 nan 8.250 nan 0.000 0.426 326 P HA 0.074 nan 4.420 nan 0.000 0.276 326 P C 0.511 177.849 177.300 0.064 0.000 1.244 326 P CA -0.127 63.020 63.100 0.078 0.000 0.801 326 P CB 0.897 32.659 31.700 0.102 0.000 1.006 327 T N -3.223 111.355 114.554 0.040 0.000 3.132 327 T HA 0.208 4.559 4.350 0.001 0.000 0.274 327 T C 0.405 175.095 174.700 -0.016 0.000 1.011 327 T CA -0.241 61.873 62.100 0.023 0.000 0.899 327 T CB -0.373 68.506 68.868 0.017 0.000 1.089 327 T HN 0.086 nan 8.240 nan 0.000 0.543 328 V N 3.823 123.723 119.914 -0.024 0.000 2.432 328 V HA 0.348 4.469 4.120 0.001 0.000 0.271 328 V C -2.304 173.734 176.094 -0.093 0.000 1.046 328 V CA -2.178 60.064 62.300 -0.097 0.000 0.945 328 V CB 0.997 32.769 31.823 -0.087 0.000 0.992 328 V HN 0.220 nan 8.190 nan 0.000 0.471 329 P HA 0.121 nan 4.420 nan 0.000 0.261 329 P C -0.498 176.843 177.300 0.067 0.000 1.183 329 P CA 0.582 63.621 63.100 -0.102 0.000 0.761 329 P CB 0.287 31.644 31.700 -0.571 0.000 0.785 330 M N 2.875 122.602 119.600 0.211 0.000 2.602 330 M HA 0.488 4.969 4.480 0.001 0.000 0.312 330 M C -0.419 175.946 176.300 0.109 0.000 1.181 330 M CA -0.605 54.750 55.300 0.091 0.000 0.910 330 M CB 2.207 34.770 32.600 -0.061 0.000 1.723 330 M HN 0.128 nan 8.290 nan 0.000 0.459 331 L N 2.171 123.356 121.223 -0.064 0.000 2.485 331 L HA 0.418 4.759 4.340 0.001 0.000 0.260 331 L C -1.909 174.855 176.870 -0.177 0.000 0.998 331 L CA -0.224 54.554 54.840 -0.104 0.000 0.883 331 L CB 0.903 42.942 42.059 -0.033 0.000 1.196 331 L HN 0.780 nan 8.230 nan 0.000 0.443 332 W N 3.633 124.934 121.300 0.001 0.000 2.261 332 W HA 0.421 5.082 4.660 0.001 0.000 0.323 332 W C 0.565 177.000 176.519 -0.140 0.000 1.243 332 W CA 0.040 57.375 57.345 -0.017 0.000 1.210 332 W CB 0.921 30.411 29.460 0.049 0.000 1.149 332 W HN 0.320 nan 8.180 nan 0.000 0.562 333 E N 2.954 123.226 120.200 0.120 0.000 2.356 333 E HA 0.318 4.668 4.350 0.001 0.000 0.275 333 E C -1.352 175.283 176.600 0.058 0.000 0.904 333 E CA -0.706 55.679 56.400 -0.025 0.000 0.757 333 E CB 2.272 31.868 29.700 -0.174 0.000 1.232 333 E HN 0.670 nan 8.360 nan 0.000 0.442 334 Q N 1.360 121.183 119.800 0.038 0.000 2.594 334 Q HA 0.625 4.965 4.340 0.001 0.000 0.278 334 Q C -0.913 175.129 176.000 0.071 0.000 0.961 334 Q CA -1.035 54.821 55.803 0.088 0.000 0.844 334 Q CB 0.832 29.620 28.738 0.084 0.000 1.475 334 Q HN 0.478 nan 8.270 nan 0.000 0.389 335 G N 0.866 109.744 108.800 0.130 0.000 2.507 335 G HA2 0.394 4.355 3.960 0.001 0.000 0.271 335 G HA3 0.394 4.355 3.960 0.001 0.000 0.271 335 G C 0.216 175.041 174.900 -0.125 0.000 1.189 335 G CA -0.867 44.274 45.100 0.069 0.000 0.859 335 G HN 0.638 nan 8.290 nan 0.000 0.542 336 L N -0.258 120.761 121.223 -0.340 0.000 2.217 336 L HA 0.065 4.406 4.340 0.001 0.000 0.211 336 L C 0.978 177.520 176.870 -0.545 0.000 1.107 336 L CA 0.605 55.112 54.840 -0.555 0.000 0.783 336 L CB 0.056 41.558 42.059 -0.929 0.000 0.919 336 L HN 0.517 nan 8.230 nan 0.000 0.442 337 W N 0.049 121.273 121.300 -0.127 0.000 1.931 337 W HA 0.206 4.867 4.660 0.001 0.000 0.346 337 W C -0.085 176.371 176.519 -0.104 0.000 0.775 337 W CA -0.932 56.332 57.345 -0.135 0.000 2.738 337 W CB 0.064 29.434 29.460 -0.150 0.000 1.908 337 W HN -0.073 nan 8.180 nan 0.000 0.665 338 D N 2.457 122.919 120.400 0.104 0.000 2.383 338 D HA -0.045 4.595 4.640 0.001 0.000 0.245 338 D C 1.700 178.048 176.300 0.079 0.000 1.263 338 D CA 0.473 54.556 54.000 0.138 0.000 0.936 338 D CB 0.972 41.876 40.800 0.173 0.000 1.053 338 D HN 0.190 nan 8.370 nan 0.000 0.507 339 Q N 2.599 122.389 119.800 -0.017 0.000 2.482 339 Q HA -0.087 4.253 4.340 0.001 0.000 0.209 339 Q C 0.246 176.245 176.000 -0.002 0.000 0.961 339 Q CA 1.062 56.788 55.803 -0.128 0.000 0.945 339 Q CB 0.250 28.706 28.738 -0.470 0.000 1.012 339 Q HN 0.579 nan 8.270 nan 0.000 0.515 340 E N 0.026 120.222 120.200 -0.008 0.000 2.367 340 E HA 0.118 4.469 4.350 0.001 0.000 0.204 340 E C -0.255 176.285 176.600 -0.100 0.000 0.840 340 E CA 0.101 56.421 56.400 -0.133 0.000 1.051 340 E CB 0.730 30.091 29.700 -0.565 0.000 1.051 340 E HN 0.267 nan 8.360 nan 0.000 0.509 341 D N 0.757 121.180 120.400 0.039 0.000 2.552 341 D HA 0.114 4.755 4.640 0.001 0.000 0.285 341 D C 0.257 176.681 176.300 0.206 0.000 1.206 341 D CA -0.022 54.060 54.000 0.138 0.000 0.826 341 D CB 1.231 42.147 40.800 0.194 0.000 1.179 341 D HN 0.002 nan 8.370 nan 0.000 0.508 342 M N 0.307 120.033 119.600 0.211 0.000 2.288 342 M HA 0.031 4.512 4.480 0.001 0.000 0.266 342 M C 1.609 178.037 176.300 0.214 0.000 1.072 342 M CA 1.206 56.621 55.300 0.192 0.000 1.132 342 M CB 0.070 32.794 32.600 0.208 0.000 1.386 342 M HN 0.409 nan 8.290 nan 0.000 0.432 343 W N 0.428 121.742 121.300 0.024 0.000 2.441 343 W HA 0.023 4.684 4.660 0.001 0.000 0.302 343 W C 1.712 178.326 176.519 0.159 0.000 1.191 343 W CA 1.612 58.989 57.345 0.054 0.000 1.327 343 W CB -0.939 28.412 29.460 -0.183 0.000 1.128 343 W HN 0.330 nan 8.180 nan 0.000 0.522 344 G N 1.556 110.570 108.800 0.357 0.000 2.907 344 G HA2 -0.452 3.509 3.960 0.001 0.000 0.235 344 G HA3 -0.452 3.509 3.960 0.001 0.000 0.235 344 G C 1.609 176.620 174.900 0.184 0.000 1.198 344 G CA 2.836 48.111 45.100 0.291 0.000 0.766 344 G HN 0.416 nan 8.290 nan 0.000 0.763 345 A N 0.195 123.129 122.820 0.190 0.000 1.851 345 A HA -0.054 4.267 4.320 0.001 0.000 0.216 345 A C 2.539 180.090 177.584 -0.054 0.000 1.195 345 A CA 2.220 54.347 52.037 0.151 0.000 0.622 345 A CB -0.631 18.513 19.000 0.241 0.000 0.831 345 A HN 0.807 nan 8.150 nan 0.000 0.444 346 I N -1.233 119.312 120.570 -0.042 0.000 2.151 346 I HA -0.331 3.839 4.170 0.001 0.000 0.243 346 I C 2.299 178.320 176.117 -0.160 0.000 1.080 346 I CA 2.387 63.639 61.300 -0.080 0.000 1.339 346 I CB -0.193 37.720 38.000 -0.146 0.000 1.039 346 I HN 0.516 nan 8.210 nan 0.000 0.409 347 H N 0.106 119.022 119.070 -0.257 0.000 2.428 347 H HA 0.068 4.624 4.556 0.001 0.000 0.296 347 H C 2.173 177.372 175.328 -0.216 0.000 1.062 347 H CA 1.308 57.172 56.048 -0.307 0.000 1.350 347 H CB -0.229 29.171 29.762 -0.602 0.000 1.403 347 H HN 0.469 nan 8.280 nan 0.000 0.533 348 A N 0.165 122.859 122.820 -0.210 0.000 1.897 348 A HA -0.160 4.160 4.320 0.001 0.000 0.215 348 A C 2.090 179.294 177.584 -0.632 0.000 1.181 348 A CA 1.238 53.003 52.037 -0.454 0.000 0.620 348 A CB -1.000 17.504 19.000 -0.826 0.000 0.821 348 A HN 0.675 nan 8.150 nan 0.000 0.443 349 W N 0.666 121.404 121.300 -0.937 0.000 2.381 349 W HA -0.182 4.479 4.660 0.001 0.000 0.301 349 W C 2.167 178.525 176.519 -0.269 0.000 1.205 349 W CA 1.996 58.926 57.345 -0.692 0.000 1.285 349 W CB -0.229 28.936 29.460 -0.492 0.000 1.133 349 W HN 0.385 nan 8.180 nan 0.000 0.521 350 Q N 0.914 120.532 119.800 -0.304 0.000 2.079 350 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 350 Q C 2.273 178.063 176.000 -0.350 0.000 0.974 350 Q CA 2.670 58.194 55.803 -0.464 0.000 0.840 350 Q CB -0.822 27.789 28.738 -0.213 0.000 0.898 350 Q HN 0.281 nan 8.270 nan 0.000 0.430 351 A N -0.041 122.650 122.820 -0.214 0.000 1.933 351 A HA -0.122 4.199 4.320 0.001 0.000 0.218 351 A C 2.051 179.558 177.584 -0.129 0.000 1.175 351 A CA 1.347 53.313 52.037 -0.117 0.000 0.628 351 A CB -0.668 18.311 19.000 -0.035 0.000 0.814 351 A HN 0.455 nan 8.150 nan 0.000 0.444 352 L N -1.037 120.082 121.223 -0.174 0.000 2.156 352 L HA -0.106 4.235 4.340 0.001 0.000 0.208 352 L C 2.573 179.343 176.870 -0.166 0.000 1.095 352 L CA 1.489 56.264 54.840 -0.108 0.000 0.770 352 L CB -0.263 41.784 42.059 -0.020 0.000 0.914 352 L HN 0.373 nan 8.230 nan 0.000 0.439 353 K N -0.117 120.077 120.400 -0.343 0.000 2.097 353 K HA -0.163 4.157 4.320 0.001 0.000 0.205 353 K C 1.486 177.958 176.600 -0.214 0.000 1.050 353 K CA 1.340 57.415 56.287 -0.354 0.000 0.938 353 K CB 0.108 32.210 32.500 -0.664 0.000 0.718 353 K HN 0.234 nan 8.250 nan 0.000 0.442 354 D N 0.085 120.368 120.400 -0.195 0.000 2.224 354 D HA -0.077 4.564 4.640 0.001 0.000 0.205 354 D C 1.310 177.570 176.300 -0.067 0.000 0.965 354 D CA 0.836 54.766 54.000 -0.116 0.000 0.852 354 D CB 0.098 40.840 40.800 -0.096 0.000 0.947 354 D HN 0.242 nan 8.370 nan 0.000 0.494 355 A N 0.327 123.111 122.820 -0.059 0.000 2.238 355 A HA 0.016 4.337 4.320 0.001 0.000 0.208 355 A C 0.228 177.803 177.584 -0.015 0.000 1.177 355 A CA 0.273 52.297 52.037 -0.023 0.000 0.804 355 A CB -0.043 18.953 19.000 -0.006 0.000 0.823 355 A HN 0.042 nan 8.150 nan 0.000 0.482 356 D N -1.132 119.249 120.400 -0.031 0.000 2.746 356 D HA -0.137 4.503 4.640 0.001 0.000 0.241 356 D C -0.156 176.148 176.300 0.007 0.000 1.140 356 D CA 0.827 54.818 54.000 -0.014 0.000 0.707 356 D CB -1.685 39.113 40.800 -0.004 0.000 1.034 356 D HN 0.366 nan 8.370 nan 0.000 0.423 357 V N 1.846 121.765 119.914 0.008 0.000 2.673 357 V HA 0.023 4.143 4.120 0.001 0.000 0.303 357 V C 0.949 177.075 176.094 0.054 0.000 1.046 357 V CA 0.385 62.710 62.300 0.040 0.000 1.126 357 V CB 0.871 32.731 31.823 0.062 0.000 0.934 357 V HN 0.172 nan 8.190 nan 0.000 0.487 358 K N 6.106 126.541 120.400 0.058 0.000 3.141 358 K HA 0.582 4.903 4.320 0.001 0.000 0.248 358 K C -0.251 176.393 176.600 0.072 0.000 1.282 358 K CA 0.298 56.621 56.287 0.061 0.000 1.251 358 K CB 0.439 32.969 32.500 0.049 0.000 1.533 358 K HN 0.777 nan 8.250 nan 0.000 0.409 359 A N 0.974 123.850 122.820 0.093 0.000 2.605 359 A HA 0.502 4.822 4.320 0.001 0.000 0.294 359 A C -2.938 174.741 177.584 0.159 0.000 1.062 359 A CA -1.285 50.815 52.037 0.105 0.000 0.682 359 A CB 1.009 20.054 19.000 0.076 0.000 1.278 359 A HN 0.012 nan 8.150 nan 0.000 0.410 360 P HA 0.182 nan 4.420 nan 0.000 0.260 360 P C -0.813 176.668 177.300 0.301 0.000 1.185 360 P CA 0.630 63.902 63.100 0.287 0.000 0.763 360 P CB 0.189 32.145 31.700 0.426 0.000 0.776 361 N N 2.135 121.025 118.700 0.317 0.000 2.664 361 N HA 0.247 4.987 4.740 0.001 0.000 0.257 361 N C -1.353 174.517 175.510 0.600 0.000 1.108 361 N CA -0.247 53.071 53.050 0.447 0.000 0.822 361 N CB 0.589 39.279 38.487 0.339 0.000 1.199 361 N HN 0.070 nan 8.380 nan 0.000 0.529 362 T N 2.266 117.072 114.554 0.419 0.000 2.829 362 T HA 0.470 4.821 4.350 0.001 0.000 0.280 362 T C -0.747 173.922 174.700 -0.051 0.000 0.999 362 T CA -0.456 61.759 62.100 0.191 0.000 0.983 362 T CB 1.291 70.129 68.868 -0.050 0.000 0.968 362 T HN 0.329 nan 8.240 nan 0.000 0.446 363 L N 4.230 125.124 121.223 -0.549 0.000 2.296 363 L HA 0.770 5.110 4.340 0.001 0.000 0.286 363 L C -1.212 175.327 176.870 -0.550 0.000 1.023 363 L CA -0.442 53.948 54.840 -0.750 0.000 0.812 363 L CB 1.189 42.260 42.059 -1.648 0.000 1.223 363 L HN 0.425 nan 8.230 nan 0.000 0.421 364 V N 6.571 126.251 119.914 -0.390 0.000 2.448 364 V HA 0.541 4.661 4.120 0.001 0.000 0.295 364 V C -0.154 175.737 176.094 -0.338 0.000 1.025 364 V CA -0.388 61.681 62.300 -0.384 0.000 0.859 364 V CB 1.635 33.194 31.823 -0.439 0.000 0.988 364 V HN 0.794 nan 8.190 nan 0.000 0.431 365 M N 4.101 123.488 119.600 -0.354 0.000 2.106 365 M HA 0.572 5.053 4.480 0.001 0.000 0.288 365 M C 0.268 176.215 176.300 -0.589 0.000 0.941 365 M CA -0.189 54.867 55.300 -0.406 0.000 0.934 365 M CB 2.045 34.386 32.600 -0.432 0.000 1.551 365 M HN 0.777 nan 8.290 nan 0.000 0.437 366 G N 2.374 110.481 108.800 -1.154 0.000 2.601 366 G HA2 0.729 4.689 3.960 0.001 0.000 0.317 366 G HA3 0.729 4.689 3.960 0.001 0.000 0.317 366 G C -2.766 171.113 174.900 -1.702 0.000 1.246 366 G CA -1.274 42.617 45.100 -2.016 0.000 1.012 366 G HN 0.410 nan 8.290 nan 0.000 0.494 367 P HA 0.205 nan 4.420 nan 0.000 0.212 367 P C -0.919 175.988 177.300 -0.654 0.000 1.816 367 P CA -0.170 62.236 63.100 -1.156 0.000 0.944 367 P CB -0.114 30.428 31.700 -1.930 0.000 1.896 368 W N 1.674 122.922 121.300 -0.087 0.000 2.850 368 W HA 0.463 5.124 4.660 0.001 0.000 0.349 368 W C 0.687 177.270 176.519 0.107 0.000 1.133 