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 2b4k_1_A DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVHMPT DQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 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 4.061 124.553 120.400 0.154 0.000 2.363 51 D HA 0.088 4.728 4.640 0.000 0.000 0.263 51 D C -1.124 175.254 176.300 0.130 0.000 1.258 51 D CA -1.906 52.152 54.000 0.096 0.000 0.907 51 D CB 1.318 42.153 40.800 0.057 0.000 1.107 51 D HN 0.279 nan 8.370 nan 0.000 0.495 52 P HA -0.140 nan 4.420 nan 0.000 0.216 52 P C 1.676 179.011 177.300 0.059 0.000 1.153 52 P CA 0.702 63.867 63.100 0.107 0.000 0.848 52 P CB 0.250 31.994 31.700 0.072 0.000 0.787 53 L N -1.104 120.144 121.223 0.041 0.000 2.633 53 L HA -0.031 4.309 4.340 0.000 0.000 0.235 53 L C 2.144 179.027 176.870 0.022 0.000 1.163 53 L CA 0.802 55.657 54.840 0.026 0.000 0.859 53 L CB -0.368 41.702 42.059 0.020 0.000 0.973 53 L HN 0.050 nan 8.230 nan 0.000 0.451 54 S N -2.093 113.624 115.700 0.028 0.000 2.930 54 S HA 0.184 4.654 4.470 0.000 0.000 0.253 54 S C 0.364 174.968 174.600 0.006 0.000 1.083 54 S CA -0.198 58.012 58.200 0.017 0.000 0.836 54 S CB 0.849 64.061 63.200 0.020 0.000 0.814 54 S HN -0.053 nan 8.310 nan 0.000 0.467 55 V N 2.903 122.823 119.914 0.011 0.000 2.384 55 V HA 0.566 4.686 4.120 0.000 0.000 0.287 55 V C -0.573 175.492 176.094 -0.048 0.000 1.020 55 V CA -0.560 61.713 62.300 -0.045 0.000 0.850 55 V CB 1.388 33.141 31.823 -0.116 0.000 0.987 55 V HN 0.346 nan 8.190 nan 0.000 0.436 56 Q N 2.999 122.763 119.800 -0.060 0.000 2.333 56 Q HA 0.456 4.796 4.340 0.000 0.000 0.265 56 Q C 0.579 176.538 176.000 -0.068 0.000 0.989 56 Q CA 0.001 55.781 55.803 -0.038 0.000 0.842 56 Q CB 1.879 30.608 28.738 -0.015 0.000 1.262 56 Q HN 0.871 nan 8.270 nan 0.000 0.451 57 T N -0.079 114.443 114.554 -0.053 0.000 3.001 57 T HA 0.377 4.727 4.350 0.000 0.000 0.251 57 T C 0.826 175.522 174.700 -0.007 0.000 1.040 57 T CA 0.297 62.367 62.100 -0.051 0.000 0.985 57 T CB 0.422 69.263 68.868 -0.045 0.000 1.011 57 T HN 0.507 nan 8.240 nan 0.000 0.509 58 G N 1.172 109.977 108.800 0.008 0.000 2.714 58 G HA2 0.502 4.462 3.960 0.000 0.000 0.197 58 G HA3 0.502 4.462 3.960 0.000 0.000 0.197 58 G C -0.729 174.175 174.900 0.006 0.000 1.449 58 G CA -0.419 44.689 45.100 0.013 0.000 1.065 58 G HN 0.396 nan 8.290 nan 0.000 0.575 59 S N -0.976 114.730 115.700 0.010 0.000 2.454 59 S HA 0.313 4.783 4.470 0.000 0.000 0.306 59 S C 0.256 174.862 174.600 0.009 0.000 1.100 59 S CA -0.582 57.622 58.200 0.007 0.000 1.087 59 S CB 1.500 64.705 63.200 0.008 0.000 1.019 59 S HN 0.364 nan 8.310 nan 0.000 0.480 60 D N 3.047 123.451 120.400 0.006 0.000 2.378 60 D HA 0.051 4.691 4.640 0.000 0.000 0.222 60 D C 0.206 176.512 176.300 0.010 0.000 0.980 60 D CA 0.788 54.792 54.000 0.007 0.000 0.907 60 D CB 0.009 40.812 40.800 0.005 0.000 0.899 60 D HN 0.569 nan 8.370 nan 0.000 0.527 61 I N 2.375 122.951 120.570 0.010 0.000 2.337 61 I HA 0.132 4.302 4.170 0.000 0.000 0.291 61 I C -1.996 174.129 176.117 0.014 0.000 1.046 61 I CA -1.794 59.514 61.300 0.012 0.000 1.324 61 I CB 1.006 39.013 38.000 0.011 0.000 1.409 61 I HN -0.305 nan 8.210 nan 0.000 0.494 62 P HA 0.082 nan 4.420 nan 0.000 0.269 62 P C 0.458 177.771 177.300 0.021 0.000 1.209 62 P CA -0.151 62.961 63.100 0.020 0.000 0.776 62 P CB 0.979 32.694 31.700 0.023 0.000 0.876 63 A N 2.173 125.006 122.820 0.022 0.000 1.865 63 A HA -0.041 4.279 4.320 0.000 0.000 0.217 63 A C 1.226 178.826 177.584 0.027 0.000 1.191 63 A CA 2.157 54.208 52.037 0.023 0.000 0.623 63 A CB -0.915 18.099 19.000 0.023 0.000 0.826 63 A HN 0.651 nan 8.150 nan 0.000 0.444 64 S N -2.557 113.163 115.700 0.033 0.000 2.810 64 S HA 0.677 5.147 4.470 0.000 0.000 0.315 64 S C -0.839 173.789 174.600 0.047 0.000 1.138 64 S CA -0.032 58.192 58.200 0.040 0.000 0.889 64 S CB 1.537 64.768 63.200 0.052 0.000 1.236 64 S HN 0.989 nan 8.310 nan 0.000 0.548 65 V N 0.388 120.332 119.914 0.049 0.000 2.888 65 V HA 0.590 4.710 4.120 0.000 0.000 0.309 65 V C -1.167 174.968 176.094 0.069 0.000 1.114 65 V CA -0.699 61.634 62.300 0.054 0.000 0.940 65 V CB 1.332 33.170 31.823 0.025 0.000 1.021 65 V HN 1.119 nan 8.190 nan 0.000 0.426 66 H N 2.320 121.392 119.070 0.004 0.000 2.535 66 H HA 0.564 5.120 4.556 0.000 0.000 0.232 66 H C -0.115 175.212 175.328 -0.002 0.000 1.405 66 H CA -0.581 55.468 56.048 0.001 0.000 1.224 66 H CB 0.716 30.478 29.762 0.000 0.000 1.763 66 H HN 0.693 nan 8.280 nan 0.000 0.529 67 M N 2.411 122.021 119.600 0.018 0.000 2.408 67 M HA 0.040 4.520 4.480 0.000 0.000 0.363 67 M C -1.644 174.665 176.300 0.015 0.000 1.636 67 M CA -1.421 53.889 55.300 0.016 0.000 1.029 67 M CB 0.852 33.447 32.600 -0.009 0.000 2.068 67 M HN 0.318 nan 8.290 nan 0.000 0.466 68 P HA -0.011 nan 4.420 nan 0.000 0.242 68 P C 0.885 178.187 177.300 0.004 0.000 1.197 68 P CA 0.712 63.835 63.100 0.038 0.000 0.765 68 P CB -0.329 31.395 31.700 0.040 0.000 0.936 69 T N -3.341 111.209 114.554 -0.006 0.000 2.833 69 T HA -0.175 4.175 4.350 0.000 0.000 0.269 69 T C 1.220 175.891 174.700 -0.049 0.000 1.054 69 T CA 1.407 63.496 62.100 -0.018 0.000 1.135 69 T CB -1.030 67.832 68.868 -0.010 0.000 0.869 69 T HN 0.043 nan 8.240 nan 0.000 0.466 70 D N 1.677 122.037 120.400 -0.066 0.000 2.123 70 D HA -0.108 4.532 4.640 0.000 0.000 0.196 70 D C 2.481 178.715 176.300 -0.111 0.000 0.992 70 D CA 1.022 54.953 54.000 -0.116 0.000 0.833 70 D CB -0.317 40.412 40.800 -0.119 0.000 0.954 70 D HN 0.438 nan 8.370 nan 0.000 0.455 71 Q