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 2b9v_1_F DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF 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 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.529 124.936 120.400 0.012 0.000 2.358 51 D HA 0.123 4.763 4.640 -0.000 0.000 0.258 51 D C -1.198 175.084 176.300 -0.030 0.000 1.223 51 D CA -1.951 52.030 54.000 -0.032 0.000 0.886 51 D CB 1.307 42.107 40.800 -0.000 0.000 1.120 51 D HN 0.284 nan 8.370 nan 0.000 0.482 52 P HA -0.079 nan 4.420 nan 0.000 0.223 52 P C 1.297 178.593 177.300 -0.007 0.000 1.151 52 P CA 0.632 63.708 63.100 -0.040 0.000 0.787 52 P CB 0.248 31.908 31.700 -0.068 0.000 0.788 53 L N -1.358 119.859 121.223 -0.010 0.000 2.627 53 L HA 0.096 4.436 4.340 -0.000 0.000 0.233 53 L C 1.726 178.600 176.870 0.007 0.000 1.144 53 L CA 0.570 55.409 54.840 -0.002 0.000 0.892 53 L CB -0.341 41.714 42.059 -0.006 0.000 1.039 53 L HN -0.030 nan 8.230 nan 0.000 0.442 54 S N -2.019 113.690 115.700 0.015 0.000 3.084 54 S HA 0.187 4.657 4.470 -0.000 0.000 0.262 54 S C 0.329 174.949 174.600 0.032 0.000 1.081 54 S CA -0.205 58.008 58.200 0.021 0.000 0.855 54 S CB 1.150 64.362 63.200 0.020 0.000 0.857 54 S HN -0.047 nan 8.310 nan 0.000 0.449 55 V N 3.231 123.177 119.914 0.053 0.000 2.378 55 V HA 0.569 4.689 4.120 -0.000 0.000 0.288 55 V C -0.704 175.447 176.094 0.094 0.000 1.016 55 V CA -0.521 61.822 62.300 0.072 0.000 0.840 55 V CB 1.340 33.225 31.823 0.104 0.000 0.994 55 V HN 0.243 nan 8.190 nan 0.000 0.431 56 Q N 3.353 123.190 119.800 0.062 0.000 2.372 56 Q HA 0.410 4.750 4.340 -0.000 0.000 0.259 56 Q C 0.623 176.650 176.000 0.045 0.000 0.993 56 Q CA -0.061 55.777 55.803 0.058 0.000 0.854 56 Q CB 1.557 30.316 28.738 0.035 0.000 1.231 56 Q HN 0.871 nan 8.270 nan 0.000 0.462 57 T N 0.070 114.658 114.554 0.057 0.000 3.054 57 T HA 0.462 4.812 4.350 -0.000 0.000 0.255 57 T C 0.702 175.415 174.700 0.021 0.000 1.035 57 T CA 0.151 62.261 62.100 0.016 0.000 0.941 57 T CB 0.560 69.406 68.868 -0.036 0.000 1.026 57 T HN 0.453 nan 8.240 nan 0.000 0.533 58 G N 0.917 109.738 108.800 0.034 0.000 3.099 58 G HA2 0.579 4.539 3.960 -0.000 0.000 0.151 58 G HA3 0.579 4.539 3.960 -0.000 0.000 0.151 58 G C -0.986 173.926 174.900 0.019 0.000 1.265 58 G CA -0.604 44.512 45.100 0.027 0.000 0.981 58 G HN 0.304 nan 8.290 nan 0.000 0.601 59 S N -1.048 114.663 115.700 0.017 0.000 2.537 59 S HA 0.419 4.888 4.470 -0.000 0.000 0.301 59 S C -0.149 174.459 174.600 0.013 0.000 1.092 59 S CA -0.573 57.635 58.200 0.013 0.000 1.048 59 S CB 1.589 64.795 63.200 0.011 0.000 1.053 59 S HN 0.338 nan 8.310 nan 0.000 0.501 60 D N 2.371 122.778 120.400 0.011 0.000 2.349 60 D HA 0.221 4.861 4.640 -0.000 0.000 0.215 60 D C 0.047 176.352 176.300 0.008 0.000 1.016 60 D CA 0.452 54.458 54.000 0.010 0.000 0.870 60 D CB 0.069 40.874 40.800 0.009 0.000 0.917 60 D HN 0.505 nan 8.370 nan 0.000 0.524 61 I N 2.892 123.467 120.570 0.008 0.000 2.337 61 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 61 I C -1.571 174.551 176.117 0.008 0.000 1.046 61 I CA -1.644 59.661 61.300 0.008 0.000 1.324 61 I CB 0.886 38.890 38.000 0.007 0.000 1.409 61 I HN -0.213 nan 8.210 nan 0.000 0.494 73 R N 1.990 122.422 120.500 -0.113 0.000 2.679 73 R HA 0.044 4.384 4.340 -0.000 0.000 0.269 73 R C 0.242 176.473 176.300 -0.116 0.000 1.076 73 R CA 0.738 56.730 56.100 -0.180 0.000 1.160 73 R CB 0.258 30.259 30.300 -0.498 0.000 1.054 73 R HN 0.125 nan 8.270 nan 0.000 0.507 74 D N 0.414 120.809 120.400 -0.009 0.000 2.424 74 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 74 D C -0.556 175.844 176.300 0.166 0.000 1.150 74 D CA -0.147 53.898 54.000 0.077 0.000 0.831 74 D CB -0.123 40.743 40.800 0.110 0.000 0.981 74 D HN 0.494 nan 8.370 nan 0.000 0.500 75 Y N -1.228 119.086 120.300 0.024 0.000 2.689 75 Y HA 0.572 5.122 4.550 -0.000 0.000 0.333 75 Y C -1.339 174.577 175.900 0.027 0.000 1.208 75 Y CA -1.856 56.261 58.100 0.028 0.000 1.055 75 Y CB 0.960 39.442 38.460 0.037 0.000 1.304 75 Y HN -0.056 nan 8.280 nan 0.000 0.455 76 I N 0.099 120.769 120.570 0.166 0.000 2.689 76 I HA 0.697 4.867 4.170 -0.000 0.000 0.299 76 I C -1.415 174.849 176.117 0.245 0.000 1.059 76 I CA -1.139 60.206 61.300 0.075 0.000 1.055 76 I CB 2.392 40.417 38.000 0.041 0.000 1.243 76 I HN 0.769 nan 8.210 nan 0.000 0.425 77 K N 5.021 125.535 120.400 0.190 0.000 2.323 77 K HA 0.561 4.881 4.320 -0.000 0.000 0.259 77 K C -1.119 175.548 176.600 0.111 0.000 0.947 77 K CA -0.687 55.717 56.287 0.196 0.000 0.819 77 K CB 1.744 34.394 32.500 0.250 0.000 1.109 77 K HN 0.732 nan 8.250 nan 0.000 0.429 78 R N 2.793 123.346 120.500 0.087 0.000 2.445 78 R HA 0.259 4.599 4.340 -0.000 0.000 0.308 78 R C -0.909 175.391 176.300 0.001 0.000 0.961 78 R CA -0.702 55.433 56.100 0.057 0.000 0.862 78 R CB 1.888 32.232 30.300 0.074 0.000 1.144 78 R HN 0.583 nan 8.270 nan 0.000 0.447 79 E N 2.300 122.489 120.200 -0.019 0.000 2.155 79 E HA 0.382 4.732 4.350 -0.000 0.000 0.264 79 E C -1.027 175.503 176.600 -0.117 0.000 0.886 79 E CA -0.673 55.648 56.400 -0.131 0.000 0.752 79 E CB 2.203 31.900 29.700 -0.005 0.000 1.133 79 E HN 0.153 nan 8.360 nan 0.000 0.414 80 V N 2.684 122.455 119.914 -0.238 0.000 3.007 80 V HA 0.395 4.515 4.120 -0.000 0.000 0.311 80 V C -0.430 175.495 176.094 -0.282 0.000 1.120 80 V CA -1.065 61.114 62.300 -0.202 0.000 0.980 80 V CB 2.117 33.800 31.823 -0.234 0.000 1.033 80 V HN 0.695 nan 8.190 nan 0.000 0.429 81 M N 3.079 122.563 119.600 -0.193 0.000 2.080 81 M HA 0.383 4.863 4.480 -0.000 0.000 0.350 81 M C -0.659 175.467 176.300 -0.290 0.000 1.143 81 M CA -0.362 54.842 55.300 -0.159 0.000 1.064 81 M CB 0.923 33.502 32.600 -0.036 0.000 1.429 81 M HN 0.406 nan 8.290 nan 0.000 0.418 82 V N 7.452 127.113 119.914 -0.421 0.000 2.389 82 V HA 0.230 4.350 4.120 -0.000 0.000 0.264 82 V C -1.807 174.127 176.094 -0.266 0.000 1.049 82 V CA -1.225 60.713 62.300 -0.604 0.000 0.932 82 V CB 0.570 31.967 31.823 -0.711 0.000 1.011 82 V HN 0.557 nan 8.190 nan 0.000 0.475 83 P HA 0.251 nan 4.420 nan 0.000 0.276 83 P C -0.443 176.870 177.300 0.022 0.000 1.230 83 P CA -0.351 62.733 63.100 -0.026 0.000 0.776 83 P CB 0.886 32.603 31.700 0.028 0.000 0.888 84 M N 2.779 122.403 119.600 0.039 0.000 2.369 84 M HA 0.252 4.732 4.480 -0.000 0.000 0.291 84 M C 2.109 178.454 176.300 0.076 0.000 1.178 84 M CA -0.657 54.685 55.300 0.071 0.000 0.996 84 M CB 0.361 33.001 32.600 0.067 0.000 1.472 84 M HN 0.404 nan 8.290 nan 0.000 0.496 85 R N 0.672 121.221 120.500 0.082 0.000 2.159 85 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 85 R C 0.504 176.829 176.300 0.040 0.000 1.131 85 R CA 1.905 58.041 56.100 0.060 0.000 0.982 85 R CB -0.546 29.776 30.300 0.038 0.000 0.868 85 R HN 0.675 nan 8.270 nan 0.000 0.453 86 D N -0.757 119.667 120.400 0.040 0.000 2.340 86 D HA 0.100 4.740 4.640 -0.000 0.000 0.217 86 D C 1.104 177.425 176.300 0.036 0.000 1.081 86 D CA 0.522 54.542 54.000 0.034 0.000 0.842 86 D CB 0.566 41.386 40.800 0.034 0.000 0.934 86 D HN 0.434 nan 8.370 nan 0.000 0.511 87 G N -0.137 108.686 108.800 0.039 0.000 2.241 87 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 87 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 87 G C 0.260 175.181 174.900 0.034 0.000 0.998 87 G CA 0.126 45.248 45.100 0.036 0.000 0.621 87 G HN 0.368 nan 8.290 nan 0.000 0.519 88 V N 1.975 121.912 119.914 0.038 0.000 2.655 88 V HA 0.351 4.471 4.120 -0.000 0.000 0.300 88 V C 0.705 176.817 176.094 0.030 0.000 1.044 88 V CA 0.506 62.830 62.300 0.039 0.000 1.095 88 V CB 1.279 33.132 31.823 0.050 0.000 0.952 88 V HN 0.358 nan 8.190 nan 0.000 0.485 89 K N 5.772 126.186 120.400 0.024 0.000 2.206 89 K HA 0.650 4.970 4.320 -0.000 0.000 0.264 89 K C -1.123 175.487 176.600 0.016 0.000 0.967 89 K CA -0.514 55.774 56.287 0.002 0.000 0.844 89 K CB 1.663 34.162 32.500 -0.002 0.000 1.099 89 K HN 0.478 nan 8.250 nan 0.000 0.441 90 L N 3.137 124.353 121.223 -0.011 0.000 2.322 90 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 90 L C -0.421 176.460 176.870 0.018 0.000 1.014 90 L CA -1.222 53.635 54.840 0.028 0.000 0.815 90 L CB 0.670 42.744 42.059 0.024 0.000 1.247 90 L HN 0.561 nan 8.230 nan 0.000 0.421 91 Y N 2.640 122.925 120.300 -0.024 0.000 2.569 91 Y HA 0.151 4.701 4.550 -0.000 0.000 0.332 91 Y C -0.157 175.729 175.900 -0.023 0.000 1.120 91 Y CA 0.304 58.390 58.100 -0.023 0.000 1.416 91 Y CB 0.560 39.028 38.460 0.013 0.000 1.210 91 Y HN 0.509 nan 8.280 nan 0.000 0.528 92 T N 6.215 120.442 114.554 -0.546 0.000 2.886 92 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 92 T C -1.238 173.161 174.700 -0.502 0.000 1.012 92 T CA -0.723 61.141 62.100 -0.394 0.000 0.982 92 T CB 1.339 70.023 68.868 -0.307 0.000 1.018 92 T HN 0.369 nan 8.240 nan 0.000 0.451 93 V N 4.120 123.879 119.914 -0.258 0.000 2.409 93 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 93 V C -0.713 175.385 176.094 0.007 0.000 1.020 93 V CA -0.793 61.430 62.300 -0.129 0.000 0.848 93 V CB 1.191 33.022 31.823 0.013 0.000 0.990 93 V HN 0.775 nan 8.190 nan 0.000 0.430 94 I N 5.236 125.819 120.570 0.022 0.000 2.382 94 I HA 0.447 4.617 4.170 -0.000 0.000 0.286 94 I C -0.315 175.855 176.117 0.088 0.000 1.002 94 I CA -0.450 60.886 61.300 0.060 0.000 1.135 94 I CB 1.984 40.030 38.000 0.076 0.000 1.288 94 I HN 0.295 nan 8.210 nan 0.000 0.448 95 V N 7.507 127.476 119.914 0.091 0.000 2.328 95 V HA 0.456 4.576 4.120 -0.000 0.000 0.278 95 V C 0.074 176.227 176.094 0.099 0.000 1.021 95 V CA -0.394 61.966 62.300 0.101 0.000 0.838 95 V CB 1.013 32.853 31.823 0.028 0.000 0.999 95 V HN 0.481 nan 8.190 nan 0.000 0.447 96 I N 7.517 128.169 120.570 0.137 0.000 2.362 96 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 96 I C -2.360 173.842 176.117 0.141 0.000 0.994 96 I CA -2.200 59.166 61.300 0.110 0.000 1.158 96 I CB 2.390 40.441 38.000 0.085 0.000 1.315 96 I HN 0.394 nan 8.210 nan 0.000 0.451 97 P HA 0.073 nan 4.420 nan 0.000 0.269 97 P C -0.694 176.661 177.300 0.091 0.000 1.215 97 P CA -0.350 62.823 63.100 0.122 0.000 0.780 97 P CB 0.528 32.281 31.700 0.088 0.000 0.898 98 K N 1.857 122.307 120.400 0.084 0.000 2.382 98 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 98 K C 0.422 177.040 176.600 0.030 0.000 1.009 98 K CA 0.289 56.603 56.287 0.045 0.000 0.970 98 K CB -0.473 32.043 32.500 0.027 0.000 0.934 98 K HN 0.424 nan 8.250 nan 0.000 0.479 99 N N -0.161 118.549 118.700 0.017 0.000 2.708 99 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 99 N C -1.217 174.297 175.510 0.006 0.000 1.097 99 N CA 0.557 53.612 53.050 0.008 0.000 0.710 99 N CB -0.661 37.830 38.487 0.006 0.000 1.032 99 N HN 0.604 nan 8.380 nan 0.000 0.551 100 A N 0.680 123.506 122.820 0.010 0.000 2.363 100 A HA 0.659 4.979 4.320 -0.000 0.000 0.270 100 A C 0.528 178.103 177.584 -0.014 0.000 1.121 100 A CA 0.005 52.042 52.037 0.001 0.000 0.800 100 A CB 0.744 19.750 19.000 0.011 0.000 1.052 100 A HN 0.362 nan 8.150 nan 0.000 0.493 101 R N 1.643 122.127 120.500 -0.028 0.000 2.522 101 R HA 0.362 4.702 4.340 -0.000 0.000 0.283 101 R C -0.634 175.634 176.300 -0.054 0.000 1.074 101 R CA -0.321 55.757 56.100 -0.037 0.000 0.925 101 R CB 0.724 31.005 30.300 -0.031 0.000 1.205 101 R HN 1.003 nan 8.270 nan 0.000 0.436 102 N N 0.693 119.354 118.700 -0.064 0.000 2.754 102 N HA -0.249 4.491 4.740 -0.000 0.000 0.248 102 N C -0.997 174.450 175.510 -0.106 0.000 1.093 102 N CA 0.705 53.706 53.050 -0.081 0.000 0.699 102 N CB -0.615 37.828 38.487 -0.073 0.000 1.016 102 N HN 0.572 nan 8.380 nan 0.000 0.552 103 A N 0.428 123.183 122.820 -0.108 0.000 2.327 103 A HA 0.607 4.927 4.320 -0.000 0.000 0.283 103 A C -1.903 175.564 177.584 -0.195 0.000 1.127 103 A CA -1.215 50.729 52.037 -0.156 0.000 0.810 103 A CB 0.689 19.625 19.000 -0.107 0.000 1.066 103 A HN 0.052 nan 8.150 nan 0.000 0.492 104 P HA 0.360 nan 4.420 nan 0.000 0.274 104 P C -0.757 176.439 177.300 -0.173 0.000 1.237 104 P CA -0.001 62.920 63.100 -0.299 0.000 0.793 104 P CB 0.734 32.137 31.700 -0.494 0.000 0.977 105 I N 1.308 121.843 120.570 -0.059 0.000 2.377 105 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 105 I C 0.004 176.151 176.117 0.050 0.000 0.987 105 I CA -0.969 60.334 61.300 0.004 0.000 1.185 105 I CB 1.584 39.563 38.000 -0.035 0.000 1.341 105 I HN 0.147 nan 8.210 nan 0.000 0.455 106 L N 7.628 128.864 121.223 0.023 0.000 2.298 106 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 106 L C -1.107 175.658 176.870 -0.174 0.000 1.013 106 L CA -0.404 54.377 54.840 -0.098 0.000 0.824 106 L CB 1.351 43.213 42.059 -0.329 0.000 1.221 106 L HN 0.467 nan 8.230 nan 0.000 0.418 107 L N 4.704 125.842 121.223 -0.142 0.000 2.329 107 L HA 0.785 5.125 4.340 -0.000 0.000 0.279 107 L C -0.591 176.168 176.870 -0.185 0.000 1.014 107 L CA 0.393 55.131 54.840 -0.170 0.000 0.814 107 L CB 2.067 44.072 42.059 -0.091 0.000 1.257 107 L HN 0.662 nan 8.230 nan 0.000 0.424 108 T N 4.812 119.206 114.554 -0.267 0.000 2.916 108 T HA 0.569 4.919 4.350 -0.000 0.000 0.298 108 T C -0.820 173.868 174.700 -0.019 0.000 1.031 108 T CA -0.633 61.372 62.100 -0.158 0.000 0.993 108 T CB 1.355 70.060 68.868 -0.272 0.000 1.045 108 T HN 0.532 nan 8.240 nan 0.000 0.454 109 R N 1.604 122.159 120.500 0.092 0.000 2.343 109 R HA 0.725 5.065 4.340 -0.000 0.000 0.320 109 R C -0.503 175.924 176.300 0.211 0.000 0.956 109 R CA -0.784 55.405 56.100 0.147 0.000 0.836 109 R CB 1.876 32.261 30.300 0.141 0.000 1.151 109 R HN 0.530 nan 8.270 nan 0.000 0.450 110 T N 2.119 116.787 114.554 0.190 0.000 2.909 110 T HA 0.425 4.775 4.350 -0.000 0.000 0.299 110 T C -2.285 172.385 174.700 -0.049 0.000 1.073 110 T CA -2.091 60.083 62.100 0.124 0.000 0.999 110 T CB 1.848 70.853 68.868 0.228 0.000 1.098 110 T HN 0.339 nan 8.240 nan 0.000 0.477 111 P HA 0.212 nan 4.420 nan 0.000 0.261 111 P C -0.306 176.786 177.300 -0.347 0.000 1.268 111 P CA 0.032 62.823 63.100 -0.514 0.000 0.833 111 P CB -0.038 31.025 31.700 -1.062 0.000 1.231 112 Y N 0.697 121.000 120.300 0.006 0.000 2.811 112 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 112 Y C 0.473 176.187 175.900 -0.310 0.000 1.081 112 Y CA -1.379 56.691 58.100 -0.050 0.000 1.408 112 Y CB -1.360 37.112 38.460 0.021 0.000 1.235 112 Y HN 0.070 nan 8.280 nan 0.000 0.529 113 N N 0.212 118.619 118.700 -0.487 0.000 2.411 113 N HA -0.217 4.523 4.740 -0.000 0.000 0.286 113 N C 0.924 176.267 175.510 -0.279 0.000 1.382 113 N CA 0.174 52.750 53.050 -0.790 0.000 0.630 113 N CB -0.196 37.563 38.487 -1.212 0.000 0.904 113 N HN 0.522 nan 8.380 nan 0.000 0.516 114 A N 3.656 126.435 122.820 -0.067 0.000 1.908 114 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 114 A C 1.949 179.550 177.584 0.028 0.000 1.181 114 A CA 1.953 54.035 52.037 0.076 0.000 0.627 114 A CB -0.308 18.859 19.000 0.279 0.000 0.818 114 A HN 0.770 nan 8.150 nan 0.000 0.445 115 K N -0.815 119.634 120.400 0.083 0.000 2.063 115 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 115 K C 1.978 178.538 176.600 -0.066 0.000 1.048 115 K CA 1.480 57.813 56.287 0.076 0.000 0.928 115 K CB -0.479 32.028 32.500 0.011 0.000 0.713 115 K HN 0.418 nan 8.250 nan 0.000 0.442 116 G N 0.646 109.357 108.800 -0.149 0.000 2.421 116 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 116 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 116 G C 1.416 176.188 174.900 -0.213 0.000 1.143 116 G CA 0.001 45.005 45.100 -0.161 0.000 0.784 116 G HN 0.154 nan 8.290 nan 0.000 0.541 117 R N 0.890 121.196 120.500 -0.323 0.000 2.120 117 R HA 0.037 4.377 4.340 -0.000 0.000 0.234 117 R C 2.229 178.098 176.300 -0.718 0.000 1.123 117 R CA 1.065 56.830 56.100 -0.559 0.000 0.975 117 R CB -0.654 29.151 30.300 -0.826 0.000 0.866 117 R HN 0.326 nan 8.270 nan 0.000 0.446 118 A N 0.857 123.342 122.820 -0.559 0.000 2.462 118 A HA 0.138 4.458 4.320 -0.000 0.000 0.261 118 A C 0.092 177.587 177.584 -0.148 0.000 1.323 118 A CA -0.134 51.720 52.037 -0.306 0.000 0.913 118 A CB -0.035 18.908 19.000 -0.094 0.000 1.028 118 A HN 0.070 nan 8.150 nan 0.000 0.511 119 N N -0.019 118.594 118.700 -0.145 0.000 2.646 119 N HA 0.104 4.844 4.740 -0.000 0.000 0.296 119 N C 0.986 176.454 175.510 -0.069 0.000 1.886 119 N CA -0.295 52.711 53.050 -0.074 0.000 0.855 119 N CB 0.269 38.730 38.487 -0.042 0.000 1.336 119 N HN 0.385 nan 8.380 nan 0.000 0.496 120 R N -0.232 120.223 120.500 -0.075 0.000 2.080 120 R HA 0.009 4.349 4.340 -0.000 0.000 0.236 120 R C -0.230 176.057 176.300 -0.021 0.000 1.137 120 R CA 1.343 57.415 56.100 -0.046 0.000 0.943 120 R CB 0.038 30.317 30.300 -0.035 0.000 0.846 120 R HN 0.008 nan 8.270 nan 0.000 0.431 121 V N 4.611 124.517 119.914 -0.014 0.000 2.293 121 V HA 0.247 4.367 4.120 -0.000 0.000 0.275 121 V C -2.251 173.851 176.094 0.013 0.000 1.021 121 V CA -1.842 60.460 62.300 0.004 0.000 0.815 121 V CB 1.440 33.272 31.823 0.014 0.000 1.025 121 V HN 0.232 nan 8.190 nan 0.000 0.448 122 P HA 0.017 nan 4.420 nan 0.000 0.260 122 P C 0.272 177.601 177.300 0.048 0.000 1.185 122 P CA 0.559 63.672 63.100 0.022 0.000 0.763 122 P CB -0.106 31.602 31.700 0.014 0.000 0.776 123 N N -0.318 118.428 118.700 0.077 0.000 2.725 123 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 123 N C 0.261 175.851 175.510 0.133 0.000 1.103 123 N CA 0.437 53.555 53.050 0.115 0.000 0.707 123 N CB -1.388 37.141 38.487 0.071 0.000 1.043 123 N HN 0.627 nan 8.380 nan 0.000 0.553 124 A N -0.089 122.821 122.820 0.151 0.000 2.475 124 A HA 0.226 4.546 4.320 -0.000 0.000 0.239 124 A C 1.430 179.147 177.584 0.222 0.000 1.087 124 A CA 0.081 52.205 52.037 0.146 0.000 0.779 124 A CB 0.274 19.337 19.000 0.105 0.000 1.036 124 A HN 0.344 nan 8.150 nan 0.000 0.506 125 L N 0.190 121.502 121.223 0.148 0.000 2.270 125 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 125 L C 1.392 178.386 176.870 0.208 0.000 1.104 125 L CA 1.310 56.222 54.840 0.119 0.000 0.804 125 L CB -0.677 41.416 42.059 0.057 0.000 0.937 125 L HN 0.921 nan 8.230 nan 0.000 0.450 126 T N -4.424 110.267 114.554 0.229 0.000 2.885 126 T HA 0.280 4.630 4.350 -0.000 0.000 0.285 126 T C 0.647 175.450 174.700 0.171 0.000 1.019 126 T CA -0.678 61.553 62.100 0.219 0.000 1.010 126 T CB 2.418 71.349 68.868 0.106 0.000 1.022 126 T HN 0.003 nan 8.240 nan 0.000 0.466 127 M N 0.824 120.496 119.600 0.120 0.000 2.159 127 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 127 M C 2.415 178.648 176.300 -0.110 0.000 1.063 127 M CA 1.493 56.688 55.300 -0.174 0.000 1.110 127 M CB -0.230 32.333 32.600 -0.061 0.000 1.374 127 M HN 0.758 nan 8.290 nan 0.000 0.411 128 R N 0.741 121.229 120.500 -0.021 0.000 2.103 128 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 128 R C 1.631 177.919 176.300 -0.021 0.000 1.142 128 R CA 2.343 58.435 56.100 -0.013 0.000 0.960 128 R CB -0.459 29.844 30.300 0.006 0.000 0.858 128 R HN 0.551 nan 8.270 nan 0.000 0.439 129 E N -1.064 119.129 120.200 -0.012 0.000 2.107 129 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 129 E C 1.883 178.463 176.600 -0.033 0.000 0.982 129 E CA 1.118 57.514 56.400 -0.006 0.000 0.809 129 E CB -0.025 29.689 29.700 0.023 0.000 0.756 129 E HN 0.135 nan 8.360 nan 0.000 0.459 130 V N 1.167 121.028 119.914 -0.088 0.000 2.591 130 V HA -0.046 4.074 4.120 -0.000 0.000 0.249 130 V C 0.911 176.933 176.094 -0.120 0.000 1.053 130 V CA 0.794 63.016 62.300 -0.130 0.000 1.068 130 V CB 0.029 31.674 31.823 -0.298 0.000 0.689 130 V HN 0.072 nan 8.190 nan 0.000 0.462 131 L N 0.513 121.677 121.223 -0.099 0.000 2.399 131 L HA 0.404 4.744 4.340 -0.000 0.000 0.265 131 L C -2.133 174.726 176.870 -0.017 0.000 1.089 131 L CA -1.974 52.844 54.840 -0.037 0.000 0.802 131 L CB 0.690 42.756 42.059 0.011 0.000 1.180 131 L HN 0.009 nan 8.230 nan 0.000 0.454 132 P HA -0.047 nan 4.420 nan 0.000 0.270 132 P C -0.004 177.288 177.300 -0.013 0.000 1.227 132 P CA -0.164 62.936 63.100 0.001 0.000 0.788 132 P CB 0.467 32.178 31.700 0.017 0.000 0.926 133 Q N 0.974 120.754 119.800 -0.034 0.000 2.124 133 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 133 Q C 2.006 177.952 176.000 -0.089 0.000 0.977 133 Q CA 2.125 57.899 55.803 -0.048 0.000 0.850 133 Q CB -0.991 27.739 28.738 -0.013 0.000 0.901 133 Q HN 0.683 nan 8.270 nan 0.000 0.429 134 G N 0.104 108.805 108.800 -0.165 0.000 2.470 134 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 134 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 134 G C 0.596 175.485 174.900 -0.019 0.000 1.121 134 G CA 0.871 45.898 45.100 -0.122 0.000 0.766 134 G HN 0.377 nan 8.290 nan 0.000 0.553 135 D N 0.908 121.314 120.400 0.011 0.000 2.340 135 D HA 0.025 4.665 4.640 -0.000 0.000 0.220 135 D C 1.995 178.311 176.300 0.027 0.000 1.039 135 D CA 0.564 54.606 54.000 0.071 0.000 0.866 135 D CB 0.040 40.884 40.800 0.074 0.000 0.913 135 D HN 0.423 nan 8.370 nan 0.000 0.523 136 D N 0.883 121.266 120.400 -0.028 0.000 2.126 136 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 136 D C 2.036 178.267 176.300 -0.114 0.000 1.001 136 D CA 1.831 55.804 54.000 -0.045 0.000 0.841 136 D CB -0.922 39.868 40.800 -0.016 0.000 0.949 136 D HN 0.276 nan 8.370 nan 0.000 0.446 137 V N -2.566 117.184 119.914 -0.273 0.000 2.759 137 V HA -0.089 4.031 4.120 -0.000 0.000 0.256 137 V C 2.257 178.000 176.094 -0.585 0.000 1.080 137 V CA 1.164 63.177 62.300 -0.478 0.000 1.101 137 V CB -1.221 30.154 31.823 -0.746 0.000 0.698 137 V HN 