REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ryy_1_A DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVXXXX XQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSAEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.049 56.048 0.001 0.000 1.023 50 H CB 0.000 29.763 29.762 0.001 0.000 1.292 51 D N 4.211 124.556 120.400 -0.093 0.000 2.339 51 D HA 0.113 4.753 4.640 0.001 0.000 0.256 51 D C -1.343 174.860 176.300 -0.161 0.000 1.214 51 D CA -1.653 52.268 54.000 -0.132 0.000 0.877 51 D CB 1.678 42.453 40.800 -0.043 0.000 1.111 51 D HN 0.366 nan 8.370 nan 0.000 0.478 52 P HA -0.043 nan 4.420 nan 0.000 0.229 52 P C 1.453 178.723 177.300 -0.050 0.000 1.160 52 P CA 0.457 63.477 63.100 -0.133 0.000 0.777 52 P CB 0.464 32.084 31.700 -0.134 0.000 0.814 53 L N -1.602 119.594 121.223 -0.044 0.000 2.558 53 L HA 0.109 4.450 4.340 0.001 0.000 0.225 53 L C 2.159 179.025 176.870 -0.007 0.000 1.128 53 L CA 0.649 55.476 54.840 -0.021 0.000 0.868 53 L CB -0.241 41.805 42.059 -0.021 0.000 1.006 53 L HN -0.035 nan 8.230 nan 0.000 0.454 54 S N -1.621 114.077 115.700 -0.003 0.000 2.931 54 S HA 0.185 4.656 4.470 0.001 0.000 0.251 54 S C 0.477 175.096 174.600 0.032 0.000 1.078 54 S CA -0.182 58.026 58.200 0.012 0.000 0.835 54 S CB 0.850 64.057 63.200 0.012 0.000 0.798 54 S HN -0.050 nan 8.310 nan 0.000 0.495 55 V N 3.219 123.167 119.914 0.056 0.000 2.370 55 V HA 0.577 4.698 4.120 0.001 0.000 0.279 55 V C -0.497 175.674 176.094 0.128 0.000 1.029 55 V CA -0.558 61.807 62.300 0.107 0.000 0.870 55 V CB 1.097 33.035 31.823 0.192 0.000 0.984 55 V HN 0.312 nan 8.190 nan 0.000 0.451 56 Q N 3.407 123.258 119.800 0.086 0.000 2.368 56 Q HA 0.436 4.777 4.340 0.001 0.000 0.263 56 Q C 0.505 176.542 176.000 0.063 0.000 1.009 56 Q CA -0.084 55.763 55.803 0.075 0.000 0.818 56 Q CB 1.721 30.485 28.738 0.042 0.000 1.239 56 Q HN 0.871 nan 8.270 nan 0.000 0.464 57 T N 0.111 114.711 114.554 0.075 0.000 3.054 57 T HA 0.437 4.787 4.350 0.001 0.000 0.255 57 T C 0.724 175.440 174.700 0.027 0.000 1.035 57 T CA 0.152 62.269 62.100 0.029 0.000 0.941 57 T CB 0.606 69.463 68.868 -0.018 0.000 1.026 57 T HN 0.487 nan 8.240 nan 0.000 0.533 58 G N 0.983 109.807 108.800 0.039 0.000 3.039 58 G HA2 0.563 4.524 3.960 0.001 0.000 0.159 58 G HA3 0.563 4.524 3.960 0.001 0.000 0.159 58 G C -0.921 173.991 174.900 0.021 0.000 1.284 58 G CA -0.614 44.503 45.100 0.029 0.000 0.996 58 G HN 0.289 nan 8.290 nan 0.000 0.592 59 S N -1.014 114.698 115.700 0.019 0.000 2.525 59 S HA 0.378 4.849 4.470 0.001 0.000 0.290 59 S C -0.098 174.511 174.600 0.015 0.000 1.152 59 S CA -0.548 57.661 58.200 0.015 0.000 1.072 59 S CB 1.463 64.670 63.200 0.012 0.000 1.027 59 S HN 0.344 nan 8.310 nan 0.000 0.500 60 D N 2.610 123.017 120.400 0.013 0.000 2.340 60 D HA 0.226 4.866 4.640 0.001 0.000 0.220 60 D C -0.167 176.140 176.300 0.010 0.000 1.039 60 D CA 0.390 54.397 54.000 0.012 0.000 0.866 60 D CB -0.003 40.803 40.800 0.011 0.000 0.913 60 D HN 0.481 nan 8.370 nan 0.000 0.523 61 I N 3.134 123.710 120.570 0.010 0.000 2.312 61 I HA 0.150 4.320 4.170 0.001 0.000 0.291 61 I C -1.788 174.335 176.117 0.010 0.000 1.031 61 I CA -1.722 59.584 61.300 0.010 0.000 1.293 61 I CB 1.108 39.113 38.000 0.009 0.000 1.403 61 I HN -0.213 nan 8.210 nan 0.000 0.484 62 P HA 0.101 nan 4.420 nan 0.000 0.268 62 P C -0.178 177.128 177.300 0.010 0.000 1.205 62 P CA -0.241 62.864 63.100 0.009 0.000 0.771 62 P CB 1.326 33.032 31.700 0.009 0.000 0.858 63 A N 1.880 124.706 122.820 0.010 0.000 2.571 63 A HA 0.256 4.576 4.320 0.001 0.000 0.274 63 A C 0.919 178.509 177.584 0.010 0.000 1.196 63 A CA -0.116 51.927 52.037 0.011 0.000 0.957 63 A CB -0.035 18.971 19.000 0.011 0.000 1.150 63 A HN 0.497 nan 8.150 nan 0.000 0.539 64 S N 0.245 115.951 115.700 0.009 0.000 2.576 64 S HA 0.338 4.809 4.470 0.001 0.000 0.272 64 S C 0.920 175.526 174.600 0.010 0.000 1.352 64 S CA 0.130 58.335 58.200 0.009 0.000 1.021 64 S CB 0.885 64.090 63.200 0.007 0.000 0.887 64 S HN 0.773 nan 8.310 nan 0.000 0.542 72 Q N 0.902 120.672 119.800 -0.049 0.000 2.360 72 Q HA 0.258 4.599 4.340 0.001 0.000 0.202 72 Q C 0.027 175.999 176.000 -0.047 0.000 0.915 72 Q CA 0.116 55.897 55.803 -0.036 0.000 0.943 72 Q CB 0.707 29.431 28.738 -0.024 0.000 1.064 72 Q HN 0.143 nan 8.270 nan 0.000 0.511 73 R N 0.624 121.064 120.500 -0.099 0.000 2.674 73 R HA 0.057 4.397 4.340 0.001 0.000 0.266 73 R C 0.134 176.381 176.300 -0.088 0.000 1.016 73 R CA -0.136 55.875 56.100 -0.149 0.000 1.062 73 R CB 0.685 30.721 30.300 -0.439 0.000 1.142 73 R HN 0.035 nan 8.270 nan 0.000 0.517 74 D N 0.042 120.449 120.400 0.012 0.000 2.402 74 D HA 0.026 4.667 4.640 0.001 0.000 0.216 74 D C -0.557 175.841 176.300 0.164 0.000 1.128 74 D CA -0.074 53.975 54.000 0.083 0.000 0.833 74 D CB -0.057 40.809 40.800 0.108 0.000 0.971 74 D HN 0.450 nan 8.370 nan 0.000 0.503 75 Y N -1.913 118.402 120.300 0.024 0.000 2.625 75 Y HA 0.679 5.230 4.550 0.001 0.000 0.338 75 Y C -1.619 174.297 175.900 0.027 0.000 1.123 75 Y CA -1.777 56.340 58.100 0.028 0.000 1.046 75 Y CB 1.135 39.616 38.460 0.035 0.000 1.299 75 Y HN -0.236 nan 8.280 nan 0.000 0.464 76 I N 2.397 123.070 120.570 0.171 0.000 2.466 76 I HA 0.398 4.569 4.170 0.001 0.000 0.289 76 I C -0.861 175.385 176.117 0.216 0.000 1.026 76 I CA -0.870 60.477 61.300 0.079 0.000 1.078 76 I CB 2.119 40.149 38.000 0.050 0.000 1.249 76 I HN 0.590 nan 8.210 nan 0.000 0.429 77 K N 6.408 126.920 120.400 0.188 0.000 2.265 77 K HA 0.550 4.870 4.320 0.001 0.000 0.267 77 K C -0.753 175.915 176.600 0.114 0.000 0.994 77 K CA -0.676 55.731 56.287 0.200 0.000 0.860 77 K CB 1.159 33.816 32.500 0.260 0.000 1.099 77 K HN 0.532 nan 8.250 nan 0.000 0.448 78 R N 2.743 123.298 120.500 0.091 0.000 2.445 78 R HA 0.213 4.554 4.340 0.001 0.000 0.308 78 R C -0.952 175.359 176.300 0.019 0.000 0.961 78 R CA -0.533 55.607 56.100 0.067 0.000 0.862 78 R CB 1.531 31.881 30.300 0.083 0.000 1.144 78 R HN 0.600 nan 8.270 nan 0.000 0.447 79 E N 3.067 123.275 120.200 0.013 0.000 2.114 79 E HA 0.279 4.629 4.350 0.001 0.000 0.266 79 E C -0.958 175.609 176.600 -0.054 0.000 0.896 79 E CA -0.670 55.693 56.400 -0.063 0.000 0.750 79 E CB 1.759 31.502 29.700 0.072 0.000 1.121 79 E HN 0.295 nan 8.360 nan 0.000 0.413 80 V N -0.084 119.730 119.914 -0.167 0.000 2.962 80 V HA 0.542 4.663 4.120 0.001 0.000 0.313 80 V C -0.340 175.613 176.094 -0.235 0.000 1.099 80 V CA -1.174 61.037 62.300 -0.148 0.000 0.971 80 V CB 2.074 33.810 31.823 -0.146 0.000 1.028 80 V HN 0.546 nan 8.190 nan 0.000 0.430 81 M N 3.115 122.615 119.600 -0.166 0.000 2.152 81 M HA 0.422 4.902 4.480 0.001 0.000 0.354 81 M C -0.589 175.533 176.300 -0.297 0.000 1.173 81 M CA -0.394 54.822 55.300 -0.140 0.000 1.110 81 M CB 0.819 33.405 32.600 -0.023 0.000 1.366 81 M HN 0.570 nan 8.290 nan 0.000 0.415 82 V N 7.256 126.902 119.914 -0.446 0.000 2.427 82 V HA 0.222 4.343 4.120 0.001 0.000 0.268 82 V C -1.825 174.095 176.094 -0.290 0.000 1.046 82 V CA -1.116 60.796 62.300 -0.647 0.000 0.970 82 V CB 0.641 31.997 31.823 -0.778 0.000 1.001 82 V HN 0.547 nan 8.190 nan 0.000 0.476 83 P HA 0.285 nan 4.420 nan 0.000 0.281 83 P C -0.444 176.862 177.300 0.010 0.000 1.252 83 P CA -0.416 62.657 63.100 -0.044 0.000 0.778 83 P CB 0.950 32.659 31.700 0.014 0.000 0.895 84 M N 3.023 122.641 119.600 0.029 0.000 2.219 84 M HA 0.249 4.729 4.480 0.001 0.000 0.280 84 M C 2.109 178.451 176.300 0.071 0.000 1.189 84 M CA -0.491 54.846 55.300 0.062 0.000 1.010 84 M CB 0.137 32.772 32.600 0.058 0.000 1.422 84 M HN 0.399 nan 8.290 nan 0.000 0.504 85 R N 0.689 121.234 120.500 0.075 0.000 2.193 85 R HA -0.123 4.218 4.340 0.001 0.000 0.229 85 R C 0.478 176.800 176.300 0.038 0.000 1.110 85 R CA 1.724 57.858 56.100 0.056 0.000 0.988 85 R CB -0.520 29.799 30.300 0.033 0.000 0.871 85 R HN 0.678 nan 8.270 nan 0.000 0.458 86 D N -0.592 119.830 120.400 0.037 0.000 2.342 86 D HA 0.096 4.737 4.640 0.001 0.000 0.221 86 D C 1.053 177.373 176.300 0.033 0.000 1.101 86 D CA 0.479 54.498 54.000 0.031 0.000 0.837 86 D CB 0.537 41.355 40.800 0.030 0.000 0.938 86 D HN 0.406 nan 8.370 nan 0.000 0.508 87 G N -0.021 108.801 108.800 0.037 0.000 2.217 87 G HA2 -0.280 3.680 3.960 0.001 0.000 0.246 87 G HA3 -0.280 3.680 3.960 0.001 0.000 0.246 87 G C 0.254 175.172 174.900 0.031 0.000 0.990 87 G CA 0.162 45.283 45.100 0.034 0.000 0.627 87 G HN 0.366 nan 8.290 nan 0.000 0.522 88 V N 1.821 121.756 119.914 0.034 0.000 2.521 88 V HA 0.335 4.456 4.120 0.001 0.000 0.286 88 V C 0.805 176.914 176.094 0.025 0.000 1.034 88 V CA 0.386 62.706 62.300 0.034 0.000 1.045 88 V CB 1.194 33.044 31.823 0.045 0.000 0.974 88 V HN 0.365 nan 8.190 nan 0.000 0.480 89 K N 5.663 126.075 120.400 0.019 0.000 2.172 89 K HA 0.620 4.941 4.320 0.001 0.000 0.276 89 K C -0.872 175.736 176.600 0.014 0.000 1.013 89 K CA -0.351 55.935 56.287 -0.002 0.000 0.913 89 K CB 1.236 33.734 32.500 -0.003 0.000 1.055 89 K HN 0.498 nan 8.250 nan 0.000 0.461 90 L N 3.351 124.564 121.223 -0.017 0.000 2.322 90 L HA 0.311 4.652 4.340 0.001 0.000 0.281 90 L C -0.647 176.234 176.870 0.019 0.000 1.014 90 L CA -1.165 53.688 54.840 0.021 0.000 0.815 90 L CB 0.892 42.955 42.059 0.007 0.000 1.247 90 L HN 0.603 nan 8.230 nan 0.000 0.421 91 Y N 2.955 123.239 120.300 -0.025 0.000 2.537 91 Y HA 0.128 4.678 4.550 0.001 0.000 0.339 91 Y C -0.137 175.751 175.900 -0.020 0.000 1.066 91 Y CA 0.114 58.201 58.100 -0.022 0.000 1.357 91 Y CB 0.469 38.940 38.460 0.017 0.000 1.175 91 Y HN 0.456 nan 8.280 nan 0.000 0.525 92 T N 6.526 120.780 114.554 -0.500 0.000 2.824 92 T HA 0.509 4.860 4.350 0.001 0.000 0.282 92 T C -1.042 173.371 174.700 -0.478 0.000 0.993 92 T CA -0.728 61.139 62.100 -0.388 0.000 0.967 92 T CB 1.112 69.804 68.868 -0.293 0.000 0.960 92 T HN 0.368 nan 8.240 nan 0.000 0.441 93 V N 4.413 124.158 119.914 -0.282 0.000 2.384 93 V HA 0.525 4.646 4.120 0.001 0.000 0.287 93 V C -0.249 175.838 176.094 -0.012 0.000 1.020 93 V CA -0.858 61.349 62.300 -0.155 0.000 0.850 93 V CB 0.967 32.767 31.823 -0.038 0.000 0.987 93 V HN 0.807 nan 8.190 nan 0.000 0.436 94 I N 4.988 125.565 120.570 0.011 0.000 2.355 94 I HA 0.414 4.585 4.170 0.001 0.000 0.288 94 I C -0.466 175.698 176.117 0.080 0.000 0.999 94 I CA -0.700 60.630 61.300 0.051 0.000 1.163 94 I CB 1.838 39.882 38.000 0.073 0.000 1.316 94 I HN 0.319 nan 8.210 nan 0.000 0.454 95 V N 7.729 127.690 119.914 0.078 0.000 2.333 95 V HA 0.424 4.545 4.120 0.001 0.000 0.274 95 V C 0.074 176.224 176.094 0.092 0.000 1.028 95 V CA -0.335 62.022 62.300 0.094 0.000 0.851 95 V CB 0.908 32.746 31.823 0.024 0.000 1.000 95 V HN 0.491 nan 8.190 nan 0.000 0.456 96 I N 7.602 128.250 120.570 0.129 0.000 2.378 96 I HA 0.413 4.583 4.170 0.001 0.000 0.291 96 I C -2.269 173.930 176.117 0.137 0.000 0.992 96 I CA -2.279 59.083 61.300 0.103 0.000 1.154 96 I CB 2.460 40.505 38.000 0.075 0.000 1.315 96 I HN 0.384 nan 8.210 nan 0.000 0.448 97 P HA 0.044 nan 4.420 nan 0.000 0.267 97 P C 0.297 177.649 177.300 0.087 0.000 1.205 97 P CA -0.212 62.960 63.100 0.120 0.000 0.765 97 P CB 0.891 32.644 31.700 0.087 0.000 0.828 98 K N 3.021 123.472 120.400 0.086 0.000 2.242 98 K HA -0.214 4.107 4.320 0.001 0.000 0.206 98 K C 1.273 177.890 176.600 0.027 0.000 1.045 98 K CA 1.797 58.110 56.287 0.043 0.000 0.930 98 K CB -0.117 32.398 32.500 0.024 0.000 0.726 98 K HN 0.540 nan 8.250 nan 0.000 0.462 99 N N -0.720 117.997 118.700 0.029 0.000 2.235 99 N HA 0.055 4.795 4.740 0.001 0.000 0.209 99 N C -0.438 175.078 175.510 0.010 0.000 1.122 99 N CA 0.038 53.098 53.050 0.016 0.000 0.845 99 N CB 0.283 38.780 38.487 0.015 0.000 1.004 99 N HN -0.001 nan 8.380 nan 0.000 0.499 100 A N 1.083 123.911 122.820 0.013 0.000 2.425 100 A HA 0.409 4.730 4.320 0.001 0.000 0.249 100 A C 0.963 178.539 177.584 -0.013 0.000 1.084 100 A CA -0.435 51.602 52.037 -0.001 0.000 0.781 100 A CB 0.631 19.633 19.000 0.004 0.000 1.019 100 A HN 0.390 nan 8.150 nan 0.000 0.490 101 R N 1.168 121.653 120.500 -0.026 0.000 2.622 101 R HA 0.178 4.518 4.340 0.001 0.000 0.180 101 R C -0.222 176.051 176.300 -0.046 0.000 0.813 101 R CA -0.130 55.951 56.100 -0.032 0.000 1.049 101 R CB 0.325 30.609 30.300 -0.028 0.000 1.438 101 R HN 0.610 nan 8.270 nan 0.000 0.636 102 N N 1.094 119.760 118.700 -0.056 0.000 2.553 102 N HA 0.297 5.038 4.740 0.001 0.000 0.298 102 N C -1.252 174.197 175.510 -0.102 0.000 1.596 102 N CA -0.037 52.968 53.050 -0.074 0.000 0.910 102 N CB 1.527 39.973 38.487 -0.068 0.000 1.336 102 N HN 0.210 nan 8.380 nan 0.000 0.497 103 A N 1.471 124.228 122.820 -0.105 0.000 2.388 103 A HA 0.496 4.817 4.320 0.001 0.000 0.257 103 A C -2.121 175.336 177.584 -0.213 0.000 1.095 103 A CA -0.917 51.026 52.037 -0.156 0.000 0.791 103 A CB 0.225 19.162 19.000 -0.106 0.000 1.029 103 A HN 0.109 nan 8.150 nan 0.000 0.489 104 P HA 0.325 nan 4.420 nan 0.000 0.274 104 P C -0.738 176.398 177.300 -0.273 0.000 1.246 104 P CA 0.008 62.880 63.100 -0.379 0.000 0.795 104 P CB 0.717 32.028 31.700 -0.649 0.000 1.006 105 I N 0.982 121.460 120.570 -0.155 0.000 2.378 105 I HA 0.261 4.431 4.170 0.001 0.000 0.291 105 I C -0.028 176.086 176.117 -0.005 0.000 0.992 105 I CA -0.968 60.293 61.300 -0.065 0.000 1.154 105 I CB 1.659 39.610 38.000 -0.081 0.000 1.315 105 I HN 0.142 nan 8.210 nan 0.000 0.448 106 L N 7.981 129.211 121.223 0.012 0.000 2.276 106 L HA 0.510 4.851 4.340 0.001 0.000 0.286 106 L C -0.879 175.880 176.870 -0.185 0.000 1.024 106 L CA -0.323 54.461 54.840 -0.094 0.000 0.826 106 L CB 1.190 43.072 42.059 -0.296 0.000 1.211 106 L HN 0.499 nan 8.230 nan 0.000 0.422 107 L N 4.440 125.568 121.223 -0.158 0.000 2.325 107 L HA 0.818 5.158 4.340 0.001 0.000 0.278 107 L C -0.700 176.044 176.870 -0.211 0.000 1.023 107 L CA 0.363 55.089 54.840 -0.189 0.000 0.811 107 L CB 2.226 44.216 42.059 -0.115 0.000 1.249 107 L HN 0.590 nan 8.230 nan 0.000 0.431 108 T N 4.224 118.610 114.554 -0.280 0.000 3.031 108 T HA 0.461 4.811 4.350 0.001 0.000 0.305 108 T C -0.704 173.983 174.700 -0.022 0.000 0.985 108 T CA -0.543 61.445 62.100 -0.187 0.000 1.008 108 T CB 0.876 69.531 68.868 -0.357 0.000 1.005 108 T HN 0.590 nan 8.240 nan 0.000 0.444 109 R N 1.890 122.420 120.500 0.051 0.000 2.254 109 R HA 0.689 5.030 4.340 0.001 0.000 0.318 109 R C -0.048 176.344 176.300 0.153 0.000 1.031 109 R CA -0.625 55.536 56.100 0.102 0.000 0.905 109 R CB 1.401 31.750 30.300 0.080 0.000 1.050 109 R HN 0.521 nan 8.270 nan 0.000 0.456 110 T N 2.163 116.821 114.554 0.173 0.000 2.916 110 T HA 0.394 4.744 4.350 0.001 0.000 0.305 110 T C -2.423 172.313 174.700 0.060 0.000 1.119 110 T CA -1.911 60.265 62.100 0.127 0.000 1.008 110 T CB 1.950 70.955 68.868 0.228 0.000 1.129 110 T HN 0.349 nan 8.240 nan 0.000 0.480 111 P HA 0.250 nan 4.420 nan 0.000 0.266 111 P C -0.333 176.972 177.300 0.009 0.000 1.381 111 P CA -0.100 62.957 63.100 -0.071 0.000 0.940 111 P CB -0.141 31.486 31.700 -0.122 0.000 1.435 112 Y N 0.492 120.876 120.300 0.139 0.000 2.683 112 Y HA 0.293 4.844 4.550 0.001 0.000 0.297 112 Y C 0.636 176.396 175.900 -0.233 0.000 1.147 112 Y CA -1.514 56.614 58.100 0.047 0.000 1.274 112 Y CB -1.215 37.299 38.460 0.090 0.000 1.143 112 Y HN 0.118 nan 8.280 nan 0.000 0.527 113 N N 0.083 118.552 118.700 -0.385 0.000 2.483 113 N HA -0.202 4.538 4.740 0.001 0.000 0.280 113 N C 0.885 176.224 175.510 -0.285 0.000 1.315 113 N CA 0.220 52.803 53.050 -0.778 0.000 0.637 113 N CB -0.312 37.442 38.487 -1.221 0.000 0.893 113 N HN 0.445 nan 8.380 nan 0.000 0.535 114 A N 3.723 126.500 122.820 -0.072 0.000 1.892 114 A HA -0.236 4.084 4.320 0.001 0.000 0.218 114 A C 1.944 179.530 177.584 0.004 0.000 1.188 114 A CA 2.072 54.135 52.037 0.044 0.000 0.631 114 A CB -0.363 18.783 19.000 0.244 0.000 0.822 114 A HN 0.780 nan 8.150 nan 0.000 0.447 115 K N -0.880 119.595 120.400 0.124 0.000 2.103 115 K HA -0.139 4.182 4.320 0.001 0.000 0.207 115 K C 1.963 178.539 176.600 -0.041 0.000 1.048 115 K CA 1.562 57.921 56.287 0.120 0.000 0.930 115 K CB -0.497 32.057 32.500 0.091 0.000 0.716 115 K HN 0.425 nan 8.250 nan 0.000 0.444 116 G N 0.486 109.206 108.800 -0.133 0.000 2.394 116 G HA2 -0.176 3.784 3.960 0.001 0.000 0.215 116 G HA3 -0.176 3.784 3.960 0.001 0.000 0.215 116 G C 1.400 176.178 174.900 -0.203 0.000 1.165 116 G CA 0.066 45.077 45.100 -0.150 0.000 0.784 116 G HN 0.145 nan 8.290 nan 0.000 0.535 117 R N 0.880 121.181 120.500 -0.331 0.000 2.120 117 R HA 0.029 4.369 4.340 0.001 0.000 0.234 117 R C 2.267 178.184 176.300 -0.639 0.000 1.123 117 R CA 1.053 56.808 56.100 -0.575 0.000 0.975 117 R CB -0.636 29.070 30.300 -0.990 0.000 0.866 117 R HN 0.334 nan 8.270 nan 0.000 0.446 118 A N 0.834 123.380 122.820 -0.457 0.000 2.411 118 A HA 0.118 4.439 4.320 0.001 0.000 0.251 118 A C 0.152 177.676 177.584 -0.100 0.000 1.317 118 A CA -0.098 51.824 52.037 -0.192 0.000 0.904 118 A CB -0.036 18.962 19.000 -0.004 0.000 0.993 118 A HN 0.071 nan 8.150 nan 0.000 0.504 119 N N -0.030 118.601 118.700 -0.114 0.000 2.664 119 N HA 0.113 4.853 4.740 0.001 0.000 0.287 119 N C 0.911 176.390 175.510 -0.052 0.000 1.869 119 N CA -0.269 52.749 53.050 -0.055 0.000 0.832 119 N CB 0.235 38.705 38.487 -0.028 0.000 1.293 119 N HN 0.412 nan 8.380 nan 0.000 0.498 120 R N -0.327 120.140 120.500 -0.056 0.000 2.096 120 R HA -0.009 4.331 4.340 0.001 0.000 0.240 120 R C -0.207 176.087 176.300 -0.010 0.000 1.139 120 R CA 1.307 57.389 56.100 -0.030 0.000 0.952 120 R CB 0.222 30.510 30.300 -0.019 0.000 0.854 120 R HN -0.002 nan 8.270 nan 0.000 0.436 121 V N 4.158 124.069 119.914 -0.005 0.000 2.304 121 V HA 0.248 4.369 4.120 0.001 0.000 0.278 121 V C -2.284 173.823 176.094 0.021 0.000 1.018 121 V CA -1.851 60.456 62.300 0.012 0.000 0.814 121 V CB 1.514 33.348 31.823 0.019 0.000 1.021 121 V HN 0.210 nan 8.190 nan 0.000 0.440 122 P HA -0.045 nan 4.420 nan 0.000 0.258 122 P C 0.291 177.626 177.300 0.058 0.000 1.172 122 P CA 0.666 63.785 63.100 0.032 0.000 0.762 122 P CB -0.081 31.633 31.700 0.024 0.000 0.764 123 N N -0.358 118.395 118.700 0.088 0.000 2.716 123 N HA -0.206 4.534 4.740 0.001 0.000 0.250 123 N C 0.347 175.947 175.510 0.150 0.000 1.033 123 N CA 0.441 53.570 53.050 0.132 0.000 0.727 123 N CB -1.271 37.269 38.487 0.087 0.000 0.950 123 N HN 0.632 nan 8.380 nan 0.000 0.541 124 A N -0.163 122.756 122.820 0.166 0.000 2.475 124 A HA 0.227 4.547 4.320 0.001 0.000 0.239 124 A C 1.405 179.132 177.584 0.239 0.000 1.087 124 A CA 0.049 52.181 52.037 0.159 0.000 0.779 124 A CB 0.284 19.350 19.000 0.110 0.000 1.036 124 A HN 0.365 nan 8.150 nan 0.000 0.506 125 L N -0.060 121.260 121.223 0.161 0.000 2.341 125 L HA 0.059 4.399 4.340 0.001 0.000 0.214 125 L C 1.097 178.094 176.870 0.211 0.000 1.115 125 L CA 1.205 56.125 54.840 0.133 0.000 0.820 125 L CB -0.624 41.474 42.059 0.066 0.000 0.944 125 L HN 0.907 nan 8.230 nan 0.000 0.452 126 T N -4.684 110.012 114.554 0.238 0.000 2.887 126 T HA 0.272 4.623 4.350 0.001 0.000 0.288 126 T C 0.596 175.390 174.700 0.155 0.000 1.021 126 T CA -0.666 61.566 62.100 0.221 0.000 1.000 126 T CB 2.407 71.339 68.868 0.106 0.000 1.034 126 T HN -0.036 nan 8.240 nan 0.000 0.467 127 M N 0.694 120.357 119.600 0.105 0.000 2.159 127 M HA -0.039 4.441 4.480 0.001 0.000 0.263 127 M C 2.359 178.585 176.300 -0.123 0.000 1.063 127 M CA 1.529 56.709 55.300 -0.199 0.000 1.110 127 M CB -0.206 32.356 32.600 -0.064 0.000 1.374 127 M HN 0.751 nan 8.290 nan 0.000 0.411 128 R N 0.508 120.991 120.500 -0.029 0.000 2.096 128 R HA -0.133 4.208 4.340 0.001 0.000 0.235 128 R C 1.671 177.956 176.300 -0.024 0.000 1.127 128 R CA 1.997 58.086 56.100 -0.019 0.000 0.968 128 R CB -0.278 30.023 30.300 0.000 0.000 0.861 128 R HN 0.510 nan 8.270 nan 0.000 0.440 129 E N -0.993 119.197 120.200 -0.016 0.000 2.076 129 E HA -0.095 4.255 4.350 0.001 0.000 0.190 129 E C 1.843 178.425 176.600 -0.031 0.000 0.979 129 E CA 1.086 57.481 56.400 -0.007 0.000 0.807 129 E CB -0.010 29.703 29.700 0.023 0.000 0.761 129 E HN 0.123 nan 8.360 nan 0.000 0.454 130 V N 1.311 121.175 119.914 -0.084 0.000 2.490 130 V HA -0.107 4.014 4.120 0.001 0.000 0.250 130 V C 0.979 177.008 176.094 -0.107 0.000 1.061 130 V CA 0.994 63.217 62.300 -0.128 0.000 1.064 130 V CB -0.034 31.610 31.823 -0.299 0.000 0.670 130 V HN 0.066 nan 8.190 nan 0.000 0.461 131 L N 0.207 121.378 121.223 -0.087 0.000 2.375 131 L HA 0.412 4.752 4.340 0.001 0.000 0.268 131 L C -2.172 174.697 176.870 -0.001 0.000 1.058 131 L CA -2.019 52.811 54.840 -0.017 0.000 0.803 131 L CB 0.771 42.839 42.059 0.015 0.000 1.212 131 L HN -0.011 nan 8.230 nan 0.000 0.451 132 P HA -0.024 nan 4.420 nan 0.000 0.271 132 P C -0.004 177.283 177.300 -0.022 0.000 1.233 132 P CA -0.212 62.890 63.100 0.003 0.000 0.789 132 P CB 0.499 32.210 31.700 0.019 0.000 0.951 133 Q N 1.150 120.914 119.800 -0.060 0.000 2.135 133 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 133 Q C 1.968 177.906 176.000 -0.103 0.000 0.981 133 Q CA 2.138 57.896 55.803 -0.076 0.000 0.856 133 Q CB -1.006 27.690 28.738 -0.070 0.000 0.902 133 Q HN 0.697 nan 8.270 nan 0.000 0.425 134 G N -0.270 108.425 108.800 -0.174 0.000 2.625 134 G HA2 -0.180 3.781 3.960 0.001 0.000 0.214 134 G HA3 -0.180 3.781 3.960 0.001 0.000 