368 W CA -0.779 56.581 57.345 0.026 0.000 1.117 368 W CB 0.592 30.045 29.460 -0.011 0.000 1.442 368 W HN 0.009 nan 8.180 nan 0.000 0.575 369 R N -0.333 120.375 120.500 0.347 0.000 2.603 369 R HA 0.391 4.732 4.340 0.001 0.000 0.231 369 R C -0.213 176.229 176.300 0.236 0.000 1.263 369 R CA -0.828 55.404 56.100 0.220 0.000 1.102 369 R CB -0.249 30.123 30.300 0.120 0.000 1.527 369 R HN 0.359 nan 8.270 nan 0.000 0.554 370 H N -0.105 119.031 119.070 0.109 0.000 3.046 370 H HA 0.058 4.614 4.556 0.001 0.000 0.303 370 H C -0.277 175.152 175.328 0.167 0.000 1.002 370 H CA 1.491 57.621 56.048 0.137 0.000 1.460 370 H CB 0.141 29.979 29.762 0.127 0.000 1.493 370 H HN 0.704 nan 8.280 nan 0.000 0.559 371 S N 1.900 117.407 115.700 -0.320 0.000 3.084 371 S HA -0.234 4.236 4.470 0.001 0.000 0.277 371 S C 1.844 176.486 174.600 0.071 0.000 1.295 371 S CA 0.929 59.030 58.200 -0.164 0.000 1.170 371 S CB -1.669 61.453 63.200 -0.129 0.000 1.412 371 S HN 1.023 nan 8.310 nan 0.000 0.669 372 G N 0.392 109.246 108.800 0.091 0.000 2.501 372 G HA2 -0.081 3.880 3.960 0.001 0.000 0.220 372 G HA3 -0.081 3.880 3.960 0.001 0.000 0.220 372 G C 1.190 175.909 174.900 -0.301 0.000 1.114 372 G CA 0.986 46.141 45.100 0.091 0.000 0.757 372 G HN 0.670 nan 8.290 nan 0.000 0.559 373 V N 0.944 120.545 119.914 -0.522 0.000 2.759 373 V HA -0.072 4.049 4.120 0.001 0.000 0.256 373 V C 1.717 177.523 176.094 -0.479 0.000 1.080 373 V CA 1.645 63.389 62.300 -0.926 0.000 1.101 373 V CB -0.273 31.118 31.823 -0.721 0.000 0.698 373 V HN 0.352 nan 8.190 nan 0.000 0.477 374 N N -1.455 117.031 118.700 -0.356 0.000 2.280 374 N HA 0.121 4.862 4.740 0.001 0.000 0.192 374 N C -0.063 175.002 175.510 -0.743 0.000 1.109 374 N CA 0.276 53.035 53.050 -0.483 0.000 0.855 374 N CB 0.370 38.528 38.487 -0.547 0.000 0.974 374 N HN 0.576 nan 8.380 nan 0.000 0.482 375 Y N -0.230 120.002 120.300 -0.114 0.000 3.338 375 Y HA 0.323 4.874 4.550 0.001 0.000 0.293 375 Y C 0.642 176.512 175.900 -0.050 0.000 1.809 375 Y CA -1.078 56.987 58.100 -0.058 0.000 0.882 375 Y CB 0.033 38.473 38.460 -0.033 0.000 1.367 375 Y HN -0.239 nan 8.280 nan 0.000 0.672 376 N N 0.420 119.233 118.700 0.188 0.000 2.422 376 N HA 0.228 4.969 4.740 0.001 0.000 0.266 376 N C -0.116 175.494 175.510 0.168 0.000 1.007 376 N CA 0.063 53.193 53.050 0.133 0.000 0.941 376 N CB 1.470 40.025 38.487 0.113 0.000 1.115 376 N HN 0.854 nan 8.380 nan 0.000 0.492 377 G N 1.629 110.555 108.800 0.210 0.000 3.702 377 G HA2 0.033 3.994 3.960 0.001 0.000 0.288 377 G HA3 0.033 3.994 3.960 0.001 0.000 0.288 377 G C 0.859 176.004 174.900 0.409 0.000 1.193 377 G CA -0.232 45.099 45.100 0.384 0.000 0.952 377 G HN 0.524 nan 8.290 nan 0.000 0.544 378 S N -0.132 115.746 115.700 0.297 0.000 2.395 378 S HA 0.059 4.530 4.470 0.001 0.000 0.225 378 S C 1.615 176.329 174.600 0.189 0.000 1.027 378 S CA 1.205 59.551 58.200 0.243 0.000 0.965 378 S CB 0.191 63.468 63.200 0.129 0.000 0.812 378 S HN 0.690 nan 8.310 nan 0.000 0.482 379 T N -1.063 113.580 114.554 0.149 0.000 2.831 379 T HA 0.743 5.094 4.350 0.001 0.000 0.287 379 T C -1.457 173.311 174.700 0.113 0.000 1.070 379 T CA -0.793 61.261 62.100 -0.077 0.000 1.010 379 T CB 1.811 70.614 68.868 -0.109 0.000 1.264 379 T HN -0.010 nan 8.240 nan 0.000 0.532 380 L N 0.590 121.776 121.223 -0.062 0.000 2.969 380 L HA 0.558 4.899 4.340 0.001 0.000 0.250 380 L C 0.440 177.209 176.870 -0.170 0.000 0.953 380 L CA 1.479 56.315 54.840 -0.007 0.000 1.066 380 L CB 0.597 42.747 42.059 0.152 0.000 1.497 380 L HN 1.605 nan 8.230 nan 0.000 0.512 381 G N 5.381 114.104 108.800 -0.128 0.000 2.561 381 G HA2 -0.264 3.697 3.960 0.001 0.000 0.289 381 G HA3 -0.264 3.697 3.960 0.001 0.000 0.289 381 G C -1.717 173.083 174.900 -0.166 0.000 1.169 381 G CA 0.243 45.262 45.100 -0.135 0.000 0.980 381 G HN 0.589 nan 8.290 nan 0.000 0.550 382 P HA 0.297 nan 4.420 nan 0.000 0.251 382 P C 0.882 177.983 177.300 -0.332 0.000 1.223 382 P CA 0.219 63.178 63.100 -0.234 0.000 0.796 382 P CB 0.098 31.654 31.700 -0.239 0.000 1.068 383 L N 0.505 121.478 121.223 -0.416 0.000 2.397 383 L HA 0.236 4.577 4.340 0.001 0.000 0.271 383 L C 0.568 176.987 176.870 -0.752 0.000 1.148 383 L CA 0.062 54.567 54.840 -0.558 0.000 0.825 383 L CB 0.317 42.020 42.059 -0.593 0.000 1.117 383 L HN -0.113 nan 8.230 nan 0.000 0.456 384 E N 1.780 121.540 120.200 -0.733 0.000 2.224 384 E HA 0.499 4.850 4.350 0.001 0.000 0.265 384 E C -1.363 174.870 176.600 -0.612 0.000 0.878 384 E CA -0.518 55.505 56.400 -0.628 0.000 0.759 384 E CB 1.813 31.344 29.700 -0.282 0.000 1.164 384 E HN 0.198 nan 8.360 nan 0.000 0.414 385 F N 0.484 120.432 119.950 -0.004 0.000 2.518 385 F HA 0.309 4.837 4.527 0.001 0.000 0.338 385 F C 0.968 176.803 175.800 0.060 0.000 1.065 385 F CA -1.081 56.930 58.000 0.019 0.000 1.012 385 F CB 0.687 39.601 39.000 -0.144 0.000 1.297 385 F HN 0.215 nan 8.300 nan 0.000 0.489 386 E N 1.839 122.244 120.200 0.340 0.000 1.842 386 E HA 0.365 4.716 4.350 0.001 0.000 0.278 386 E C 0.574 177.313 176.600 0.230 0.000 1.171 386 E CA 0.258 56.801 56.400 0.238 0.000 1.127 386 E CB -0.394 29.439 29.700 0.222 0.000 1.100 386 E HN 0.795 nan 8.360 nan 0.000 0.456 387 G N 2.750 111.666 108.800 0.193 0.000 2.760 387 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 387 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 387 G C -0.424 174.614 174.900 0.230 0.000 1.359 387 G CA -0.614 44.601 45.100 0.191 0.000 0.861 387 G HN 0.456 nan 8.290 nan 0.000 0.541 388 D N 0.948 121.486 120.400 0.231 0.000 2.398 388 D HA 0.330 4.971 4.640 0.001 0.000 0.250 388 D C 2.185 178.696 176.300 0.352 0.000 1.287 388 D CA 0.844 55.001 54.000 0.261 0.000 0.992 388 D CB 0.034 40.967 40.800 0.222 0.000 1.071 388 D HN 0.736 nan 8.370 nan 0.000 0.514 389 T N 0.702 115.497 114.554 0.401 0.000 2.833 389 T HA -0.138 4.212 4.350 0.001 0.000 0.269 389 T C 1.821 176.998 174.700 0.796 0.000 1.054 389 T CA 0.948 63.408 62.100 0.599 0.000 1.135 389 T CB -0.027 68.980 68.868 0.232 0.000 0.869 389 T HN 0.255 nan 8.240 nan 0.000 0.466 390 A N 1.495 124.613 122.820 0.496 0.000 1.873 390 A HA -0.063 4.257 4.320 0.001 0.000 0.215 390 A C 2.241 179.914 177.584 0.148 0.000 1.186 390 A CA 1.866 53.917 52.037 0.023 0.000 0.616 390 A CB -1.232 17.561 19.000 -0.344 0.000 0.823 390 A HN 0.698 nan 8.150 nan 0.000 0.442 391 H N -0.350 118.771 119.070 0.085 0.000 2.387 391 H HA -0.096 4.461 4.556 0.001 0.000 0.299 391 H C 2.105 177.465 175.328 0.053 0.000 1.090 391 H CA 2.162 58.232 56.048 0.037 0.000 1.332 391 H CB -0.252 29.532 29.762 0.036 0.000 1.386 391 H HN 0.575 nan 8.280 nan 0.000 0.516 392 Q N -1.092 118.767 119.800 0.097 0.000 2.030 392 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 392 Q C 2.018 177.962 176.000 -0.092 0.000 0.986 392 Q CA 2.020 57.843 55.803 0.034 0.000 0.843 392 Q CB -0.371 28.554 28.738 0.312 0.000 0.904 392 Q HN 0.654 nan 8.270 nan 0.000 0.420 393 Y N 0.848 121.086 120.300 -0.103 0.000 2.181 393 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 393 Y C 1.986 177.799 175.900 -0.144 0.000 1.146 393 Y CA 1.482 59.447 58.100 -0.226 0.000 1.164 393 Y CB -0.056 38.363 38.460 -0.069 0.000 0.982 393 Y HN -0.084 nan 8.280 nan 0.000 0.515 394 R N -0.056 120.221 120.500 -0.372 0.000 2.096 394 R HA -0.160 4.180 4.340 0.001 0.000 0.235 394 R C 2.537 178.549 176.300 -0.480 0.000 1.127 394 R CA 1.694 57.553 56.100 -0.402 0.000 0.968 394 R CB -0.301 29.902 30.300 -0.161 0.000 0.861 394 R HN 0.365 nan 8.270 nan 0.000 0.440 395 R N 0.392 120.607 120.500 -0.474 0.000 2.090 395 R HA -0.065 4.276 4.340 0.001 0.000 0.219 395 R C 0.923 177.031 176.300 -0.320 0.000 1.100 395 R CA 1.283 57.118 56.100 -0.441 0.000 0.991 395 R CB 0.244 30.221 30.300 -0.538 0.000 0.893 395 R HN 0.131 nan 8.270 nan 0.000 0.443 396 D N -0.393 119.837 120.400 -0.284 0.000 2.240 396 D HA -0.028 4.613 4.640 0.001 0.000 0.206 396 D C 1.740 177.943 176.300 -0.163 0.000 0.963 396 D CA 0.814 54.698 54.000 -0.192 0.000 0.863 396 D CB 0.483 41.192 40.800 -0.151 0.000 0.973 396 D HN 0.104 nan 8.370 nan 0.000 0.501 397 V N 0.468 120.234 119.914 -0.246 0.000 2.840 397 V HA -0.024 4.096 4.120 0.001 0.000 0.234 397 V C 1.916 177.932 176.094 -0.130 0.000 1.159 397 V CA 0.027 62.224 62.300 -0.172 0.000 1.194 397 V CB -0.254 31.488 31.823 -0.135 0.000 0.971 397 V HN -0.037 nan 8.190 nan 0.000 0.494 398 F N 2.399 121.936 119.950 -0.688 0.000 2.011 398 F HA -0.235 4.293 4.527 0.001 0.000 0.296 398 F C 2.672 178.301 175.800 -0.285 0.000 1.144 398 F CA 2.630 60.297 58.000 -0.556 0.000 1.185 398 F CB -0.745 37.700 39.000 -0.926 0.000 0.961 398 F HN 0.097 nan 8.300 nan 0.000 0.485 399 R N 0.697 120.910 120.500 -0.479 0.000 2.094 399 R HA -0.158 4.183 4.340 0.001 0.000 0.239 399 R C -0.822 175.386 176.300 -0.153 0.000 1.137 399 R CA 2.342 58.083 56.100 -0.597 0.000 0.943 399 R CB -1.885 27.952 30.300 -0.772 0.000 0.850 399 R HN 0.220 nan 8.270 nan 0.000 0.433 400 P HA -0.094 nan 4.420 nan 0.000 0.217 400 P C 0.941 178.324 177.300 0.138 0.000 1.150 400 P CA 1.000 64.109 63.100 0.015 0.000 0.832 400 P CB -0.204 31.493 31.700 -0.006 0.000 0.787 401 F N -0.963 119.052 119.950 0.109 0.000 2.171 401 F HA -0.129 4.399 4.527 0.001 0.000 0.300 401 F C 1.879 177.921 175.800 0.402 0.000 1.090 401 F CA 1.350 59.494 58.000 0.240 0.000 1.293 401 F CB -0.685 38.509 39.000 0.324 0.000 1.013 401 F HN -0.221 nan 8.300 nan 0.000 0.486 402 F N 0.679 120.726 119.950 0.163 0.000 2.293 402 F HA -0.070 4.458 4.527 0.001 0.000 0.297 402 F C 2.236 178.109 175.800 0.122 0.000 1.089 402 F CA 1.212 59.302 58.000 0.150 0.000 1.377 402 F CB -0.910 38.249 39.000 0.266 0.000 1.051 402 F HN -0.089 nan 8.300 nan 0.000 0.511 403 D N -0.080 120.469 120.400 0.249 0.000 2.178 403 D HA -0.176 4.465 4.640 0.001 0.000 0.201 403 D C 2.209 178.472 176.300 -0.063 0.000 0.980 403 D CA 0.927 55.000 54.000 0.121 0.000 0.842 403 D CB -0.274 40.568 40.800 0.069 0.000 0.948 403 D HN 0.330 nan 8.370 nan 0.000 0.472 404 E N -0.859 119.221 120.200 -0.200 0.000 2.118 404 E HA -0.200 4.151 4.350 0.001 0.000 0.195 404 E C 1.068 177.296 176.600 -0.619 0.000 0.992 404 E CA 1.009 57.120 56.400 -0.483 0.000 0.804 404 E CB 0.070 29.316 29.700 -0.756 0.000 0.741 404 E HN 0.429 nan 8.360 nan 0.000 0.458 405 Y N -1.201 118.974 120.300 -0.208 0.000 2.462 405 Y HA 0.183 4.734 4.550 0.001 0.000 0.253 405 Y C 1.708 177.500 175.900 -0.180 0.000 1.095 405 Y CA 0.057 58.027 58.100 -0.216 0.000 1.283 405 Y CB 0.470 38.743 38.460 -0.313 0.000 1.138 405 Y HN -0.034 nan 8.280 nan 0.000 0.522 406 L N -0.687 120.518 121.223 -0.031 0.000 2.515 406 L HA 0.193 4.534 4.340 0.001 0.000 0.223 406 L C 0.185 176.987 176.870 -0.113 0.000 1.079 406 L CA 0.479 55.279 54.840 -0.067 0.000 0.857 406 L CB 0.304 42.351 42.059 -0.020 0.000 1.050 406 L HN -0.170 nan 8.230 nan 0.000 0.476 407 K N 1.152 121.495 120.400 -0.095 0.000 2.527 407 K HA 0.328 4.649 4.320 0.001 0.000 0.240 407 K C -2.478 174.065 176.600 -0.096 0.000 0.989 407 K CA -1.848 54.375 56.287 -0.107 0.000 0.985 407 K CB 1.570 34.017 32.500 -0.088 0.000 1.221 407 K HN -0.237 nan 8.250 nan 0.000 0.458 408 P HA -0.033 nan 4.420 nan 0.000 0.262 408 P C 0.675 177.931 177.300 -0.073 0.000 1.182 408 P CA 0.873 63.925 63.100 -0.080 0.000 0.761 408 P CB 0.785 32.444 31.700 -0.068 0.000 0.795 409 G N 1.470 110.225 108.800 -0.074 0.000 2.194 409 G HA2 -0.223 3.738 3.960 0.001 0.000 0.236 409 G HA3 -0.223 3.738 3.960 0.001 0.000 0.236 409 G C 0.530 175.390 174.900 -0.067 0.000 0.987 409 G CA -0.075 44.988 45.100 -0.062 0.000 0.635 409 G HN 0.578 nan 8.290 nan 0.000 0.520 410 S N 0.517 116.166 115.700 -0.083 0.000 2.600 410 S HA 0.656 5.127 4.470 0.001 0.000 0.265 410 S C 0.992 175.535 174.600 -0.095 0.000 1.325 410 S CA 0.227 58.377 58.200 -0.083 0.000 1.002 410 S CB 1.152 64.299 63.200 -0.089 0.000 0.921 410 S HN 1.582 nan 8.310 nan 0.000 0.554 411 A N 1.789 124.560 122.820 -0.081 0.000 2.445 411 A HA 0.381 4.702 4.320 0.001 0.000 0.242 411 A C 0.419 177.928 177.584 -0.124 0.000 1.075 411 A CA -0.119 51.871 52.037 -0.079 0.000 0.777 411 A CB 0.086 19.053 19.000 -0.055 0.000 1.013 411 A HN 0.589 nan 8.150 nan 0.000 0.493 412 S N 0.027 115.648 115.700 -0.131 0.000 2.475 412 S HA 0.465 4.936 4.470 0.001 0.000 0.281 412 S C -0.014 174.412 174.600 -0.290 0.000 1.198 412 S CA -0.379 57.680 58.200 -0.236 0.000 1.063 412 S CB 0.487 63.567 63.200 -0.199 0.000 0.972 412 S HN 1.176 nan 8.310 nan 0.000 0.486 413 V N 3.101 122.838 119.914 -0.295 0.000 2.483 413 V HA 0.598 4.719 4.120 0.001 0.000 0.295 413 V C -0.610 175.312 176.094 -0.287 0.000 1.035 413 V CA -0.643 61.556 62.300 -0.169 0.000 0.896 413 V CB 1.332 33.185 31.823 0.051 0.000 0.986 413 V HN 0.850 nan 8.190 nan 0.000 0.447 414 H N 5.203 124.356 119.070 0.139 0.000 2.632 414 H HA 0.467 5.024 4.556 0.001 0.000 0.258 414 H C -0.397 175.024 175.328 0.156 0.000 1.278 414 H CA -0.368 55.771 56.048 0.151 0.000 1.352 414 H CB 1.223 31.051 29.762 0.109 0.000 1.418 414 H HN 0.605 nan 8.280 nan 0.000 0.513 415 L N 4.428 125.792 121.223 0.235 0.000 2.426 415 L HA 0.167 4.508 4.340 0.001 0.000 0.271 415 L C -1.319 175.660 176.870 0.182 0.000 1.169 415 L CA -1.460 53.480 54.840 0.166 0.000 0.836 415 L CB 0.403 42.477 42.059 0.026 0.000 1.112 415 L HN 0.326 nan 8.230 nan 0.000 0.465 416 P HA 0.131 nan 4.420 nan 0.000 0.307 416 P C -0.082 177.330 177.300 0.186 0.000 1.306 416 P CA -0.412 62.798 63.100 0.183 0.000 0.742 416 P CB 0.865 32.679 31.700 0.189 0.000 1.349 417 D N -1.036 119.515 120.400 0.253 0.000 2.117 417 D HA 0.079 4.719 4.640 0.001 0.000 0.197 417 D C 0.452 176.901 176.300 0.248 0.000 0.987 417 D CA 1.421 55.655 54.000 0.390 0.000 0.829 417 D CB -0.219 40.879 40.800 0.497 0.000 0.961 417 D HN 0.516 nan 8.370 nan 0.000 0.460 418 A N -0.735 122.108 122.820 0.038 0.000 2.547 418 A HA 0.623 4.944 4.320 0.001 0.000 0.297 418 A C -1.379 175.995 177.584 -0.350 0.000 1.056 418 A CA -0.597 51.251 52.037 -0.314 0.000 0.688 418 A CB 1.170 19.780 19.000 -0.651 0.000 1.282 418 A HN 0.033 nan 8.150 nan 0.000 0.400 419 I N 2.611 122.904 120.570 -0.462 0.000 2.405 419 I HA 0.384 4.555 4.170 0.001 0.000 0.280 419 I C -1.087 174.833 176.117 -0.328 0.000 1.027 419 I CA -0.021 60.959 61.300 -0.532 0.000 1.161 419 I CB 0.920 38.494 38.000 -0.711 0.000 1.300 419 I HN 0.467 nan 8.210 nan 0.000 0.463 420 I N 5.475 125.869 120.570 -0.293 0.000 2.474 420 I HA 0.314 4.484 4.170 0.001 0.000 0.294 420 I C -0.474 175.517 176.117 -0.210 0.000 1.005 420 I CA -0.921 60.223 61.300 -0.261 0.000 1.113 420 I CB 1.530 39.268 38.000 -0.436 0.000 1.289 420 I HN 0.334 nan 8.210 nan 0.000 0.436 421 Y N 5.595 125.538 120.300 -0.594 0.000 2.411 421 Y HA 0.171 4.722 4.550 0.001 0.000 0.333 421 Y C 0.434 175.990 175.900 -0.574 0.000 1.186 421 Y CA 0.105 57.648 58.100 -0.928 0.000 1.381 421 Y CB 0.635 38.183 38.460 -1.519 0.000 1.273 421 Y HN 0.539 nan 8.280 nan 0.000 0.546 422 N N 3.354 121.491 118.700 -0.938 0.000 2.439 422 N HA 0.020 4.761 4.740 0.001 0.000 0.249 422 N C 0.370 175.591 175.510 -0.481 0.000 1.003 422 N CA 0.331 53.043 53.050 -0.563 0.000 0.942 422 N CB 1.190 39.407 38.487 -0.451 0.000 1.115 422 N HN 0.887 nan 8.380 nan 0.000 0.505 423 T N -0.159 114.306 114.554 -0.148 0.000 3.163 423 T HA 0.083 4.434 4.350 0.001 0.000 0.260 423 T C 1.312 176.068 174.700 0.094 0.000 1.156 423 T CA 0.551 62.741 62.100 0.150 0.000 1.072 423 T CB 0.210 69.236 68.868 0.262 0.000 0.937 423 T HN 0.456 nan 8.240 nan 0.000 0.528 424 G N 0.736 109.375 108.800 -0.268 0.000 2.853 424 G HA2 0.097 4.058 3.960 0.001 0.000 0.202 424 G HA3 0.097 4.058 3.960 0.001 0.000 0.202 424 G C 1.142 175.876 174.900 -0.276 0.000 1.118 424 G CA -0.011 44.807 45.100 -0.469 0.000 0.831 424 G HN 0.358 nan 8.290 nan 0.000 0.613 425 D N 0.708 120.939 120.400 -0.282 0.000 2.317 425 D HA 0.042 4.683 4.640 0.001 0.000 0.211 425 D C 0.464 176.628 176.300 -0.226 0.000 0.966 425 D CA 0.456 54.320 54.000 -0.227 0.000 0.876 425 D CB 0.167 40.833 40.800 -0.223 0.000 0.927 425 D HN 0.128 nan 8.370 nan 0.000 0.519 426 Q N -0.330 119.283 119.800 -0.311 0.000 2.459 426 Q HA -0.214 4.127 4.340 0.001 0.000 0.314 426 Q C -0.421 175.330 176.000 -0.414 0.000 1.432 426 Q CA 0.851 56.488 55.803 -0.276 0.000 0.823 426 Q CB -2.077 26.675 28.738 0.024 0.000 1.124 426 Q HN 0.575 nan 8.270 nan 0.000 0.392 427 K N -2.649 117.240 120.400 -0.851 0.000 2.607 427 K HA 0.605 4.925 4.320 0.001 0.000 0.287 427 K C -1.319 174.872 176.600 -0.683 0.000 0.996 427 K CA -1.025 54.940 56.287 -0.537 0.000 0.876 427 K CB 0.709 33.081 32.500 -0.214 0.000 1.496 427 K HN -0.016 nan 8.250 nan 0.000 0.415 428 W N 1.801 122.992 121.300 -0.181 0.000 2.311 428 W HA 0.266 4.927 4.660 0.001 0.000 0.310 428 W C -0.496 175.954 176.519 -0.115 0.000 1.274 428 W CA 0.204 57.486 57.345 -0.104 0.000 1.215 428 W CB 0.966 30.489 29.460 0.104 0.000 1.227 428 W HN 0.369 nan 8.180 nan 0.000 0.523 429 D N 2.474 122.849 120.400 -0.042 0.000 2.193 429 D HA 0.164 4.805 4.640 0.001 0.000 0.244 429 D C -1.164 174.901 176.300 -0.391 0.000 1.064 429 D CA -0.497 53.324 54.000 -0.299 0.000 0.845 429 D CB 1.179 41.604 40.800 -0.625 0.000 1.148 429 D HN 0.179 nan 8.370 nan 0.000 0.464 430 Y N 1.947 121.972 120.300 -0.457 0.000 2.402 430 Y HA 0.233 4.784 4.550 0.001 0.000 0.332 430 Y C -0.522 175.191 175.900 -0.313 0.000 0.960 430 Y CA -0.735 57.188 58.100 -0.295 0.000 1.228 430 Y CB 0.515 38.895 38.460 -0.133 0.000 1.120 430 Y HN 0.216 nan 8.280 nan 0.000 0.491 431 Y N 2.915 123.254 120.300 0.064 0.000 2.385 431 Y HA 0.336 4.886 4.550 0.001 0.000 0.341 431 Y C 1.537 177.534 175.900 0.161 0.000 0.965 431 Y CA -0.985 57.191 58.100 0.126 0.000 1.180 431 Y CB 0.901 39.461 38.460 0.166 0.000 1.139 431 Y HN 0.535 nan 8.280 nan 0.000 0.502 432 R N 1.026 121.707 120.500 0.302 0.000 2.096 432 R HA -0.077 4.264 4.340 0.001 0.000 0.235 432 R C 0.012 176.466 176.300 0.258 0.000 1.127 432 R CA 0.974 57.217 56.100 0.238 0.000 0.968 432 R CB 0.190 30.598 30.300 0.179 0.000 0.861 432 R HN 0.502 nan 8.270 nan 0.000 0.440 433 S N -0.667 115.205 115.700 0.287 0.000 2.707 433 S HA 0.385 4.855 4.470 0.001 0.000 0.303 433 S C -2.064 172.731 174.600 0.325 0.000 1.132 433 S CA -0.723 57.630 58.200 0.255 0.000 1.046 433 S CB 0.712 64.003 63.200 0.152 0.000 1.004 433 S HN 0.302 nan 8.310 nan 0.000 0.483 434 W N 6.402 127.794 121.300 0.152 0.000 3.129 434 W HA 0.588 5.249 4.660 0.001 0.000 0.333 434 W C -2.919 173.714 176.519 0.189 0.000 1.141 434 W CA -1.564 55.835 57.345 0.090 0.000 1.224 434 W CB 1.521 31.024 29.460 0.073 0.000 1.393 434 W HN 0.468 nan 8.180 nan 0.000 0.499 435 P HA 0.213 nan 4.420 nan 0.000 0.279 435 P C 0.354 177.353 177.300 -0.500 0.000 1.252 435 P CA -0.223 62.144 63.100 -1.221 0.000 0.811 435 P CB 1.667 32.553 31.700 -1.358 0.000 1.035 436 S N -0.049 115.402 115.700 -0.415 0.000 2.496 436 S HA 0.136 4.607 4.470 0.001 0.000 0.224 436 S C 0.558 175.047 174.600 -0.186 0.000 0.996 436 S CA 0.219 58.298 58.200 -0.201 0.000 0.927 436 S CB -0.746 62.379 63.200 -0.125 0.000 0.774 436 S HN 0.379 nan 8.310 nan 0.000 0.524 437 V N -0.604 119.160 119.914 -0.251 0.000 2.808 437 V HA 0.880 5.001 4.120 0.001 0.000 0.308 437 V C -0.331 175.634 176.094 -0.215 0.000 1.099 437 V CA -0.834 61.355 62.300 -0.185 0.000 0.920 437 V CB 0.407 32.147 31.823 -0.137 0.000 1.014 437 V HN 0.854 nan 8.190 nan 0.000 0.425 438 C N 1.848 121.056 119.300 -0.154 0.000 3.253 438 C HA 0.560 5.021 4.460 0.001 0.000 0.362 438 C C 1.144 176.086 174.990 -0.079 0.000 1.487 438 C CA 0.076 59.011 59.018 -0.138 0.000 1.179 438 C CB 1.160 28.794 27.740 -0.176 0.000 1.660 438 C HN 0.990 nan 8.230 nan 0.000 0.438 439 E N 1.507 121.676 120.200 -0.051 0.000 2.033 439 E HA -0.046 4.305 4.350 0.001 0.000 0.199 439 E C 0.787 177.377 176.600 -0.017 0.000 1.011 439 E CA 2.295 58.689 56.400 -0.010 0.000 0.815 439 E CB -0.182 29.539 29.700 0.034 0.000 0.755 439 E HN 0.927 nan 8.360 nan 0.000 0.451 440 S N -0.936 114.749 115.700 -0.026 0.000 2.541 440 S HA 0.434 4.905 4.470 0.001 0.000 0.271 440 S C -0.551 174.025 174.600 -0.039 0.000 1.133 440 S CA -0.772 57.413 58.200 -0.026 0.000 0.876 440 S CB 1.823 65.016 63.200 -0.013 0.000 1.105 440 S HN 0.293 nan 8.310 nan 0.000 0.470 441 N N -1.187 117.492 118.700 -0.036 0.000 2.816 441 N HA -0.124 4.617 4.740 0.001 0.000 0.247 441 N C -0.827 174.649 175.510 -0.056 0.000 1.100 441 N CA 0.860 53.886 53.050 -0.041 0.000 0.687 441 N CB -1.901 36.563 38.487 -0.039 0.000 1.003 441 N HN 0.755 nan 8.380 nan 0.000 0.554 442 C N -1.802 117.464 119.300 -0.058 0.000 3.154 442 C HA 0.498 4.959 4.460 0.001 0.000 0.312 442 C C 2.172 177.129 174.990 -0.055 0.000 1.349 442 C CA -0.349 58.626 59.018 -0.073 0.000 1.518 442 C CB 1.395 29.073 27.740 -0.104 0.000 1.934 442 C HN 0.542 nan 8.230 nan 0.000 0.462 443 T N 0.612 115.133 114.554 -0.056 0.000 2.788 443 T HA 0.134 4.485 4.350 0.001 0.000 0.268 443 T C 0.698 175.374 174.700 -0.040 0.000 1.044 443 T CA 1.601 63.678 62.100 -0.039 0.000 1.139 443 T CB -0.177 68.671 68.868 -0.032 0.000 0.867 443 T HN 0.952 nan 8.240 nan 0.000 0.454 444 G N -0.769 107.999 108.800 -0.054 0.000 2.680 444 G HA2 0.610 4.571 3.960 0.001 0.000 0.290 444 G HA3 0.610 4.571 3.960 0.001 0.000 0.290 444 G C -0.374 174.493 174.900 -0.055 0.000 1.355 444 G CA -0.381 44.691 45.100 -0.048 0.000 0.903 444 G HN 0.341 nan 8.290 nan 0.000 0.474 445 G N -1.367 107.409 108.800 -0.042 0.000 2.537 445 G HA2 0.564 4.525 3.960 0.001 0.000 0.297 445 G HA3 0.564 4.525 3.960 0.001 0.000 0.297 445 G C -0.287 174.588 174.900 -0.042 0.000 1.310 445 G CA -0.843 44.234 45.100 -0.038 0.000 1.027 445 G HN 0.609 nan 8.290 nan 0.000 0.505 446 L N -0.282 120.920 121.223 -0.035 0.000 2.379 446 L HA 0.377 4.718 4.340 0.001 0.000 0.269 446 L C 0.258 177.120 176.870 -0.014 0.000 1.084 446 L CA -0.532 54.288 54.840 -0.033 0.000 0.802 446 L CB 1.655 43.690 42.059 -0.041 0.000 1.175 446 L HN 0.329 nan 8.230 nan 0.000 0.448 447 T N 2.260 116.818 114.554 0.006 0.000 2.749 447 T HA 0.345 4.696 4.350 0.001 0.000 0.287 447 T C -2.497 172.219 174.700 0.027 0.000 0.970 447 T CA -1.383 60.745 62.100 0.047 0.000 0.980 447 T CB 1.138 70.055 68.868 0.083 0.000 0.924 447 T HN 0.274 nan 8.240 nan 0.000 0.456 448 P HA 0.273 nan 4.420 nan 0.000 0.276 448 P C -0.772 176.258 177.300 -0.449 0.000 1.235 448 P CA -0.734 62.153 63.100 -0.356 0.000 0.772 448 P CB 0.497 31.804 31.700 -0.655 0.000 0.871 449 L N 5.842 126.785 121.223 -0.467 0.000 2.321 449 L HA 0.368 4.709 4.340 0.001 0.000 0.272 449 L C -0.988 175.621 176.870 -0.436 0.000 1.050 449 L CA -0.893 53.608 54.840 -0.565 0.000 0.893 449 L CB -0.806 40.906 42.059 -0.578 0.000 1.272 449 L HN 0.189 nan 8.230 nan 0.000 0.435 450 Y N 3.684 123.869 120.300 -0.193 0.000 2.597 450 Y HA 0.192 4.743 4.550 0.001 0.000 0.336 450 Y C 0.318 176.092 175.900 -0.210 0.000 1.216 450 Y CA 0.006 58.021 58.100 -0.142 0.000 1.463 450 Y CB 0.321 38.741 38.460 -0.067 0.000 1.303 450 Y HN 0.378 nan 8.280 nan 0.000 0.576 451 L N 2.852 124.029 121.223 -0.078 0.000 2.349 451 L HA 0.558 4.899 4.340 0.001 0.000 0.275 451 L C 0.347 177.071 176.870 -0.245 0.000 1.115 451 L CA 0.261 54.906 54.840 -0.325 0.000 0.820 451 L CB 0.633 42.330 42.059 -0.602 0.000 1.135 451 L HN 0.869 nan 8.230 nan 0.000 0.445 452 A N 2.316 124.959 122.820 -0.294 0.000 2.486 452 A HA 0.575 4.896 4.320 0.001 0.000 0.277 452 A C -0.998 176.244 177.584 -0.570 0.000 1.282 452 A CA -0.657 51.175 52.037 -0.342 0.000 0.784 452 A CB 0.362 19.282 19.000 -0.134 