0.005 nan 8.190 nan 0.000 0.477 138 F N -0.061 119.696 119.950 -0.321 0.000 2.569 138 F HA 0.237 4.764 4.527 -0.000 0.000 0.295 138 F C 2.284 178.028 175.800 -0.094 0.000 1.115 138 F CA 0.779 58.549 58.000 -0.382 0.000 1.450 138 F CB -0.462 38.155 39.000 -0.639 0.000 1.107 138 F HN -0.034 nan 8.300 nan 0.000 0.563 139 V N 0.081 120.034 119.914 0.065 0.000 2.379 139 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 139 V C 2.018 178.145 176.094 0.055 0.000 1.044 139 V CA 1.820 64.161 62.300 0.067 0.000 1.036 139 V CB -0.505 31.335 31.823 0.029 0.000 0.664 139 V HN 0.292 nan 8.190 nan 0.000 0.453 140 E N 0.406 120.609 120.200 0.005 0.000 2.204 140 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 140 E C 2.154 178.771 176.600 0.028 0.000 0.989 140 E CA 1.066 57.467 56.400 0.000 0.000 0.824 140 E CB -0.326 29.350 29.700 -0.040 0.000 0.756 140 E HN 0.631 nan 8.360 nan 0.000 0.477 141 G N -0.036 108.805 108.800 0.068 0.000 2.920 141 G HA2 0.131 4.091 3.960 -0.000 0.000 0.208 141 G HA3 0.131 4.091 3.960 -0.000 0.000 0.208 141 G C 0.997 176.026 174.900 0.215 0.000 1.159 141 G CA 0.170 45.370 45.100 0.168 0.000 0.784 141 G HN 0.365 nan 8.290 nan 0.000 0.535 142 G N -1.113 107.799 108.800 0.187 0.000 2.182 142 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 142 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 142 G C 0.048 175.027 174.900 0.131 0.000 1.042 142 G CA -0.057 45.116 45.100 0.122 0.000 0.775 142 G HN 0.359 nan 8.290 nan 0.000 0.501 143 Y N -0.705 119.628 120.300 0.055 0.000 2.300 143 Y HA 0.603 5.153 4.550 -0.000 0.000 0.328 143 Y C 1.451 177.360 175.900 0.016 0.000 1.270 143 Y CA -0.708 57.418 58.100 0.043 0.000 1.352 143 Y CB 0.654 39.157 38.460 0.072 0.000 1.286 143 Y HN 0.179 nan 8.280 nan 0.000 0.536 144 I N 2.852 123.497 120.570 0.126 0.000 2.353 144 I HA 0.316 4.486 4.170 -0.000 0.000 0.293 144 I C -0.223 175.931 176.117 0.062 0.000 0.992 144 I CA -0.711 60.632 61.300 0.072 0.000 1.268 144 I CB 1.203 39.220 38.000 0.028 0.000 1.387 144 I HN 0.380 nan 8.210 nan 0.000 0.478 145 R N 5.176 125.699 120.500 0.037 0.000 2.445 145 R HA 0.667 5.007 4.340 -0.000 0.000 0.308 145 R C -1.659 174.626 176.300 -0.024 0.000 0.961 145 R CA -0.471 55.614 56.100 -0.025 0.000 0.862 145 R CB 1.461 31.772 30.300 0.019 0.000 1.144 145 R HN 0.398 nan 8.270 nan 0.000 0.447 146 V N 5.509 125.340 119.914 -0.138 0.000 2.531 146 V HA 0.532 4.652 4.120 -0.000 0.000 0.301 146 V C -1.010 174.926 176.094 -0.263 0.000 1.034 146 V CA -0.609 61.633 62.300 -0.097 0.000 0.865 146 V CB 1.500 33.284 31.823 -0.065 0.000 0.995 146 V HN 0.611 nan 8.190 nan 0.000 0.424 147 F N 3.008 122.952 119.950 -0.009 0.000 2.482 147 F HA 0.629 5.156 4.527 -0.000 0.000 0.331 147 F C 0.128 175.929 175.800 0.002 0.000 1.115 147 F CA -0.291 57.716 58.000 0.011 0.000 0.955 147 F CB 1.948 40.963 39.000 0.024 0.000 1.136 147 F HN 0.413 nan 8.300 nan 0.000 0.452 148 Q N 2.954 122.861 119.800 0.179 0.000 2.323 148 Q HA 0.274 4.614 4.340 -0.000 0.000 0.271 148 Q C -1.610 174.488 176.000 0.163 0.000 1.048 148 Q CA -0.953 54.920 55.803 0.118 0.000 0.792 148 Q CB 1.743 30.509 28.738 0.047 0.000 1.280 148 Q HN 0.500 nan 8.270 nan 0.000 0.441 149 D N 4.356 124.872 120.400 0.193 0.000 2.383 149 D HA 0.166 4.806 4.640 -0.000 0.000 0.252 149 D C 0.542 176.928 176.300 0.143 0.000 1.166 149 D CA 0.090 54.199 54.000 0.180 0.000 0.879 149 D CB 0.559 41.492 40.800 0.222 0.000 1.164 149 D HN 0.556 nan 8.370 nan 0.000 0.462 150 I N -0.971 119.676 120.570 0.128 0.000 3.060 150 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 150 I C 0.839 177.048 176.117 0.155 0.000 1.190 150 I CA -0.832 60.563 61.300 0.158 0.000 1.363 150 I CB 0.639 38.772 38.000 0.222 0.000 1.396 150 I HN 0.154 nan 8.210 nan 0.000 0.607 151 R N 2.910 123.520 120.500 0.182 0.000 2.488 151 R HA 0.118 4.458 4.340 -0.000 0.000 0.317 151 R C 0.929 177.357 176.300 0.213 0.000 0.941 151 R CA 1.268 57.472 56.100 0.172 0.000 1.076 151 R CB -0.438 29.966 30.300 0.174 0.000 0.917 151 R HN 1.159 nan 8.270 nan 0.000 0.407 152 G N 3.072 111.956 108.800 0.140 0.000 2.157 152 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.239 152 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.239 152 G C -0.439 174.448 174.900 -0.022 0.000 0.982 152 G CA 0.024 45.197 45.100 0.122 0.000 0.650 152 G HN 0.520 nan 8.290 nan 0.000 0.527 153 K N -0.741 119.619 120.400 -0.068 0.000 2.318 153 K HA 0.669 4.989 4.320 -0.000 0.000 0.249 153 K C 0.914 177.502 176.600 -0.021 0.000 0.942 153 K CA -0.818 55.358 56.287 -0.185 0.000 0.808 153 K CB 1.559 33.920 32.500 -0.231 0.000 1.189 153 K HN 0.161 nan 8.250 nan 0.000 0.428 154 Y N 0.256 120.479 120.300 -0.128 0.000 2.796 154 Y HA -0.455 4.095 4.550 -0.000 0.000 0.472 154 Y C 1.813 177.636 175.900 -0.130 0.000 1.126 154 Y CA 2.124 60.149 58.100 -0.123 0.000 2.780 154 Y CB -1.432 36.955 38.460 -0.122 0.000 1.152 154 Y HN 0.813 nan 8.280 nan 0.000 0.616 155 G N -0.122 108.682 108.800 0.006 0.000 2.813 155 G HA2 0.197 4.157 3.960 -0.000 0.000 0.209 155 G HA3 0.197 4.157 3.960 -0.000 0.000 0.209 155 G C 0.214 175.144 174.900 0.051 0.000 1.150 155 G CA 0.748 45.781 45.100 -0.112 0.000 0.785 155 G HN 0.286 nan 8.290 nan 0.000 0.535 156 S N 0.078 115.832 115.700 0.091 0.000 2.632 156 S HA 0.397 4.867 4.470 -0.000 0.000 0.271 156 S C 0.225 174.859 174.600 0.056 0.000 1.260 156 S CA -0.507 57.751 58.200 0.097 0.000 1.010 156 S CB 1.495 64.760 63.200 0.109 0.000 0.965 156 S HN 0.426 nan 8.310 nan 0.000 0.534 157 Q N 0.156 119.989 119.800 0.056 0.000 2.171 157 Q HA 0.667 5.007 4.340 -0.000 0.000 0.217 157 Q C 0.565 176.599 176.000 0.057 0.000 0.995 157 Q CA -0.360 55.469 55.803 0.044 0.000 0.979 157 Q CB 0.799 29.561 28.738 0.039 0.000 1.152 157 Q HN 0.964 nan 8.270 nan 0.000 0.525 158 G N 0.520 109.352 108.800 0.053 0.000 2.566 158 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.599 158 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.599 158 G C -1.653 173.294 174.900 0.078 0.000 1.292 158 G CA -0.874 44.266 45.100 0.067 0.000 0.922 158 G HN 0.547 nan 8.290 nan 0.000 0.514 159 D N -0.128 120.326 120.400 0.089 0.000 2.198 159 D HA 0.470 5.110 4.640 -0.000 0.000 0.245 159 D C -0.341 176.053 176.300 0.156 0.000 1.079 159 D CA 0.016 54.076 54.000 0.100 0.000 0.854 159 D CB 1.404 42.245 40.800 0.069 0.000 1.148 159 D HN 0.505 nan 8.370 nan 0.000 0.456 160 Y N 1.960 122.281 120.300 0.036 0.000 2.336 160 Y HA 0.375 4.925 4.550 -0.000 0.000 0.335 160 Y C -0.807 175.134 175.900 0.069 0.000 1.046 160 Y CA -0.417 57.712 58.100 0.049 0.000 1.198 160 Y CB 0.750 39.219 38.460 0.016 0.000 1.182 160 Y HN 0.061 nan 8.280 nan 0.000 0.502 161 V N 8.322 127.917 119.914 -0.532 0.000 2.444 161 V HA 0.170 4.290 4.120 -0.000 0.000 0.294 161 V C -0.097 175.561 176.094 -0.726 0.000 1.022 161 V CA -1.034 60.996 62.300 -0.450 0.000 0.850 161 V CB 1.250 33.007 31.823 -0.110 0.000 0.992 161 V HN 0.896 nan 8.190 nan 0.000 0.426 162 M N 5.571 124.764 119.600 -0.679 0.000 2.260 162 M HA 0.152 4.632 4.480 -0.000 0.000 0.348 162 M C 1.010 177.202 176.300 -0.180 0.000 1.342 162 M CA 0.973 55.986 55.300 -0.478 0.000 1.040 162 M CB -0.328 31.751 32.600 -0.870 0.000 1.810 162 M HN 1.166 nan 8.290 nan 0.000 0.453 163 T N 2.427 116.938 114.554 -0.072 0.000 3.473 163 T HA -0.262 4.088 4.350 -0.000 0.000 0.403 163 T C 0.155 174.879 174.700 0.040 0.000 0.768 163 T CA 0.987 62.867 62.100 -0.367 0.000 2.009 163 T CB -1.609 67.001 68.868 -0.430 0.000 1.715 163 T HN 0.985 nan 8.240 nan 0.000 0.666 164 R N 1.692 122.301 120.500 0.182 0.000 2.501 164 R HA 0.121 4.461 4.340 -0.000 0.000 0.319 164 R C -2.046 174.409 176.300 0.258 0.000 0.913 164 R CA -0.929 55.289 56.100 0.197 0.000 1.104 164 R CB 0.200 30.620 30.300 0.201 0.000 0.901 164 R HN 0.350 nan 8.270 nan 0.000 0.407 165 P HA 0.113 nan 4.420 nan 0.000 0.272 165 P C -2.445 174.925 177.300 0.116 0.000 1.223 165 P CA -1.186 61.984 63.100 0.117 0.000 0.784 165 P CB 0.347 32.051 31.700 0.007 0.000 0.923 166 P HA 0.028 nan 4.420 nan 0.000 0.273 166 P C -0.327 177.034 177.300 0.101 0.000 1.250 166 P CA -0.017 63.146 63.100 0.104 0.000 0.793 166 P CB 0.153 31.906 31.700 0.089 0.000 1.011 167 H N -0.554 118.534 119.070 0.031 0.000 3.034 167 H HA 0.375 4.931 4.556 -0.000 0.000 0.324 167 H C 0.852 176.187 175.328 0.012 0.000 1.015 167 H CA 2.338 58.398 56.048 0.019 0.000 1.429 167 H CB -0.491 29.278 29.762 0.011 0.000 1.429 167 H HN 0.777 nan 8.280 nan 0.000 0.585 168 G N 3.764 112.278 108.800 -0.476 0.000 2.441 168 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.222 168 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.222 168 G C -1.997 172.755 174.900 -0.247 0.000 1.254 168 G CA -0.300 44.598 45.100 -0.336 0.000 0.959 168 G HN 0.482 nan 8.290 nan 0.000 0.474 169 P HA 0.074 nan 4.420 nan 0.000 0.218 169 P C 1.663 178.914 177.300 -0.083 0.000 1.149 169 P CA 0.995 64.032 63.100 -0.105 0.000 0.817 169 P CB 0.112 31.762 31.700 -0.082 0.000 0.785 170 L N -1.708 119.465 121.223 -0.084 0.000 2.592 170 L HA 0.197 4.537 4.340 -0.000 0.000 0.227 170 L C 0.666 177.520 176.870 -0.027 0.000 1.127 170 L CA 0.189 54.996 54.840 -0.055 0.000 0.884 170 L CB -0.463 41.536 42.059 -0.100 0.000 1.065 170 L HN 0.004 nan 8.230 nan 0.000 0.457 171 N N 0.081 118.755 118.700 -0.045 0.000 2.969 171 N HA 0.129 4.869 4.740 -0.000 0.000 0.230 171 N C -2.449 173.040 175.510 -0.035 0.000 1.397 171 N CA -1.039 52.010 53.050 -0.002 0.000 0.762 171 N CB 1.276 39.791 38.487 0.046 0.000 1.495 171 N HN -0.261 nan 8.380 nan 0.000 0.583 172 P HA 0.073 nan 4.420 nan 0.000 0.253 172 P C 0.428 177.801 177.300 0.123 0.000 1.260 172 P CA 0.236 63.327 63.100 -0.016 0.000 0.800 172 P CB -0.135 31.556 31.700 -0.015 0.000 1.162 173 T N -2.344 112.295 114.554 0.141 0.000 2.729 173 T HA 0.190 4.540 4.350 -0.000 0.000 0.298 173 T C 1.235 176.025 174.700 0.150 0.000 1.013 173 T CA -0.334 61.842 62.100 0.127 0.000 0.957 173 T CB 0.833 69.756 68.868 0.092 0.000 1.130 173 T HN -0.172 nan 8.240 nan 0.000 0.526 174 K N 0.540 120.975 120.400 0.058 0.000 2.426 174 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 174 K C 1.096 177.678 176.600 -0.030 0.000 1.028 174 K CA 0.382 56.655 56.287 -0.023 0.000 1.047 174 K CB -0.118 32.367 32.500 -0.026 0.000 0.821 174 K HN 0.908 nan 8.250 nan 0.000 0.513 175 T N -0.551 114.024 114.554 0.034 0.000 2.916 175 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 175 T C -0.750 174.002 174.700 0.087 0.000 1.064 175 T CA -0.851 61.277 62.100 0.047 0.000 1.011 175 T CB 2.649 71.552 68.868 0.058 0.000 1.152 175 T HN 0.065 nan 8.240 nan 0.000 0.510 176 D N -0.658 119.798 120.400 0.093 0.000 2.970 176 D HA 0.239 4.879 4.640 -0.000 0.000 0.344 176 D C 0.473 176.848 176.300 0.125 0.000 1.365 176 D CA -0.628 53.443 54.000 0.119 0.000 0.910 176 D CB 0.006 40.881 40.800 0.124 0.000 1.445 176 D HN 0.369 nan 8.370 nan 0.000 0.532 177 E N -0.569 119.710 120.200 0.133 0.000 2.274 177 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 177 E C 1.438 178.092 176.600 0.091 0.000 0.996 177 E CA 1.166 57.640 56.400 0.124 0.000 0.840 177 E CB -0.306 29.459 29.700 0.109 0.000 0.772 177 E HN 0.558 nan 8.360 nan 0.000 0.491 178 T N 0.601 115.205 114.554 0.084 0.000 2.851 178 T HA -0.098 4.252 4.350 -0.000 0.000 0.262 178 T C 2.135 176.932 174.700 0.161 0.000 1.043 178 T CA 1.848 64.011 62.100 0.104 0.000 1.140 178 T CB -0.242 68.678 68.868 0.086 0.000 0.872 178 T HN 0.395 nan 8.240 nan 0.000 0.446 179 T N 0.675 115.304 114.554 0.126 0.000 2.857 179 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 179 T C 1.577 176.399 174.700 0.204 0.000 1.048 179 T CA 1.037 63.220 62.100 0.138 0.000 1.139 179 T CB -0.433 68.458 68.868 0.038 0.000 0.874 179 T HN 0.119 nan 8.240 nan 0.000 0.455 180 D N 2.057 122.553 120.400 0.160 0.000 2.144 180 D HA 0.029 4.669 4.640 -0.000 0.000 0.199 180 D C 2.405 178.802 176.300 0.161 0.000 0.984 180 D CA 1.466 55.558 54.000 0.153 0.000 0.834 180 D CB -0.542 40.338 40.800 0.134 0.000 0.955 180 D HN 0.597 nan 8.370 nan 0.000 0.465 181 A N -0.330 122.588 122.820 0.164 0.000 1.968 181 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 181 A C 2.122 179.800 177.584 0.158 0.000 1.169 181 A CA 0.798 52.913 52.037 0.130 0.000 0.638 181 A CB -0.971 18.093 19.000 0.106 0.000 0.812 181 A HN 0.343 nan 8.150 nan 0.000 0.446 182 W N 1.152 122.498 121.300 0.076 0.000 2.379 182 W HA -0.136 4.524 4.660 -0.000 0.000 0.307 182 W C 1.362 177.951 176.519 0.118 0.000 1.200 182 W CA 1.752 59.174 57.345 0.127 0.000 1.297 182 W CB 0.115 29.650 29.460 0.126 0.000 1.140 182 W HN 0.357 nan 8.180 nan 0.000 0.507 183 D N -0.840 119.854 120.400 0.490 0.000 2.178 183 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 183 D C 2.089 178.495 176.300 0.176 0.000 0.980 183 D CA 1.966 56.182 54.000 0.361 0.000 0.842 183 D CB -0.798 40.170 40.800 0.279 0.000 0.948 183 D HN 0.151 nan 8.370 nan 0.000 0.472 184 T N 0.482 115.098 114.554 0.105 0.000 2.701 184 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 184 T C 2.268 176.970 174.700 0.003 0.000 1.040 184 T CA 0.651 62.783 62.100 0.054 0.000 1.147 184 T CB -0.317 68.566 68.868 0.025 0.000 0.865 184 T HN -0.027 nan 8.240 nan 0.000 0.426 185 V N 1.832 121.656 119.914 -0.149 0.000 2.490 185 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 185 V C 2.331 178.080 176.094 -0.575 0.000 1.061 185 V CA 1.803 63.892 62.300 -0.352 0.000 1.064 185 V CB -0.576 30.962 31.823 -0.474 0.000 0.670 185 V HN 0.462 nan 8.190 nan 0.000 0.461 186 D N -1.339 118.695 120.400 -0.609 0.000 2.117 186 D HA -0.226 4.414 4.640 -0.000 0.000 0.198 186 D C 1.865 178.187 176.300 0.037 0.000 0.982 186 D CA 1.294 55.056 54.000 -0.395 0.000 0.828 186 D CB -0.183 40.536 40.800 -0.134 0.000 0.967 186 D HN 0.547 nan 8.370 nan 0.000 0.464 187 W N 0.674 121.931 121.300 -0.071 0.000 2.381 187 W HA -0.072 4.588 4.660 -0.000 0.000 0.301 187 W C 1.906 178.416 176.519 -0.015 0.000 1.205 187 W CA 1.125 58.467 57.345 -0.005 0.000 1.285 187 W CB -0.242 29.214 29.460 -0.007 0.000 1.133 187 W HN -0.011 nan 8.180 nan 0.000 0.521 188 L N 0.291 121.671 121.223 0.263 0.000 1.989 188 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 188 L C 2.579 179.369 176.870 -0.133 0.000 1.071 188 L CA 1.878 56.784 54.840 0.109 0.000 0.749 188 L CB -1.585 40.526 42.059 0.087 0.000 0.890 188 L HN 0.074 nan 8.230 nan 0.000 0.431 189 V N -3.601 116.208 119.914 -0.176 0.000 2.720 189 V HA -0.243 3.877 4.120 -0.000 0.000 0.256 189 V C 1.635 177.492 176.094 -0.395 0.000 1.082 189 V CA 1.695 63.830 62.300 -0.274 0.000 1.101 189 V CB -1.018 30.618 31.823 -0.311 0.000 0.693 189 V HN 0.485 nan 8.190 nan 0.000 0.479 190 H N 0.140 119.049 119.070 -0.269 0.000 2.622 190 H HA 0.366 4.922 4.556 -0.000 0.000 0.269 190 H C 1.089 176.163 175.328 -0.424 0.000 0.977 190 H CA 0.749 56.624 56.048 -0.288 0.000 1.179 190 H CB 0.215 29.828 29.762 -0.249 0.000 1.458 190 H HN 0.537 nan 8.280 nan 0.000 0.531 191 N N -0.471 117.918 118.700 -0.518 0.000 2.184 191 N HA 0.154 4.894 4.740 -0.000 0.000 0.234 191 N C -1.156 174.099 175.510 -0.426 0.000 1.282 191 N CA 0.085 52.721 53.050 -0.689 0.000 0.877 191 N CB 2.221 39.688 38.487 -1.699 0.000 1.184 191 N HN -0.106 nan 8.380 nan 0.000 0.510 192 V N 1.935 121.697 119.914 -0.254 0.000 2.315 192 V HA 0.271 4.391 4.120 -0.000 0.000 0.265 192 V C -1.841 174.190 176.094 -0.106 0.000 1.019 192 V CA -1.185 61.044 62.300 -0.119 0.000 0.824 192 V CB 1.502 33.292 31.823 -0.054 0.000 1.072 192 V HN -0.029 nan 8.190 nan 0.000 0.448 193 P HA -0.102 nan 4.420 nan 0.000 0.219 193 P C 1.119 178.381 177.300 -0.063 0.000 1.146 193 P CA 0.992 64.045 63.100 -0.079 0.000 0.808 193 P CB 0.455 32.118 31.700 -0.062 0.000 0.779 194 E N -0.472 119.699 120.200 -0.048 0.000 2.427 194 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 194 E C 0.881 177.448 176.600 -0.054 0.000 1.028 194 E CA 0.278 56.654 56.400 -0.040 0.000 0.864 194 E CB -0.395 29.294 29.700 -0.018 0.000 0.813 194 E HN 0.319 nan 8.360 nan 0.000 0.514 195 S N 0.771 116.430 115.700 -0.068 0.000 2.687 195 S HA 0.178 4.648 4.470 -0.000 0.000 0.283 195 S C 0.760 175.300 174.600 -0.100 0.000 1.170 195 S CA -0.735 57.413 58.200 -0.086 0.000 1.008 195 S CB 1.028 64.175 63.200 -0.088 0.000 1.026 195 S HN 0.143 nan 8.310 nan 0.000 0.541 196 N N 0.241 118.874 118.700 -0.111 0.000 2.336 196 N HA 0.190 4.930 4.740 -0.000 0.000 0.189 196 N C 1.183 176.622 175.510 -0.119 0.000 1.113 196 N CA 0.467 53.451 53.050 -0.110 0.000 0.858 196 N CB -0.456 37.964 38.487 -0.112 0.000 0.970 196 N HN 1.385 nan 8.380 nan 0.000 0.471 197 G N 0.175 108.897 108.800 -0.130 0.000 2.143 197 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.249 197 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.249 197 G C -0.446 174.377 174.900 -0.128 0.000 0.981 197 G CA -0.103 44.909 45.100 -0.147 0.000 0.665 197 G HN 0.421 nan 8.290 nan 0.000 0.528 198 R N -0.080 120.350 120.500 -0.117 0.000 2.338 198 R HA 0.655 4.995 4.340 -0.000 0.000 0.317 198 R C -0.583 175.655 176.300 -0.104 0.000 0.968 198 R CA -0.604 55.432 56.100 -0.106 0.000 0.849 198 R CB 2.241 32.480 30.300 -0.103 0.000 1.128 198 R HN 0.165 nan 8.270 nan 0.000 0.448 199 V N 1.161 121.011 119.914 -0.106 0.000 2.604 199 V HA 0.656 4.776 4.120 -0.000 0.000 0.305 199 V C 0.366 176.387 176.094 -0.121 0.000 1.043 199 V CA -0.885 61.356 62.300 -0.097 0.000 0.888 199 V CB 2.234 33.993 31.823 -0.108 0.000 0.995 199 V HN 0.927 nan 8.190 nan 0.000 0.429 200 G N 3.587 112.332 108.800 -0.091 0.000 2.461 200 G HA2 0.722 4.682 3.960 -0.000 0.000 0.323 200 G HA3 0.722 4.682 3.960 -0.000 0.000 0.323 200 G C -0.983 173.934 174.900 0.029 0.000 1.229 200 G CA -0.664 44.346 45.100 -0.150 0.000 0.941 200 G HN 0.519 nan 8.290 nan 0.000 0.477 201 M N 1.288 120.924 119.600 0.061 0.000 2.436 201 M HA 0.590 5.070 4.480 -0.000 0.000 0.331 201 M C -0.130 176.286 176.300 0.193 0.000 1.135 201 M CA -0.522 54.827 55.300 0.081 0.000 0.987 201 M CB 2.667 35.279 32.600 0.019 0.000 1.687 201 M HN 0.588 nan 8.290 nan 0.000 0.445 202 T N 0.926 115.540 114.554 0.101 0.000 2.762 202 T HA 0.888 5.238 4.350 -0.000 0.000 0.301 202 T C -1.343 173.395 174.700 0.063 0.000 1.299 202 T CA 0.009 62.171 62.100 0.104 0.000 1.005 202 T CB 2.119 71.073 68.868 0.145 0.000 1.377 202 T HN 1.015 nan 8.240 nan 0.000 0.504 203 G N 0.813 109.663 108.800 0.084 0.000 2.329 203 G HA2 0.419 4.378 3.960 -0.000 0.000 0.308 203 G HA3 0.419 4.378 3.960 -0.000 0.000 0.308 203 G C -1.250 173.734 174.900 0.140 0.000 1.587 203 G CA 0.067 45.244 45.100 0.128 0.000 0.978 203 G HN 0.784 nan 8.290 nan 0.000 0.685 204 S N -0.092 115.709 115.700 0.167 0.000 2.578 204 S HA 0.857 5.327 4.470 -0.000 0.000 0.301 204 S C 1.037 175.794 174.600 0.263 0.000 1.091 204 S CA 1.311 59.597 58.200 0.144 0.000 1.032 204 S CB 1.459 64.679 63.200 0.033 0.000 1.064 204 S HN 2.487 nan 8.310 nan 0.000 0.508 205 S N 2.021 117.895 115.700 0.290 0.000 4.140 205 S HA -0.328 4.142 4.470 -0.000 0.000 0.618 205 S C 0.879 175.752 174.600 0.456 0.000 1.896 205 S CA 1.570 60.040 58.200 0.450 0.000 4.240 205 S CB -1.945 61.609 63.200 0.589 0.000 0.208 205 S HN 1.002 nan 8.310 nan 0.000 0.487 206 Y N 2.261 122.814 120.300 0.421 0.000 2.352 206 Y HA 0.054 4.604 4.550 -0.000 0.000 0.292 206 Y C 2.414 178.548 175.900 0.391 0.000 1.136 206 Y CA 1.970 60.294 58.100 0.373 0.000 1.227 206 Y CB -0.118 38.516 38.460 0.290 0.000 0.991 206 Y HN 0.586 nan 8.280 nan 0.000 0.545 207 E N -0.970 119.574 120.200 0.572 0.000 2.347 207 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 207 E C 2.170 178.960 176.600 0.315 0.000 1.008 207 E CA 0.658 57.307 56.400 0.415 0.000 0.852 207 E CB -0.130 29.787 29.700 0.362 0.000 0.783 207 E HN 0.600 nan 8.360 nan 0.000 0.505 208 G N 0.677 109.669 108.800 0.320 0.000 2.492 208 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.214 208 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.214 208 G C 1.276 176.336 174.900 0.267 0.000 1.147 208 G CA -0.131 45.117 45.100 0.246 0.000 0.809 208 G HN 0.256 nan 8.290 nan 0.000 0.533 209 F N 3.121 123.168 119.950 0.163 0.000 2.134 209 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 209 F C 2.844 178.722 175.800 0.130 0.000 1.097 209 F CA 2.317 60.381 58.000 0.107 0.000 1.264 209 F CB -0.521 38.441 39.000 -0.063 0.000 1.001 209 F HN 0.169 nan 8.300 nan 0.000 0.479 210 T N -2.114 112.510 114.554 0.116 0.000 2.962 210 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 210 T C 1.917 176.611 174.700 -0.009 0.000 1.088 210 T CA 1.279 63.393 62.100 0.023 0.000 1.127 210 T CB -1.124 67.883 68.868 0.233 0.000 0.883 210 T HN 0.181 nan 8.240 nan 0.000 0.493 211 V N 1.171 121.103 119.914 0.030 0.000 2.323 211 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 211 V C 2.911 178.993 176.094 -0.020 0.000 1.041 211 V CA 1.149 63.454 62.300 0.007 0.000 1.025 211 V CB -0.642 31.183 31.823 0.004 0.000 0.656 211 V HN 0.372 nan 8.190 nan 0.000 0.451 212 V N -0.327 119.585 119.914 -0.003 0.000 2.332 212 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 212 V C 2.544 178.627 176.094 -0.018 0.000 1.055 212 V CA 1.881 64.217 62.300 0.060 0.000 1.038 212 V CB -0.641 31.296 31.823 0.189 0.000 0.651 212 V HN 