0.214 134 G C 0.447 175.365 174.900 0.030 0.000 1.132 134 G CA 0.785 45.820 45.100 -0.108 0.000 0.782 134 G HN 0.351 nan 8.290 nan 0.000 0.538 135 D N 0.484 120.906 120.400 0.037 0.000 2.349 135 D HA 0.047 4.688 4.640 0.001 0.000 0.214 135 D C 1.986 178.315 176.300 0.048 0.000 1.063 135 D CA 0.397 54.459 54.000 0.103 0.000 0.847 135 D CB 0.143 40.990 40.800 0.078 0.000 0.933 135 D HN 0.367 nan 8.370 nan 0.000 0.513 136 D N 0.972 121.365 120.400 -0.012 0.000 2.154 136 D HA -0.232 4.409 4.640 0.001 0.000 0.190 136 D C 2.011 178.245 176.300 -0.110 0.000 1.003 136 D CA 2.114 56.089 54.000 -0.042 0.000 0.849 136 D CB -0.955 39.830 40.800 -0.024 0.000 0.942 136 D HN 0.273 nan 8.370 nan 0.000 0.446 137 V N -2.559 117.203 119.914 -0.253 0.000 2.626 137 V HA -0.086 4.034 4.120 0.001 0.000 0.252 137 V C 2.382 178.108 176.094 -0.613 0.000 1.067 137 V CA 1.225 63.243 62.300 -0.470 0.000 1.081 137 V CB -1.257 30.146 31.823 -0.699 0.000 0.686 137 V HN 0.020 nan 8.190 nan 0.000 0.468 138 F N 0.266 120.000 119.950 -0.360 0.000 2.416 138 F HA 0.160 4.687 4.527 0.001 0.000 0.296 138 F C 2.304 178.008 175.800 -0.159 0.000 1.099 138 F CA 1.026 58.742 58.000 -0.472 0.000 1.427 138 F CB -0.565 38.042 39.000 -0.654 0.000 1.079 138 F HN -0.011 nan 8.300 nan 0.000 0.536 139 V N -0.393 119.539 119.914 0.030 0.000 2.488 139 V HA -0.194 3.927 4.120 0.001 0.000 0.246 139 V C 2.067 178.182 176.094 0.034 0.000 1.046 139 V CA 1.598 63.926 62.300 0.047 0.000 1.053 139 V CB -0.439 31.394 31.823 0.017 0.000 0.679 139 V HN 0.219 nan 8.190 nan 0.000 0.458 140 E N 0.410 120.599 120.200 -0.018 0.000 2.204 140 E HA -0.104 4.247 4.350 0.001 0.000 0.194 140 E C 2.158 178.762 176.600 0.006 0.000 0.989 140 E CA 1.068 57.456 56.400 -0.020 0.000 0.824 140 E CB -0.289 29.377 29.700 -0.058 0.000 0.756 140 E HN 0.610 nan 8.360 nan 0.000 0.477 141 G N -0.788 108.031 108.800 0.032 0.000 2.880 141 G HA2 0.128 4.088 3.960 0.001 0.000 0.209 141 G HA3 0.128 4.088 3.960 0.001 0.000 0.209 141 G C 0.954 175.987 174.900 0.222 0.000 1.157 141 G CA 0.162 45.346 45.100 0.141 0.000 0.779 141 G HN 0.380 nan 8.290 nan 0.000 0.539 142 G N -1.017 107.894 108.800 0.186 0.000 2.198 142 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 142 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 142 G C 0.042 175.042 174.900 0.167 0.000 1.042 142 G CA -0.051 45.132 45.100 0.138 0.000 0.791 142 G HN 0.344 nan 8.290 nan 0.000 0.502 143 Y N -0.832 119.495 120.300 0.045 0.000 2.298 143 Y HA 0.609 5.160 4.550 0.001 0.000 0.329 143 Y C 1.398 177.303 175.900 0.009 0.000 1.293 143 Y CA -0.769 57.353 58.100 0.038 0.000 1.388 143 Y CB 0.683 39.191 38.460 0.081 0.000 1.309 143 Y HN 0.179 nan 8.280 nan 0.000 0.544 144 I N 3.017 123.651 120.570 0.107 0.000 2.336 144 I HA 0.278 4.448 4.170 0.001 0.000 0.292 144 I C -0.267 175.875 176.117 0.042 0.000 0.991 144 I CA -0.795 60.537 61.300 0.053 0.000 1.227 144 I CB 1.028 39.029 38.000 0.002 0.000 1.366 144 I HN 0.340 nan 8.210 nan 0.000 0.466 145 R N 5.547 126.061 120.500 0.024 0.000 2.312 145 R HA 0.614 4.955 4.340 0.001 0.000 0.311 145 R C -1.500 174.770 176.300 -0.050 0.000 1.004 145 R CA -0.460 55.615 56.100 -0.041 0.000 0.902 145 R CB 1.164 31.459 30.300 -0.007 0.000 1.073 145 R HN 0.383 nan 8.270 nan 0.000 0.457 146 V N 5.760 125.579 119.914 -0.158 0.000 2.531 146 V HA 0.504 4.625 4.120 0.001 0.000 0.301 146 V C -1.116 174.830 176.094 -0.247 0.000 1.034 146 V CA -0.615 61.616 62.300 -0.115 0.000 0.865 146 V CB 1.491 33.268 31.823 -0.077 0.000 0.995 146 V HN 0.586 nan 8.190 nan 0.000 0.424 147 F N 3.363 123.295 119.950 -0.029 0.000 2.477 147 F HA 0.587 5.115 4.527 0.001 0.000 0.335 147 F C 0.079 175.863 175.800 -0.026 0.000 1.130 147 F CA -0.267 57.726 58.000 -0.011 0.000 0.948 147 F CB 1.936 40.938 39.000 0.003 0.000 1.154 147 F HN 0.436 nan 8.300 nan 0.000 0.439 148 Q N 3.053 122.961 119.800 0.180 0.000 2.353 148 Q HA 0.306 4.646 4.340 0.001 0.000 0.268 148 Q C -1.523 174.575 176.000 0.163 0.000 1.045 148 Q CA -0.941 54.927 55.803 0.108 0.000 0.811 148 Q CB 1.849 30.605 28.738 0.029 0.000 1.305 148 Q HN 0.460 nan 8.270 nan 0.000 0.447 149 D N 3.830 124.344 120.400 0.192 0.000 2.348 149 D HA 0.204 4.844 4.640 0.001 0.000 0.253 149 D C 0.302 176.696 176.300 0.156 0.000 1.161 149 D CA -0.011 54.108 54.000 0.199 0.000 0.876 149 D CB 0.539 41.496 40.800 0.262 0.000 1.160 149 D HN 0.532 nan 8.370 nan 0.000 0.459 150 I N -0.778 119.881 120.570 0.148 0.000 3.004 150 I HA 0.233 4.403 4.170 0.001 0.000 0.287 150 I C 0.838 177.051 176.117 0.160 0.000 1.144 150 I CA -0.900 60.495 61.300 0.158 0.000 1.353 150 I CB 0.646 38.767 38.000 0.202 0.000 1.417 150 I HN 0.158 nan 8.210 nan 0.000 0.602 151 R N 3.261 123.864 120.500 0.172 0.000 2.526 151 R HA 0.052 4.393 4.340 0.001 0.000 0.319 151 R C 1.034 177.463 176.300 0.216 0.000 0.888 151 R CA 1.354 57.556 56.100 0.169 0.000 1.127 151 R CB -0.638 29.759 30.300 0.161 0.000 0.888 151 R HN 1.182 nan 8.270 nan 0.000 0.410 152 G N 3.023 111.909 108.800 0.144 0.000 2.176 152 G HA2 -0.224 3.737 3.960 0.001 0.000 0.253 152 G HA3 -0.224 3.737 3.960 0.001 0.000 0.253 152 G C -0.370 174.517 174.900 -0.022 0.000 0.979 152 G CA 0.173 45.349 45.100 0.127 0.000 0.641 152 G HN 0.514 nan 8.290 nan 0.000 0.530 153 K N -0.496 119.869 120.400 -0.058 0.000 2.270 153 K HA 0.675 4.995 4.320 0.001 0.000 0.255 153 K C 0.906 177.530 176.600 0.039 0.000 0.936 153 K CA -0.858 55.338 56.287 -0.151 0.000 0.809 153 K CB 1.274 33.666 32.500 -0.180 0.000 1.131 153 K HN 0.205 nan 8.250 nan 0.000 0.427 154 Y N 0.304 120.542 120.300 -0.105 0.000 2.798 154 Y HA -0.449 4.101 4.550 0.001 0.000 0.472 154 Y C 1.759 177.587 175.900 -0.121 0.000 1.128 154 Y CA 2.159 60.199 58.100 -0.099 0.000 2.775 154 Y CB -1.475 36.932 38.460 -0.087 0.000 1.152 154 Y HN 0.769 nan 8.280 nan 0.000 0.616 155 G N -0.052 108.758 108.800 0.017 0.000 2.920 155 G HA2 0.236 4.197 3.960 0.001 0.000 0.208 155 G HA3 0.236 4.197 3.960 0.001 0.000 0.208 155 G C 0.180 175.099 174.900 0.032 0.000 1.159 155 G CA 0.747 45.756 45.100 -0.152 0.000 0.784 155 G HN 0.278 nan 8.290 nan 0.000 0.535 156 S N 0.174 115.929 115.700 0.091 0.000 2.610 156 S HA 0.407 4.877 4.470 0.001 0.000 0.273 156 S C 0.280 174.915 174.600 0.058 0.000 1.274 156 S CA -0.551 57.709 58.200 0.100 0.000 1.023 156 S CB 1.488 64.759 63.200 0.119 0.000 0.962 156 S HN 0.434 nan 8.310 nan 0.000 0.523 157 Q N 0.455 120.290 119.800 0.057 0.000 2.162 157 Q HA 0.668 5.009 4.340 0.001 0.000 0.197 157 Q C 0.626 176.661 176.000 0.058 0.000 1.013 157 Q CA -0.562 55.268 55.803 0.045 0.000 1.040 157 Q CB 0.429 29.190 28.738 0.038 0.000 1.114 157 Q HN 0.959 nan 8.270 nan 0.000 0.547 158 G N 0.510 109.342 108.800 0.053 0.000 2.757 158 G HA2 -0.159 3.802 3.960 0.001 0.000 0.638 158 G HA3 -0.159 3.802 3.960 0.001 0.000 0.638 158 G C -1.394 173.553 174.900 0.079 0.000 1.344 158 G CA -0.685 44.454 45.100 0.065 0.000 0.855 158 G HN 0.567 nan 8.290 nan 0.000 0.537 159 D N -0.447 120.005 120.400 0.087 0.000 2.210 159 D HA 0.487 5.128 4.640 0.001 0.000 0.249 159 D C -0.354 176.044 176.300 0.163 0.000 1.062 159 D CA 0.166 54.225 54.000 0.100 0.000 0.891 159 D CB 1.388 42.228 40.800 0.066 0.000 1.186 159 D HN 0.442 nan 8.370 nan 0.000 0.432 160 Y N 1.601 121.918 120.300 0.028 0.000 2.328 160 Y HA 0.393 4.944 4.550 0.001 0.000 0.337 160 Y C -1.031 174.892 175.900 0.038 0.000 1.008 160 Y CA -0.689 57.432 58.100 0.035 0.000 1.129 160 Y CB 0.903 39.374 38.460 0.018 0.000 1.185 160 Y HN 0.023 nan 8.280 nan 0.000 0.476 161 V N 8.553 128.154 119.914 -0.522 0.000 2.409 161 V HA 0.196 4.316 4.120 0.001 0.000 0.290 161 V C -0.121 175.542 176.094 -0.719 0.000 1.017 161 V CA -1.035 60.992 62.300 -0.454 0.000 0.841 161 V CB 1.126 32.872 31.823 -0.128 0.000 1.003 161 V HN 0.894 nan 8.190 nan 0.000 0.426 162 M N 5.886 124.993 119.600 -0.821 0.000 2.338 162 M HA 0.109 4.590 4.480 0.001 0.000 0.360 162 M C 1.011 177.069 176.300 -0.404 0.000 1.547 162 M CA 1.329 56.185 55.300 -0.740 0.000 1.001 162 M CB -0.505 31.394 32.600 -1.169 0.000 2.008 162 M HN 1.216 nan 8.290 nan 0.000 0.464 163 T N 2.508 116.897 114.554 -0.275 0.000 3.549 163 T HA -0.263 4.087 4.350 0.001 0.000 0.398 163 T C 0.114 174.836 174.700 0.038 0.000 0.766 163 T CA 1.000 62.886 62.100 -0.357 0.000 2.007 163 T CB -1.646 66.999 68.868 -0.372 0.000 1.727 163 T HN 1.015 nan 8.240 nan 0.000 0.693 164 R N 1.543 122.131 120.500 0.147 0.000 2.526 164 R HA 0.116 4.457 4.340 0.001 0.000 0.319 164 R C -2.028 174.425 176.300 0.255 0.000 0.888 164 R CA -0.794 55.410 56.100 0.173 0.000 1.127 164 R CB 0.172 30.573 30.300 0.169 0.000 0.888 164 R HN 0.370 nan 8.270 nan 0.000 0.410 165 P HA 0.065 nan 4.420 nan 0.000 0.269 165 P C -2.401 174.967 177.300 0.112 0.000 1.209 165 P CA -1.004 62.160 63.100 0.106 0.000 0.776 165 P CB 0.387 32.080 31.700 -0.011 0.000 0.876 166 P HA 0.016 nan 4.420 nan 0.000 0.273 166 P C -0.374 176.983 177.300 0.094 0.000 1.250 166 P CA -0.040 63.124 63.100 0.107 0.000 0.793 166 P CB 0.199 31.958 31.700 0.099 0.000 1.011 167 H N -0.408 118.680 119.070 0.031 0.000 3.070 167 H HA 0.373 4.929 4.556 0.001 0.000 0.313 167 H C 0.758 176.093 175.328 0.012 0.000 0.997 167 H CA 2.215 58.273 56.048 0.018 0.000 1.438 167 H CB -0.571 29.198 29.762 0.011 0.000 1.455 167 H HN 0.770 nan 8.280 nan 0.000 0.575 168 G N 3.941 112.425 108.800 -0.527 0.000 2.404 168 G HA2 -0.057 3.903 3.960 0.001 0.000 0.253 168 G HA3 -0.057 3.903 3.960 0.001 0.000 0.253 168 G C -2.089 172.657 174.900 -0.258 0.000 1.253 168 G CA -0.335 44.540 45.100 -0.376 0.000 0.917 168 G HN 0.453 nan 8.290 nan 0.000 0.480 169 P HA 0.059 nan 4.420 nan 0.000 0.225 169 P C 1.450 178.698 177.300 -0.087 0.000 1.148 169 P CA 0.942 63.977 63.100 -0.108 0.000 0.779 169 P CB 0.163 31.811 31.700 -0.086 0.000 0.780 170 L N -1.917 119.249 121.223 -0.094 0.000 2.640 170 L HA 0.256 4.597 4.340 0.001 0.000 0.230 170 L C 0.634 177.482 176.870 -0.036 0.000 1.123 170 L CA 0.109 54.908 54.840 -0.067 0.000 0.900 170 L CB -0.230 41.755 42.059 -0.122 0.000 1.146 170 L HN -0.042 nan 8.230 nan 0.000 0.484 171 N N 0.089 118.758 118.700 -0.052 0.000 2.793 171 N HA 0.158 4.899 4.740 0.001 0.000 0.251 171 N C -2.471 173.018 175.510 -0.034 0.000 1.308 171 N CA -1.061 51.984 53.050 -0.009 0.000 0.781 171 N CB 1.519 40.026 38.487 0.034 0.000 1.439 171 N HN -0.272 nan 8.380 nan 0.000 0.562 172 P HA 0.083 nan 4.420 nan 0.000 0.255 172 P C 0.488 177.866 177.300 0.129 0.000 1.248 172 P CA 0.278 63.385 63.100 0.010 0.000 0.807 172 P CB -0.043 31.657 31.700 -0.001 0.000 1.150 173 T N -2.316 112.316 114.554 0.130 0.000 2.726 173 T HA 0.173 4.524 4.350 0.001 0.000 0.294 173 T C 1.225 176.005 174.700 0.134 0.000 1.013 173 T CA -0.347 61.821 62.100 0.113 0.000 0.996 173 T CB 0.788 69.703 68.868 0.078 0.000 1.016 173 T HN -0.196 nan 8.240 nan 0.000 0.529 174 K N 0.571 121.001 120.400 0.050 0.000 2.486 174 K HA 0.093 4.414 4.320 0.001 0.000 0.194 174 K C 1.164 177.747 176.600 -0.028 0.000 1.033 174 K CA 0.480 56.752 56.287 -0.024 0.000 1.004 174 K CB -0.345 32.137 32.500 -0.029 0.000 0.798 174 K HN 0.920 nan 8.250 nan 0.000 0.495 175 T N -0.594 113.978 114.554 0.030 0.000 2.916 175 T HA 0.543 4.893 4.350 0.001 0.000 0.292 175 T C -0.776 173.971 174.700 0.079 0.000 1.055 175 T CA -0.906 61.219 62.100 0.041 0.000 1.009 175 T CB 2.646 71.544 68.868 0.050 0.000 1.118 175 T HN 0.049 nan 8.240 nan 0.000 0.497 176 D N -0.558 119.892 120.400 0.083 0.000 2.851 176 D HA 0.258 4.898 4.640 0.001 0.000 0.339 176 D C 0.488 176.848 176.300 0.100 0.000 1.347 176 D CA -0.684 53.378 54.000 0.103 0.000 0.888 176 D CB 0.109 40.978 40.800 0.116 0.000 1.431 176 D HN 0.371 nan 8.370 nan 0.000 0.509 177 E N -0.553 119.707 120.200 0.100 0.000 2.347 177 E HA -0.030 4.321 4.350 0.001 0.000 0.196 177 E C 1.343 177.976 176.600 0.054 0.000 1.008 177 E CA 1.101 57.545 56.400 0.074 0.000 0.852 177 E CB -0.283 29.435 29.700 0.029 0.000 0.783 177 E HN 0.552 nan 8.360 nan 0.000 0.505 178 T N 0.605 115.197 114.554 0.064 0.000 2.809 178 T HA -0.104 4.246 4.350 0.001 0.000 0.260 178 T C 2.141 176.928 174.700 0.146 0.000 1.039 178 T CA 1.928 64.082 62.100 0.090 0.000 1.141 178 T CB -0.330 68.587 68.868 0.083 0.000 0.869 178 T HN 0.388 nan 8.240 nan 0.000 0.437 179 T N 0.564 115.185 114.554 0.112 0.000 2.867 179 T HA -0.099 4.251 4.350 0.001 0.000 0.268 179 T C 1.535 176.344 174.700 0.182 0.000 1.057 179 T CA 1.111 63.285 62.100 0.123 0.000 1.136 179 T CB -0.432 68.451 68.868 0.025 0.000 0.874 179 T HN 0.107 nan 8.240 nan 0.000 0.466 180 D N 1.909 122.391 120.400 0.137 0.000 2.144 180 D HA 0.109 4.750 4.640 0.001 0.000 0.200 180 D C 2.405 178.784 176.300 0.132 0.000 0.978 180 D CA 1.346 55.421 54.000 0.125 0.000 0.833 180 D CB -0.552 40.310 40.800 0.105 0.000 0.961 180 D HN 0.570 nan 8.370 nan 0.000 0.470 181 A N -0.452 122.448 122.820 0.134 0.000 1.929 181 A HA -0.115 4.206 4.320 0.001 0.000 0.216 181 A C 2.157 179.820 177.584 0.131 0.000 1.176 181 A CA 0.888 52.985 52.037 0.101 0.000 0.628 181 A CB -1.104 17.942 19.000 0.077 0.000 0.816 181 A HN 0.361 nan 8.150 nan 0.000 0.444 182 W N 1.168 122.496 121.300 0.046 0.000 2.355 182 W HA -0.170 4.490 4.660 0.001 0.000 0.309 182 W C 1.473 178.031 176.519 0.066 0.000 1.206 182 W CA 1.840 59.239 57.345 0.089 0.000 1.284 182 W CB 0.098 29.624 29.460 0.110 0.000 1.145 182 W HN 0.367 nan 8.180 nan 0.000 0.502 183 D N -1.007 119.660 120.400 0.446 0.000 2.144 183 D HA -0.157 4.484 4.640 0.001 0.000 0.200 183 D C 2.114 178.511 176.300 0.161 0.000 0.978 183 D CA 2.036 56.238 54.000 0.337 0.000 0.833 183 D CB -0.870 40.082 40.800 0.253 0.000 0.961 183 D HN 0.119 nan 8.370 nan 0.000 0.470 184 T N 0.677 115.283 114.554 0.086 0.000 2.708 184 T HA -0.091 4.259 4.350 0.001 0.000 0.266 184 T C 2.265 176.957 174.700 -0.013 0.000 1.037 184 T CA 0.780 62.902 62.100 0.037 0.000 1.146 184 T CB -0.308 68.564 68.868 0.006 0.000 0.865 184 T HN -0.036 nan 8.240 nan 0.000 0.435 185 V N 1.626 121.437 119.914 -0.173 0.000 2.343 185 V HA -0.179 3.942 4.120 0.001 0.000 0.247 185 V C 2.345 178.090 176.094 -0.581 0.000 1.051 185 V CA 2.030 64.103 62.300 -0.378 0.000 1.036 185 V CB -0.641 30.881 31.823 -0.501 0.000 0.654 185 V HN 0.502 nan 8.190 nan 0.000 0.451 186 D N -1.492 118.476 120.400 -0.720 0.000 2.149 186 D HA -0.267 4.374 4.640 0.001 0.000 0.198 186 D C 1.871 178.118 176.300 -0.088 0.000 0.990 186 D CA 1.595 55.273 54.000 -0.537 0.000 0.839 186 D CB -0.170 40.531 40.800 -0.166 0.000 0.948 186 D HN 0.576 nan 8.370 nan 0.000 0.460 187 W N 0.387 121.615 121.300 -0.121 0.000 2.407 187 W HA 0.015 4.676 4.660 0.001 0.000 0.305 187 W C 1.893 178.371 176.519 -0.067 0.000 1.196 187 W CA 0.861 58.193 57.345 -0.022 0.000 1.311 187 W CB -0.275 29.181 29.460 -0.006 0.000 1.135 187 W HN -0.028 nan 8.180 nan 0.000 0.514 188 L N 0.519 121.855 121.223 0.188 0.000 2.042 188 L HA -0.241 4.099 4.340 0.001 0.000 0.210 188 L C 2.400 179.152 176.870 -0.196 0.000 1.076 188 L CA 1.683 56.546 54.840 0.039 0.000 0.749 188 L CB -1.311 40.774 42.059 0.044 0.000 0.893 188 L HN 0.078 nan 8.230 nan 0.000 0.432 189 V N -4.591 115.149 119.914 -0.289 0.000 3.380 189 V HA -0.152 3.969 4.120 0.001 0.000 0.268 189 V C 1.375 177.213 176.094 -0.427 0.000 1.168 189 V CA 1.314 63.394 62.300 -0.366 0.000 1.156 189 V CB -0.913 30.655 31.823 -0.424 0.000 0.785 189 V HN 0.507 nan 8.190 nan 0.000 0.487 190 H N -0.278 118.623 119.070 -0.282 0.000 2.986 190 H HA 0.370 4.927 4.556 0.001 0.000 0.267 190 H C 1.055 176.123 175.328 -0.432 0.000 1.072 190 H CA 0.513 56.383 56.048 -0.296 0.000 1.202 190 H CB 0.509 30.116 29.762 -0.258 0.000 1.535 190 H HN 0.480 nan 8.280 nan 0.000 0.522 191 N N -0.207 118.174 118.700 -0.531 0.000 2.170 191 N HA 0.123 4.863 4.740 0.001 0.000 0.222 191 N C -1.086 174.169 175.510 -0.424 0.000 1.218 191 N CA 0.089 52.721 53.050 -0.696 0.000 0.889 191 N CB 2.270 39.766 38.487 -1.652 0.000 1.083 191 N HN -0.105 nan 8.380 nan 0.000 0.520 192 V N 1.971 121.724 119.914 -0.269 0.000 2.289 192 V HA 0.286 4.406 4.120 0.001 0.000 0.272 192 V C -1.834 174.194 176.094 -0.111 0.000 1.026 192 V CA -1.242 60.976 62.300 -0.137 0.000 0.807 192 V CB 1.573 33.347 31.823 -0.081 0.000 1.044 192 V HN -0.042 nan 8.190 nan 0.000 0.443 193 P HA -0.067 nan 4.420 nan 0.000 0.222 193 P C 1.081 178.346 177.300 -0.059 0.000 1.147 193 P CA 0.832 63.890 63.100 -0.071 0.000 0.790 193 P CB 0.452 32.118 31.700 -0.056 0.000 0.780 194 E N -0.589 119.581 120.200 -0.050 0.000 2.482 194 E HA -0.005 4.346 4.350 0.001 0.000 0.196 194 E C 0.831 177.397 176.600 -0.058 0.000 1.047 194 E CA 0.152 56.527 56.400 -0.042 0.000 0.869 194 E CB -0.257 29.430 29.700 -0.022 0.000 0.836 194 E HN 0.285 nan 8.360 nan 0.000 0.520 195 S N 0.572 116.227 115.700 -0.074 0.000 2.687 195 S HA 0.196 4.666 4.470 0.001 0.000 0.283 195 S C 0.687 175.226 174.600 -0.103 0.000 1.170 195 S CA -0.747 57.396 58.200 -0.095 0.000 1.008 195 S CB 1.018 64.156 63.200 -0.103 0.000 1.026 195 S HN 0.138 nan 8.310 nan 0.000 0.541 196 N N -0.076 118.553 118.700 -0.118 0.000 2.230 196 N HA 0.215 4.955 4.740 0.001 0.000 0.202 196 N C 1.137 176.577 175.510 -0.118 0.000 1.119 196 N CA 0.348 53.331 53.050 -0.112 0.000 0.851 196 N CB -0.270 38.147 38.487 -0.117 0.000 0.990 196 N HN 1.377 nan 8.380 nan 0.000 0.497 197 G N 0.470 109.190 108.800 -0.134 0.000 2.148 197 G HA2 -0.316 3.645 3.960 0.001 0.000 0.254 197 G HA3 -0.316 3.645 3.960 0.001 0.000 0.254 197 G C -0.367 174.445 174.900 -0.147 0.000 0.981 197 G CA -0.015 44.993 45.100 -0.153 0.000 0.670 197 G HN 0.502 nan 8.290 nan 0.000 0.528 198 R N -0.202 120.213 120.500 -0.142 0.000 2.343 198 R HA 0.587 4.928 4.340 0.001 0.000 0.320 198 R C -0.506 175.705 176.300 -0.148 0.000 0.956 198 R CA -0.699 55.318 56.100 -0.139 0.000 0.836 198 R CB 2.357 32.577 30.300 -0.133 0.000 1.151 198 R HN 0.089 nan 8.270 nan 0.000 0.450 199 V N 1.686 121.511 119.914 -0.149 0.000 2.513 199 V HA 0.635 4.756 4.120 0.001 0.000 0.299 199 V C 0.454 176.452 176.094 -0.160 0.000 1.035 199 V CA -0.801 61.414 62.300 -0.141 0.000 0.889 199 V CB 1.988 33.722 31.823 -0.148 0.000 0.988 199 V HN 0.949 nan 8.190 nan 0.000 0.440 200 G N 3.563 112.286 108.800 -0.128 0.000 2.513 200 G HA2 0.695 4.656 3.960 0.001 0.000 0.317 200 G HA3 0.695 4.656 3.960 0.001 0.000 0.317 200 G C -1.016 173.885 174.900 0.003 0.000 1.277 200 G CA -0.654 44.335 45.100 -0.186 0.000 0.955 200 G HN 0.542 nan 8.290 nan 0.000 0.484 201 M N 1.638 121.260 119.600 0.037 0.000 2.364 201 M HA 0.577 5.057 4.480 0.001 0.000 0.334 201 M C -0.097 176.325 176.300 0.203 0.000 1.107 201 M CA -0.425 54.920 55.300 0.076 0.000 0.988 201 M CB 2.530 35.133 32.600 0.006 0.000 1.673 201 M HN 0.598 nan 8.290 nan 0.000 0.441 202 T N 1.501 116.114 114.554 0.099 0.000 2.762 202 T HA 0.916 5.267 4.350 0.001 0.000 0.301 202 T C -1.254 173.476 174.700 0.050 0.000 1.299 202 T CA -0.005 62.157 62.100 0.104 0.000 1.005 202 T CB 2.069 71.024 68.868 0.144 0.000 1.377 202 T HN 0.989 nan 8.240 nan 0.000 0.504 203 G N 0.786 109.630 108.800 0.074 0.000 2.329 203 G HA2 0.423 4.383 3.960 0.001 0.000 0.308 203 G HA3 0.423 4.383 3.960 0.001 0.000 0.308 203 G C -1.230 173.749 174.900 0.132 0.000 1.587 203 G CA 0.072 45.242 45.100 0.116 0.000 0.978 203 G HN 0.786 nan 8.290 nan 0.000 0.685 204 S N -0.248 115.553 115.700 0.169 0.000 2.621 204 S HA 0.870 5.341 4.470 0.001 0.000 0.302 204 S C 1.075 175.842 174.600 0.280 0.000 1.093 204 S CA 1.250 59.543 58.200 0.156 0.000 1.017 204 S CB 1.490 64.719 63.200 0.048 0.000 1.077 204 S HN 2.417 nan 8.310 nan 0.000 0.517 205 S N 1.600 117.490 115.700 0.317 0.000 4.139 205 S HA -0.312 4.159 4.470 0.001 0.000 0.603 205 S C 1.473 176.329 174.600 0.426 0.000 1.897 205 S CA 1.511 60.004 58.200 0.488 0.000 4.241 205 S CB -1.829 61.760 63.200 0.649 0.000 0.221 205 S HN 1.739 nan 8.310 nan 0.000 0.488 206 A N 0.671 123.764 122.820 0.455 0.000 2.066 206 A HA 0.084 4.405 4.320 0.001 0.000 0.218 206 A C 1.674 179.448 177.584 0.317 0.000 1.157 206 A CA 1.685 53.914 52.037 0.320 0.000 0.670 206 A CB -0.556 18.513 19.000 0.115 0.000 0.804 206 A HN 0.736 nan 8.150 nan 0.000 0.453 207 E N -0.609 119.775 120.200 0.305 0.000 2.358 207 E HA -0.016 4.335 4.350 0.001 0.000 0.195 207 E C 1.836 178.575 176.600 0.233 0.000 1.010 207 E CA 0.485 57.039 56.400 0.257 0.000 0.856 207 E CB -0.088 29.789 29.700 0.295 0.000 0.795 207 E HN 0.596 nan 8.360 nan 0.000 0.504 208 G N 0.768 109.732 108.800 0.272 0.000 2.539 208 G HA2 -0.177 3.783 3.960 0.001 0.000 0.215 208 G HA3 -0.177 3.783 3.960 0.001 0.000 0.215 208 G C 1.252 176.312 174.900 0.267 0.000 1.141 208 G CA -0.201 45.037 45.100 0.230 0.000 0.806 208 G HN 0.241 nan 8.290 nan 0.000 0.533 209 F N 3.185 123.250 119.950 0.192 0.000 2.186 209 F HA -0.108 4.420 4.527 0.001 0.000 0.299 209 F C 2.747 178.651 175.800 0.173 0.000 1.090 209 F CA 2.163 60.283 58.000 0.200 0.000 1.307 209 F CB -0.499 38.623 39.000 0.204 0.000 1.019 209 F HN 0.150 nan 8.300 nan 0.000 0.489 210 T N -2.118 112.420 114.554 -0.027 0.000 2.951 