N 0.311 120.076 119.800 -0.058 0.000 2.170 71 Q HA -0.133 4.207 4.340 0.000 0.000 0.203 71 Q C 2.018 177.990 176.000 -0.046 0.000 0.976 71 Q CA 0.910 56.688 55.803 -0.041 0.000 0.858 71 Q CB -0.318 28.416 28.738 -0.007 0.000 0.907 71 Q HN 0.515 nan 8.270 nan 0.000 0.433 72 Q N 0.442 120.216 119.800 -0.044 0.000 2.230 72 Q HA -0.004 4.336 4.340 0.000 0.000 0.202 72 Q C 0.269 176.239 176.000 -0.049 0.000 0.963 72 Q CA 0.120 55.903 55.803 -0.033 0.000 0.866 72 Q CB 0.262 28.990 28.738 -0.017 0.000 0.931 72 Q HN 0.248 nan 8.270 nan 0.000 0.452 73 R N 1.878 122.314 120.500 -0.108 0.000 2.698 73 R HA -0.061 4.279 4.340 0.000 0.000 0.266 73 R C 0.289 176.508 176.300 -0.134 0.000 1.026 73 R CA 0.590 56.580 56.100 -0.183 0.000 1.102 73 R CB 0.251 30.260 30.300 -0.485 0.000 0.978 73 R HN 0.180 nan 8.270 nan 0.000 0.436 74 D N 2.382 122.770 120.400 -0.020 0.000 2.525 74 D HA 0.018 4.658 4.640 0.000 0.000 0.229 74 D C -0.649 175.742 176.300 0.153 0.000 1.202 74 D CA -0.155 53.882 54.000 0.060 0.000 0.828 74 D CB -0.060 40.797 40.800 0.095 0.000 1.008 74 D HN 0.507 nan 8.370 nan 0.000 0.493 75 Y N -1.317 118.993 120.300 0.016 0.000 2.713 75 Y HA 0.587 5.137 4.550 0.000 0.000 0.335 75 Y C -1.655 174.256 175.900 0.017 0.000 1.222 75 Y CA -1.825 56.287 58.100 0.020 0.000 1.061 75 Y CB 0.714 39.190 38.460 0.027 0.000 1.314 75 Y HN -0.078 nan 8.280 nan 0.000 0.453 76 I N -0.536 120.137 120.570 0.172 0.000 2.828 76 I HA 0.708 4.878 4.170 0.000 0.000 0.302 76 I C -1.430 174.835 176.117 0.246 0.000 1.101 76 I CA -1.277 60.064 61.300 0.069 0.000 1.031 76 I CB 2.642 40.655 38.000 0.021 0.000 1.231 76 I HN 0.657 nan 8.210 nan 0.000 0.427 77 K N 3.977 124.483 120.400 0.177 0.000 2.358 77 K HA 0.518 4.838 4.320 0.000 0.000 0.260 77 K C -1.056 175.599 176.600 0.090 0.000 0.956 77 K CA -0.770 55.623 56.287 0.176 0.000 0.834 77 K CB 1.682 34.311 32.500 0.215 0.000 1.102 77 K HN 0.653 nan 8.250 nan 0.000 0.431 78 R N 2.659 123.203 120.500 0.073 0.000 2.295 78 R HA 0.171 4.511 4.340 0.000 0.000 0.324 78 R C -0.830 175.457 176.300 -0.022 0.000 0.968 78 R CA -0.415 55.709 56.100 0.040 0.000 0.837 78 R CB 1.229 31.569 30.300 0.067 0.000 1.133 78 R HN 0.548 nan 8.270 nan 0.000 0.450 79 E N 2.840 122.998 120.200 -0.070 0.000 2.081 79 E HA 0.269 4.619 4.350 0.000 0.000 0.276 79 E C -0.949 175.503 176.600 -0.246 0.000 0.950 79 E CA -0.533 55.725 56.400 -0.236 0.000 0.776 79 E CB 1.942 31.531 29.700 -0.185 0.000 1.094 79 E HN 0.154 nan 8.360 nan 0.000 0.402 80 V N 3.685 123.389 119.914 -0.350 0.000 2.735 80 V HA 0.272 4.392 4.120 0.000 0.000 0.310 80 V C -0.089 175.761 176.094 -0.406 0.000 1.061 80 V CA -0.941 61.169 62.300 -0.317 0.000 0.913 80 V CB 1.975 33.593 31.823 -0.342 0.000 1.005 80 V HN 0.738 nan 8.190 nan 0.000 0.428 81 M N 4.044 123.471 119.600 -0.288 0.000 3.176 81 M HA 0.279 4.760 4.480 0.000 0.000 0.284 81 M C -0.427 175.683 176.300 -0.316 0.000 1.392 81 M CA -0.291 54.875 55.300 -0.223 0.000 1.520 81 M CB 0.392 32.935 32.600 -0.094 0.000 1.100 81 M HN 0.407 nan 8.290 nan 0.000 0.555 82 V N 6.250 125.868 119.914 -0.492 0.000 2.485 82 V HA 0.112 4.232 4.120 0.000 0.000 0.287 82 V C -1.810 174.114 176.094 -0.284 0.000 1.022 82 V CA -0.810 61.099 62.300 -0.651 0.000 1.067 82 V CB 0.104 31.457 31.823 -0.784 0.000 0.967 82 V HN 0.491 nan 8.190 nan 0.000 0.479 83 P HA 0.321 nan 4.420 nan 0.000 0.293 83 P C -0.431 176.879 177.300 0.017 0.000 1.300 83 P CA -0.586 62.490 63.100 -0.040 0.000 0.792 83 P CB 1.161 32.867 31.700 0.012 0.000 0.925 84 M N 3.225 122.844 119.600 0.033 0.000 2.055 84 M HA 0.204 4.684 4.480 0.000 0.000 0.279 84 M C 2.104 178.451 176.300 0.078 0.000 1.236 84 M CA -0.239 55.102 55.300 0.069 0.000 1.074 84 M CB -0.150 32.489 32.600 0.065 0.000 1.394 84 M HN 0.408 nan 8.290 nan 0.000 0.492 85 R N 0.613 121.163 120.500 0.084 0.000 2.237 85 R HA -0.099 4.241 4.340 0.000 0.000 0.219 85 R C 0.411 176.735 176.300 0.039 0.000 1.080 85 R CA 1.581 57.719 56.100 0.064 0.000 0.995 85 R CB -0.490 29.835 30.300 0.042 0.000 0.875 85 R HN 0.657 nan 8.270 nan 0.000 0.462 86 D N -0.444 119.979 120.400 0.038 0.000 2.358 86 D HA 0.111 4.751 4.640 0.000 0.000 0.224 86 D C 1.057 177.377 176.300 0.032 0.000 1.123 86 D CA 0.404 54.422 54.000 0.029 0.000 0.833 86 D CB 0.529 41.345 40.800 0.027 0.000 0.946 86 D HN 0.384 nan 8.370 nan 0.000 0.505 87 G N -0.131 108.691 108.800 0.037 0.000 2.284 87 G HA2 -0.296 3.664 3.960 0.000 0.000 0.247 87 G HA3 -0.296 3.664 3.960 0.000 0.000 0.247 87 G C 0.296 175.215 174.900 0.031 0.000 1.012 87 G CA 0.167 45.287 45.100 0.034 0.000 0.618 87 G HN 0.382 nan 8.290 nan 0.000 0.521 88 V N 2.712 122.647 119.914 0.034 0.000 2.529 88 V HA 0.314 4.434 4.120 0.000 0.000 0.292 88 V C 0.826 176.934 176.094 0.024 0.000 1.028 88 V CA 0.436 62.757 62.300 0.034 0.000 1.074 88 V CB 1.082 32.933 31.823 0.046 0.000 0.958 88 V HN 0.407 nan 8.190 nan 0.000 0.481 89 K N 5.909 126.318 120.400 0.015 0.000 2.118 89 K HA 0.690 5.010 4.320 0.000 0.000 0.267 89 K C -0.977 175.622 176.600 -0.000 0.000 0.991 89 K CA -0.583 55.696 56.287 -0.013 0.000 0.916 89 K CB 1.483 33.970 32.500 -0.022 0.000 1.041 89 K HN 0.457 nan 8.250 nan 0.000 0.455 90 L N 2.720 123.922 121.223 -0.036 0.000 2.341 90 L HA 0.337 4.677 4.340 0.000 0.000 0.278 90 L C -0.512 176.355 176.870 -0.006 0.000 1.005 90 L CA -1.241 53.603 54.840 0.007 0.000 0.818 90 L CB 0.970 43.032 42.059 0.006 0.000 1.259 90 L HN 0.590 nan 8.230 nan 0.000 0.418 91 Y N 2.265 122.540 120.300 -0.043 