0.416 nan 8.190 nan 0.000 0.450 213 M N -0.289 119.200 119.600 -0.184 0.000 2.279 213 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 213 M C 2.300 178.580 176.300 -0.033 0.000 1.062 213 M CA 1.990 57.184 55.300 -0.176 0.000 1.099 213 M CB -1.315 31.069 32.600 -0.360 0.000 1.394 213 M HN 0.438 nan 8.290 nan 0.000 0.426 214 A N -0.119 122.696 122.820 -0.007 0.000 1.968 214 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 214 A C 2.129 179.754 177.584 0.068 0.000 1.169 214 A CA 0.763 52.830 52.037 0.050 0.000 0.638 214 A CB -0.677 18.346 19.000 0.039 0.000 0.812 214 A HN 0.468 nan 8.150 nan 0.000 0.446 215 L N -0.153 121.101 121.223 0.052 0.000 2.551 215 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 215 L C 1.958 178.885 176.870 0.094 0.000 1.153 215 L CA 0.114 54.997 54.840 0.072 0.000 0.851 215 L CB -0.327 41.781 42.059 0.081 0.000 0.959 215 L HN 0.379 nan 8.230 nan 0.000 0.451 216 L N -0.691 120.585 121.223 0.089 0.000 2.109 216 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 216 L C 0.442 177.367 176.870 0.092 0.000 1.086 216 L CA 0.894 55.787 54.840 0.089 0.000 0.760 216 L CB -0.029 42.075 42.059 0.075 0.000 0.910 216 L HN 0.212 nan 8.230 nan 0.000 0.437 217 D N -0.468 120.001 120.400 0.114 0.000 2.752 217 D HA 0.172 4.812 4.640 -0.000 0.000 0.242 217 D C -2.599 173.852 176.300 0.252 0.000 1.295 217 D CA -1.422 52.664 54.000 0.143 0.000 0.846 217 D CB 1.032 41.891 40.800 0.098 0.000 1.454 217 D HN -0.142 nan 8.370 nan 0.000 0.535 218 P HA 0.130 nan 4.420 nan 0.000 0.277 218 P C -0.050 177.374 177.300 0.207 0.000 1.240 218 P CA -0.289 62.924 63.100 0.188 0.000 0.798 218 P CB 0.694 32.444 31.700 0.083 0.000 0.979 219 H N 4.221 123.236 119.070 -0.092 0.000 2.707 219 H HA 0.056 4.612 4.556 -0.000 0.000 0.359 219 H C -1.202 174.020 175.328 -0.178 0.000 1.113 219 H CA -1.132 54.662 56.048 -0.422 0.000 1.422 219 H CB 0.849 30.147 29.762 -0.775 0.000 1.443 219 H HN 0.247 nan 8.280 nan 0.000 0.591 220 P HA -0.102 nan 4.420 nan 0.000 0.222 220 P C 0.805 178.091 177.300 -0.024 0.000 1.147 220 P CA 1.260 64.275 63.100 -0.141 0.000 0.790 220 P CB 0.043 31.631 31.700 -0.187 0.000 0.780 221 A N -0.660 122.258 122.820 0.163 0.000 2.169 221 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 221 A C 1.152 178.721 177.584 -0.026 0.000 1.153 221 A CA 0.049 52.130 52.037 0.073 0.000 0.756 221 A CB -0.935 18.100 19.000 0.058 0.000 0.813 221 A HN 0.184 nan 8.150 nan 0.000 0.471 222 L N 0.721 121.930 121.223 -0.023 0.000 2.363 222 L HA 0.245 4.585 4.340 -0.000 0.000 0.286 222 L C 0.654 177.457 176.870 -0.110 0.000 1.106 222 L CA 0.114 54.908 54.840 -0.077 0.000 0.859 222 L CB 0.236 42.263 42.059 -0.053 0.000 1.223 222 L HN 0.005 nan 8.230 nan 0.000 0.446 223 K N 3.655 123.963 120.400 -0.154 0.000 2.379 223 K HA 0.307 4.627 4.320 -0.000 0.000 0.194 223 K C -0.182 176.213 176.600 -0.341 0.000 1.031 223 K CA 0.290 56.462 56.287 -0.193 0.000 1.037 223 K CB 0.504 32.928 32.500 -0.127 0.000 0.824 223 K HN 0.399 nan 8.250 nan 0.000 0.516 224 V N -0.640 119.042 119.914 -0.387 0.000 3.167 224 V HA 0.660 4.780 4.120 -0.000 0.000 0.293 224 V C -2.077 173.786 176.094 -0.385 0.000 1.379 224 V CA -0.774 61.215 62.300 -0.519 0.000 1.019 224 V CB 2.205 33.542 31.823 -0.810 0.000 1.115 224 V HN 0.140 nan 8.190 nan 0.000 0.442 225 A N 3.715 126.453 122.820 -0.136 0.000 2.515 225 A HA 1.025 5.345 4.320 -0.000 0.000 0.298 225 A C -0.565 177.142 177.584 0.206 0.000 1.059 225 A CA -0.120 51.945 52.037 0.046 0.000 0.698 225 A CB 2.087 21.040 19.000 -0.079 0.000 1.289 225 A HN 2.288 nan 8.150 nan 0.000 0.404 226 A N 2.588 125.534 122.820 0.210 0.000 2.984 226 A HA 0.712 5.032 4.320 -0.000 0.000 0.320 226 A C -3.117 174.391 177.584 -0.126 0.000 1.142 226 A CA -1.323 50.710 52.037 -0.008 0.000 0.772 226 A CB 0.399 19.332 19.000 -0.112 0.000 1.195 226 A HN 0.413 nan 8.150 nan 0.000 0.459 227 P HA 0.333 nan 4.420 nan 0.000 0.276 227 P C -0.505 176.790 177.300 -0.008 0.000 1.243 227 P CA 0.370 63.395 63.100 -0.126 0.000 0.768 227 P CB 0.796 32.342 31.700 -0.257 0.000 0.856 228 E N 1.388 121.617 120.200 0.049 0.000 2.158 228 E HA 0.275 4.625 4.350 -0.000 0.000 0.271 228 E C -0.131 176.546 176.600 0.128 0.000 0.911 228 E CA -0.736 55.694 56.400 0.050 0.000 0.767 228 E CB 0.714 30.405 29.700 -0.015 0.000 1.120 228 E HN 0.241 nan 8.360 nan 0.000 0.405 229 S N 2.575 118.371 115.700 0.160 0.000 3.317 229 S HA -0.140 4.330 4.470 -0.000 0.000 0.358 229 S C -2.152 172.629 174.600 0.301 0.000 0.945 229 S CA 0.190 58.530 58.200 0.232 0.000 1.279 229 S CB -1.500 61.818 63.200 0.197 0.000 0.905 229 S HN 0.460 nan 8.310 nan 0.000 0.507 230 P HA 0.265 nan 4.420 nan 0.000 0.276 230 P C -0.140 177.340 177.300 0.299 0.000 1.244 230 P CA -0.635 62.664 63.100 0.332 0.000 0.801 230 P CB 0.557 32.490 31.700 0.388 0.000 1.006 231 M N 1.976 121.741 119.600 0.276 0.000 2.135 231 M HA 0.116 4.596 4.480 -0.000 0.000 0.345 231 M C 0.762 177.233 176.300 0.283 0.000 1.340 231 M CA -0.226 55.168 55.300 0.156 0.000 1.162 231 M CB 0.655 33.229 32.600 -0.044 0.000 1.570 231 M HN 0.104 nan 8.290 nan 0.000 0.454 232 V N 0.361 120.428 119.914 0.255 0.000 2.854 232 V HA 0.138 4.258 4.120 -0.000 0.000 0.236 232 V C 0.167 176.416 176.094 0.259 0.000 1.157 232 V CA 0.801 63.282 62.300 0.301 0.000 1.187 232 V CB 0.487 32.499 31.823 0.315 0.000 0.949 232 V HN 0.730 nan 8.190 nan 0.000 0.488 233 D N 0.088 120.594 120.400 0.176 0.000 2.389 233 D HA 0.330 4.970 4.640 -0.000 0.000 0.256 233 D C 0.991 177.253 176.300 -0.062 0.000 1.239 233 D CA 0.335 54.379 54.000 0.073 0.000 0.925 233 D CB 1.481 42.230 40.800 -0.086 0.000 1.145 233 D HN 0.185 nan 8.370 nan 0.000 0.542 234 G N 1.703 110.551 108.800 0.081 0.000 2.559 234 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 234 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 234 G C 1.083 175.970 174.900 -0.021 0.000 1.126 234 G CA 0.183 45.250 45.100 -0.054 0.000 0.778 234 G HN 0.522 nan 8.290 nan 0.000 0.543 235 W N -0.026 121.106 121.300 -0.280 0.000 2.630 235 W HA 0.244 4.904 4.660 -0.000 0.000 0.275 235 W C 2.448 178.587 176.519 -0.634 0.000 1.192 235 W CA 0.305 57.388 57.345 -0.436 0.000 1.410 235 W CB 0.196 29.297 29.460 -0.599 0.000 1.075 235 W HN -0.032 nan 8.180 nan 0.000 0.581 236 M N -0.394 118.847 119.600 -0.600 0.000 2.086 236 M HA 0.091 4.570 4.480 -0.000 0.000 0.261 236 M C 1.521 176.895 176.300 -1.544 0.000 1.067 236 M CA 2.009 56.512 55.300 -1.328 0.000 1.116 236 M CB -1.403 29.976 32.600 -2.034 0.000 1.348 236 M HN 0.268 nan 8.290 nan 0.000 0.407 237 G N -1.264 106.794 108.800 -1.236 0.000 4.983 237 G HA2 0.094 4.054 3.960 -0.000 0.000 0.209 237 G HA3 0.094 4.054 3.960 -0.000 0.000 0.209 237 G C -0.108 174.500 174.900 -0.487 0.000 0.863 237 G CA -0.373 44.130 45.100 -0.996 0.000 0.793 237 G HN 0.197 nan 8.290 nan 0.000 0.341 238 D N 0.209 120.441 120.400 -0.280 0.000 3.009 238 D HA 0.143 4.783 4.640 -0.000 0.000 0.243 238 D C 0.977 177.177 176.300 -0.165 0.000 1.204 238 D CA -0.126 53.798 54.000 -0.126 0.000 1.171 238 D CB 0.610 41.332 40.800 -0.130 0.000 0.954 238 D HN -0.079 nan 8.370 nan 0.000 0.241 239 D N -0.622 119.493 120.400 -0.475 0.000 2.183 239 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 239 D C 2.174 178.153 176.300 -0.533 0.000 0.962 239 D CA 0.633 54.226 54.000 -0.678 0.000 0.849 239 D CB 0.232 40.305 40.800 -1.212 0.000 0.978 239 D HN 0.381 nan 8.370 nan 0.000 0.488 240 W N -0.080 121.140 121.300 -0.133 0.000 2.525 240 W HA 0.127 4.787 4.660 -0.000 0.000 0.288 240 W C 0.525 176.661 176.519 -0.638 0.000 1.200 240 W CA -0.466 56.703 57.345 -0.294 0.000 1.349 240 W CB 0.119 29.577 29.460 -0.005 0.000 1.102 240 W HN -0.233 nan 8.180 nan 0.000 0.558 241 F N -1.308 118.605 119.950 -0.062 0.000 2.613 241 F HA 0.402 4.928 4.527 -0.000 0.000 0.314 241 F C -0.359 175.292 175.800 -0.248 0.000 1.075 241 F CA -1.304 56.541 58.000 -0.259 0.000 0.945 241 F CB 1.277 39.778 39.000 -0.832 0.000 1.310 241 F HN -0.282 nan 8.300 nan 0.000 0.467 242 H N 1.936 120.886 119.070 -0.201 0.000 2.887 242 H HA 0.216 4.772 4.556 -0.000 0.000 0.300 242 H C -1.145 173.913 175.328 -0.450 0.000 1.038 242 H CA -0.843 55.012 56.048 -0.322 0.000 1.352 242 H CB 0.663 30.407 29.762 -0.030 0.000 1.473 242 H HN 0.678 nan 8.280 nan 0.000 0.503 243 Y N 1.639 121.543 120.300 -0.660 0.000 3.168 243 Y HA -0.298 4.252 4.550 -0.000 0.000 0.207 243 Y C 1.547 176.867 175.900 -0.967 0.000 1.280 243 Y CA 1.355 58.969 58.100 -0.809 0.000 1.235 243 Y CB -1.803 36.320 38.460 -0.561 0.000 1.370 243 Y HN 1.117 nan 8.280 nan 0.000 0.537 244 G N -2.001 105.845 108.800 -1.591 0.000 2.225 244 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.254 244 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.254 244 G C 0.374 175.159 174.900 -0.191 0.000 0.988 244 G CA -0.081 44.289 45.100 -1.217 0.000 0.625 244 G HN 1.621 nan 8.290 nan 0.000 0.527 245 A N 0.355 123.124 122.820 -0.086 0.000 2.302 245 A HA 0.651 4.971 4.320 -0.000 0.000 0.295 245 A C -0.111 177.679 177.584 0.343 0.000 1.235 245 A CA -0.367 51.751 52.037 0.135 0.000 0.876 245 A CB 0.189 19.140 19.000 -0.082 0.000 1.133 245 A HN 1.252 nan 8.150 nan 0.000 0.533 246 F N 3.054 123.115 119.950 0.185 0.000 2.495 246 F HA 0.355 4.882 4.527 -0.000 0.000 0.365 246 F C 0.763 176.460 175.800 -0.171 0.000 1.090 246 F CA -0.129 57.802 58.000 -0.116 0.000 1.235 246 F CB 0.631 39.611 39.000 -0.032 0.000 1.119 246 F HN 0.568 nan 8.300 nan 0.000 0.562 247 R N 5.930 125.677 120.500 -1.256 0.000 2.196 247 R HA 0.129 4.469 4.340 -0.000 0.000 0.340 247 R C 0.905 176.157 176.300 -1.747 0.000 1.043 247 R CA -0.260 55.052 56.100 -1.314 0.000 0.883 247 R CB 0.752 30.469 30.300 -0.972 0.000 1.078 247 R HN 0.774 nan 8.270 nan 0.000 0.462 248 Q N 1.402 120.357 119.800 -1.408 0.000 2.436 248 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 248 Q C 1.706 176.768 176.000 -1.562 0.000 0.965 248 Q CA 0.984 55.978 55.803 -1.349 0.000 0.910 248 Q CB 0.314 28.366 28.738 -1.143 0.000 0.980 248 Q HN 0.871 nan 8.270 nan 0.000 0.491 249 G N 0.804 108.496 108.800 -1.847 0.000 2.598 249 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.215 249 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.215 249 G C 1.425 175.686 174.900 -1.065 0.000 1.131 249 G CA 0.611 44.562 45.100 -1.915 0.000 0.785 249 G HN 0.382 nan 8.290 nan 0.000 0.539 250 A N 0.657 122.859 122.820 -1.031 0.000 2.019 250 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 250 A C 1.992 178.929 177.584 -1.078 0.000 1.164 250 A CA 1.113 52.622 52.037 -0.881 0.000 0.644 250 A CB -0.454 18.071 19.000 -0.792 0.000 0.805 250 A HN 0.269 nan 8.150 nan 0.000 0.449 251 F N 0.696 120.270 119.950 -0.628 0.000 2.102 251 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 251 F C 2.130 177.779 175.800 -0.252 0.000 1.105 251 F CA 1.195 58.965 58.000 -0.385 0.000 1.239 251 F CB -0.822 38.120 39.000 -0.096 0.000 0.991 251 F HN 0.221 nan 8.300 nan 0.000 0.474 252 D N -1.239 119.131 120.400 -0.050 0.000 2.178 252 D HA -0.236 4.404 4.640 -0.000 0.000 0.201 252 D C 2.102 178.400 176.300 -0.003 0.000 0.980 252 D CA 1.145 55.132 54.000 -0.023 0.000 0.842 252 D CB -0.563 40.200 40.800 -0.061 0.000 0.948 252 D HN 0.357 nan 8.370 nan 0.000 0.472 253 Y N 0.326 120.523 120.300 -0.171 0.000 2.242 253 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 253 Y C 2.134 178.133 175.900 0.164 0.000 1.137 253 Y CA 1.379 59.467 58.100 -0.021 0.000 1.181 253 Y CB -0.390 38.055 38.460 -0.025 0.000 0.989 253 Y HN -0.099 nan 8.280 nan 0.000 0.527 254 F N -1.390 118.643 119.950 0.140 0.000 2.075 254 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 254 F C 2.269 178.035 175.800 -0.057 0.000 1.113 254 F CA 0.932 58.968 58.000 0.060 0.000 1.218 254 F CB -0.596 38.449 39.000 0.076 0.000 0.984 254 F HN -0.153 nan 8.300 nan 0.000 0.472 255 V N -0.949 119.001 119.914 0.061 0.000 2.515 255 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 255 V C 2.343 178.470 176.094 0.056 0.000 1.058 255 V CA 1.969 64.260 62.300 -0.016 0.000 1.064 255 V CB -0.612 31.171 31.823 -0.068 0.000 0.675 255 V HN 0.347 nan 8.190 nan 0.000 0.461 256 S N -1.083 114.621 115.700 0.008 0.000 2.406 256 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 256 S C 1.908 176.474 174.600 -0.058 0.000 1.020 256 S CA 1.117 59.304 58.200 -0.021 0.000 0.965 256 S CB -0.043 63.136 63.200 -0.036 0.000 0.798 256 S HN 0.588 nan 8.310 nan 0.000 0.488 257 Q N -0.544 119.187 119.800 -0.115 0.000 2.350 257 Q HA 0.342 4.682 4.340 -0.000 0.000 0.225 257 Q C 1.016 176.991 176.000 -0.041 0.000 0.878 257 Q CA 0.400 56.111 55.803 -0.153 0.000 0.935 257 Q CB 0.300 28.831 28.738 -0.346 0.000 1.099 257 Q HN 0.559 nan 8.270 nan 0.000 0.527 258 M N -0.582 119.098 119.600 0.132 0.000 2.412 258 M HA 0.131 4.611 4.480 -0.000 0.000 0.315 258 M C 0.931 177.385 176.300 0.255 0.000 1.092 258 M CA 0.118 55.564 55.300 0.243 0.000 0.974 258 M CB 0.813 33.644 32.600 0.385 0.000 1.437 258 M HN -0.132 nan 8.290 nan 0.000 0.524 259 T N 0.932 115.616 114.554 0.216 0.000 2.942 259 T HA 0.229 4.579 4.350 -0.000 0.000 0.265 259 T C 0.721 175.424 174.700 0.004 0.000 1.062 259 T CA 0.919 63.113 62.100 0.158 0.000 1.139 259 T CB 0.171 69.138 68.868 0.166 0.000 0.883 259 T HN 0.467 nan 8.240 nan 0.000 0.468 260 A N -0.115 122.677 122.820 -0.046 0.000 2.583 260 A HA 0.695 5.015 4.320 -0.000 0.000 0.289 260 A C 0.847 178.320 177.584 -0.186 0.000 1.151 260 A CA -0.691 51.284 52.037 -0.104 0.000 0.695 260 A CB 0.872 19.807 19.000 -0.108 0.000 1.290 260 A HN 0.044 nan 8.150 nan 0.000 0.419 261 R N -0.163 120.220 120.500 -0.195 0.000 2.081 261 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 261 R C 1.244 177.226 176.300 -0.529 0.000 1.131 261 R CA 2.188 58.129 56.100 -0.266 0.000 0.960 261 R CB -0.399 29.797 30.300 -0.174 0.000 0.856 261 R HN 0.864 nan 8.270 nan 0.000 0.436 262 G N -0.914 107.565 108.800 -0.534 0.000 2.975 262 G HA2 0.359 4.319 3.960 -0.000 0.000 0.159 262 G HA3 0.359 4.319 3.960 -0.000 0.000 0.159 262 G C -0.301 174.134 174.900 -0.777 0.000 1.525 262 G CA -0.179 44.378 45.100 -0.904 0.000 1.075 262 G HN 0.414 nan 8.290 nan 0.000 0.574 263 G N -1.411 107.224 108.800 -0.275 0.000 2.594 263 G HA2 0.513 4.473 3.960 -0.000 0.000 0.243 263 G HA3 0.513 4.473 3.960 -0.000 0.000 0.243 263 G C 0.126 174.991 174.900 -0.059 0.000 1.229 263 G CA 0.572 45.658 45.100 -0.023 0.000 0.843 263 G HN 0.910 nan 8.290 nan 0.000 0.578 264 G N -0.411 108.381 108.800 -0.013 0.000 3.176 264 G HA2 0.601 4.561 3.960 -0.000 0.000 0.272 264 G HA3 0.601 4.561 3.960 -0.000 0.000 0.272 264 G C -0.875 174.035 174.900 0.016 0.000 1.349 264 G CA -0.770 44.330 45.100 -0.001 0.000 0.953 264 G HN 0.603 nan 8.290 nan 0.000 0.559 265 N N -0.588 118.124 118.700 0.020 0.000 2.469 265 N HA 0.386 5.126 4.740 -0.000 0.000 0.286 265 N C -1.318 174.200 175.510 0.014 0.000 1.275 265 N CA -0.498 52.561 53.050 0.015 0.000 0.790 265 N CB 2.360 40.853 38.487 0.010 0.000 1.446 265 N HN 0.355 nan 8.380 nan 0.000 0.501 266 D N 0.396 120.801 120.400 0.009 0.000 2.411 266 D HA 0.363 5.003 4.640 -0.000 0.000 0.251 266 D C 0.158 176.460 176.300 0.003 0.000 1.201 266 D CA -0.038 53.968 54.000 0.009 0.000 0.996 266 D CB 0.973 41.779 40.800 0.010 0.000 1.101 266 D HN 0.300 nan 8.370 nan 0.000 0.504 267 I N 2.013 122.589 120.570 0.010 0.000 2.352 267 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 267 I C -1.908 174.199 176.117 -0.016 0.000 1.036 267 I CA -1.685 59.607 61.300 -0.014 0.000 1.336 267 I CB 0.795 38.801 38.000 0.009 0.000 1.407 267 I HN 0.049 nan 8.210 nan 0.000 0.497 268 P HA 0.121 nan 4.420 nan 0.000 0.265 268 P C -0.765 176.504 177.300 -0.052 0.000 1.193 268 P CA -0.101 62.973 63.100 -0.044 0.000 0.765 268 P CB 0.442 32.108 31.700 -0.057 0.000 0.823 269 R N 2.450 122.934 120.500 -0.027 0.000 2.664 269 R HA 0.338 4.678 4.340 -0.000 0.000 0.286 269 R C 1.057 177.343 176.300 -0.025 0.000 0.967 269 R CA -0.909 55.180 56.100 -0.017 0.000 0.933 269 R CB 1.519 31.827 30.300 0.014 0.000 1.146 269 R HN 0.347 nan 8.270 nan 0.000 0.468 270 R N 0.735 121.221 120.500 -0.024 0.000 2.052 270 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 270 R C 0.209 176.507 176.300 -0.003 0.000 1.145 270 R CA 1.573 57.661 56.100 -0.020 0.000 0.952 270 R CB -0.055 30.231 30.300 -0.023 0.000 0.847 270 R HN 0.638 nan 8.270 nan 0.000 0.431 271 D N -1.644 118.763 120.400 0.012 0.000 2.326 271 D HA 0.272 4.912 4.640 -0.000 0.000 0.248 271 D C 0.107 176.415 176.300 0.013 0.000 1.001 271 D CA 0.302 54.315 54.000 0.020 0.000 0.961 271 D CB 2.096 42.923 40.800 0.045 0.000 1.183 271 D HN 0.258 nan 8.370 nan 0.000 0.502 272 A N 1.784 124.608 122.820 0.006 0.000 2.014 272 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 272 A C 0.803 178.373 177.584 -0.023 0.000 1.163 272 A CA 0.838 52.867 52.037 -0.014 0.000 0.652 272 A CB 0.045 19.037 19.000 -0.015 0.000 0.808 272 A HN 0.516 nan 8.150 nan 0.000 0.449 273 D N -0.400 120.009 120.400 0.015 0.000 2.274 273 D HA 0.274 4.914 4.640 -0.000 0.000 0.239 273 D C -0.143 176.209 176.300 0.086 0.000 1.104 273 D CA -0.457 53.566 54.000 0.038 0.000 0.840 273 D CB 0.871 41.722 40.800 0.086 0.000 1.100 273 D HN 0.018 nan 8.370 nan 0.000 0.477 274 D N 2.408 122.831 120.400 0.038 0.000 2.269 274 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 274 D C 1.331 177.784 176.300 0.255 0.000 0.963 274 D CA 0.602 54.682 54.000 0.133 0.000 0.864 274 D CB -0.068 40.717 40.800 -0.025 0.000 0.936 274 D HN 0.572 nan 8.370 nan 0.000 0.505 275 Y N 1.579 121.955 120.300 0.126 0.000 2.128 275 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 275 Y C 2.268 178.374 175.900 0.345 0.000 1.154 275 Y CA 1.831 60.089 58.100 0.263 0.000 1.149 275 Y CB -0.335 38.268 38.460 0.239 0.000 0.976 275 Y HN -0.112 nan 8.280 nan 0.000 0.505 276 T N 0.691 115.499 114.554 0.422 0.000 2.737 276 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 276 T C 1.647 176.470 174.700 0.205 0.000 1.038 276 T CA 1.344 63.614 62.100 0.283 0.000 1.144 276 T CB -0.307 68.684 68.868 0.205 0.000 0.866 276 T HN 0.377 nan 8.240 nan 0.000 0.434 277 N N 0.980 119.793 118.700 0.188 0.000 2.043 277 N HA -0.043 4.697 4.740 -0.000 0.000 0.193 277 N C 1.623 177.199 175.510 0.111 0.000 1.037 277 N CA 1.286 54.405 53.050 0.116 0.000 0.851 277 N CB -0.579 37.953 38.487 0.076 0.000 1.027 277 N HN 0.356 nan 8.380 nan 0.000 0.422 278 F N 0.670 120.699 119.950 0.132 0.000 2.259 278 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 278 F C 2.171 178.130 175.800 0.266 0.000 1.088 278 F CA 0.247 58.337 58.000 0.150 0.000 1.358 278 F CB -0.327 38.630 39.000 -0.073 0.000 1.040 278 F HN -0.009 nan 8.300 nan 0.000 0.505 279 L N 0.387 121.851 121.223 0.401 0.000 2.156 279 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 279 L C 2.021 178.917 176.870 0.042 0.000 1.095 279 L CA 1.773 56.676 54.840 0.106 0.000 0.770 279 L CB -0.618 41.381 42.059 -0.099 0.000 0.914 279 L HN -0.037 nan 8.230 nan 0.000 0.439 280 K N -0.916 119.534 120.400 0.083 0.000 2.217 280 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 280 K C 1.975 178.600 176.600 0.043 0.000 1.051 280 K CA 0.943 57.255 56.287 0.042 0.000 0.952 280 K CB -0.154 32.370 32.500 0.041 0.000 0.736 280 K HN 0.405 nan 8.250 nan 0.000 0.453 281 A N 0.802 123.676 122.820 0.090 0.000 2.014 281 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 281 A C 1.454 179.104 177.584 0.110 0.000 1.163 281 A CA 1.563 53.657 52.037 0.095 0.000 0.652 281 A CB -0.371 18.733 19.000 0.174 0.000 0.808 281 A HN 0.432 nan 8.150 nan 0.000 0.449 282 G N -0.862 108.003 108.800 0.107 0.000 3.298 282 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 282 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 282 G C 0.726 175.731 174.900 0.176 0.000 1.681 282 G CA 0.724 45.855 45.100 0.052 0.000 1.094 282 G HN 1.687 nan 8.290 nan 0.000 0.575 283 S N 1.230 117.109 115.700 0.299 0.000 2.681 283 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 283 S C 1.646 176.534 174.600 0.481 0.000 1.209 283 S CA 0.615 59.073 58.200 0.431 0.000 0.988 283 S CB 1.576 65.028 63.200 0.421 0.000 1.006 283 S HN 2.126 nan 8.310 nan 0.000 0.558 284 A N 0.911 124.088 122.820 0.594 0.000 1.897 284 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 284 A C 2.161 180.112 177.584 0.613 0.000 1.181 284 A CA 1.380 53.871 52.037 0.757 0.000 0.620 284 A CB -1.767 17.795 19.000 0.937 0.000 0.821 284 A HN 1.124 nan 8.150 nan 0.000 0.443 285 G N -0.902 108.270 108.800 0.619 0.000 2.432 285 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 285 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 285 G C 1.871 176.918 174.900 0.245 0.000 1.135 285 G CA 1.459 46.861 45.100 0.504 0.000 0.767 285 G HN 0.550 nan 8.290 nan 0.000 0.550 286 S N -0.532 115.312 115.700 0.240 0.000 2.387 286 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 286 S C 2.013 176.629 174.600 0.027 0.000 1.026 286 S CA 1.038 59.313 58.200 0.126 0.000 0.972 286 S CB -0.367 62.926 63.200 0.154 0.000 0.814 286 S HN 0.370 nan 8.310 nan 0.000 0.477 287 F N 2.262 122.160 119.950 -0.087 0.000 2.146 287 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 287 F C 2.256 177.761 175.800 -0.493 0.000 