210 T HA -0.080 4.270 4.350 0.001 0.000 0.268 210 T C 1.944 176.592 174.700 -0.087 0.000 1.073 210 T CA 1.263 63.282 62.100 -0.136 0.000 1.134 210 T CB -1.140 67.759 68.868 0.052 0.000 0.884 210 T HN 0.170 nan 8.240 nan 0.000 0.479 211 V N 1.333 121.239 119.914 -0.014 0.000 2.323 211 V HA -0.095 4.025 4.120 0.001 0.000 0.244 211 V C 2.912 178.993 176.094 -0.021 0.000 1.041 211 V CA 1.166 63.458 62.300 -0.012 0.000 1.025 211 V CB -0.737 31.083 31.823 -0.005 0.000 0.656 211 V HN 0.369 nan 8.190 nan 0.000 0.451 212 V N -0.523 119.400 119.914 0.014 0.000 2.343 212 V HA -0.296 3.824 4.120 0.001 0.000 0.247 212 V C 2.577 178.690 176.094 0.031 0.000 1.051 212 V CA 1.883 64.247 62.300 0.108 0.000 1.036 212 V CB -0.656 31.321 31.823 0.257 0.000 0.654 212 V HN 0.391 nan 8.190 nan 0.000 0.451 213 M N 0.017 119.537 119.600 -0.133 0.000 2.108 213 M HA -0.153 4.328 4.480 0.001 0.000 0.261 213 M C 2.362 178.646 176.300 -0.026 0.000 1.066 213 M CA 2.299 57.509 55.300 -0.150 0.000 1.107 213 M CB -1.490 30.890 32.600 -0.367 0.000 1.356 213 M HN 0.421 nan 8.290 nan 0.000 0.406 214 A N -0.429 122.382 122.820 -0.015 0.000 2.015 214 A HA -0.069 4.251 4.320 0.001 0.000 0.219 214 A C 2.215 179.838 177.584 0.065 0.000 1.163 214 A CA 0.958 53.019 52.037 0.040 0.000 0.646 214 A CB -0.813 18.201 19.000 0.024 0.000 0.806 214 A HN 0.483 nan 8.150 nan 0.000 0.448 215 L N -0.302 120.956 121.223 0.058 0.000 2.465 215 L HA -0.068 4.272 4.340 0.001 0.000 0.224 215 L C 2.121 179.056 176.870 0.107 0.000 1.145 215 L CA 0.201 55.091 54.840 0.083 0.000 0.834 215 L CB -0.317 41.804 42.059 0.102 0.000 0.944 215 L HN 0.400 nan 8.230 nan 0.000 0.451 216 L N -0.820 120.465 121.223 0.103 0.000 2.056 216 L HA -0.091 4.250 4.340 0.001 0.000 0.207 216 L C 0.474 177.406 176.870 0.103 0.000 1.078 216 L CA 1.030 55.932 54.840 0.104 0.000 0.749 216 L CB -0.076 42.039 42.059 0.093 0.000 0.901 216 L HN 0.223 nan 8.230 nan 0.000 0.433 217 D N -0.640 119.833 120.400 0.120 0.000 2.584 217 D HA 0.191 4.832 4.640 0.001 0.000 0.238 217 D C -2.600 173.848 176.300 0.246 0.000 1.302 217 D CA -1.297 52.792 54.000 0.147 0.000 0.884 217 D CB 1.251 42.115 40.800 0.107 0.000 1.456 217 D HN -0.118 nan 8.370 nan 0.000 0.528 218 P HA 0.178 nan 4.420 nan 0.000 0.279 218 P C -0.141 177.265 177.300 0.176 0.000 1.252 218 P CA -0.367 62.840 63.100 0.179 0.000 0.811 218 P CB 0.942 32.683 31.700 0.068 0.000 1.035 219 H N 2.510 121.473 119.070 -0.179 0.000 2.652 219 H HA 0.108 4.665 4.556 0.001 0.000 0.349 219 H C -1.477 173.690 175.328 -0.269 0.000 1.099 219 H CA -1.340 54.369 56.048 -0.565 0.000 1.417 219 H CB 0.799 29.976 29.762 -0.975 0.000 1.457 219 H HN 0.164 nan 8.280 nan 0.000 0.568 220 P HA -0.139 nan 4.420 nan 0.000 0.218 220 P C 0.802 178.039 177.300 -0.106 0.000 1.146 220 P CA 1.796 64.758 63.100 -0.231 0.000 0.820 220 P CB 0.062 31.592 31.700 -0.284 0.000 0.778 221 A N -1.388 121.464 122.820 0.054 0.000 2.208 221 A HA 0.013 4.333 4.320 0.001 0.000 0.209 221 A C 1.013 178.554 177.584 -0.073 0.000 1.161 221 A CA 0.122 52.163 52.037 0.005 0.000 0.782 221 A CB -0.936 18.059 19.000 -0.008 0.000 0.816 221 A HN 0.157 nan 8.150 nan 0.000 0.477 222 L N 0.772 121.953 121.223 -0.071 0.000 2.356 222 L HA 0.253 4.594 4.340 0.001 0.000 0.282 222 L C 0.809 177.591 176.870 -0.147 0.000 1.132 222 L CA -0.023 54.747 54.840 -0.116 0.000 0.923 222 L CB 0.124 42.129 42.059 -0.090 0.000 1.278 222 L HN 0.039 nan 8.230 nan 0.000 0.436 223 K N 3.124 123.414 120.400 -0.185 0.000 2.305 223 K HA 0.200 4.520 4.320 0.001 0.000 0.199 223 K C 0.129 176.501 176.600 -0.380 0.000 1.047 223 K CA 0.453 56.605 56.287 -0.225 0.000 0.976 223 K CB 0.321 32.729 32.500 -0.153 0.000 0.765 223 K HN 0.400 nan 8.250 nan 0.000 0.474 224 V N -0.572 119.087 119.914 -0.424 0.000 3.120 224 V HA 0.651 4.772 4.120 0.001 0.000 0.303 224 V C -1.967 173.885 176.094 -0.403 0.000 1.238 224 V CA -0.808 61.164 62.300 -0.547 0.000 1.008 224 V CB 2.235 33.556 31.823 -0.836 0.000 1.064 224 V HN 0.188 nan 8.190 nan 0.000 0.434 225 A N 3.770 126.501 122.820 -0.149 0.000 2.498 225 A HA 1.037 5.357 4.320 0.001 0.000 0.298 225 A C -0.552 177.180 177.584 0.248 0.000 1.075 225 A CA -0.159 51.907 52.037 0.049 0.000 0.714 225 A CB 2.133 21.097 19.000 -0.060 0.000 1.299 225 A HN 2.242 nan 8.150 nan 0.000 0.407 226 A N 2.175 125.149 122.820 0.257 0.000 3.007 226 A HA 0.691 5.012 4.320 0.001 0.000 0.314 226 A C -3.181 174.364 177.584 -0.065 0.000 1.153 226 A CA -1.187 50.915 52.037 0.109 0.000 0.780 226 A CB 0.491 19.642 19.000 0.253 0.000 1.258 226 A HN 0.412 nan 8.150 nan 0.000 0.460 227 P HA 0.367 nan 4.420 nan 0.000 0.276 227 P C -0.543 176.753 177.300 -0.007 0.000 1.243 227 P CA 0.356 63.388 63.100 -0.114 0.000 0.768 227 P CB 0.815 32.367 31.700 -0.247 0.000 0.856 228 E N 1.410 121.641 120.200 0.051 0.000 2.145 228 E HA 0.279 4.629 4.350 0.001 0.000 0.270 228 E C -0.183 176.503 176.600 0.143 0.000 0.906 228 E CA -0.688 55.742 56.400 0.050 0.000 0.761 228 E CB 0.637 30.324 29.700 -0.022 0.000 1.116 228 E HN 0.274 nan 8.360 nan 0.000 0.408 229 S N 2.280 118.091 115.700 0.185 0.000 3.336 229 S HA -0.148 4.322 4.470 0.001 0.000 0.362 229 S C -2.183 172.611 174.600 0.323 0.000 0.941 229 S CA 0.089 58.447 58.200 0.263 0.000 1.297 229 S CB -1.682 61.688 63.200 0.283 0.000 0.915 229 S HN 0.456 nan 8.310 nan 0.000 0.527 230 P HA 0.348 nan 4.420 nan 0.000 0.279 230 P C -0.147 177.362 177.300 0.348 0.000 1.252 230 P CA -0.817 62.503 63.100 0.367 0.000 0.811 230 P CB 0.578 32.526 31.700 0.415 0.000 1.035 231 M N 2.169 121.980 119.600 0.352 0.000 2.193 231 M HA 0.094 4.575 4.480 0.001 0.000 0.342 231 M C 0.895 177.414 176.300 0.364 0.000 1.413 231 M CA -0.170 55.276 55.300 0.243 0.000 1.191 231 M CB 0.423 33.086 32.600 0.106 0.000 1.633 231 M HN 0.104 nan 8.290 nan 0.000 0.458 232 V N 0.539 120.641 119.914 0.312 0.000 2.743 232 V HA 0.106 4.227 4.120 0.001 0.000 0.237 232 V C 0.323 176.595 176.094 0.296 0.000 1.113 232 V CA 1.033 63.541 62.300 0.348 0.000 1.141 232 V CB 0.392 32.428 31.823 0.355 0.000 0.873 232 V HN 0.742 nan 8.190 nan 0.000 0.486 233 D N -0.238 120.283 120.400 0.201 0.000 2.346 233 D HA 0.300 4.940 4.640 0.001 0.000 0.255 233 D C 1.014 177.293 176.300 -0.036 0.000 1.276 233 D CA 0.373 54.431 54.000 0.098 0.000 0.941 233 D CB 1.415 42.157 40.800 -0.096 0.000 1.199 233 D HN 0.187 nan 8.370 nan 0.000 0.537 234 G N 1.575 110.437 108.800 0.105 0.000 2.498 234 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 234 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 234 G C 1.123 176.011 174.900 -0.020 0.000 1.119 234 G CA 0.278 45.346 45.100 -0.052 0.000 0.766 234 G HN 0.523 nan 8.290 nan 0.000 0.552 235 W N -0.076 121.054 121.300 -0.284 0.000 2.580 235 W HA 0.231 4.891 4.660 0.000 0.000 0.287 235 W C 2.490 178.616 176.519 -0.655 0.000 1.175 235 W CA 0.312 57.374 57.345 -0.472 0.000 1.409 235 W CB 0.163 29.223 29.460 -0.666 0.000 1.101 235 W HN -0.032 nan 8.180 nan 0.000 0.558 236 M N -0.251 118.974 119.600 -0.626 0.000 2.067 236 M HA 0.041 4.522 4.480 0.001 0.000 0.260 236 M C 1.560 176.904 176.300 -1.595 0.000 1.069 236 M CA 2.093 56.558 55.300 -1.393 0.000 1.117 236 M CB -1.488 29.843 32.600 -2.114 0.000 1.334 236 M HN 0.273 nan 8.290 nan 0.000 0.407 237 G N -1.405 106.644 108.800 -1.252 0.000 5.068 237 G HA2 0.108 4.069 3.960 0.001 0.000 0.218 237 G HA3 0.108 4.069 3.960 0.001 0.000 0.218 237 G C -0.144 174.503 174.900 -0.422 0.000 0.891 237 G CA -0.362 44.171 45.100 -0.944 0.000 0.776 237 G HN 0.203 nan 8.290 nan 0.000 0.284 238 D N 0.137 120.391 120.400 -0.244 0.000 2.976 238 D HA 0.153 4.793 4.640 0.001 0.000 0.239 238 D C 1.156 177.356 176.300 -0.167 0.000 1.198 238 D CA -0.238 53.700 54.000 -0.103 0.000 1.171 238 D CB 0.580 41.317 40.800 -0.106 0.000 1.012 238 D HN -0.103 nan 8.370 nan 0.000 0.318 239 D N -0.393 119.709 120.400 -0.497 0.000 2.103 239 D HA -0.065 4.575 4.640 0.001 0.000 0.199 239 D C 2.274 178.211 176.300 -0.605 0.000 0.978 239 D CA 0.919 54.455 54.000 -0.773 0.000 0.829 239 D CB 0.029 39.951 40.800 -1.464 0.000 0.981 239 D HN 0.392 nan 8.370 nan 0.000 0.464 240 W N -0.007 121.221 121.300 -0.119 0.000 2.480 240 W HA 0.089 4.749 4.660 0.001 0.000 0.299 240 W C 0.769 176.901 176.519 -0.645 0.000 1.187 240 W CA -0.432 56.731 57.345 -0.304 0.000 1.347 240 W CB -0.235 29.248 29.460 0.038 0.000 1.121 240 W HN -0.209 nan 8.180 nan 0.000 0.533 241 F N -1.402 118.491 119.950 -0.095 0.000 2.620 241 F HA 0.452 4.980 4.527 0.001 0.000 0.320 241 F C -0.238 175.422 175.800 -0.233 0.000 1.069 241 F CA -1.337 56.500 58.000 -0.272 0.000 0.953 241 F CB 1.289 39.805 39.000 -0.807 0.000 1.322 241 F HN -0.270 nan 8.300 nan 0.000 0.479 242 H N 1.353 120.305 119.070 -0.195 0.000 3.092 242 H HA 0.188 4.744 4.556 0.001 0.000 0.308 242 H C -1.192 173.914 175.328 -0.369 0.000 1.047 242 H CA -0.744 55.142 56.048 -0.270 0.000 1.466 242 H CB 0.743 30.537 29.762 0.055 0.000 1.597 242 H HN 0.680 nan 8.280 nan 0.000 0.512 243 Y N 1.669 121.618 120.300 -0.585 0.000 3.491 243 Y HA -0.302 4.248 4.550 0.001 0.000 0.215 243 Y C 1.546 176.945 175.900 -0.835 0.000 1.219 243 Y CA 1.593 59.287 58.100 -0.677 0.000 1.485 243 Y CB -1.734 36.489 38.460 -0.395 0.000 1.450 243 Y HN 1.097 nan 8.280 nan 0.000 0.603 244 G N -2.065 105.951 108.800 -1.306 0.000 2.225 244 G HA2 -0.052 3.908 3.960 0.001 0.000 0.254 244 G HA3 -0.052 3.908 3.960 0.001 0.000 0.254 244 G C 0.403 175.232 174.900 -0.118 0.000 0.988 244 G CA -0.072 44.392 45.100 -1.061 0.000 0.625 244 G HN 1.597 nan 8.290 nan 0.000 0.527 245 A N 0.495 123.303 122.820 -0.019 0.000 2.347 245 A HA 0.627 4.947 4.320 0.001 0.000 0.287 245 A C -0.010 177.779 177.584 0.343 0.000 1.199 245 A CA -0.273 51.870 52.037 0.176 0.000 0.851 245 A CB 0.093 19.094 19.000 0.003 0.000 1.118 245 A HN 1.303 nan 8.150 nan 0.000 0.525 246 F N 2.961 123.002 119.950 0.152 0.000 2.538 246 F HA 0.314 4.841 4.527 0.001 0.000 0.371 246 F C 0.803 176.455 175.800 -0.247 0.000 1.087 246 F CA -0.012 57.868 58.000 -0.201 0.000 1.250 246 F CB 0.591 39.518 39.000 -0.122 0.000 1.110 246 F HN 0.568 nan 8.300 nan 0.000 0.570 247 R N 5.983 125.650 120.500 -1.389 0.000 2.235 247 R HA 0.117 4.458 4.340 0.001 0.000 0.338 247 R C 0.967 176.146 176.300 -1.868 0.000 1.087 247 R CA -0.215 55.039 56.100 -1.410 0.000 0.948 247 R CB 0.553 30.220 30.300 -1.054 0.000 1.099 247 R HN 0.778 nan 8.270 nan 0.000 0.483 248 Q N 1.052 119.962 119.800 -1.484 0.000 2.515 248 Q HA -0.118 4.222 4.340 0.001 0.000 0.215 248 Q C 1.573 176.640 176.000 -1.556 0.000 0.983 248 Q CA 1.179 56.183 55.803 -1.332 0.000 0.905 248 Q CB 0.191 28.257 28.738 -1.120 0.000 0.961 248 Q HN 0.815 nan 8.270 nan 0.000 0.503 249 G N 0.146 107.863 108.800 -1.804 0.000 2.813 249 G HA2 0.068 4.028 3.960 0.001 0.000 0.209 249 G HA3 0.068 4.028 3.960 0.001 0.000 0.209 249 G C 1.315 175.529 174.900 -1.143 0.000 1.150 249 G CA 0.471 44.342 45.100 -2.048 0.000 0.785 249 G HN 0.366 nan 8.290 nan 0.000 0.535 250 A N 0.637 122.815 122.820 -1.070 0.000 2.015 250 A HA 0.177 4.497 4.320 0.001 0.000 0.219 250 A C 1.939 178.866 177.584 -1.096 0.000 1.163 250 A CA 0.773 52.272 52.037 -0.897 0.000 0.646 250 A CB -0.418 18.091 19.000 -0.819 0.000 0.806 250 A HN 0.234 nan 8.150 nan 0.000 0.448 251 F N 0.911 120.441 119.950 -0.700 0.000 2.095 251 F HA -0.170 4.357 4.527 0.001 0.000 0.298 251 F C 2.137 177.777 175.800 -0.267 0.000 1.104 251 F CA 1.263 59.004 58.000 -0.431 0.000 1.232 251 F CB -0.791 38.142 39.000 -0.112 0.000 0.987 251 F HN 0.245 nan 8.300 nan 0.000 0.475 252 D N -1.353 119.011 120.400 -0.061 0.000 2.144 252 D HA -0.228 4.412 4.640 0.001 0.000 0.199 252 D C 2.149 178.457 176.300 0.014 0.000 0.984 252 D CA 1.155 55.141 54.000 -0.023 0.000 0.834 252 D CB -0.580 40.177 40.800 -0.071 0.000 0.955 252 D HN 0.308 nan 8.370 nan 0.000 0.465 253 Y N 0.725 120.937 120.300 -0.147 0.000 2.200 253 Y HA -0.231 4.320 4.550 0.001 0.000 0.290 253 Y C 2.053 178.072 175.900 0.198 0.000 1.137 253 Y CA 1.247 59.357 58.100 0.016 0.000 1.163 253 Y CB -0.313 38.164 38.460 0.028 0.000 0.988 253 Y HN -0.179 nan 8.280 nan 0.000 0.518 254 F N -0.710 119.317 119.950 0.128 0.000 2.069 254 F HA -0.227 4.300 4.527 0.001 0.000 0.298 254 F C 2.514 178.258 175.800 -0.093 0.000 1.113 254 F CA 1.357 59.377 58.000 0.033 0.000 1.214 254 F CB -1.479 37.548 39.000 0.044 0.000 0.978 254 F HN -0.108 nan 8.300 nan 0.000 0.474 255 V N -0.483 119.445 119.914 0.023 0.000 2.427 255 V HA -0.224 3.897 4.120 0.001 0.000 0.248 255 V C 2.503 178.625 176.094 0.047 0.000 1.051 255 V CA 1.808 64.068 62.300 -0.067 0.000 1.048 255 V CB -1.017 30.732 31.823 -0.124 0.000 0.666 255 V HN 0.470 nan 8.190 nan 0.000 0.456 256 S N -0.973 114.735 115.700 0.013 0.000 2.428 256 S HA -0.163 4.307 4.470 0.001 0.000 0.230 256 S C 1.861 176.447 174.600 -0.024 0.000 1.014 256 S CA 1.139 59.340 58.200 0.001 0.000 0.957 256 S CB -0.098 63.101 63.200 -0.002 0.000 0.784 256 S HN 0.628 nan 8.310 nan 0.000 0.499 257 Q N -0.612 119.149 119.800 -0.066 0.000 2.378 257 Q HA 0.339 4.679 4.340 0.001 0.000 0.216 257 Q C 0.962 176.988 176.000 0.044 0.000 0.892 257 Q CA 0.401 56.161 55.803 -0.072 0.000 0.931 257 Q CB 0.373 28.977 28.738 -0.224 0.000 1.086 257 Q HN 0.614 nan 8.270 nan 0.000 0.528 258 M N -0.836 118.867 119.600 0.172 0.000 2.416 258 M HA 0.137 4.618 4.480 0.001 0.000 0.337 258 M C 1.003 177.477 176.300 0.290 0.000 1.074 258 M CA 0.093 55.560 55.300 0.279 0.000 0.968 258 M CB 0.867 33.694 32.600 0.378 0.000 1.472 258 M HN -0.138 nan 8.290 nan 0.000 0.539 259 T N 0.958 115.652 114.554 0.234 0.000 2.942 259 T HA 0.251 4.602 4.350 0.001 0.000 0.265 259 T C 0.742 175.454 174.700 0.020 0.000 1.062 259 T CA 0.977 63.181 62.100 0.173 0.000 1.139 259 T CB 0.211 69.179 68.868 0.166 0.000 0.883 259 T HN 0.485 nan 8.240 nan 0.000 0.468 260 A N -0.190 122.616 122.820 -0.024 0.000 2.588 260 A HA 0.700 5.020 4.320 0.001 0.000 0.290 260 A C 0.784 178.273 177.584 -0.158 0.000 1.136 260 A CA -0.671 51.316 52.037 -0.084 0.000 0.681 260 A CB 0.806 19.750 19.000 -0.093 0.000 1.282 260 A HN 0.039 nan 8.150 nan 0.000 0.421 261 R N -0.366 120.028 120.500 -0.176 0.000 2.075 261 R HA -0.020 4.320 4.340 0.001 0.000 0.232 261 R C 1.235 177.238 176.300 -0.495 0.000 1.126 261 R CA 1.977 57.932 56.100 -0.243 0.000 0.963 261 R CB -0.344 29.863 30.300 -0.155 0.000 0.858 261 R HN 0.861 nan 8.270 nan 0.000 0.435 262 G N -0.967 107.533 108.800 -0.500 0.000 2.829 262 G HA2 0.362 4.323 3.960 0.001 0.000 0.173 262 G HA3 0.362 4.323 3.960 0.001 0.000 0.173 262 G C -0.410 174.039 174.900 -0.751 0.000 1.476 262 G CA -0.216 44.377 45.100 -0.846 0.000 1.072 262 G HN 0.379 nan 8.290 nan 0.000 0.577 263 G N -1.370 107.243 108.800 -0.311 0.000 2.544 263 G HA2 0.520 4.480 3.960 0.001 0.000 0.242 263 G HA3 0.520 4.480 3.960 0.001 0.000 0.242 263 G C 0.062 174.931 174.900 -0.053 0.000 1.247 263 G CA 0.560 45.633 45.100 -0.044 0.000 0.840 263 G HN 0.902 nan 8.290 nan 0.000 0.578 264 G N 0.102 108.898 108.800 -0.007 0.000 2.730 264 G HA2 0.545 4.506 3.960 0.001 0.000 0.289 264 G HA3 0.545 4.506 3.960 0.001 0.000 0.289 264 G C -0.748 174.167 174.900 0.024 0.000 1.341 264 G CA -0.786 44.319 45.100 0.007 0.000 0.932 264 G HN 0.573 nan 8.290 nan 0.000 0.481 265 N N -0.550 118.165 118.700 0.026 0.000 2.502 265 N HA 0.372 5.113 4.740 0.001 0.000 0.280 265 N C -0.923 174.599 175.510 0.020 0.000 1.223 265 N CA -0.433 52.630 53.050 0.022 0.000 0.966 265 N CB 1.893 40.389 38.487 0.015 0.000 1.203 265 N HN 0.410 nan 8.380 nan 0.000 0.565 266 D N 0.011 120.419 120.400 0.014 0.000 2.383 266 D HA 0.363 5.003 4.640 0.001 0.000 0.248 266 D C -0.076 176.227 176.300 0.004 0.000 1.170 266 D CA -0.175 53.833 54.000 0.013 0.000 0.977 266 D CB 0.878 41.687 40.800 0.015 0.000 1.120 266 D HN 0.277 nan 8.370 nan 0.000 0.481 267 I N 2.388 122.964 120.570 0.010 0.000 2.379 267 I HA 0.173 4.344 4.170 0.001 0.000 0.290 267 I C -1.873 174.236 176.117 -0.014 0.000 1.063 267 I CA -1.625 59.665 61.300 -0.017 0.000 1.351 267 I CB 0.874 38.873 38.000 -0.001 0.000 1.410 267 I HN 0.132 nan 8.210 nan 0.000 0.505 268 P HA 0.100 nan 4.420 nan 0.000 0.265 268 P C -0.701 176.572 177.300 -0.045 0.000 1.193 268 P CA -0.061 63.015 63.100 -0.039 0.000 0.765 268 P CB 0.447 32.115 31.700 -0.053 0.000 0.823 269 R N 2.465 122.953 120.500 -0.019 0.000 2.720 269 R HA 0.373 4.713 4.340 0.001 0.000 0.272 269 R C 1.053 177.341 176.300 -0.019 0.000 0.991 269 R CA -0.820 55.276 56.100 -0.007 0.000 1.010 269 R CB 1.253 31.568 30.300 0.026 0.000 1.141 269 R HN 0.365 nan 8.270 nan 0.000 0.494 270 R N 0.273 120.764 120.500 -0.015 0.000 2.074 270 R HA 0.087 4.427 4.340 0.001 0.000 0.218 270 R C 0.127 176.428 176.300 0.001 0.000 1.137 270 R CA 1.285 57.376 56.100 -0.015 0.000 0.998 270 R CB 0.128 30.416 30.300 -0.020 0.000 0.895 270 R HN 0.613 nan 8.270 nan 0.000 0.442 271 D N -1.397 119.012 120.400 0.016 0.000 2.272 271 D HA 0.288 4.929 4.640 0.001 0.000 0.247 271 D C 0.021 176.331 176.300 0.017 0.000 0.990 271 D CA 0.203 54.217 54.000 0.024 0.000 0.931 271 D CB 2.184 43.012 40.800 0.046 0.000 1.195 271 D HN 0.261 nan 8.370 nan 0.000 0.477 272 A N 1.906 124.732 122.820 0.009 0.000 2.014 272 A HA -0.059 4.261 4.320 0.001 0.000 0.218 272 A C 0.809 178.381 177.584 -0.020 0.000 1.163 272 A CA 0.859 52.890 52.037 -0.010 0.000 0.652 272 A CB 0.061 19.054 19.000 -0.012 0.000 0.808 272 A HN 0.500 nan 8.150 nan 0.000 0.449 273 D N -0.378 120.033 120.400 0.018 0.000 2.274 273 D HA 0.275 4.915 4.640 0.001 0.000 0.239 273 D C -0.165 176.187 176.300 0.087 0.000 1.104 273 D CA -0.418 53.609 54.000 0.044 0.000 0.840 273 D CB 0.905 41.761 40.800 0.092 0.000 1.100 273 D HN 0.013 nan 8.370 nan 0.000 0.477 274 D N 2.320 122.744 120.400 0.041 0.000 2.312 274 D HA -0.148 4.493 4.640 0.001 0.000 0.211 274 D C 1.291 177.737 176.300 0.243 0.000 0.964 274 D CA 0.507 54.582 54.000 0.125 0.000 0.877 274 D CB 0.002 40.778 40.800 -0.041 0.000 0.924 274 D HN 0.566 nan 8.370 nan 0.000 0.515 275 Y N 1.253 121.622 120.300 0.114 0.000 2.200 275 Y HA -0.200 4.351 4.550 0.001 0.000 0.290 275 Y C 2.210 178.305 175.900 0.325 0.000 1.137 275 Y CA 1.627 59.869 58.100 0.237 0.000 1.163 275 Y CB -0.234 38.360 38.460 0.223 0.000 0.988 275 Y HN -0.132 nan 8.280 nan 0.000 0.518 276 T N 0.665 115.462 114.554 0.405 0.000 2.770 276 T HA -0.148 4.203 4.350 0.001 0.000 0.263 276 T C 1.636 176.448 174.700 0.187 0.000 1.039 276 T CA 1.342 63.604 62.100 0.271 0.000 1.142 276 T CB -0.307 68.680 68.868 0.199 0.000 0.868 276 T HN 0.344 nan 8.240 nan 0.000 0.435 277 N N 0.996 119.798 118.700 0.170 0.000 2.043 277 N HA -0.043 4.698 4.740 0.001 0.000 0.193 277 N C 1.590 177.141 175.510 0.069 0.000 1.037 277 N CA 1.299 54.407 53.050 0.098 0.000 0.851 277 N CB -0.596 37.927 38.487 0.060 0.000 1.027 277 N HN 0.353 nan 8.380 nan 0.000 0.422 278 F N 0.494 120.495 119.950 0.085 0.000 2.259 278 F HA -0.020 4.508 4.527 0.001 0.000 0.298 278 F C 2.131 178.088 175.800 0.261 0.000 1.088 278 F CA 0.225 58.283 58.000 0.097 0.000 1.358 278 F CB -0.311 38.585 39.000 -0.174 0.000 1.040 278 F HN 0.001 nan 8.300 nan 0.000 0.505 279 L N 0.402 121.863 121.223 0.397 0.000 2.056 279 L HA -0.127 4.214 4.340 0.001 0.000 0.207 279 L C 2.138 179.018 176.870 0.016 0.000 1.078 279 L CA 1.825 56.714 54.840 0.082 0.000 0.749 279 L CB -0.704 41.287 42.059 -0.114 0.000 0.901 279 L HN -0.041 nan 8.230 nan 0.000 0.433 280 K N -0.948 119.489 120.400 0.062 0.000 2.097 280 K HA -0.035 4.286 4.320 0.001 0.000 0.205 280 K C 1.989 178.613 176.600 0.041 0.000 1.050 280 K CA 1.088 57.394 56.287 0.033 0.000 0.938 280 K CB -0.184 32.340 32.500 0.040 0.000 0.718 280 K HN 0.428 nan 8.250 nan 0.000 0.442 281 A N 0.547 123.418 122.820 0.086 0.000 2.015 281 A HA 0.037 4.357 4.320 0.001 0.000 0.219 281 A C 1.475 179.129 177.584 0.116 0.000 1.163 281 A CA 1.897 53.996 52.037 0.103 0.000 0.646 281 A CB -0.451 18.661 19.000 0.187 0.000 0.806 281 A HN 0.485 nan 8.150 nan 0.000 0.448 282 G N -1.109 107.752 108.800 0.103 0.000 3.692 282 G HA2 -0.193 3.767 3.960 0.001 0.000 0.265 282 G HA3 -0.193 3.767 3.960 0.001 0.000 0.265 282 G C 0.701 175.697 174.900 0.160 0.000 1.733 282 G CA 0.754 45.884 45.100 0.050 0.000 1.144 282 G HN 1.754 nan 8.290 nan 0.000 0.602 283 S N 1.108 116.991 115.700 0.304 0.000 2.713 283 S HA 0.796 5.266 4.470 0.001 0.000 0.283 283 S C 1.562 176.457 174.600 0.492 0.000 1.161 283 S CA 0.549 59.012 58.200 0.439 0.000 0.999 283 S CB 1.708 65.171 63.200 0.438 0.000 1.039 283 S HN 2.103 nan 8.310 nan 0.000 0.548 284 A N 1.089 124.269 122.820 0.600 0.000 1.898 284 A HA 0.184 4.505 4.320 0.001 0.000 0.216 284 A C 2.126 180.108 177.584 0.664 0.000 1.181 284 A CA 1.542 54.042 52.037 0.771 0.000 0.620 284 A CB -1.762 17.763 19.000 0.875 0.000 0.819 284 A HN 1.156 nan 8.150 nan 0.000 0.442 285 G N -1.236 107.958 108.800 0.657 0.000 2.443 285 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 285 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 285 G C 1.815 176.891 174.900 0.293 0.000 1.131 285 G CA 