0.000 1.350 452 A HN 0.601 nan 8.150 nan 0.000 0.454 453 D N -1.053 119.171 120.400 -0.293 0.000 2.362 453 D HA 0.424 5.065 4.640 0.001 0.000 0.242 453 D C 1.108 177.345 176.300 -0.105 0.000 1.132 453 D CA 1.710 55.619 54.000 -0.150 0.000 0.907 453 D CB 0.479 41.283 40.800 0.006 0.000 1.195 453 D HN 1.352 nan 8.370 nan 0.000 0.429 454 G N 2.265 111.022 108.800 -0.073 0.000 2.221 454 G HA2 -0.338 3.623 3.960 0.001 0.000 0.265 454 G HA3 -0.338 3.623 3.960 0.001 0.000 0.265 454 G C 0.156 175.089 174.900 0.054 0.000 1.041 454 G CA 0.399 45.504 45.100 0.009 0.000 0.807 454 G HN 0.855 nan 8.290 nan 0.000 0.502 455 H N -2.451 116.543 119.070 -0.125 0.000 2.770 455 H HA -0.153 4.404 4.556 0.001 0.000 0.309 455 H C 1.259 176.564 175.328 -0.038 0.000 1.206 455 H CA 1.684 57.586 56.048 -0.244 0.000 1.147 455 H CB -1.407 28.143 29.762 -0.354 0.000 1.422 455 H HN 1.438 nan 8.280 nan 0.000 0.420 456 G N -0.120 108.745 108.800 0.110 0.000 2.597 456 G HA2 0.660 4.621 3.960 0.001 0.000 0.317 456 G HA3 0.660 4.621 3.960 0.001 0.000 0.317 456 G C -0.348 174.585 174.900 0.055 0.000 1.230 456 G CA -0.836 44.308 45.100 0.073 0.000 0.996 456 G HN 0.120 nan 8.290 nan 0.000 0.490 457 L N 0.352 121.566 121.223 -0.014 0.000 2.408 457 L HA 0.690 5.031 4.340 0.001 0.000 0.268 457 L C -0.159 176.632 176.870 -0.132 0.000 0.986 457 L CA -0.713 54.067 54.840 -0.101 0.000 0.820 457 L CB 2.347 44.321 42.059 -0.143 0.000 1.303 457 L HN 0.613 nan 8.230 nan 0.000 0.411 458 S N 0.828 116.436 115.700 -0.153 0.000 2.556 458 S HA 0.538 5.008 4.470 0.001 0.000 0.271 458 S C -0.222 174.311 174.600 -0.112 0.000 1.135 458 S CA -0.443 57.697 58.200 -0.099 0.000 0.858 458 S CB 1.131 64.336 63.200 0.009 0.000 1.114 458 S HN 0.424 nan 8.310 nan 0.000 0.468 459 F N 1.673 121.678 119.950 0.092 0.000 2.797 459 F HA 0.267 4.795 4.527 0.001 0.000 0.302 459 F C 1.392 177.320 175.800 0.212 0.000 1.130 459 F CA 0.284 58.354 58.000 0.116 0.000 1.387 459 F CB 0.380 39.410 39.000 0.049 0.000 1.107 459 F HN 0.391 nan 8.300 nan 0.000 0.577 460 T N 0.139 114.875 114.554 0.304 0.000 2.767 460 T HA 0.053 4.404 4.350 0.001 0.000 0.288 460 T C -0.290 174.463 174.700 0.088 0.000 0.963 460 T CA -0.401 61.819 62.100 0.200 0.000 1.019 460 T CB 0.362 69.295 68.868 0.109 0.000 0.923 460 T HN 0.112 nan 8.240 nan 0.000 0.468 461 H N 5.784 124.763 119.070 -0.151 0.000 3.046 461 H HA 0.114 4.671 4.556 0.001 0.000 0.303 461 H C -2.360 172.749 175.328 -0.366 0.000 1.002 461 H CA -1.227 54.447 56.048 -0.624 0.000 1.460 461 H CB 0.661 30.099 29.762 -0.540 0.000 1.493 461 H HN 0.257 nan 8.280 nan 0.000 0.559 462 P HA 0.175 nan 4.420 nan 0.000 0.291 462 P C 0.125 176.915 177.300 -0.851 0.000 1.340 462 P CA -0.369 62.374 63.100 -0.595 0.000 0.799 462 P CB 1.188 32.688 31.700 -0.333 0.000 0.917 463 A N 3.342 125.822 122.820 -0.567 0.000 2.067 463 A HA 0.234 4.555 4.320 0.001 0.000 0.219 463 A C 1.195 178.663 177.584 -0.194 0.000 1.158 463 A CA 0.972 52.811 52.037 -0.330 0.000 0.661 463 A CB -0.602 18.338 19.000 -0.099 0.000 0.801 463 A HN 0.579 nan 8.150 nan 0.000 0.452 464 A N 0.311 123.024 122.820 -0.178 0.000 2.316 464 A HA 0.485 4.806 4.320 0.001 0.000 0.284 464 A C -0.457 177.041 177.584 -0.143 0.000 1.115 464 A CA -0.607 51.356 52.037 -0.123 0.000 0.812 464 A CB 0.243 19.187 19.000 -0.093 0.000 1.064 464 A HN 0.334 nan 8.150 nan 0.000 0.489 465 D N 0.022 120.349 120.400 -0.121 0.000 2.357 465 D HA 0.506 5.147 4.640 0.001 0.000 0.242 465 D C 0.360 176.443 176.300 -0.361 0.000 1.153 465 D CA 1.288 55.187 54.000 -0.169 0.000 0.918 465 D CB 1.494 42.285 40.800 -0.015 0.000 1.181 465 D HN 0.836 nan 8.370 nan 0.000 0.435 466 G N -1.210 107.104 108.800 -0.809 0.000 2.519 466 G HA2 0.598 4.558 3.960 0.001 0.000 0.292 466 G HA3 0.598 4.558 3.960 0.001 0.000 0.292 466 G C -1.967 172.090 174.900 -1.404 0.000 1.507 466 G CA -0.233 44.281 45.100 -0.977 0.000 0.806 466 G HN 0.580 nan 8.290 nan 0.000 0.523 467 A N 0.801 123.221 122.820 -0.666 0.000 2.566 467 A HA 0.783 5.103 4.320 0.001 0.000 0.297 467 A C -1.892 175.709 177.584 0.029 0.000 1.059 467 A CA -0.710 51.157 52.037 -0.283 0.000 0.691 467 A CB 1.971 20.881 19.000 -0.150 0.000 1.282 467 A HN 0.511 nan 8.150 nan 0.000 0.401 468 D N 0.930 121.430 120.400 0.166 0.000 2.350 468 D HA 0.699 5.340 4.640 0.001 0.000 0.245 468 D C -0.521 175.910 176.300 0.219 0.000 1.036 468 D CA -0.000 54.102 54.000 0.171 0.000 0.848 468 D CB 2.158 43.032 40.800 0.124 0.000 1.307 468 D HN 0.355 nan 8.370 nan 0.000 0.469 469 S N 0.572 116.391 115.700 0.198 0.000 2.568 469 S HA 0.721 5.192 4.470 0.001 0.000 0.302 469 S C -1.027 173.738 174.600 0.275 0.000 1.082 469 S CA -0.812 57.501 58.200 0.189 0.000 1.009 469 S CB 1.327 64.588 63.200 0.100 0.000 1.069 469 S HN 0.470 nan 8.310 nan 0.000 0.500 470 Y N -1.639 118.741 120.300 0.134 0.000 2.513 470 Y HA 0.740 5.290 4.550 0.001 0.000 0.340 470 Y C -1.432 174.529 175.900 0.102 0.000 1.055 470 Y CA -1.333 56.834 58.100 0.112 0.000 1.020 470 Y CB 0.307 38.839 38.460 0.120 0.000 1.301 470 Y HN 0.293 nan 8.280 nan 0.000 0.453 471 V N 3.193 123.205 119.914 0.165 0.000 2.406 471 V HA 0.357 4.478 4.120 0.001 0.000 0.272 471 V C 0.013 176.191 176.094 0.141 0.000 1.043 471 V CA -0.281 62.067 62.300 0.080 0.000 0.915 471 V CB 1.227 33.095 31.823 0.075 0.000 0.988 471 V HN 0.837 nan 8.190 nan 0.000 0.466 472 S N 3.735 119.477 115.700 0.069 0.000 2.423 472 S HA 0.285 4.756 4.470 0.001 0.000 0.317 472 S C -0.590 174.057 174.600 0.078 0.000 1.065 472 S CA -0.670 57.594 58.200 0.106 0.000 1.111 472 S CB 0.322 63.548 63.200 0.043 0.000 0.968 472 S HN 0.843 nan 8.310 nan 0.000 0.474 473 D N 5.431 125.895 120.400 0.107 0.000 2.392 473 D HA 0.458 5.099 4.640 0.001 0.000 0.228 473 D C -1.840 174.514 176.300 0.090 0.000 1.074 473 D CA -2.297 51.770 54.000 0.112 0.000 0.838 473 D CB 1.800 42.698 40.800 0.162 0.000 1.067 473 D HN 0.214 nan 8.370 nan 0.000 0.511 474 P HA 0.012 nan 4.420 nan 0.000 0.228 474 P C 0.728 177.935 177.300 -0.154 0.000 1.151 474 P CA 0.554 63.640 63.100 -0.022 0.000 0.770 474 P CB 0.288 32.044 31.700 0.094 0.000 0.786 475 A N -1.320 121.436 122.820 -0.107 0.000 2.119 475 A HA -0.070 4.250 4.320 0.001 0.000 0.216 475 A C 0.378 177.667 177.584 -0.491 0.000 1.152 475 A CA 0.994 52.863 52.037 -0.280 0.000 0.708 475 A CB -0.955 17.923 19.000 -0.202 0.000 0.805 475 A HN 0.259 nan 8.150 nan 0.000 0.460 476 H N -0.413 118.643 119.070 -0.024 0.000 2.439 476 H HA 0.284 4.841 4.556 0.001 0.000 0.228 476 H C -2.826 172.547 175.328 0.076 0.000 1.423 476 H CA -1.679 54.403 56.048 0.057 0.000 1.386 476 H CB 0.528 30.333 29.762 0.071 0.000 1.641 476 H HN 0.264 nan 8.280 nan 0.000 0.508 477 P HA 0.014 nan 4.420 nan 0.000 0.274 477 P C 0.099 177.593 177.300 0.324 0.000 1.231 477 P CA -0.358 62.801 63.100 0.099 0.000 0.790 477 P CB 1.603 33.181 31.700 -0.204 0.000 0.951 478 V N 4.112 124.204 119.914 0.296 0.000 2.479 478 V HA 0.104 4.225 4.120 0.001 0.000 0.281 478 V C -1.931 174.434 176.094 0.451 0.000 1.031 478 V CA -1.341 61.148 62.300 0.314 0.000 1.038 478 V CB -0.091 31.873 31.823 0.235 0.000 0.981 478 V HN 0.547 nan 8.190 nan 0.000 0.478 479 P HA 0.071 nan 4.420 nan 0.000 0.268 479 P C 0.516 178.002 177.300 0.310 0.000 1.204 479 P CA -0.244 63.076 63.100 0.365 0.000 0.768 479 P CB 0.328 32.075 31.700 0.080 0.000 0.842 480 F N 4.758 124.737 119.950 0.048 0.000 2.293 480 F HA 0.091 4.618 4.527 0.001 0.000 0.300 480 F C 0.558 176.266 175.800 -0.154 0.000 1.086 480 F CA 0.351 58.252 58.000 -0.166 0.000 1.375 480 F CB -0.685 37.798 39.000 -0.862 0.000 1.045 480 F HN 0.153 nan 8.300 nan 0.000 0.516 481 I N -3.484 116.602 120.570 -0.808 0.000 3.004 481 I HA 0.458 4.629 4.170 0.001 0.000 0.305 481 I C -0.205 175.665 176.117 -0.411 0.000 1.312 481 I CA -1.421 59.493 61.300 -0.643 0.000 0.992 481 I CB 1.596 39.015 38.000 -0.967 0.000 1.282 481 I HN -0.282 nan 8.210 nan 0.000 0.449 482 S N 2.052 117.606 115.700 -0.243 0.000 2.571 482 S HA 0.090 4.561 4.470 0.001 0.000 0.298 482 S C 0.213 174.733 174.600 -0.134 0.000 1.280 482 S CA -0.142 57.965 58.200 -0.155 0.000 1.052 482 S CB -0.037 63.099 63.200 -0.106 0.000 0.799 482 S HN 0.459 nan 8.310 nan 0.000 0.501 483 R N 2.700 123.128 120.500 -0.121 0.000 2.490 483 R HA 0.365 4.706 4.340 0.001 0.000 0.278 483 R C -2.056 174.213 176.300 -0.052 0.000 1.069 483 R CA -1.337 54.706 56.100 -0.094 0.000 1.080 483 R CB 0.146 30.335 30.300 -0.186 0.000 1.030 483 R HN 0.449 nan 8.270 nan 0.000 0.491 484 P HA 0.285 nan 4.420 nan 0.000 0.287 484 P C -1.407 175.934 177.300 0.070 0.000 1.270 484 P CA -0.375 62.733 63.100 0.013 0.000 0.844 484 P CB 0.839 32.542 31.700 0.004 0.000 1.068 485 F N 0.905 120.797 119.950 -0.097 0.000 2.581 485 F HA 0.662 5.190 4.527 0.001 0.000 0.311 485 F C -1.692 174.007 175.800 -0.168 0.000 1.113 485 F CA -0.616 57.294 58.000 -0.149 0.000 0.935 485 F CB 1.866 40.721 39.000 -0.240 0.000 1.232 485 F HN 0.553 nan 8.300 nan 0.000 0.445 486 A N 4.787 126.892 122.820 -1.191 0.000 2.386 486 A HA 0.577 4.898 4.320 0.001 0.000 0.311 486 A C -0.458 176.270 177.584 -1.426 0.000 1.068 486 A CA -0.575 50.886 52.037 -0.959 0.000 0.743 486 A CB 0.515 19.271 19.000 -0.406 0.000 1.258 486 A HN 0.792 nan 8.150 nan 0.000 0.429 487 F N 1.506 120.975 119.950 -0.800 0.000 2.307 487 F HA -0.120 4.408 4.527 0.001 0.000 0.301 487 F C 2.515 178.085 175.800 -0.382 0.000 1.076 487 F CA 1.996 59.647 58.000 -0.581 0.000 1.383 487 F CB -0.211 38.545 39.000 -0.406 0.000 1.055 487 F HN 0.644 nan 8.300 nan 0.000 0.526 488 A N -0.754 121.975 122.820 -0.151 0.000 2.119 488 A HA -0.106 4.215 4.320 0.001 0.000 0.217 488 A C 1.268 178.815 177.584 -0.062 0.000 1.153 488 A CA 0.345 52.336 52.037 -0.077 0.000 0.692 488 A CB -0.646 18.319 19.000 -0.059 0.000 0.799 488 A HN 0.374 nan 8.150 nan 0.000 0.458 489 Q N 0.751 120.476 119.800 -0.126 0.000 2.664 489 Q HA 0.228 4.568 4.340 0.001 0.000 0.223 489 Q C 0.727 176.824 176.000 0.163 0.000 1.298 489 Q CA -0.279 55.519 55.803 -0.008 0.000 0.965 489 Q CB 0.301 29.012 28.738 -0.044 0.000 1.510 489 Q HN 0.505 nan 8.270 nan 0.000 0.567 490 S N 0.588 116.382 115.700 0.156 0.000 2.370 490 S HA -0.215 4.255 4.470 0.001 0.000 0.226 490 S C 2.036 176.786 174.600 0.250 0.000 1.033 490 S CA 1.679 60.027 58.200 0.247 0.000 1.011 490 S CB -0.084 63.211 63.200 0.159 0.000 0.852 490 S HN 0.774 nan 8.310 nan 0.000 0.457 491 S N 1.657 117.451 115.700 0.156 0.000 2.419 491 S HA -0.042 4.428 4.470 0.001 0.000 0.233 491 S C 1.705 176.388 174.600 0.138 0.000 1.016 491 S CA 0.700 58.968 58.200 0.113 0.000 0.974 491 S CB -0.255 62.985 63.200 0.066 0.000 0.786 491 S HN 0.444 nan 8.310 nan 0.000 0.492 492 R N -0.843 119.787 120.500 0.216 0.000 2.156 492 R HA 0.147 4.488 4.340 0.001 0.000 0.207 492 R C 2.112 178.584 176.300 0.285 0.000 1.040 492 R CA 0.633 56.863 56.100 0.217 0.000 1.013 492 R CB -0.309 30.148 30.300 0.262 0.000 0.931 492 R HN 0.679 nan 8.270 nan 0.000 0.465 493 W N 2.831 124.287 121.300 0.260 0.000 2.379 493 W HA -0.158 4.503 4.660 0.001 0.000 0.307 493 W C 1.109 177.803 176.519 0.292 0.000 1.200 493 W CA 1.251 58.770 57.345 0.290 0.000 1.297 493 W CB 0.006 29.684 29.460 0.363 0.000 1.140 493 W HN -0.062 nan 8.180 nan 0.000 0.507 494 K N 0.099 120.542 120.400 0.072 0.000 2.020 494 K HA -0.192 4.129 4.320 0.001 0.000 0.212 494 K C -0.953 175.573 176.600 -0.123 0.000 1.050 494 K CA 2.086 58.327 56.287 -0.077 0.000 0.929 494 K CB -1.574 30.954 32.500 0.047 0.000 0.714 494 K HN 0.166 nan 8.250 nan 0.000 0.443 495 P HA -0.043 nan 4.420 nan 0.000 0.259 495 P C 0.425 177.636 177.300 -0.148 0.000 1.530 495 P CA -0.133 62.891 63.100 -0.127 0.000 1.022 495 P CB -0.529 31.118 31.700 -0.089 0.000 1.514 496 W N 0.622 121.760 121.300 -0.270 