1.096 287 F CA 1.173 59.009 58.000 -0.273 0.000 1.275 287 F CB -0.689 38.154 39.000 -0.261 0.000 1.008 287 F HN 0.279 nan 8.300 nan 0.000 0.480 288 A N -0.268 122.266 122.820 -0.476 0.000 1.883 288 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 288 A C 2.191 179.484 177.584 -0.484 0.000 1.186 288 A CA 2.426 53.957 52.037 -0.844 0.000 0.624 288 A CB -1.482 16.896 19.000 -1.037 0.000 0.822 288 A HN 0.427 nan 8.150 nan 0.000 0.444 289 T N 0.017 114.418 114.554 -0.253 0.000 2.720 289 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 289 T C 2.045 176.619 174.700 -0.210 0.000 1.037 289 T CA 1.812 63.820 62.100 -0.154 0.000 1.144 289 T CB -0.298 68.531 68.868 -0.065 0.000 0.864 289 T HN 0.618 nan 8.240 nan 0.000 0.444 290 Q N 0.322 119.950 119.800 -0.288 0.000 2.226 290 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 290 Q C 2.313 178.080 176.000 -0.389 0.000 0.975 290 Q CA 1.170 56.780 55.803 -0.321 0.000 0.866 290 Q CB -0.148 28.369 28.738 -0.369 0.000 0.915 290 Q HN 0.525 nan 8.270 nan 0.000 0.440 291 A N -0.341 122.166 122.820 -0.521 0.000 2.251 291 A HA 0.321 4.641 4.320 -0.000 0.000 0.209 291 A C 1.396 178.820 177.584 -0.266 0.000 1.187 291 A CA 0.655 52.416 52.037 -0.460 0.000 0.823 291 A CB -0.162 18.463 19.000 -0.625 0.000 0.846 291 A HN 0.422 nan 8.150 nan 0.000 0.486 292 G N -0.928 107.749 108.800 -0.204 0.000 2.143 292 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 292 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 292 G C 0.671 175.583 174.900 0.021 0.000 0.991 292 G CA 0.474 45.534 45.100 -0.067 0.000 0.689 292 G HN 0.460 nan 8.290 nan 0.000 0.522 293 L N 0.046 121.193 121.223 -0.126 0.000 2.551 293 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 293 L C 1.968 178.974 176.870 0.227 0.000 1.153 293 L CA 0.807 55.591 54.840 -0.094 0.000 0.851 293 L CB -0.082 41.671 42.059 -0.510 0.000 0.959 293 L HN 0.075 nan 8.230 nan 0.000 0.451 294 D N 0.048 120.556 120.400 0.179 0.000 2.350 294 D HA -0.177 4.463 4.640 -0.000 0.000 0.216 294 D C 1.956 178.353 176.300 0.162 0.000 0.968 294 D CA 0.730 54.853 54.000 0.204 0.000 0.894 294 D CB 0.089 40.930 40.800 0.068 0.000 0.909 294 D HN 0.575 nan 8.370 nan 0.000 0.520 295 Q N -0.593 119.324 119.800 0.196 0.000 2.319 295 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 295 Q C -0.283 175.752 176.000 0.060 0.000 0.896 295 Q CA -0.049 55.806 55.803 0.087 0.000 0.942 295 Q CB -0.071 28.674 28.738 0.011 0.000 1.083 295 Q HN 0.257 nan 8.270 nan 0.000 0.510 296 Y N 1.627 121.977 120.300 0.082 0.000 2.404 296 Y HA 0.253 4.803 4.550 -0.000 0.000 0.344 296 Y C -1.598 174.351 175.900 0.082 0.000 0.970 296 Y CA -2.569 55.588 58.100 0.095 0.000 1.180 296 Y CB 1.465 40.005 38.460 0.134 0.000 1.138 296 Y HN 0.050 nan 8.280 nan 0.000 0.510 297 P HA -0.288 nan 4.420 nan 0.000 0.216 297 P C 1.592 178.930 177.300 0.063 0.000 1.154 297 P CA 1.522 64.660 63.100 0.064 0.000 0.865 297 P CB 0.044 31.772 31.700 0.047 0.000 0.789 298 F N -1.070 118.865 119.950 -0.025 0.000 2.171 298 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 298 F C 2.248 177.956 175.800 -0.153 0.000 1.090 298 F CA 1.225 59.154 58.000 -0.119 0.000 1.293 298 F CB -0.738 38.132 39.000 -0.216 0.000 1.013 298 F HN 0.015 nan 8.300 nan 0.000 0.486 299 W N 1.175 122.305 121.300 -0.282 0.000 2.402 299 W HA -0.188 4.472 4.660 -0.000 0.000 0.286 299 W C 1.929 178.313 176.519 -0.224 0.000 1.221 299 W CA 1.353 58.532 57.345 -0.278 0.000 1.257 299 W CB -0.323 29.095 29.460 -0.069 0.000 1.120 299 W HN 0.162 nan 8.180 nan 0.000 0.551 300 Q N 0.339 119.914 119.800 -0.375 0.000 2.020 300 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 300 Q C 2.403 178.105 176.000 -0.497 0.000 0.982 300 Q CA 2.074 57.608 55.803 -0.449 0.000 0.838 300 Q CB -0.371 28.235 28.738 -0.221 0.000 0.899 300 Q HN 0.273 nan 8.270 nan 0.000 0.423 301 R N 0.213 120.429 120.500 -0.473 0.000 2.073 301 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 301 R C 2.331 178.257 176.300 -0.622 0.000 1.134 301 R CA 1.613 57.361 56.100 -0.587 0.000 0.952 301 R CB -0.454 29.466 30.300 -0.633 0.000 0.850 301 R HN 0.337 nan 8.270 nan 0.000 0.433 302 M N 0.317 119.555 119.600 -0.604 0.000 2.108 302 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 302 M C 2.429 178.546 176.300 -0.305 0.000 1.066 302 M CA 1.742 56.906 55.300 -0.227 0.000 1.107 302 M CB -0.343 32.161 32.600 -0.161 0.000 1.356 302 M HN 0.241 nan 8.290 nan 0.000 0.406 303 H N -0.055 118.406 119.070 -1.015 0.000 2.421 303 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 303 H C 1.571 176.636 175.328 -0.439 0.000 1.087 303 H CA 1.768 57.164 56.048 -1.087 0.000 1.330 303 H CB 0.116 28.999 29.762 -1.465 0.000 1.388 303 H HN 0.541 nan 8.280 nan 0.000 0.526 304 A N 0.244 122.791 122.820 -0.455 0.000 2.169 304 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 304 A C 0.426 177.644 177.584 -0.610 0.000 1.153 304 A CA 0.337 52.059 52.037 -0.526 0.000 0.756 304 A CB -0.052 18.570 19.000 -0.630 0.000 0.813 304 A HN 0.467 nan 8.150 nan 0.000 0.471 305 H N -0.530 118.472 119.070 -0.113 0.000 2.336 305 H HA 0.191 4.747 4.556 -0.000 0.000 0.230 305 H C -2.080 173.501 175.328 0.421 0.000 1.426 305 H CA -1.427 54.667 56.048 0.077 0.000 1.359 305 H CB 0.583 30.279 29.762 -0.111 0.000 1.555 305 H HN 0.357 nan 8.280 nan 0.000 0.512 306 P HA -0.009 nan 4.420 nan 0.000 0.225 306 P C 0.755 178.294 177.300 0.399 0.000 1.156 306 P CA 0.500 63.857 63.100 0.429 0.000 0.787 306 P CB 0.703 32.554 31.700 0.251 0.000 0.802 307 A N -0.518 122.504 122.820 0.337 0.000 2.269 307 A HA 0.300 4.620 4.320 -0.000 0.000 0.319 307 A C -0.621 176.802 177.584 -0.269 0.000 1.110 307 A CA -0.561 51.574 52.037 0.164 0.000 0.847 307 A CB -0.136 19.027 19.000 0.273 0.000 1.161 307 A HN 0.011 nan 8.150 nan 0.000 0.497 308 Y N 2.199 121.854 120.300 -1.074 0.000 2.889 308 Y HA 0.171 4.721 4.550 -0.000 0.000 0.367 308 Y C 0.236 175.913 175.900 -0.372 0.000 1.197 308 Y CA -0.964 56.433 58.100 -1.171 0.000 1.993 308 Y CB -0.993 36.518 38.460 -1.582 0.000 2.112 308 Y HN 0.772 nan 8.280 nan 0.000 0.413 309 D N -0.066 120.205 120.400 -0.215 0.000 2.469 309 D HA 0.241 4.881 4.640 -0.000 0.000 0.278 309 D C 1.597 177.743 176.300 -0.258 0.000 1.231 309 D CA 0.097 54.008 54.000 -0.149 0.000 1.075 309 D CB -0.022 40.788 40.800 0.016 0.000 1.121 309 D HN 0.209 nan 8.370 nan 0.000 0.571 310 A N -0.806 121.906 122.820 -0.179 0.000 1.948 310 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 310 A C 2.019 179.452 177.584 -0.253 0.000 1.177 310 A CA 1.710 53.634 52.037 -0.189 0.000 0.636 310 A CB -1.284 17.647 19.000 -0.115 0.000 0.815 310 A HN 0.546 nan 8.150 nan 0.000 0.449 311 F N -1.106 118.514 119.950 -0.549 0.000 2.134 311 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 311 F C 1.901 177.310 175.800 -0.652 0.000 1.097 311 F CA 1.765 59.312 58.000 -0.755 0.000 1.264 311 F CB -0.399 37.774 39.000 -1.378 0.000 1.001 311 F HN 0.412 nan 8.300 nan 0.000 0.479 312 W N 0.175 121.259 121.300 -0.360 0.000 2.576 312 W HA 0.022 4.682 4.660 -0.000 0.000 0.275 312 W C 2.447 178.675 176.519 -0.484 0.000 1.241 312 W CA 0.456 57.579 57.345 -0.369 0.000 1.328 312 W CB -0.533 28.772 29.460 -0.258 0.000 1.092 312 W HN -0.034 nan 8.180 nan 0.000 0.586 313 Q N -0.093 119.403 119.800 -0.507 0.000 2.124 313 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 313 Q C 2.357 178.256 176.000 -0.169 0.000 0.977 313 Q CA 1.400 56.946 55.803 -0.429 0.000 0.850 313 Q CB -0.686 27.799 28.738 -0.421 0.000 0.901 313 Q HN 0.374 nan 8.270 nan 0.000 0.429 314 G N 0.189 108.873 108.800 -0.193 0.000 2.848 314 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.208 314 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.208 314 G C 0.780 175.628 174.900 -0.086 0.000 1.152 314 G CA 0.082 45.102 45.100 -0.132 0.000 0.789 314 G HN 0.283 nan 8.290 nan 0.000 0.531 315 Q N -0.489 119.280 119.800 -0.052 0.000 2.135 315 Q HA 0.366 4.706 4.340 -0.000 0.000 0.222 315 Q C 0.423 176.529 176.000 0.177 0.000 0.808 315 Q CA -0.392 55.448 55.803 0.063 0.000 1.049 315 Q CB 1.483 30.246 28.738 0.042 0.000 1.168 315 Q HN 0.276 nan 8.270 nan 0.000 0.483 316 A N 1.420 124.333 122.820 0.156 0.000 2.666 316 A HA 0.256 4.576 4.320 -0.000 0.000 0.312 316 A C 0.912 178.612 177.584 0.193 0.000 1.471 316 A CA -0.193 51.972 52.037 0.214 0.000 1.134 316 A CB -0.225 18.918 19.000 0.239 0.000 1.129 316 A HN 0.426 nan 8.150 nan 0.000 0.539 317 L N 1.097 122.451 121.223 0.219 0.000 2.275 317 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 317 L C 1.992 178.970 176.870 0.180 0.000 1.119 317 L CA 1.123 56.083 54.840 0.199 0.000 0.790 317 L CB -0.458 41.739 42.059 0.231 0.000 0.919 317 L HN 0.780 nan 8.230 nan 0.000 0.443 318 D N 0.086 120.598 120.400 0.187 0.000 2.117 318 D HA -0.187 4.452 4.640 -0.000 0.000 0.198 318 D C 1.808 178.179 176.300 0.118 0.000 0.982 318 D CA 1.037 55.119 54.000 0.137 0.000 0.828 318 D CB -0.240 40.658 40.800 0.163 0.000 0.967 318 D HN 0.165 nan 8.370 nan 0.000 0.464 319 K N 0.436 120.921 120.400 0.141 0.000 2.025 319 K HA -0.009 4.311 4.320 -0.000 0.000 0.207 319 K C 2.367 179.024 176.600 0.096 0.000 1.049 319 K CA 0.337 56.694 56.287 0.117 0.000 0.933 319 K CB -0.337 32.240 32.500 0.129 0.000 0.714 319 K HN 0.260 nan 8.250 nan 0.000 0.438 320 I N 1.187 121.818 120.570 0.102 0.000 2.142 320 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 320 I C 2.460 178.632 176.117 0.092 0.000 1.078 320 I CA 0.861 62.214 61.300 0.088 0.000 1.343 320 I CB -1.011 37.043 38.000 0.089 0.000 1.046 320 I HN 0.054 nan 8.210 nan 0.000 0.405 321 L N 1.499 122.789 121.223 0.112 0.000 2.127 321 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 321 L C 2.535 179.467 176.870 0.103 0.000 1.089 321 L CA 1.957 56.872 54.840 0.125 0.000 0.757 321 L CB -0.771 41.395 42.059 0.178 0.000 0.899 321 L HN 0.201 nan 8.230 nan 0.000 0.434 322 A N -1.428 121.439 122.820 0.079 0.000 1.969 322 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 322 A C 2.158 179.773 177.584 0.051 0.000 1.169 322 A CA 1.538 53.606 52.037 0.053 0.000 0.635 322 A CB -0.426 18.593 19.000 0.033 0.000 0.810 322 A HN 0.639 nan 8.150 nan 0.000 0.445 323 Q N -0.954 118.880 119.800 0.057 0.000 2.172 323 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 323 Q C 2.014 178.044 176.000 0.051 0.000 0.964 323 Q CA 0.820 56.653 55.803 0.050 0.000 0.855 323 Q CB -0.040 28.728 28.738 0.050 0.000 0.918 323 Q HN 0.413 nan 8.270 nan 0.000 0.444 324 R N 0.825 121.362 120.500 0.062 0.000 2.200 324 R HA 0.071 4.411 4.340 -0.000 0.000 0.208 324 R C 0.224 176.562 176.300 0.063 0.000 1.033 324 R CA 0.200 56.338 56.100 0.063 0.000 1.000 324 R CB -0.039 30.306 30.300 0.075 0.000 0.906 324 R HN 0.118 nan 8.270 nan 0.000 0.462 325 K N 1.693 122.133 120.400 0.067 0.000 4.838 325 K HA -0.119 4.201 4.320 -0.000 0.000 0.300 325 K C -2.298 174.345 176.600 0.071 0.000 0.861 325 K CA 0.156 56.483 56.287 0.066 0.000 0.929 325 K CB -0.544 31.985 32.500 0.049 0.000 1.772 325 K HN 0.203 nan 8.250 nan 0.000 0.422 326 P HA 0.020 nan 4.420 nan 0.000 0.272 326 P C 0.524 177.863 177.300 0.066 0.000 1.230 326 P CA 0.020 63.168 63.100 0.080 0.000 0.788 326 P CB 0.646 32.406 31.700 0.100 0.000 0.949 327 T N -3.066 111.513 114.554 0.041 0.000 3.174 327 T HA 0.223 4.573 4.350 -0.000 0.000 0.269 327 T C 0.377 175.068 174.700 -0.014 0.000 1.017 327 T CA -0.299 61.816 62.100 0.024 0.000 0.899 327 T CB -0.490 68.390 68.868 0.020 0.000 1.077 327 T HN 0.072 nan 8.240 nan 0.000 0.552 328 V N 3.622 123.523 119.914 -0.022 0.000 2.498 328 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 328 V C -2.257 173.776 176.094 -0.100 0.000 1.048 328 V CA -2.185 60.058 62.300 -0.095 0.000 0.967 328 V CB 1.044 32.819 31.823 -0.080 0.000 0.988 328 V HN 0.249 nan 8.190 nan 0.000 0.473 329 P HA 0.157 nan 4.420 nan 0.000 0.262 329 P C -0.585 176.758 177.300 0.071 0.000 1.182 329 P CA 0.475 63.492 63.100 -0.138 0.000 0.761 329 P CB 0.289 31.568 31.700 -0.702 0.000 0.795 330 M N 3.117 122.849 119.600 0.221 0.000 2.464 330 M HA 0.459 4.939 4.480 -0.000 0.000 0.308 330 M C -0.892 175.439 176.300 0.052 0.000 1.127 330 M CA -0.849 54.497 55.300 0.076 0.000 0.913 330 M CB 2.201 34.773 32.600 -0.047 0.000 1.689 330 M HN 0.078 nan 8.290 nan 0.000 0.445 331 L N 2.809 123.967 121.223 -0.109 0.000 2.377 331 L HA 0.547 4.887 4.340 -0.000 0.000 0.270 331 L C -2.077 174.656 176.870 -0.227 0.000 0.991 331 L CA 0.044 54.774 54.840 -0.183 0.000 0.851 331 L CB 0.838 42.778 42.059 -0.199 0.000 1.218 331 L HN 0.633 nan 8.230 nan 0.000 0.420 332 W N 4.509 125.781 121.300 -0.048 0.000 2.390 332 W HA 0.604 5.264 4.660 -0.000 0.000 0.312 332 W C 0.389 176.816 176.519 -0.154 0.000 1.123 332 W CA -0.193 57.126 57.345 -0.045 0.000 1.202 332 W CB 1.131 30.608 29.460 0.028 0.000 1.251 332 W HN 0.399 nan 8.180 nan 0.000 0.511 333 E N 3.486 123.747 120.200 0.101 0.000 2.317 333 E HA 0.423 4.773 4.350 -0.000 0.000 0.270 333 E C -1.231 175.404 176.600 0.058 0.000 0.885 333 E CA -0.704 55.680 56.400 -0.027 0.000 0.760 333 E CB 2.312 31.913 29.700 -0.165 0.000 1.227 333 E HN 0.678 nan 8.360 nan 0.000 0.434 334 Q N 1.068 120.896 119.800 0.047 0.000 2.647 334 Q HA 0.597 4.937 4.340 -0.000 0.000 0.283 334 Q C -0.869 175.186 176.000 0.092 0.000 0.943 334 Q CA -1.078 54.783 55.803 0.096 0.000 0.813 334 Q CB 0.633 29.418 28.738 0.079 0.000 1.477 334 Q HN 0.485 nan 8.270 nan 0.000 0.393 335 G N 0.850 109.742 108.800 0.154 0.000 2.476 335 G HA2 0.402 4.362 3.960 -0.000 0.000 0.269 335 G HA3 0.402 4.362 3.960 -0.000 0.000 0.269 335 G C 0.264 175.091 174.900 -0.123 0.000 1.195 335 G CA -0.858 44.292 45.100 0.085 0.000 0.843 335 G HN 0.622 nan 8.290 nan 0.000 0.545 336 L N 0.139 121.151 121.223 -0.353 0.000 2.291 336 L HA 0.059 4.399 4.340 -0.000 0.000 0.214 336 L C 1.004 177.519 176.870 -0.592 0.000 1.120 336 L CA 0.559 55.056 54.840 -0.572 0.000 0.799 336 L CB 0.047 41.541 42.059 -0.942 0.000 0.925 336 L HN 0.535 nan 8.230 nan 0.000 0.446 337 W N 0.291 121.520 121.300 -0.118 0.000 1.931 337 W HA 0.214 4.873 4.660 -0.000 0.000 0.346 337 W C 0.001 176.458 176.519 -0.103 0.000 0.775 337 W CA -0.987 56.282 57.345 -0.127 0.000 2.738 337 W CB 0.003 29.380 29.460 -0.138 0.000 1.908 337 W HN -0.066 nan 8.180 nan 0.000 0.665 338 D N 2.347 122.806 120.400 0.098 0.000 2.346 338 D HA -0.044 4.596 4.640 -0.000 0.000 0.260 338 D C 1.486 177.815 176.300 0.047 0.000 1.252 338 D CA 0.537 54.617 54.000 0.133 0.000 0.895 338 D CB 1.165 42.070 40.800 0.175 0.000 1.097 338 D HN 0.144 nan 8.370 nan 0.000 0.489 339 Q N 2.831 122.604 119.800 -0.045 0.000 2.403 339 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 339 Q C 0.174 176.145 176.000 -0.048 0.000 0.932 339 Q CA 0.762 56.450 55.803 -0.192 0.000 0.945 339 Q CB 0.312 28.716 28.738 -0.558 0.000 1.045 339 Q HN 0.592 nan 8.270 nan 0.000 0.511 340 E N 0.083 120.246 120.200 -0.062 0.000 2.399 340 E HA 0.134 4.484 4.350 -0.000 0.000 0.206 340 E C -0.342 176.186 176.600 -0.120 0.000 0.812 340 E CA 0.126 56.428 56.400 -0.164 0.000 1.138 340 E CB 0.779 30.134 29.700 -0.574 0.000 1.140 340 E HN 0.253 nan 8.360 nan 0.000 0.536 341 D N 0.777 121.169 120.400 -0.013 0.000 2.552 341 D HA 0.108 4.748 4.640 -0.000 0.000 0.285 341 D C 0.168 176.577 176.300 0.181 0.000 1.206 341 D CA 0.005 54.066 54.000 0.101 0.000 0.826 341 D CB 1.275 42.171 40.800 0.159 0.000 1.179 341 D HN 0.018 nan 8.370 nan 0.000 0.508 342 M N 0.386 120.093 119.600 0.179 0.000 2.349 342 M HA 0.049 4.529 4.480 -0.000 0.000 0.266 342 M C 1.562 177.979 176.300 0.194 0.000 1.076 342 M CA 1.082 56.483 55.300 0.168 0.000 1.126 342 M CB 0.147 32.854 32.600 0.179 0.000 1.392 342 M HN 0.415 nan 8.290 nan 0.000 0.440 343 W N 0.403 121.700 121.300 -0.005 0.000 2.441 343 W HA 0.047 4.707 4.660 -0.000 0.000 0.302 343 W C 1.718 178.317 176.519 0.133 0.000 1.191 343 W CA 1.604 58.958 57.345 0.016 0.000 1.327 343 W CB -0.912 28.410 29.460 -0.231 0.000 1.128 343 W HN 0.317 nan 8.180 nan 0.000 0.522 344 G N 1.484 110.490 108.800 0.342 0.000 2.812 344 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.218 344 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.218 344 G C 1.669 176.667 174.900 0.163 0.000 1.287 344 G CA 2.734 48.001 45.100 0.278 0.000 0.796 344 G HN 0.385 nan 8.290 nan 0.000 0.649 345 A N 0.233 123.156 122.820 0.173 0.000 1.865 345 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 345 A C 2.507 180.059 177.584 -0.054 0.000 1.191 345 A CA 1.825 53.948 52.037 0.143 0.000 0.623 345 A CB -0.499 18.637 19.000 0.227 0.000 0.826 345 A HN 0.560 nan 8.150 nan 0.000 0.444 346 I N -1.579 118.965 120.570 -0.043 0.000 2.315 346 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 346 I C 2.291 178.323 176.117 -0.140 0.000 1.117 346 I CA 1.806 63.063 61.300 -0.072 0.000 1.404 346 I CB -0.123 37.801 38.000 -0.126 0.000 1.071 346 I HN 0.482 nan 8.210 nan 0.000 0.419 347 H N 0.216 119.133 119.070 -0.256 0.000 2.395 347 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 347 H C 2.226 177.418 175.328 -0.227 0.000 1.070 347 H CA 1.394 57.258 56.048 -0.308 0.000 1.356 347 H CB -0.141 29.278 29.762 -0.573 0.000 1.401 347 H HN 0.421 nan 8.280 nan 0.000 0.524 348 A N 0.245 122.943 122.820 -0.204 0.000 1.898 348 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 348 A C 2.111 179.329 177.584 -0.610 0.000 1.181 348 A CA 1.396 53.173 52.037 -0.432 0.000 0.620 348 A CB -1.088 17.450 19.000 -0.769 0.000 0.819 348 A HN 0.687 nan 8.150 nan 0.000 0.442 349 W N 0.628 121.379 121.300 -0.915 0.000 2.381 349 W HA -0.192 4.468 4.660 -0.000 0.000 0.301 349 W C 2.102 178.451 176.519 -0.284 0.000 1.205 349 W CA 1.990 58.920 57.345 -0.693 0.000 1.285 349 W CB -0.191 28.958 29.460 -0.518 0.000 1.133 349 W HN 0.381 nan 8.180 nan 0.000 0.521 350 Q N 0.815 120.393 119.800 -0.369 0.000 2.167 350 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 350 Q C 2.158 177.933 176.000 -0.376 0.000 0.970 350 Q CA 2.314 57.799 55.803 -0.529 0.000 0.855 350 Q CB -0.686 27.900 28.738 -0.253 0.000 0.911 350 Q HN 0.297 nan 8.270 nan 0.000 0.438 351 A N -0.154 122.519 122.820 -0.245 0.000 1.897 351 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 351 A C 2.018 179.511 177.584 -0.152 0.000 1.181 351 A CA 1.080 53.034 52.037 -0.139 0.000 0.620 351 A CB -0.599 18.368 19.000 -0.054 0.000 0.821 351 A HN 0.430 nan 8.150 nan 0.000 0.443 352 L N -0.634 120.474 121.223 -0.192 0.000 2.141 352 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 352 L C 2.610 179.372 176.870 -0.180 0.000 1.094 352 L CA 1.709 56.475 54.840 -0.123 0.000 0.763 352 L CB -0.327 41.713 42.059 -0.031 0.000 0.908 352 L HN 0.453 nan 8.230 nan 0.000 0.437 353 K N 0.028 120.207 120.400 -0.370 0.000 2.103 353 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 353 K C 1.510 177.970 176.600 -0.233 0.000 1.052 353 K CA 1.451 57.513 56.287 -0.375 0.000 0.945 353 K CB 0.105 32.171 32.500 -0.724 0.000 0.722 353 K HN 0.208 nan 8.250 nan 0.000 0.443 354 D N 0.422 120.690 120.400 -0.220 0.000 2.183 354 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 354 D C 1.427 177.679 176.300 -0.080 0.000 0.969 354 D CA 1.078 54.997 54.000 -0.134 0.000 0.842 354 D CB -0.016 40.715 40.800 -0.114 0.000 0.957 354 D HN 0.308 nan 8.370 nan 0.000 0.484 355 A N 0.306 123.084 122.820 -0.070 0.000 2.235 355 A HA -0.062 4.258 4.320 -0.000 0.000 0.208 355 A C 0.405 177.976 177.584 -0.022 0.000 1.172 355 A CA 0.311 52.329 52.037 -0.031 0.000 0.786 355 A CB -0.110 18.881 19.000 -0.014 0.000 0.804 355 A HN 0.089 nan 8.150 nan 0.000 0.479 356 D N -0.428 119.949 120.400 -0.038 0.000 2.812 356 D HA -0.141 4.499 4.640 -0.000 0.000 0.237 356 D C -0.067 176.235 176.300 0.004 0.000 1.162 356 D CA 0.855 54.843 54.000 -0.019 0.000 0.740 356 D CB -1.313 39.483 40.800 -0.007 0.000 1.000 356 D HN 0.326 nan 8.370 nan 0.000 0.416 357 V N 2.138 122.056 119.914 0.006 0.000 2.843 357 V HA 0.016 4.136 4.120 -0.000 0.000 0.305 357 V C 0.762 176.888 176.094 0.053 0.000 1.065 357 V CA 0.337 62.660 62.300 0.038 0.000 1.116 357 V CB 1.101 32.960 31.823 0.061 0.000 0.968 357 V HN 0.137 nan 8.190 nan 0.000 0.487 358 K N 5.931 126.364 120.400 0.057 0.000 2.559 358 K HA 0.674 4.994 4.320 -0.000 0.000 0.236 358 K C -0.373 176.267 176.600 0.067 0.000 1.185 358 K CA 0.252 56.575 56.287 0.059 0.000 1.157 358 K CB 0.472 33.001 32.500 0.048 0.000 1.782 358 K HN 0.840 nan 8.250 nan 0.000 0.419 359 A N 1.383 124.257 122.820 0.089 0.000 2.581 359 A HA 0.462 4.782 4.320 -0.000 0.000 0.294 359 A C -2.996 174.679 177.584 0.152 0.000 1.035 359 A CA -1.194 50.901 52.037 0.097 0.000 0.684 359 A CB 0.757 19.796 19.000 0.065 0.000 1.282 359 A HN 0.102 nan 8.150 nan 0.000 0.417 360 P HA 0.248 nan 4.420 nan 0.000 0.264 360 P C -0.662 176.811 177.300 0.289 0.000 1.183 360 P CA 0.657 63.923 63.100 0.278 0.000 0.763 360 P CB 0.252 32.203 31.700 0.420 0.000 0.807 361 N N 1.369 120.257 118.700 0.313 0.000 2.653 361 N HA 0.213 4.953 4.740 -0.000 0.000 0.261 361 N C -1.606 174.226 175.510 0.537 0.000 1.216 361 N CA -0.310 52.999 53.050 0.433 0.000 0.784 361 N CB 0.680 39.382 38.487 0.357 0.000 1.327 361 N HN 0.056 nan 8.380 nan 0.000 0.539 362 T N 2.347 117.119 114.554 0.362 0.000 2.823 362 T