1.311 46.754 45.100 0.572 0.000 0.775 285 G HN 0.512 nan 8.290 nan 0.000 0.547 286 S N -0.653 115.211 115.700 0.274 0.000 2.406 286 S HA -0.014 4.457 4.470 0.001 0.000 0.228 286 S C 1.910 176.544 174.600 0.057 0.000 1.020 286 S CA 0.809 59.102 58.200 0.154 0.000 0.965 286 S CB -0.303 63.005 63.200 0.179 0.000 0.798 286 S HN 0.397 nan 8.310 nan 0.000 0.488 287 F N 2.148 122.055 119.950 -0.071 0.000 2.163 287 F HA 0.125 4.652 4.527 0.001 0.000 0.297 287 F C 2.233 177.753 175.800 -0.466 0.000 1.094 287 F CA 1.114 58.960 58.000 -0.256 0.000 1.290 287 F CB -0.683 38.170 39.000 -0.246 0.000 1.017 287 F HN 0.234 nan 8.300 nan 0.000 0.483 288 A N -0.325 122.185 122.820 -0.516 0.000 1.908 288 A HA -0.192 4.128 4.320 0.001 0.000 0.218 288 A C 2.173 179.477 177.584 -0.467 0.000 1.181 288 A CA 2.381 53.883 52.037 -0.891 0.000 0.627 288 A CB -1.455 16.814 19.000 -1.218 0.000 0.818 288 A HN 0.436 nan 8.150 nan 0.000 0.445 289 T N -0.257 114.159 114.554 -0.229 0.000 2.746 289 T HA -0.166 4.184 4.350 0.001 0.000 0.267 289 T C 2.053 176.634 174.700 -0.197 0.000 1.039 289 T CA 1.734 63.756 62.100 -0.131 0.000 1.142 289 T CB -0.239 68.603 68.868 -0.044 0.000 0.866 289 T HN 0.612 nan 8.240 nan 0.000 0.444 290 Q N 0.209 119.843 119.800 -0.278 0.000 2.224 290 Q HA 0.091 4.432 4.340 0.001 0.000 0.203 290 Q C 2.279 178.045 176.000 -0.390 0.000 0.970 290 Q CA 1.098 56.714 55.803 -0.312 0.000 0.865 290 Q CB -0.112 28.415 28.738 -0.352 0.000 0.922 290 Q HN 0.518 nan 8.270 nan 0.000 0.445 291 A N -0.440 122.064 122.820 -0.527 0.000 2.251 291 A HA 0.311 4.632 4.320 0.001 0.000 0.209 291 A C 1.312 178.736 177.584 -0.267 0.000 1.187 291 A CA 0.640 52.389 52.037 -0.480 0.000 0.823 291 A CB -0.138 18.463 19.000 -0.666 0.000 0.846 291 A HN 0.400 nan 8.150 nan 0.000 0.486 292 G N -0.970 107.711 108.800 -0.200 0.000 2.198 292 G HA2 -0.231 3.730 3.960 0.001 0.000 0.257 292 G HA3 -0.231 3.730 3.960 0.001 0.000 0.257 292 G C 0.524 175.450 174.900 0.045 0.000 1.042 292 G CA 0.452 45.515 45.100 -0.061 0.000 0.791 292 G HN 0.454 nan 8.290 nan 0.000 0.502 293 L N -0.382 120.796 121.223 -0.075 0.000 2.554 293 L HA 0.166 4.506 4.340 0.001 0.000 0.226 293 L C 1.988 179.040 176.870 0.303 0.000 1.137 293 L CA 0.527 55.364 54.840 -0.005 0.000 0.863 293 L CB 0.066 41.849 42.059 -0.460 0.000 0.985 293 L HN 0.092 nan 8.230 nan 0.000 0.451 294 D N 0.092 120.623 120.400 0.218 0.000 2.350 294 D HA -0.190 4.450 4.640 0.001 0.000 0.216 294 D C 1.941 178.330 176.300 0.149 0.000 0.968 294 D CA 0.798 54.925 54.000 0.213 0.000 0.894 294 D CB 0.143 40.983 40.800 0.068 0.000 0.909 294 D HN 0.558 nan 8.370 nan 0.000 0.520 295 Q N -0.669 119.232 119.800 0.169 0.000 2.319 295 Q HA -0.048 4.293 4.340 0.001 0.000 0.202 295 Q C -0.315 175.692 176.000 0.011 0.000 0.896 295 Q CA -0.066 55.766 55.803 0.048 0.000 0.942 295 Q CB -0.033 28.689 28.738 -0.026 0.000 1.083 295 Q HN 0.173 nan 8.270 nan 0.000 0.510 296 Y N 1.965 122.311 120.300 0.077 0.000 2.425 296 Y HA 0.258 4.809 4.550 0.001 0.000 0.347 296 Y C -1.601 174.340 175.900 0.069 0.000 0.976 296 Y CA -2.454 55.699 58.100 0.088 0.000 1.190 296 Y CB 1.384 39.925 38.460 0.135 0.000 1.136 296 Y HN 0.060 nan 8.280 nan 0.000 0.517 297 P HA -0.265 nan 4.420 nan 0.000 0.217 297 P C 1.629 178.959 177.300 0.051 0.000 1.151 297 P CA 1.467 64.596 63.100 0.048 0.000 0.849 297 P CB 0.039 31.756 31.700 0.029 0.000 0.787 298 F N -1.126 118.792 119.950 -0.052 0.000 2.186 298 F HA -0.106 4.422 4.527 0.001 0.000 0.299 298 F C 2.230 177.930 175.800 -0.166 0.000 1.090 298 F CA 1.070 58.977 58.000 -0.156 0.000 1.307 298 F CB -0.708 38.123 39.000 -0.282 0.000 1.019 298 F HN 0.002 nan 8.300 nan 0.000 0.489 299 W N 1.127 122.250 121.300 -0.294 0.000 2.388 299 W HA -0.191 4.469 4.660 0.001 0.000 0.294 299 W C 1.895 178.283 176.519 -0.220 0.000 1.212 299 W CA 1.293 58.481 57.345 -0.262 0.000 1.271 299 W CB -0.360 29.088 29.460 -0.019 0.000 1.126 299 W HN 0.126 nan 8.180 nan 0.000 0.535 300 Q N 0.253 119.834 119.800 -0.365 0.000 2.124 300 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 300 Q C 2.369 178.077 176.000 -0.487 0.000 0.977 300 Q CA 1.827 57.351 55.803 -0.465 0.000 0.850 300 Q CB -0.213 28.377 28.738 -0.247 0.000 0.901 300 Q HN 0.300 nan 8.270 nan 0.000 0.429 301 R N -0.004 120.208 120.500 -0.480 0.000 2.062 301 R HA -0.043 4.298 4.340 0.001 0.000 0.229 301 R C 2.278 178.190 176.300 -0.647 0.000 1.128 301 R CA 1.270 57.012 56.100 -0.597 0.000 0.960 301 R CB -0.329 29.584 30.300 -0.645 0.000 0.855 301 R HN 0.322 nan 8.270 nan 0.000 0.432 302 M N 0.389 119.634 119.600 -0.591 0.000 2.117 302 M HA -0.197 4.283 4.480 0.001 0.000 0.262 302 M C 2.395 178.552 176.300 -0.239 0.000 1.065 302 M CA 1.694 56.888 55.300 -0.176 0.000 1.114 302 M CB -0.309 32.280 32.600 -0.017 0.000 1.361 302 M HN 0.200 nan 8.290 nan 0.000 0.408 303 H N 0.123 118.637 119.070 -0.926 0.000 2.421 303 H HA -0.071 4.486 4.556 0.001 0.000 0.298 303 H C 1.590 176.655 175.328 -0.438 0.000 1.087 303 H CA 1.846 57.269 56.048 -1.042 0.000 1.330 303 H CB 0.093 28.973 29.762 -1.470 0.000 1.388 303 H HN 0.538 nan 8.280 nan 0.000 0.526 304 A N 0.318 122.896 122.820 -0.403 0.000 2.169 304 A HA -0.034 4.287 4.320 0.001 0.000 0.212 304 A C 0.371 177.606 177.584 -0.582 0.000 1.153 304 A CA 0.326 52.080 52.037 -0.472 0.000 0.756 304 A CB -0.060 18.594 19.000 -0.576 0.000 0.813 304 A HN 0.455 nan 8.150 nan 0.000 0.471 305 H N -0.501 118.500 119.070 -0.115 0.000 2.348 305 H HA 0.210 4.767 4.556 0.001 0.000 0.232 305 H C -2.181 173.402 175.328 0.426 0.000 1.419 305 H CA -1.489 54.606 56.048 0.078 0.000 1.416 305 H CB 0.789 30.482 29.762 -0.115 0.000 1.510 305 H HN 0.333 nan 8.280 nan 0.000 0.507 306 P HA 0.052 nan 4.420 nan 0.000 0.231 306 P C 0.680 178.241 177.300 0.435 0.000 1.168 306 P CA 0.407 63.774 63.100 0.446 0.000 0.779 306 P CB 0.798 32.677 31.700 0.298 0.000 0.844 307 A N -0.560 122.484 122.820 0.373 0.000 2.269 307 A HA 0.371 4.692 4.320 0.001 0.000 0.327 307 A C -0.700 176.666 177.584 -0.363 0.000 1.112 307 A CA -0.572 51.577 52.037 0.187 0.000 0.865 307 A CB -0.061 19.125 19.000 0.309 0.000 1.227 307 A HN -0.025 nan 8.150 nan 0.000 0.498 308 Y N 2.112 121.664 120.300 -1.246 0.000 2.889 308 Y HA 0.175 4.725 4.550 0.001 0.000 0.367 308 Y C 0.198 175.845 175.900 -0.422 0.000 1.197 308 Y CA -1.058 56.241 58.100 -1.335 0.000 1.993 308 Y CB -1.176 36.295 38.460 -1.647 0.000 2.112 308 Y HN 0.761 nan 8.280 nan 0.000 0.413 309 D N -0.400 119.865 120.400 -0.226 0.000 2.453 309 D HA 0.253 4.893 4.640 0.001 0.000 0.282 309 D C 1.595 177.742 176.300 -0.255 0.000 1.222 309 D CA 0.095 54.004 54.000 -0.153 0.000 1.079 309 D CB 0.019 40.830 40.800 0.018 0.000 1.128 309 D HN 0.150 nan 8.370 nan 0.000 0.568 310 A N -1.017 121.698 122.820 -0.176 0.000 2.032 310 A HA -0.146 4.175 4.320 0.001 0.000 0.221 310 A C 1.932 179.359 177.584 -0.261 0.000 1.165 310 A CA 1.358 53.279 52.037 -0.193 0.000 0.645 310 A CB -1.247 17.684 19.000 -0.115 0.000 0.807 310 A HN 0.546 nan 8.150 nan 0.000 0.453 311 F N -1.336 118.285 119.950 -0.549 0.000 2.186 311 F HA -0.100 4.428 4.527 0.001 0.000 0.299 311 F C 1.784 177.187 175.800 -0.661 0.000 1.090 311 F CA 1.529 59.066 58.000 -0.771 0.000 1.307 311 F CB -0.245 37.874 39.000 -1.469 0.000 1.019 311 F HN 0.402 nan 8.300 nan 0.000 0.489 312 W N 0.013 121.109 121.300 -0.340 0.000 2.630 312 W HA 0.075 4.735 4.660 0.001 0.000 0.271 312 W C 2.444 178.694 176.519 -0.448 0.000 1.244 312 W CA 0.282 57.431 57.345 -0.326 0.000 1.353 312 W CB -0.512 28.823 29.460 -0.208 0.000 1.080 312 W HN -0.097 nan 8.180 nan 0.000 0.594 313 Q N -0.054 119.449 119.800 -0.495 0.000 2.167 313 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 313 Q C 2.319 178.209 176.000 -0.183 0.000 0.970 313 Q CA 1.416 56.937 55.803 -0.470 0.000 0.855 313 Q CB -0.561 27.889 28.738 -0.481 0.000 0.911 313 Q HN 0.355 nan 8.270 nan 0.000 0.438 314 G N -0.269 108.412 108.800 -0.198 0.000 2.848 314 G HA2 -0.149 3.811 3.960 0.001 0.000 0.208 314 G HA3 -0.149 3.811 3.960 0.001 0.000 0.208 314 G C 0.924 175.770 174.900 -0.090 0.000 1.152 314 G CA 0.030 45.048 45.100 -0.137 0.000 0.789 314 G HN 0.253 nan 8.290 nan 0.000 0.531 315 Q N -0.600 119.164 119.800 -0.061 0.000 2.189 315 Q HA 0.336 4.676 4.340 0.001 0.000 0.223 315 Q C 0.895 177.008 176.000 0.189 0.000 0.828 315 Q CA -0.355 55.483 55.803 0.057 0.000 0.967 315 Q CB 1.124 29.874 28.738 0.021 0.000 1.139 315 Q HN 0.318 nan 8.270 nan 0.000 0.497 316 A N 1.435 124.357 122.820 0.170 0.000 2.545 316 A HA 0.117 4.438 4.320 0.001 0.000 0.297 316 A C 0.970 178.681 177.584 0.211 0.000 1.340 316 A CA 0.027 52.200 52.037 0.227 0.000 1.016 316 A CB -0.327 18.817 19.000 0.240 0.000 1.122 316 A HN 0.394 nan 8.150 nan 0.000 0.537 317 L N 1.185 122.557 121.223 0.249 0.000 2.265 317 L HA -0.161 4.179 4.340 0.001 0.000 0.215 317 L C 1.959 178.957 176.870 0.213 0.000 1.117 317 L CA 1.259 56.244 54.840 0.241 0.000 0.782 317 L CB -0.469 41.768 42.059 0.298 0.000 0.914 317 L HN 0.792 nan 8.230 nan 0.000 0.441 318 D N 0.212 120.739 120.400 0.213 0.000 2.123 318 D HA -0.194 4.447 4.640 0.001 0.000 0.200 318 D C 1.928 178.308 176.300 0.132 0.000 0.976 318 D CA 1.101 55.195 54.000 0.156 0.000 0.831 318 D CB -0.153 40.762 40.800 0.192 0.000 0.974 318 D HN 0.126 nan 8.370 nan 0.000 0.469 319 K N 0.246 120.739 120.400 0.154 0.000 2.103 319 K HA 0.138 4.459 4.320 0.001 0.000 0.204 319 K C 2.320 178.983 176.600 0.105 0.000 1.052 319 K CA 0.460 56.823 56.287 0.126 0.000 0.945 319 K CB -0.181 32.402 32.500 0.138 0.000 0.722 319 K HN 0.172 nan 8.250 nan 0.000 0.443 320 I N 0.181 120.820 120.570 0.115 0.000 2.202 320 I HA -0.237 3.933 4.170 0.001 0.000 0.242 320 I C 2.004 178.185 176.117 0.106 0.000 1.091 320 I CA 0.622 61.983 61.300 0.102 0.000 1.368 320 I CB -0.177 37.886 38.000 0.105 0.000 1.058 320 I HN 0.087 nan 8.210 nan 0.000 0.410 321 L N 1.192 122.493 121.223 0.130 0.000 2.046 321 L HA -0.139 4.202 4.340 0.001 0.000 0.208 321 L C 2.527 179.466 176.870 0.115 0.000 1.077 321 L CA 2.097 57.023 54.840 0.143 0.000 0.747 321 L CB -0.848 41.334 42.059 0.204 0.000 0.896 321 L HN 0.203 nan 8.230 nan 0.000 0.432 322 A N -1.422 121.452 122.820 0.090 0.000 1.972 322 A HA -0.250 4.070 4.320 0.001 0.000 0.219 322 A C 2.235 179.854 177.584 0.057 0.000 1.169 322 A CA 1.719 53.792 52.037 0.060 0.000 0.635 322 A CB -0.502 18.520 19.000 0.037 0.000 0.810 322 A HN 0.608 nan 8.150 nan 0.000 0.446 323 Q N -1.102 118.736 119.800 0.064 0.000 2.311 323 Q HA -0.004 4.337 4.340 0.001 0.000 0.203 323 Q C 2.115 178.149 176.000 0.057 0.000 0.954 323 Q CA 0.709 56.545 55.803 0.055 0.000 0.885 323 Q CB 0.099 28.870 28.738 0.055 0.000 0.963 323 Q HN 0.448 nan 8.270 nan 0.000 0.471 324 R N 0.463 121.004 120.500 0.068 0.000 2.161 324 R HA 0.072 4.413 4.340 0.001 0.000 0.213 324 R C -0.031 176.309 176.300 0.066 0.000 1.055 324 R CA 0.357 56.499 56.100 0.069 0.000 0.996 324 R CB 0.096 30.445 30.300 0.081 0.000 0.901 324 R HN 0.094 nan 8.270 nan 0.000 0.456 325 K N 1.392 121.834 120.400 0.070 0.000 4.868 325 K HA -0.099 4.221 4.320 0.001 0.000 0.324 325 K C -2.354 174.289 176.600 0.072 0.000 0.971 325 K CA 0.053 56.380 56.287 0.067 0.000 1.034 325 K CB -0.818 31.712 32.500 0.050 0.000 1.672 325 K HN 0.253 nan 8.250 nan 0.000 0.426 326 P HA 0.053 nan 4.420 nan 0.000 0.274 326 P C 0.495 177.838 177.300 0.070 0.000 1.237 326 P CA -0.037 63.114 63.100 0.085 0.000 0.793 326 P CB 0.804 32.571 31.700 0.112 0.000 0.977 327 T N -3.611 110.971 114.554 0.046 0.000 3.091 327 T HA 0.206 4.557 4.350 0.001 0.000 0.277 327 T C 0.400 175.094 174.700 -0.010 0.000 0.996 327 T CA -0.234 61.883 62.100 0.028 0.000 0.897 327 T CB -0.337 68.543 68.868 0.021 0.000 1.109 327 T HN 0.089 nan 8.240 nan 0.000 0.534 328 V N 3.879 123.783 119.914 -0.017 0.000 2.432 328 V HA 0.346 4.467 4.120 0.001 0.000 0.271 328 V C -2.311 173.734 176.094 -0.081 0.000 1.046 328 V CA -2.162 60.084 62.300 -0.090 0.000 0.945 328 V CB 1.001 32.777 31.823 -0.079 0.000 0.992 328 V HN 0.210 nan 8.190 nan 0.000 0.471 329 P HA 0.095 nan 4.420 nan 0.000 0.262 329 P C -0.483 176.879 177.300 0.103 0.000 1.182 329 P CA 0.629 63.679 63.100 -0.084 0.000 0.761 329 P CB 0.277 31.636 31.700 -0.569 0.000 0.795 330 M N 2.952 122.708 119.600 0.261 0.000 2.528 330 M HA 0.460 4.941 4.480 0.001 0.000 0.321 330 M C -0.358 176.039 176.300 0.162 0.000 1.153 330 M CA -0.557 54.836 55.300 0.155 0.000 0.951 330 M CB 2.125 34.764 32.600 0.065 0.000 1.705 330 M HN 0.140 nan 8.290 nan 0.000 0.451 331 L N 2.428 123.642 121.223 -0.016 0.000 2.454 331 L HA 0.408 4.749 4.340 0.001 0.000 0.258 331 L C -1.826 174.949 176.870 -0.158 0.000 1.025 331 L CA -0.255 54.548 54.840 -0.060 0.000 0.901 331 L CB 0.784 42.867 42.059 0.040 0.000 1.210 331 L HN 0.775 nan 8.230 nan 0.000 0.457 332 W N 3.484 124.798 121.300 0.023 0.000 2.218 332 W HA 0.393 5.054 4.660 0.001 0.000 0.326 332 W C 0.607 177.053 176.519 -0.122 0.000 1.276 332 W CA 0.093 57.439 57.345 0.002 0.000 1.210 332 W CB 0.799 30.297 29.460 0.064 0.000 1.143 332 W HN 0.313 nan 8.180 nan 0.000 0.563 333 E N 2.982 123.258 120.200 0.126 0.000 2.343 333 E HA 0.285 4.635 4.350 0.001 0.000 0.278 333 E C -1.398 175.239 176.600 0.063 0.000 0.910 333 E CA -0.699 55.689 56.400 -0.020 0.000 0.757 333 E CB 2.169 31.767 29.700 -0.169 0.000 1.218 333 E HN 0.673 nan 8.360 nan 0.000 0.435 334 Q N 1.441 121.265 119.800 0.041 0.000 2.527 334 Q HA 0.652 4.993 4.340 0.001 0.000 0.280 334 Q C -0.794 175.248 176.000 0.069 0.000 0.977 334 Q CA -1.079 54.779 55.803 0.092 0.000 0.837 334 Q CB 0.948 29.740 28.738 0.091 0.000 1.454 334 Q HN 0.467 nan 8.270 nan 0.000 0.387 335 G N 0.958 109.836 108.800 0.130 0.000 2.476 335 G HA2 0.372 4.333 3.960 0.001 0.000 0.269 335 G HA3 0.372 4.333 3.960 0.001 0.000 0.269 335 G C 0.235 175.060 174.900 -0.124 0.000 1.195 335 G CA -0.845 44.294 45.100 0.066 0.000 0.843 335 G HN 0.653 nan 8.290 nan 0.000 0.545 336 L N 0.104 121.120 121.223 -0.344 0.000 2.291 336 L HA 0.052 4.393 4.340 0.001 0.000 0.214 336 L C 0.943 177.484 176.870 -0.548 0.000 1.120 336 L CA 0.598 55.109 54.840 -0.548 0.000 0.799 336 L CB 0.054 41.574 42.059 -0.899 0.000 0.925 336 L HN 0.532 nan 8.230 nan 0.000 0.446 337 W N -0.090 121.126 121.300 -0.140 0.000 1.710 337 W HA 0.210 4.870 4.660 0.001 0.000 0.326 337 W C -0.081 176.365 176.519 -0.122 0.000 0.801 337 W CA -0.956 56.299 57.345 -0.150 0.000 2.715 337 W CB 0.106 29.466 29.460 -0.165 0.000 1.934 337 W HN -0.086 nan 8.180 nan 0.000 0.609 338 D N 2.427 122.882 120.400 0.092 0.000 2.383 338 D HA -0.042 4.598 4.640 0.001 0.000 0.245 338 D C 1.705 178.035 176.300 0.049 0.000 1.263 338 D CA 0.472 54.545 54.000 0.121 0.000 0.936 338 D CB 0.955 41.852 40.800 0.161 0.000 1.053 338 D HN 0.194 nan 8.370 nan 0.000 0.507 339 Q N 2.627 122.394 119.800 -0.055 0.000 2.515 339 Q HA -0.096 4.245 4.340 0.001 0.000 0.212 339 Q C 0.201 176.169 176.000 -0.052 0.000 0.970 339 Q CA 1.096 56.789 55.803 -0.183 0.000 0.941 339 Q CB 0.250 28.663 28.738 -0.541 0.000 0.998 339 Q HN 0.579 nan 8.270 nan 0.000 0.518 340 E N 0.072 120.236 120.200 -0.059 0.000 2.399 340 E HA 0.119 4.469 4.350 0.001 0.000 0.206 340 E C -0.217 176.297 176.600 -0.142 0.000 0.812 340 E CA 0.092 56.386 56.400 -0.176 0.000 1.138 340 E CB 0.723 30.061 29.700 -0.604 0.000 1.140 340 E HN 0.288 nan 8.360 nan 0.000 0.536 341 D N 0.810 121.200 120.400 -0.016 0.000 2.656 341 D HA 0.120 4.760 4.640 0.001 0.000 0.303 341 D C 0.347 176.757 176.300 0.183 0.000 1.199 341 D CA -0.018 54.043 54.000 0.101 0.000 0.797 341 D CB 1.152 42.044 40.800 0.154 0.000 1.170 341 D HN -0.003 nan 8.370 nan 0.000 0.509 342 M N 0.208 119.924 119.600 0.193 0.000 2.254 342 M HA -0.003 4.478 4.480 0.001 0.000 0.265 342 M C 1.660 178.086 176.300 0.211 0.000 1.066 342 M CA 1.319 56.730 55.300 0.185 0.000 1.123 342 M CB 0.067 32.793 32.600 0.211 0.000 1.388 342 M HN 0.404 nan 8.290 nan 0.000 0.425 343 W N 0.438 121.745 121.300 0.011 0.000 2.407 343 W HA 0.003 4.663 4.660 0.001 0.000 0.305 343 W C 1.750 178.366 176.519 0.163 0.000 1.196 343 W CA 1.721 59.086 57.345 0.033 0.000 1.311 343 W CB -1.030 28.294 29.460 -0.227 0.000 1.135 343 W HN 0.335 nan 8.180 nan 0.000 0.514 344 G N 1.494 110.514 108.800 0.367 0.000 3.017 344 G HA2 -0.456 3.505 3.960 0.001 0.000 0.232 344 G HA3 -0.456 3.505 3.960 0.001 0.000 0.232 344 G C 1.602 176.636 174.900 0.223 0.000 1.165 344 G CA 2.870 48.157 45.100 0.312 0.000 0.761 344 G HN 0.443 nan 8.290 nan 0.000 0.876 345 A N 0.257 123.217 122.820 0.234 0.000 1.849 345 A HA -0.100 4.220 4.320 0.001 0.000 0.217 345 A C 2.550 180.133 177.584 -0.001 0.000 1.202 345 A CA 2.339 54.500 52.037 0.208 0.000 0.629 345 A CB -0.715 18.452 19.000 0.279 0.000 0.834 345 A HN 0.852 nan 8.150 nan 0.000 0.447 346 I N -1.353 119.214 120.570 -0.005 0.000 2.194 346 I HA -0.348 3.822 4.170 0.001 0.000 0.246 346 I C 2.310 178.353 176.117 -0.124 0.000 1.093 346 I CA 2.402 63.675 61.300 -0.046 0.000 1.355 346 I CB -0.173 37.755 38.000 -0.120 0.000 1.046 346 I HN 0.531 nan 8.210 nan 0.000 0.413 347 H N 0.039 118.978 119.070 -0.218 0.000 2.428 347 H HA 0.073 4.629 4.556 0.001 0.000 0.296 347 H C 2.170 177.384 175.328 -0.190 0.000 1.062 347 H CA 1.285 57.171 56.048 -0.269 0.000 1.350 347 H CB -0.182 29.265 29.762 -0.525 0.000 1.403 347 H HN 0.461 nan 8.280 nan 0.000 0.533 348 A N 0.123 122.838 122.820 -0.174 0.000 1.897 348 A HA -0.156 4.164 4.320 0.001 0.000 0.215 348 A C 2.079 179.278 177.584 -0.642 0.000 1.181 348 A CA 1.216 52.993 52.037 -0.433 0.000 0.620 348 A CB -0.982 17.552 19.000 -0.776 0.000 0.821 348 A HN 0.670 nan 8.150 nan 0.000 0.443 349 W N 0.647 121.395 121.300 -0.920 0.000 2.381 349 W HA -0.165 4.496 4.660 0.001 0.000 0.301 349 W C 2.149 178.492 176.519 -0.292 0.000 1.205 349 W CA 1.950 58.867 57.345 -0.713 0.000 1.285 349 W CB -0.201 28.960 29.460 -0.498 0.000 1.133 349 W HN 0.379 nan 8.180 nan 0.000 0.521 350 Q N 0.981 120.607 119.800 -0.291 0.000 2.084 350 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 350 Q C 2.301 178.088 176.000 -0.355 0.000 0.978 350 Q CA 2.728 58.262 55.803 -0.448 0.000 0.844 350 Q CB -0.911 27.703 28.738 -0.207 0.000 0.898 350 Q HN 0.277 nan 8.270 nan 0.000 0.426 351 A N -0.035 122.654 122.820 -0.218 0.000 1.940 351 A HA -0.144 4.177 4.320 0.001 0.000 0.219 351 A C 2.069 179.569 177.584 -0.140 0.000 1.176 351 A CA 1.473 53.436 52.037 -0.124 0.000 0.631 351 A CB -0.712 18.264 19.000 -0.039 0.000 0.814 351 A HN 0.455 nan 8.150 nan 0.000 0.446 352 L N -1.075 120.032 121.223 -0.194 0.000 2.156 352 L HA -0.093 4.247 4.340 0.001 0.000 0.208 352 L C 2.559 179.317 176.870 -0.186 0.000 1.095 352 L CA 1.538 56.301 54.840 -0.128 0.000 0.770 352 L CB -0.258 41.771 42.059 -0.051 0.000 0.914 352 L HN 0.404 nan 8.230 nan 0.000 0.439 353 K N -0.048 120.130 120.400 -0.371 0.000 2.103 353 K HA -0.166 4.155 4.320 0.001 0.000 0.204 353 K C 1.523 177.984 176.600 -0.231 0.000 1.052 353 K CA 1.360 57.418 56.287 -0.381 0.000 0.945 353 K CB 0.117 32.187 32.500 -0.716 0.000 0.722 353 K HN 0.201 nan 8.250 nan 0.000 0.443 354 D N 0.323 120.595 120.400 -0.213 0.000 2.144 354 D HA -0.090 4.551 4.640 0.001 0.000 0.200 354 D C 1.355 177.609 176.300 -0.076 0.000 0.978 354 D CA 1.084 55.007 54.000 -0.128 0.000 0.833 354 D CB -0.001 40.735 40.800 -0.106 0.000 0.961 354 D HN 0.286 nan 8.370 nan 0.000 0.470 355 A N 0.339 123.119 122.820 -0.067 0.000 2.259 355 A HA -0.000 4.320 4.320 0.001 0.000 0.208 355 A C 0.213 177.785 177.584 -0.021 0.000 1.201 355 A CA 0.347 52.366 52.037 -0.029 0.000 0.824 355 A CB -0.169 18.824 19.000 -0.011 0.000 0.838 355 A HN 0.074 nan 8.150 nan 0.000 0.485 356 D N -1.203 119.174 120.400 -0.037 0.000 2.746 356 D HA -0.141 4.500 4.640 0.001 0.000 0.241 356 D C -0.131 176.171 176.300 0.003 0.000 1.140 356 D CA 0.839 54.828 54.000 -0.019 0.000 0.707 356 D CB -1.657 39.139 40.800 -0.007 0.000 1.034 356 D HN 0.347 nan 8.370 nan 0.000 0.423 357 V N 1.827 121.743 119.914 0.003 0.000 2.599 357 V HA -0.014 4.106 4.120 0.001 0.000 0.300 357 V C 0.988 177.114 176.094 0.053 0.000 1.034 357 V CA 0.405 62.727 62.300 0.037 0.000 1.115 357 V CB 0.817 32.673 31.823 0.056 0.000 0.934 357 V HN 0.162 nan 8.190 nan 0.000 0.485 358 K N 6.162 126.596 120.400 0.058 0.000 3.001 358 K HA 0.564 4.884 4.320 0.001 0.000 0.257 358 K C -0.206 176.439 176.600 0.075 0.000 1.290 358 K CA 0.320 56.644 56.287 0.062 0.000 1.252 358 K CB 0.362 32.892 32.500 0.050 0.000 1.656 358 K HN 0.771 nan 8.250 nan 0.000 0.351 359 A N 0.990 123.869 122.820 0.098 0.000 2.608 359 A HA 0.504 4.825 4.320 0.001 0.000 0.292 359 A C -2.935 174.751 177.584 0.170 0.000 1.066 359 A CA -1.286 50.819 52.037 0.113 0.000 0.676 359 A CB 1.002 20.054 19.000 0.087 0.000 1.277 359 A HN 0.018 nan 8.150 nan 0.000 0.413 360 P HA 0.208 nan 4.420 nan 0.000 0.261 360 P C -0.796 176.697 177.300 0.323 0.000 1.183 360 P CA 0.623 63.906 63.100 0.306 0.000 0.761 360 P CB 0.220 32.195 31.700 0.459 0.000 0.785 361 N N 1.960 120.862 118.700 0.336 0.000 2.690 361 N HA 0.212 4.953 