0.000 2.342 496 W HA -0.146 4.515 4.660 0.001 0.000 0.297 496 W C 0.611 177.005 176.519 -0.208 0.000 1.213 496 W CA 0.371 57.550 57.345 -0.276 0.000 1.251 496 W CB -1.452 27.810 29.460 -0.330 0.000 1.136 496 W HN -0.141 nan 8.180 nan 0.000 0.526 497 L N 1.929 122.570 121.223 -0.971 0.000 2.456 497 L HA -0.160 4.181 4.340 0.001 0.000 0.224 497 L C 2.236 178.813 176.870 -0.487 0.000 1.148 497 L CA 1.198 55.505 54.840 -0.889 0.000 0.825 497 L CB -0.542 41.136 42.059 -0.636 0.000 0.937 497 L HN 0.035 nan 8.230 nan 0.000 0.450 498 V N -5.063 114.556 119.914 -0.491 0.000 3.483 498 V HA 0.177 4.298 4.120 0.001 0.000 0.301 498 V C 0.923 176.958 176.094 -0.100 0.000 1.389 498 V CA -0.431 61.595 62.300 -0.457 0.000 1.101 498 V CB -0.200 31.166 31.823 -0.762 0.000 0.971 498 V HN 0.129 nan 8.190 nan 0.000 0.434 499 Q N 1.899 121.664 119.800 -0.058 0.000 2.392 499 Q HA 0.203 4.544 4.340 0.001 0.000 0.262 499 Q C -0.217 175.753 176.000 -0.052 0.000 1.003 499 Q CA 0.242 56.058 55.803 0.021 0.000 0.888 499 Q CB 0.765 29.500 28.738 -0.004 0.000 1.260 499 Q HN 0.541 nan 8.270 nan 0.000 0.435 500 D N 1.500 121.711 120.400 -0.315 0.000 2.458 500 D HA -0.068 4.573 4.640 0.001 0.000 0.243 500 D C 0.163 176.298 176.300 -0.275 0.000 1.146 500 D CA 0.254 53.826 54.000 -0.713 0.000 0.877 500 D CB 0.727 40.936 40.800 -0.985 0.000 1.176 500 D HN 0.176 nan 8.370 nan 0.000 0.461 501 Q N 3.332 123.022 119.800 -0.183 0.000 2.222 501 Q HA 0.100 4.441 4.340 0.001 0.000 0.206 501 Q C 1.354 177.320 176.000 -0.058 0.000 0.877 501 Q CA -0.025 55.753 55.803 -0.042 0.000 0.958 501 Q CB 0.219 28.983 28.738 0.044 0.000 1.075 501 Q HN 0.508 nan 8.270 nan 0.000 0.483 502 R N 0.506 120.934 120.500 -0.120 0.000 2.148 502 R HA -0.099 4.242 4.340 0.001 0.000 0.227 502 R C 1.889 178.150 176.300 -0.065 0.000 1.103 502 R CA 0.810 56.854 56.100 -0.093 0.000 0.983 502 R CB 0.232 30.461 30.300 -0.119 0.000 0.874 502 R HN 0.348 nan 8.270 nan 0.000 0.451 503 E N 0.432 120.596 120.200 -0.060 0.000 2.047 503 E HA -0.170 4.181 4.350 0.001 0.000 0.191 503 E C 1.805 178.395 176.600 -0.015 0.000 0.987 503 E CA 1.180 57.556 56.400 -0.039 0.000 0.799 503 E CB 0.029 29.705 29.700 -0.039 0.000 0.752 503 E HN 0.334 nan 8.360 nan 0.000 0.449 504 A N 1.241 124.065 122.820 0.007 0.000 1.930 504 A HA -0.200 4.121 4.320 0.001 0.000 0.217 504 A C 2.018 179.595 177.584 -0.011 0.000 1.175 504 A CA 1.481 53.533 52.037 0.025 0.000 0.627 504 A CB -0.499 18.543 19.000 0.071 0.000 0.815 504 A HN 0.380 nan 8.150 nan 0.000 0.443 505 E N 0.547 120.732 120.200 -0.025 0.000 2.153 505 E HA -0.175 4.176 4.350 0.001 0.000 0.194 505 E C 1.942 178.505 176.600 -0.061 0.000 0.988 505 E CA 1.444 57.814 56.400 -0.049 0.000 0.811 505 E CB -0.089 29.581 29.700 -0.051 0.000 0.746 505 E HN 0.730 nan 8.360 nan 0.000 0.466 506 S N -0.138 115.533 115.700 -0.049 0.000 2.607 506 S HA 0.038 4.508 4.470 0.001 0.000 0.224 506 S C 0.738 175.315 174.600 -0.039 0.000 0.969 506 S CA -0.206 57.965 58.200 -0.048 0.000 0.927 506 S CB -0.076 63.099 63.200 -0.042 0.000 0.772 506 S HN 0.086 nan 8.310 nan 0.000 0.533 507 R N 1.934 122.415 120.500 -0.031 0.000 2.404 507 R HA 0.327 4.668 4.340 0.001 0.000 0.291 507 R C -1.816 174.473 176.300 -0.018 0.000 1.025 507 R CA -2.033 54.058 56.100 -0.015 0.000 0.991 507 R CB 0.456 30.759 30.300 0.006 0.000 1.053 507 R HN 0.142 nan 8.270 nan 0.000 0.479 508 P HA -0.090 nan 4.420 nan 0.000 0.233 508 P C -0.175 177.170 177.300 0.076 0.000 1.167 508 P CA 0.942 64.058 63.100 0.026 0.000 0.770 508 P CB 0.226 31.943 31.700 0.029 0.000 0.837 509 D N -0.498 119.946 120.400 0.072 0.000 2.395 509 D HA 0.108 4.749 4.640 0.001 0.000 0.226 509 D C -0.076 176.180 176.300 -0.074 0.000 1.146 509 D CA -0.654 53.434 54.000 0.148 0.000 0.830 509 D CB -0.281 40.624 40.800 0.176 0.000 0.958 509 D HN -0.036 nan 8.370 nan 0.000 0.501 510 V N 0.461 120.260 119.914 -0.191 0.000 2.668 510 V HA 0.268 4.388 4.120 0.001 0.000 0.304 510 V C -0.537 175.388 176.094 -0.282 0.000 1.071 510 V CA -1.150 60.955 62.300 -0.325 0.000 0.894 510 V CB 2.338 34.078 31.823 -0.139 0.000 1.008 510 V HN -0.002 nan 8.190 nan 0.000 0.425 511 V N 4.839 124.540 119.914 -0.354 0.000 2.439 511 V HA 0.650 4.771 4.120 0.001 0.000 0.282 511 V C 0.144 176.207 176.094 -0.052 0.000 1.039 511 V CA 0.342 62.573 62.300 -0.115 0.000 0.913 511 V CB 2.037 33.904 31.823 0.074 0.000 0.983 511 V HN 1.033 nan 8.190 nan 0.000 0.460 512 T N 6.918 121.394 114.554 -0.131 0.000 2.829 512 T HA 0.649 5.000 4.350 0.001 0.000 0.280 512 T C -1.388 173.190 174.700 -0.204 0.000 0.999 512 T CA -0.091 61.956 62.100 -0.087 0.000 0.983 512 T CB 1.098 69.910 68.868 -0.094 0.000 0.968 512 T HN 0.534 nan 8.240 nan 0.000 0.446 513 Y N 1.507 121.835 120.300 0.048 0.000 2.462 513 Y HA 0.565 5.115 4.550 0.001 0.000 0.346 513 Y C 0.334 176.226 175.900 -0.014 0.000 0.976 513 Y CA -1.059 57.056 58.100 0.025 0.000 1.044 513 Y CB 1.890 40.334 38.460 -0.026 0.000 1.230 513 Y HN 0.719 nan 8.280 nan 0.000 0.455 514 E N -0.510 119.758 120.200 0.114 0.000 2.392 514 E HA 0.553 4.903 4.350 0.001 0.000 0.279 514 E C -1.203 175.405 176.600 0.013 0.000 0.964 514 E CA -1.173 55.252 56.400 0.042 0.000 0.777 514 E CB 1.941 31.657 29.700 0.027 0.000 1.249 514 E HN 0.525 nan 8.360 nan 0.000 0.449 515 T N -0.670 113.873 114.554 -0.019 0.000 2.771 515 T HA 0.292 4.642 4.350 0.001 0.000 0.290 515 T C 0.361 175.067 174.700 0.011 0.000 1.005 515 T CA -0.792 61.296 62.100 -0.021 0.000 0.944 515 T CB 0.820 69.663 68.868 -0.042 0.000 1.147 515 T HN 0.471 nan 8.240 nan 0.000 0.534 516 E N -0.065 120.149 120.200 0.024 0.000 2.351 516 E HA 0.313 4.664 4.350 0.001 0.000 0.255 516 E C -0.195 176.433 176.600 0.047 0.000 1.188 516 E CA -0.638 55.782 56.400 0.032 0.000 0.940 516 E CB 0.932 30.652 29.700 0.034 0.000 1.094 516 E HN 0.441 nan 8.360 nan 0.000 0.474 517 V N 2.314 122.257 119.914 0.048 0.000 2.493 517 V HA -0.055 4.066 4.120 0.001 0.000 0.292 517 V C 0.610 176.750 176.094 0.077 0.000 1.016 517 V CA 0.239 62.578 62.300 0.064 0.000 1.097 517 V CB -0.465 31.388 31.823 0.050 0.000 0.947 517 V HN 0.369 nan 8.190 nan 0.000 0.479 518 L N 5.313 126.599 121.223 0.105 0.000 2.499 518 L HA 0.109 4.450 4.340 0.001 0.000 0.273 518 L C 1.126 178.053 176.870 0.094 0.000 1.195 518 L CA 0.152 55.058 54.840 0.110 0.000 0.882 518 L CB 0.147 42.293 42.059 0.145 0.000 1.133 518 L HN 0.629 nan 8.230 nan 0.000 0.483 519 D N 0.616 121.061 120.400 0.075 0.000 2.338 519 D HA 0.056 4.697 4.640 0.001 0.000 0.208 519 D C 0.280 176.612 176.300 0.053 0.000 0.997 519 D CA 0.810 54.845 54.000 0.058 0.000 0.880 519 D CB 0.674 41.502 40.800 0.046 0.000 0.980 519 D HN 0.466 nan 8.370 nan 0.000 0.509 520 E N 1.204 121.437 120.200 0.055 0.000 2.272 520 E HA 0.311 4.662 4.350 0.001 0.000 0.269 520 E C -2.458 174.174 176.600 0.054 0.000 0.877 520 E CA -1.976 54.449 56.400 0.041 0.000 0.755 520 E CB 2.599 32.311 29.700 0.021 0.000 1.192 520 E HN -0.041 nan 8.360 nan 0.000 0.422 521 P HA 0.105 nan 4.420 nan 0.000 0.269 521 P C -0.352 176.985 177.300 0.061 0.000 1.209 521 P CA -0.268 62.863 63.100 0.051 0.000 0.776 521 P CB 0.715 32.419 31.700 0.006 0.000 0.876 522 V N 4.601 124.596 119.914 0.135 0.000 2.378 522 V HA 0.318 4.439 4.120 0.001 0.000 0.288 522 V C 0.695 176.913 176.094 0.207 0.000 1.016 522 V CA -0.634 61.763 62.300 0.161 0.000 0.840 522 V CB 1.104 33.072 31.823 0.242 0.000 0.994 522 V HN 0.460 nan 8.190 nan 0.000 0.431 523 R N 3.454 124.011 120.500 0.096 0.000 2.312 523 R HA 0.725 5.066 4.340 0.001 0.000 0.311 523 R C -0.795 175.563 176.300 0.097 0.000 1.004 523 R CA -0.529 55.608 56.100 0.061 0.000 0.902 523 R CB 1.885 32.194 30.300 0.014 0.000 1.073 523 R HN 0.620 nan 8.270 nan 0.000 0.457 524 V N -1.120 118.856 119.914 0.102 0.000 2.588 524 V HA 0.651 4.772 4.120 0.001 0.000 0.304 524 V C -0.420 175.714 176.094 0.068 0.000 1.042 524 V CA -0.683 61.685 62.300 0.112 0.000 0.877 524 V CB 2.025 33.978 31.823 0.217 0.000 0.996 524 V HN 0.686 nan 8.190 nan 0.000 0.425 525 S N 2.495 118.219 115.700 0.041 0.000 2.673 525 S HA 0.871 5.342 4.470 0.001 0.000 0.256 525 S C -0.048 174.552 174.600 0.001 0.000 1.141 525 S CA 0.555 58.804 58.200 0.081 0.000 1.109 525 S CB 0.468 63.688 63.200 0.033 0.000 1.101 525 S HN 2.246 nan 8.310 nan 0.000 0.471 526 G N 1.820 110.666 108.800 0.077 0.000 2.356 526 G HA2 0.202 4.163 3.960 0.001 0.000 0.266 526 G HA3 0.202 4.163 3.960 0.001 0.000 0.266 526 G C -1.788 173.067 174.900 -0.075 0.000 1.312 526 G CA -0.243 44.737 45.100 -0.200 0.000 0.922 526 G HN 0.851 nan 8.290 nan 0.000 0.480 527 V N 2.618 122.431 119.914 -0.169 0.000 2.333 527 V HA 0.496 4.616 4.120 0.001 0.000 0.274 527 V C -2.019 174.030 176.094 -0.075 0.000 1.028 527 V CA -1.098 61.147 62.300 -0.092 0.000 0.851 527 V CB 1.260 33.010 31.823 -0.123 0.000 1.000 527 V HN 0.524 nan 8.190 nan 0.000 0.456 528 P HA 0.301 nan 4.420 nan 0.000 0.280 528 P C -0.795 176.446 177.300 -0.099 0.000 1.244 528 P CA -0.177 62.892 63.100 -0.053 0.000 0.784 528 P CB 1.033 32.725 31.700 -0.014 0.000 0.913 529 V N 2.611 122.426 119.914 -0.165 0.000 2.448 529 V HA 0.554 4.675 4.120 0.001 0.000 0.295 529 V C 0.324 176.169 176.094 -0.415 0.000 1.025 529 V CA -0.982 61.140 62.300 -0.297 0.000 0.859 529 V CB 1.382 33.014 31.823 -0.318 0.000 0.988 529 V HN 0.636 nan 8.190 nan 0.000 0.431 530 A N 2.974 125.413 122.820 -0.635 0.000 2.350 530 A HA 0.443 4.763 4.320 0.001 0.000 0.293 530 A C -0.024 177.165 177.584 -0.658 0.000 1.231 530 A CA -0.097 51.516 52.037 -0.707 0.000 0.883 530 A CB -0.130 18.175 19.000 -1.158 0.000 1.133 530 A HN 0.857 nan 8.150 nan 0.000 0.533 531 D N 2.822 123.009 120.400 -0.356 0.000 2.505 531 D HA 0.393 5.034 4.640 0.001 0.000 0.242 531 D C -0.793 175.436 176.300 -0.120 0.000 1.136 531 D CA -0.082 53.833 54.000 -0.142 0.000 0.954 531 D CB 0.155 40.976 40.800 0.036 0.000 1.002 531 D HN 0.374 nan 8.370 nan 0.000 0.512 532 L N 3.053 124.163 121.223 -0.189 0.000 2.289 532 L HA 0.542 4.882 4.340 0.001 0.000 0.285 532 L C -1.303 175.448 176.870 -0.197 0.000 1.049 532 L CA -0.296 54.459 54.840 -0.141 0.000 0.804 532 L CB 0.612 42.569 42.059 -0.170 0.000 1.195 532 L HN 0.133 nan 8.230 nan 0.000 0.428 533 F N 5.320 125.281 119.950 0.020 0.000 2.443 533 F HA 0.685 5.213 4.527 0.001 0.000 0.369 533 F C 0.312 176.087 175.800 -0.041 0.000 1.090 533 F CA -0.262 57.744 58.000 0.010 0.000 1.129 533 F CB 1.111 40.096 39.000 -0.026 0.000 1.367 533 F HN 0.613 nan 8.300 nan 0.000 0.465 534 A N 1.853 124.675 122.820 0.005 0.000 2.380 534 A HA 0.974 5.295 4.320 0.001 0.000 0.315 534 A C -1.084 176.506 177.584 0.009 0.000 1.101 534 A CA -0.622 51.285 52.037 -0.216 0.000 0.771 534 A CB 1.314 19.630 19.000 -1.141 0.000 1.287 534 A HN 0.690 nan 8.150 nan 0.000 0.436 535 A N 0.205 123.076 122.820 0.086 0.000 2.435 535 A HA 0.860 5.181 4.320 0.001 0.000 0.304 535 A C -0.346 177.417 177.584 0.298 0.000 1.064 535 A CA -0.225 51.931 52.037 0.198 0.000 0.727 535 A CB 1.653 20.731 19.000 0.129 0.000 1.284 535 A HN 1.405 nan 8.150 nan 0.000 0.415 536 T N -0.494 114.234 114.554 0.291 0.000 2.900 536 T HA 0.473 4.824 4.350 0.001 0.000 0.295 536 T C 1.121 175.897 174.700 0.127 0.000 1.044 536 T CA 0.291 62.528 62.100 0.227 0.000 0.995 536 T CB 1.357 70.381 68.868 0.259 0.000 1.072 536 T HN 1.385 nan 8.240 nan 0.000 0.473 537 S N 2.148 117.894 115.700 0.076 0.000 2.489 537 S HA 0.266 4.737 4.470 0.001 0.000 0.228 537 S C 1.169 175.800 174.600 0.051 0.000 0.995 537 S CA 0.265 58.498 58.200 0.055 0.000 0.934 537 S CB -0.317 62.906 63.200 0.038 0.000 0.771 537 S HN 0.910 nan 8.310 nan 0.000 0.522 538 G N 0.936 109.768 108.800 0.052 0.000 2.525 538 G HA2 0.426 4.387 3.960 0.001 0.000 0.287 538 G HA3 0.426 4.387 3.960 0.001 