0.000 2.610 91 Y HA 0.100 4.650 4.550 0.000 0.000 0.332 91 Y C -0.140 175.731 175.900 -0.047 0.000 1.201 91 Y CA 0.620 58.696 58.100 -0.041 0.000 1.465 91 Y CB 0.687 39.147 38.460 -0.000 0.000 1.283 91 Y HN 0.493 nan 8.280 nan 0.000 0.563 92 T N 6.072 120.366 114.554 -0.433 0.000 3.066 92 T HA 0.261 4.611 4.350 0.000 0.000 0.318 92 T C -1.156 173.376 174.700 -0.280 0.000 0.979 92 T CA -0.716 61.242 62.100 -0.237 0.000 1.025 92 T CB 0.391 69.106 68.868 -0.255 0.000 1.002 92 T HN 0.396 nan 8.240 nan 0.000 0.453 93 V N 5.082 124.958 119.914 -0.064 0.000 2.455 93 V HA 0.378 4.498 4.120 0.000 0.000 0.273 93 V C 0.208 176.340 176.094 0.064 0.000 1.045 93 V CA -0.391 61.917 62.300 0.014 0.000 0.976 93 V CB 0.375 32.304 31.823 0.177 0.000 0.993 93 V HN 0.765 nan 8.190 nan 0.000 0.475 94 I N 5.755 126.353 120.570 0.047 0.000 2.354 94 I HA 0.336 4.506 4.170 0.000 0.000 0.286 94 I C -0.433 175.741 176.117 0.095 0.000 1.007 94 I CA -0.635 60.711 61.300 0.077 0.000 1.167 94 I CB 1.678 39.731 38.000 0.088 0.000 1.320 94 I HN 0.268 nan 8.210 nan 0.000 0.458 95 V N 7.757 127.730 119.914 0.098 0.000 2.348 95 V HA 0.380 4.500 4.120 0.000 0.000 0.270 95 V C 0.159 176.313 176.094 0.099 0.000 1.037 95 V CA -0.243 62.117 62.300 0.100 0.000 0.872 95 V CB 0.961 32.800 31.823 0.027 0.000 1.002 95 V HN 0.486 nan 8.190 nan 0.000 0.464 96 I N 7.329 127.980 120.570 0.135 0.000 2.362 96 I HA 0.395 4.565 4.170 0.000 0.000 0.289 96 I C -2.430 173.772 176.117 0.142 0.000 0.994 96 I CA -2.283 59.082 61.300 0.108 0.000 1.158 96 I CB 2.162 40.209 38.000 0.078 0.000 1.315 96 I HN 0.382 nan 8.210 nan 0.000 0.451 97 P HA -0.002 nan 4.420 nan 0.000 0.263 97 P C -0.545 176.811 177.300 0.093 0.000 1.195 97 P CA -0.278 62.896 63.100 0.123 0.000 0.762 97 P CB 0.393 32.144 31.700 0.085 0.000 0.799 98 K N 3.700 124.158 120.400 0.096 0.000 2.504 98 K HA -0.113 4.207 4.320 0.000 0.000 0.278 98 K C 0.440 177.059 176.600 0.032 0.000 1.025 98 K CA 0.594 56.909 56.287 0.047 0.000 1.093 98 K CB -0.538 31.977 32.500 0.025 0.000 0.873 98 K HN 0.390 nan 8.250 nan 0.000 0.483 99 N N 0.928 119.639 118.700 0.019 0.000 2.783 99 N HA -0.191 4.549 4.740 0.000 0.000 0.247 99 N C -1.525 173.989 175.510 0.008 0.000 1.089 99 N CA 0.865 53.921 53.050 0.010 0.000 0.690 99 N CB -0.901 37.591 38.487 0.008 0.000 0.991 99 N HN 0.624 nan 8.380 nan 0.000 0.552 100 A N 0.573 123.398 122.820 0.009 0.000 2.316 100 A HA 0.797 5.117 4.320 0.000 0.000 0.284 100 A C 0.440 178.014 177.584 -0.016 0.000 1.115 100 A CA -0.014 52.023 52.037 -0.000 0.000 0.812 100 A CB 0.787 19.790 19.000 0.005 0.000 1.064 100 A HN 0.395 nan 8.150 nan 0.000 0.489 101 R N 0.578 121.062 120.500 -0.027 0.000 2.548 101 R HA 0.344 4.684 4.340 0.000 0.000 0.280 101 R C -0.888 175.380 176.300 -0.053 0.000 1.061 101 R CA -0.538 55.540 56.100 -0.037 0.000 0.915 101 R CB 1.173 31.455 30.300 -0.029 0.000 1.210 101 R HN 0.950 nan 8.270 nan 0.000 0.442 102 N N 0.615 119.276 118.700 -0.064 0.000 2.705 102 N HA -0.258 4.482 4.740 0.000 0.000 0.255 102 N C -1.247 174.197 175.510 -0.111 0.000 1.008 102 N CA 0.936 53.936 53.050 -0.082 0.000 0.742 102 N CB -0.402 38.043 38.487 -0.071 0.000 0.906 102 N HN 0.560 nan 8.380 nan 0.000 0.541 103 A N 0.530 123.277 122.820 -0.122 0.000 2.304 103 A HA 0.634 4.954 4.320 0.000 0.000 0.323 103 A C -2.047 175.393 177.584 -0.241 0.000 1.195 103 A CA -1.539 50.394 52.037 -0.174 0.000 0.826 103 A CB 1.022 19.952 19.000 -0.118 0.000 1.184 103 A HN 0.090 nan 8.150 nan 0.000 0.496 104 P HA 0.196 nan 4.420 nan 0.000 0.269 104 P C -0.680 176.418 177.300 -0.336 0.000 1.215 104 P CA 0.299 63.132 63.100 -0.444 0.000 0.780 104 P CB 0.695 31.923 31.700 -0.786 0.000 0.898 105 I N 2.228 122.689 120.570 -0.182 0.000 2.354 105 I HA 0.238 4.408 4.170 0.000 0.000 0.292 105 I C 0.282 176.392 176.117 -0.012 0.000 0.989 105 I CA -0.934 60.319 61.300 -0.078 0.000 1.188 105 I CB 1.463 39.411 38.000 -0.086 0.000 1.342 105 I HN 0.173 nan 8.210 nan 0.000 0.457 106 L N 8.246 129.486 121.223 0.028 0.000 2.262 106 L HA 0.472 4.812 4.340 0.000 0.000 0.288 106 L C -0.836 175.941 176.870 -0.156 0.000 1.035 106 L CA -0.345 54.448 54.840 -0.078 0.000 0.820 106 L CB 1.101 42.980 42.059 -0.299 0.000 1.204 106 L HN 0.496 nan 8.230 nan 0.000 0.424 107 L N 4.695 125.834 121.223 -0.139 0.000 2.317 107 L HA 0.781 5.121 4.340 0.000 0.000 0.281 107 L C -0.708 176.028 176.870 -0.223 0.000 1.024 107 L CA 0.376 55.108 54.840 -0.179 0.000 0.810 107 L CB 2.115 44.109 42.059 -0.108 0.000 1.240 107 L HN 0.594 nan 8.230 nan 0.000 0.427 108 T N 4.597 118.939 114.554 -0.353 0.000 2.937 108 T HA 0.517 4.867 4.350 0.000 0.000 0.297 108 T C -0.655 173.964 174.700 -0.136 0.000 0.991 108 T CA -0.564 61.352 62.100 -0.308 0.000 0.990 108 T CB 1.058 69.552 68.868 -0.622 0.000 0.991 108 T HN 0.585 nan 8.240 nan 0.000 0.440 109 R N 1.807 122.315 120.500 0.013 0.000 2.255 109 R HA 0.689 5.029 4.340 0.000 0.000 0.326 109 R C -0.144 176.252 176.300 0.160 0.000 0.986 109 R CA -0.721 55.434 56.100 0.092 0.000 0.847 109 R CB 1.503 31.859 30.300 0.093 0.000 1.111 109 R HN 0.545 nan 8.270 nan 0.000 0.452 110 T N 2.032 116.680 114.554 0.156 0.000 2.912 110 T HA 0.408 4.758 4.350 0.000 0.000 0.299 110 T C -2.359 172.276 174.700 -0.109 0.000 1.052 110 T CA -2.149 60.004 62.100 0.089 0.000 0.996 110 T CB 1.908 70.916 68.868 0.233 0.000 1.070 110 T HN 0.356 nan 8.240 nan 0.000 0.465 111 P HA 0.242 nan 4.420 nan 0.000 0.258 111 P C -0.658 176.330 177.300 -0.520 0.000 1.416 111 