4.740 0.001 0.000 0.255 361 N C -1.377 174.509 175.510 0.626 0.000 1.195 361 N CA -0.248 53.082 53.050 0.467 0.000 0.790 361 N CB 0.539 39.230 38.487 0.341 0.000 1.216 361 N HN 0.065 nan 8.380 nan 0.000 0.528 362 T N 2.129 116.937 114.554 0.424 0.000 2.824 362 T HA 0.465 4.816 4.350 0.001 0.000 0.280 362 T C -0.652 174.021 174.700 -0.044 0.000 0.995 362 T CA -0.419 61.794 62.100 0.189 0.000 1.009 362 T CB 1.171 70.005 68.868 -0.056 0.000 0.955 362 T HN 0.329 nan 8.240 nan 0.000 0.452 363 L N 4.439 125.336 121.223 -0.544 0.000 2.296 363 L HA 0.752 5.093 4.340 0.001 0.000 0.286 363 L C -1.201 175.342 176.870 -0.544 0.000 1.023 363 L CA -0.441 53.952 54.840 -0.746 0.000 0.812 363 L CB 1.203 42.274 42.059 -1.646 0.000 1.223 363 L HN 0.415 nan 8.230 nan 0.000 0.421 364 V N 6.696 126.378 119.914 -0.386 0.000 2.409 364 V HA 0.520 4.641 4.120 0.001 0.000 0.291 364 V C -0.163 175.722 176.094 -0.348 0.000 1.020 364 V CA -0.359 61.706 62.300 -0.393 0.000 0.848 364 V CB 1.571 33.121 31.823 -0.454 0.000 0.990 364 V HN 0.796 nan 8.190 nan 0.000 0.430 365 M N 4.252 123.630 119.600 -0.370 0.000 2.093 365 M HA 0.573 5.053 4.480 0.001 0.000 0.297 365 M C 0.363 176.306 176.300 -0.596 0.000 0.938 365 M CA -0.186 54.865 55.300 -0.415 0.000 0.920 365 M CB 1.979 34.320 32.600 -0.432 0.000 1.517 365 M HN 0.756 nan 8.290 nan 0.000 0.427 366 G N 2.412 110.511 108.800 -1.168 0.000 2.613 366 G HA2 0.704 4.664 3.960 0.001 0.000 0.303 366 G HA3 0.704 4.664 3.960 0.001 0.000 0.303 366 G C -2.732 171.136 174.900 -1.721 0.000 1.312 366 G CA -1.264 42.627 45.100 -2.015 0.000 1.036 366 G HN 0.412 nan 8.290 nan 0.000 0.513 367 P HA 0.208 nan 4.420 nan 0.000 0.212 367 P C -0.913 175.987 177.300 -0.666 0.000 1.816 367 P CA -0.182 62.196 63.100 -1.204 0.000 0.944 367 P CB -0.111 30.384 31.700 -2.008 0.000 1.896 368 W N 1.608 122.848 121.300 -0.100 0.000 2.850 368 W HA 0.469 5.130 4.660 0.001 0.000 0.349 368 W C 0.723 177.302 176.519 0.099 0.000 1.133 368 W CA -0.788 56.568 57.345 0.019 0.000 1.117 368 W CB 0.576 30.025 29.460 -0.018 0.000 1.442 368 W HN 0.006 nan 8.180 nan 0.000 0.575 369 R N -0.312 120.391 120.500 0.338 0.000 2.602 369 R HA 0.402 4.742 4.340 0.001 0.000 0.237 369 R C -0.182 176.254 176.300 0.226 0.000 1.219 369 R CA -0.833 55.391 56.100 0.206 0.000 1.121 369 R CB -0.164 30.196 30.300 0.101 0.000 1.408 369 R HN 0.346 nan 8.270 nan 0.000 0.559 370 H N -0.034 119.091 119.070 0.091 0.000 3.107 370 H HA 0.041 4.598 4.556 0.001 0.000 0.301 370 H C -0.278 175.142 175.328 0.153 0.000 0.981 370 H CA 1.474 57.594 56.048 0.119 0.000 1.443 370 H CB 0.123 29.948 29.762 0.105 0.000 1.479 370 H HN 0.719 nan 8.280 nan 0.000 0.564 371 S N 1.891 117.406 115.700 -0.309 0.000 3.127 371 S HA -0.235 4.235 4.470 0.001 0.000 0.281 371 S C 1.852 176.486 174.600 0.056 0.000 1.293 371 S CA 0.934 59.029 58.200 -0.176 0.000 1.156 371 S CB -1.674 61.424 63.200 -0.169 0.000 1.389 371 S HN 1.019 nan 8.310 nan 0.000 0.672 372 G N 0.374 109.223 108.800 0.080 0.000 2.501 372 G HA2 -0.084 3.876 3.960 0.001 0.000 0.220 372 G HA3 -0.084 3.876 3.960 0.001 0.000 0.220 372 G C 1.178 175.878 174.900 -0.333 0.000 1.114 372 G CA 0.981 46.126 45.100 0.075 0.000 0.757 372 G HN 0.667 nan 8.290 nan 0.000 0.559 373 V N 0.903 120.496 119.914 -0.535 0.000 2.759 373 V HA -0.062 4.058 4.120 0.001 0.000 0.256 373 V C 1.667 177.465 176.094 -0.493 0.000 1.080 373 V CA 1.616 63.363 62.300 -0.921 0.000 1.101 373 V CB -0.258 31.146 31.823 -0.698 0.000 0.698 373 V HN 0.353 nan 8.190 nan 0.000 0.477 374 N N -1.419 117.050 118.700 -0.385 0.000 2.270 374 N HA 0.134 4.875 4.740 0.001 0.000 0.198 374 N C -0.150 174.883 175.510 -0.795 0.000 1.117 374 N CA 0.241 52.979 53.050 -0.521 0.000 0.845 374 N CB 0.392 38.529 38.487 -0.584 0.000 0.980 374 N HN 0.569 nan 8.380 nan 0.000 0.486 375 Y N -0.257 119.967 120.300 -0.127 0.000 3.300 375 Y HA 0.321 4.871 4.550 0.001 0.000 0.297 375 Y C 0.649 176.510 175.900 -0.064 0.000 1.747 375 Y CA -1.126 56.931 58.100 -0.071 0.000 0.937 375 Y CB 0.052 38.484 38.460 -0.046 0.000 1.377 375 Y HN -0.239 nan 8.280 nan 0.000 0.662 376 N N 0.461 119.268 118.700 0.177 0.000 2.434 376 N HA 0.207 4.947 4.740 0.001 0.000 0.272 376 N C 0.001 175.600 175.510 0.149 0.000 1.040 376 N CA 0.150 53.273 53.050 0.121 0.000 0.956 376 N CB 1.471 40.021 38.487 0.104 0.000 1.108 376 N HN 0.877 nan 8.380 nan 0.000 0.481 377 G N 1.608 110.521 108.800 0.189 0.000 3.609 377 G HA2 0.025 3.985 3.960 0.001 0.000 0.280 377 G HA3 0.025 3.985 3.960 0.001 0.000 0.280 377 G C 0.892 176.019 174.900 0.379 0.000 1.155 377 G CA -0.228 45.083 45.100 0.353 0.000 0.876 377 G HN 0.529 nan 8.290 nan 0.000 0.535 378 S N -0.049 115.811 115.700 0.268 0.000 2.395 378 S HA 0.050 4.521 4.470 0.001 0.000 0.225 378 S C 1.542 176.241 174.600 0.165 0.000 1.027 378 S CA 1.232 59.561 58.200 0.216 0.000 0.965 378 S CB 0.152 63.420 63.200 0.113 0.000 0.812 378 S HN 0.684 nan 8.310 nan 0.000 0.482 379 T N -1.015 113.616 114.554 0.128 0.000 2.838 379 T HA 0.730 5.080 4.350 0.001 0.000 0.292 379 T C -1.495 173.250 174.700 0.076 0.000 1.113 379 T CA -0.801 61.246 62.100 -0.089 0.000 1.008 379 T CB 1.866 70.659 68.868 -0.124 0.000 1.259 379 T HN -0.025 nan 8.240 nan 0.000 0.520 380 L N 0.843 122.013 121.223 -0.088 0.000 2.752 380 L HA 0.586 4.927 4.340 0.001 0.000 0.257 380 L C 0.474 177.229 176.870 -0.191 0.000 0.968 380 L CA 1.469 56.292 54.840 -0.028 0.000 0.953 380 L CB 0.638 42.775 42.059 0.130 0.000 1.286 380 L HN 1.594 nan 8.230 nan 0.000 0.443 381 G N 5.431 114.145 108.800 -0.144 0.000 2.556 381 G HA2 -0.256 3.705 3.960 0.001 0.000 0.283 381 G HA3 -0.256 3.705 3.960 0.001 0.000 0.283 381 G C -1.758 173.036 174.900 -0.175 0.000 1.177 381 G CA 0.184 45.196 45.100 -0.147 0.000 0.978 381 G HN 0.572 nan 8.290 nan 0.000 0.554 382 P HA 0.279 nan 4.420 nan 0.000 0.251 382 P C 0.830 177.931 177.300 -0.332 0.000 1.223 382 P CA 0.245 63.209 63.100 -0.227 0.000 0.796 382 P CB 0.070 31.645 31.700 -0.208 0.000 1.068 383 L N 0.483 121.449 121.223 -0.428 0.000 2.397 383 L HA 0.242 4.582 4.340 0.001 0.000 0.271 383 L C 0.570 176.979 176.870 -0.768 0.000 1.148 383 L CA -0.026 54.465 54.840 -0.582 0.000 0.825 383 L CB 0.358 42.031 42.059 -0.643 0.000 1.117 383 L HN -0.132 nan 8.230 nan 0.000 0.456 384 E N 1.912 121.684 120.200 -0.713 0.000 2.199 384 E HA 0.498 4.849 4.350 0.001 0.000 0.265 384 E C -1.332 174.925 176.600 -0.573 0.000 0.882 384 E CA -0.502 55.544 56.400 -0.590 0.000 0.759 384 E CB 1.644 31.183 29.700 -0.268 0.000 1.148 384 E HN 0.192 nan 8.360 nan 0.000 0.412 385 F N 0.660 120.597 119.950 -0.022 0.000 2.509 385 F HA 0.301 4.828 4.527 0.001 0.000 0.334 385 F C 0.926 176.751 175.800 0.043 0.000 1.060 385 F CA -1.077 56.918 58.000 -0.009 0.000 0.997 385 F CB 0.759 39.648 39.000 -0.185 0.000 1.271 385 F HN 0.225 nan 8.300 nan 0.000 0.488 386 E N 1.922 122.318 120.200 0.327 0.000 1.775 386 E HA 0.355 4.706 4.350 0.001 0.000 0.266 386 E C 0.623 177.357 176.600 0.223 0.000 1.191 386 E CA 0.291 56.829 56.400 0.230 0.000 1.048 386 E CB -0.395 29.433 29.700 0.212 0.000 1.081 386 E HN 0.796 nan 8.360 nan 0.000 0.434 387 G N 3.054 111.965 108.800 0.184 0.000 2.760 387 G HA2 -0.255 3.705 3.960 0.001 0.000 0.246 387 G HA3 -0.255 3.705 3.960 0.001 0.000 0.246 387 G C -0.392 174.641 174.900 0.222 0.000 1.359 387 G CA -0.573 44.638 45.100 0.185 0.000 0.861 387 G HN 0.486 nan 8.290 nan 0.000 0.541 388 D N 1.019 121.554 120.400 0.225 0.000 2.441 388 D HA 0.309 4.950 4.640 0.001 0.000 0.243 388 D C 2.199 178.706 176.300 0.345 0.000 1.257 388 D CA 0.835 54.988 54.000 0.254 0.000 1.027 388 D CB -0.008 40.923 40.800 0.218 0.000 1.084 388 D HN 0.728 nan 8.370 nan 0.000 0.514 389 T N 0.683 115.471 114.554 0.390 0.000 2.833 389 T HA -0.156 4.195 4.350 0.001 0.000 0.269 389 T C 1.806 176.985 174.700 0.798 0.000 1.054 389 T CA 1.013 63.461 62.100 0.579 0.000 1.135 389 T CB -0.005 68.986 68.868 0.205 0.000 0.869 389 T HN 0.255 nan 8.240 nan 0.000 0.466 390 A N 1.489 124.611 122.820 0.502 0.000 1.872 390 A HA -0.051 4.270 4.320 0.001 0.000 0.214 390 A C 2.241 179.916 177.584 0.151 0.000 1.187 390 A CA 1.833 53.893 52.037 0.037 0.000 0.614 390 A CB -1.245 17.511 19.000 -0.406 0.000 0.826 390 A HN 0.713 nan 8.150 nan 0.000 0.442 391 H N -0.314 118.807 119.070 0.085 0.000 2.421 391 H HA -0.084 4.473 4.556 0.001 0.000 0.298 391 H C 2.066 177.430 175.328 0.060 0.000 1.087 391 H CA 2.111 58.182 56.048 0.038 0.000 1.330 391 H CB -0.204 29.577 29.762 0.033 0.000 1.388 391 H HN 0.581 nan 8.280 nan 0.000 0.526 392 Q N -1.085 118.770 119.800 0.092 0.000 2.050 392 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 392 Q C 1.960 177.917 176.000 -0.072 0.000 0.980 392 Q CA 1.848 57.675 55.803 0.039 0.000 0.840 392 Q CB -0.335 28.599 28.738 0.328 0.000 0.898 392 Q HN 0.659 nan 8.270 nan 0.000 0.424 393 Y N 0.966 121.218 120.300 -0.081 0.000 2.200 393 Y HA -0.163 4.388 4.550 0.001 0.000 0.290 393 Y C 1.965 177.781 175.900 -0.142 0.000 1.137 393 Y CA 1.436 59.410 58.100 -0.210 0.000 1.163 393 Y CB -0.028 38.389 38.460 -0.070 0.000 0.988 393 Y HN -0.093 nan 8.280 nan 0.000 0.518 394 R N -0.026 120.256 120.500 -0.363 0.000 2.096 394 R HA -0.163 4.178 4.340 0.001 0.000 0.235 394 R C 2.532 178.554 176.300 -0.464 0.000 1.127 394 R CA 1.723 57.588 56.100 -0.391 0.000 0.968 394 R CB -0.324 29.877 30.300 -0.164 0.000 0.861 394 R HN 0.364 nan 8.270 nan 0.000 0.440 395 R N 0.453 120.674 120.500 -0.464 0.000 2.080 395 R HA -0.071 4.269 4.340 0.001 0.000 0.222 395 R C 0.960 177.078 176.300 -0.303 0.000 1.107 395 R CA 1.368 57.212 56.100 -0.426 0.000 0.980 395 R CB 0.216 30.204 30.300 -0.521 0.000 0.879 395 R HN 0.125 nan 8.270 nan 0.000 0.439 396 D N -0.470 119.771 120.400 -0.266 0.000 2.271 396 D HA -0.028 4.613 4.640 0.001 0.000 0.206 396 D C 1.681 177.892 176.300 -0.148 0.000 0.967 396 D CA 0.763 54.657 54.000 -0.177 0.000 0.867 396 D CB 0.500 41.218 40.800 -0.137 0.000 0.960 396 D HN 0.108 nan 8.370 nan 0.000 0.509 397 V N 0.231 120.007 119.914 -0.231 0.000 2.870 397 V HA -0.009 4.112 4.120 0.001 0.000 0.232 397 V C 1.864 177.889 176.094 -0.114 0.000 1.161 397 V CA -0.084 62.121 62.300 -0.158 0.000 1.204 397 V CB -0.281 31.462 31.823 -0.134 0.000 1.003 397 V HN -0.050 nan 8.190 nan 0.000 0.499 398 F N 2.382 121.932 119.950 -0.667 0.000 2.027 398 F HA -0.258 4.269 4.527 0.001 0.000 0.297 398 F C 2.669 178.323 175.800 -0.244 0.000 1.129 398 F CA 2.706 60.383 58.000 -0.538 0.000 1.195 398 F CB -0.697 37.773 39.000 -0.883 0.000 0.960 398 F HN 0.103 nan 8.300 nan 0.000 0.485 399 R N 0.572 120.829 120.500 -0.405 0.000 2.082 399 R HA -0.148 4.193 4.340 0.001 0.000 0.234 399 R C -0.782 175.462 176.300 -0.093 0.000 1.136 399 R CA 2.248 58.045 56.100 -0.504 0.000 0.935 399 R CB -1.845 28.017 30.300 -0.730 0.000 0.842 399 R HN 0.206 nan 8.270 nan 0.000 0.430 400 P HA -0.118 nan 4.420 nan 0.000 0.216 400 P C 0.956 178.347 177.300 0.152 0.000 1.150 400 P CA 1.083 64.204 63.100 0.034 0.000 0.837 400 P CB -0.209 31.497 31.700 0.010 0.000 0.786 401 F N -1.018 119.005 119.950 0.123 0.000 2.134 401 F HA -0.141 4.387 4.527 0.001 0.000 0.299 401 F C 1.942 177.990 175.800 0.413 0.000 1.097 401 F CA 1.363 59.514 58.000 0.252 0.000 1.264 401 F CB -0.738 38.463 39.000 0.334 0.000 1.001 401 F HN -0.223 nan 8.300 nan 0.000 0.479 402 F N 0.834 120.891 119.950 0.178 0.000 2.206 402 F HA -0.101 4.427 4.527 0.001 0.000 0.298 402 F C 2.280 178.150 175.800 0.117 0.000 1.090 402 F CA 1.378 59.467 58.000 0.149 0.000 1.323 402 F CB -0.980 38.162 39.000 0.237 0.000 1.028 402 F HN -0.079 nan 8.300 nan 0.000 0.492 403 D N -0.118 120.437 120.400 0.259 0.000 2.178 403 D HA -0.179 4.462 4.640 0.001 0.000 0.201 403 D C 2.207 178.469 176.300 -0.064 0.000 0.980 403 D CA 0.926 55.003 54.000 0.127 0.000 0.842 403 D CB -0.299 40.551 40.800 0.083 0.000 0.948 403 D HN 0.350 nan 8.370 nan 0.000 0.472 404 E N -0.844 119.233 120.200 -0.204 0.000 2.118 404 E HA -0.192 4.158 4.350 0.001 0.000 0.195 404 E C 1.054 177.284 176.600 -0.618 0.000 0.992 404 E CA 0.965 57.073 56.400 -0.487 0.000 0.804 404 E CB 0.080 29.319 29.700 -0.768 0.000 0.741 404 E HN 0.425 nan 8.360 nan 0.000 0.458 405 Y N -1.169 119.005 120.300 -0.210 0.000 2.481 405 Y HA 0.183 4.734 4.550 0.001 0.000 0.258 405 Y C 1.704 177.488 175.900 -0.193 0.000 1.103 405 Y CA 0.046 58.013 58.100 -0.222 0.000 1.287 405 Y CB 0.457 38.728 38.460 -0.315 0.000 1.108 405 Y HN -0.034 nan 8.280 nan 0.000 0.529 406 L N -0.655 120.538 121.223 -0.050 0.000 2.515 406 L HA 0.186 4.526 4.340 0.001 0.000 0.223 406 L C 0.150 176.943 176.870 -0.129 0.000 1.079 406 L CA 0.503 55.287 54.840 -0.093 0.000 0.857 406 L CB 0.286 42.300 42.059 -0.075 0.000 1.050 406 L HN -0.167 nan 8.230 nan 0.000 0.476 407 K N 1.094 121.432 120.400 -0.102 0.000 2.527 407 K HA 0.321 4.642 4.320 0.001 0.000 0.240 407 K C -2.485 174.058 176.600 -0.096 0.000 0.989 407 K CA -1.824 54.399 56.287 -0.107 0.000 0.985 407 K CB 1.528 33.979 32.500 -0.081 0.000 1.221 407 K HN -0.244 nan 8.250 nan 0.000 0.458 408 P HA -0.010 nan 4.420 nan 0.000 0.262 408 P C 0.624 177.881 177.300 -0.072 0.000 1.199 408 P CA 0.806 63.858 63.100 -0.081 0.000 0.763 408 P CB 0.809 32.468 31.700 -0.069 0.000 0.790 409 G N 1.661 110.417 108.800 -0.074 0.000 2.201 409 G HA2 -0.203 3.758 3.960 0.001 0.000 0.212 409 G HA3 -0.203 3.758 3.960 0.001 0.000 0.212 409 G C 0.533 175.393 174.900 -0.067 0.000 0.994 409 G CA -0.237 44.825 45.100 -0.062 0.000 0.644 409 G HN 0.551 nan 8.290 nan 0.000 0.508 410 S N 0.578 116.229 115.700 -0.083 0.000 2.600 410 S HA 0.634 5.104 4.470 0.001 0.000 0.265 410 S C 1.021 175.564 174.600 -0.096 0.000 1.325 410 S CA 0.270 58.421 58.200 -0.082 0.000 1.002 410 S CB 1.072 64.220 63.200 -0.086 0.000 0.921 410 S HN 1.592 nan 8.310 nan 0.000 0.554 411 A N 1.914 124.686 122.820 -0.081 0.000 2.498 411 A HA 0.346 4.666 4.320 0.001 0.000 0.239 411 A C 0.472 177.981 177.584 -0.125 0.000 1.068 411 A CA -0.076 51.913 52.037 -0.080 0.000 0.766 411 A CB 0.062 19.028 19.000 -0.056 0.000 1.003 411 A HN 0.588 nan 8.150 nan 0.000 0.497 412 S N 0.134 115.752 115.700 -0.136 0.000 2.489 412 S HA 0.454 4.925 4.470 0.001 0.000 0.277 412 S C -0.006 174.439 174.600 -0.259 0.000 1.230 412 S CA -0.306 57.756 58.200 -0.231 0.000 1.053 412 S CB 0.346 63.414 63.200 -0.219 0.000 0.955 412 S HN 1.247 nan 8.310 nan 0.000 0.488 413 V N 3.454 123.216 119.914 -0.254 0.000 2.483 413 V HA 0.594 4.715 4.120 0.001 0.000 0.295 413 V C -0.669 175.308 176.094 -0.193 0.000 1.035 413 V CA -0.682 61.542 62.300 -0.127 0.000 0.896 413 V CB 1.406 33.269 31.823 0.068 0.000 0.986 413 V HN 0.840 nan 8.190 nan 0.000 0.447 414 H N 5.438 124.588 119.070 0.134 0.000 2.683 414 H HA 0.488 5.045 4.556 0.001 0.000 0.270 414 H C -0.452 174.969 175.328 0.155 0.000 1.201 414 H CA -0.319 55.818 56.048 0.148 0.000 1.277 414 H CB 1.375 31.199 29.762 0.104 0.000 1.400 414 H HN 0.605 nan 8.280 nan 0.000 0.504 415 L N 4.896 126.271 121.223 0.254 0.000 2.371 415 L HA 0.237 4.577 4.340 0.001 0.000 0.272 415 L C -1.396 175.590 176.870 0.194 0.000 1.124 415 L CA -1.584 53.367 54.840 0.185 0.000 0.816 415 L CB 0.704 42.794 42.059 0.051 0.000 1.129 415 L HN 0.355 nan 8.230 nan 0.000 0.448 416 P HA 0.150 nan 4.420 nan 0.000 0.297 416 P C -0.135 177.280 177.300 0.192 0.000 1.303 416 P CA -0.435 62.781 63.100 0.193 0.000 0.753 416 P CB 0.934 32.756 31.700 0.204 0.000 1.281 417 D N -0.911 119.644 120.400 0.259 0.000 2.097 417 D HA 0.046 4.687 4.640 0.001 0.000 0.195 417 D C 0.485 176.932 176.300 0.244 0.000 0.989 417 D CA 1.550 55.787 54.000 0.396 0.000 0.827 417 D CB -0.248 40.850 40.800 0.497 0.000 0.966 417 D HN 0.530 nan 8.370 nan 0.000 0.456 418 A N -0.778 122.072 122.820 0.050 0.000 2.549 418 A HA 0.638 4.958 4.320 0.001 0.000 0.297 418 A C -1.337 176.042 177.584 -0.341 0.000 1.061 418 A CA -0.589 51.268 52.037 -0.300 0.000 0.690 418 A CB 1.260 19.892 19.000 -0.613 0.000 1.287 418 A HN 0.044 nan 8.150 nan 0.000 0.402 419 I N 2.645 122.935 120.570 -0.466 0.000 2.437 419 I HA 0.378 4.549 4.170 0.001 0.000 0.279 419 I C -1.107 174.797 176.117 -0.355 0.000 1.028 419 I CA -0.022 60.948 61.300 -0.550 0.000 1.142 419 I CB 0.931 38.505 38.000 -0.710 0.000 1.266 419 I HN 0.472 nan 8.210 nan 0.000 0.461 420 I N 5.368 125.750 120.570 -0.312 0.000 2.474 420 I HA 0.317 4.487 4.170 0.001 0.000 0.294 420 I C -0.535 175.457 176.117 -0.208 0.000 1.005 420 I CA -0.933 60.208 61.300 -0.265 0.000 1.113 420 I CB 1.659 39.393 38.000 -0.445 0.000 1.289 420 I HN 0.335 nan 8.210 nan 0.000 0.436 421 Y N 5.427 125.373 120.300 -0.589 0.000 2.346 421 Y HA 0.169 4.719 4.550 0.001 0.000 0.330 421 Y C 0.477 176.030 175.900 -0.578 0.000 1.178 421 Y CA 0.060 57.602 58.100 -0.929 0.000 1.331 421 Y CB 0.651 38.202 38.460 -1.516 0.000 1.253 421 Y HN 0.536 nan 8.280 nan 0.000 0.529 422 N N 3.824 122.000 118.700 -0.873 0.000 2.437 422 N HA 0.002 4.743 4.740 0.001 0.000 0.243 422 N C 0.449 175.725 175.510 -0.391 0.000 1.041 422 N CA 0.339 53.087 53.050 -0.504 0.000 0.940 422 N CB 1.065 39.303 38.487 -0.414 0.000 1.133 422 N HN 0.905 nan 8.380 nan 0.000 0.506 423 T N -0.078 114.418 114.554 -0.097 0.000 3.155 423 T HA 0.025 4.375 4.350 0.001 0.000 0.264 423 T C 1.350 176.137 174.700 0.144 0.000 1.160 423 T CA 0.712 62.917 62.100 0.175 0.000 1.075 423 T CB 0.157 69.158 68.868 0.223 0.000 0.921 423 T HN 0.462 nan 8.240 nan 0.000 0.533 424 G N 0.531 109.209 108.800 -0.203 0.000 2.881 424 G HA2 0.097 4.058 3.960 0.001 0.000 0.198 424 G HA3 0.097 4.058 3.960 0.001 0.000 0.198 424 G C 1.169 175.918 174.900 -0.251 0.000 1.081 424 G CA -0.011 44.838 45.100 -0.419 0.000 0.787 424 G HN 0.356 nan 8.290 nan 0.000 0.622 425 D N 0.544 120.792 120.400 -0.254 0.000 2.289 425 D HA 0.051 4.691 4.640 0.001 0.000 0.207 425 D C 0.419 176.598 176.300 -0.202 0.000 0.966 425 D CA 0.454 54.330 54.000 -0.207 0.000 0.868 425 D CB 0.190 40.863 40.800 -0.211 0.000 0.943 425 D HN 0.095 nan 8.370 nan 0.000 0.514 426 Q N -0.281 119.356 119.800 -0.272 0.000 2.459 426 Q HA -0.208 4.133 4.340 0.001 0.000 0.314 426 Q C -0.468 175.296 176.000 -0.393 0.000 1.432 426 Q CA 0.802 56.465 55.803 -0.234 0.000 0.823 426 Q CB -2.059 26.700 28.738 0.034 0.000 1.124 426 Q HN 0.587 nan 8.270 nan 0.000 0.392 427 K N -2.611 117.274 120.400 -0.857 0.000 2.642 427 K HA 0.581 4.901 4.320 0.001 0.000 0.290 427 K C -1.345 174.791 176.600 -0.774 0.000 1.006 427 K CA -1.021 54.914 56.287 -0.587 0.000 0.869 427 K CB 0.653 33.012 32.500 -0.235 0.000 1.499 427 K HN -0.017 nan 8.250 nan 0.000 0.403 428 W N 1.717 122.854 121.300 -0.272 0.000 2.287 428 W HA 0.275 4.935 4.660 0.001 0.000 0.313 428 W C -0.421 175.981 176.519 -0.195 0.000 1.267 428 W CA 0.260 57.488 57.345 -0.196 0.000 1.201 428 W CB 0.979 30.451 29.460 0.018 0.000 1.196 428 W HN 0.368 nan 8.180 nan 0.000 0.536 429 D N 2.345 122.692 120.400 -0.089 0.000 2.217 429 D HA 0.181 4.821 4.640 0.001 0.000 0.243 429 D C -1.269 174.754 176.300 -0.461 0.000 1.054 429 D CA -0.583 53.212 54.000 -0.342 0.000 0.838 429 D CB 1.293 41.709 40.800 -0.640 0.000 1.162 429 D HN 0.173 nan 8.370 nan 0.000 0.472 430 Y N 1.874 121.889 120.300 -0.475 0.000 2.402 430 Y HA 0.244 4.794 4.550 0.001 0.000 0.332 430 Y C -0.519 175.186 175.900 -0.324 0.000 0.960 430 Y CA -0.708 57.205 58.100 -0.312 0.000 1.228 430 Y CB 0.601 38.974 38.460 -0.144 0.000 1.120 430 Y HN 0.213 nan 8.280 nan 0.000 0.491 431 Y N 2.971 123.311 120.300 0.067 0.000 2.385 431 Y HA 0.344 4.895 4.550 0.001 0.000 0.341 431 Y C 1.507 177.504 175.900 0.163 0.000 0.965 431 Y CA -1.090 57.086 58.100 0.127 0.000 1.180 431 Y CB 0.939 39.499 38.460 0.166 0.000 1.139 431 Y HN 0.543 nan 8.280 nan 0.000 0.502 432 R N 1.036 121.718 120.500 0.304 0.000 2.105 432 R HA -0.089 4.252 4.340 0.001 0.000 0.239 432 R C 0.050 176.503 176.300 0.256 0.000 1.135 432 R CA 1.051 57.293 56.100 0.237 0.000 0.967 432 R CB 0.155 30.561 30.300 0.177 0.000 0.861 432 R HN 0.506 nan 8.270 nan 0.000 0.442 433 S N -0.745 115.123 115.700 0.280 0.000 2.647 433 S HA 0.391 4.862 4.470 0.001 0.000 0.300 433 S C -2.049 172.742 174.600 0.319 0.000 1.129 433 S CA -0.724 57.626 58.200 0.250 0.000 1.029 433 S CB 0.751 64.039 63.200 0.147 0.000 1.007 433 S HN 0.301 nan 8.310 nan 0.000 0.484 434 W N 6.407 127.798 121.300 0.151 0.000 3.129 434 W HA 0.585 5.245 4.660 0.001 0.000 0.333 434 W C -2.921 173.712 176.519 0.190 0.000 1.141 434 W CA -1.554 55.846 57.345 0.091 0.000 1.224 434 W CB 1.564 31.068 29.460 0.074 0.000 1.393 434 W HN 0.474 nan 8.180 nan 0.000 0.499 435 P HA 0.233 nan 4.420 nan 0.000 0.279 435 P C 0.327 177.324 177.300 -0.505 0.000 1.252 435 P CA -0.261 62.105 63.100 -1.224 0.000 0.811 435 P CB 1.668 32.493 31.700 -1.458 0.000 1.035 436 S N -0.346 115.100 115.700 -0.424 0.000 2.496 436 S HA 0.138 4.608 4.470 0.001 0.000 0.224 436 S C 0.615 175.098 174.600 -0.194 0.000 0.996 436 S CA 0.209 58.282 58.200 -0.211 0.000 0.927 436 S CB -0.748 62.371 63.200 -0.136 0.000 0.774 436 S HN 0.389 nan 8.310 nan 0.000 0.524 437 V N -0.604 119.155 119.914 -0.258 