HA 0.471 4.821 4.350 -0.000 0.000 0.279 362 T C -0.794 173.875 174.700 -0.051 0.000 0.998 362 T CA -0.441 61.757 62.100 0.163 0.000 0.994 362 T CB 1.242 70.079 68.868 -0.052 0.000 0.960 362 T HN 0.357 nan 8.240 nan 0.000 0.448 363 L N 4.231 125.159 121.223 -0.491 0.000 2.295 363 L HA 0.739 5.079 4.340 -0.000 0.000 0.285 363 L C -1.122 175.441 176.870 -0.512 0.000 1.035 363 L CA -0.371 54.038 54.840 -0.719 0.000 0.806 363 L CB 1.155 42.284 42.059 -1.550 0.000 1.214 363 L HN 0.435 nan 8.230 nan 0.000 0.426 364 V N 6.454 126.140 119.914 -0.380 0.000 2.531 364 V HA 0.543 4.663 4.120 -0.000 0.000 0.301 364 V C -0.258 175.637 176.094 -0.332 0.000 1.034 364 V CA -0.456 61.624 62.300 -0.367 0.000 0.865 364 V CB 1.651 33.225 31.823 -0.415 0.000 0.995 364 V HN 0.771 nan 8.190 nan 0.000 0.424 365 M N 4.102 123.483 119.600 -0.364 0.000 2.106 365 M HA 0.572 5.052 4.480 -0.000 0.000 0.288 365 M C 0.241 176.147 176.300 -0.656 0.000 0.941 365 M CA -0.188 54.851 55.300 -0.435 0.000 0.934 365 M CB 2.071 34.406 32.600 -0.442 0.000 1.551 365 M HN 0.769 nan 8.290 nan 0.000 0.437 366 G N 2.384 110.441 108.800 -1.238 0.000 2.521 366 G HA2 0.727 4.687 3.960 -0.000 0.000 0.323 366 G HA3 0.727 4.687 3.960 -0.000 0.000 0.323 366 G C -2.747 171.132 174.900 -1.701 0.000 1.211 366 G CA -1.330 42.493 45.100 -2.129 0.000 0.979 366 G HN 0.407 nan 8.290 nan 0.000 0.490 367 P HA 0.189 nan 4.420 nan 0.000 0.214 367 P C -0.972 175.990 177.300 -0.563 0.000 1.826 367 P CA -0.147 62.286 63.100 -1.111 0.000 0.977 367 P CB -0.086 30.473 31.700 -1.902 0.000 1.930 368 W N 1.985 123.235 121.300 -0.084 0.000 2.850 368 W HA 0.437 5.097 4.660 -0.000 0.000 0.349 368 W C 0.683 177.274 176.519 0.120 0.000 1.133 368 W CA -0.764 56.596 57.345 0.026 0.000 1.117 368 W CB 0.717 30.164 29.460 -0.021 0.000 1.442 368 W HN 0.033 nan 8.180 nan 0.000 0.575 369 R N -0.248 120.466 120.500 0.357 0.000 2.527 369 R HA 0.371 4.711 4.340 -0.000 0.000 0.243 369 R C -0.260 176.188 176.300 0.247 0.000 1.206 369 R CA -0.743 55.496 56.100 0.232 0.000 1.134 369 R CB -0.469 29.905 30.300 0.124 0.000 1.347 369 R HN 0.360 nan 8.270 nan 0.000 0.580 370 H N -0.019 119.119 119.070 0.113 0.000 3.107 370 H HA 0.081 4.637 4.556 -0.000 0.000 0.301 370 H C -0.307 175.117 175.328 0.162 0.000 0.981 370 H CA 1.516 57.644 56.048 0.134 0.000 1.443 370 H CB 0.055 29.890 29.762 0.121 0.000 1.479 370 H HN 0.699 nan 8.280 nan 0.000 0.564 371 S N 1.856 117.384 115.700 -0.288 0.000 3.261 371 S HA -0.234 4.236 4.470 -0.000 0.000 0.287 371 S C 1.856 176.470 174.600 0.023 0.000 1.281 371 S CA 0.854 58.947 58.200 -0.178 0.000 1.053 371 S CB -1.684 61.439 63.200 -0.128 0.000 1.251 371 S HN 1.017 nan 8.310 nan 0.000 0.659 372 G N 0.580 109.408 108.800 0.047 0.000 2.462 372 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.220 372 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.220 372 G C 1.250 175.932 174.900 -0.363 0.000 1.121 372 G CA 1.002 46.126 45.100 0.041 0.000 0.758 372 G HN 0.689 nan 8.290 nan 0.000 0.559 373 V N 1.158 120.658 119.914 -0.690 0.000 2.568 373 V HA -0.128 3.992 4.120 -0.000 0.000 0.253 373 V C 1.886 177.656 176.094 -0.539 0.000 1.072 373 V CA 1.934 63.578 62.300 -1.093 0.000 1.084 373 V CB -0.316 30.972 31.823 -0.892 0.000 0.676 373 V HN 0.343 nan 8.190 nan 0.000 0.469 374 N N -1.500 116.943 118.700 -0.428 0.000 2.398 374 N HA 0.110 4.850 4.740 -0.000 0.000 0.188 374 N C 0.027 175.051 175.510 -0.809 0.000 1.122 374 N CA 0.371 53.088 53.050 -0.555 0.000 0.866 374 N CB 0.222 38.330 38.487 -0.632 0.000 0.970 374 N HN 0.640 nan 8.380 nan 0.000 0.462 375 Y N -0.592 119.641 120.300 -0.112 0.000 3.338 375 Y HA 0.317 4.867 4.550 -0.000 0.000 0.293 375 Y C 0.556 176.428 175.900 -0.046 0.000 1.809 375 Y CA -1.154 56.912 58.100 -0.057 0.000 0.882 375 Y CB 0.130 38.568 38.460 -0.037 0.000 1.367 375 Y HN -0.243 nan 8.280 nan 0.000 0.672 376 N N 0.474 119.285 118.700 0.185 0.000 2.425 376 N HA 0.226 4.966 4.740 -0.000 0.000 0.268 376 N C -0.261 175.347 175.510 0.163 0.000 0.991 376 N CA -0.001 53.128 53.050 0.132 0.000 0.931 376 N CB 1.523 40.075 38.487 0.108 0.000 1.130 376 N HN 0.845 nan 8.380 nan 0.000 0.493 377 G N 1.759 110.685 108.800 0.210 0.000 3.814 377 G HA2 0.055 4.015 3.960 -0.000 0.000 0.293 377 G HA3 0.055 4.015 3.960 -0.000 0.000 0.293 377 G C 0.663 175.793 174.900 0.384 0.000 1.243 377 G CA -0.283 45.036 45.100 0.365 0.000 1.053 377 G HN 0.544 nan 8.290 nan 0.000 0.562 378 S N -0.103 115.765 115.700 0.280 0.000 2.446 378 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 378 S C 1.408 176.117 174.600 0.181 0.000 1.016 378 S CA 0.971 59.309 58.200 0.231 0.000 0.943 378 S CB 0.210 63.484 63.200 0.123 0.000 0.786 378 S HN 0.709 nan 8.310 nan 0.000 0.508 379 T N -0.878 113.779 114.554 0.171 0.000 2.816 379 T HA 0.718 5.068 4.350 -0.000 0.000 0.299 379 T C -1.645 173.123 174.700 0.113 0.000 1.230 379 T CA -0.821 61.240 62.100 -0.065 0.000 1.007 379 T CB 1.861 70.671 68.868 -0.097 0.000 1.289 379 T HN -0.038 nan 8.240 nan 0.000 0.508 380 L N 1.023 122.204 121.223 -0.069 0.000 2.753 380 L HA 0.610 4.950 4.340 -0.000 0.000 0.259 380 L C 0.594 177.367 176.870 -0.161 0.000 0.958 380 L CA 1.449 56.292 54.840 0.004 0.000 0.955 380 L CB 0.879 43.042 42.059 0.174 0.000 1.317 380 L HN 1.598 nan 8.230 nan 0.000 0.436 381 G N 5.577 114.307 108.800 -0.116 0.000 2.611 381 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.301 381 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.301 381 G C -1.665 173.142 174.900 -0.155 0.000 1.233 381 G CA 0.284 45.311 45.100 -0.122 0.000 0.993 381 G HN 0.612 nan 8.290 nan 0.000 0.553 382 P HA 0.265 nan 4.420 nan 0.000 0.255 382 P C 0.857 177.967 177.300 -0.316 0.000 1.248 382 P CA 0.239 63.213 63.100 -0.209 0.000 0.807 382 P CB 0.041 31.630 31.700 -0.186 0.000 1.150 383 L N 0.510 121.487 121.223 -0.410 0.000 2.417 383 L HA 0.245 4.585 4.340 -0.000 0.000 0.268 383 L C 0.609 177.036 176.870 -0.739 0.000 1.158 383 L CA -0.000 54.499 54.840 -0.568 0.000 0.819 383 L CB 0.323 41.996 42.059 -0.643 0.000 1.112 383 L HN -0.118 nan 8.230 nan 0.000 0.458 384 E N 1.863 121.624 120.200 -0.731 0.000 2.224 384 E HA 0.464 4.814 4.350 -0.000 0.000 0.265 384 E C -1.365 174.894 176.600 -0.569 0.000 0.878 384 E CA -0.510 55.532 56.400 -0.595 0.000 0.759 384 E CB 1.896 31.433 29.700 -0.270 0.000 1.164 384 E HN 0.198 nan 8.360 nan 0.000 0.414 385 F N 0.547 120.494 119.950 -0.006 0.000 2.518 385 F HA 0.275 4.802 4.527 -0.000 0.000 0.338 385 F C 1.049 176.883 175.800 0.056 0.000 1.065 385 F CA -1.081 56.927 58.000 0.014 0.000 1.012 385 F CB 0.649 39.562 39.000 -0.145 0.000 1.297 385 F HN 0.206 nan 8.300 nan 0.000 0.489 386 E N 1.761 122.160 120.200 0.331 0.000 1.791 386 E HA 0.374 4.724 4.350 -0.000 0.000 0.263 386 E C 0.571 177.306 176.600 0.225 0.000 1.213 386 E CA 0.229 56.769 56.400 0.233 0.000 0.991 386 E CB -0.212 29.625 29.700 0.229 0.000 1.068 386 E HN 0.775 nan 8.360 nan 0.000 0.417 387 G N 3.294 112.204 108.800 0.184 0.000 2.782 387 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 387 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 387 G C -0.364 174.665 174.900 0.215 0.000 1.372 387 G CA -0.481 44.728 45.100 0.181 0.000 0.862 387 G HN 0.503 nan 8.290 nan 0.000 0.547 388 D N 0.869 121.398 120.400 0.215 0.000 2.455 388 D HA 0.334 4.974 4.640 -0.000 0.000 0.234 388 D C 2.192 178.691 176.300 0.332 0.000 1.224 388 D CA 0.838 54.984 54.000 0.243 0.000 0.999 388 D CB -0.125 40.792 40.800 0.195 0.000 1.072 388 D HN 0.763 nan 8.370 nan 0.000 0.514 389 T N 0.691 115.466 114.554 0.368 0.000 2.803 389 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 389 T C 1.840 176.991 174.700 0.751 0.000 1.052 389 T CA 1.098 63.520 62.100 0.538 0.000 1.136 389 T CB -0.132 68.837 68.868 0.169 0.000 0.864 389 T HN 0.265 nan 8.240 nan 0.000 0.467 390 A N 1.335 124.478 122.820 0.539 0.000 1.898 390 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 390 A C 2.218 179.926 177.584 0.206 0.000 1.181 390 A CA 1.908 54.045 52.037 0.167 0.000 0.620 390 A CB -1.180 17.692 19.000 -0.213 0.000 0.819 390 A HN 0.730 nan 8.150 nan 0.000 0.442 391 H N -0.247 118.894 119.070 0.118 0.000 2.357 391 H HA -0.091 4.465 4.556 -0.000 0.000 0.301 391 H C 2.122 177.489 175.328 0.066 0.000 1.082 391 H CA 2.138 58.218 56.048 0.053 0.000 1.342 391 H CB -0.216 29.570 29.762 0.039 0.000 1.389 391 H HN 0.580 nan 8.280 nan 0.000 0.511 392 Q N -0.947 118.931 119.800 0.131 0.000 2.077 392 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 392 Q C 2.057 178.020 176.000 -0.062 0.000 0.989 392 Q CA 2.044 57.881 55.803 0.057 0.000 0.853 392 Q CB -0.411 28.497 28.738 0.284 0.000 0.907 392 Q HN 0.676 nan 8.270 nan 0.000 0.418 393 Y N 1.019 121.281 120.300 -0.064 0.000 2.145 393 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 393 Y C 2.141 177.971 175.900 -0.117 0.000 1.145 393 Y CA 1.410 59.411 58.100 -0.165 0.000 1.148 393 Y CB 0.067 38.543 38.460 0.027 0.000 0.981 393 Y HN -0.087 nan 8.280 nan 0.000 0.507 394 R N -0.003 120.302 120.500 -0.325 0.000 2.096 394 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 394 R C 2.503 178.495 176.300 -0.514 0.000 1.127 394 R CA 1.746 57.597 56.100 -0.414 0.000 0.968 394 R CB -0.328 29.841 30.300 -0.219 0.000 0.861 394 R HN 0.386 nan 8.270 nan 0.000 0.440 395 R N 0.450 120.647 120.500 -0.504 0.000 2.080 395 R HA -0.066 4.274 4.340 -0.000 0.000 0.222 395 R C 0.982 177.090 176.300 -0.320 0.000 1.107 395 R CA 1.331 57.155 56.100 -0.460 0.000 0.980 395 R CB 0.226 30.203 30.300 -0.539 0.000 0.879 395 R HN 0.091 nan 8.270 nan 0.000 0.439 396 D N -0.463 119.771 120.400 -0.277 0.000 2.305 396 D HA -0.008 4.632 4.640 -0.000 0.000 0.206 396 D C 1.524 177.731 176.300 -0.155 0.000 0.974 396 D CA 0.704 54.594 54.000 -0.183 0.000 0.871 396 D CB 0.754 41.467 40.800 -0.145 0.000 0.947 396 D HN 0.115 nan 8.370 nan 0.000 0.516 397 V N 0.056 119.821 119.914 -0.247 0.000 3.054 397 V HA -0.011 4.109 4.120 -0.000 0.000 0.227 397 V C 1.785 177.801 176.094 -0.131 0.000 1.252 397 V CA -0.130 62.065 62.300 -0.175 0.000 1.279 397 V CB -0.171 31.544 31.823 -0.181 0.000 1.118 397 V HN -0.045 nan 8.190 nan 0.000 0.504 398 F N 2.451 121.988 119.950 -0.688 0.000 2.043 398 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 398 F C 2.615 178.301 175.800 -0.190 0.000 1.121 398 F CA 2.698 60.387 58.000 -0.518 0.000 1.199 398 F CB -0.609 37.892 39.000 -0.831 0.000 0.968 398 F HN 0.112 nan 8.300 nan 0.000 0.478 399 R N 0.626 120.973 120.500 -0.256 0.000 2.070 399 R HA -0.110 4.230 4.340 -0.000 0.000 0.233 399 R C -0.797 175.498 176.300 -0.008 0.000 1.137 399 R CA 2.003 57.879 56.100 -0.375 0.000 0.945 399 R CB -1.899 28.030 30.300 -0.618 0.000 0.845 399 R HN 0.193 nan 8.270 nan 0.000 0.430 400 P HA -0.116 nan 4.420 nan 0.000 0.215 400 P C 1.078 178.484 177.300 0.177 0.000 1.153 400 P CA 1.228 64.366 63.100 0.064 0.000 0.853 400 P CB -0.248 31.469 31.700 0.028 0.000 0.788 401 F N -1.014 119.024 119.950 0.147 0.000 2.095 401 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 401 F C 1.992 178.051 175.800 0.430 0.000 1.104 401 F CA 1.447 59.607 58.000 0.265 0.000 1.232 401 F CB -0.596 38.602 39.000 0.330 0.000 0.987 401 F HN -0.232 nan 8.300 nan 0.000 0.475 402 F N 1.169 121.282 119.950 0.271 0.000 2.216 402 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 402 F C 2.187 178.090 175.800 0.172 0.000 1.085 402 F CA 1.549 59.684 58.000 0.225 0.000 1.326 402 F CB -1.021 38.189 39.000 0.350 0.000 1.027 402 F HN 0.009 nan 8.300 nan 0.000 0.497 403 D N -0.305 120.278 120.400 0.306 0.000 2.144 403 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 403 D C 2.202 178.476 176.300 -0.043 0.000 0.978 403 D CA 1.098 55.195 54.000 0.161 0.000 0.833 403 D CB -0.357 40.512 40.800 0.116 0.000 0.961 403 D HN 0.379 nan 8.370 nan 0.000 0.470 404 E N -0.590 119.500 120.200 -0.183 0.000 2.097 404 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 404 E C 1.276 177.531 176.600 -0.575 0.000 1.000 404 E CA 1.184 57.306 56.400 -0.464 0.000 0.804 404 E CB -0.072 29.172 29.700 -0.760 0.000 0.740 404 E HN 0.447 nan 8.360 nan 0.000 0.454 405 Y N -0.807 119.373 120.300 -0.200 0.000 2.497 405 Y HA 0.173 4.723 4.550 -0.000 0.000 0.265 405 Y C 1.750 177.546 175.900 -0.173 0.000 1.111 405 Y CA 0.047 58.019 58.100 -0.214 0.000 1.288 405 Y CB 0.481 38.748 38.460 -0.322 0.000 1.082 405 Y HN 0.016 nan 8.280 nan 0.000 0.536 406 L N -0.643 120.564 121.223 -0.027 0.000 2.609 406 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 406 L C 0.132 176.939 176.870 -0.104 0.000 1.087 406 L CA 0.492 55.299 54.840 -0.055 0.000 0.874 406 L CB 0.335 42.398 42.059 0.006 0.000 1.114 406 L HN -0.134 nan 8.230 nan 0.000 0.488 407 K N 1.148 121.493 120.400 -0.091 0.000 2.540 407 K HA 0.324 4.644 4.320 -0.000 0.000 0.218 407 K C -2.476 174.068 176.600 -0.092 0.000 1.017 407 K CA -1.821 54.403 56.287 -0.105 0.000 1.029 407 K CB 1.345 33.790 32.500 -0.092 0.000 1.348 407 K HN -0.227 nan 8.250 nan 0.000 0.508 408 P HA -0.121 nan 4.420 nan 0.000 0.261 408 P C 0.819 178.077 177.300 -0.071 0.000 1.173 408 P CA 1.229 64.282 63.100 -0.078 0.000 0.760 408 P CB 0.612 32.272 31.700 -0.066 0.000 0.783 409 G N 1.499 110.257 108.800 -0.070 0.000 2.213 409 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 409 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 409 G C 0.403 175.265 174.900 -0.064 0.000 0.991 409 G CA -0.049 45.016 45.100 -0.059 0.000 0.629 409 G HN 0.583 nan 8.290 nan 0.000 0.517 410 S N 1.025 116.677 115.700 -0.080 0.000 2.576 410 S HA 0.615 5.085 4.470 -0.000 0.000 0.276 410 S C 0.944 175.489 174.600 -0.092 0.000 1.339 410 S CA 0.200 58.353 58.200 -0.079 0.000 1.039 410 S CB 1.369 64.519 63.200 -0.082 0.000 0.902 410 S HN 1.615 nan 8.310 nan 0.000 0.516 411 A N 2.837 125.614 122.820 -0.071 0.000 2.531 411 A HA 0.341 4.661 4.320 -0.000 0.000 0.236 411 A C 0.621 178.140 177.584 -0.110 0.000 1.062 411 A CA -0.128 51.870 52.037 -0.066 0.000 0.760 411 A CB -0.009 18.967 19.000 -0.039 0.000 0.995 411 A HN 0.673 nan 8.150 nan 0.000 0.501 412 S N -0.512 115.117 115.700 -0.117 0.000 2.610 412 S HA 0.510 4.980 4.470 -0.000 0.000 0.273 412 S C 0.076 174.549 174.600 -0.211 0.000 1.274 412 S CA -0.094 57.978 58.200 -0.214 0.000 1.023 412 S CB 1.145 64.219 63.200 -0.211 0.000 0.962 412 S HN 1.407 nan 8.310 nan 0.000 0.523 413 V N 0.983 120.737 119.914 -0.267 0.000 2.680 413 V HA 0.581 4.701 4.120 -0.000 0.000 0.309 413 V C -0.973 174.970 176.094 -0.252 0.000 1.052 413 V CA -0.697 61.524 62.300 -0.132 0.000 0.908 413 V CB 1.617 33.483 31.823 0.071 0.000 1.001 413 V HN 0.910 nan 8.190 nan 0.000 0.431 414 H N 5.236 124.387 119.070 0.135 0.000 2.632 414 H HA 0.484 5.040 4.556 -0.000 0.000 0.258 414 H C -0.476 174.947 175.328 0.159 0.000 1.278 414 H CA -0.299 55.837 56.048 0.146 0.000 1.352 414 H CB 1.266 31.090 29.762 0.103 0.000 1.418 414 H HN 0.590 nan 8.280 nan 0.000 0.513 415 L N 4.207 125.577 121.223 0.246 0.000 2.417 415 L HA 0.231 4.571 4.340 -0.000 0.000 0.268 415 L C -1.447 175.543 176.870 0.200 0.000 1.158 415 L CA -1.612 53.346 54.840 0.196 0.000 0.819 415 L CB 0.423 42.538 42.059 0.093 0.000 1.112 415 L HN 0.321 nan 8.230 nan 0.000 0.458 416 P HA 0.170 nan 4.420 nan 0.000 0.293 416 P C -0.187 177.226 177.300 0.188 0.000 1.304 416 P CA -0.487 62.729 63.100 0.195 0.000 0.767 416 P CB 0.915 32.737 31.700 0.205 0.000 1.247 417 D N -0.751 119.802 120.400 0.254 0.000 2.116 417 D HA -0.009 4.631 4.640 -0.000 0.000 0.193 417 D C 0.562 176.994 176.300 0.219 0.000 0.998 417 D CA 1.666 55.887 54.000 0.369 0.000 0.836 417 D CB -0.253 40.844 40.800 0.496 0.000 0.951 417 D HN 0.535 nan 8.370 nan 0.000 0.449 418 A N -0.703 122.149 122.820 0.052 0.000 2.520 418 A HA 0.650 4.970 4.320 -0.000 0.000 0.298 418 A C -1.250 176.143 177.584 -0.318 0.000 1.051 418 A CA -0.591 51.281 52.037 -0.276 0.000 0.690 418 A CB 1.343 20.009 19.000 -0.556 0.000 1.281 418 A HN 0.040 nan 8.150 nan 0.000 0.402 419 I N 2.639 122.944 120.570 -0.442 0.000 2.411 419 I HA 0.448 4.618 4.170 -0.000 0.000 0.284 419 I C -1.052 174.865 176.117 -0.334 0.000 1.012 419 I CA -0.106 60.877 61.300 -0.528 0.000 1.119 419 I CB 1.232 38.828 38.000 -0.674 0.000 1.261 419 I HN 0.476 nan 8.210 nan 0.000 0.448 420 I N 5.781 126.184 120.570 -0.278 0.000 2.533 420 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 420 I C -0.780 175.179 176.117 -0.263 0.000 1.056 420 I CA -0.935 60.199 61.300 -0.277 0.000 1.057 420 I CB 2.185 39.924 38.000 -0.435 0.000 1.240 420 I HN 0.400 nan 8.210 nan 0.000 0.423 421 Y N 6.047 125.943 120.300 -0.672 0.000 2.425 421 Y HA 0.114 4.664 4.550 -0.000 0.000 0.331 421 Y C 0.477 176.024 175.900 -0.588 0.000 1.157 421 Y CA 0.286 57.797 58.100 -0.982 0.000 1.372 421 Y CB 0.579 38.128 38.460 -1.518 0.000 1.253 421 Y HN 0.508 nan 8.280 nan 0.000 0.536 422 N N 3.711 121.848 118.700 -0.939 0.000 2.462 422 N HA 0.018 4.758 4.740 -0.000 0.000 0.242 422 N C 0.458 175.657 175.510 -0.518 0.000 1.010 422 N CA 0.312 53.026 53.050 -0.560 0.000 0.939 422 N CB 1.097 39.322 38.487 -0.437 0.000 1.127 422 N HN 0.882 nan 8.380 nan 0.000 0.509 423 T N -0.182 114.274 114.554 -0.163 0.000 3.155 423 T HA 0.037 4.387 4.350 -0.000 0.000 0.264 423 T C 1.409 176.169 174.700 0.099 0.000 1.160 423 T CA 0.725 62.909 62.100 0.140 0.000 1.075 423 T CB 0.149 69.175 68.868 0.263 0.000 0.921 423 T HN 0.432 nan 8.240 nan 0.000 0.533 424 G N 1.016 109.680 108.800 -0.228 0.000 2.763 424 G HA2 0.080 4.040 3.960 -0.000 0.000 0.205 424 G HA3 0.080 4.040 3.960 -0.000 0.000 0.205 424 G C 1.104 175.852 174.900 -0.252 0.000 1.137 424 G CA 0.033 44.886 45.100 -0.412 0.000 0.839 424 G HN 0.386 nan 8.290 nan 0.000 0.596 425 D N 0.682 120.927 120.400 -0.258 0.000 2.347 425 D HA 0.066 4.706 4.640 -0.000 0.000 0.215 425 D C 0.548 176.722 176.300 -0.211 0.000 0.976 425 D CA 0.305 54.181 54.000 -0.205 0.000 0.884 425 D CB 0.119 40.798 40.800 -0.201 0.000 0.915 425 D HN 0.112 nan 8.370 nan 0.000 0.526 426 Q N -0.378 119.246 119.800 -0.294 0.000 2.459 426 Q HA -0.220 4.120 4.340 -0.000 0.000 0.322 426 Q C -0.389 175.372 176.000 -0.397 0.000 1.427 426 Q CA 0.885 56.523 55.803 -0.274 0.000 0.861 426 Q CB -1.968 26.785 28.738 0.024 0.000 1.137 426 Q HN 0.575 nan 8.270 nan 0.000 0.394 427 K N -2.565 117.353 120.400 -0.803 0.000 2.578 427 K HA 0.637 4.957 4.320 -0.000 0.000 0.287 427 K C -1.214 174.965 176.600 -0.702 0.000 1.010 427 K CA -1.046 54.936 56.287 -0.508 0.000 0.889 427 K CB 0.775 33.153 32.500 -0.203 0.000 1.514 427 K HN -0.025 nan 8.250 nan 0.000 0.424 428 W N 1.372 122.553 121.300 -0.198 0.000 2.272 428 W HA 0.308 4.968 4.660 -0.000 0.000 0.318 428 W C -0.529 175.888 176.519 -0.170 0.000 1.255 428 W CA 0.275 57.529 57.345 -0.151 0.000 1.200 428 W CB 1.022 30.504 29.460 0.038 0.000 1.170 428 W HN 0.378 nan 8.180 nan 0.000 0.549 429 D N 2.064 122.419 120.400 -0.075 0.000 2.278 429 D HA 0.199 4.839 4.640 -0.000 0.000 0.245 429 D C -1.325 174.726 176.300 -0.415 0.000 1.052 429 D CA -0.647 53.159 54.000 -0.324 0.000 0.834 429 D CB 1.167 41.545 40.800 -0.703 0.000 1.194 429 D HN 0.237 nan 8.370 nan 0.000 0.481 430 Y N 1.550 121.605 120.300 -0.408 0.000 2.369 430 Y HA 0.260 4.810 4.550 -0.000 0.000 0.337 430 Y C -0.320 175.413 175.900 -0.279 0.000 0.961 430 Y CA -0.786 57.157 58.100 -0.263 0.000 1.186 430 Y CB 0.804 39.196 38.460 -0.115 0.000 1.139 430 Y HN 0.276 nan 8.280 nan 0.000 0.494 431 Y N 3.574 123.913 120.300 0.065 0.000 2.491 431 Y HA 0.269 4.819 4.550 -0.000 0.000 0.334 431 Y C 1.453 177.452 175.900 0.165 0.000 0.969 431 Y CA -0.781 57.392 58.100 0.122 0.000 1.241 431 Y CB 1.005 39.552 38.460 0.146 0.000 1.105 431 Y HN 0.638 nan 8.280 nan 0.000 0.503 432 R N 1.257 121.944 120.500 0.311 0.000 2.112 432 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 432 R C -0.161 176.296 176.300 0.261 0.000 1.137 432 R CA 1.489 57.734 56.100 0.243 0.000 0.944 432 R CB 0.060 30.473 30.300 0.188 0.000 0.857 432 R HN 0.467 nan 8.270 nan 0.000 0.435 433 S N -1.229 114.636 115.700 0.274 0.000 2.519 433 S HA 0.379 4.849 4.470 -0.000 0.000 0.309 433 S C -1.800 172.992 174.600 0.321 0.000 1.100 433 S CA -0.604 57.745 58.200 0.249 0.000 1.059 433 S CB 1.741 65.027 63.200 0.142 0.000 1.008 433 S HN 0.371 nan 8.310 nan 0.000 0.478 434 W N 4.925 126.308 121.300 0.138 0.000 3.274 434 W HA 0.531 5.191 4.660 -0.000 0.000 0.327 434 W C -3.001 173.622 176.519 0.174 0.000 1.172 434 W CA -1.602 55.787 57.345 0.074 0.000 1.217 434 W CB 1.238 30.735 29.460 0.062 0.000 1.376 434 W HN 0.398 nan 8.180 nan 0.000 0.507 435 P HA 0.219 nan 4.420 nan 0.000 0.278 435 P C 0.295 177.270 177.300 -0.541 0.000 1.258 435 P CA -0.165 62.133 63.100 -1.337 0.000 0.811 435 P CB 1.617 32.483 31.700 -1.389 0.000 1.063 436 S N -0.577 114.855 115.700 -0.447 0.000 2.524 436 S HA 0.177 4.647 4.470 -0.000 0.000 0.216 436 S C 0.539 175.022 174.600 -0.195 0.000 0.987 436 S CA 0.123 58.190 58.200 -0.223 0.000 0.909 436 S CB -0.712 62.400 63.200 -0.146 0.000 0.781 436 S HN 0.392 nan 8.310 nan 0.000 0.521 437 V N -0.388 119.374 119.914 -0.254 0.000 2.760 437 V HA 0.899 5.019 4.120 -0.000 0.000 0.309 437 V C -0.316 175.652 176.094 -0.210 0.000 1.077 437 V CA -0.827 61.363 62.300 -0.184 0.000 0.910 437 V