P CA -0.123 62.594 63.100 -0.639 0.000 0.927 111 P CB -0.246 30.701 31.700 -1.256 0.000 1.444 112 Y N 0.399 120.661 120.300 -0.064 0.000 2.685 112 Y HA 0.307 4.857 4.550 0.000 0.000 0.339 112 Y C 0.524 176.186 175.900 -0.396 0.000 0.961 112 Y CA -1.732 56.303 58.100 -0.110 0.000 1.330 112 Y CB -1.128 37.325 38.460 -0.010 0.000 1.269 112 Y HN 0.087 nan 8.280 nan 0.000 0.566 113 N N 0.524 118.800 118.700 -0.707 0.000 2.471 113 N HA -0.232 4.508 4.740 0.000 0.000 0.286 113 N C 0.927 176.184 175.510 -0.421 0.000 1.327 113 N CA 0.239 52.670 53.050 -1.031 0.000 0.657 113 N CB -0.115 37.551 38.487 -1.369 0.000 0.901 113 N HN 0.560 nan 8.380 nan 0.000 0.531 114 A N 3.711 126.402 122.820 -0.215 0.000 1.908 114 A HA -0.235 4.085 4.320 0.000 0.000 0.218 114 A C 1.964 179.505 177.584 -0.072 0.000 1.181 114 A CA 1.978 54.004 52.037 -0.018 0.000 0.627 114 A CB -0.347 18.788 19.000 0.225 0.000 0.818 114 A HN 0.800 nan 8.150 nan 0.000 0.445 115 K N -0.763 119.578 120.400 -0.099 0.000 2.032 115 K HA -0.140 4.180 4.320 0.000 0.000 0.209 115 K C 1.961 178.490 176.600 -0.120 0.000 1.048 115 K CA 1.643 57.905 56.287 -0.041 0.000 0.927 115 K CB -0.542 31.884 32.500 -0.123 0.000 0.712 115 K HN 0.391 nan 8.250 nan 0.000 0.441 116 G N 0.532 109.211 108.800 -0.202 0.000 2.448 116 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 116 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 116 G C 1.452 176.207 174.900 -0.241 0.000 1.135 116 G CA -0.050 44.936 45.100 -0.189 0.000 0.784 116 G HN 0.136 nan 8.290 nan 0.000 0.543 117 R N 0.961 121.246 120.500 -0.359 0.000 2.096 117 R HA 0.022 4.362 4.340 0.000 0.000 0.235 117 R C 2.141 178.033 176.300 -0.679 0.000 1.127 117 R CA 1.073 56.813 56.100 -0.600 0.000 0.968 117 R CB -0.794 28.910 30.300 -0.994 0.000 0.861 117 R HN 0.299 nan 8.270 nan 0.000 0.440 118 A N 1.020 123.529 122.820 -0.519 0.000 2.734 118 A HA 0.165 4.485 4.320 0.000 0.000 0.279 118 A C 0.057 177.547 177.584 -0.157 0.000 1.386 118 A CA -0.167 51.697 52.037 -0.287 0.000 0.987 118 A CB -0.198 18.740 19.000 -0.103 0.000 1.041 118 A HN 0.128 nan 8.150 nan 0.000 0.569 119 N N 0.087 118.692 118.700 -0.158 0.000 2.622 119 N HA 0.070 4.810 4.740 0.000 0.000 0.293 119 N C 0.999 176.464 175.510 -0.075 0.000 1.788 119 N CA -0.238 52.760 53.050 -0.088 0.000 0.860 119 N CB 0.313 38.762 38.487 -0.063 0.000 1.388 119 N HN 0.518 nan 8.380 nan 0.000 0.496 120 R N -0.002 120.450 120.500 -0.080 0.000 2.096 120 R HA -0.052 4.288 4.340 0.000 0.000 0.240 120 R C -0.058 176.227 176.300 -0.025 0.000 1.139 120 R CA 1.397 57.468 56.100 -0.048 0.000 0.952 120 R CB 0.211 30.487 30.300 -0.039 0.000 0.854 120 R HN -0.043 nan 8.270 nan 0.000 0.436 121 V N 3.964 123.866 119.914 -0.020 0.000 2.284 121 V HA 0.272 4.392 4.120 0.000 0.000 0.274 121 V C -2.272 173.827 176.094 0.008 0.000 1.023 121 V CA -1.931 60.369 62.300 -0.001 0.000 0.808 121 V CB 1.288 33.116 31.823 0.009 0.000 1.035 121 V HN 0.203 nan 8.190 nan 0.000 0.445 122 P HA -0.041 nan 4.420 nan 0.000 0.263 122 P C 0.361 177.687 177.300 0.044 0.000 1.168 122 P CA 0.628 63.738 63.100 0.017 0.000 0.759 122 P CB 0.047 31.752 31.700 0.009 0.000 0.782 123 N N -0.989 117.754 118.700 0.072 0.000 2.686 123 N HA -0.217 4.523 4.740 0.000 0.000 0.249 123 N C 0.242 175.825 175.510 0.123 0.000 1.082 123 N CA 0.545 53.657 53.050 0.104 0.000 0.725 123 N CB -1.540 36.981 38.487 0.057 0.000 1.009 123 N HN 0.641 nan 8.380 nan 0.000 0.545 124 A N -0.065 122.842 122.820 0.145 0.000 2.507 124 A HA 0.218 4.538 4.320 0.000 0.000 0.235 124 A C 1.376 179.093 177.584 0.222 0.000 1.070 124 A CA -0.054 52.067 52.037 0.141 0.000 0.768 124 A CB 0.272 19.331 19.000 0.098 0.000 1.011 124 A HN 0.375 nan 8.150 nan 0.000 0.502 125 L N 0.735 122.042 121.223 0.141 0.000 2.395 125 L HA 0.025 4.365 4.340 0.000 0.000 0.218 125 L C 1.053 178.039 176.870 0.193 0.000 1.130 125 L CA 1.209 56.118 54.840 0.116 0.000 0.826 125 L CB -0.782 41.311 42.059 0.056 0.000 0.941 125 L HN 0.894 nan 8.230 nan 0.000 0.451 126 T N -4.655 110.032 114.554 0.221 0.000 2.863 126 T HA 0.282 4.632 4.350 0.000 0.000 0.285 126 T C 0.592 175.377 174.700 0.141 0.000 1.009 126 T CA -0.672 61.551 62.100 0.206 0.000 0.989 126 T CB 2.476 71.402 68.868 0.097 0.000 1.004 126 T HN -0.046 nan 8.240 nan 0.000 0.455 127 M N 0.952 120.601 119.600 0.083 0.000 2.117 127 M HA -0.065 4.415 4.480 0.000 0.000 0.262 127 M C 2.425 178.641 176.300 -0.139 0.000 1.065 127 M CA 1.640 56.797 55.300 -0.239 0.000 1.114 127 M CB -0.231 32.295 32.600 -0.124 0.000 1.361 127 M HN 0.768 nan 8.290 nan 0.000 0.408 128 R N 0.522 120.997 120.500 -0.042 0.000 2.139 128 R HA -0.171 4.169 4.340 0.000 0.000 0.243 128 R C 1.688 177.967 176.300 -0.034 0.000 1.145 128 R CA 2.121 58.203 56.100 -0.030 0.000 0.976 128 R CB -0.294 30.002 30.300 -0.007 0.000 0.866 128 R HN 0.541 nan 8.270 nan 0.000 0.449 129 E N -0.981 119.203 120.200 -0.026 0.000 2.051 129 E HA -0.109 4.241 4.350 0.000 0.000 0.189 129 E C 1.875 178.448 176.600 -0.045 0.000 0.979 129 E CA 1.180 57.570 56.400 -0.017 0.000 0.803 129 E CB -0.084 29.624 29.700 0.013 0.000 0.761 129 E HN 0.154 nan 8.360 nan 0.000 0.451 130 V N 1.404 121.262 119.914 -0.093 0.000 2.594 130 V HA -0.113 4.007 4.120 0.000 0.000 0.253 130 V C 0.990 177.006 176.094 -0.131 0.000 1.069 130 V CA 0.978 63.199 62.300 -0.133 0.000 1.082 130 V CB -0.061 31.595 31.823 -0.279 0.000 0.680 130 V HN 0.062 nan 8.190 nan 0.000 0.469 131 L N 0.423 121.576 121.223 -0.117 0.000 2.375 131 L HA 