0.000 0.287 538 G C 0.527 175.467 174.900 0.066 0.000 1.350 538 G CA 0.090 45.218 45.100 0.047 0.000 1.039 538 G HN 0.371 nan 8.290 nan 0.000 0.513 539 T N -2.786 111.810 114.554 0.070 0.000 3.092 539 T HA 0.308 4.659 4.350 0.001 0.000 0.258 539 T C -0.109 174.665 174.700 0.124 0.000 1.031 539 T CA -0.007 62.145 62.100 0.087 0.000 0.925 539 T CB 0.281 69.204 68.868 0.091 0.000 1.036 539 T HN 0.403 nan 8.240 nan 0.000 0.544 540 D N -0.567 119.897 120.400 0.107 0.000 2.653 540 D HA 0.650 5.290 4.640 0.001 0.000 0.258 540 D C -1.547 174.759 176.300 0.009 0.000 1.252 540 D CA -0.217 53.846 54.000 0.105 0.000 0.777 540 D CB 2.174 43.040 40.800 0.110 0.000 1.339 540 D HN 0.025 nan 8.370 nan 0.000 0.422 541 S N 0.122 115.784 115.700 -0.063 0.000 2.622 541 S HA 0.373 4.844 4.470 0.001 0.000 0.275 541 S C -2.160 172.151 174.600 -0.481 0.000 1.112 541 S CA -0.716 57.283 58.200 -0.335 0.000 0.837 541 S CB 1.360 64.228 63.200 -0.553 0.000 1.082 541 S HN 0.395 nan 8.310 nan 0.000 0.456 542 D N 0.581 120.601 120.400 -0.633 0.000 2.248 542 D HA 0.590 5.231 4.640 0.001 0.000 0.246 542 D C -1.443 174.429 176.300 -0.712 0.000 1.027 542 D CA 0.009 53.730 54.000 -0.466 0.000 0.853 542 D CB 0.920 41.591 40.800 -0.216 0.000 1.243 542 D HN 0.411 nan 8.370 nan 0.000 0.462 543 W N 1.879 123.138 121.300 -0.068 0.000 2.424 543 W HA 0.474 5.135 4.660 0.001 0.000 0.318 543 W C -0.869 175.610 176.519 -0.067 0.000 1.016 543 W CA -0.920 56.380 57.345 -0.075 0.000 1.268 543 W CB 1.240 30.593 29.460 -0.178 0.000 1.297 543 W HN -0.045 nan 8.180 nan 0.000 0.428 544 V N 4.658 124.612 119.914 0.067 0.000 2.370 544 V HA 0.479 4.600 4.120 0.001 0.000 0.279 544 V C -0.185 175.890 176.094 -0.032 0.000 1.029 544 V CA -0.923 61.265 62.300 -0.187 0.000 0.870 544 V CB 1.157 32.589 31.823 -0.651 0.000 0.984 544 V HN 0.274 nan 8.190 nan 0.000 0.451 545 V N 5.742 125.696 119.914 0.066 0.000 2.487 545 V HA 0.512 4.632 4.120 0.001 0.000 0.298 545 V C -0.239 175.910 176.094 0.091 0.000 1.028 545 V CA -0.909 61.450 62.300 0.098 0.000 0.860 545 V CB 1.897 33.800 31.823 0.134 0.000 0.991 545 V HN 0.876 nan 8.190 nan 0.000 0.427 546 K N 4.579 125.027 120.400 0.079 0.000 2.376 546 K HA 0.650 4.971 4.320 0.001 0.000 0.257 546 K C -1.266 175.403 176.600 0.114 0.000 0.939 546 K CA -0.853 55.512 56.287 0.131 0.000 0.809 546 K CB 2.684 35.276 32.500 0.153 0.000 1.121 546 K HN 0.453 nan 8.250 nan 0.000 0.425 547 L N 4.777 126.079 121.223 0.132 0.000 2.262 547 L HA 0.466 4.807 4.340 0.001 0.000 0.288 547 L C -1.225 175.751 176.870 0.177 0.000 1.035 547 L CA -0.211 54.705 54.840 0.127 0.000 0.820 547 L CB 0.404 42.540 42.059 0.128 0.000 1.204 547 L HN 0.574 nan 8.230 nan 0.000 0.424 548 I N 3.821 124.497 120.570 0.177 0.000 2.603 548 I HA 0.352 4.523 4.170 0.001 0.000 0.300 548 I C -0.818 175.492 176.117 0.321 0.000 1.017 548 I CA -0.607 60.822 61.300 0.214 0.000 1.098 548 I CB 1.993 40.087 38.000 0.157 0.000 1.279 548 I HN 0.516 nan 8.210 nan 0.000 0.437 549 D N 5.480 126.102 120.400 0.371 0.000 2.454 549 D HA 0.281 4.922 4.640 0.001 0.000 0.225 549 D C -0.883 175.653 176.300 0.393 0.000 1.081 549 D CA -0.306 54.015 54.000 0.535 0.000 0.864 549 D CB 1.148 42.178 40.800 0.382 0.000 1.040 549 D HN 0.080 nan 8.370 nan 0.000 0.517 550 V N 5.019 125.129 119.914 0.327 0.000 2.455 550 V HA 0.117 4.238 4.120 0.001 0.000 0.273 550 V C 0.803 176.997 176.094 0.167 0.000 1.045 550 V CA -0.578 61.848 62.300 0.210 0.000 0.976 550 V CB 0.896 32.796 31.823 0.128 0.000 0.993 550 V HN 0.515 nan 8.190 nan 0.000 0.475 551 Q N 5.423 125.274 119.800 0.085 0.000 2.492 551 Q HA 0.262 4.603 4.340 0.001 0.000 0.238 551 Q C -2.204 173.640 176.000 -0.261 0.000 1.045 551 Q CA -1.912 53.779 55.803 -0.188 0.000 0.934 551 Q CB -0.126 28.597 28.738 -0.025 0.000 1.276 551 Q HN 0.439 nan 8.270 nan 0.000 0.521 552 P HA -0.070 nan 4.420 nan 0.000 0.266 552 P C 0.001 177.252 177.300 -0.082 0.000 1.193 552 P CA 0.489 63.472 63.100 -0.195 0.000 0.770 552 P CB 0.410 32.018 31.700 -0.154 0.000 0.836 553 A N 3.126 125.922 122.820 -0.041 0.000 1.986 553 A HA -0.135 4.185 4.320 0.001 0.000 0.220 553 A C 0.901 178.477 177.584 -0.014 0.000 1.171 553 A CA 1.800 53.827 52.037 -0.018 0.000 0.640 553 A CB -0.585 18.410 19.000 -0.009 0.000 0.811 553 A HN 0.481 nan 8.150 nan 0.000 0.451 554 M N -0.414 119.174 119.600 -0.019 0.000 2.324 554 M HA 0.295 4.776 4.480 0.001 0.000 0.288 554 M C -1.123 175.166 176.300 -0.019 0.000 1.097 554 M CA -0.105 55.187 55.300 -0.013 0.000 0.928 554 M CB 1.906 34.502 32.600 -0.007 0.000 1.648 554 M HN 0.222 nan 8.290 nan 0.000 0.460 555 T N -0.630 113.914 114.554 -0.016 0.000 3.150 555 T HA 0.422 4.773 4.350 0.001 0.000 0.383 555 T C -2.022 172.671 174.700 -0.013 0.000 1.313 555 T CA -1.360 60.729 62.100 -0.018 0.000 1.235 555 T CB 0.718 69.570 68.868 -0.026 0.000 1.088 555 T HN 0.379 nan 8.240 nan 0.000 0.556 556 P HA -0.080 nan 4.420 nan 0.000 0.219 556 P C 0.513 177.808 177.300 -0.009 0.000 1.146 556 P CA 1.028 64.124 63.100 -0.007 0.000 0.808 556 P CB 0.278 31.976 31.700 -0.003 0.000 0.779 557 D N -0.789 119.605 120.400 -0.010 0.000 2.277 557 D HA -0.034 4.607 4.640 0.001 0.000 0.208 557 D C 0.384 176.672 176.300 -0.021 0.000 0.962 557 D CA 1.179 55.172 54.000 -0.013 0.000 0.865 557 D CB -0.189 40.605 40.800 -0.010 0.000 0.939 557 D HN 0.179 nan 8.370 nan 0.000 0.510 558 D N -1.231 119.154 120.400 -0.026 0.000 2.586 558 D HA 0.160 4.801 4.640 0.001 0.000 0.254 558 D C -2.044 174.238 176.300 -0.030 0.000 1.248 558 D CA -1.847 52.131 54.000 -0.036 0.000 0.843 558 D CB 1.349 42.115 40.800 -0.056 0.000 1.332 558 D HN -0.237 nan 8.370 nan 0.000 0.523 559 P HA -0.222 nan 4.420 nan 0.000 0.216 559 P C 1.276 178.575 177.300 -0.001 0.000 1.154 559 P CA 1.520 64.614 63.100 -0.010 0.000 0.865 559 P CB 0.090 31.785 31.700 -0.008 0.000 0.789 560 K N -1.264 119.135 120.400 -0.002 0.000 2.442 560 K HA -0.066 4.254 4.320 0.001 0.000 0.198 560 K C 1.360 177.993 176.600 0.056 0.000 1.044 560 K CA 1.210 57.510 56.287 0.022 0.000 0.948 560 K CB -0.545 31.963 32.500 0.014 0.000 0.762 560 K HN 0.085 nan 8.250 nan 0.000 0.472 561 M N 1.506 121.110 119.600 0.007 0.000 2.556 561 M HA 0.116 4.597 4.480 0.001 0.000 0.245 561 M C 0.678 177.014 176.300 0.060 0.000 1.128 561 M CA 0.115 55.414 55.300 -0.001 0.000 1.069 561 M CB -0.234 32.298 32.600 -0.113 0.000 1.469 561 M HN 0.199 nan 8.290 nan 0.000 0.494 562 G N 0.237 109.062 108.800 0.041 0.000 2.298 562 G HA2 0.332 4.293 3.960 0.001 0.000 0.263 562 G HA3 0.332 4.293 3.960 0.001 0.000 0.263 562 G C 1.105 176.033 174.900 0.047 0.000 1.229 562 G CA 0.397 45.512 45.100 0.026 0.000 0.976 562 G HN 0.692 nan 8.290 nan 0.000 0.459 563 G N 1.638 110.459 108.800 0.035 0.000 2.168 563 G HA2 -0.323 3.638 3.960 0.001 0.000 0.263 563 G HA3 -0.323 3.638 3.960 0.001 0.000 0.263 563 G C 0.461 175.407 174.900 0.076 0.000 0.977 563 G CA 0.625 45.748 45.100 0.037 0.000 0.659 563 G HN 1.099 nan 8.290 nan 0.000 0.533 564 Y N 1.702 121.992 120.300 -0.018 0.000 2.717 564 Y HA 0.346 4.897 4.550 0.001 0.000 0.330 564 Y C 0.870 176.782 175.900 0.019 0.000 1.217 564 Y CA 0.579 58.676 58.100 -0.006 0.000 1.506 564 Y CB 0.487 38.938 38.460 -0.015 0.000 1.268 564 Y HN 0.329 nan 8.280 nan 0.000 0.561 565 E N 6.744 126.884 120.200 -0.100 0.000 2.026 565 E HA 0.138 4.489 4.350 0.001 0.000 0.253 565 E C -1.186 175.470 176.600 0.093 0.000 1.056 565 E CA -0.555 55.857 56.400 0.020 0.000 0.927 565 E CB 0.210 29.888 29.700 -0.037 0.000 1.172 565 E HN 0.426 nan 8.360 nan 0.000 0.445 566 L N 4.582 126.002 121.223 0.329 0.000 2.369 566 L HA 0.267 4.608 4.340 0.001 0.000 0.279 566 L C -2.494 174.509 176.870 0.221 0.000 1.108 566 L CA -1.823 53.216 54.840 0.331 0.000 0.852 566 L CB 0.307 42.551 42.059 0.308 0.000 1.169 566 L HN 0.126 nan 8.230 nan 0.000 0.452 567 P HA 0.115 nan 4.420 nan 0.000 0.287 567 P C 0.456 177.926 177.300 0.283 0.000 1.281 567 P CA -0.328 62.895 63.100 0.206 0.000 0.781 567 P CB 1.321 33.133 31.700 0.187 0.000 0.903 568 V N 0.482 120.514 119.914 0.195 0.000 3.471 568 V HA 0.255 4.376 4.120 0.001 0.000 0.258 568 V C 0.602 176.720 176.094 0.039 0.000 1.192 568 V CA 0.564 62.924 62.300 0.101 0.000 1.116 568 V CB -0.258 31.455 31.823 -0.184 0.000 0.792 568 V HN 0.631 nan 8.190 nan 0.000 0.459 569 S N 1.105 116.875 115.700 0.117 0.000 2.570 569 S HA 0.734 5.205 4.470 0.001 0.000 0.286 569 S C -1.083 173.633 174.600 0.193 0.000 1.143 569 S CA -0.603 57.665 58.200 0.114 0.000 0.921 569 S CB 1.358 64.599 63.200 0.068 0.000 1.108 569 S HN 0.708 nan 8.310 nan 0.000 0.456 570 M N 2.485 122.246 119.600 0.269 0.000 2.414 570 M HA 0.738 5.218 4.480 0.001 0.000 0.287 570 M C -1.962 174.669 176.300 0.552 0.000 1.181 570 M CA -0.661 54.871 55.300 0.387 0.000 0.933 570 M CB 2.023 34.909 32.600 0.476 0.000 1.732 570 M HN 0.523 nan 8.290 nan 0.000 0.486 571 D N 0.961 121.688 120.400 0.546 0.000 2.643 571 D HA 0.706 5.347 4.640 0.001 0.000 0.283 571 D C -1.962 174.602 176.300 0.439 0.000 1.242 571 D CA -0.366 54.026 54.000 0.654 0.000 0.863 571 D CB 3.110 44.310 40.800 0.668 0.000 1.382 571 D HN 0.844 nan 8.370 nan 0.000 0.444 572 I N 1.089 121.886 120.570 0.379 0.000 2.569 572 I HA 0.600 4.771 4.170 0.001 0.000 0.296 572 I C -1.576 174.567 176.117 0.042 0.000 1.028 572 I CA -0.923 60.419 61.300 0.069 0.000 1.082 572 I CB 1.497 39.390 38.000 -0.178 0.000 1.264 572 I HN 0.281 nan 8.210 nan 0.000 0.429 573 F N 6.870 126.642 119.950 -0.296 0.000 2.507 573 F HA 0.513 5.041 4.527 0.001 0.000 0.328 573 F C -0.353 175.389 175.800 -0.097 0.000 1.136 573 F CA -0.732 57.036 58.000 -0.386 0.000 0.930 573 F CB 1.191 39.505 39.000 -1.144 0.000 1.166 573 F HN 0.392 nan 8.300 nan 0.000 0.436 574 R N 3.871 124.179 120.500 -0.319 0.000 2.248 574 R HA 0.287 4.627 4.340 0.001 0.000 0.337 574 R C 1.405 177.728 176.300 0.037 0.000 1.085 574 R CA 0.639 56.695 56.100 -0.073 0.000 0.934 574 R CB 0.668 31.017 30.300 0.081 0.000 1.034 574 R HN 0.993 nan 8.270 nan 0.000 0.465 575 G N 4.912 113.870 108.800 0.264 0.000 2.545 575 G HA2 -0.385 3.576 3.960 0.001 0.000 0.222 575 G HA3 -0.385 3.576 3.960 0.001 0.000 0.222 575 G C 1.263 176.385 174.900 0.370 0.000 1.126 575 G CA 1.082 46.523 45.100 0.569 0.000 0.754 575 G HN 0.783 nan 8.290 nan 0.000 0.583 576 R N -0.667 119.878 120.500 0.076 0.000 2.200 576 R HA -0.096 4.245 4.340 0.001 0.000 0.234 576 R C 0.979 177.180 176.300 -0.164 0.000 1.127 576 R CA 1.266 57.321 56.100 -0.076 0.000 0.989 576 R CB -0.550 29.654 30.300 -0.160 0.000 0.869 576 R HN 0.451 nan 8.270 nan 0.000 0.459 577 Y N 0.734 121.143 120.300 0.180 0.000 2.625 577 Y HA 0.323 4.874 4.550 0.001 0.000 0.285 577 Y C 2.048 178.011 175.900 0.105 0.000 1.168 577 Y CA -0.874 57.297 58.100 0.118 0.000 1.250 577 Y CB -0.095 38.488 38.460 0.204 0.000 1.130 577 Y HN 0.006 nan 8.280 nan 0.000 0.526 578 R N 0.907 121.618 120.500 0.352 0.000 2.080 578 R HA -0.184 4.156 4.340 0.001 0.000 0.236 578 R C 1.653 177.948 176.300 -0.008 0.000 1.137 578 R CA 1.927 58.180 56.100 0.255 0.000 0.943 578 R CB 0.165 30.492 30.300 0.044 0.000 0.846 578 R HN 0.267 nan 8.270 nan 0.000 0.431 579 K N -0.841 119.541 120.400 -0.030 0.000 2.021 579 K HA -0.032 4.289 4.320 0.001 0.000 0.205 579 K C 0.136 176.697 176.600 -0.066 0.000 1.047 579 K CA 0.964 57.213 56.287 -0.063 0.000 0.943 579 K CB 0.169 32.641 32.500 -0.046 0.000 0.725 579 K HN 0.075 nan 8.250 nan 0.000 0.439 580 D N -1.743 118.645 120.400 -0.021 0.000 2.879 580 D HA 0.130 4.771 4.640 0.001 0.000 0.236 580 D C -0.200 176.175 176.300 0.125 0.000 1.171 580 D CA -0.524 53.487 54.000 0.019 0.000 0.868 580 D CB 1.102 41.948 40.800 0.078 0.000 1.598 580 D HN -0.192 nan 8.370 nan 0.000 0.497 581 F N 1.675 121.767 119.950 0.238 0.000 2.367 