CB 0.459 32.199 31.823 -0.138 0.000 1.008 437 V HN 0.852 nan 8.190 nan 0.000 0.424 438 C N 1.612 120.823 119.300 -0.148 0.000 3.260 438 C HA 0.575 5.035 4.460 -0.000 0.000 0.366 438 C C 1.033 175.979 174.990 -0.073 0.000 1.537 438 C CA 0.013 58.952 59.018 -0.132 0.000 1.160 438 C CB 1.203 28.845 27.740 -0.163 0.000 1.760 438 C HN 0.955 nan 8.230 nan 0.000 0.432 439 E N 1.133 121.307 120.200 -0.043 0.000 2.150 439 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 439 E C 0.678 177.271 176.600 -0.012 0.000 0.985 439 E CA 1.754 58.151 56.400 -0.004 0.000 0.814 439 E CB 0.111 29.837 29.700 0.044 0.000 0.752 439 E HN 0.854 nan 8.360 nan 0.000 0.466 440 S N -1.242 114.441 115.700 -0.027 0.000 2.547 440 S HA 0.271 4.741 4.470 -0.000 0.000 0.270 440 S C -0.463 174.113 174.600 -0.041 0.000 1.150 440 S CA -0.791 57.394 58.200 -0.026 0.000 0.850 440 S CB 1.197 64.389 63.200 -0.013 0.000 1.118 440 S HN 0.298 nan 8.310 nan 0.000 0.461 441 N N -0.645 118.033 118.700 -0.037 0.000 2.754 441 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 441 N C -0.624 174.852 175.510 -0.056 0.000 1.093 441 N CA 0.728 53.753 53.050 -0.042 0.000 0.699 441 N CB -1.733 36.730 38.487 -0.040 0.000 1.016 441 N HN 0.688 nan 8.380 nan 0.000 0.552 442 C N -1.516 117.747 119.300 -0.061 0.000 2.848 442 C HA 0.345 4.805 4.460 -0.000 0.000 0.317 442 C C 2.268 177.223 174.990 -0.058 0.000 1.260 442 C CA -0.465 58.507 59.018 -0.077 0.000 1.656 442 C CB 1.606 29.279 27.740 -0.111 0.000 2.174 442 C HN 0.422 nan 8.230 nan 0.000 0.479 443 T N 0.868 115.387 114.554 -0.059 0.000 2.699 443 T HA 0.035 4.385 4.350 -0.000 0.000 0.268 443 T C 0.763 175.437 174.700 -0.043 0.000 1.036 443 T CA 1.871 63.946 62.100 -0.042 0.000 1.147 443 T CB -0.247 68.599 68.868 -0.037 0.000 0.862 443 T HN 0.931 nan 8.240 nan 0.000 0.446 444 G N -0.931 107.834 108.800 -0.058 0.000 2.818 444 G HA2 0.626 4.586 3.960 -0.000 0.000 0.286 444 G HA3 0.626 4.586 3.960 -0.000 0.000 0.286 444 G C -0.558 174.308 174.900 -0.057 0.000 1.364 444 G CA -0.327 44.742 45.100 -0.051 0.000 0.938 444 G HN 0.417 nan 8.290 nan 0.000 0.490 445 G N -1.339 107.435 108.800 -0.043 0.000 2.597 445 G HA2 0.551 4.511 3.960 -0.000 0.000 0.317 445 G HA3 0.551 4.511 3.960 -0.000 0.000 0.317 445 G C -0.808 174.068 174.900 -0.039 0.000 1.230 445 G CA -0.650 44.427 45.100 -0.037 0.000 0.996 445 G HN 0.455 nan 8.290 nan 0.000 0.490 446 L N -0.086 121.118 121.223 -0.032 0.000 2.464 446 L HA 0.385 4.725 4.340 -0.000 0.000 0.264 446 L C 0.937 177.801 176.870 -0.010 0.000 1.199 446 L CA 0.172 54.995 54.840 -0.029 0.000 0.818 446 L CB 1.153 43.193 42.059 -0.032 0.000 1.102 446 L HN 0.353 nan 8.230 nan 0.000 0.473 447 T N 3.291 117.846 114.554 0.002 0.000 2.809 447 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 447 T C -2.490 172.230 174.700 0.033 0.000 1.015 447 T CA -1.171 60.952 62.100 0.037 0.000 0.954 447 T CB 1.353 70.244 68.868 0.039 0.000 0.950 447 T HN 0.293 nan 8.240 nan 0.000 0.450 448 P HA 0.249 nan 4.420 nan 0.000 0.271 448 P C -0.795 176.244 177.300 -0.436 0.000 1.220 448 P CA -0.729 62.161 63.100 -0.349 0.000 0.768 448 P CB 0.494 31.801 31.700 -0.655 0.000 0.848 449 L N 5.845 126.782 121.223 -0.478 0.000 2.297 449 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 449 L C -1.173 175.397 176.870 -0.500 0.000 1.040 449 L CA -0.852 53.640 54.840 -0.579 0.000 0.867 449 L CB -0.649 41.068 42.059 -0.570 0.000 1.244 449 L HN 0.198 nan 8.230 nan 0.000 0.433 450 Y N 4.178 124.320 120.300 -0.263 0.000 2.346 450 Y HA 0.327 4.877 4.550 -0.000 0.000 0.330 450 Y C 0.282 176.016 175.900 -0.277 0.000 1.178 450 Y CA -0.351 57.602 58.100 -0.244 0.000 1.331 450 Y CB 0.574 38.893 38.460 -0.235 0.000 1.253 450 Y HN 0.373 nan 8.280 nan 0.000 0.529 451 L N 2.738 123.871 121.223 -0.151 0.000 2.439 451 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 451 L C 0.347 177.058 176.870 -0.265 0.000 1.179 451 L CA 0.228 54.843 54.840 -0.376 0.000 0.828 451 L CB 0.229 41.889 42.059 -0.665 0.000 1.106 451 L HN 0.848 nan 8.230 nan 0.000 0.467 452 A N 1.593 124.222 122.820 -0.318 0.000 2.583 452 A HA 0.564 4.884 4.320 -0.000 0.000 0.289 452 A C -1.015 176.279 177.584 -0.485 0.000 1.151 452 A CA -0.742 51.092 52.037 -0.338 0.000 0.695 452 A CB 0.418 19.337 19.000 -0.135 0.000 1.290 452 A HN 0.598 nan 8.150 nan 0.000 0.419 453 D N -0.336 119.858 120.400 -0.343 0.000 2.390 453 D HA 0.389 5.029 4.640 -0.000 0.000 0.236 453 D C 1.320 177.547 176.300 -0.122 0.000 1.189 453 D CA 2.229 56.104 54.000 -0.209 0.000 0.887 453 D CB 0.288 41.068 40.800 -0.032 0.000 1.198 453 D HN 1.558 nan 8.370 nan 0.000 0.444 454 G N 1.553 110.304 108.800 -0.081 0.000 2.249 454 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.273 454 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.273 454 G C 0.098 175.038 174.900 0.067 0.000 1.036 454 G CA 0.634 45.746 45.100 0.020 0.000 0.824 454 G HN 0.889 nan 8.290 nan 0.000 0.504 455 H N -2.366 116.656 119.070 -0.080 0.000 2.626 455 H HA -0.074 4.482 4.556 -0.000 0.000 0.317 455 H C 1.451 176.795 175.328 0.026 0.000 1.140 455 H CA 1.985 57.945 56.048 -0.146 0.000 1.134 455 H CB -1.243 28.334 29.762 -0.308 0.000 1.486 455 H HN 1.288 nan 8.280 nan 0.000 0.417 456 G N -0.569 108.314 108.800 0.138 0.000 2.552 456 G HA2 0.707 4.667 3.960 -0.000 0.000 0.324 456 G HA3 0.707 4.667 3.960 -0.000 0.000 0.324 456 G C -0.714 174.218 174.900 0.053 0.000 1.217 456 G CA -0.946 44.200 45.100 0.077 0.000 0.989 456 G HN 0.174 nan 8.290 nan 0.000 0.490 457 L N 0.171 121.378 121.223 -0.026 0.000 2.408 457 L HA 0.687 5.027 4.340 -0.000 0.000 0.268 457 L C -0.308 176.468 176.870 -0.156 0.000 0.986 457 L CA -0.737 54.029 54.840 -0.123 0.000 0.820 457 L CB 2.397 44.358 42.059 -0.164 0.000 1.303 457 L HN 0.613 nan 8.230 nan 0.000 0.411 458 S N 0.713 116.305 115.700 -0.181 0.000 2.537 458 S HA 0.496 4.966 4.470 -0.000 0.000 0.270 458 S C -0.019 174.517 174.600 -0.106 0.000 1.142 458 S CA -0.495 57.629 58.200 -0.126 0.000 0.870 458 S CB 1.041 64.239 63.200 -0.002 0.000 1.112 458 S HN 0.462 nan 8.310 nan 0.000 0.466 459 F N 1.773 121.773 119.950 0.083 0.000 2.661 459 F HA 0.138 4.665 4.527 -0.000 0.000 0.298 459 F C 1.493 177.428 175.800 0.224 0.000 1.137 459 F CA 0.379 58.445 58.000 0.110 0.000 1.454 459 F CB 0.269 39.295 39.000 0.045 0.000 1.103 459 F HN 0.391 nan 8.300 nan 0.000 0.577 460 T N -0.769 113.967 114.554 0.304 0.000 2.771 460 T HA 0.049 4.399 4.350 -0.000 0.000 0.291 460 T C -0.507 174.237 174.700 0.074 0.000 0.954 460 T CA -0.388 61.830 62.100 0.197 0.000 1.045 460 T CB 0.261 69.195 68.868 0.110 0.000 0.917 460 T HN 0.129 nan 8.240 nan 0.000 0.484 461 H N 4.865 123.798 119.070 -0.229 0.000 3.026 461 H HA 0.208 4.764 4.556 -0.000 0.000 0.289 461 H C -2.164 172.917 175.328 -0.412 0.000 1.022 461 H CA -1.508 54.056 56.048 -0.807 0.000 1.477 461 H CB 0.349 29.717 29.762 -0.657 0.000 1.510 461 H HN 0.283 nan 8.280 nan 0.000 0.535 462 P HA 0.077 nan 4.420 nan 0.000 0.276 462 P C -0.083 177.260 177.300 0.072 0.000 1.253 462 P CA -0.113 62.961 63.100 -0.043 0.000 0.766 462 P CB 1.419 33.084 31.700 -0.058 0.000 0.845 463 A N 3.916 126.751 122.820 0.026 0.000 1.873 463 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 463 A C 1.222 178.802 177.584 -0.006 0.000 1.186 463 A CA 1.360 53.393 52.037 -0.008 0.000 0.616 463 A CB -1.076 17.901 19.000 -0.038 0.000 0.823 463 A HN 0.606 nan 8.150 nan 0.000 0.442 464 A N 0.718 123.535 122.820 -0.005 0.000 2.388 464 A HA 0.432 4.752 4.320 -0.000 0.000 0.257 464 A C -0.336 177.231 177.584 -0.028 0.000 1.095 464 A CA -0.493 51.536 52.037 -0.013 0.000 0.791 464 A CB 0.089 19.083 19.000 -0.010 0.000 1.029 464 A HN 0.484 nan 8.150 nan 0.000 0.489 465 D N 0.387 120.760 120.400 -0.044 0.000 2.344 465 D HA 0.510 5.150 4.640 -0.000 0.000 0.244 465 D C 0.431 176.555 176.300 -0.293 0.000 1.134 465 D CA 1.194 55.133 54.000 -0.102 0.000 0.930 465 D CB 1.580 42.412 40.800 0.054 0.000 1.175 465 D HN 0.802 nan 8.370 nan 0.000 0.437 466 G N -1.205 107.139 108.800 -0.759 0.000 2.506 466 G HA2 0.594 4.554 3.960 -0.000 0.000 0.292 466 G HA3 0.594 4.554 3.960 -0.000 0.000 0.292 466 G C -2.049 172.079 174.900 -1.287 0.000 1.425 466 G CA -0.232 44.350 45.100 -0.864 0.000 0.788 466 G HN 0.623 nan 8.290 nan 0.000 0.490 467 A N 0.081 122.507 122.820 -0.658 0.000 2.594 467 A HA 0.729 5.049 4.320 -0.000 0.000 0.296 467 A C -2.020 175.582 177.584 0.031 0.000 1.061 467 A CA -0.666 51.197 52.037 -0.290 0.000 0.689 467 A CB 1.846 20.760 19.000 -0.143 0.000 1.280 467 A HN 0.514 nan 8.150 nan 0.000 0.406 468 D N 1.166 121.668 120.400 0.170 0.000 2.350 468 D HA 0.668 5.308 4.640 -0.000 0.000 0.245 468 D C -0.444 175.992 176.300 0.227 0.000 1.036 468 D CA 0.018 54.134 54.000 0.193 0.000 0.848 468 D CB 2.145 43.058 40.800 0.188 0.000 1.307 468 D HN 0.408 nan 8.370 nan 0.000 0.469 469 S N 0.850 116.670 115.700 0.201 0.000 2.568 469 S HA 0.728 5.198 4.470 -0.000 0.000 0.302 469 S C -0.802 173.956 174.600 0.262 0.000 1.082 469 S CA -0.846 57.458 58.200 0.172 0.000 1.009 469 S CB 1.308 64.566 63.200 0.096 0.000 1.069 469 S HN 0.499 nan 8.310 nan 0.000 0.500 470 Y N -1.896 118.485 120.300 0.136 0.000 2.571 470 Y HA 0.762 5.312 4.550 -0.000 0.000 0.341 470 Y C -1.517 174.444 175.900 0.103 0.000 1.076 470 Y CA -1.422 56.745 58.100 0.111 0.000 1.029 470 Y CB 0.409 38.940 38.460 0.117 0.000 1.308 470 Y HN 0.336 nan 8.280 nan 0.000 0.461 471 V N 2.664 122.685 119.914 0.179 0.000 2.439 471 V HA 0.489 4.609 4.120 -0.000 0.000 0.282 471 V C -0.166 176.032 176.094 0.174 0.000 1.039 471 V CA -0.422 61.932 62.300 0.091 0.000 0.913 471 V CB 1.386 33.260 31.823 0.085 0.000 0.983 471 V HN 0.832 nan 8.190 nan 0.000 0.460 472 S N 3.251 119.010 115.700 0.098 0.000 2.448 472 S HA 0.352 4.822 4.470 -0.000 0.000 0.320 472 S C -0.793 173.863 174.600 0.093 0.000 1.071 472 S CA -0.635 57.645 58.200 0.132 0.000 1.113 472 S CB 0.613 63.862 63.200 0.082 0.000 0.972 472 S HN 0.817 nan 8.310 nan 0.000 0.465 473 D N 5.437 125.909 120.400 0.119 0.000 2.441 473 D HA 0.459 5.098 4.640 -0.000 0.000 0.231 473 D C -1.787 174.564 176.300 0.086 0.000 1.073 473 D CA -2.276 51.794 54.000 0.118 0.000 0.850 473 D CB 1.892 42.801 40.800 0.181 0.000 1.062 473 D HN 0.224 nan 8.370 nan 0.000 0.524 474 P HA -0.068 nan 4.420 nan 0.000 0.223 474 P C 0.771 177.970 177.300 -0.168 0.000 1.144 474 P CA 0.761 63.850 63.100 -0.017 0.000 0.783 474 P CB 0.278 32.046 31.700 0.113 0.000 0.771 475 A N -1.651 121.075 122.820 -0.157 0.000 2.167 475 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 475 A C 0.421 177.683 177.584 -0.536 0.000 1.151 475 A CA 0.942 52.768 52.037 -0.352 0.000 0.735 475 A CB -0.993 17.803 19.000 -0.340 0.000 0.802 475 A HN 0.282 nan 8.150 nan 0.000 0.467 476 H N -0.455 118.603 119.070 -0.020 0.000 2.511 476 H HA 0.255 4.811 4.556 -0.000 0.000 0.228 476 H C -2.810 172.568 175.328 0.084 0.000 1.424 476 H CA -1.551 54.537 56.048 0.066 0.000 1.321 476 H CB 0.653 30.460 29.762 0.075 0.000 1.720 476 H HN 0.278 nan 8.280 nan 0.000 0.512 477 P HA 0.016 nan 4.420 nan 0.000 0.274 477 P C 0.177 177.668 177.300 0.319 0.000 1.231 477 P CA -0.337 62.818 63.100 0.091 0.000 0.790 477 P CB 1.678 33.245 31.700 -0.221 0.000 0.951 478 V N 3.938 124.036 119.914 0.307 0.000 2.521 478 V HA 0.095 4.215 4.120 -0.000 0.000 0.286 478 V C -1.901 174.473 176.094 0.468 0.000 1.034 478 V CA -1.242 61.256 62.300 0.330 0.000 1.045 478 V CB -0.098 31.881 31.823 0.259 0.000 0.974 478 V HN 0.562 nan 8.190 nan 0.000 0.480 479 P HA 0.095 nan 4.420 nan 0.000 0.271 479 P C 0.433 177.909 177.300 0.294 0.000 1.216 479 P CA -0.247 63.074 63.100 0.368 0.000 0.771 479 P CB 0.358 32.109 31.700 0.085 0.000 0.864 480 F N 4.511 124.475 119.950 0.023 0.000 2.325 480 F HA 0.125 4.652 4.527 -0.000 0.000 0.299 480 F C 0.593 176.268 175.800 -0.209 0.000 1.090 480 F CA 0.348 58.229 58.000 -0.198 0.000 1.392 480 F CB -0.559 37.906 39.000 -0.892 0.000 1.053 480 F HN 0.132 nan 8.300 nan 0.000 0.521 481 I N -2.640 117.330 120.570 -0.999 0.000 2.994 481 I HA 0.502 4.672 4.170 -0.000 0.000 0.306 481 I C -0.314 175.530 176.117 -0.454 0.000 1.195 481 I CA -1.425 59.429 61.300 -0.744 0.000 1.001 481 I CB 1.774 39.166 38.000 -1.014 0.000 1.244 481 I HN -0.271 nan 8.210 nan 0.000 0.437 482 S N 2.464 118.000 115.700 -0.274 0.000 2.558 482 S HA 0.134 4.604 4.470 -0.000 0.000 0.293 482 S C 0.252 174.758 174.600 -0.157 0.000 1.292 482 S CA -0.313 57.782 58.200 -0.175 0.000 1.063 482 S CB -0.044 63.081 63.200 -0.125 0.000 0.831 482 S HN 0.468 nan 8.310 nan 0.000 0.499 483 R N 2.804 123.221 120.500 -0.138 0.000 2.641 483 R HA 0.298 4.638 4.340 -0.000 0.000 0.269 483 R C -1.975 174.290 176.300 -0.059 0.000 1.074 483 R CA -1.181 54.860 56.100 -0.100 0.000 1.133 483 R CB -0.199 29.992 30.300 -0.183 0.000 1.029 483 R HN 0.451 nan 8.270 nan 0.000 0.488 484 P HA 0.248 nan 4.420 nan 0.000 0.282 484 P C -1.340 176.003 177.300 0.072 0.000 1.259 484 P CA -0.282 62.826 63.100 0.012 0.000 0.826 484 P CB 0.766 32.468 31.700 0.004 0.000 1.064 485 F N 0.577 120.465 119.950 -0.103 0.000 2.596 485 F HA 0.635 5.162 4.527 -0.000 0.000 0.311 485 F C -1.757 173.935 175.800 -0.179 0.000 1.116 485 F CA -0.623 57.280 58.000 -0.160 0.000 0.957 485 F CB 1.786 40.633 39.000 -0.254 0.000 1.250 485 F HN 0.543 nan 8.300 nan 0.000 0.444 486 A N 5.070 127.189 122.820 -1.168 0.000 2.365 486 A HA 0.564 4.884 4.320 -0.000 0.000 0.318 486 A C -0.385 176.282 177.584 -1.528 0.000 1.091 486 A CA -0.614 50.822 52.037 -1.001 0.000 0.763 486 A CB 0.520 19.265 19.000 -0.425 0.000 1.248 486 A HN 0.855 nan 8.150 nan 0.000 0.442 487 F N 1.507 120.935 119.950 -0.871 0.000 2.333 487 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 487 F C 2.540 178.098 175.800 -0.403 0.000 1.083 487 F CA 1.738 59.364 58.000 -0.625 0.000 1.395 487 F CB 0.026 38.754 39.000 -0.453 0.000 1.056 487 F HN 0.656 nan 8.300 nan 0.000 0.529 488 A N -0.559 122.157 122.820 -0.174 0.000 2.015 488 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 488 A C 1.298 178.839 177.584 -0.071 0.000 1.163 488 A CA 0.577 52.558 52.037 -0.093 0.000 0.646 488 A CB -0.623 18.332 19.000 -0.075 0.000 0.806 488 A HN 0.368 nan 8.150 nan 0.000 0.448 489 Q N 0.877 120.599 119.800 -0.130 0.000 2.641 489 Q HA 0.205 4.545 4.340 -0.000 0.000 0.225 489 Q C 0.729 176.832 176.000 0.172 0.000 1.309 489 Q CA -0.221 55.582 55.803 -0.001 0.000 0.935 489 Q CB 0.232 28.953 28.738 -0.027 0.000 1.557 489 Q HN 0.524 nan 8.270 nan 0.000 0.563 490 S N 0.527 116.318 115.700 0.152 0.000 2.382 490 S HA -0.190 4.279 4.470 -0.000 0.000 0.228 490 S C 2.038 176.779 174.600 0.235 0.000 1.027 490 S CA 1.479 59.821 58.200 0.236 0.000 0.991 490 S CB -0.032 63.255 63.200 0.145 0.000 0.823 490 S HN 0.768 nan 8.310 nan 0.000 0.469 491 S N 1.884 117.672 115.700 0.147 0.000 2.419 491 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 491 S C 1.694 176.374 174.600 0.133 0.000 1.016 491 S CA 0.699 58.963 58.200 0.107 0.000 0.974 491 S CB -0.264 62.973 63.200 0.062 0.000 0.786 491 S HN 0.459 nan 8.310 nan 0.000 0.492 492 R N -0.975 119.650 120.500 0.207 0.000 2.206 492 R HA 0.169 4.509 4.340 -0.000 0.000 0.198 492 R C 2.062 178.532 176.300 0.282 0.000 0.986 492 R CA 0.538 56.763 56.100 0.208 0.000 1.029 492 R CB -0.245 30.200 30.300 0.241 0.000 0.966 492 R HN 0.676 nan 8.270 nan 0.000 0.487 493 W N 2.717 124.158 121.300 0.235 0.000 2.441 493 W HA -0.097 4.563 4.660 -0.000 0.000 0.302 493 W C 1.097 177.792 176.519 0.294 0.000 1.191 493 W CA 1.045 58.556 57.345 0.276 0.000 1.327 493 W CB 0.052 29.717 29.460 0.341 0.000 1.128 493 W HN -0.083 nan 8.180 nan 0.000 0.522 494 K N 0.178 120.646 120.400 0.113 0.000 2.034 494 K HA -0.195 4.125 4.320 -0.000 0.000 0.214 494 K C -1.040 175.493 176.600 -0.110 0.000 1.051 494 K CA 2.105 58.368 56.287 -0.040 0.000 0.931 494 K CB -1.528 31.017 32.500 0.074 0.000 0.715 494 K HN 0.143 nan 8.250 nan 0.000 0.446 495 P HA -0.035 nan 4.420 nan 0.000 0.254 495 P C 0.357 177.581 177.300 -0.128 0.000 1.620 495 P CA -0.134 62.899 63.100 -0.111 0.000 1.050 495 P CB -0.582 31.073 31.700 -0.074 0.000 1.539 496 W N 0.251 121.387 121.300 -0.274 0.000 2.363 496 W HA -0.103 4.557 4.660 -0.000 0.000 0.296 496 W C 0.622 177.022 176.519 -0.198 0.000 1.212 496 W CA 0.239 57.420 57.345 -0.274 0.000 1.260 496 W CB -1.462 27.798 29.460 -0.334 0.000 1.131 496 W HN -0.151 nan 8.180 nan 0.000 0.530 497 L N 2.029 122.756 121.223 -0.827 0.000 2.456 497 L HA -0.155 4.185 4.340 -0.000 0.000 0.224 497 L C 2.259 178.888 176.870 -0.401 0.000 1.148 497 L CA 1.141 55.523 54.840 -0.763 0.000 0.825 497 L CB -0.558 41.136 42.059 -0.608 0.000 0.937 497 L HN 0.018 nan 8.230 nan 0.000 0.450 498 V N -4.890 114.767 119.914 -0.429 0.000 3.483 498 V HA 0.173 4.293 4.120 -0.000 0.000 0.301 498 V C 0.892 176.939 176.094 -0.078 0.000 1.389 498 V CA -0.402 61.647 62.300 -0.420 0.000 1.101 498 V CB -0.243 31.155 31.823 -0.708 0.000 0.971 498 V HN 0.143 nan 8.190 nan 0.000 0.434 499 Q N 1.743 121.525 119.800 -0.031 0.000 2.373 499 Q HA 0.243 4.583 4.340 -0.000 0.000 0.255 499 Q C -0.252 175.718 176.000 -0.049 0.000 0.980 499 Q CA 0.037 55.855 55.803 0.025 0.000 0.882 499 Q CB 0.903 29.640 28.738 -0.002 0.000 1.249 499 Q HN 0.506 nan 8.270 nan 0.000 0.438 500 D N 1.497 121.708 120.400 -0.315 0.000 2.493 500 D HA -0.077 4.563 4.640 -0.000 0.000 0.240 500 D C 0.240 176.391 176.300 -0.248 0.000 1.142 500 D CA 0.303 53.910 54.000 -0.655 0.000 0.872 500 D CB 0.761 41.025 40.800 -0.893 0.000 1.173 500 D HN 0.206 nan 8.370 nan 0.000 0.467 501 Q N 3.340 123.045 119.800 -0.158 0.000 2.280 501 Q HA 0.085 4.425 4.340 -0.000 0.000 0.202 501 Q C 1.428 177.395 176.000 -0.055 0.000 0.903 501 Q CA -0.021 55.761 55.803 -0.034 0.000 0.948 501 Q CB 0.216 28.981 28.738 0.046 0.000 1.058 501 Q HN 0.494 nan 8.270 nan 0.000 0.493 502 R N 0.687 121.118 120.500 -0.115 0.000 2.152 502 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 502 R C 1.972 178.234 176.300 -0.064 0.000 1.117 502 R CA 1.100 57.146 56.100 -0.090 0.000 0.981 502 R CB 0.136 30.369 30.300 -0.111 0.000 0.870 502 R HN 0.375 nan 8.270 nan 0.000 0.451 503 E N 0.565 120.728 120.200 -0.061 0.000 2.051 503 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 503 E C 1.889 178.478 176.600 -0.019 0.000 0.991 503 E CA 1.180 57.555 56.400 -0.042 0.000 0.799 503 E CB -0.015 29.659 29.700 -0.043 0.000 0.748 503 E HN 0.349 nan 8.360 nan 0.000 0.449 504 A N 1.450 124.272 122.820 0.002 0.000 1.883 504 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 504 A C 2.100 179.675 177.584 -0.015 0.000 1.186 504 A CA 1.795 53.844 52.037 0.020 0.000 0.624 504 A CB -0.741 18.295 19.000 0.060 0.000 0.822 504 A HN 0.481 nan 8.150 nan 0.000 0.444 505 E N 0.469 120.652 120.200 -0.028 0.000 2.097 505 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 505 E C 2.033 178.596 176.600 -0.062 0.000 1.000 505 E CA 1.756 58.126 56.400 -0.051 0.000 0.804 505 E CB -0.158 29.511 29.700 -0.052 0.000 0.740 505 E HN 0.733 nan 8.360 nan 0.000 0.454 506 S N -0.096 115.573 115.700 -0.051 0.000 2.547 506 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 506 S C 0.812 175.387 174.600 -0.042 0.000 0.980 506 S CA 0.036 58.206 58.200 -0.050 0.000 0.941 506 S CB -0.166 63.009 63.200 -0.043 0.000 0.763 506 S HN 0.114 nan 8.310 nan 0.000 0.532 507 R N 1.772 122.252 120.500 -0.034 0.000 2.457 507 R HA 0.348 4.688 4.340 -0.000 0.000 0.284 507 R C -1.857 174.430 176.300 -0.021 0.000 1.024 507 R CA -2.048 54.041 56.100 -0.019 0.000 1.025 507 R CB 0.359 30.660 30.300 0.001 0.000 1.063 507 R HN 0.121 nan 8.270 nan 0.000 0.493 508 P HA -0.055 nan 4.420 nan 0.000 0.241 508 P C -0.377 176.970 177.300 0.080 0.000 1.191 508 P CA 0.810 63.926 63.100 0.028 0.000 0.771 508 P CB 0.223 31.942 31.700 0.032 0.000 0.929 509 D N -0.571 119.870 120.400 0.068 0.000 2.491 509 D HA 0.133 4.773 4.640 -0.000 0.000 0.228 509 D C -0.136 176.102 176.300 -0.105 0.000 1.183 509 D CA -0.762 53.315 54.000 0.129 0.000 0.827 509 D CB -0.245 40.654 40.800 0.166 0.000 0.989 509 D HN -0.058 nan 8.370 nan 0.000 0.494 510 V N 0.566 120.364 119.914 -0.194 0.000 2.668 510 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 510 V C -0.260 175.677 176.094 -0.262 0.000 1.071 510 V CA -1.214 60.903 62.300 -0.305 0.000 0.894 510 V CB 2.262 34.004 31.823 -0.135 0.000 1.008 510 V HN 0.172 nan 8.190 nan 0.000 0.425 511 V N 1.445 121.179 119.914 -0.301 0.000 2.398 511 V HA 0.829 4.949 4.120 -0.000 0.000 0.286 511 V C -0.072 175.982 176.094 -0.067 0.000 1.026 511 V CA -0.144 62.092 62.300 -0.105 0.000 0.868 511 V CB 1.319 33.196 31.823 0.089 0.000 0.982 511 V HN 0.823 nan 8.190 nan 0.000 0.443 512 T N 5.155 119.606 114.554 -0.173 0.000 2.841 512 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 512 T C -1.199 173.359 174.700 -0.236 0.000 1.000 512 T CA -0.141 61.894 62.100 -0.107 0.000 0.977 512 T CB 1.158 69.966 68.868 -0.099 0.000 0.979 512 T HN 0.657 nan 8.240 nan 0.000 0.446 513 Y N 1.301 121.632 120.300 0.051 0.000 2.499 513 Y HA 0.604 5.154 4.550 -0.000 0.000 0.347 513 Y C 0.323 176.217 175.900 -0.009 0.000 0.987 513 Y CA -1.152 56.969 58.100 0.035 0.000 1.044 513 Y CB 1.877 40.329 38.460 -0.014 0.000 1.245 513 Y HN 0.721 nan 8.280 nan 