0.405 4.745 4.340 0.000 0.000 0.268 131 L C -2.196 174.647 176.870 -0.044 0.000 1.058 131 L CA -2.001 52.799 54.840 -0.067 0.000 0.803 131 L CB 0.824 42.867 42.059 -0.026 0.000 1.212 131 L HN 0.001 nan 8.230 nan 0.000 0.451 132 P HA -0.003 nan 4.420 nan 0.000 0.270 132 P C 0.073 177.339 177.300 -0.056 0.000 1.223 132 P CA -0.188 62.889 63.100 -0.038 0.000 0.785 132 P CB 0.533 32.220 31.700 -0.022 0.000 0.923 133 Q N 1.592 121.339 119.800 -0.088 0.000 2.173 133 Q HA -0.185 4.155 4.340 0.000 0.000 0.208 133 Q C 1.884 177.801 176.000 -0.138 0.000 0.989 133 Q CA 2.200 57.943 55.803 -0.100 0.000 0.872 133 Q CB -0.906 27.779 28.738 -0.088 0.000 0.909 133 Q HN 0.727 nan 8.270 nan 0.000 0.420 134 G N -0.770 107.905 108.800 -0.208 0.000 2.776 134 G HA2 -0.134 3.826 3.960 0.000 0.000 0.209 134 G HA3 -0.134 3.826 3.960 0.000 0.000 0.209 134 G C 0.318 175.178 174.900 -0.067 0.000 1.145 134 G CA 0.458 45.464 45.100 -0.156 0.000 0.791 134 G HN 0.295 nan 8.290 nan 0.000 0.530 135 D N 0.578 120.954 120.400 -0.041 0.000 2.379 135 D HA 0.024 4.664 4.640 0.000 0.000 0.208 135 D C 2.072 178.333 176.300 -0.064 0.000 1.065 135 D CA 0.377 54.386 54.000 0.015 0.000 0.848 135 D CB 0.163 40.994 40.800 0.052 0.000 0.949 135 D HN 0.346 nan 8.370 nan 0.000 0.509 136 D N 1.129 121.468 120.400 -0.102 0.000 2.192 136 D HA -0.229 4.411 4.640 0.000 0.000 0.189 136 D C 2.050 178.229 176.300 -0.201 0.000 1.007 136 D CA 2.094 56.029 54.000 -0.107 0.000 0.859 136 D CB -1.040 39.729 40.800 -0.053 0.000 0.936 136 D HN 0.293 nan 8.370 nan 0.000 0.447 137 V N -2.740 116.933 119.914 -0.402 0.000 2.759 137 V HA -0.093 4.027 4.120 0.000 0.000 0.256 137 V C 2.264 177.941 176.094 -0.694 0.000 1.080 137 V CA 1.187 63.124 62.300 -0.605 0.000 1.101 137 V CB -1.103 30.186 31.823 -0.891 0.000 0.698 137 V HN -0.001 nan 8.190 nan 0.000 0.477 138 F N 0.058 119.759 119.950 -0.416 0.000 2.473 138 F HA 0.250 4.777 4.527 0.000 0.000 0.294 138 F C 2.308 178.002 175.800 -0.177 0.000 1.103 138 F CA 0.791 58.492 58.000 -0.498 0.000 1.442 138 F CB -0.529 38.044 39.000 -0.712 0.000 1.097 138 F HN -0.026 nan 8.300 nan 0.000 0.547 139 V N -0.058 119.866 119.914 0.018 0.000 2.358 139 V HA -0.232 3.888 4.120 0.000 0.000 0.246 139 V C 2.059 178.171 176.094 0.031 0.000 1.047 139 V CA 1.807 64.129 62.300 0.037 0.000 1.035 139 V CB -0.543 31.280 31.823 -0.000 0.000 0.658 139 V HN 0.255 nan 8.190 nan 0.000 0.452 140 E N 0.425 120.612 120.200 -0.022 0.000 2.153 140 E HA -0.131 4.219 4.350 0.000 0.000 0.194 140 E C 2.238 178.846 176.600 0.014 0.000 0.988 140 E CA 1.171 57.559 56.400 -0.019 0.000 0.811 140 E CB -0.403 29.259 29.700 -0.064 0.000 0.746 140 E HN 0.633 nan 8.360 nan 0.000 0.466 141 G N -0.263 108.564 108.800 0.045 0.000 2.572 141 G HA2 0.062 4.022 3.960 0.000 0.000 0.216 141 G HA3 0.062 4.022 3.960 0.000 0.000 0.216 141 G C 0.982 176.008 174.900 0.210 0.000 1.133 141 G CA 0.258 45.449 45.100 0.151 0.000 0.791 141 G HN 0.406 nan 8.290 nan 0.000 0.538 142 G N -1.255 107.662 108.800 0.196 0.000 2.248 142 G HA2 -0.260 3.700 3.960 0.000 0.000 0.252 142 G HA3 -0.260 3.700 3.960 0.000 0.000 0.252 142 G C -0.111 174.886 174.900 0.161 0.000 1.085 142 G CA -0.216 44.968 45.100 0.140 0.000 0.845 142 G HN 0.341 nan 8.290 nan 0.000 0.494 143 Y N -0.766 119.558 120.300 0.039 0.000 2.301 143 Y HA 0.596 5.146 4.550 0.000 0.000 0.328 143 Y C 1.428 177.327 175.900 -0.002 0.000 1.242 143 Y CA -0.815 57.297 58.100 0.019 0.000 1.323 143 Y CB 0.781 39.259 38.460 0.029 0.000 1.266 143 Y HN 0.219 nan 8.280 nan 0.000 0.527 144 I N 3.876 124.491 120.570 0.075 0.000 2.352 144 I HA 0.187 4.357 4.170 0.000 0.000 0.290 144 I C -0.111 176.042 176.117 0.060 0.000 1.036 144 I CA -0.518 60.811 61.300 0.049 0.000 1.336 144 I CB 0.607 38.606 38.000 -0.003 0.000 1.407 144 I HN 0.347 nan 8.210 nan 0.000 0.497 145 R N 6.010 126.546 120.500 0.060 0.000 2.254 145 R HA 0.531 4.871 4.340 0.000 0.000 0.318 145 R C -1.484 174.842 176.300 0.043 0.000 1.031 145 R CA -0.427 55.696 56.100 0.038 0.000 0.905 145 R CB 0.953 31.302 30.300 0.082 0.000 1.050 145 R HN 0.375 nan 8.270 nan 0.000 0.456 146 V N 6.200 126.089 119.914 -0.042 0.000 2.444 146 V HA 0.494 4.614 4.120 0.000 0.000 0.294 146 V C -0.945 175.073 176.094 -0.126 0.000 1.022 146 V CA -0.577 61.710 62.300 -0.021 0.000 0.850 146 V CB 1.352 33.158 31.823 -0.029 0.000 0.992 146 V HN 0.616 nan 8.190 nan 0.000 0.426 147 F N 3.567 123.530 119.950 0.022 0.000 2.477 147 F HA 0.584 5.111 4.527 0.000 0.000 0.335 147 F C 0.089 175.923 175.800 0.056 0.000 1.130 147 F CA -0.254 57.769 58.000 0.038 0.000 0.948 147 F CB 1.928 40.952 39.000 0.040 0.000 1.154 147 F HN 0.466 nan 8.300 nan 0.000 0.439 148 Q N 3.629 123.557 119.800 0.214 0.000 2.353 148 Q HA 0.282 4.622 4.340 0.000 0.000 0.268 148 Q C -1.525 174.583 176.000 0.180 0.000 1.045 148 Q CA -0.961 54.944 55.803 0.170 0.000 0.811 148 Q CB 1.854 30.634 28.738 0.071 0.000 1.305 148 Q HN 0.474 nan 8.270 nan 0.000 0.447 149 D N 3.970 124.489 120.400 0.198 0.000 2.383 149 D HA 0.181 4.821 4.640 0.000 0.000 0.252 149 D C 0.267 176.633 176.300 0.110 0.000 1.166 149 D CA 0.009 54.089 54.000 0.134 0.000 0.879 149 D CB 0.515 41.397 40.800 0.137 0.000 1.164 149 D HN 0.573 nan 8.370 nan 0.000 0.462 150 I N -0.227 120.391 120.570 0.081 0.000 2.696 150 I HA 0.181 4.351 4.170 0.000 0.000 0.284 150 I C 0.870 177.054 176.117 0.111 0.000 1.129 150 I CA -0.821 60.546 61.300 0.112 0.000 1.410 150 I CB 0.685 38.780 38.000 0.157 0.000 1.399 150 I HN 0.202 