0.000 2.760 437 V HA 0.894 5.014 4.120 0.001 0.000 0.309 437 V C -0.308 175.654 176.094 -0.220 0.000 1.077 437 V CA -0.837 61.347 62.300 -0.192 0.000 0.910 437 V CB 0.429 32.164 31.823 -0.146 0.000 1.008 437 V HN 0.855 nan 8.190 nan 0.000 0.424 438 C N 1.881 121.087 119.300 -0.157 0.000 3.253 438 C HA 0.550 5.011 4.460 0.001 0.000 0.362 438 C C 1.125 176.067 174.990 -0.081 0.000 1.487 438 C CA 0.061 58.995 59.018 -0.140 0.000 1.179 438 C CB 1.151 28.786 27.740 -0.175 0.000 1.660 438 C HN 0.982 nan 8.230 nan 0.000 0.438 439 E N 1.395 121.562 120.200 -0.054 0.000 2.038 439 E HA -0.026 4.324 4.350 0.001 0.000 0.195 439 E C 0.795 177.383 176.600 -0.021 0.000 1.000 439 E CA 2.227 58.619 56.400 -0.014 0.000 0.803 439 E CB -0.112 29.606 29.700 0.029 0.000 0.750 439 E HN 0.929 nan 8.360 nan 0.000 0.448 440 S N -0.885 114.796 115.700 -0.031 0.000 2.537 440 S HA 0.403 4.873 4.470 0.001 0.000 0.270 440 S C -0.731 173.844 174.600 -0.043 0.000 1.142 440 S CA -0.803 57.379 58.200 -0.030 0.000 0.870 440 S CB 1.580 64.770 63.200 -0.017 0.000 1.112 440 S HN 0.273 nan 8.310 nan 0.000 0.466 441 N N -1.124 117.552 118.700 -0.040 0.000 2.771 441 N HA -0.115 4.626 4.740 0.001 0.000 0.249 441 N C -0.911 174.563 175.510 -0.060 0.000 1.069 441 N CA 0.831 53.854 53.050 -0.044 0.000 0.688 441 N CB -1.939 36.523 38.487 -0.042 0.000 0.928 441 N HN 0.792 nan 8.380 nan 0.000 0.551 442 C N -1.444 117.819 119.300 -0.061 0.000 3.241 442 C HA 0.458 4.919 4.460 0.001 0.000 0.312 442 C C 2.082 177.036 174.990 -0.060 0.000 1.350 442 C CA -0.413 58.560 59.018 -0.076 0.000 1.415 442 C CB 1.467 29.142 27.740 -0.108 0.000 1.770 442 C HN 0.579 nan 8.230 nan 0.000 0.466 443 T N 0.777 115.296 114.554 -0.059 0.000 2.803 443 T HA 0.108 4.459 4.350 0.001 0.000 0.269 443 T C 0.719 175.392 174.700 -0.045 0.000 1.052 443 T CA 1.700 63.774 62.100 -0.043 0.000 1.136 443 T CB -0.147 68.699 68.868 -0.036 0.000 0.864 443 T HN 1.001 nan 8.240 nan 0.000 0.467 444 G N -0.890 107.874 108.800 -0.060 0.000 2.690 444 G HA2 0.597 4.558 3.960 0.001 0.000 0.291 444 G HA3 0.597 4.558 3.960 0.001 0.000 0.291 444 G C -0.418 174.444 174.900 -0.063 0.000 1.403 444 G CA -0.368 44.699 45.100 -0.055 0.000 0.864 444 G HN 0.317 nan 8.290 nan 0.000 0.480 445 G N -1.282 107.489 108.800 -0.049 0.000 2.535 445 G HA2 0.570 4.531 3.960 0.001 0.000 0.303 445 G HA3 0.570 4.531 3.960 0.001 0.000 0.303 445 G C -0.168 174.702 174.900 -0.050 0.000 1.237 445 G CA -0.843 44.230 45.100 -0.046 0.000 0.986 445 G HN 0.625 nan 8.290 nan 0.000 0.494 446 L N -0.423 120.775 121.223 -0.042 0.000 2.399 446 L HA 0.379 4.719 4.340 0.001 0.000 0.266 446 L C 0.337 177.192 176.870 -0.024 0.000 1.114 446 L CA -0.458 54.358 54.840 -0.041 0.000 0.804 446 L CB 1.506 43.539 42.059 -0.043 0.000 1.146 446 L HN 0.312 nan 8.230 nan 0.000 0.451 447 T N 2.251 116.798 114.554 -0.010 0.000 2.749 447 T HA 0.356 4.706 4.350 0.001 0.000 0.287 447 T C -2.511 172.206 174.700 0.027 0.000 0.970 447 T CA -1.306 60.807 62.100 0.022 0.000 0.980 447 T CB 1.293 70.170 68.868 0.014 0.000 0.924 447 T HN 0.279 nan 8.240 nan 0.000 0.456 448 P HA 0.282 nan 4.420 nan 0.000 0.282 448 P C -0.790 176.280 177.300 -0.384 0.000 1.262 448 P CA -0.742 62.160 63.100 -0.330 0.000 0.773 448 P CB 0.500 31.810 31.700 -0.650 0.000 0.879 449 L N 5.991 126.982 121.223 -0.386 0.000 2.321 449 L HA 0.369 4.709 4.340 0.001 0.000 0.272 449 L C -0.959 175.666 176.870 -0.409 0.000 1.050 449 L CA -0.878 53.668 54.840 -0.491 0.000 0.893 449 L CB -0.826 40.924 42.059 -0.515 0.000 1.272 449 L HN 0.188 nan 8.230 nan 0.000 0.435 450 Y N 3.779 123.980 120.300 -0.165 0.000 2.480 450 Y HA 0.233 4.784 4.550 0.001 0.000 0.338 450 Y C 0.286 176.066 175.900 -0.201 0.000 1.220 450 Y CA -0.077 57.948 58.100 -0.124 0.000 1.430 450 Y CB 0.381 38.813 38.460 -0.047 0.000 1.311 450 Y HN 0.378 nan 8.280 nan 0.000 0.575 451 L N 2.643 123.823 121.223 -0.071 0.000 2.350 451 L HA 0.578 4.919 4.340 0.001 0.000 0.275 451 L C 0.311 177.046 176.870 -0.225 0.000 1.099 451 L CA 0.198 54.847 54.840 -0.319 0.000 0.808 451 L CB 0.677 42.362 42.059 -0.622 0.000 1.149 451 L HN 0.861 nan 8.230 nan 0.000 0.442 452 A N 2.227 124.891 122.820 -0.261 0.000 2.486 452 A HA 0.501 4.822 4.320 0.001 0.000 0.277 452 A C -0.793 176.504 177.584 -0.478 0.000 1.282 452 A CA -0.678 51.184 52.037 -0.291 0.000 0.784 452 A CB 0.635 19.567 19.000 -0.113 0.000 1.350 452 A HN 0.585 nan 8.150 nan 0.000 0.454 453 D N -0.541 119.714 120.400 -0.241 0.000 2.362 453 D HA 0.390 5.031 4.640 0.001 0.000 0.242 453 D C 1.077 177.327 176.300 -0.084 0.000 1.132 453 D CA 1.810 55.738 54.000 -0.119 0.000 0.907 453 D CB 0.781 41.594 40.800 0.021 0.000 1.195 453 D HN 1.363 nan 8.370 nan 0.000 0.429 454 G N 2.806 111.576 108.800 -0.049 0.000 2.221 454 G HA2 -0.301 3.660 3.960 0.001 0.000 0.265 454 G HA3 -0.301 3.660 3.960 0.001 0.000 0.265 454 G C 0.424 175.364 174.900 0.067 0.000 1.041 454 G CA 0.567 45.684 45.100 0.028 0.000 0.807 454 G HN 0.862 nan 8.290 nan 0.000 0.502 455 H N -2.430 116.564 119.070 -0.127 0.000 2.713 455 H HA -0.170 4.387 4.556 0.001 0.000 0.311 455 H C 1.337 176.635 175.328 -0.050 0.000 1.175 455 H CA 1.704 57.611 56.048 -0.235 0.000 1.143 455 H CB -1.342 28.220 29.762 -0.334 0.000 1.434 455 H HN 1.376 nan 8.280 nan 0.000 0.418 456 G N -0.169 108.684 108.800 0.088 0.000 2.601 456 G HA2 0.658 4.618 3.960 0.001 0.000 0.317 456 G HA3 0.658 4.618 3.960 0.001 0.000 0.317 456 G C -0.365 174.568 174.900 0.054 0.000 1.246 456 G CA -0.820 44.318 45.100 0.063 0.000 1.012 456 G HN 0.125 nan 8.290 nan 0.000 0.494 457 L N 0.253 121.463 121.223 -0.022 0.000 2.438 457 L HA 0.600 4.941 4.340 0.001 0.000 0.270 457 L C -0.298 176.483 176.870 -0.149 0.000 0.972 457 L CA -0.597 54.177 54.840 -0.109 0.000 0.831 457 L CB 2.349 44.316 42.059 -0.154 0.000 1.273 457 L HN 0.566 nan 8.230 nan 0.000 0.405 458 S N 0.773 116.384 115.700 -0.148 0.000 2.569 458 S HA 0.561 5.032 4.470 0.001 0.000 0.280 458 S C 0.044 174.594 174.600 -0.084 0.000 1.111 458 S CA -0.420 57.721 58.200 -0.098 0.000 0.887 458 S CB 1.149 64.350 63.200 0.001 0.000 1.095 458 S HN 0.438 nan 8.310 nan 0.000 0.476 459 F N 1.663 121.673 119.950 0.099 0.000 2.710 459 F HA 0.189 4.717 4.527 0.001 0.000 0.298 459 F C 1.508 177.449 175.800 0.234 0.000 1.137 459 F CA 0.394 58.473 58.000 0.131 0.000 1.444 459 F CB 0.092 39.127 39.000 0.057 0.000 1.111 459 F HN 0.370 nan 8.300 nan 0.000 0.580 460 T N 0.355 115.091 114.554 0.303 0.000 2.817 460 T HA 0.016 4.366 4.350 0.001 0.000 0.293 460 T C -0.134 174.606 174.700 0.067 0.000 0.964 460 T CA -0.382 61.830 62.100 0.188 0.000 1.085 460 T CB 0.298 69.223 68.868 0.094 0.000 0.921 460 T HN 0.129 nan 8.240 nan 0.000 0.502 461 H N 5.770 124.725 119.070 -0.191 0.000 2.975 461 H HA 0.123 4.680 4.556 0.001 0.000 0.303 461 H C -2.330 172.772 175.328 -0.377 0.000 1.023 461 H CA -1.430 54.198 56.048 -0.700 0.000 1.473 461 H CB 0.659 30.059 29.762 -0.602 0.000 1.498 461 H HN 0.277 nan 8.280 nan 0.000 0.549 462 P HA 0.170 nan 4.420 nan 0.000 0.292 462 P C 0.208 177.074 177.300 -0.724 0.000 1.326 462 P CA -0.380 62.400 63.100 -0.533 0.000 0.787 462 P CB 1.307 32.829 31.700 -0.296 0.000 0.903 463 A N 3.860 126.398 122.820 -0.469 0.000 1.933 463 A HA 0.128 4.449 4.320 0.001 0.000 0.218 463 A C 1.270 178.731 177.584 -0.206 0.000 1.175 463 A CA 1.111 52.963 52.037 -0.309 0.000 0.628 463 A CB -1.023 17.898 19.000 -0.131 0.000 0.814 463 A HN 0.625 nan 8.150 nan 0.000 0.444 464 A N 0.829 123.547 122.820 -0.169 0.000 2.488 464 A HA 0.373 4.693 4.320 0.001 0.000 0.249 464 A C -0.373 177.124 177.584 -0.144 0.000 1.083 464 A CA -0.327 51.637 52.037 -0.122 0.000 0.768 464 A CB 0.001 18.948 19.000 -0.089 0.000 1.017 464 A HN 0.392 nan 8.150 nan 0.000 0.496 465 D N 0.857 121.180 120.400 -0.128 0.000 2.382 465 D HA 0.515 5.156 4.640 0.001 0.000 0.245 465 D C 0.422 176.512 176.300 -0.350 0.000 1.120 465 D CA 1.277 55.179 54.000 -0.164 0.000 0.890 465 D CB 1.559 42.346 40.800 -0.022 0.000 1.201 465 D HN 0.784 nan 8.370 nan 0.000 0.433 466 G N -0.568 107.754 108.800 -0.797 0.000 2.646 466 G HA2 0.666 4.627 3.960 0.001 0.000 0.291 466 G HA3 0.666 4.627 3.960 0.001 0.000 0.291 466 G C -1.872 172.209 174.900 -1.365 0.000 1.445 466 G CA -0.386 44.121 45.100 -0.988 0.000 0.814 466 G HN 0.563 nan 8.290 nan 0.000 0.495 467 A N 0.488 122.921 122.820 -0.646 0.000 2.574 467 A HA 0.800 5.121 4.320 0.001 0.000 0.297 467 A C -1.981 175.626 177.584 0.039 0.000 1.062 467 A CA -0.692 51.185 52.037 -0.267 0.000 0.686 467 A CB 2.099 21.008 19.000 -0.152 0.000 1.285 467 A HN 0.489 nan 8.150 nan 0.000 0.403 468 D N 0.878 121.371 120.400 0.156 0.000 2.646 468 D HA 0.639 5.280 4.640 0.001 0.000 0.245 468 D C -0.704 175.723 176.300 0.212 0.000 1.099 468 D CA 0.013 54.114 54.000 0.169 0.000 0.849 468 D CB 2.176 43.062 40.800 0.144 0.000 1.448 468 D HN 0.333 nan 8.370 nan 0.000 0.489 469 S N 0.861 116.674 115.700 0.189 0.000 2.578 469 S HA 0.722 5.193 4.470 0.001 0.000 0.301 469 S C -0.981 173.777 174.600 0.262 0.000 1.091 469 S CA -0.769 57.535 58.200 0.173 0.000 1.032 469 S CB 1.166 64.424 63.200 0.097 0.000 1.064 469 S HN 0.458 nan 8.310 nan 0.000 0.508 470 Y N -1.418 118.960 120.300 0.130 0.000 2.519 470 Y HA 0.721 5.272 4.550 0.002 0.000 0.336 470 Y C -1.401 174.559 175.900 0.100 0.000 1.089 470 Y CA -1.305 56.861 58.100 0.110 0.000 1.025 470 Y CB 0.261 38.792 38.460 0.119 0.000 1.318 470 Y HN 0.282 nan 8.280 nan 0.000 0.452 471 V N 3.303 123.323 119.914 0.177 0.000 2.461 471 V HA 0.352 4.473 4.120 0.001 0.000 0.275 471 V C -0.015 176.168 176.094 0.148 0.000 1.047 471 V CA -0.215 62.140 62.300 0.091 0.000 0.955 471 V CB 1.297 33.168 31.823 0.079 0.000 0.988 471 V HN 0.834 nan 8.190 nan 0.000 0.471 472 S N 3.727 119.471 115.700 0.072 0.000 2.461 472 S HA 0.295 4.766 4.470 0.001 0.000 0.322 472 S C -0.649 173.996 174.600 0.075 0.000 1.063 472 S CA -0.676 57.585 58.200 0.101 0.000 1.120 472 S CB 0.345 63.566 63.200 0.035 0.000 0.968 472 S HN 0.836 nan 8.310 nan 0.000 0.467 473 D N 5.364 125.827 120.400 0.104 0.000 2.392 473 D HA 0.455 5.096 4.640 0.001 0.000 0.228 473 D C -1.854 174.499 176.300 0.088 0.000 1.074 473 D CA -2.285 51.782 54.000 0.110 0.000 0.838 473 D CB 1.847 42.742 40.800 0.158 0.000 1.067 473 D HN 0.208 nan 8.370 nan 0.000 0.511 474 P HA 0.019 nan 4.420 nan 0.000 0.226 474 P C 0.721 177.928 177.300 -0.154 0.000 1.153 474 P CA 0.546 63.631 63.100 -0.026 0.000 0.777 474 P CB 0.305 32.056 31.700 0.086 0.000 0.794 475 A N -1.371 121.390 122.820 -0.099 0.000 2.119 475 A HA -0.062 4.258 4.320 0.001 0.000 0.216 475 A C 0.310 177.606 177.584 -0.480 0.000 1.152 475 A CA 0.975 52.854 52.037 -0.263 0.000 0.708 475 A CB -0.947 17.946 19.000 -0.178 0.000 0.805 475 A HN 0.257 nan 8.150 nan 0.000 0.460 476 H N -0.514 118.542 119.070 -0.024 0.000 2.490 476 H HA 0.276 4.833 4.556 0.001 0.000 0.230 476 H C -2.844 172.529 175.328 0.074 0.000 1.417 476 H CA -1.594 54.489 56.048 0.058 0.000 1.449 476 H CB 0.612 30.417 29.762 0.072 0.000 1.649 476 H HN 0.256 nan 8.280 nan 0.000 0.519 477 P HA 0.022 nan 4.420 nan 0.000 0.274 477 P C 0.063 177.550 177.300 0.311 0.000 1.237 477 P CA -0.386 62.772 63.100 0.096 0.000 0.793 477 P CB 1.575 33.159 31.700 -0.193 0.000 0.977 478 V N 3.270 123.358 119.914 0.290 0.000 2.470 478 V HA 0.133 4.254 4.120 0.001 0.000 0.276 478 V C -1.975 174.387 176.094 0.446 0.000 1.040 478 V CA -1.481 61.004 62.300 0.309 0.000 1.008 478 V CB 0.036 31.994 31.823 0.225 0.000 0.990 478 V HN 0.539 nan 8.190 nan 0.000 0.477 479 P HA 0.085 nan 4.420 nan 0.000 0.271 479 P C 0.496 177.984 177.300 0.312 0.000 1.216 479 P CA -0.271 63.048 63.100 0.365 0.000 0.771 479 P CB 0.336 32.081 31.700 0.074 0.000 0.864 480 F N 4.756 124.734 119.950 0.047 0.000 2.293 480 F HA 0.094 4.621 4.527 0.001 0.000 0.300 480 F C 0.554 176.254 175.800 -0.165 0.000 1.086 480 F CA 0.329 58.236 58.000 -0.155 0.000 1.375 480 F CB -0.701 37.777 39.000 -0.871 0.000 1.045 480 F HN 0.153 nan 8.300 nan 0.000 0.516 481 I N -3.413 116.649 120.570 -0.846 0.000 3.006 481 I HA 0.479 4.649 4.170 0.001 0.000 0.306 481 I C -0.178 175.686 176.117 -0.422 0.000 1.250 481 I CA -1.411 59.482 61.300 -0.678 0.000 0.996 481 I CB 1.614 39.014 38.000 -1.001 0.000 1.261 481 I HN -0.277 nan 8.210 nan 0.000 0.442 482 S N 1.890 117.437 115.700 -0.255 0.000 2.561 482 S HA 0.118 4.589 4.470 0.001 0.000 0.294 482 S C 0.183 174.698 174.600 -0.142 0.000 1.294 482 S CA -0.192 57.910 58.200 -0.163 0.000 1.055 482 S CB 0.024 63.155 63.200 -0.115 0.000 0.819 482 S HN 0.461 nan 8.310 nan 0.000 0.503 483 R N 2.504 122.927 120.500 -0.128 0.000 2.459 483 R HA 0.386 4.727 4.340 0.001 0.000 0.281 483 R C -2.051 174.215 176.300 -0.057 0.000 1.050 483 R CA -1.361 54.678 56.100 -0.101 0.000 1.055 483 R CB 0.173 30.358 30.300 -0.191 0.000 1.045 483 R HN 0.457 nan 8.270 nan 0.000 0.495 484 P HA 0.300 nan 4.420 nan 0.000 0.285 484 P C -1.398 175.942 177.300 0.068 0.000 1.269 484 P CA -0.383 62.724 63.100 0.010 0.000 0.844 484 P CB 0.841 32.542 31.700 0.003 0.000 1.094 485 F N 0.625 120.516 119.950 -0.099 0.000 2.581 485 F HA 0.648 5.175 4.527 0.001 0.000 0.311 485 F C -1.708 173.990 175.800 -0.171 0.000 1.113 485 F CA -0.582 57.328 58.000 -0.151 0.000 0.935 485 F CB 1.817 40.675 39.000 -0.237 0.000 1.232 485 F HN 0.562 nan 8.300 nan 0.000 0.445 486 A N 4.756 126.856 122.820 -1.200 0.000 2.386 486 A HA 0.585 4.905 4.320 0.001 0.000 0.311 486 A C -0.489 176.228 177.584 -1.445 0.000 1.068 486 A CA -0.571 50.891 52.037 -0.959 0.000 0.743 486 A CB 0.539 19.292 19.000 -0.410 0.000 1.258 486 A HN 0.786 nan 8.150 nan 0.000 0.429 487 F N 1.429 120.903 119.950 -0.793 0.000 2.333 487 F HA -0.095 4.432 4.527 0.001 0.000 0.300 487 F C 2.492 178.060 175.800 -0.387 0.000 1.083 487 F CA 1.938 59.587 58.000 -0.584 0.000 1.395 487 F CB -0.186 38.566 39.000 -0.413 0.000 1.056 487 F HN 0.642 nan 8.300 nan 0.000 0.529 488 A N -0.734 121.993 122.820 -0.156 0.000 2.119 488 A HA -0.101 4.220 4.320 0.001 0.000 0.217 488 A C 1.296 178.843 177.584 -0.063 0.000 1.153 488 A CA 0.283 52.273 52.037 -0.078 0.000 0.692 488 A CB -0.642 18.323 19.000 -0.059 0.000 0.799 488 A HN 0.366 nan 8.150 nan 0.000 0.458 489 Q N 0.981 120.702 119.800 -0.132 0.000 2.641 489 Q HA 0.189 4.529 4.340 0.001 0.000 0.225 489 Q C 0.753 176.850 176.000 0.163 0.000 1.309 489 Q CA -0.172 55.624 55.803 -0.013 0.000 0.935 489 Q CB 0.139 28.844 28.738 -0.054 0.000 1.557 489 Q HN 0.550 nan 8.270 nan 0.000 0.563 490 S N 0.532 116.323 115.700 0.152 0.000 2.383 490 S HA -0.220 4.251 4.470 0.001 0.000 0.229 490 S C 2.035 176.776 174.600 0.235 0.000 1.030 490 S CA 1.613 59.957 58.200 0.239 0.000 1.002 490 S CB -0.118 63.172 63.200 0.149 0.000 0.829 490 S HN 0.764 nan 8.310 nan 0.000 0.467 491 S N 1.598 117.385 115.700 0.145 0.000 2.442 491 S HA -0.012 4.459 4.470 0.001 0.000 0.236 491 S C 1.699 176.376 174.600 0.128 0.000 1.007 491 S CA 0.597 58.859 58.200 0.104 0.000 0.965 491 S CB -0.214 63.020 63.200 0.058 0.000 0.773 491 S HN 0.441 nan 8.310 nan 0.000 0.504 492 R N -0.916 119.711 120.500 0.210 0.000 2.175 492 R HA 0.162 4.503 4.340 0.001 0.000 0.202 492 R C 2.083 178.554 176.300 0.286 0.000 1.018 492 R CA 0.576 56.805 56.100 0.214 0.000 1.029 492 R CB -0.313 30.146 30.300 0.264 0.000 0.959 492 R HN 0.677 nan 8.270 nan 0.000 0.480 493 W N 2.831 124.286 121.300 0.259 0.000 2.381 493 W HA -0.135 4.525 4.660 0.001 0.000 0.301 493 W C 1.077 177.768 176.519 0.287 0.000 1.205 493 W CA 1.185 58.705 57.345 0.293 0.000 1.285 493 W CB 0.040 29.717 29.460 0.363 0.000 1.133 493 W HN -0.063 nan 8.180 nan 0.000 0.521 494 K N 0.170 120.605 120.400 0.059 0.000 2.001 494 K HA -0.186 4.135 4.320 0.001 0.000 0.214 494 K C -1.059 175.454 176.600 -0.146 0.000 1.050 494 K CA 2.001 58.231 56.287 -0.095 0.000 0.934 494 K CB -1.554 30.963 32.500 0.029 0.000 0.718 494 K HN 0.142 nan 8.250 nan 0.000 0.443 495 P HA -0.029 nan 4.420 nan 0.000 0.248 495 P C 0.314 177.517 177.300 -0.162 0.000 1.708 495 P CA -0.194 62.817 63.100 -0.148 0.000 1.062 495 P CB -0.608 31.027 31.700 -0.108 0.000 1.562 496 W N 0.434 121.564 121.300 -0.283 0.000 2.363 496 W HA -0.117 4.543 4.660 0.001 0.000 0.296 496 W C 0.555 176.942 176.519 -0.219 0.000 1.212 496 W CA 0.287 57.461 57.345 -0.285 0.000 1.260 496 W CB -1.384 27.877 29.460 -0.333 0.000 1.131 496 W HN -0.143 nan 8.180 nan 0.000 0.530 497 L N 1.990 122.622 121.223 -0.985 0.000 2.450 497 L HA -0.165 4.175 4.340 0.001 0.000 0.224 497 L C 2.309 178.884 176.870 -0.491 0.000 1.149 497 L CA 1.209 55.511 54.840 -0.897 0.000 0.816 497 L CB -0.539 41.129 42.059 -0.652 0.000 0.932 497 L HN 0.038 nan 8.230 nan 0.000 0.449 498 V N -5.044 114.568 119.914 -0.503 0.000 3.578 498 V HA 0.170 4.290 4.120 0.001 0.000 0.290 498 V C 0.961 176.997 176.094 -0.097 0.000 1.376 498 V CA -0.406 61.619 62.300 -0.458 0.000 1.083 498 V CB -0.182 31.178 31.823 -0.771 0.000 0.911 498 V HN 0.127 nan 8.190 nan 0.000 0.433 499 Q N 2.018 121.784 119.800 -0.057 0.000 2.395 499 Q HA 0.186 4.527 4.340 0.001 0.000 0.271 499 Q C -0.127 175.846 176.000 -0.045 0.000 1.026 499 Q CA 0.340 56.152 55.803 0.015 0.000 0.900 499 Q CB 0.574 29.308 28.738 -0.007 0.000 1.266 499 Q HN 0.558 nan 8.270 nan 0.000 0.430 500 D N 1.502 121.719 120.400 -0.304 0.000 2.458 500 D HA -0.074 4.566 4.640 0.001 0.000 0.243 500 D C 0.120 176.266 176.300 -0.255 0.000 1.146 500 D CA 0.266 53.866 54.000 -0.667 0.000 0.877 500 D CB 0.732 40.961 40.800 -0.951 0.000 1.176 500 D HN 0.190 nan 8.370 nan 0.000 0.461 501 Q N 3.274 122.974 119.800 -0.168 0.000 2.222 501 Q HA 0.108 4.448 4.340 0.001 0.000 0.206 501 Q C 1.316 177.285 176.000 -0.052 0.000 0.877 501 Q CA -0.058 55.725 55.803 -0.034 0.000 0.958 501 Q CB 0.272 29.042 28.738 0.054 0.000 1.075 501 Q HN 0.491 nan 8.270 nan 0.000 0.483 502 R N 0.468 120.899 120.500 -0.115 0.000 2.148 502 R HA -0.080 4.261 4.340 0.001 0.000 0.227 502 R C 1.877 178.138 176.300 -0.064 0.000 1.103 502 R CA 0.762 56.808 56.100 -0.090 0.000 0.983 502 R CB 0.270 30.501 30.300 -0.116 0.000 0.874 502 R HN 0.339 nan 8.270 nan 0.000 0.451 503 E N 0.427 120.591 120.200 -0.061 0.000 2.072 503 E HA -0.167 4.184 4.350 0.001 0.000 0.191 503 E C 1.794 178.383 176.600 -0.018 0.000 0.985 503 E CA 1.112 57.487 56.400 -0.042 0.000 0.801 503 E CB 0.046 29.720 29.700 -0.043 0.000 0.750 503 E HN 0.333 nan 8.360 nan 0.000 0.452 504 A N 1.343 124.165 122.820 0.003 0.000 1.898 504 A HA -0.214 4.106 4.320 0.001 0.000 0.216 504 A C 2.041 179.616 177.584 -0.015 0.000 1.181 504 A CA 1.561 53.610 52.037 0.020 0.000 0.620 504 A CB -0.562 18.475 19.000 0.060 0.000 0.819 504 A HN 0.392 nan 8.150 nan 0.000 0.442 505 E N 0.522 120.706 120.200 -0.026 0.000 2.160 505 E HA -0.189 4.162 4.350 0.001 0.000 0.195 505 E C 1.975 178.539 176.600 -0.060 0.000 0.991 505 E CA 1.500 57.871 56.400 -0.049 0.000 0.810 505 E CB -0.104 29.567 29.700 -0.047 0.000 0.742 505 E HN 0.730 nan 8.360 nan 0.000 0.466 506 S N -0.173 115.499 115.700 -0.048 0.000 2.561 506 S HA 0.012 4.482 4.470 0.001 0.000 0.225 506 S C 0.768 175.345 174.600 -0.039 0.000 0.977 506 S CA -0.160 58.012 58.200 -0.047 0.000 0.926 506 S CB -0.077 63.098 63.200 -0.042 0.000 0.769 506 S HN 0.092 nan 8.310 nan 0.000 0.533 507 R N 1.984 122.465 120.500 -0.031 0.000 2.404 507 R HA 0.334 4.674 4.340 0.001 0.000 0.291 507 R C -1.880 174.410 176.300 -0.017 0.000 1.025 507 R CA -2.043 54.047 56.100 -0.016 0.000 0.991 507 R CB 0.491 30.793 30.300 0.005 0.000 1.053 507 R HN 0.147 nan 8.270 nan 0.000 0.479 508 P HA -0.077 nan 4.420 nan 0.000 0.242 508 P C -0.311 177.038 177.300 0.082 0.000 1.197 508 P CA 0.866 63.983 63.100 0.028 0.000 0.765 508 P CB 0.246 31.964 31.700 0.029 0.000 0.936 509 D N -0.766 119.679 120.400 0.074 0.000 2.388 509 D HA 0.113 4.754 4.640 0.001 0.000 0.221 509 D C -0.105 176.160 176.300 -0.059 0.000 1.133 509 D CA -0.739 53.354 54.000 0.155 0.000 0.831 509 D CB -0.191 40.713 40.800 0.172 0.000 0.962 509 D HN -0.061 nan 8.370 nan 0.000 0.502 510 V N 0.550 120.349 119.914 -0.192 0.000 2.569 510 V HA 0.292 4.412 4.120 0.001 0.000 0.301 510 V C -0.545 175.368 176.094 -0.302 0.000 1.044 510 V CA -1.152 60.943 62.300 -0.341 0.000 0.874 510 V CB 2.288 34.023 31.823 -0.146 0.000 1.002 510 V HN 0.007 nan 8.190 nan 0.000 0.424 511 V N 4.866 124.542 119.914 -0.396 0.000 2.439 511 V HA 0.645 4.766 4.120 0.001 0.000 0.282 511 V C 0.146 176.202 176.094 -0.064 0.000 1.039 511 V CA 0.352 62.573 62.300 -0.133 0.000 0.913 511 V CB 2.017 33.877 31.823 0.061 0.000 0.983 511 V HN 1.030 nan 8.190 nan 0.000 0.460 512 T N 6.989 121.470 114.554 -0.122 0.000 2.807 512 T HA 0.639 4.990 4.350 0.001 0.000 0.279 512 T C -1.347 173.236 174.700 -0.195 0.000 0.993 512 T CA -0.078 61.974 62.100 -0.080 0.000 0.970 512 T CB 1.064 69.885 68.868 -0.079 0.000 0.950 512 T HN 0.537 nan 8.240 nan 0.000 0.441 513 Y N 1.543 121.873 120.300 0.050 0.000 2.499 513 Y HA 0.581 5.132 4.550 0.001 0.000 0.347 513 Y C 0.378 176.270 175.900 -0.013 0.000 0.987 513 Y CA -1.049 57.064 58.100 0.021 0.000 1.044 