581 F HA 0.116 4.644 4.527 0.001 0.000 0.298 581 F C 2.277 178.100 175.800 0.038 0.000 1.094 581 F CA 0.852 58.943 58.000 0.151 0.000 1.409 581 F CB -0.175 38.821 39.000 -0.006 0.000 1.064 581 F HN 0.496 nan 8.300 nan 0.000 0.528 582 A N -1.057 121.917 122.820 0.256 0.000 2.030 582 A HA 0.062 4.383 4.320 0.001 0.000 0.215 582 A C 1.037 178.730 177.584 0.182 0.000 1.164 582 A CA 0.461 52.581 52.037 0.138 0.000 0.697 582 A CB -0.040 19.012 19.000 0.086 0.000 0.827 582 A HN 0.019 nan 8.150 nan 0.000 0.457 583 K N 1.636 122.161 120.400 0.209 0.000 2.540 583 K HA 0.294 4.615 4.320 0.001 0.000 0.218 583 K C -3.050 173.669 176.600 0.198 0.000 1.017 583 K CA -1.872 54.521 56.287 0.177 0.000 1.029 583 K CB 1.524 34.088 32.500 0.106 0.000 1.348 583 K HN 0.204 nan 8.250 nan 0.000 0.508 584 P HA 0.074 nan 4.420 nan 0.000 0.268 584 P C -0.581 176.785 177.300 0.110 0.000 1.205 584 P CA 0.222 63.413 63.100 0.152 0.000 0.771 584 P CB 1.064 32.850 31.700 0.143 0.000 0.858 585 E N 0.568 120.720 120.200 -0.079 0.000 2.367 585 E HA 0.572 4.922 4.350 0.001 0.000 0.273 585 E C -0.838 175.327 176.600 -0.725 0.000 0.903 585 E CA -1.150 55.008 56.400 -0.403 0.000 0.764 585 E CB 2.345 31.921 29.700 -0.207 0.000 1.252 585 E HN 0.477 nan 8.360 nan 0.000 0.446 586 A N 2.768 124.906 122.820 -1.135 0.000 2.386 586 A HA 0.383 4.704 4.320 0.001 0.000 0.248 586 A C -0.341 177.074 177.584 -0.282 0.000 1.082 586 A CA -0.114 51.435 52.037 -0.813 0.000 0.789 586 A CB 0.183 18.779 19.000 -0.674 0.000 1.025 586 A HN 0.524 nan 8.150 nan 0.000 0.490 587 L N 1.086 122.253 121.223 -0.093 0.000 2.379 587 L HA 0.315 4.656 4.340 0.001 0.000 0.269 587 L C 0.597 177.471 176.870 0.007 0.000 1.084 587 L CA -0.385 54.461 54.840 0.009 0.000 0.802 587 L CB 1.001 43.141 42.059 0.134 0.000 1.175 587 L HN 0.779 nan 8.230 nan 0.000 0.448 588 Q N 2.642 122.452 119.800 0.015 0.000 2.295 588 Q HA 0.221 4.562 4.340 0.001 0.000 0.259 588 Q C -2.243 173.785 176.000 0.046 0.000 0.976 588 Q CA -1.658 54.153 55.803 0.014 0.000 0.923 588 Q CB 1.070 29.810 28.738 0.004 0.000 1.185 588 Q HN 0.260 nan 8.270 nan 0.000 0.410 589 P HA -0.075 nan 4.420 nan 0.000 0.267 589 P C -0.845 176.485 177.300 0.052 0.000 1.205 589 P CA 0.374 63.506 63.100 0.053 0.000 0.765 589 P CB 0.560 32.283 31.700 0.039 0.000 0.828 590 D N -0.741 119.700 120.400 0.068 0.000 3.046 590 D HA -0.190 4.451 4.640 0.001 0.000 0.210 590 D C 0.085 176.418 176.300 0.055 0.000 1.124 590 D CA 1.382 55.418 54.000 0.061 0.000 0.986 590 D CB -1.320 39.505 40.800 0.043 0.000 1.118 590 D HN 0.529 nan 8.370 nan 0.000 0.416 591 A N 0.663 123.518 122.820 0.059 0.000 2.290 591 A HA 0.518 4.838 4.320 0.001 0.000 0.310 591 A C 0.540 178.160 177.584 0.060 0.000 1.202 591 A CA -0.078 51.983 52.037 0.040 0.000 0.837 591 A CB 0.810 19.824 19.000 0.024 0.000 1.139 591 A HN 0.001 nan 8.150 nan 0.000 0.509 592 T N 3.991 118.565 114.554 0.034 0.000 2.738 592 T HA 0.403 4.754 4.350 0.001 0.000 0.293 592 T C 0.002 174.742 174.700 0.068 0.000 0.913 592 T CA 0.502 62.635 62.100 0.055 0.000 1.103 592 T CB -0.642 68.215 68.868 -0.018 0.000 0.880 592 T HN 0.412 nan 8.240 nan 0.000 0.526 593 L N 2.704 123.968 121.223 0.067 0.000 2.331 593 L HA 0.428 4.769 4.340 0.001 0.000 0.275 593 L C 0.639 177.399 176.870 -0.184 0.000 1.022 593 L CA -1.043 53.750 54.840 -0.078 0.000 0.812 593 L CB 1.245 43.179 42.059 -0.208 0.000 1.257 593 L HN 0.634 nan 8.230 nan 0.000 0.435 594 H N 1.750 120.566 119.070 -0.424 0.000 2.723 594 H HA 0.292 4.848 4.556 0.001 0.000 0.294 594 H C -1.478 173.443 175.328 -0.677 0.000 1.079 594 H CA -0.553 55.118 56.048 -0.629 0.000 1.411 594 H CB 0.494 29.967 29.762 -0.483 0.000 1.439 594 H HN 0.414 nan 8.280 nan 0.000 0.474 595 Y N 3.424 123.496 120.300 -0.381 0.000 2.335 595 Y HA 0.172 4.723 4.550 0.001 0.000 0.338 595 Y C -0.329 175.310 175.900 -0.435 0.000 0.977 595 Y CA -0.750 57.095 58.100 -0.425 0.000 1.114 595 Y CB 1.271 39.522 38.460 -0.348 0.000 1.182 595 Y HN 0.683 nan 8.280 nan 0.000 0.463 596 H N 4.827 123.646 119.070 -0.418 0.000 2.970 596 H HA 0.511 5.067 4.556 0.001 0.000 0.315 596 H C -1.667 173.569 175.328 -0.153 0.000 0.992 596 H CA -1.056 54.777 56.048 -0.358 0.000 1.363 596 H CB 0.360 29.864 29.762 -0.430 0.000 1.532 596 H HN 0.484 nan 8.280 nan 0.000 0.514 597 F N 1.246 120.932 119.950 -0.440 0.000 2.601 597 F HA 0.511 5.039 4.527 0.001 0.000 0.309 597 F C -0.598 175.142 175.800 -0.101 0.000 1.089 597 F CA -1.201 56.642 58.000 -0.262 0.000 0.940 597 F CB 0.772 39.449 39.000 -0.538 0.000 1.273 597 F HN 0.338 nan 8.300 nan 0.000 0.450 598 T N 1.458 116.179 114.554 0.279 0.000 2.907 598 T HA 0.666 5.017 4.350 0.001 0.000 0.298 598 T C -0.320 174.606 174.700 0.377 0.000 1.017 598 T CA -0.515 61.715 62.100 0.216 0.000 1.118 598 T CB 0.921 69.936 68.868 0.246 0.000 0.948 598 T HN 0.722 nan 8.240 nan 0.000 0.531 599 L N 2.556 123.892 121.223 0.188 0.000 2.331 599 L HA 0.543 4.883 4.340 0.001 0.000 0.268 599 L C -2.226 174.748 176.870 0.174 0.000 1.015 599 L CA -3.150 51.834 54.840 0.241 0.000 0.807 599 L CB 1.219 43.356 42.059 0.131 0.000 1.293 599 L HN 0.423 nan 8.230 nan 0.000 0.451 600 P HA 0.015 nan 4.420 nan 0.000 0.265 600 P C -0.684 176.629 177.300 0.021 0.000 1.193 600 P CA -0.132 63.022 63.100 0.090 0.000 0.765 600 P CB 0.456 32.208 31.700 0.086 0.000 0.823 601 A N 3.056 125.873 122.820 -0.006 0.000 2.547 601 A HA 0.383 4.703 4.320 0.001 0.000 0.233 601 A C 0.296 177.851 177.584 -0.049 0.000 1.067 601 A CA 0.260 52.305 52.037 0.013 0.000 0.763 601 A CB -0.366 18.690 19.000 0.093 0.000 1.007 601 A HN 0.485 nan 8.150 nan 0.000 0.506 602 V N -0.994 118.924 119.914 0.006 0.000 3.007 602 V HA 0.840 4.961 4.120 0.001 0.000 0.311 602 V C -0.612 175.489 176.094 0.011 0.000 1.120 602 V CA -0.784 61.484 62.300 -0.053 0.000 0.980 602 V CB 2.218 34.029 31.823 -0.020 0.000 1.033 602 V HN 0.899 nan 8.190 nan 0.000 0.429 603 N N 0.693 119.358 118.700 -0.059 0.000 2.700 603 N HA 0.381 5.122 4.740 0.001 0.000 0.242 603 N C -1.193 174.281 175.510 -0.059 0.000 1.541 603 N CA -0.175 52.859 53.050 -0.025 0.000 0.764 603 N CB 0.329 38.768 38.487 -0.079 0.000 1.319 603 N HN 1.105 nan 8.380 nan 0.000 0.518 604 H N -0.728 118.231 119.070 -0.185 0.000 2.797 604 H HA 0.781 5.338 4.556 0.001 0.000 0.362 604 H C -1.204 173.955 175.328 -0.281 0.000 1.183 604 H CA -0.704 55.171 56.048 -0.289 0.000 1.197 604 H CB 1.666 31.164 29.762 -0.439 0.000 1.835 604 H HN -0.070 nan 8.280 nan 0.000 0.567 605 V N 3.453 122.823 119.914 -0.907 0.000 2.524 605 V HA 0.212 4.332 4.120 0.001 0.000 0.297 605 V C -1.010 174.672 176.094 -0.687 0.000 1.035 605 V CA -0.641 61.338 62.300 -0.535 0.000 0.867 605 V CB 0.958 32.563 31.823 -0.363 0.000 1.004 605 V HN 0.591 nan 8.190 nan 0.000 0.426 606 F N 4.036 123.896 119.950 -0.150 0.000 2.405 606 F HA 0.612 5.140 4.527 0.001 0.000 0.358 606 F C 1.119 176.816 175.800 -0.172 0.000 1.151 606 F CA -0.048 57.902 58.000 -0.083 0.000 1.161 606 F CB 0.643 39.711 39.000 0.112 0.000 1.245 606 F HN 0.605 nan 8.300 nan 0.000 0.545 607 A N 4.208 126.843 122.820 -0.308 0.000 2.325 607 A HA 0.238 4.559 4.320 0.001 0.000 0.260 607 A C 0.563 178.198 177.584 0.085 0.000 1.133 607 A CA -0.602 51.333 52.037 -0.170 0.000 0.801 607 A CB 0.303 19.149 19.000 -0.257 0.000 1.092 607 A HN 0.659 nan 8.150 nan 0.000 0.504 608 K N -0.765 119.705 120.400 0.116 0.000 2.401 608 K HA 0.357 4.678 4.320 0.001 0.000 0.278 608 K C 1.118 177.856 176.600 0.230 0.000 1.018 608 K CA 1.120 57.495 56.287 0.146 0.000 0.981 608 K CB 0.319 32.874 32.500 0.091 0.000 0.933 608 K HN 1.328 nan 8.250 nan 0.000 0.477 609 G N 1.777 110.686 108.800 0.182 0.000 2.217 609 G HA2 -0.234 3.727 3.960 0.001 0.000 0.246 609 G HA3 -0.234 3.727 3.960 0.001 0.000 0.246 609 G C 0.228 175.205 174.900 0.128 0.000 0.990 609 G CA -0.155 45.025 45.100 0.133 0.000 0.627 609 G HN 0.742 nan 8.290 nan 0.000 0.522 610 H N -0.001 119.136 119.070 0.111 0.000 2.437 610 H HA 0.695 5.251 4.556 0.001 0.000 0.338 610 H C 0.457 175.867 175.328 0.136 0.000 1.495 610 H CA -0.116 56.023 56.048 0.151 0.000 1.453 610 H CB 0.827 30.727 29.762 0.230 0.000 1.707 610 H HN 0.180 nan 8.280 nan 0.000 0.655 611 R N 0.390 121.064 120.500 0.289 0.000 2.626 611 R HA 0.376 4.717 4.340 0.001 0.000 0.274 611 R C -1.002 175.369 176.300 0.118 0.000 1.031 611 R CA -0.700 55.491 56.100 0.151 0.000 0.898 611 R CB 2.073 32.431 30.300 0.096 0.000 1.222 611 R HN 0.437 nan 8.270 nan 0.000 0.455 612 I N 3.314 123.840 120.570 -0.073 0.000 2.385 612 I HA 0.422 4.593 4.170 0.001 0.000 0.294 612 I C 0.092 176.147 176.117 -0.104 0.000 0.988 612 I CA -0.381 60.749 61.300 -0.284 0.000 1.265 612 I CB 1.622 39.236 38.000 -0.643 0.000 1.388 612 I HN 0.426 nan 8.210 nan 0.000 0.480 613 M N 6.536 126.122 119.600 -0.023 0.000 2.518 613 M HA 0.650 5.131 4.480 0.001 0.000 0.300 613 M C -2.042 174.284 176.300 0.043 0.000 1.175 613 M CA -0.622 54.694 55.300 0.027 0.000 0.890 613 M CB 2.486 35.125 32.600 0.065 0.000 1.710 613 M HN 0.314 nan 8.290 nan 0.000 0.453 614 V N 3.435 123.391 119.914 0.070 0.000 2.531 614 V HA 0.471 4.591 4.120 0.001 0.000 0.301 614 V C -0.972 175.204 176.094 0.138 0.000 1.034 614 V CA -0.538 61.809 62.300 0.078 0.000 0.865 614 V CB 1.936 33.770 31.823 0.020 0.000 0.995 614 V HN 0.875 nan 8.190 nan 0.000 0.424 615 Q N 3.717 123.578 119.800 0.102 0.000 2.340 615 Q HA 0.709 5.050 4.340 0.001 0.000 0.268 615 Q C -1.464 174.568 176.000 0.052 0.000 1.031 615 Q CA -0.501 55.350 55.803 0.080 0.000 0.804 615 Q CB 2.685 31.456 28.738 0.054 0.000 1.286 615 Q HN 0.677 nan 8.270 nan 0.000 0.448 616 I N 3.302 123.894 120.570 0.036 0.000 2.498 616 I HA 0.345 4.516 4.170 0.001 0.000 0.290 616 I C -0.472 175.554 176.117 -0.152 0.000 1.032 616 I CA -0.448 60.868 61.300 0.027 0.000 1.073 616 I CB 1.774 39.873 38.000 0.165 0.000 1.251 616 I HN 0.599 nan 8.210 nan 0.000 0.426 617 Q N 3.072 122.818 119.800 -0.091 0.000 2.626 617 Q HA 0.550 4.891 4.340 0.001 0.000 0.300 617 Q C -1.194 174.841 176.000 0.058 0.000 0.988 617 Q CA -0.889 54.835 55.803 -0.133 0.000 0.761 617 Q CB 1.974 30.619 28.738 -0.155 0.000 1.494 617 Q HN 0.409 nan 8.270 nan 0.000 0.439 618 S N 0.031 115.792 115.700 0.101 0.000 2.650 618 S HA 0.297 4.768 4.470 0.001 0.000 0.240 618 S C -0.738 173.843 174.600 -0.031 0.000 1.007 618 S CA -0.006 58.173 58.200 -0.035 0.000 0.984 618 S CB 0.385 63.512 63.200 -0.121 0.000 0.910 618 S HN 0.564 nan 8.310 nan 0.000 0.509 619 S N 0.150 115.868 115.700 0.031 0.000 2.556 619 S HA 0.665 5.136 4.470 0.001 0.000 0.271 619 S C -1.892 172.881 174.600 0.289 0.000 1.135 619 S CA -0.712 57.578 58.200 0.150 0.000 0.858 619 S CB 1.419 64.716 63.200 0.162 0.000 1.114 619 S HN 0.307 nan 8.310 nan 0.000 0.468 620 W N 1.919 123.362 121.300 0.239 0.000 1.409 620 W HA 0.462 5.123 4.660 0.002 0.000 0.317 620 W C -1.800 174.885 176.519 0.276 0.000 0.947 620 W CA -1.722 55.792 57.345 0.283 0.000 1.333 620 W CB 0.406 30.040 29.460 0.290 0.000 1.459 620 W HN 0.637 nan 8.180 nan 0.000 0.409 621 F N 4.355 124.498 119.950 0.321 0.000 2.375 621 F HA 0.491 5.019 4.527 0.002 0.000 0.333 621 F C -1.107 174.862 175.800 0.282 0.000 1.104 621 F CA -2.276 55.818 58.000 0.155 0.000 1.149 621 F CB 1.248 40.289 39.000 0.068 0.000 1.190 621 F HN -0.085 nan 8.300 nan 0.000 0.533 622 P HA 0.029 nan 4.420 nan 0.000 0.263 622 P C 1.223 177.980 177.300 -0.905 0.000 1.448 622 P CA 0.225 62.574 63.100 -1.251 0.000 0.983 622 P CB 0.266 31.270 31.700 -1.160 0.000 1.481 623 L N -0.168 120.502 121.223 -0.921 0.000 2.017 623 L HA 0.011 4.352 4.340 0.001 0.000 0.208 623 L C 0.279 176.545 176.870 -1.006 0.000 1.073 623 L CA 1.764 55.907 54.840 -1.161 0.000 0.745 623 L CB -1.051 39.790 42.059 -2.030 0.000 0.894 623 L HN -0.123 nan 8.230 nan 0.000 0.432 624 Y N 0.702 120.748 120.300 -0.422 0.000 2.377 624 Y HA 0.312 4.863 4.550 0.001 0.000 0.339 624 Y C -0.003 175.882 175.900 -0.025 0.000 1.011 624 Y CA -1.907 56.069 58.100 -0.207 0.000 1.093 624 Y CB 0.540 38.999 38.460 -0.001 0.000 1.201 624 Y HN 0.198 nan 8.280 nan 0.000 0.455 625 D N 2.510 123.016 120.400 0.178 0.000 2.443 625 D HA 0.025 4.666 4.640 0.001 0.000 0.239 625 D C -0.328 176.190 176.300 0.363 0.000 1.136 625 D CA -0.356 53.841 54.000 0.328 0.000 0.879 625 D CB 0.747 41.791 40.800 0.407 0.000 1.195 625 D HN 0.495 nan 8.370 nan 0.000 0.443 626 R N 1.398 122.144 120.500 0.410 0.000 2.570 626 R HA 0.069 4.410 4.340 0.001 0.000 0.277 626 R C 0.659 177.110 176.300 0.250 0.000 1.039 626 R CA -0.329 55.940 56.100 0.281 0.000 1.065 626 R CB 0.238 30.637 30.300 0.167 0.000 0.964 626 R HN 0.456 nan 8.270 nan 0.000 0.428 627 N N 3.597 122.375 118.700 0.131 0.000 2.422 627 N HA 0.075 4.816 4.740 0.001 0.000 0.264 627 N C -1.920 173.597 175.510 0.011 0.000 1.063 627 N CA -1.861 51.208 53.050 0.031 0.000 0.959 627 N CB 1.456 39.919 38.487 -0.041 0.000 1.087 627 N HN 0.258 nan 8.380 nan 0.000 0.483 628 P HA -0.090 nan 4.420 nan 0.000 0.223 628 P C -0.198 177.032 177.300 -0.117 0.000 1.144 628 P CA 0.989 63.896 63.100 -0.323 0.000 0.783 628 P CB 0.222 31.587 31.700 -0.558 0.000 0.771 629 Q N -3.335 116.419 119.800 -0.076 0.000 2.465 629 Q HA -0.208 4.133 4.340 0.001 0.000 0.248 629 Q C 0.075 176.066 176.000 -0.015 0.000 0.819 629 Q CA 0.950 56.727 55.803 -0.042 0.000 1.219 629 Q CB -1.411 27.309 28.738 -0.030 0.000 1.472 629 Q HN 0.274 nan 8.270 nan 0.000 0.630 630 K N 0.060 120.441 120.400 -0.032 0.000 2.513 630 K HA 0.379 4.700 4.320 0.001 0.000 0.251 630 K C -1.347 175.265 176.600 0.020 0.000 0.939 630 K CA -0.787 55.503 56.287 0.006 0.000 0.793 630 K CB 0.925 33.407 32.500 -0.030 0.000 1.241 630 K HN -0.004 nan 8.250 nan 0.000 0.431 631 F N 5.481 125.398 119.950 -0.056 0.000 2.519 631 F HA 0.165 4.693 4.527 0.001 0.000 0.375 631 F C -0.338 175.427 175.800 -0.059 0.000 1.084 631 F CA 0.128 58.092 58.000 -0.059 0.000 1.147 631 F CB 0.411 39.386 39.000 -0.042 0.000 1.088 631 F HN 0.190 nan 8.300 nan 0.000 0.555 632 V N 5.100 124.629 119.914 -0.640 0.000 2.769 632 V HA 0.485 4.606 4.120 0.001 0.000 0.312 632 V C -2.141 173.520 176.094 -0.721 0.000 1.061 632 V CA -1.979 60.027 62.300 -0.489 0.000 0.931 632 V CB 1.516 33.164 31.823 -0.291 0.000 1.010 632 V HN 0.504 nan 8.190 nan 0.000 0.433 633 P HA -0.084 nan 4.420 nan 0.000 0.216 633 P C 0.211 177.358 177.300 -0.254 0.000 1.150 633 P CA 1.468 64.376 63.100 -0.320 0.000 0.843 633 P CB 0.136 31.754 31.700 -0.136 0.000 0.787 634 N N -1.166 117.413 118.700 -0.202 0.000 2.519 634 N HA 0.175 4.916 4.740 0.001 0.000 0.286 634 N C 0.643 176.082 175.510 -0.119 0.000 1.079 634 N CA -0.386 52.585 53.050 -0.131 0.000 0.878 634 N CB 0.818 39.255 38.487 -0.084 0.000 1.375 634 N HN -0.201 nan 8.380 nan 0.000 0.514 635 I N 1.951 122.418 120.570 -0.171 0.000 2.423 635 I HA -0.233 3.938 4.170 0.001 0.000 0.254 635 I C 1.244 177.350 176.117 -0.018 0.000 1.151 635 I CA 0.987 62.198 61.300 -0.148 0.000 1.421 635 I CB -0.170 37.727 38.000 -0.171 0.000 1.079 635 I HN 0.414 nan 8.210 nan 0.000 0.431 636 F N 1.223 121.221 119.950 0.080 0.000 2.171 636 F HA -0.215 4.313 4.527 0.001 0.000 0.300 636 F C 1.677 177.600 175.800 0.206 0.000 1.090 636 F CA 1.257 59.359 58.000 0.171 0.000 1.293 636 F CB -0.464 38.588 39.000 0.086 0.000 1.013 636 F HN 0.136 nan 8.300 nan 0.000 0.486 637 D N 0.218 120.791 120.400 0.289 0.000 2.491 637 D HA 0.237 4.877 4.640 0.001 0.000 0.228 637 D C 0.499 176.879 176.300 0.135 0.000 1.183 637 D CA 0.110 54.247 54.000 0.229 0.000 0.827 637 D CB -0.301 40.613 40.800 0.190 0.000 0.989 637 D HN 0.036 nan 8.370 nan 0.000 0.494 638 A N 1.079 123.968 122.820 0.116 0.000 2.511 638 A HA 0.114 4.435 4.320 0.001 0.000 0.242 638 A C 0.787 178.450 177.584 0.131 0.000 1.069 638 A CA 0.083 52.127 52.037 0.012 0.000 0.763 638 A CB 0.728 19.624 19.000 -0.174 0.000 1.001 638 A HN -0.051 nan 8.150 nan 0.000 0.498 639 K N 2.734 123.180 120.400 0.076 0.000 2.087 639 K HA 0.269 4.590 4.320 0.001 0.000 0.255 639 K C -1.871 174.870 176.600 0.236 0.000 0.988 639 K CA -1.731 54.639 56.287 0.139 0.000 0.915 639 K CB 0.724 33.269 32.500 0.076 0.000 1.043 639 K HN 0.301 nan 8.250 nan 0.000 0.457 640 P HA -0.211 nan 4.420 nan 0.000 0.217 640 P C 0.774 178.209 177.300 0.224 0.000 1.151 640 P CA 1.404 64.644 63.100 0.232 0.000 0.849 640 P CB 0.149 31.916 31.700 0.112 0.000 0.787 641 A N -0.880 122.022 122.820 0.136 0.000 2.167 641 A HA -0.106 4.215 4.320 0.001 0.000 0.214 641 A C 1.702 179.328 177.584 0.070 0.000 1.151 641 A CA 1.192 53.285 52.037 0.094 0.000 0.735 641 A CB -0.857 18.178 19.000 0.059 0.000 0.802 641 A HN 0.075 nan 8.150 nan 0.000 0.467 642 D N -1.045 119.378 120.400 0.038 0.000 2.234 642 D HA -0.021 4.620 4.640 0.001 0.000 0.205 642 D C -0.301 175.916 176.300 -0.137 0.000 0.962 642 D CA 0.621 54.566 54.000 -0.092 0.000 0.855 642 D CB -0.260 40.410 40.800 -0.216 0.000 0.951 642 D HN 0.545 nan 8.370 nan 0.000 0.500 643 Y N 1.682 121.987 120.300 0.008 0.000 2.697 643 Y HA 0.112 4.662 4.550 0.001 0.000 0.349 643 Y C 0.781 176.682 175.900 0.002 0.000 1.120 643 Y CA 0.041 58.140 58.100 -0.001 0.000 1.468 643 Y CB -0.073 38.380 38.460 -0.011 0.000 1.182 643 Y HN -0.298 nan 8.280 nan 0.000 0.525 644 T N 2.092 116.701 114.554 0.092 0.000 2.859 644 T HA 0.502 4.853 4.350 0.001 0.000 0.281 644 T C -0.174 174.563 174.700 0.062 0.000 1.005 644 T CA -0.950 61.189 62.100 0.066 0.000 1.025 644 T CB 1.607 70.496 68.868 0.033 0.000 0.977 644 T HN 0.193 nan 8.240 nan 0.000 0.458 645 V N 2.049 121.998 119.914 0.058 0.000 2.555 645 V HA 0.614 4.735 4.120 0.001 0.000 0.286 645 V C 0.447 176.561 176.094 0.034 0.000 1.044 645 V CA -0.323 62.009 62.300 0.053 0.000 1.026 645 V CB 0.503 32.361 31.823 0.058 0.000 0.981 645 V HN 1.184 nan 8.190 nan 0.000 0.480 646 A N 3.602 126.433 122.820 0.018 0.000 2.498 646 A HA 0.786 5.107 4.320 0.001 0.000 0.298 646 A C -0.260 177.310 177.584 -0.023 0.000 1.075 646 A CA -0.601 51.437 52.037 0.000 0.000 0.714 646 A CB 1.779 20.771 19.000 -0.013 0.000 1.299 646 A HN 0.657 nan 8.150 nan 0.000 0.407 647 T N 3.093 117.636 114.554 -0.018 0.000 2.733 647 T HA 0.445 4.796 4.350 0.001 0.000 0.294 647 T C -0.497 174.162 174.700 -0.067 0.000 0.956 647 T CA -0.317 61.759 62.100 -0.039 0.000 0.987 647 T CB 0.621 69.490 68.868 0.002 0.000 0.920 647 T HN 0.567 nan 8.240 nan 0.000 0.470 648 Q N 2.040 121.705 119.800 -0.225 0.000 2.256 648 Q HA 0.554 4.895 4.340 0.001 0.000 0.257 648 Q C -0.688 175.242 176.000 -0.116 0.000 0.936 648 Q CA -0.609 55.071 55.803 -0.205 0.000 0.903 648 Q CB 1.887 30.263 28.738 -0.603 0.000 1.263 648 Q HN 0.533 nan 8.270 nan 0.000 0.440 649 S N 2.554 118.300 115.700 0.077 0.000 2.605 649 S HA 0.517 4.987 4.470 0.001 0.000 0.308 649 S C -0.164 174.524 174.600 0.146 0.000 1.113 649 S CA -0.709 57.561 58.200 0.116 0.000 1.049 649 S CB 0.869 64.134 63.200 0.108 0.000 1.001 649 S HN 0.386 nan 8.310 nan 0.000 0.480 650 I N 3.349 124.043 120.570 0.206 0.000 2.330 650 I HA 0.258 4.429 4.170 0.001 0.000 0.286 650 I C 0.342 176.573 176.117 0.189 0.000 1.025 650 I CA -0.370 61.045 61.300 0.192 0.000 1.197 650 I CB 0.107 38.268 38.000 0.268 0.000 1.358 650 I HN 0.720 nan 8.210 nan 0.000 0.467 651 H N 6.192 125.301 119.070 0.065 0.000 2.629 651 H HA 0.384 4.941 4.556 0.001 0.000 0.357 651 H C -0.456 174.877 175.328 0.008 0.000 1.121 651 H CA 0.365 56.400 56.048 -0.022 0.000 1.406 651 H CB 0.589 30.318 29.762 -0.056 0.000 1.456 651 H HN 0.695 nan 8.280 nan 0.000 0.579 652 H N 1.509 120.403 119.070 -0.293 0.000 2.894 652 H HA 0.576 5.132 4.556 0.001 0.000 0.367 652 H C 0.084 175.288 175.328 -0.206 0.000 1.144 652 H CA -0.673 55.276 56.048 -0.165 0.000 1.180 652 H CB 1.116 30.777 29.762 -0.168 0.000 1.758 652 H HN 1.005 nan 8.280 nan 0.000 0.541 653 G N 0.419 109.205 108.800 -0.023 0.000 2.795 653 G HA2 0.326 4.286 3.960 0.001 0.000 0.664 653 G HA3 0.326 4.286 3.960 0.001 0.000 0.664 653 G C 0.533 175.371 174.900 -0.104 0.000 1.381 653 G CA 0.388 45.398 45.100 -0.149 0.000 0.853 653 G HN 2.206 nan 8.290 nan 0.000 0.545 654 G N -0.369 108.354 108.800 -0.130 0.000 2.582 654 G HA2 -0.220 3.741 3.960 0.001 0.000 0.288 654 G HA3 -0.220 3.741 3.960 0.001 0.000 0.288 654 G C 1.052 175.923 174.900 -0.049 0.000 1.247 654 G CA 1.253 46.321 45.100 -0.052 0.000 0.972 654 G HN 1.555 nan 8.290 nan 0.000 0.557 655 K N 0.870 121.187 120.400 -0.139 0.000 2.217 655 K HA 0.094 4.414 4.320 0.001 0.000 0.202 655 K C 1.271 177.561 176.600 -0.516 0.000 1.051 655 K CA 1.491 57.637 56.287 -0.235 0.000 0.952 655 K CB 0.043 32.416 32.500 -0.212 0.000 0.736 655 K HN 0.522 nan 8.250 nan 0.000 0.453 656 E N 0.514 120.333 120.200 -0.636 0.000 3.012 656 E HA 0.205 4.555 4.350 0.001 0.000 0.228 656 E C -1.280 174.920 176.600 -0.666 0.000 1.184 656 E CA -0.426 55.182 56.400 -1.320 0.000 1.407 656 E CB 1.247 30.325 29.700 -1.036 0.000 1.438 656 E HN 0.150 nan 8.360 nan 0.000 0.435 657 A N 1.537 124.141 122.820 -0.360 0.000 2.457 657 A HA 0.161 4.482 4.320 0.001 0.000 0.298 657 A C 0.429 178.192 177.584 0.298 0.000 1.288 657 A CA -0.249 51.830 52.037 0.070 0.000 0.956 657 A CB -0.085 19.028 19.000 0.189 0.000 1.135 657 A HN 0.164 nan 8.150 nan 0.000 0.535 658 T N 2.637 117.368 114.554 0.295 0.000 2.916 658 T HA 0.443 4.793 4.350 0.001 0.000 0.303 658 T C 0.692 175.451 174.700 0.099 0.000 1.025 658 T CA 0.882 63.138 62.100 0.259 0.000 1.142 658 T CB 0.280 69.228 68.868 0.133 0.000 0.947 658 T HN 1.181 nan 8.240 nan 0.000 0.544 659 S N 2.373 118.077 115.700 0.008 0.000 2.672 659 S HA 0.686 5.157 4.470 0.001 0.000 0.271 659 S C -1.759 172.731 174.600 -0.182 0.000 1.171 659 S CA -1.026 57.090 58.200 -0.140 0.000 0.817 659 S CB 1.208 64.238 63.200 -0.284 0.000 1.150 659 S HN 0.354 nan 8.310 nan 0.000 0.478 660 I N 2.094 122.530 120.570 -0.223 0.000 2.382 660 I HA 0.349 4.520 4.170 0.001 0.000 0.285 660 I C -0.607 175.398 176.117 -0.186 0.000 1.007 660 I CA -0.906 60.275 61.300 -0.199 0.000 1.142 660 I CB 1.085 38.987 38.000 -0.163 0.000 1.289 660 I HN 0.669 nan 8.210 nan 0.000 0.453 661 L N 6.839 127.959 121.223 -0.171 0.000 2.536 661 L HA 0.220 4.560 4.340 0.001 0.000 0.282 661 L C 0.230 177.051 176.870 -0.082 0.000 1.147 661 L CA -0.001 54.764 54.840 -0.125 0.000 0.936 661 L CB -0.216 41.782 42.059 -0.103 0.000 1.279 661 L HN 0.333 nan 8.230 nan 0.000 0.461 662 L N 6.222 127.422 121.223 -0.039 0.000 2.349 662 L HA 0.292 4.633 4.340 0.001 0.000 0.275 662 L C -1.684 175.198 176.870 0.019 0.000 1.115 662 L CA -1.652 53.201 54.840 0.021 0.000 0.820 662 L CB 1.194 43.313 42.059 0.100 0.000 1.135 662 L HN 0.339 nan 8.230 nan 0.000 0.445 663 P HA 0.092 nan 4.420 nan 0.000 0.214 663 P C -0.359 176.939 177.300 -0.004 0.000 1.826 663 P CA -0.194 62.886 63.100 -0.034 0.000 0.977 663 P CB 0.063 31.717 31.700 -0.077 0.000 1.930 664 V N 2.801 122.725 119.914 0.017 0.000 2.529 664 V HA 0.077 4.198 4.120 0.001 0.000 0.292 664 V C 1.101 177.180 176.094 -0.025 0.000 1.028 664 V CA 0.101 62.408 62.300 0.013 0.000 1.074 664 V CB 0.855 32.667 31.823 -0.017 0.000 0.958 664 V HN 0.258 nan 8.190 nan 0.000 0.481 665 V N 2.639 122.543 119.914 -0.016 0.000 2.960 665 V HA 0.771 4.892 4.120 0.001 0.000 0.315 665 V C -0.256 175.828 176.094 -0.016 0.000 1.087 665 V CA -1.317 60.970 62.300 -0.023 0.000 0.982 665 V CB 1.884 33.697 31.823 -0.018 0.000 1.039 665 V HN 0.624 nan 8.190 nan 0.000 0.437 666 K N 0.000 120.392 120.400 -0.014 0.000 2.780 666 K HA 0.000 4.321 4.320 0.001 0.000 0.191 666 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543