nan 8.210 nan 0.000 0.579 151 R N 4.473 125.059 120.500 0.144 0.000 2.481 151 R HA 0.058 4.398 4.340 0.000 0.000 0.291 151 R C 0.968 177.370 176.300 0.170 0.000 0.934 151 R CA 1.260 57.445 56.100 0.142 0.000 1.116 151 R CB -0.379 30.010 30.300 0.149 0.000 0.895 151 R HN 1.233 nan 8.270 nan 0.000 0.410 152 G N 2.934 111.805 108.800 0.118 0.000 2.195 152 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 152 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 152 G C -0.421 174.465 174.900 -0.024 0.000 0.984 152 G CA 0.223 45.395 45.100 0.121 0.000 0.633 152 G HN 0.552 nan 8.290 nan 0.000 0.525 153 K N -0.370 119.981 120.400 -0.083 0.000 2.324 153 K HA 0.668 4.988 4.320 0.000 0.000 0.253 153 K C 0.813 177.411 176.600 -0.004 0.000 0.932 153 K CA -0.841 55.340 56.287 -0.178 0.000 0.799 153 K CB 1.492 33.835 32.500 -0.262 0.000 1.154 153 K HN 0.211 nan 8.250 nan 0.000 0.425 154 Y N 0.318 120.528 120.300 -0.150 0.000 2.796 154 Y HA -0.462 4.088 4.550 0.000 0.000 0.472 154 Y C 1.852 177.663 175.900 -0.149 0.000 1.126 154 Y CA 2.097 60.105 58.100 -0.152 0.000 2.780 154 Y CB -1.538 36.809 38.460 -0.188 0.000 1.152 154 Y HN 0.780 nan 8.280 nan 0.000 0.616 155 G N -0.241 108.544 108.800 -0.026 0.000 2.484 155 G HA2 0.059 4.019 3.960 0.000 0.000 0.218 155 G HA3 0.059 4.019 3.960 0.000 0.000 0.218 155 G C 0.576 175.527 174.900 0.086 0.000 1.130 155 G CA 0.876 45.913 45.100 -0.104 0.000 0.784 155 G HN 0.330 nan 8.290 nan 0.000 0.543 156 S N -0.013 115.745 115.700 0.097 0.000 2.592 156 S HA 0.355 4.825 4.470 0.000 0.000 0.271 156 S C 0.316 174.955 174.600 0.064 0.000 1.326 156 S CA -0.389 57.872 58.200 0.101 0.000 1.024 156 S CB 1.316 64.575 63.200 0.099 0.000 0.921 156 S HN 0.434 nan 8.310 nan 0.000 0.527 157 Q N 0.051 119.888 119.800 0.062 0.000 2.185 157 Q HA 0.633 4.973 4.340 0.000 0.000 0.225 157 Q C 0.614 176.650 176.000 0.060 0.000 0.983 157 Q CA -0.016 55.818 55.803 0.050 0.000 0.950 157 Q CB 1.115 29.879 28.738 0.044 0.000 1.176 157 Q HN 0.971 nan 8.270 nan 0.000 0.510 158 G N 0.706 109.540 108.800 0.057 0.000 2.610 158 G HA2 -0.151 3.809 3.960 0.000 0.000 0.304 158 G HA3 -0.151 3.809 3.960 0.000 0.000 0.304 158 G C -1.458 173.493 174.900 0.086 0.000 1.309 158 G CA -0.738 44.404 45.100 0.070 0.000 0.906 158 G HN 0.586 nan 8.290 nan 0.000 0.521 159 D N -0.348 120.114 120.400 0.103 0.000 2.193 159 D HA 0.493 5.133 4.640 0.000 0.000 0.249 159 D C -0.533 175.888 176.300 0.201 0.000 1.034 159 D CA 0.060 54.134 54.000 0.123 0.000 0.902 159 D CB 1.733 42.588 40.800 0.092 0.000 1.182 159 D HN 0.485 nan 8.370 nan 0.000 0.436 160 Y N 0.957 121.293 120.300 0.061 0.000 2.328 160 Y HA 0.391 4.941 4.550 0.000 0.000 0.337 160 Y C -0.924 175.038 175.900 0.102 0.000 1.008 160 Y CA -0.624 57.524 58.100 0.079 0.000 1.129 160 Y CB 1.006 39.496 38.460 0.050 0.000 1.185 160 Y HN 0.031 nan 8.280 nan 0.000 0.476 161 V N 8.070 127.752 119.914 -0.386 0.000 2.357 161 V HA 0.132 4.252 4.120 0.000 0.000 0.281 161 V C -0.087 175.690 176.094 -0.527 0.000 1.015 161 V CA -0.971 61.127 62.300 -0.338 0.000 0.827 161 V CB 0.927 32.730 31.823 -0.033 0.000 1.018 161 V HN 0.892 nan 8.190 nan 0.000 0.432 162 M N 5.932 125.103 119.600 -0.716 0.000 2.366 162 M HA 0.008 4.488 4.480 0.000 0.000 0.414 162 M C 1.049 177.232 176.300 -0.196 0.000 1.578 162 M CA 1.396 56.370 55.300 -0.542 0.000 0.892 162 M CB -0.950 31.014 32.600 -1.059 0.000 2.082 162 M HN 1.292 nan 8.290 nan 0.000 0.498 163 T N 2.973 117.520 114.554 -0.012 0.000 3.433 163 T HA -0.251 4.099 4.350 0.000 0.000 0.412 163 T C 0.176 174.958 174.700 0.137 0.000 0.768 163 T CA 0.915 62.892 62.100 -0.204 0.000 2.077 163 T CB -1.467 67.125 68.868 -0.460 0.000 1.700 163 T HN 0.958 nan 8.240 nan 0.000 0.666 164 R N 1.808 122.464 120.500 0.260 0.000 2.763 164 R HA 0.072 4.412 4.340 0.000 0.000 0.348 164 R C -1.990 174.465 176.300 0.258 0.000 0.826 164 R CA -0.922 55.316 56.100 0.230 0.000 1.109 164 R CB 0.086 30.532 30.300 0.243 0.000 0.889 164 R HN 0.402 nan 8.270 nan 0.000 0.402 165 P HA 0.001 nan 4.420 nan 0.000 0.265 165 P C -2.292 175.089 177.300 0.134 0.000 1.187 165 P CA -0.769 62.405 63.100 0.123 0.000 0.766 165 P CB 0.215 31.931 31.700 0.027 0.000 0.820 166 P HA -0.054 nan 4.420 nan 0.000 0.272 166 P C -0.287 177.088 177.300 0.125 0.000 1.254 166 P CA 0.146 63.321 63.100 0.125 0.000 0.795 166 P CB 0.188 31.951 31.700 0.106 0.000 1.022 167 H N -0.531 118.566 119.070 0.045 0.000 3.004 167 H HA 0.422 4.979 4.556 0.000 0.000 0.316 167 H C 0.655 175.997 175.328 0.023 0.000 1.014 167 H CA 1.827 57.894 56.048 0.031 0.000 1.454 167 H CB -0.643 29.133 29.762 0.022 0.000 1.472 167 H HN 0.734 nan 8.280 nan 0.000 0.571 168 G N 4.203 112.750 108.800 -0.421 0.000 2.360 168 G HA2 -0.022 3.938 3.960 0.000 0.000 0.276 168 G HA3 -0.022 3.938 3.960 0.000 0.000 0.276 168 G C -2.043 172.739 174.900 -0.195 0.000 1.256 168 G CA -0.335 44.542 45.100 -0.371 0.000 0.890 168 G HN 0.418 nan 8.290 nan 0.000 0.486 169 P HA -0.020 nan 4.420 nan 0.000 0.217 169 P C 1.842 179.117 177.300 -0.042 0.000 1.148 169 P CA 1.019 64.075 63.100 -0.072 0.000 0.828 169 P CB 0.244 31.905 31.700 -0.066 0.000 0.783 170 L N -1.883 119.314 121.223 -0.042 0.000 2.418 170 L HA 0.086 4.426 4.340 0.000 0.000 0.218 170 L C 0.836 177.723 176.870 0.028 0.000 1.125 170 L CA 0.430 55.264 54.840 -0.010 0.000 0.835 170 L CB -0.265 41.763 42.059 -0.052 0.000 0.953 170 L HN 0.034 nan 8.230 nan 0.000 0.454 171 N N -0.451 118.269 118.700 0.034 0.000 2.621 171 N