513 Y CB 1.890 40.331 38.460 -0.033 0.000 1.245 513 Y HN 0.722 nan 8.280 nan 0.000 0.461 514 E N -0.735 119.534 120.200 0.115 0.000 2.392 514 E HA 0.511 4.862 4.350 0.001 0.000 0.279 514 E C -1.241 175.364 176.600 0.008 0.000 0.964 514 E CA -1.193 55.231 56.400 0.041 0.000 0.777 514 E CB 1.785 31.503 29.700 0.030 0.000 1.249 514 E HN 0.520 nan 8.360 nan 0.000 0.449 515 T N -0.514 114.023 114.554 -0.028 0.000 2.770 515 T HA 0.289 4.639 4.350 0.001 0.000 0.281 515 T C 0.323 175.025 174.700 0.002 0.000 0.981 515 T CA -0.806 61.272 62.100 -0.036 0.000 0.955 515 T CB 0.806 69.632 68.868 -0.070 0.000 1.060 515 T HN 0.463 nan 8.240 nan 0.000 0.531 516 E N 0.067 120.275 120.200 0.014 0.000 2.342 516 E HA 0.286 4.636 4.350 0.001 0.000 0.257 516 E C -0.157 176.468 176.600 0.043 0.000 1.150 516 E CA -0.591 55.825 56.400 0.027 0.000 0.926 516 E CB 0.960 30.677 29.700 0.029 0.000 1.074 516 E HN 0.464 nan 8.360 nan 0.000 0.449 517 V N 2.569 122.511 119.914 0.046 0.000 2.458 517 V HA -0.079 4.041 4.120 0.001 0.000 0.287 517 V C 0.637 176.777 176.094 0.076 0.000 1.009 517 V CA 0.281 62.619 62.300 0.063 0.000 1.091 517 V CB -0.566 31.288 31.823 0.050 0.000 0.960 517 V HN 0.376 nan 8.190 nan 0.000 0.476 518 L N 5.434 126.720 121.223 0.104 0.000 2.540 518 L HA 0.070 4.411 4.340 0.001 0.000 0.276 518 L C 1.160 178.086 176.870 0.093 0.000 1.212 518 L CA 0.155 55.060 54.840 0.109 0.000 0.893 518 L CB 0.063 42.208 42.059 0.142 0.000 1.138 518 L HN 0.610 nan 8.230 nan 0.000 0.491 519 D N 0.663 121.108 120.400 0.076 0.000 2.301 519 D HA 0.048 4.689 4.640 0.001 0.000 0.206 519 D C 0.396 176.729 176.300 0.055 0.000 0.979 519 D CA 0.913 54.949 54.000 0.060 0.000 0.874 519 D CB 0.585 41.414 40.800 0.048 0.000 0.968 519 D HN 0.469 nan 8.370 nan 0.000 0.510 520 E N 0.868 121.104 120.200 0.059 0.000 2.293 520 E HA 0.329 4.680 4.350 0.001 0.000 0.270 520 E C -2.442 174.194 176.600 0.060 0.000 0.879 520 E CA -1.929 54.499 56.400 0.046 0.000 0.756 520 E CB 2.568 32.286 29.700 0.029 0.000 1.208 520 E HN -0.036 nan 8.360 nan 0.000 0.428 521 P HA 0.157 nan 4.420 nan 0.000 0.272 521 P C -0.429 176.911 177.300 0.067 0.000 1.223 521 P CA -0.351 62.780 63.100 0.053 0.000 0.784 521 P CB 0.758 32.463 31.700 0.007 0.000 0.923 522 V N 4.041 124.036 119.914 0.135 0.000 2.376 522 V HA 0.329 4.449 4.120 0.001 0.000 0.287 522 V C 0.619 176.835 176.094 0.204 0.000 1.015 522 V CA -0.657 61.740 62.300 0.162 0.000 0.834 522 V CB 1.108 33.069 31.823 0.230 0.000 1.001 522 V HN 0.459 nan 8.190 nan 0.000 0.428 523 R N 3.456 124.014 120.500 0.097 0.000 2.297 523 R HA 0.719 5.060 4.340 0.001 0.000 0.308 523 R C -0.748 175.611 176.300 0.100 0.000 1.029 523 R CA -0.555 55.585 56.100 0.066 0.000 0.929 523 R CB 1.859 32.170 30.300 0.019 0.000 1.046 523 R HN 0.612 nan 8.270 nan 0.000 0.461 524 V N -1.086 118.896 119.914 0.114 0.000 2.588 524 V HA 0.641 4.761 4.120 0.001 0.000 0.304 524 V C -0.388 175.754 176.094 0.080 0.000 1.042 524 V CA -0.656 61.717 62.300 0.122 0.000 0.877 524 V CB 1.970 33.931 31.823 0.230 0.000 0.996 524 V HN 0.698 nan 8.190 nan 0.000 0.425 525 S N 2.708 118.438 115.700 0.050 0.000 2.571 525 S HA 0.869 5.339 4.470 0.001 0.000 0.238 525 S C -0.023 174.583 174.600 0.009 0.000 1.153 525 S CA 0.558 58.816 58.200 0.097 0.000 1.141 525 S CB 0.425 63.659 63.200 0.056 0.000 1.133 525 S HN 2.194 nan 8.310 nan 0.000 0.464 526 G N 1.860 110.709 108.800 0.082 0.000 2.373 526 G HA2 0.224 4.185 3.960 0.001 0.000 0.250 526 G HA3 0.224 4.185 3.960 0.001 0.000 0.250 526 G C -1.822 173.035 174.900 -0.072 0.000 1.304 526 G CA -0.203 44.767 45.100 -0.217 0.000 0.948 526 G HN 0.826 nan 8.290 nan 0.000 0.474 527 V N 2.802 122.618 119.914 -0.164 0.000 2.328 527 V HA 0.507 4.627 4.120 0.001 0.000 0.278 527 V C -2.053 174.000 176.094 -0.069 0.000 1.021 527 V CA -1.126 61.123 62.300 -0.085 0.000 0.838 527 V CB 1.351 33.105 31.823 -0.115 0.000 0.999 527 V HN 0.521 nan 8.190 nan 0.000 0.447 528 P HA 0.295 nan 4.420 nan 0.000 0.275 528 P C -0.795 176.453 177.300 -0.087 0.000 1.227 528 P CA -0.137 62.937 63.100 -0.043 0.000 0.781 528 P CB 1.025 32.724 31.700 -0.002 0.000 0.906 529 V N 2.414 122.235 119.914 -0.154 0.000 2.448 529 V HA 0.565 4.685 4.120 0.001 0.000 0.295 529 V C 0.262 176.116 176.094 -0.402 0.000 1.025 529 V CA -0.975 61.153 62.300 -0.286 0.000 0.859 529 V CB 1.545 33.181 31.823 -0.311 0.000 0.988 529 V HN 0.633 nan 8.190 nan 0.000 0.431 530 A N 2.828 125.274 122.820 -0.624 0.000 2.376 530 A HA 0.449 4.770 4.320 0.001 0.000 0.298 530 A C -0.065 177.114 177.584 -0.675 0.000 1.271 530 A CA -0.126 51.489 52.037 -0.703 0.000 0.926 530 A CB -0.195 18.132 19.000 -1.123 0.000 1.141 530 A HN 0.851 nan 8.150 nan 0.000 0.539 531 D N 2.798 122.982 120.400 -0.361 0.000 2.518 531 D HA 0.385 5.026 4.640 0.001 0.000 0.230 531 D C -0.747 175.489 176.300 -0.107 0.000 1.138 531 D CA -0.035 53.879 54.000 -0.143 0.000 0.964 531 D CB 0.155 40.986 40.800 0.052 0.000 1.011 531 D HN 0.380 nan 8.370 nan 0.000 0.517 532 L N 3.256 124.369 121.223 -0.184 0.000 2.289 532 L HA 0.523 4.864 4.340 0.001 0.000 0.285 532 L C -1.309 175.459 176.870 -0.169 0.000 1.049 532 L CA -0.300 54.464 54.840 -0.128 0.000 0.804 532 L CB 0.580 42.541 42.059 -0.163 0.000 1.195 532 L HN 0.136 nan 8.230 nan 0.000 0.428 533 F N 5.403 125.368 119.950 0.025 0.000 2.359 533 F HA 0.683 5.210 4.527 0.000 0.000 0.370 533 F C 0.345 176.123 175.800 -0.036 0.000 1.077 533 F CA -0.258 57.751 58.000 0.016 0.000 1.136 533 F CB 1.088 40.075 39.000 -0.023 0.000 1.387 533 F HN 0.617 nan 8.300 nan 0.000 0.468 534 A N 1.891 124.712 122.820 0.002 0.000 2.380 534 A HA 0.966 5.286 4.320 0.001 0.000 0.315 534 A C -1.034 176.539 177.584 -0.019 0.000 1.101 534 A CA -0.596 51.304 52.037 -0.229 0.000 0.771 534 A CB 1.252 19.576 19.000 -1.127 0.000 1.287 534 A HN 0.678 nan 8.150 nan 0.000 0.436 535 A N 0.261 123.122 122.820 0.068 0.000 2.413 535 A HA 0.898 5.219 4.320 0.001 0.000 0.307 535 A C -0.266 177.504 177.584 0.309 0.000 1.087 535 A CA -0.274 51.879 52.037 0.194 0.000 0.750 535 A CB 1.674 20.754 19.000 0.133 0.000 1.296 535 A HN 1.406 nan 8.150 nan 0.000 0.423 536 T N -0.739 113.991 114.554 0.293 0.000 2.903 536 T HA 0.477 4.827 4.350 0.001 0.000 0.299 536 T C 0.960 175.739 174.700 0.132 0.000 1.093 536 T CA 0.272 62.512 62.100 0.233 0.000 1.002 536 T CB 1.316 70.345 68.868 0.269 0.000 1.127 536 T HN 1.253 nan 8.240 nan 0.000 0.488 537 S N 1.761 117.509 115.700 0.081 0.000 2.528 537 S HA 0.301 4.771 4.470 0.001 0.000 0.219 537 S C 1.189 175.821 174.600 0.054 0.000 0.985 537 S CA 0.117 58.352 58.200 0.059 0.000 0.914 537 S CB -0.127 63.098 63.200 0.042 0.000 0.776 537 S HN 0.893 nan 8.310 nan 0.000 0.526 538 G N 1.315 110.148 108.800 0.056 0.000 2.531 538 G HA2 0.430 4.390 3.960 0.001 0.000 0.281 538 G HA3 0.430 4.390 3.960 0.001 0.000 0.281 538 G C 0.526 175.467 174.900 0.068 0.000 1.382 538 G CA 0.151 45.281 45.100 0.050 0.000 1.045 538 G HN 0.361 nan 8.290 nan 0.000 0.533 539 T N -2.822 111.775 114.554 0.072 0.000 3.085 539 T HA 0.319 4.669 4.350 0.001 0.000 0.264 539 T C -0.166 174.609 174.700 0.124 0.000 1.019 539 T CA 0.015 62.169 62.100 0.090 0.000 0.910 539 T CB 0.391 69.317 68.868 0.097 0.000 1.059 539 T HN 0.398 nan 8.240 nan 0.000 0.542 540 D N -0.434 120.030 120.400 0.107 0.000 2.653 540 D HA 0.650 5.291 4.640 0.001 0.000 0.258 540 D C -1.600 174.705 176.300 0.009 0.000 1.252 540 D CA -0.202 53.861 54.000 0.104 0.000 0.777 540 D CB 2.231 43.100 40.800 0.115 0.000 1.339 540 D HN 0.014 nan 8.370 nan 0.000 0.422 541 S N 0.217 115.877 115.700 -0.066 0.000 2.614 541 S HA 0.359 4.829 4.470 0.001 0.000 0.280 541 S C -2.121 172.166 174.600 -0.523 0.000 1.111 541 S CA -0.711 57.279 58.200 -0.351 0.000 0.847 541 S CB 1.340 64.203 63.200 -0.561 0.000 1.079 541 S HN 0.393 nan 8.310 nan 0.000 0.452 542 D N 0.621 120.629 120.400 -0.654 0.000 2.198 542 D HA 0.608 5.248 4.640 0.001 0.000 0.247 542 D C -1.362 174.482 176.300 -0.760 0.000 1.010 542 D CA 0.024 53.732 54.000 -0.487 0.000 0.880 542 D CB 0.893 41.560 40.800 -0.221 0.000 1.209 542 D HN 0.425 nan 8.370 nan 0.000 0.451 543 W N 1.596 122.864 121.300 -0.054 0.000 2.463 543 W HA 0.465 5.125 4.660 -0.000 0.000 0.316 543 W C -0.967 175.525 176.519 -0.044 0.000 1.004 543 W CA -0.909 56.402 57.345 -0.058 0.000 1.309 543 W CB 1.213 30.577 29.460 -0.159 0.000 1.288 543 W HN -0.057 nan 8.180 nan 0.000 0.423 544 V N 4.590 124.554 119.914 0.084 0.000 2.370 544 V HA 0.478 4.598 4.120 0.001 0.000 0.279 544 V C -0.200 175.883 176.094 -0.017 0.000 1.029 544 V CA -0.908 61.293 62.300 -0.165 0.000 0.870 544 V CB 1.196 32.629 31.823 -0.651 0.000 0.984 544 V HN 0.274 nan 8.190 nan 0.000 0.451 545 V N 5.907 125.874 119.914 0.088 0.000 2.487 545 V HA 0.502 4.622 4.120 0.001 0.000 0.298 545 V C -0.232 175.927 176.094 0.109 0.000 1.028 545 V CA -0.909 61.459 62.300 0.113 0.000 0.860 545 V CB 1.882 33.791 31.823 0.143 0.000 0.991 545 V HN 0.878 nan 8.190 nan 0.000 0.427 546 K N 4.785 125.240 120.400 0.091 0.000 2.323 546 K HA 0.653 4.974 4.320 0.001 0.000 0.259 546 K C -1.217 175.459 176.600 0.127 0.000 0.947 546 K CA -0.858 55.515 56.287 0.144 0.000 0.819 546 K CB 2.675 35.273 32.500 0.164 0.000 1.109 546 K HN 0.448 nan 8.250 nan 0.000 0.429 547 L N 4.637 125.947 121.223 0.145 0.000 2.257 547 L HA 0.470 4.811 4.340 0.001 0.000 0.290 547 L C -1.188 175.797 176.870 0.191 0.000 1.044 547 L CA -0.203 54.722 54.840 0.142 0.000 0.810 547 L CB 0.446 42.591 42.059 0.144 0.000 1.193 547 L HN 0.583 nan 8.230 nan 0.000 0.425 548 I N 3.854 124.543 120.570 0.198 0.000 2.603 548 I HA 0.353 4.524 4.170 0.001 0.000 0.300 548 I C -0.921 175.410 176.117 0.356 0.000 1.017 548 I CA -0.627 60.813 61.300 0.234 0.000 1.098 548 I CB 2.048 40.152 38.000 0.174 0.000 1.279 548 I HN 0.523 nan 8.210 nan 0.000 0.437 549 D N 5.377 126.006 120.400 0.382 0.000 2.454 549 D HA 0.281 4.921 4.640 0.001 0.000 0.225 549 D C -0.873 175.667 176.300 0.399 0.000 1.081 549 D CA -0.319 54.004 54.000 0.538 0.000 0.864 549 D CB 1.148 42.174 40.800 0.376 0.000 1.040 549 D HN 0.091 nan 8.370 nan 0.000 0.517 550 V N 5.071 125.188 119.914 0.339 0.000 2.439 550 V HA 0.104 4.225 4.120 0.001 0.000 0.271 550 V C 0.823 177.012 176.094 0.159 0.000 1.040 550 V CA -0.553 61.876 62.300 0.215 0.000 1.002 550 V CB 0.716 32.622 31.823 0.137 0.000 1.000 550 V HN 0.507 nan 8.190 nan 0.000 0.477 551 Q N 5.544 125.391 119.800 0.079 0.000 2.492 551 Q HA 0.250 4.591 4.340 0.001 0.000 0.238 551 Q C -2.199 173.648 176.000 -0.256 0.000 1.045 551 Q CA -1.900 53.786 55.803 -0.194 0.000 0.934 551 Q CB -0.108 28.606 28.738 -0.040 0.000 1.276 551 Q HN 0.438 nan 8.270 nan 0.000 0.521 552 P HA -0.076 nan 4.420 nan 0.000 0.266 552 P C 0.039 177.291 177.300 -0.081 0.000 1.193 552 P CA 0.505 63.490 63.100 -0.192 0.000 0.770 552 P CB 0.410 32.018 31.700 -0.153 0.000 0.836 553 A N 3.267 126.064 122.820 -0.039 0.000 1.997 553 A HA -0.150 4.170 4.320 0.001 0.000 0.221 553 A C 0.920 178.495 177.584 -0.014 0.000 1.172 553 A CA 1.831 53.858 52.037 -0.017 0.000 0.645 553 A CB -0.601 18.394 19.000 -0.008 0.000 0.813 553 A HN 0.489 nan 8.150 nan 0.000 0.454 554 M N -0.407 119.182 119.600 -0.019 0.000 2.326 554 M HA 0.302 4.783 4.480 0.001 0.000 0.292 554 M C -1.098 175.191 176.300 -0.018 0.000 1.081 554 M CA -0.096 55.196 55.300 -0.013 0.000 0.919 554 M CB 1.869 34.465 32.600 -0.007 0.000 1.634 554 M HN 0.233 nan 8.290 nan 0.000 0.451 555 T N -0.668 113.876 114.554 -0.016 0.000 3.150 555 T HA 0.415 4.766 4.350 0.001 0.000 0.383 555 T C -2.014 172.679 174.700 -0.012 0.000 1.313 555 T CA -1.350 60.740 62.100 -0.018 0.000 1.235 555 T CB 0.711 69.563 68.868 -0.027 0.000 1.088 555 T HN 0.382 nan 8.240 nan 0.000 0.556 556 P HA -0.072 nan 4.420 nan 0.000 0.221 556 P C 0.502 177.796 177.300 -0.009 0.000 1.145 556 P CA 0.987 64.083 63.100 -0.007 0.000 0.795 556 P CB 0.273 31.971 31.700 -0.003 0.000 0.775 557 D N -0.772 119.622 120.400 -0.010 0.000 2.317 557 D HA -0.029 4.611 4.640 0.001 0.000 0.211 557 D C 0.348 176.636 176.300 -0.020 0.000 0.966 557 D CA 1.151 55.144 54.000 -0.012 0.000 0.876 557 D CB -0.147 40.647 40.800 -0.010 0.000 0.927 557 D HN 0.182 nan 8.370 nan 0.000 0.519 558 D N -1.310 119.076 120.400 -0.024 0.000 2.668 558 D HA 0.144 4.785 4.640 0.001 0.000 0.247 558 D C -2.075 174.209 176.300 -0.027 0.000 1.268 558 D CA -1.686 52.294 54.000 -0.034 0.000 0.842 558 D CB 1.231 41.999 40.800 -0.054 0.000 1.399 558 D HN -0.238 nan 8.370 nan 0.000 0.530 559 P HA -0.221 nan 4.420 nan 0.000 0.218 559 P C 1.267 178.568 177.300 0.001 0.000 1.152 559 P CA 1.486 64.581 63.100 -0.008 0.000 0.857 559 P CB 0.110 31.806 31.700 -0.007 0.000 0.787 560 K N -1.337 119.064 120.400 0.001 0.000 2.362 560 K HA -0.050 4.270 4.320 0.001 0.000 0.200 560 K C 1.370 178.011 176.600 0.069 0.000 1.046 560 K CA 1.164 57.468 56.287 0.028 0.000 0.952 560 K CB -0.510 32.003 32.500 0.021 0.000 0.753 560 K HN 0.058 nan 8.250 nan 0.000 0.466 561 M N 1.589 121.201 119.600 0.020 0.000 2.561 561 M HA 0.117 4.597 4.480 0.001 0.000 0.238 561 M C 0.641 176.982 176.300 0.068 0.000 1.131 561 M CA 0.070 55.380 55.300 0.017 0.000 1.046 561 M CB -0.282 32.255 32.600 -0.104 0.000 1.532 561 M HN 0.210 nan 8.290 nan 0.000 0.497 562 G N 0.229 109.057 108.800 0.046 0.000 2.307 562 G HA2 0.340 4.300 3.960 0.001 0.000 0.271 562 G HA3 0.340 4.300 3.960 0.001 0.000 0.271 562 G C 1.119 176.047 174.900 0.046 0.000 1.191 562 G CA 0.431 45.547 45.100 0.027 0.000 1.024 562 G HN 0.691 nan 8.290 nan 0.000 0.441 563 G N 1.870 110.692 108.800 0.037 0.000 2.184 563 G HA2 -0.324 3.636 3.960 0.001 0.000 0.264 563 G HA3 -0.324 3.636 3.960 0.001 0.000 0.264 563 G C 0.528 175.475 174.900 0.079 0.000 0.975 563 G CA 0.549 45.672 45.100 0.038 0.000 0.642 563 G HN 1.115 nan 8.290 nan 0.000 0.536 564 Y N 2.075 122.364 120.300 -0.018 0.000 2.881 564 Y HA 0.299 4.849 4.550 0.001 0.000 0.335 564 Y C 0.840 176.752 175.900 0.019 0.000 1.263 564 Y CA 0.881 58.977 58.100 -0.007 0.000 1.572 564 Y CB 0.400 38.850 38.460 -0.017 0.000 1.237 564 Y HN 0.352 nan 8.280 nan 0.000 0.568 565 E N 6.708 126.884 120.200 -0.041 0.000 1.998 565 E HA 0.155 4.506 4.350 0.001 0.000 0.257 565 E C -1.198 175.485 176.600 0.138 0.000 1.038 565 E CA -0.602 55.835 56.400 0.062 0.000 0.869 565 E CB 0.265 29.959 29.700 -0.009 0.000 1.135 565 E HN 0.424 nan 8.360 nan 0.000 0.430 566 L N 4.854 126.289 121.223 0.353 0.000 2.315 566 L HA 0.313 4.654 4.340 0.001 0.000 0.283 566 L C -2.534 174.474 176.870 0.229 0.000 1.089 566 L CA -1.946 53.099 54.840 0.341 0.000 0.833 566 L CB 0.376 42.610 42.059 0.292 0.000 1.170 566 L HN 0.134 nan 8.230 nan 0.000 0.442 567 P HA 0.116 nan 4.420 nan 0.000 0.287 567 P C 0.541 178.009 177.300 0.280 0.000 1.294 567 P CA -0.341 62.887 63.100 0.213 0.000 0.776 567 P CB 1.246 33.066 31.700 0.199 0.000 0.889 568 V N 0.751 120.771 119.914 0.177 0.000 3.354 568 V HA 0.209 4.329 4.120 0.001 0.000 0.258 568 V C 0.657 176.759 176.094 0.013 0.000 1.159 568 V CA 0.605 62.942 62.300 0.061 0.000 1.125 568 V CB -0.372 31.300 31.823 -0.251 0.000 0.774 568 V HN 0.605 nan 8.190 nan 0.000 0.464 569 S N 1.048 116.811 115.700 0.106 0.000 2.582 569 S HA 0.729 5.199 4.470 0.001 0.000 0.287 569 S C -1.043 173.673 174.600 0.194 0.000 1.146 569 S CA -0.639 57.626 58.200 0.108 0.000 0.941 569 S CB 1.307 64.547 63.200 0.068 0.000 1.115 569 S HN 0.684 nan 8.310 nan 0.000 0.458 570 M N 2.646 122.406 119.600 0.266 0.000 2.471 570 M HA 0.754 5.235 4.480 0.001 0.000 0.284 570 M C -1.971 174.660 176.300 0.551 0.000 1.203 570 M CA -0.675 54.860 55.300 0.392 0.000 0.915 570 M CB 2.136 35.024 32.600 0.480 0.000 1.734 570 M HN 0.506 nan 8.290 nan 0.000 0.485 571 D N 0.946 121.687 120.400 0.568 0.000 2.639 571 D HA 0.673 5.313 4.640 0.001 0.000 0.271 571 D C -1.970 174.616 176.300 0.477 0.000 1.254 571 D CA -0.373 54.032 54.000 0.675 0.000 0.810 571 D CB 3.225 44.440 40.800 0.693 0.000 1.351 571 D HN 0.858 nan 8.370 nan 0.000 0.427 572 I N 1.086 121.907 120.570 0.418 0.000 2.569 572 I HA 0.596 4.767 4.170 0.001 0.000 0.296 572 I C -1.568 174.600 176.117 0.084 0.000 1.028 572 I CA -0.895 60.469 61.300 0.106 0.000 1.082 572 I CB 1.555 39.469 38.000 -0.144 0.000 1.264 572 I HN 0.258 nan 8.210 nan 0.000 0.429 573 F N 6.928 126.725 119.950 -0.255 0.000 2.507 573 F HA 0.510 5.037 4.527 0.000 0.000 0.328 573 F C -0.314 175.436 175.800 -0.084 0.000 1.136 573 F CA -0.740 57.046 58.000 -0.356 0.000 0.930 573 F CB 1.175 39.495 39.000 -1.133 0.000 1.166 573 F HN 0.399 nan 8.300 nan 0.000 0.436 574 R N 3.842 124.157 120.500 -0.309 0.000 2.248 574 R HA 0.276 4.617 4.340 0.001 0.000 0.337 574 R C 1.409 177.732 176.300 0.038 0.000 1.085 574 R CA 0.632 56.687 56.100 -0.075 0.000 0.934 574 R CB 0.623 30.962 30.300 0.066 0.000 1.034 574 R HN 0.987 nan 8.270 nan 0.000 0.465 575 G N 4.861 113.815 108.800 0.257 0.000 2.507 575 G HA2 -0.367 3.593 3.960 0.001 0.000 0.221 575 G HA3 -0.367 3.593 3.960 0.001 0.000 0.221 575 G C 1.263 176.383 174.900 0.367 0.000 1.119 575 G CA 1.017 46.453 45.100 0.561 0.000 0.751 575 G HN 0.770 nan 8.290 nan 0.000 0.574 576 R N -0.766 119.774 120.500 0.067 0.000 2.193 576 R HA -0.052 4.288 4.340 0.001 0.000 0.229 576 R C 1.127 177.345 176.300 -0.137 0.000 1.110 576 R CA 1.128 57.182 56.100 -0.078 0.000 0.988 576 R CB -0.521 29.682 30.300 -0.161 0.000 0.871 576 R HN 0.433 nan 8.270 nan 0.000 0.458 577 Y N 0.950 121.363 120.300 0.188 0.000 2.532 577 Y HA 0.299 4.850 4.550 0.002 0.000 0.283 577 Y C 2.146 178.096 175.900 0.083 0.000 1.181 577 Y CA -0.824 57.355 58.100 0.132 0.000 1.256 577 Y CB -0.216 38.392 38.460 0.248 0.000 1.112 577 Y HN 0.011 nan 8.280 nan 0.000 0.521 578 R N 0.983 121.685 120.500 0.338 0.000 2.096 578 R HA -0.219 4.122 4.340 0.001 0.000 0.240 578 R C 1.618 177.907 176.300 -0.019 0.000 1.139 578 R CA 2.044 58.288 56.100 0.240 0.000 0.952 578 R CB 0.134 30.460 30.300 0.043 0.000 0.854 578 R HN 0.281 nan 8.270 nan 0.000 0.436 579 K N -1.001 119.379 120.400 -0.034 0.000 2.067 579 K HA -0.011 4.309 4.320 0.001 0.000 0.203 579 K C 0.158 176.717 176.600 -0.068 0.000 1.048 579 K CA 0.839 57.087 56.287 -0.066 0.000 0.954 579 K CB 0.227 32.699 32.500 -0.047 0.000 0.737 579 K HN 0.070 nan 8.250 nan 0.000 0.444 580 D N -1.608 118.780 120.400 -0.020 0.000 2.879 580 D HA 0.122 4.762 4.640 0.001 0.000 0.236 580 D C -0.229 176.150 176.300 0.132 0.000 1.171 580 D CA -0.506 53.508 54.000 0.023 0.000 0.868 580 D CB 1.126 41.974 40.800 0.080 0.000 1.598 580 D HN -0.190 nan 8.370 nan 0.000 0.497 581 F N 1.698 121.785 119.950 0.227 0.000 2.367 581 F HA 0.121 4.649 4.527 0.002 0.000 0.298 581 F C 2.258 178.070 175.800 0.019 0.000 1.094 581 F CA 0.802 58.885 58.000 0.138 0.000 1.409 581 F CB -0.130 38.864 39.000 -0.010 0.000 1.064 581 F HN 0.496 nan 8.300 nan 0.000 0.528 582 A N -1.135 121.832 122.820 0.246 0.000 2.095 582 A HA 0.089 4.409 4.320 0.001 0.000 0.212 582 A C 0.988 178.682 177.584 0.183 0.000 1.162 582 A CA 0.342 52.459 52.037 0.134 0.000 0.753 582 A CB -0.008 19.039 19.000 0.077 0.000 0.840 582 A HN 0.013 nan 8.150 nan 0.000 0.468 583 K N 1.694 122.222 120.400 0.214 0.000 2.540 583 K HA 0.295 4.616 4.320 0.001 0.000 0.218 583 K C -3.064 173.661 176.600 0.208 0.000 1.017 583 K CA -1.823 54.574 56.287 0.183 0.000 1.029 583 K CB 1.636 34.202 32.500 0.110 0.000 1.348 583 K HN 0.205 nan 8.250 nan 0.000 0.508 584 P HA 0.091 nan 4.420 nan 0.000 0.269 584 P C -0.599 176.757 177.300 0.094 0.000 1.209 584 P CA 0.150 63.353 63.100 0.172 0.000 0.776 584 P CB 1.136 32.944 31.700 0.181 0.000 0.876 585 E N 0.248 120.390 120.200 -0.096 0.000 2.356 585 E HA 0.544 4.895 4.350 0.001 0.000 0.275 585 E C -0.881 175.296 176.600 -0.705 0.000 0.904 585 E CA -1.107 55.050 56.400 -0.406 0.000 0.757 585 E CB 2.402 31.979 29.700 -0.204 0.000 1.232 585 E HN 0.487 nan 8.360 nan 0.000 0.442 586 A N 3.067 125.208 122.820 -1.130 0.000 2.445 586 A HA 0.341 4.662 4.320 0.001 0.000 0.242 586 A C -0.228 177.190 177.584 -0.277 0.000 1.075 586 A CA -0.048 51.513 52.037 -0.794 0.000 0.777 586 A CB 0.152 18.762 19.000 -0.649 0.000 1.013 586 A HN 0.526 nan 8.150 nan 0.000 0.493 587 L N 1.202 122.372 121.223 -0.090 0.000 2.399 587 L HA 0.291 4.631 4.340 0.001 0.000 0.266 587 L C 0.686 177.563 176.870 0.011 0.000 1.114 587 L CA -0.349 54.499 54.840 0.014 0.000 0.804 587 L CB 0.843 42.985 42.059 0.140 0.000 1.146 587 L HN 0.785 nan 8.230 nan 0.000 0.451 588 Q N 2.686 122.498 119.800 0.020 0.000 2.293 588 Q HA 0.216 4.556 4.340 0.001 0.000 0.263 588 Q C -2.239 173.791 176.000 0.049 0.000 1.002 588 Q CA -1.627 54.187 55.803 0.017 0.000 0.910 588 Q CB 1.040 29.782 28.738 0.007 0.000 1.185 588 Q HN 0.257 nan 8.270 nan 0.000 0.401 589 P HA -0.091 nan 4.420 nan 0.000 0.268 589 P C -0.826 176.507 177.300 0.055 0.000 1.204 589 P CA 0.342 63.476 63.100 0.056 0.000 0.768 589 P CB 0.527 32.252 31.700 0.042 0.000 0.842 590 D N -1.077 119.365 120.400 0.070 0.000 3.077 590 D HA -0.211 4.429 4.640 0.001 0.000 0.217 590 D C 0.057 176.392 176.300 0.058 0.000 1.162 590 D CA 1.382 