0.000 0.461 514 E N -0.762 119.516 120.200 0.131 0.000 2.392 514 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 514 E C -1.321 175.289 176.600 0.017 0.000 0.964 514 E CA -1.186 55.243 56.400 0.049 0.000 0.777 514 E CB 1.948 31.669 29.700 0.035 0.000 1.249 514 E HN 0.539 nan 8.360 nan 0.000 0.449 515 T N -0.430 114.112 114.554 -0.020 0.000 2.816 515 T HA 0.269 4.619 4.350 -0.000 0.000 0.282 515 T C 0.416 175.121 174.700 0.008 0.000 0.993 515 T CA -0.849 61.233 62.100 -0.030 0.000 0.994 515 T CB 0.954 69.785 68.868 -0.061 0.000 1.025 515 T HN 0.446 nan 8.240 nan 0.000 0.529 516 E N 0.187 120.397 120.200 0.018 0.000 2.416 516 E HA 0.178 4.528 4.350 -0.000 0.000 0.254 516 E C 0.312 176.939 176.600 0.044 0.000 1.241 516 E CA -0.397 56.021 56.400 0.030 0.000 0.969 516 E CB 0.819 30.540 29.700 0.034 0.000 0.999 516 E HN 0.618 nan 8.360 nan 0.000 0.481 517 V N 1.701 121.644 119.914 0.049 0.000 2.655 517 V HA 0.032 4.152 4.120 -0.000 0.000 0.300 517 V C 0.104 176.245 176.094 0.078 0.000 1.044 517 V CA -0.183 62.157 62.300 0.067 0.000 1.095 517 V CB -0.130 31.728 31.823 0.058 0.000 0.952 517 V HN 0.394 nan 8.190 nan 0.000 0.485 518 L N 6.062 127.349 121.223 0.106 0.000 2.410 518 L HA 0.303 4.643 4.340 -0.000 0.000 0.273 518 L C 0.920 177.845 176.870 0.092 0.000 1.152 518 L CA -0.158 54.747 54.840 0.108 0.000 0.855 518 L CB 0.434 42.576 42.059 0.139 0.000 1.129 518 L HN 0.699 nan 8.230 nan 0.000 0.463 519 D N 0.698 121.143 120.400 0.075 0.000 2.327 519 D HA 0.053 4.693 4.640 -0.000 0.000 0.205 519 D C 0.267 176.599 176.300 0.053 0.000 0.989 519 D CA 0.904 54.939 54.000 0.059 0.000 0.873 519 D CB 0.615 41.444 40.800 0.048 0.000 0.955 519 D HN 0.437 nan 8.370 nan 0.000 0.515 520 E N 0.763 120.998 120.200 0.058 0.000 2.292 520 E HA 0.305 4.655 4.350 -0.000 0.000 0.272 520 E C -2.511 174.123 176.600 0.057 0.000 0.881 520 E CA -1.873 54.554 56.400 0.045 0.000 0.754 520 E CB 2.713 32.429 29.700 0.028 0.000 1.201 520 E HN -0.064 nan 8.360 nan 0.000 0.425 521 P HA 0.077 nan 4.420 nan 0.000 0.271 521 P C -0.252 177.090 177.300 0.069 0.000 1.218 521 P CA -0.360 62.771 63.100 0.052 0.000 0.780 521 P CB 0.714 32.417 31.700 0.005 0.000 0.901 522 V N 1.872 121.870 119.914 0.141 0.000 2.409 522 V HA 0.522 4.642 4.120 -0.000 0.000 0.291 522 V C -0.263 175.952 176.094 0.202 0.000 1.020 522 V CA -0.906 61.489 62.300 0.157 0.000 0.848 522 V CB 1.299 33.242 31.823 0.200 0.000 0.990 522 V HN 0.369 nan 8.190 nan 0.000 0.430 523 R N 4.222 124.783 120.500 0.101 0.000 2.349 523 R HA 0.794 5.134 4.340 -0.000 0.000 0.299 523 R C -0.699 175.666 176.300 0.109 0.000 1.027 523 R CA -0.527 55.613 56.100 0.067 0.000 0.958 523 R CB 1.974 32.288 30.300 0.023 0.000 1.047 523 R HN 0.920 nan 8.270 nan 0.000 0.468 524 V N -1.380 118.604 119.914 0.117 0.000 2.709 524 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 524 V C -0.568 175.580 176.094 0.091 0.000 1.062 524 V CA -0.675 61.702 62.300 0.128 0.000 0.901 524 V CB 2.079 34.042 31.823 0.234 0.000 1.003 524 V HN 0.698 nan 8.190 nan 0.000 0.425 525 S N 2.344 118.082 115.700 0.064 0.000 2.680 525 S HA 0.862 5.332 4.470 -0.000 0.000 0.262 525 S C -0.126 174.483 174.600 0.016 0.000 1.138 525 S CA 0.651 58.916 58.200 0.109 0.000 1.072 525 S CB 0.494 63.752 63.200 0.097 0.000 1.097 525 S HN 2.453 nan 8.310 nan 0.000 0.468 526 G N 1.497 110.346 108.800 0.082 0.000 2.332 526 G HA2 0.292 4.252 3.960 -0.000 0.000 0.265 526 G HA3 0.292 4.252 3.960 -0.000 0.000 0.265 526 G C -1.117 173.743 174.900 -0.066 0.000 1.329 526 G CA 0.029 45.009 45.100 -0.201 0.000 0.949 526 G HN 1.720 nan 8.290 nan 0.000 0.476 527 V N -0.163 119.666 119.914 -0.142 0.000 2.357 527 V HA 0.795 4.915 4.120 -0.000 0.000 0.284 527 V C -2.491 173.567 176.094 -0.061 0.000 1.018 527 V CA -1.851 60.406 62.300 -0.071 0.000 0.841 527 V CB 1.314 33.084 31.823 -0.089 0.000 0.991 527 V HN 0.617 nan 8.190 nan 0.000 0.437 528 P HA 0.469 nan 4.420 nan 0.000 0.274 528 P C -0.900 176.346 177.300 -0.091 0.000 1.237 528 P CA -0.285 62.786 63.100 -0.048 0.000 0.793 528 P CB 1.250 32.940 31.700 -0.016 0.000 0.977 529 V N 0.642 120.459 119.914 -0.161 0.000 2.638 529 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 529 V C -0.004 175.843 176.094 -0.412 0.000 1.052 529 V CA -1.053 61.067 62.300 -0.299 0.000 0.885 529 V CB 1.571 33.197 31.823 -0.329 0.000 0.999 529 V HN 0.669 nan 8.190 nan 0.000 0.424 530 A N 2.535 124.972 122.820 -0.638 0.000 2.354 530 A HA 0.583 4.903 4.320 -0.000 0.000 0.281 530 A C -0.256 176.935 177.584 -0.654 0.000 1.174 530 A CA -0.056 51.563 52.037 -0.696 0.000 0.828 530 A CB 0.108 18.435 19.000 -1.123 0.000 1.099 530 A HN 0.874 nan 8.150 nan 0.000 0.516 531 D N 2.515 122.703 120.400 -0.352 0.000 2.458 531 D HA 0.425 5.065 4.640 -0.000 0.000 0.258 531 D C -1.036 175.182 176.300 -0.135 0.000 1.134 531 D CA -0.114 53.797 54.000 -0.148 0.000 0.915 531 D CB 0.417 41.246 40.800 0.049 0.000 1.028 531 D HN 0.344 nan 8.370 nan 0.000 0.508 532 L N 3.392 124.487 121.223 -0.213 0.000 2.309 532 L HA 0.598 4.938 4.340 -0.000 0.000 0.282 532 L C -1.444 175.291 176.870 -0.226 0.000 1.036 532 L CA -0.342 54.405 54.840 -0.155 0.000 0.806 532 L CB 0.724 42.676 42.059 -0.178 0.000 1.220 532 L HN 0.167 nan 8.230 nan 0.000 0.429 533 F N 5.202 125.176 119.950 0.038 0.000 2.434 533 F HA 0.736 5.263 4.527 -0.000 0.000 0.367 533 F C 0.241 176.030 175.800 -0.017 0.000 1.093 533 F CA -0.256 57.760 58.000 0.026 0.000 1.085 533 F CB 1.283 40.275 39.000 -0.014 0.000 1.322 533 F HN 0.630 nan 8.300 nan 0.000 0.452 534 A N 1.922 124.768 122.820 0.042 0.000 2.454 534 A HA 0.966 5.286 4.320 -0.000 0.000 0.302 534 A C -1.326 176.280 177.584 0.037 0.000 1.079 534 A CA -0.692 51.269 52.037 -0.128 0.000 0.731 534 A CB 1.387 19.877 19.000 -0.851 0.000 1.299 534 A HN 0.727 nan 8.150 nan 0.000 0.413 535 A N 0.276 123.169 122.820 0.121 0.000 2.374 535 A HA 0.890 5.210 4.320 -0.000 0.000 0.317 535 A C -0.261 177.514 177.584 0.319 0.000 1.094 535 A CA -0.259 51.906 52.037 0.213 0.000 0.765 535 A CB 1.593 20.678 19.000 0.141 0.000 1.268 535 A HN 1.445 nan 8.150 nan 0.000 0.438 536 T N -0.429 114.310 114.554 0.309 0.000 2.893 536 T HA 0.442 4.792 4.350 -0.000 0.000 0.293 536 T C 1.116 175.896 174.700 0.132 0.000 1.027 536 T CA 0.258 62.498 62.100 0.233 0.000 0.988 536 T CB 1.240 70.250 68.868 0.238 0.000 1.043 536 T HN 1.347 nan 8.240 nan 0.000 0.461 537 S N 2.408 118.154 115.700 0.077 0.000 2.515 537 S HA 0.234 4.704 4.470 -0.000 0.000 0.231 537 S C 1.145 175.777 174.600 0.054 0.000 0.987 537 S CA 0.289 58.523 58.200 0.057 0.000 0.936 537 S CB -0.321 62.902 63.200 0.039 0.000 0.766 537 S HN 0.890 nan 8.310 nan 0.000 0.528 538 G N 0.882 109.716 108.800 0.057 0.000 2.531 538 G HA2 0.440 4.400 3.960 -0.000 0.000 0.281 538 G HA3 0.440 4.400 3.960 -0.000 0.000 0.281 538 G C 0.473 175.416 174.900 0.072 0.000 1.382 538 G CA 0.091 45.223 45.100 0.052 0.000 1.045 538 G HN 0.394 nan 8.290 nan 0.000 0.533 539 T N -2.910 111.689 114.554 0.076 0.000 3.129 539 T HA 0.349 4.699 4.350 -0.000 0.000 0.267 539 T C -0.210 174.575 174.700 0.142 0.000 1.018 539 T CA -0.013 62.145 62.100 0.097 0.000 0.903 539 T CB 0.315 69.240 68.868 0.095 0.000 1.067 539 T HN 0.418 nan 8.240 nan 0.000 0.549 540 D N -0.557 119.913 120.400 0.116 0.000 2.694 540 D HA 0.639 5.279 4.640 -0.000 0.000 0.260 540 D C -1.610 174.698 176.300 0.013 0.000 1.250 540 D CA -0.183 53.885 54.000 0.113 0.000 0.763 540 D CB 1.942 42.812 40.800 0.116 0.000 1.311 540 D HN 0.034 nan 8.370 nan 0.000 0.420 541 S N 0.160 115.827 115.700 -0.055 0.000 2.680 541 S HA 0.354 4.824 4.470 -0.000 0.000 0.284 541 S C -2.108 172.218 174.600 -0.456 0.000 1.055 541 S CA -0.796 57.211 58.200 -0.321 0.000 0.849 541 S CB 1.257 64.108 63.200 -0.581 0.000 1.068 541 S HN 0.394 nan 8.310 nan 0.000 0.453 542 D N 0.402 120.464 120.400 -0.562 0.000 2.228 542 D HA 0.609 5.249 4.640 -0.000 0.000 0.247 542 D C -1.238 174.629 176.300 -0.721 0.000 0.995 542 D CA -0.018 53.728 54.000 -0.424 0.000 0.903 542 D CB 0.910 41.600 40.800 -0.182 0.000 1.205 542 D HN 0.433 nan 8.370 nan 0.000 0.459 543 W N 0.970 122.244 121.300 -0.043 0.000 2.647 543 W HA 0.465 5.125 4.660 -0.000 0.000 0.328 543 W C -0.926 175.566 176.519 -0.045 0.000 1.018 543 W CA -0.872 56.443 57.345 -0.049 0.000 1.245 543 W CB 1.279 30.650 29.460 -0.148 0.000 1.356 543 W HN -0.073 nan 8.180 nan 0.000 0.443 544 V N 4.446 124.416 119.914 0.092 0.000 2.427 544 V HA 0.570 4.690 4.120 -0.000 0.000 0.286 544 V C -0.275 175.812 176.094 -0.013 0.000 1.034 544 V CA -0.953 61.261 62.300 -0.144 0.000 0.893 544 V CB 1.411 32.888 31.823 -0.577 0.000 0.982 544 V HN 0.288 nan 8.190 nan 0.000 0.452 545 V N 5.330 125.270 119.914 0.045 0.000 2.531 545 V HA 0.528 4.648 4.120 -0.000 0.000 0.301 545 V C -0.371 175.760 176.094 0.062 0.000 1.034 545 V CA -0.950 61.397 62.300 0.078 0.000 0.865 545 V CB 1.965 33.864 31.823 0.128 0.000 0.995 545 V HN 0.876 nan 8.190 nan 0.000 0.424 546 K N 4.327 124.761 120.400 0.056 0.000 2.376 546 K HA 0.645 4.965 4.320 -0.000 0.000 0.257 546 K C -1.349 175.310 176.600 0.099 0.000 0.939 546 K CA -0.850 55.499 56.287 0.104 0.000 0.809 546 K CB 2.651 35.220 32.500 0.115 0.000 1.121 546 K HN 0.437 nan 8.250 nan 0.000 0.425 547 L N 4.833 126.127 121.223 0.118 0.000 2.264 547 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 547 L C -1.171 175.805 176.870 0.176 0.000 1.044 547 L CA -0.195 54.717 54.840 0.121 0.000 0.807 547 L CB 0.471 42.603 42.059 0.121 0.000 1.192 547 L HN 0.592 nan 8.230 nan 0.000 0.425 548 I N 3.745 124.427 120.570 0.187 0.000 2.689 548 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 548 I C -1.074 175.254 176.117 0.352 0.000 1.059 548 I CA -0.753 60.685 61.300 0.231 0.000 1.055 548 I CB 2.207 40.306 38.000 0.166 0.000 1.243 548 I HN 0.496 nan 8.210 nan 0.000 0.425 549 D N 5.404 126.048 120.400 0.406 0.000 2.427 549 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 549 D C -0.883 175.657 176.300 0.401 0.000 1.076 549 D CA -0.260 54.074 54.000 0.556 0.000 0.849 549 D CB 1.330 42.419 40.800 0.481 0.000 1.052 549 D HN 0.068 nan 8.370 nan 0.000 0.515 550 V N 5.102 125.220 119.914 0.339 0.000 2.432 550 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 550 V C 0.800 176.991 176.094 0.163 0.000 1.046 550 V CA -0.724 61.705 62.300 0.215 0.000 0.945 550 V CB 0.982 32.886 31.823 0.134 0.000 0.992 550 V HN 0.502 nan 8.190 nan 0.000 0.471 551 Q N 5.344 125.186 119.800 0.070 0.000 2.492 551 Q HA 0.252 4.592 4.340 -0.000 0.000 0.238 551 Q C -2.239 173.593 176.000 -0.280 0.000 1.045 551 Q CA -1.873 53.800 55.803 -0.217 0.000 0.934 551 Q CB -0.111 28.597 28.738 -0.051 0.000 1.276 551 Q HN 0.436 nan 8.270 nan 0.000 0.521 552 P HA -0.040 nan 4.420 nan 0.000 0.267 552 P C 0.000 177.249 177.300 -0.086 0.000 1.200 552 P CA 0.422 63.405 63.100 -0.195 0.000 0.772 552 P CB 0.403 32.011 31.700 -0.154 0.000 0.855 553 A N 3.389 126.185 122.820 -0.040 0.000 1.971 553 A HA -0.162 4.158 4.320 -0.000 0.000 0.222 553 A C 0.947 178.523 177.584 -0.014 0.000 1.182 553 A CA 1.831 53.858 52.037 -0.017 0.000 0.649 553 A CB -0.666 18.330 19.000 -0.007 0.000 0.818 553 A HN 0.492 nan 8.150 nan 0.000 0.458 554 M N -0.468 119.121 119.600 -0.019 0.000 2.393 554 M HA 0.325 4.805 4.480 -0.000 0.000 0.299 554 M C -0.915 175.372 176.300 -0.021 0.000 1.103 554 M CA -0.091 55.201 55.300 -0.013 0.000 0.910 554 M CB 1.788 34.383 32.600 -0.008 0.000 1.659 554 M HN 0.247 nan 8.290 nan 0.000 0.445 555 T N -0.900 113.643 114.554 -0.018 0.000 3.226 555 T HA 0.416 4.766 4.350 -0.000 0.000 0.378 555 T C -2.114 172.577 174.700 -0.015 0.000 1.380 555 T CA -1.333 60.754 62.100 -0.022 0.000 1.396 555 T CB 0.641 69.490 68.868 -0.032 0.000 1.044 555 T HN 0.366 nan 8.240 nan 0.000 0.586 556 P HA -0.036 nan 4.420 nan 0.000 0.220 556 P C 0.592 177.886 177.300 -0.010 0.000 1.148 556 P CA 0.934 64.029 63.100 -0.008 0.000 0.803 556 P CB 0.266 31.963 31.700 -0.005 0.000 0.782 557 D N -0.693 119.700 120.400 -0.011 0.000 2.317 557 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 557 D C 0.383 176.670 176.300 -0.021 0.000 0.966 557 D CA 1.242 55.234 54.000 -0.014 0.000 0.876 557 D CB -0.199 40.595 40.800 -0.011 0.000 0.927 557 D HN 0.189 nan 8.370 nan 0.000 0.519 558 D N -1.344 119.040 120.400 -0.026 0.000 2.668 558 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 558 D C -2.098 174.185 176.300 -0.029 0.000 1.268 558 D CA -1.710 52.268 54.000 -0.035 0.000 0.842 558 D CB 1.202 41.968 40.800 -0.056 0.000 1.399 558 D HN -0.233 nan 8.370 nan 0.000 0.530 559 P HA -0.218 nan 4.420 nan 0.000 0.218 559 P C 1.255 178.556 177.300 0.001 0.000 1.152 559 P CA 1.592 64.687 63.100 -0.009 0.000 0.857 559 P CB 0.086 31.782 31.700 -0.007 0.000 0.787 560 K N -1.247 119.153 120.400 0.001 0.000 2.442 560 K HA -0.056 4.264 4.320 -0.000 0.000 0.198 560 K C 1.325 177.965 176.600 0.066 0.000 1.044 560 K CA 1.176 57.479 56.287 0.027 0.000 0.948 560 K CB -0.505 32.006 32.500 0.019 0.000 0.762 560 K HN 0.083 nan 8.250 nan 0.000 0.472 561 M N 1.502 121.114 119.600 0.021 0.000 2.495 561 M HA 0.135 4.615 4.480 -0.000 0.000 0.237 561 M C 0.585 176.924 176.300 0.066 0.000 1.131 561 M CA 0.076 55.389 55.300 0.023 0.000 1.032 561 M CB 0.064 32.600 32.600 -0.107 0.000 1.513 561 M HN 0.202 nan 8.290 nan 0.000 0.488 562 G N 0.277 109.103 108.800 0.044 0.000 2.298 562 G HA2 0.341 4.301 3.960 -0.000 0.000 0.263 562 G HA3 0.341 4.301 3.960 -0.000 0.000 0.263 562 G C 1.100 176.027 174.900 0.046 0.000 1.229 562 G CA 0.404 45.519 45.100 0.025 0.000 0.976 562 G HN 0.687 nan 8.290 nan 0.000 0.459 563 G N 1.708 110.528 108.800 0.033 0.000 2.168 563 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 563 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 563 G C 0.469 175.417 174.900 0.080 0.000 0.977 563 G CA 0.617 45.740 45.100 0.038 0.000 0.659 563 G HN 1.067 nan 8.290 nan 0.000 0.533 564 Y N 1.755 122.045 120.300 -0.017 0.000 2.721 564 Y HA 0.318 4.868 4.550 -0.000 0.000 0.329 564 Y C 0.864 176.778 175.900 0.023 0.000 1.211 564 Y CA 0.597 58.694 58.100 -0.005 0.000 1.512 564 Y CB 0.442 38.893 38.460 -0.015 0.000 1.249 564 Y HN 0.347 nan 8.280 nan 0.000 0.549 565 E N 6.866 127.040 120.200 -0.045 0.000 1.924 565 E HA 0.124 4.474 4.350 -0.000 0.000 0.261 565 E C -1.213 175.461 176.600 0.124 0.000 1.088 565 E CA -0.559 55.873 56.400 0.053 0.000 0.909 565 E CB 0.388 30.080 29.700 -0.013 0.000 1.112 565 E HN 0.398 nan 8.360 nan 0.000 0.425 566 L N 5.345 126.764 121.223 0.326 0.000 2.283 566 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 566 L C -2.552 174.455 176.870 0.229 0.000 1.073 566 L CA -2.091 52.947 54.840 0.331 0.000 0.822 566 L CB 0.335 42.573 42.059 0.298 0.000 1.186 566 L HN 0.155 nan 8.230 nan 0.000 0.436 567 P HA 0.090 nan 4.420 nan 0.000 0.276 567 P C 0.556 178.033 177.300 0.295 0.000 1.243 567 P CA -0.238 62.992 63.100 0.217 0.000 0.768 567 P CB 1.107 32.928 31.700 0.201 0.000 0.856 568 V N 0.629 120.667 119.914 0.207 0.000 3.307 568 V HA 0.251 4.371 4.120 -0.000 0.000 0.253 568 V C 0.528 176.652 176.094 0.050 0.000 1.149 568 V CA 0.654 63.019 62.300 0.107 0.000 1.112 568 V CB -0.078 31.635 31.823 -0.183 0.000 0.777 568 V HN 0.552 nan 8.190 nan 0.000 0.464 569 S N 1.099 116.871 115.700 0.120 0.000 2.590 569 S HA 0.732 5.202 4.470 -0.000 0.000 0.286 569 S C -0.984 173.725 174.600 0.183 0.000 1.147 569 S CA -0.656 57.612 58.200 0.114 0.000 0.963 569 S CB 1.076 64.320 63.200 0.074 0.000 1.124 569 S HN 0.632 nan 8.310 nan 0.000 0.458 570 M N 2.753 122.503 119.600 0.250 0.000 2.520 570 M HA 0.794 5.274 4.480 -0.000 0.000 0.283 570 M C -1.671 174.914 176.300 0.475 0.000 1.237 570 M CA -0.739 54.763 55.300 0.337 0.000 0.885 570 M CB 2.199 35.035 32.600 0.393 0.000 1.727 570 M HN 0.488 nan 8.290 nan 0.000 0.468 571 D N 0.640 121.316 120.400 0.460 0.000 2.665 571 D HA 0.669 5.308 4.640 -0.000 0.000 0.287 571 D C -2.031 174.497 176.300 0.380 0.000 1.266 571 D CA -0.395 53.951 54.000 0.577 0.000 0.830 571 D CB 3.056 44.230 40.800 0.623 0.000 1.356 571 D HN 0.847 nan 8.370 nan 0.000 0.437 572 I N 1.029 121.809 120.570 0.351 0.000 2.569 572 I HA 0.634 4.804 4.170 -0.000 0.000 0.296 572 I C -1.600 174.563 176.117 0.078 0.000 1.028 572 I CA -0.884 60.466 61.300 0.083 0.000 1.082 572 I CB 1.538 39.449 38.000 -0.149 0.000 1.264 572 I HN 0.286 nan 8.210 nan 0.000 0.429 573 F N 6.925 126.735 119.950 -0.234 0.000 2.518 573 F HA 0.522 5.049 4.527 -0.000 0.000 0.323 573 F C -0.413 175.342 175.800 -0.076 0.000 1.129 573 F CA -0.756 57.046 58.000 -0.331 0.000 0.920 573 F CB 1.208 39.564 39.000 -1.073 0.000 1.160 573 F HN 0.419 nan 8.300 nan 0.000 0.440 574 R N 4.220 124.544 120.500 -0.293 0.000 2.220 574 R HA 0.297 4.637 4.340 -0.000 0.000 0.340 574 R C 1.318 177.682 176.300 0.108 0.000 1.076 574 R CA 0.539 56.616 56.100 -0.038 0.000 0.920 574 R CB 0.648 30.983 30.300 0.058 0.000 1.062 574 R HN 0.992 nan 8.270 nan 0.000 0.469 575 G N 5.034 114.015 108.800 0.301 0.000 2.597 575 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.222 575 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.222 575 G C 1.232 176.370 174.900 0.397 0.000 1.135 575 G CA 1.184 46.620 45.100 0.559 0.000 0.759 575 G HN 0.800 nan 8.290 nan 0.000 0.595 576 R N -0.519 120.032 120.500 0.086 0.000 2.303 576 R HA -0.058 4.282 4.340 -0.000 0.000 0.225 576 R C 1.026 177.249 176.300 -0.128 0.000 1.114 576 R CA 1.275 57.346 56.100 -0.048 0.000 1.007 576 R CB -0.545 29.658 30.300 -0.162 0.000 0.861 576 R HN 0.524 nan 8.270 nan 0.000 0.471 577 Y N 0.200 120.666 120.300 0.275 0.000 2.607 577 Y HA 0.312 4.862 4.550 -0.000 0.000 0.266 577 Y C 2.118 178.163 175.900 0.242 0.000 1.178 577 Y CA -0.756 57.482 58.100 0.229 0.000 1.226 577 Y CB 0.207 38.852 38.460 0.309 0.000 1.144 577 Y HN -0.041 nan 8.280 nan 0.000 0.528 578 R N 1.239 122.001 120.500 0.436 0.000 2.103 578 R HA -0.197 4.143 4.340 -0.000 0.000 0.242 578 R C 1.426 177.732 176.300 0.010 0.000 1.142 578 R CA 1.919 58.183 56.100 0.274 0.000 0.960 578 R CB 0.148 30.475 30.300 0.044 0.000 0.858 578 R HN 0.317 nan 8.270 nan 0.000 0.439 579 K N -1.480 118.916 120.400 -0.007 0.000 2.202 579 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 579 K C -0.153 176.398 176.600 -0.081 0.000 1.051 579 K CA 0.442 56.691 56.287 -0.063 0.000 0.977 579 K CB 0.440 32.915 32.500 -0.042 0.000 0.792 579 K HN 0.026 nan 8.250 nan 0.000 0.469 580 D N -1.238 119.139 120.400 -0.038 0.000 2.966 580 D HA 0.106 4.746 4.640 -0.000 0.000 0.222 580 D C -0.060 176.292 176.300 0.087 0.000 1.292 580 D CA -0.528 53.452 54.000 -0.034 0.000 0.907 580 D CB 0.868 41.695 40.800 0.044 0.000 1.621 580 D HN -0.219 nan 8.370 nan 0.000 0.557 581 F N 2.019 122.084 119.950 0.191 0.000 2.216 581 F HA 0.033 4.560 4.527 -0.000 0.000 0.300 581 F C 2.413 178.188 175.800 -0.043 0.000 1.085 581 F CA 1.176 59.199 58.000 0.038 0.000 1.326 581 F CB -0.429 38.466 39.000 -0.174 0.000 1.027 581 F HN 0.500 nan 8.300 nan 0.000 0.497 582 A N -1.356 121.586 122.820 0.203 0.000 2.132 582 A HA 0.062 4.382 4.320 -0.000 0.000 0.213 582 A C 0.911 178.591 177.584 0.160 0.000 1.154 582 A CA 0.532 52.638 52.037 0.116 0.000 0.753 582 A CB -0.054 18.991 19.000 0.076 0.000 0.826 582 A HN -0.040 nan 8.150 nan 0.000 0.469 583 K N 1.319 121.842 120.400 0.205 0.000 2.626 583 K HA 0.313 4.633 4.320 -0.000 0.000 0.223 583 K C -3.224 173.509 176.600 0.222 0.000 0.992 583 K CA -1.879 54.517 56.287 0.182 0.000 1.024 583 K CB 1.694 34.258 32.500 0.108 0.000 1.225 583 K HN 0.159 nan 8.250 nan 0.000 0.498 584 P HA 0.199 nan 4.420 nan 0.000 0.271 584 P C -0.592 176.811 177.300 0.173 0.000 1.216 584 P CA -0.025 63.207 63.100 0.220 0.000 0.776 584 P CB 1.303 33.120 31.700 0.195 0.000 0.881 585 E N 0.328 120.535 120.200 0.012 0.000 2.356 585 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 585 E C -0.741 175.530 176.600 -0.548 0.000 0.904 585 E CA -1.145 55.067 56.400 -0.313 0.000 0.757 585 E CB 2.484 32.083 29.700 -0.169 0.000 1.232 585 E HN 0.477 nan 8.360 nan 0.000 0.442 586 A N 2.790 124.988 122.820 -1.037 0.000 2.445 586 A HA 0.325 4.645 4.320 -0.000 0.000 0.242 586 A C -0.179 177.268 177.584 -0.229 0.000 1.075 586 A CA -0.098 51.512 52.037 -0.712 0.000 0.777 586 A CB 0.149 18.742 19.000 -0.678 0.000 1.013 586 A HN 0.522 nan 8.150 nan 0.000 0.493 587 L N 1.137 122.332 121.223 -0.046 0.000 2.350 587 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 587 L C 0.522 177.408 176.870 0.026 0.000 1.099 587 L CA -0.629 54.238 54.840 0.045 0.000 0.808 587 L CB 0.938 43.101 42.059 0.173 0.000 1.149 587 L HN 0.795 nan 8.230 nan 0.000 0.442 588 Q N 4.453 124.270 119.800 0.027 0.000 2.281 588 Q HA 0.200 4.540 4.340 -0.000 0.000 0.267 588 Q C -2.350 173.682 176.000 0.053 0.000 1.053 588 Q CA -1.342 54.473 55.803 0.021 0.000 0.905 588 Q CB 0.750 29.494 28.738 0.010 0.000 1.195 588 Q HN 0.165 nan 8.270 nan 0.000 0.398 589 P HA 0.006 nan 4.420 nan 0.000 0.268 589 P C -0.681 176.653 177.300 0.058 0.000 1.205 589 P CA 0.236 63.372 63.100 0.060 0.000 0.771 589 P CB 0.575 32.302 31.700 0.045 0.000 0.858 590 D N -1.522 118.922 120.400 0.073 0.000 3.059 590 D HA -0.205 4.435 4.640 -0.000 0.000 0.213 590 D C 0.122 176.458 176.300 0.061 0.000 1.144 590 D CA 1.587 55.626 54.000 