HA 0.150 4.890 4.740 0.000 0.000 0.271 171 N C -2.250 173.348 175.510 0.148 0.000 1.181 171 N CA -1.485 51.618 53.050 0.088 0.000 0.805 171 N CB 1.388 39.942 38.487 0.111 0.000 1.351 171 N HN -0.256 nan 8.380 nan 0.000 0.539 172 P HA 0.013 nan 4.420 nan 0.000 0.235 172 P C 0.520 177.930 177.300 0.184 0.000 1.177 172 P CA 0.444 63.647 63.100 0.172 0.000 0.785 172 P CB -0.100 31.654 31.700 0.090 0.000 0.885 173 T N -1.247 113.380 114.554 0.121 0.000 2.791 173 T HA 0.012 4.362 4.350 0.000 0.000 0.323 173 T C 1.227 175.920 174.700 -0.012 0.000 1.082 173 T CA -0.037 62.098 62.100 0.058 0.000 1.084 173 T CB 0.489 69.391 68.868 0.056 0.000 0.992 173 T HN -0.152 nan 8.240 nan 0.000 0.547 174 K N 0.913 121.284 120.400 -0.048 0.000 2.486 174 K HA 0.090 4.410 4.320 0.000 0.000 0.194 174 K C 1.195 177.731 176.600 -0.108 0.000 1.033 174 K CA 0.517 56.732 56.287 -0.120 0.000 1.004 174 K CB -0.607 31.846 32.500 -0.078 0.000 0.798 174 K HN 0.937 nan 8.250 nan 0.000 0.495 175 T N -0.728 113.805 114.554 -0.036 0.000 2.926 175 T HA 0.594 4.944 4.350 0.000 0.000 0.289 175 T C -0.585 174.145 174.700 0.049 0.000 1.054 175 T CA -0.953 61.150 62.100 0.005 0.000 1.015 175 T CB 2.607 71.496 68.868 0.035 0.000 1.167 175 T HN 0.077 nan 8.240 nan 0.000 0.526 176 D N -1.290 119.155 120.400 0.074 0.000 2.809 176 D HA 0.161 4.801 4.640 0.000 0.000 0.336 176 D C 0.295 176.664 176.300 0.116 0.000 1.367 176 D CA -0.639 53.427 54.000 0.110 0.000 0.815 176 D CB 0.072 40.944 40.800 0.120 0.000 1.381 176 D HN 0.355 nan 8.370 nan 0.000 0.471 177 E N -0.534 119.740 120.200 0.123 0.000 2.409 177 E HA -0.023 4.327 4.350 0.000 0.000 0.198 177 E C 1.233 177.876 176.600 0.072 0.000 1.024 177 E CA 1.080 57.540 56.400 0.101 0.000 0.861 177 E CB -0.236 29.501 29.700 0.062 0.000 0.788 177 E HN 0.548 nan 8.360 nan 0.000 0.521 178 T N 0.441 115.044 114.554 0.082 0.000 2.894 178 T HA -0.085 4.265 4.350 0.000 0.000 0.258 178 T C 2.127 176.921 174.700 0.157 0.000 1.043 178 T CA 1.769 63.930 62.100 0.103 0.000 1.141 178 T CB -0.149 68.778 68.868 0.097 0.000 0.873 178 T HN 0.391 nan 8.240 nan 0.000 0.449 179 T N 0.849 115.479 114.554 0.126 0.000 2.770 179 T HA -0.109 4.241 4.350 0.000 0.000 0.263 179 T C 1.586 176.406 174.700 0.200 0.000 1.039 179 T CA 1.152 63.336 62.100 0.140 0.000 1.142 179 T CB -0.583 68.311 68.868 0.043 0.000 0.868 179 T HN 0.113 nan 8.240 nan 0.000 0.435 180 D N 2.208 122.696 120.400 0.147 0.000 2.133 180 D HA -0.043 4.597 4.640 0.000 0.000 0.195 180 D C 2.431 178.819 176.300 0.146 0.000 0.997 180 D CA 1.567 55.650 54.000 0.137 0.000 0.840 180 D CB -0.683 40.186 40.800 0.117 0.000 0.947 180 D HN 0.578 nan 8.370 nan 0.000 0.452 181 A N -0.151 122.757 122.820 0.147 0.000 1.898 181 A HA -0.154 4.166 4.320 0.000 0.000 0.216 181 A C 2.214 179.889 177.584 0.151 0.000 1.181 181 A CA 1.351 53.457 52.037 0.116 0.000 0.620 181 A CB -1.222 17.834 19.000 0.095 0.000 0.819 181 A HN 0.382 nan 8.150 nan 0.000 0.442 182 W N 1.264 122.602 121.300 0.064 0.000 2.333 182 W HA -0.204 4.456 4.660 0.000 0.000 0.316 182 W C 1.706 178.288 176.519 0.105 0.000 1.215 182 W CA 1.999 59.414 57.345 0.117 0.000 1.278 182 W CB -0.031 29.504 29.460 0.124 0.000 1.154 182 W HN 0.407 nan 8.180 nan 0.000 0.486 183 D N -0.804 119.901 120.400 0.508 0.000 2.104 183 D HA -0.202 4.438 4.640 0.000 0.000 0.194 183 D C 2.039 178.450 176.300 0.185 0.000 0.994 183 D CA 2.325 56.552 54.000 0.377 0.000 0.830 183 D CB -1.033 39.928 40.800 0.269 0.000 0.959 183 D HN 0.170 nan 8.370 nan 0.000 0.452 184 T N 1.036 115.655 114.554 0.108 0.000 2.622 184 T HA -0.114 4.236 4.350 0.000 0.000 0.266 184 T C 2.325 177.019 174.700 -0.011 0.000 1.047 184 T CA 1.177 63.306 62.100 0.049 0.000 1.159 184 T CB -0.461 68.419 68.868 0.019 0.000 0.863 184 T HN -0.039 nan 8.240 nan 0.000 0.422 185 V N 1.774 121.593 119.914 -0.158 0.000 2.332 185 V HA -0.227 3.893 4.120 0.000 0.000 0.248 185 V C 2.361 178.081 176.094 -0.623 0.000 1.055 185 V CA 2.170 64.243 62.300 -0.378 0.000 1.038 185 V CB -0.739 30.791 31.823 -0.490 0.000 0.651 185 V HN 0.511 nan 8.190 nan 0.000 0.450 186 D N -1.308 118.648 120.400 -0.739 0.000 2.092 186 D HA -0.276 4.365 4.640 0.000 0.000 0.193 186 D C 1.865 178.076 176.300 -0.147 0.000 0.994 186 D CA 1.948 55.596 54.000 -0.585 0.000 0.828 186 D CB -0.255 40.477 40.800 -0.113 0.000 0.963 186 D HN 0.550 nan 8.370 nan 0.000 0.450 187 W N 0.787 122.011 121.300 -0.127 0.000 2.354 187 W HA -0.123 4.537 4.660 0.000 0.000 0.315 187 W C 2.149 178.613 176.519 -0.091 0.000 1.206 187 W CA 1.371 58.694 57.345 -0.036 0.000 1.290 187 W CB -0.458 28.994 29.460 -0.014 0.000 1.152 187 W HN 0.005 nan 8.180 nan 0.000 0.489 188 L N 0.472 121.834 121.223 0.231 0.000 2.021 188 L HA -0.269 4.071 4.340 0.000 0.000 0.215 188 L C 2.321 179.068 176.870 -0.206 0.000 1.074 188 L CA 2.004 56.889 54.840 0.074 0.000 0.760 188 L CB -1.576 40.507 42.059 0.041 0.000 0.889 188 L HN 0.138 nan 8.230 nan 0.000 0.433 189 V N -4.490 115.229 119.914 -0.325 0.000 3.510 189 V HA -0.129 3.991 4.120 0.000 0.000 0.270 189 V C 1.217 177.027 176.094 -0.473 0.000 1.201 189 V CA 1.135 63.191 62.300 -0.407 0.000 1.166 189 V CB -0.928 30.608 31.823 -0.478 0.000 0.825 189 V HN 0.502 nan 8.190 nan 0.000 0.484 190 H N -0.251 118.632 119.070 -0.313 0.000 3.233 190 H HA 0.388 4.944 4.556 0.000 0.000 0.263 190 H C 0.797 175.836 175.328 -0.480 0.000 1.168 190 H CA 0.420 56.272 56.048 -0.326 0.000 1.159 190 H CB 0.562 30.164 29.762 -0.267 0.000 1.593 190 H HN 0.517 