55.420 54.000 0.064 0.000 0.943 590 D CB -1.260 39.568 40.800 0.046 0.000 1.122 590 D HN 0.527 nan 8.370 nan 0.000 0.413 591 A N 0.473 123.331 122.820 0.063 0.000 2.305 591 A HA 0.526 4.846 4.320 0.001 0.000 0.322 591 A C 0.476 178.099 177.584 0.064 0.000 1.187 591 A CA -0.182 51.882 52.037 0.045 0.000 0.825 591 A CB 1.019 20.036 19.000 0.029 0.000 1.164 591 A HN -0.013 nan 8.150 nan 0.000 0.498 592 T N 3.672 118.249 114.554 0.038 0.000 2.752 592 T HA 0.430 4.780 4.350 0.001 0.000 0.295 592 T C -0.019 174.721 174.700 0.066 0.000 0.923 592 T CA 0.524 62.659 62.100 0.058 0.000 1.112 592 T CB -0.522 68.339 68.868 -0.013 0.000 0.884 592 T HN 0.416 nan 8.240 nan 0.000 0.525 593 L N 2.531 123.795 121.223 0.067 0.000 2.330 593 L HA 0.449 4.789 4.340 0.001 0.000 0.271 593 L C 0.502 177.272 176.870 -0.165 0.000 1.013 593 L CA -1.087 53.711 54.840 -0.071 0.000 0.816 593 L CB 1.474 43.416 42.059 -0.195 0.000 1.287 593 L HN 0.637 nan 8.230 nan 0.000 0.435 594 H N 1.327 120.140 119.070 -0.428 0.000 2.652 594 H HA 0.313 4.869 4.556 0.001 0.000 0.298 594 H C -1.497 173.428 175.328 -0.671 0.000 1.076 594 H CA -0.557 55.110 56.048 -0.636 0.000 1.360 594 H CB 0.518 29.984 29.762 -0.493 0.000 1.421 594 H HN 0.396 nan 8.280 nan 0.000 0.464 595 Y N 3.296 123.371 120.300 -0.376 0.000 2.352 595 Y HA 0.184 4.734 4.550 0.001 0.000 0.339 595 Y C -0.294 175.350 175.900 -0.426 0.000 0.992 595 Y CA -0.711 57.145 58.100 -0.407 0.000 1.100 595 Y CB 1.311 39.573 38.460 -0.330 0.000 1.192 595 Y HN 0.683 nan 8.280 nan 0.000 0.458 596 H N 4.668 123.498 119.070 -0.400 0.000 3.078 596 H HA 0.500 5.057 4.556 0.001 0.000 0.319 596 H C -1.719 173.509 175.328 -0.165 0.000 0.995 596 H CA -1.037 54.791 56.048 -0.365 0.000 1.417 596 H CB 0.385 29.883 29.762 -0.441 0.000 1.598 596 H HN 0.481 nan 8.280 nan 0.000 0.515 597 F N 1.235 120.917 119.950 -0.447 0.000 2.619 597 F HA 0.526 5.054 4.527 0.001 0.000 0.308 597 F C -0.550 175.189 175.800 -0.103 0.000 1.097 597 F CA -1.181 56.659 58.000 -0.265 0.000 0.953 597 F CB 0.719 39.407 39.000 -0.522 0.000 1.287 597 F HN 0.342 nan 8.300 nan 0.000 0.446 598 T N 1.278 115.991 114.554 0.267 0.000 2.913 598 T HA 0.663 5.014 4.350 0.001 0.000 0.297 598 T C -0.290 174.638 174.700 0.380 0.000 1.029 598 T CA -0.535 61.692 62.100 0.212 0.000 1.104 598 T CB 1.037 70.049 68.868 0.241 0.000 0.964 598 T HN 0.720 nan 8.240 nan 0.000 0.532 599 L N 1.861 123.205 121.223 0.202 0.000 2.304 599 L HA 0.544 4.885 4.340 0.001 0.000 0.268 599 L C -2.302 174.676 176.870 0.179 0.000 1.010 599 L CA -3.189 51.803 54.840 0.253 0.000 0.813 599 L CB 1.559 43.706 42.059 0.148 0.000 1.315 599 L HN 0.422 nan 8.230 nan 0.000 0.445 600 P HA 0.025 nan 4.420 nan 0.000 0.265 600 P C -0.683 176.630 177.300 0.023 0.000 1.193 600 P CA -0.139 63.016 63.100 0.091 0.000 0.765 600 P CB 0.482 32.233 31.700 0.086 0.000 0.823 601 A N 3.135 125.953 122.820 -0.003 0.000 2.547 601 A HA 0.381 4.702 4.320 0.001 0.000 0.233 601 A C 0.319 177.874 177.584 -0.048 0.000 1.067 601 A CA 0.243 52.292 52.037 0.019 0.000 0.763 601 A CB -0.371 18.691 19.000 0.104 0.000 1.007 601 A HN 0.485 nan 8.150 nan 0.000 0.506 602 V N -0.871 119.047 119.914 0.008 0.000 3.078 602 V HA 0.849 4.969 4.120 0.001 0.000 0.311 602 V C -0.609 175.494 176.094 0.015 0.000 1.138 602 V CA -0.840 61.427 62.300 -0.055 0.000 1.007 602 V CB 2.240 34.049 31.823 -0.023 0.000 1.045 602 V HN 0.889 nan 8.190 nan 0.000 0.432 603 N N 0.723 119.390 118.700 -0.054 0.000 2.732 603 N HA 0.406 5.147 4.740 0.001 0.000 0.235 603 N C -1.265 174.220 175.510 -0.043 0.000 1.466 603 N CA -0.160 52.880 53.050 -0.017 0.000 0.751 603 N CB 0.400 38.842 38.487 -0.075 0.000 1.317 603 N HN 1.110 nan 8.380 nan 0.000 0.525 604 H N -0.443 118.527 119.070 -0.167 0.000 2.834 604 H HA 0.773 5.329 4.556 0.001 0.000 0.369 604 H C -1.290 173.887 175.328 -0.252 0.000 1.174 604 H CA -0.692 55.197 56.048 -0.266 0.000 1.165 604 H CB 1.697 31.212 29.762 -0.412 0.000 1.820 604 H HN -0.049 nan 8.280 nan 0.000 0.558 605 V N 3.606 122.999 119.914 -0.868 0.000 2.482 605 V HA 0.220 4.341 4.120 0.001 0.000 0.295 605 V C -0.953 174.719 176.094 -0.703 0.000 1.026 605 V CA -0.626 61.361 62.300 -0.521 0.000 0.856 605 V CB 0.986 32.600 31.823 -0.348 0.000 1.001 605 V HN 0.601 nan 8.190 nan 0.000 0.424 606 F N 4.143 123.979 119.950 -0.191 0.000 2.423 606 F HA 0.597 5.125 4.527 0.001 0.000 0.356 606 F C 1.118 176.801 175.800 -0.196 0.000 1.170 606 F CA -0.050 57.881 58.000 -0.115 0.000 1.163 606 F CB 0.624 39.679 39.000 0.092 0.000 1.318 606 F HN 0.605 nan 8.300 nan 0.000 0.569 607 A N 4.152 126.760 122.820 -0.353 0.000 2.325 607 A HA 0.233 4.553 4.320 0.001 0.000 0.260 607 A C 0.553 178.176 177.584 0.065 0.000 1.133 607 A CA -0.593 51.319 52.037 -0.210 0.000 0.801 607 A CB 0.302 19.121 19.000 -0.302 0.000 1.092 607 A HN 0.655 nan 8.150 nan 0.000 0.504 608 K N -0.673 119.793 120.400 0.110 0.000 2.401 608 K HA 0.362 4.683 4.320 0.001 0.000 0.278 608 K C 1.111 177.851 176.600 0.234 0.000 1.018 608 K CA 1.110 57.485 56.287 0.146 0.000 0.981 608 K CB 0.321 32.876 32.500 0.092 0.000 0.933 608 K HN 1.316 nan 8.250 nan 0.000 0.477 609 G N 1.801 110.713 108.800 0.186 0.000 2.241 609 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 609 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 609 G C 0.219 175.199 174.900 0.133 0.000 0.998 609 G CA -0.224 44.958 45.100 0.138 0.000 0.621 609 G HN 0.740 nan 8.290 nan 0.000 0.519 610 H N 0.062 119.198 119.070 0.110 0.000 2.437 610 H HA 0.695 5.251 4.556 0.001 0.000 0.338 610 H C 0.466 175.878 175.328 0.140 0.000 1.495 610 H CA -0.066 56.073 56.048 0.152 0.000 1.453 610 H CB 0.806 30.704 29.762 0.227 0.000 1.707 610 H HN 0.196 nan 8.280 nan 0.000 0.655 611 R N 0.343 121.021 120.500 0.296 0.000 2.668 611 R HA 0.377 4.717 4.340 0.001 0.000 0.272 611 R C -0.972 175.406 176.300 0.130 0.000 1.019 611 R CA -0.696 55.498 56.100 0.157 0.000 0.894 611 R CB 2.073 32.434 30.300 0.101 0.000 1.228 611 R HN 0.438 nan 8.270 nan 0.000 0.460 612 I N 3.240 123.767 120.570 -0.071 0.000 2.353 612 I HA 0.408 4.579 4.170 0.001 0.000 0.293 612 I C 0.050 176.113 176.117 -0.090 0.000 0.992 612 I CA -0.381 60.754 61.300 -0.275 0.000 1.268 612 I CB 1.587 39.201 38.000 -0.642 0.000 1.387 612 I HN 0.438 nan 8.210 nan 0.000 0.478 613 M N 6.613 126.214 119.600 0.001 0.000 2.518 613 M HA 0.632 5.112 4.480 0.001 0.000 0.300 613 M C -2.004 174.331 176.300 0.059 0.000 1.175 613 M CA -0.613 54.714 55.300 0.044 0.000 0.890 613 M CB 2.461 35.110 32.600 0.081 0.000 1.710 613 M HN 0.316 nan 8.290 nan 0.000 0.453 614 V N 3.705 123.668 119.914 0.082 0.000 2.487 614 V HA 0.472 4.592 4.120 0.001 0.000 0.298 614 V C -0.923 175.260 176.094 0.149 0.000 1.028 614 V CA -0.541 61.813 62.300 0.090 0.000 0.860 614 V CB 1.892 33.732 31.823 0.029 0.000 0.991 614 V HN 0.873 nan 8.190 nan 0.000 0.427 615 Q N 3.722 123.588 119.800 0.110 0.000 2.340 615 Q HA 0.723 5.064 4.340 0.001 0.000 0.268 615 Q C -1.464 174.570 176.000 0.056 0.000 1.031 615 Q CA -0.525 55.328 55.803 0.083 0.000 0.804 615 Q CB 2.726 31.497 28.738 0.054 0.000 1.286 615 Q HN 0.681 nan 8.270 nan 0.000 0.448 616 I N 3.065 123.655 120.570 0.033 0.000 2.498 616 I HA 0.354 4.525 4.170 0.001 0.000 0.290 616 I C -0.489 175.533 176.117 -0.158 0.000 1.032 616 I CA -0.491 60.827 61.300 0.031 0.000 1.073 616 I CB 1.862 39.969 38.000 0.179 0.000 1.251 616 I HN 0.610 nan 8.210 nan 0.000 0.426 617 Q N 2.929 122.681 119.800 -0.081 0.000 2.693 617 Q HA 0.566 4.906 4.340 0.001 0.000 0.306 617 Q C -1.164 174.886 176.000 0.083 0.000 0.969 617 Q CA -0.908 54.827 55.803 -0.115 0.000 0.757 617 Q CB 1.994 30.637 28.738 -0.157 0.000 1.494 617 Q HN 0.399 nan 8.270 nan 0.000 0.459 618 S N -0.014 115.753 115.700 0.111 0.000 2.730 618 S HA 0.304 4.775 4.470 0.001 0.000 0.244 618 S C -0.837 173.743 174.600 -0.033 0.000 1.022 618 S CA 0.057 58.236 58.200 -0.035 0.000 1.014 618 S CB 0.439 63.561 63.200 -0.131 0.000 0.963 618 S HN 0.569 nan 8.310 nan 0.000 0.540 619 S N 0.141 115.861 115.700 0.032 0.000 2.550 619 S HA 0.657 5.128 4.470 0.001 0.000 0.270 619 S C -1.950 172.821 174.600 0.285 0.000 1.145 619 S CA -0.710 57.580 58.200 0.149 0.000 0.852 619 S CB 1.359 64.651 63.200 0.154 0.000 1.119 619 S HN 0.285 nan 8.310 nan 0.000 0.465 620 W N 2.202 123.644 121.300 0.237 0.000 1.752 620 W HA 0.492 5.153 4.660 0.001 0.000 0.308 620 W C -1.834 174.845 176.519 0.267 0.000 0.978 620 W CA -1.803 55.708 57.345 0.276 0.000 1.401 620 W CB 0.557 30.191 29.460 0.290 0.000 1.522 620 W HN 0.651 nan 8.180 nan 0.000 0.359 621 F N 4.571 124.711 119.950 0.317 0.000 2.379 621 F HA 0.483 5.010 4.527 0.001 0.000 0.332 621 F C -1.085 174.882 175.800 0.278 0.000 1.096 621 F CA -2.321 55.770 58.000 0.152 0.000 1.105 621 F CB 1.305 40.344 39.000 0.065 0.000 1.189 621 F HN -0.064 nan 8.300 nan 0.000 0.515 622 P HA 0.010 nan 4.420 nan 0.000 0.262 622 P C 1.392 178.126 177.300 -0.943 0.000 1.304 622 P CA 0.266 62.607 63.100 -1.265 0.000 0.859 622 P CB 0.271 31.307 31.700 -1.107 0.000 1.310 623 L N -0.034 120.619 121.223 -0.951 0.000 1.989 623 L HA -0.046 4.295 4.340 0.001 0.000 0.211 623 L C 0.345 176.627 176.870 -0.980 0.000 1.071 623 L CA 1.827 55.974 54.840 -1.155 0.000 0.749 623 L CB -1.241 39.620 42.059 -1.997 0.000 0.890 623 L HN -0.122 nan 8.230 nan 0.000 0.431 624 Y N 0.728 120.772 120.300 -0.427 0.000 2.360 624 Y HA 0.307 4.858 4.550 0.001 0.000 0.337 624 Y C 0.064 175.963 175.900 -0.003 0.000 1.039 624 Y CA -1.858 56.126 58.100 -0.194 0.000 1.109 624 Y CB 0.469 38.934 38.460 0.009 0.000 1.201 624 Y HN 0.235 nan 8.280 nan 0.000 0.458 625 D N 2.389 122.917 120.400 0.213 0.000 2.399 625 D HA 0.043 4.684 4.640 0.001 0.000 0.241 625 D C -0.396 176.133 176.300 0.381 0.000 1.133 625 D CA -0.406 53.810 54.000 0.360 0.000 0.890 625 D CB 0.721 41.773 40.800 0.419 0.000 1.201 625 D HN 0.480 nan 8.370 nan 0.000 0.432 626 R N 1.360 122.106 120.500 0.409 0.000 2.537 626 R HA 0.103 4.443 4.340 0.001 0.000 0.280 626 R C 0.661 177.122 176.300 0.270 0.000 1.058 626 R CA -0.431 55.832 56.100 0.271 0.000 1.057 626 R CB 0.235 30.605 30.300 0.116 0.000 0.973 626 R HN 0.454 nan 8.270 nan 0.000 0.438 627 N N 3.584 122.372 118.700 0.145 0.000 2.458 627 N HA 0.071 4.811 4.740 0.001 0.000 0.270 627 N C -1.904 173.632 175.510 0.043 0.000 1.102 627 N CA -1.866 51.213 53.050 0.049 0.000 0.967 627 N CB 1.410 39.878 38.487 -0.032 0.000 1.078 627 N HN 0.260 nan 8.380 nan 0.000 0.471 628 P HA -0.073 nan 4.420 nan 0.000 0.225 628 P C -0.174 177.065 177.300 -0.101 0.000 1.148 628 P CA 0.941 63.869 63.100 -0.287 0.000 0.779 628 P CB 0.229 31.581 31.700 -0.580 0.000 0.780 629 Q N -3.326 116.436 119.800 -0.065 0.000 2.424 629 Q HA -0.209 4.131 4.340 0.001 0.000 0.234 629 Q C 0.113 176.106 176.000 -0.011 0.000 0.748 629 Q CA 1.002 56.783 55.803 -0.035 0.000 1.286 629 Q CB -1.382 27.342 28.738 -0.024 0.000 1.494 629 Q HN 0.274 nan 8.270 nan 0.000 0.683 630 K N 0.118 120.500 120.400 -0.031 0.000 2.482 630 K HA 0.386 4.706 4.320 0.001 0.000 0.251 630 K C -1.306 175.306 176.600 0.020 0.000 0.936 630 K CA -0.785 55.504 56.287 0.003 0.000 0.791 630 K CB 0.899 33.377 32.500 -0.038 0.000 1.213 630 K HN -0.007 nan 8.250 nan 0.000 0.428 631 F N 5.514 125.432 119.950 -0.053 0.000 2.502 631 F HA 0.169 4.696 4.527 0.001 0.000 0.371 631 F C -0.344 175.423 175.800 -0.056 0.000 1.083 631 F CA 0.081 58.047 58.000 -0.055 0.000 1.174 631 F CB 0.448 39.426 39.000 -0.037 0.000 1.096 631 F HN 0.202 nan 8.300 nan 0.000 0.545 632 V N 5.081 124.583 119.914 -0.687 0.000 2.769 632 V HA 0.508 4.629 4.120 0.001 0.000 0.312 632 V C -2.195 173.436 176.094 -0.772 0.000 1.061 632 V CA -1.974 60.010 62.300 -0.528 0.000 0.931 632 V CB 1.530 33.171 31.823 -0.304 0.000 1.010 632 V HN 0.515 nan 8.190 nan 0.000 0.433 633 P HA -0.071 nan 4.420 nan 0.000 0.215 633 P C 0.190 177.342 177.300 -0.248 0.000 1.153 633 P CA 1.411 64.318 63.100 -0.322 0.000 0.853 633 P CB 0.139 31.759 31.700 -0.134 0.000 0.788 634 N N -1.067 117.516 118.700 -0.194 0.000 2.480 634 N HA 0.190 4.930 4.740 0.001 0.000 0.289 634 N C 0.592 176.036 175.510 -0.109 0.000 1.073 634 N CA -0.406 52.572 53.050 -0.119 0.000 0.885 634 N CB 0.978 39.420 38.487 -0.076 0.000 1.421 634 N HN -0.192 nan 8.380 nan 0.000 0.503 635 I N 2.077 122.555 120.570 -0.153 0.000 2.614 635 I HA -0.183 3.987 4.170 0.001 0.000 0.258 635 I C 1.200 177.314 176.117 -0.004 0.000 1.189 635 I CA 0.802 62.024 61.300 -0.131 0.000 1.462 635 I CB -0.126 37.783 38.000 -0.152 0.000 1.092 635 I HN 0.418 nan 8.210 nan 0.000 0.442 636 F N 1.175 121.181 119.950 0.094 0.000 2.171 636 F HA -0.195 4.332 4.527 0.001 0.000 0.300 636 F C 1.625 177.565 175.800 0.232 0.000 1.090 636 F CA 1.216 59.330 58.000 0.191 0.000 1.293 636 F CB -0.398 38.682 39.000 0.133 0.000 1.013 636 F HN 0.114 nan 8.300 nan 0.000 0.486 637 D N 0.256 120.850 120.400 0.324 0.000 2.491 637 D HA 0.238 4.878 4.640 0.001 0.000 0.228 637 D C 0.535 176.925 176.300 0.149 0.000 1.183 637 D CA 0.104 54.256 54.000 0.253 0.000 0.827 637 D CB -0.344 40.586 40.800 0.216 0.000 0.989 637 D HN 0.031 nan 8.370 nan 0.000 0.494 638 A N 0.987 123.888 122.820 0.134 0.000 2.498 638 A HA 0.130 4.450 4.320 0.001 0.000 0.239 638 A C 0.791 178.456 177.584 0.135 0.000 1.068 638 A CA 0.109 52.161 52.037 0.026 0.000 0.766 638 A CB 0.768 19.683 19.000 -0.142 0.000 1.003 638 A HN -0.054 nan 8.150 nan 0.000 0.497 639 K N 2.414 122.857 120.400 0.071 0.000 2.095 639 K HA 0.295 4.616 4.320 0.001 0.000 0.252 639 K C -1.926 174.810 176.600 0.226 0.000 0.977 639 K CA -1.766 54.601 56.287 0.133 0.000 0.900 639 K CB 0.846 33.389 32.500 0.070 0.000 1.060 639 K HN 0.290 nan 8.250 nan 0.000 0.449 640 P HA -0.219 nan 4.420 nan 0.000 0.216 640 P C 0.847 178.281 177.300 0.223 0.000 1.154 640 P CA 1.471 64.710 63.100 0.232 0.000 0.865 640 P CB 0.146 31.915 31.700 0.116 0.000 0.789 641 A N -0.806 122.092 122.820 0.130 0.000 2.119 641 A HA -0.133 4.188 4.320 0.001 0.000 0.217 641 A C 1.795 179.416 177.584 0.061 0.000 1.153 641 A CA 1.327 53.417 52.037 0.088 0.000 0.692 641 A CB -0.961 18.071 19.000 0.054 0.000 0.799 641 A HN 0.085 nan 8.150 nan 0.000 0.458 642 D N -0.978 119.433 120.400 0.018 0.000 2.224 642 D HA -0.050 4.591 4.640 0.001 0.000 0.205 642 D C -0.279 175.919 176.300 -0.169 0.000 0.965 642 D CA 0.686 54.614 54.000 -0.120 0.000 0.852 642 D CB -0.263 40.388 40.800 -0.249 0.000 0.947 642 D HN 0.558 nan 8.370 nan 0.000 0.494 643 Y N 1.625 121.930 120.300 0.008 0.000 2.730 643 Y HA 0.103 4.654 4.550 0.001 0.000 0.354 643 Y C 0.782 176.683 175.900 0.002 0.000 1.139 643 Y CA 0.022 58.122 58.100 -0.001 0.000 1.516 643 Y CB -0.101 38.351 38.460 -0.012 0.000 1.204 643 Y HN -0.300 nan 8.280 nan 0.000 0.520 644 T N 2.031 116.639 114.554 0.090 0.000 2.895 644 T HA 0.512 4.863 4.350 0.001 0.000 0.283 644 T C -0.151 174.587 174.700 0.062 0.000 1.014 644 T CA -0.959 61.180 62.100 0.066 0.000 1.037 644 T CB 1.619 70.507 68.868 0.034 0.000 1.006 644 T HN 0.185 nan 8.240 nan 0.000 0.468 645 V N 1.904 121.853 119.914 0.059 0.000 2.614 645 V HA 0.619 4.740 4.120 0.001 0.000 0.291 645 V C 0.459 176.574 176.094 0.035 0.000 1.049 645 V CA -0.386 61.947 62.300 0.053 0.000 1.038 645 V CB 0.490 32.348 31.823 0.059 0.000 0.980 645 V HN 1.183 nan 8.190 nan 0.000 0.481 646 A N 3.499 126.331 122.820 0.020 0.000 2.454 646 A HA 0.789 5.109 4.320 0.001 0.000 0.302 646 A C -0.262 177.312 177.584 -0.016 0.000 1.079 646 A CA -0.594 51.445 52.037 0.003 0.000 0.731 646 A CB 1.816 20.810 19.000 -0.011 0.000 1.299 646 A HN 0.652 nan 8.150 nan 0.000 0.413 647 T N 3.048 117.595 114.554 -0.012 0.000 2.743 647 T HA 0.416 4.766 4.350 0.001 0.000 0.292 647 T C -0.499 174.166 174.700 -0.058 0.000 0.972 647 T CA -0.296 61.785 62.100 -0.031 0.000 0.967 647 T CB 0.548 69.420 68.868 0.007 0.000 0.926 647 T HN 0.564 nan 8.240 nan 0.000 0.459 648 Q N 2.047 121.722 119.800 -0.208 0.000 2.241 648 Q HA 0.544 4.885 4.340 0.001 0.000 0.254 648 Q C -0.592 175.333 176.000 -0.126 0.000 0.917 648 Q CA -0.509 55.172 55.803 -0.205 0.000 0.919 648 Q CB 1.780 30.150 28.738 -0.613 0.000 1.237 648 Q HN 0.494 nan 8.270 nan 0.000 0.434 649 S N 2.499 118.239 115.700 0.067 0.000 2.605 649 S HA 0.515 4.985 4.470 0.001 0.000 0.308 649 S C -0.264 174.422 174.600 0.143 0.000 1.113 649 S CA -0.686 57.579 58.200 0.109 0.000 1.049 649 S CB 0.878 64.141 63.200 0.105 0.000 1.001 649 S HN 0.374 nan 8.310 nan 0.000 0.480 650 I N 3.327 124.020 120.570 0.204 0.000 2.307 650 I HA 0.283 4.454 4.170 0.001 0.000 0.289 650 I C 0.305 176.542 176.117 0.201 0.000 1.021 650 I CA -0.383 61.036 61.300 0.199 0.000 1.224 650 I CB 0.444 38.614 38.000 0.284 0.000 1.376 650 I HN 0.714 nan 8.210 nan 0.000 0.470 651 H N 6.104 125.221 119.070 0.079 0.000 2.511 651 H HA 0.461 5.018 4.556 0.001 0.000 0.346 651 H C -0.552 174.791 175.328 0.025 0.000 1.128 651 H CA 0.153 56.198 56.048 -0.004 0.000 1.342 651 H CB 0.710 30.447 29.762 -0.043 0.000 1.470 651 H HN 0.710 nan 8.280 nan 0.000 0.546 652 H N 1.476 120.389 119.070 -0.262 0.000 2.894 652 H HA 0.579 5.136 4.556 0.001 0.000 0.367 652 H C 0.147 175.373 175.328 -0.170 0.000 1.144 652 H CA -0.687 55.278 56.048 -0.138 0.000 1.180 652 H CB 1.150 30.824 29.762 -0.147 0.000 1.758 652 H HN 1.013 nan 8.280 nan 0.000 0.541 653 G N 0.316 109.114 108.800 -0.004 0.000 2.828 653 G HA2 0.299 4.260 3.960 0.001 0.000 0.463 653 G HA3 0.299 4.260 3.960 0.001 0.000 0.463 653 G C 0.553 175.395 174.900 -0.097 0.000 1.394 653 G CA 0.509 45.527 45.100 -0.137 0.000 0.862 653 G HN 2.240 nan 8.290 nan 0.000 0.540 654 G N -0.492 108.228 108.800 -0.133 0.000 2.550 654 G HA2 -0.213 3.748 3.960 0.001 0.000 0.277 654 G HA3 -0.213 3.748 3.960 0.001 0.000 0.277 654 G C 0.987 175.857 174.900 -0.050 0.000 1.190 654 G CA 1.194 46.257 45.100 -0.061 0.000 0.971 654 G HN 1.536 nan 8.290 nan 0.000 0.559 655 K N 0.996 121.308 120.400 -0.146 0.000 2.365 655 K HA 0.162 4.482 4.320 0.001 0.000 0.197 655 K C 1.098 177.383 176.600 -0.527 0.000 1.042 655 K CA 1.228 57.371 56.287 -0.239 0.000 0.987 655 K CB 0.137 32.511 32.500 -0.209 0.000 0.779 655 K HN 0.510 nan 8.250 nan 0.000 0.484 656 E N 0.630 120.439 120.200 -0.651 0.000 3.269 656 E HA 0.203 4.553 4.350 0.001 0.000 0.221 656 E C -1.266 174.906 176.600 -0.713 0.000 1.113 656 E CA -0.408 55.177 56.400 -1.358 0.000 1.385 656 E CB 1.299 30.363 29.700 -1.059 0.000 1.345 656 E HN 0.135 nan 8.360 nan 0.000 0.435 657 A N 1.474 124.064 122.820 -0.383 0.000 2.457 657 A HA 0.162 4.482 4.320 0.001 0.000 0.298 657 A C 0.454 178.214 177.584 0.293 0.000 1.288 657 A CA -0.179 51.898 52.037 0.066 0.000 0.956 657 A CB -0.111 19.012 19.000 0.206 0.000 1.135 657 A HN 0.150 nan 8.150 nan 0.000 0.535 658 T N 2.627 117.360 114.554 0.299 0.000 2.916 658 T HA 0.450 4.800 4.350 0.001 0.000 0.303 658 T C 0.651 175.421 174.700 0.116 0.000 1.025 658 T CA 0.874 63.141 62.100 0.277 0.000 1.142 658 T CB 0.298 69.254 68.868 0.146 0.000 0.947 658 T HN 1.202 nan 8.240 nan 0.000 0.544 659 S N 2.206 117.919 115.700 0.021 0.000 2.643 659 S HA 0.661 5.132 4.470 0.001 0.000 0.270 659 S C -1.739 172.757 174.600 -0.173 0.000 1.166 659 S CA -1.042 57.078 58.200 -0.133 0.000 0.815 659 S CB 1.171 64.194 63.200 -0.296 0.000 1.139 659 S HN 0.356 nan 8.310 nan 0.000 0.472 660 I N 2.077 122.521 120.570 -0.209 0.000 2.382 660 I HA 0.353 4.524 4.170 0.001 0.000 0.285 660 I C -0.538 175.478 176.117 -0.169 0.000 1.007 660 I CA -0.965 60.225 61.300 -0.184 0.000 1.142 660 I CB 1.056 38.968 38.000 -0.146 0.000 1.289 660 I HN 0.676 nan 8.210 nan 0.000 0.453 661 L N 6.921 128.049 121.223 -0.158 0.000 2.433 661 L HA 0.232 4.573 4.340 0.001 0.000 0.284 661 L C 0.180 177.006 176.870 -0.073 0.000 1.120 661 L CA -0.007 54.766 54.840 -0.113 0.000 0.879 661 L CB -0.092 41.911 42.059 -0.093 0.000 1.232 661 L HN 0.335 nan 8.230 nan 0.000 0.454 662 L N 6.406 127.613 121.223 -0.027 0.000 2.350 662 L HA 0.329 4.670 4.340 0.001 0.000 0.275 662 L C -1.722 175.156 176.870 0.014 0.000 1.099 662 L CA -1.679 53.177 54.840 0.026 0.000 0.808 662 L CB 1.372 43.496 42.059 0.107 0.000 1.149 662 L HN 0.352 nan 8.230 nan 0.000 0.442 663 P HA 0.093 nan 4.420 nan 0.000 0.219 663 P C -0.381 176.911 177.300 -0.013 0.000 1.832 663 P CA -0.191 62.886 63.100 -0.039 0.000 1.014 663 P CB 0.078 31.732 31.700 -0.077 0.000 1.939 664 V N 2.903 122.816 119.914 -0.001 0.000 2.529 664 V HA 0.081 4.201 4.120 0.001 0.000 0.292 664 V C 1.128 177.199 176.094 -0.039 0.000 1.028 664 V CA 0.084 62.379 62.300 -0.008 0.000 1.074 664 V CB 0.882 32.672 31.823 -0.055 0.000 0.958 664 V HN 0.266 nan 8.190 nan 0.000 0.481 665 V N 2.684 122.583 119.914 -0.026 0.000 2.919 665 V HA 0.780 4.900 4.120 0.001 0.000 0.316 665 V C -0.242 175.840 176.094 -0.021 0.000 1.077 665 V CA -1.301 60.981 62.300 -0.031 0.000 0.977 665 V CB 1.910 33.716 31.823 -0.028 0.000 1.039 665 V HN 0.618 nan 8.190 nan 0.000 0.441 666 K N 0.000 120.389 120.400 -0.018 0.000 2.780 666 K HA 0.000 4.321 4.320 0.001 0.000 0.191 666 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543