0.065 0.000 0.975 590 D CB -1.382 39.445 40.800 0.046 0.000 1.125 590 D HN 0.533 nan 8.370 nan 0.000 0.412 591 A N 0.409 123.268 122.820 0.065 0.000 2.301 591 A HA 0.535 4.855 4.320 -0.000 0.000 0.312 591 A C 0.508 178.132 177.584 0.066 0.000 1.182 591 A CA -0.139 51.926 52.037 0.047 0.000 0.826 591 A CB 0.894 19.912 19.000 0.031 0.000 1.134 591 A HN -0.012 nan 8.150 nan 0.000 0.501 592 T N 3.701 118.280 114.554 0.042 0.000 2.752 592 T HA 0.439 4.789 4.350 -0.000 0.000 0.295 592 T C -0.077 174.660 174.700 0.062 0.000 0.923 592 T CA 0.483 62.620 62.100 0.061 0.000 1.112 592 T CB -0.493 68.376 68.868 0.002 0.000 0.884 592 T HN 0.414 nan 8.240 nan 0.000 0.525 593 L N 2.686 123.940 121.223 0.053 0.000 2.342 593 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 593 L C 0.434 177.168 176.870 -0.227 0.000 1.008 593 L CA -1.084 53.696 54.840 -0.100 0.000 0.818 593 L CB 1.718 43.640 42.059 -0.228 0.000 1.296 593 L HN 0.643 nan 8.230 nan 0.000 0.427 594 H N 1.925 120.713 119.070 -0.470 0.000 2.652 594 H HA 0.327 4.883 4.556 -0.000 0.000 0.298 594 H C -1.539 173.368 175.328 -0.702 0.000 1.076 594 H CA -0.499 55.158 56.048 -0.652 0.000 1.360 594 H CB 0.597 30.053 29.762 -0.510 0.000 1.421 594 H HN 0.410 nan 8.280 nan 0.000 0.464 595 Y N 3.202 123.199 120.300 -0.505 0.000 2.377 595 Y HA 0.214 4.764 4.550 -0.000 0.000 0.339 595 Y C -0.285 175.303 175.900 -0.521 0.000 1.011 595 Y CA -0.793 57.010 58.100 -0.495 0.000 1.093 595 Y CB 1.494 39.721 38.460 -0.388 0.000 1.201 595 Y HN 0.686 nan 8.280 nan 0.000 0.455 596 H N 4.331 123.151 119.070 -0.417 0.000 3.108 596 H HA 0.535 5.090 4.556 -0.000 0.000 0.329 596 H C -1.756 173.489 175.328 -0.138 0.000 0.978 596 H CA -1.067 54.756 56.048 -0.375 0.000 1.413 596 H CB 0.548 30.044 29.762 -0.443 0.000 1.670 596 H HN 0.511 nan 8.280 nan 0.000 0.512 597 F N 1.256 120.950 119.950 -0.427 0.000 2.628 597 F HA 0.471 4.998 4.527 -0.000 0.000 0.309 597 F C -0.738 175.010 175.800 -0.086 0.000 1.108 597 F CA -1.133 56.728 58.000 -0.233 0.000 0.971 597 F CB 0.815 39.554 39.000 -0.435 0.000 1.279 597 F HN 0.374 nan 8.300 nan 0.000 0.441 598 T N 1.526 116.247 114.554 0.280 0.000 2.919 598 T HA 0.622 4.972 4.350 -0.000 0.000 0.302 598 T C -0.268 174.669 174.700 0.395 0.000 1.031 598 T CA -0.490 61.751 62.100 0.235 0.000 1.127 598 T CB 0.947 69.985 68.868 0.282 0.000 0.952 598 T HN 0.711 nan 8.240 nan 0.000 0.540 599 L N 2.603 123.951 121.223 0.208 0.000 2.331 599 L HA 0.539 4.879 4.340 -0.000 0.000 0.268 599 L C -2.148 174.830 176.870 0.180 0.000 1.015 599 L CA -3.126 51.865 54.840 0.251 0.000 0.807 599 L CB 1.275 43.418 42.059 0.140 0.000 1.293 599 L HN 0.417 nan 8.230 nan 0.000 0.451 600 P HA -0.011 nan 4.420 nan 0.000 0.267 600 P C -0.772 176.543 177.300 0.025 0.000 1.201 600 P CA -0.135 63.019 63.100 0.090 0.000 0.775 600 P CB 0.386 32.131 31.700 0.074 0.000 0.854 601 A N 2.014 124.828 122.820 -0.010 0.000 2.425 601 A HA 0.457 4.777 4.320 -0.000 0.000 0.242 601 A C 0.116 177.664 177.584 -0.060 0.000 1.077 601 A CA 0.053 52.093 52.037 0.004 0.000 0.781 601 A CB -0.255 18.779 19.000 0.056 0.000 1.020 601 A HN 0.466 nan 8.150 nan 0.000 0.494 602 V N -0.759 119.152 119.914 -0.005 0.000 2.925 602 V HA 0.831 4.951 4.120 -0.000 0.000 0.311 602 V C -0.735 175.369 176.094 0.016 0.000 1.104 602 V CA -0.802 61.467 62.300 -0.053 0.000 0.954 602 V CB 2.122 33.939 31.823 -0.010 0.000 1.022 602 V HN 0.906 nan 8.190 nan 0.000 0.427 603 N N 1.119 119.791 118.700 -0.047 0.000 2.751 603 N HA 0.425 5.165 4.740 -0.000 0.000 0.234 603 N C -1.200 174.290 175.510 -0.034 0.000 1.403 603 N CA -0.175 52.872 53.050 -0.006 0.000 0.747 603 N CB 0.478 38.927 38.487 -0.064 0.000 1.326 603 N HN 1.129 nan 8.380 nan 0.000 0.532 604 H N -0.308 118.666 119.070 -0.159 0.000 2.907 604 H HA 0.780 5.336 4.556 -0.000 0.000 0.361 604 H C -1.399 173.776 175.328 -0.256 0.000 1.194 604 H CA -0.696 55.197 56.048 -0.259 0.000 1.152 604 H CB 1.723 31.257 29.762 -0.381 0.000 1.867 604 H HN -0.054 nan 8.280 nan 0.000 0.561 605 V N 3.070 122.400 119.914 -0.975 0.000 2.569 605 V HA 0.252 4.372 4.120 -0.000 0.000 0.301 605 V C -1.045 174.550 176.094 -0.832 0.000 1.044 605 V CA -0.644 61.283 62.300 -0.620 0.000 0.874 605 V CB 1.142 32.733 31.823 -0.385 0.000 1.002 605 V HN 0.578 nan 8.190 nan 0.000 0.424 606 F N 3.842 123.650 119.950 -0.236 0.000 2.375 606 F HA 0.674 5.201 4.527 -0.000 0.000 0.362 606 F C 0.968 176.635 175.800 -0.222 0.000 1.129 606 F CA -0.128 57.775 58.000 -0.162 0.000 1.154 606 F CB 0.904 39.939 39.000 0.060 0.000 1.205 606 F HN 0.597 nan 8.300 nan 0.000 0.513 607 A N 4.134 126.741 122.820 -0.354 0.000 2.249 607 A HA 0.409 4.729 4.320 -0.000 0.000 0.281 607 A C 0.303 177.925 177.584 0.063 0.000 1.127 607 A CA -0.827 51.103 52.037 -0.179 0.000 0.833 607 A CB 0.408 19.260 19.000 -0.246 0.000 1.140 607 A HN 0.678 nan 8.150 nan 0.000 0.502 608 K N -0.496 119.965 120.400 0.102 0.000 2.448 608 K HA 0.345 4.665 4.320 -0.000 0.000 0.278 608 K C 1.057 177.791 176.600 0.225 0.000 1.009 608 K CA 1.122 57.492 56.287 0.139 0.000 0.995 608 K CB 0.195 32.749 32.500 0.090 0.000 0.917 608 K HN 1.321 nan 8.250 nan 0.000 0.481 609 G N 1.752 110.665 108.800 0.188 0.000 2.258 609 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.233 609 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.233 609 G C 0.136 175.119 174.900 0.139 0.000 1.006 609 G CA -0.334 44.851 45.100 0.142 0.000 0.620 609 G HN 0.744 nan 8.290 nan 0.000 0.511 610 H N 0.372 119.505 119.070 0.106 0.000 2.505 610 H HA 0.690 5.246 4.556 -0.000 0.000 0.358 610 H C 0.502 175.908 175.328 0.130 0.000 1.304 610 H CA -0.123 56.011 56.048 0.143 0.000 1.393 610 H CB 0.854 30.746 29.762 0.216 0.000 1.591 610 H HN 0.250 nan 8.280 nan 0.000 0.595 611 R N 0.265 120.926 120.500 0.267 0.000 2.837 611 R HA 0.454 4.794 4.340 -0.000 0.000 0.271 611 R C -0.817 175.556 176.300 0.122 0.000 0.993 611 R CA -0.829 55.358 56.100 0.144 0.000 0.931 611 R CB 1.986 32.338 30.300 0.087 0.000 1.206 611 R HN 0.399 nan 8.270 nan 0.000 0.474 612 I N 2.188 122.723 120.570 -0.058 0.000 2.392 612 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 612 I C -0.097 175.969 176.117 -0.085 0.000 0.985 612 I CA -0.440 60.722 61.300 -0.229 0.000 1.221 612 I CB 1.662 39.314 38.000 -0.580 0.000 1.366 612 I HN 0.409 nan 8.210 nan 0.000 0.467 613 M N 6.491 126.086 119.600 -0.008 0.000 2.518 613 M HA 0.683 5.163 4.480 -0.000 0.000 0.300 613 M C -2.007 174.320 176.300 0.046 0.000 1.175 613 M CA -0.602 54.720 55.300 0.037 0.000 0.890 613 M CB 2.322 34.966 32.600 0.074 0.000 1.710 613 M HN 0.318 nan 8.290 nan 0.000 0.453 614 V N 3.556 123.515 119.914 0.074 0.000 2.588 614 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 614 V C -1.010 175.172 176.094 0.147 0.000 1.042 614 V CA -0.542 61.807 62.300 0.083 0.000 0.877 614 V CB 2.064 33.902 31.823 0.025 0.000 0.996 614 V HN 0.878 nan 8.190 nan 0.000 0.425 615 Q N 4.098 123.961 119.800 0.105 0.000 2.337 615 Q HA 0.688 5.028 4.340 -0.000 0.000 0.270 615 Q C -1.439 174.592 176.000 0.053 0.000 1.043 615 Q CA -0.483 55.369 55.803 0.081 0.000 0.794 615 Q CB 3.059 31.821 28.738 0.040 0.000 1.281 615 Q HN 0.645 nan 8.270 nan 0.000 0.446 616 I N 2.849 123.448 120.570 0.049 0.000 2.465 616 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 616 I C -0.347 175.686 176.117 -0.140 0.000 1.014 616 I CA -0.536 60.789 61.300 0.041 0.000 1.093 616 I CB 1.797 39.906 38.000 0.182 0.000 1.267 616 I HN 0.611 nan 8.210 nan 0.000 0.431 617 Q N 2.980 122.722 119.800 -0.097 0.000 2.626 617 Q HA 0.553 4.893 4.340 -0.000 0.000 0.300 617 Q C -1.223 174.800 176.000 0.039 0.000 0.988 617 Q CA -0.883 54.819 55.803 -0.167 0.000 0.761 617 Q CB 2.008 30.647 28.738 -0.166 0.000 1.494 617 Q HN 0.421 nan 8.270 nan 0.000 0.439 618 S N 0.045 115.791 115.700 0.076 0.000 2.730 618 S HA 0.263 4.733 4.470 -0.000 0.000 0.244 618 S C -0.547 174.045 174.600 -0.014 0.000 1.022 618 S CA 0.267 58.448 58.200 -0.033 0.000 1.014 618 S CB 0.507 63.648 63.200 -0.099 0.000 0.963 618 S HN 0.639 nan 8.310 nan 0.000 0.540 619 S N -0.163 115.575 115.700 0.063 0.000 2.607 619 S HA 0.785 5.255 4.470 -0.000 0.000 0.273 619 S C -2.084 172.710 174.600 0.324 0.000 1.148 619 S CA -0.670 57.638 58.200 0.179 0.000 0.833 619 S CB 1.774 65.081 63.200 0.177 0.000 1.130 619 S HN 0.241 nan 8.310 nan 0.000 0.470 620 W N 1.718 123.168 121.300 0.249 0.000 1.768 620 W HA 0.477 5.137 4.660 -0.000 0.000 0.306 620 W C -2.204 174.486 176.519 0.286 0.000 1.025 620 W CA -1.614 55.905 57.345 0.290 0.000 0.993 620 W CB 0.773 30.414 29.460 0.302 0.000 0.966 620 W HN 0.684 nan 8.180 nan 0.000 0.285 621 F N 5.623 125.766 119.950 0.323 0.000 2.492 621 F HA 0.664 5.191 4.527 -0.000 0.000 0.327 621 F C -1.267 174.682 175.800 0.248 0.000 1.079 621 F CA -2.572 55.514 58.000 0.143 0.000 0.967 621 F CB 1.937 40.976 39.000 0.066 0.000 1.169 621 F HN -0.079 nan 8.300 nan 0.000 0.472 622 P HA -0.005 nan 4.420 nan 0.000 0.257 622 P C 1.416 178.163 177.300 -0.922 0.000 1.281 622 P CA 0.329 62.588 63.100 -1.401 0.000 0.826 622 P CB 0.252 31.200 31.700 -1.253 0.000 1.237 623 L N -0.141 120.506 121.223 -0.959 0.000 2.013 623 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 623 L C 0.363 176.622 176.870 -1.018 0.000 1.073 623 L CA 1.793 55.940 54.840 -1.155 0.000 0.753 623 L CB -1.240 39.640 42.059 -1.965 0.000 0.890 623 L HN -0.127 nan 8.230 nan 0.000 0.432 624 Y N 0.633 120.682 120.300 -0.418 0.000 2.360 624 Y HA 0.325 4.875 4.550 -0.000 0.000 0.337 624 Y C 0.155 176.046 175.900 -0.015 0.000 1.039 624 Y CA -1.926 56.063 58.100 -0.186 0.000 1.109 624 Y CB 0.489 38.955 38.460 0.011 0.000 1.201 624 Y HN 0.231 nan 8.280 nan 0.000 0.458 625 D N 1.892 122.425 120.400 0.222 0.000 2.378 625 D HA 0.052 4.692 4.640 -0.000 0.000 0.238 625 D C -0.423 176.104 176.300 0.378 0.000 1.180 625 D CA -0.388 53.823 54.000 0.351 0.000 0.895 625 D CB 0.636 41.691 40.800 0.426 0.000 1.192 625 D HN 0.455 nan 8.370 nan 0.000 0.438 626 R N 0.899 121.643 120.500 0.407 0.000 2.389 626 R HA 0.151 4.491 4.340 -0.000 0.000 0.295 626 R C 0.499 176.950 176.300 0.252 0.000 1.075 626 R CA -0.607 55.669 56.100 0.293 0.000 1.005 626 R CB 0.301 30.720 30.300 0.199 0.000 0.987 626 R HN 0.440 nan 8.270 nan 0.000 0.452 627 N N 3.866 122.646 118.700 0.134 0.000 2.470 627 N HA 0.050 4.790 4.740 -0.000 0.000 0.268 627 N C -1.834 173.685 175.510 0.015 0.000 1.136 627 N CA -1.745 51.324 53.050 0.033 0.000 0.961 627 N CB 1.345 39.811 38.487 -0.035 0.000 1.067 627 N HN 0.275 nan 8.380 nan 0.000 0.468 628 P HA -0.082 nan 4.420 nan 0.000 0.225 628 P C -0.358 176.874 177.300 -0.115 0.000 1.148 628 P CA 0.961 63.879 63.100 -0.303 0.000 0.779 628 P CB 0.191 31.540 31.700 -0.584 0.000 0.780 629 Q N -2.586 117.168 119.800 -0.076 0.000 2.506 629 Q HA -0.206 4.134 4.340 -0.000 0.000 0.268 629 Q C 0.041 176.032 176.000 -0.014 0.000 1.002 629 Q CA 0.793 56.573 55.803 -0.039 0.000 1.052 629 Q CB -1.839 26.883 28.738 -0.026 0.000 1.383 629 Q HN 0.325 nan 8.270 nan 0.000 0.537 630 K N 0.266 120.648 120.400 -0.030 0.000 2.588 630 K HA 0.361 4.681 4.320 -0.000 0.000 0.250 630 K C -1.217 175.393 176.600 0.017 0.000 0.972 630 K CA -0.735 55.556 56.287 0.006 0.000 0.821 630 K CB 0.901 33.381 32.500 -0.033 0.000 1.249 630 K HN 0.011 nan 8.250 nan 0.000 0.442 631 F N 5.454 125.373 119.950 -0.051 0.000 2.571 631 F HA 0.186 4.713 4.527 -0.000 0.000 0.384 631 F C -0.294 175.473 175.800 -0.054 0.000 1.058 631 F CA 0.411 58.379 58.000 -0.053 0.000 1.200 631 F CB 0.526 39.506 39.000 -0.034 0.000 1.077 631 F HN 0.230 nan 8.300 nan 0.000 0.558 632 V N 4.616 124.171 119.914 -0.600 0.000 2.962 632 V HA 0.516 4.636 4.120 -0.000 0.000 0.313 632 V C -2.286 173.408 176.094 -0.666 0.000 1.099 632 V CA -1.863 60.179 62.300 -0.430 0.000 0.971 632 V CB 1.501 33.168 31.823 -0.260 0.000 1.028 632 V HN 0.517 nan 8.190 nan 0.000 0.430 633 P HA -0.050 nan 4.420 nan 0.000 0.215 633 P C 0.152 177.299 177.300 -0.255 0.000 1.153 633 P CA 1.458 64.383 63.100 -0.292 0.000 0.853 633 P CB 0.115 31.746 31.700 -0.114 0.000 0.788 634 N N -1.121 117.461 118.700 -0.197 0.000 2.558 634 N HA 0.177 4.917 4.740 -0.000 0.000 0.285 634 N C 0.572 176.015 175.510 -0.113 0.000 1.112 634 N CA -0.379 52.592 53.050 -0.132 0.000 0.857 634 N CB 0.695 39.134 38.487 -0.081 0.000 1.376 634 N HN -0.209 nan 8.380 nan 0.000 0.526 635 I N 2.180 122.645 120.570 -0.175 0.000 2.423 635 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 635 I C 1.383 177.499 176.117 -0.002 0.000 1.151 635 I CA 1.151 62.368 61.300 -0.139 0.000 1.421 635 I CB -0.165 37.739 38.000 -0.161 0.000 1.079 635 I HN 0.477 nan 8.210 nan 0.000 0.431 636 F N 0.856 120.870 119.950 0.106 0.000 2.202 636 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 636 F C 1.619 177.563 175.800 0.239 0.000 1.082 636 F CA 0.895 59.020 58.000 0.207 0.000 1.313 636 F CB -0.130 38.988 39.000 0.196 0.000 1.024 636 F HN 0.126 nan 8.300 nan 0.000 0.495 637 D N 0.257 120.849 120.400 0.320 0.000 2.388 637 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 637 D C 0.600 176.992 176.300 0.154 0.000 1.133 637 D CA 0.118 54.268 54.000 0.250 0.000 0.831 637 D CB -0.197 40.726 40.800 0.206 0.000 0.962 637 D HN 0.026 nan 8.370 nan 0.000 0.502 638 A N 0.972 123.867 122.820 0.126 0.000 2.531 638 A HA 0.084 4.404 4.320 -0.000 0.000 0.236 638 A C 0.660 178.337 177.584 0.156 0.000 1.062 638 A CA 0.346 52.403 52.037 0.033 0.000 0.760 638 A CB 0.422 19.340 19.000 -0.136 0.000 0.995 638 A HN -0.005 nan 8.150 nan 0.000 0.501 639 K N 2.619 123.084 120.400 0.109 0.000 2.123 639 K HA 0.366 4.686 4.320 -0.000 0.000 0.248 639 K C -1.942 174.816 176.600 0.263 0.000 0.969 639 K CA -1.843 54.542 56.287 0.163 0.000 0.882 639 K CB 0.874 33.428 32.500 0.091 0.000 1.080 639 K HN 0.296 nan 8.250 nan 0.000 0.441 640 P HA -0.236 nan 4.420 nan 0.000 0.216 640 P C 0.726 178.170 177.300 0.241 0.000 1.150 640 P CA 1.369 64.612 63.100 0.238 0.000 0.843 640 P CB 0.120 31.885 31.700 0.108 0.000 0.787 641 A N -0.585 122.323 122.820 0.147 0.000 2.119 641 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 641 A C 1.750 179.386 177.584 0.085 0.000 1.153 641 A CA 1.495 53.593 52.037 0.103 0.000 0.692 641 A CB -1.041 17.998 19.000 0.065 0.000 0.799 641 A HN 0.089 nan 8.150 nan 0.000 0.458 642 D N -1.141 119.294 120.400 0.058 0.000 2.224 642 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 642 D C -0.234 175.993 176.300 -0.122 0.000 0.965 642 D CA 0.613 54.569 54.000 -0.072 0.000 0.852 642 D CB -0.288 40.395 40.800 -0.195 0.000 0.947 642 D HN 0.556 nan 8.370 nan 0.000 0.494 643 Y N 1.150 121.457 120.300 0.012 0.000 2.537 643 Y HA 0.165 4.715 4.550 -0.000 0.000 0.339 643 Y C 0.792 176.694 175.900 0.005 0.000 1.066 643 Y CA 0.175 58.277 58.100 0.003 0.000 1.357 643 Y CB 0.431 38.886 38.460 -0.008 0.000 1.175 643 Y HN -0.324 nan 8.280 nan 0.000 0.525 644 T N 2.829 117.446 114.554 0.104 0.000 2.876 644 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 644 T C -0.416 174.323 174.700 0.066 0.000 1.014 644 T CA -0.887 61.256 62.100 0.072 0.000 0.986 644 T CB 1.519 70.409 68.868 0.038 0.000 1.021 644 T HN 0.212 nan 8.240 nan 0.000 0.458 645 V N 1.873 121.824 119.914 0.062 0.000 2.686 645 V HA 0.685 4.805 4.120 -0.000 0.000 0.295 645 V C 0.416 176.533 176.094 0.037 0.000 1.055 645 V CA -0.274 62.059 62.300 0.056 0.000 1.050 645 V CB 0.838 32.698 31.823 0.062 0.000 0.984 645 V HN 1.170 nan 8.190 nan 0.000 0.482 646 A N 3.099 125.933 122.820 0.023 0.000 2.572 646 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 646 A C -0.415 177.157 177.584 -0.020 0.000 1.072 646 A CA -0.595 51.444 52.037 0.004 0.000 0.691 646 A CB 1.865 20.858 19.000 -0.011 0.000 1.291 646 A HN 0.662 nan 8.150 nan 0.000 0.404 647 T N 2.885 117.426 114.554 -0.021 0.000 2.749 647 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 647 T C -0.583 174.069 174.700 -0.081 0.000 0.970 647 T CA -0.347 61.723 62.100 -0.050 0.000 0.980 647 T CB 0.815 69.680 68.868 -0.005 0.000 0.924 647 T HN 0.554 nan 8.240 nan 0.000 0.456 648 Q N 1.853 121.500 119.800 -0.254 0.000 2.245 648 Q HA 0.603 4.943 4.340 -0.000 0.000 0.256 648 Q C -0.684 175.229 176.000 -0.147 0.000 0.942 648 Q CA -0.617 55.048 55.803 -0.230 0.000 0.896 648 Q CB 1.983 30.314 28.738 -0.678 0.000 1.272 648 Q HN 0.535 nan 8.270 nan 0.000 0.442 649 S N 2.032 117.777 115.700 0.076 0.000 2.647 649 S HA 0.528 4.998 4.470 -0.000 0.000 0.300 649 S C -0.385 174.315 174.600 0.167 0.000 1.129 649 S CA -0.585 57.688 58.200 0.122 0.000 1.029 649 S CB 0.616 63.880 63.200 0.107 0.000 1.007 649 S HN 0.374 nan 8.310 nan 0.000 0.484 650 I N 3.108 123.813 120.570 0.225 0.000 2.304 650 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 650 I C 0.291 176.522 176.117 0.190 0.000 1.018 650 I CA -0.296 61.132 61.300 0.213 0.000 1.260 650 I CB 0.454 38.628 38.000 0.291 0.000 1.390 650 I HN 0.622 nan 8.210 nan 0.000 0.475 651 H N 5.264 124.378 119.070 0.073 0.000 2.511 651 H HA 0.553 5.109 4.556 -0.000 0.000 0.346 651 H C -0.701 174.626 175.328 -0.001 0.000 1.128 651 H CA -0.169 55.863 56.048 -0.027 0.000 1.342 651 H CB 0.594 30.327 29.762 -0.048 0.000 1.470 651 H HN 0.750 nan 8.280 nan 0.000 0.546 652 H N 1.614 120.518 119.070 -0.276 0.000 2.851 652 H HA 0.607 5.163 4.556 -0.000 0.000 0.372 652 H C 0.236 175.445 175.328 -0.198 0.000 1.158 652 H CA -0.718 55.228 56.048 -0.170 0.000 1.159 652 H CB 1.197 30.853 29.762 -0.177 0.000 1.757 652 H HN 1.009 nan 8.280 nan 0.000 0.546 653 G N 0.132 108.921 108.800 -0.018 0.000 2.828 653 G HA2 0.297 4.257 3.960 -0.000 0.000 0.463 653 G HA3 0.297 4.257 3.960 -0.000 0.000 0.463 653 G C 0.553 175.456 174.900 0.005 0.000 1.394 653 G CA 0.467 45.533 45.100 -0.057 0.000 0.862 653 G HN 2.188 nan 8.290 nan 0.000 0.540 654 G N -0.569 108.274 108.800 0.072 0.000 2.564 654 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.273 654 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.273 654 G C 0.979 175.893 174.900 0.023 0.000 1.242 654 G CA 1.220 46.347 45.100 0.045 0.000 0.951 654 G HN 1.581 nan 8.290 nan 0.000 0.564 655 K N 0.923 121.245 120.400 -0.130 0.000 2.418 655 K HA 0.112 4.432 4.320 -0.000 0.000 0.195 655 K C 1.205 177.473 176.600 -0.553 0.000 1.035 655 K CA 1.209 57.358 56.287 -0.230 0.000 1.003 655 K CB 0.216 32.590 32.500 -0.210 0.000 0.793 655 K HN 0.547 nan 8.250 nan 0.000 0.494 656 E N 0.940 120.726 120.200 -0.689 0.000 2.939 656 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 656 E C -1.081 175.047 176.600 -0.786 0.000 1.025 656 E CA -0.409 55.126 56.400 -1.442 0.000 1.259 656 E CB 1.087 30.118 29.700 -1.115 0.000 1.228 656 E HN 0.151 nan 8.360 nan 0.000 0.443 657 A N 1.357 123.908 122.820 -0.447 0.000 2.457 657 A HA 0.142 4.462 4.320 -0.000 0.000 0.298 657 A C 0.479 178.168 177.584 0.175 0.000 1.288 657 A CA -0.102 51.874 52.037 -0.101 0.000 0.956 657 A CB -0.127 18.666 19.000 -0.346 0.000 1.135 657 A HN 0.085 nan 8.150 nan 0.000 0.535 658 T N 2.831 117.526 114.554 0.234 0.000 2.888 658 T HA 0.428 4.778 4.350 -0.000 0.000 0.301 658 T C 0.646 175.376 174.700 0.050 0.000 1.001 658 T CA 0.898 63.130 62.100 0.219 0.000 1.147 658 T CB 0.159 69.092 68.868 0.109 0.000 0.931 658 T HN 1.152 nan 8.240 nan 0.000 0.541 659 S N 2.408 118.090 115.700 -0.030 0.000 2.615 659 S HA 0.661 5.131 4.470 -0.000 0.000 0.269 659 S C -1.413 173.061 174.600 -0.209 0.000 1.161 659 S CA -1.116 56.969 58.200 -0.193 0.000 0.817 659 S CB 1.248 64.213 63.200 -0.391 0.000 1.131 659 S HN 0.425 nan 8.310 nan 0.000 0.467 660 I N 2.125 122.548 120.570 -0.244 0.000 2.330 660 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 660 I C -0.495 175.504 176.117 -0.197 0.000 1.001 660 I CA -0.659 60.516 61.300 -0.209 0.000 1.193 660 I CB 1.135 39.034 38.000 -0.168 0.000 1.345 660 I HN 0.660 nan 8.210 nan 0.000 0.461 661 L N 7.113 128.232 121.223 -0.173 0.000 2.407 661 L HA 0.280 4.620 4.340 -0.000 0.000 0.282 661 L C 0.028 176.849 176.870 -0.082 0.000 1.110 661 L CA -0.113 54.653 54.840 -0.123 0.000 0.863 661 L CB 0.019 42.022 42.059 -0.094 0.000 1.207 661 L HN 0.348 nan 8.230 nan 0.000 0.454 662 L N 6.522 127.721 121.223 -0.040 0.000 2.312 662 L HA 0.354 4.694 4.340 -0.000 0.000 0.281 662 L C -1.753 175.127 176.870 0.017 0.000 1.070 662 L CA -1.753 53.096 54.840 0.015 0.000 0.805 662 L CB 1.514 43.621 42.059 0.081 0.000 1.174 662 L HN 0.359 nan 8.230 nan 0.000 0.434 663 P HA 0.068 nan 4.420 nan 0.000 0.230 663 P C -0.286 177.015 177.300 0.001 0.000 1.791 663 P CA -0.109 62.975 63.100 -0.028 0.000 1.020 663 P CB 0.037 31.698 31.700 -0.064 0.000 1.977 664 V N 3.441 123.362 119.914 0.012 0.000 2.572 664 V HA 0.121 4.241 4.120 -0.000 0.000 0.291 664 V C 1.085 177.165 176.094 -0.023 0.000 1.039 664 V CA 0.063 62.370 62.300 0.010 0.000 1.055 664 V CB 1.166 32.974 31.823 -0.025 0.000 0.969 664 V HN 0.311 nan 8.190 nan 0.000 0.482 665 V N 2.584 122.492 119.914 -0.011 0.000 3.001 665 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 665 V C -0.370 175.718 176.094 -0.010 0.000 1.099 665 V CA -1.240 61.049 62.300 -0.018 0.000 0.989 665 V CB 1.875 33.691 31.823 -0.012 0.000 1.040 665 V HN 0.731 nan 8.190 nan 0.000 0.434 666 K N 0.000 120.395 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543