nan 8.280 nan 0.000 0.580 191 N N -0.329 118.014 118.700 -0.595 0.000 2.082 191 N HA 0.107 4.847 4.740 0.000 0.000 0.228 191 N C -1.061 174.158 175.510 -0.485 0.000 1.341 191 N CA 0.093 52.679 53.050 -0.773 0.000 0.873 191 N CB 2.284 39.719 38.487 -1.755 0.000 1.137 191 N HN -0.116 nan 8.380 nan 0.000 0.505 192 V N 2.164 121.890 119.914 -0.313 0.000 2.239 192 V HA 0.292 4.412 4.120 0.000 0.000 0.267 192 V C -1.763 174.259 176.094 -0.120 0.000 1.056 192 V CA -1.274 60.938 62.300 -0.147 0.000 0.830 192 V CB 1.322 33.099 31.823 -0.077 0.000 1.090 192 V HN -0.043 nan 8.190 nan 0.000 0.459 193 P HA -0.092 nan 4.420 nan 0.000 0.221 193 P C 0.961 178.223 177.300 -0.063 0.000 1.145 193 P CA 0.923 63.976 63.100 -0.078 0.000 0.795 193 P CB 0.373 32.036 31.700 -0.061 0.000 0.775 194 E N -0.999 119.169 120.200 -0.054 0.000 2.489 194 E HA 0.043 4.393 4.350 0.000 0.000 0.193 194 E C 0.713 177.275 176.600 -0.064 0.000 1.057 194 E CA 0.069 56.441 56.400 -0.046 0.000 0.866 194 E CB -0.281 29.404 29.700 -0.026 0.000 0.916 194 E HN 0.115 nan 8.360 nan 0.000 0.500 195 S N 1.270 116.922 115.700 -0.081 0.000 2.585 195 S HA 0.134 4.604 4.470 0.000 0.000 0.277 195 S C 0.794 175.328 174.600 -0.111 0.000 1.241 195 S CA -0.783 57.355 58.200 -0.104 0.000 1.041 195 S CB 0.686 63.818 63.200 -0.113 0.000 0.987 195 S HN 0.185 nan 8.310 nan 0.000 0.512 196 N N 2.531 121.156 118.700 -0.124 0.000 2.461 196 N HA 0.176 4.916 4.740 0.000 0.000 0.188 196 N C 1.267 176.704 175.510 -0.121 0.000 1.134 196 N CA 0.729 53.711 53.050 -0.115 0.000 0.878 196 N CB -0.399 38.017 38.487 -0.119 0.000 0.972 196 N HN 1.161 nan 8.380 nan 0.000 0.456 197 G N -0.013 108.701 108.800 -0.143 0.000 2.217 197 G HA2 -0.291 3.669 3.960 0.000 0.000 0.246 197 G HA3 -0.291 3.669 3.960 0.000 0.000 0.246 197 G C -0.135 174.666 174.900 -0.166 0.000 0.990 197 G CA 0.024 45.025 45.100 -0.165 0.000 0.627 197 G HN 0.483 nan 8.290 nan 0.000 0.522 198 R N 0.259 120.667 120.500 -0.153 0.000 2.410 198 R HA 0.640 4.980 4.340 0.000 0.000 0.288 198 R C -0.614 175.588 176.300 -0.164 0.000 1.051 198 R CA -0.370 55.639 56.100 -0.152 0.000 1.021 198 R CB 2.049 32.264 30.300 -0.141 0.000 1.032 198 R HN 0.227 nan 8.270 nan 0.000 0.481 199 V N 0.823 120.639 119.914 -0.163 0.000 2.709 199 V HA 0.578 4.698 4.120 0.000 0.000 0.308 199 V C 0.237 176.230 176.094 -0.167 0.000 1.062 199 V CA -0.944 61.265 62.300 -0.152 0.000 0.901 199 V CB 2.234 33.962 31.823 -0.158 0.000 1.003 199 V HN 0.966 nan 8.190 nan 0.000 0.425 200 G N 3.328 112.049 108.800 -0.131 0.000 2.461 200 G HA2 0.716 4.676 3.960 0.000 0.000 0.323 200 G HA3 0.716 4.676 3.960 0.000 0.000 0.323 200 G C -1.021 173.897 174.900 0.029 0.000 1.229 200 G CA -0.628 44.360 45.100 -0.186 0.000 0.941 200 G HN 0.539 nan 8.290 nan 0.000 0.477 201 M N 1.594 121.229 119.600 0.057 0.000 2.364 201 M HA 0.590 5.070 4.480 0.000 0.000 0.334 201 M C -0.134 176.274 176.300 0.179 0.000 1.107 201 M CA -0.427 54.917 55.300 0.073 0.000 0.988 201 M CB 2.564 35.166 32.600 0.005 0.000 1.673 201 M HN 0.615 nan 8.290 nan 0.000 0.441 202 T N 1.467 116.077 114.554 0.094 0.000 2.731 202 T HA 0.903 5.254 4.350 0.000 0.000 0.300 202 T C -1.315 173.418 174.700 0.054 0.000 1.283 202 T CA 0.044 62.207 62.100 0.105 0.000 1.005 202 T CB 2.047 71.017 68.868 0.170 0.000 1.420 202 T HN 0.999 nan 8.240 nan 0.000 0.503 203 G N 0.727 109.580 108.800 0.088 0.000 2.329 203 G HA2 0.413 4.373 3.960 0.000 0.000 0.308 203 G HA3 0.413 4.373 3.960 0.000 0.000 0.308 203 G C -1.289 173.704 174.900 0.155 0.000 1.587 203 G CA -0.023 45.154 45.100 0.128 0.000 0.978 203 G HN 0.757 nan 8.290 nan 0.000 0.685 204 S N 0.010 115.821 115.700 0.184 0.000 2.509 204 S HA 0.854 5.324 4.470 0.000 0.000 0.297 204 S C 0.938 175.710 174.600 0.287 0.000 1.118 204 S CA 1.174 59.474 58.200 0.167 0.000 1.074 204 S CB 1.317 64.552 63.200 0.059 0.000 1.038 204 S HN 2.244 nan 8.310 nan 0.000 0.498 205 S N 2.049 117.943 115.700 0.323 0.000 4.069 205 S HA -0.301 4.169 4.470 0.000 0.000 0.626 205 S C 0.776 175.660 174.600 0.473 0.000 2.000 205 S CA 1.211 59.690 58.200 0.465 0.000 4.174 205 S CB -1.818 61.741 63.200 0.599 0.000 0.210 205 S HN 0.958 nan 8.310 nan 0.000 0.602 206 Y N 2.310 122.864 120.300 0.423 0.000 2.256 206 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 206 Y C 2.410 178.563 175.900 0.422 0.000 1.155 206 Y CA 2.286 60.629 58.100 0.404 0.000 1.203 206 Y CB -0.136 38.514 38.460 0.317 0.000 0.980 206 Y HN 0.568 nan 8.280 nan 0.000 0.530 207 E N -1.156 119.398 120.200 0.591 0.000 2.347 207 E HA -0.109 4.241 4.350 0.000 0.000 0.196 207 E C 2.113 178.902 176.600 0.315 0.000 1.008 207 E CA 0.641 57.291 56.400 0.416 0.000 0.852 207 E CB -0.123 29.803 29.700 0.377 0.000 0.783 207 E HN 0.598 nan 8.360 nan 0.000 0.505 208 G N 0.530 109.531 108.800 0.335 0.000 2.595 208 G HA2 -0.156 3.804 3.960 0.000 0.000 0.213 208 G HA3 -0.156 3.804 3.960 0.000 0.000 0.213 208 G C 1.228 176.295 174.900 0.278 0.000 1.141 208 G CA -0.232 45.022 45.100 0.256 0.000 0.806 208 G HN 0.258 nan 8.290 nan 0.000 0.530 209 F N 3.193 123.255 119.950 0.187 0.000 2.186 209 F HA -0.097 4.430 4.527 0.000 0.000 0.299 209 F C 2.707 178.593 175.800 0.143 0.000 1.090 209 F CA 2.156 60.234 58.000 0.131 0.000 1.307 209 F CB -0.535 38.451 39.000 -0.023 0.000 1.019 209 F HN 0.132 nan 8.300 nan 0.000 0.489 210 T N -1.973 112.535 114.554 -0.077 0.000 2.962 210 T HA -0.092 4.258 4.350 0.000 0.000 0.270 210 T C 1.906 176.547 174.700 -0.098 0.000 1.088 210 T CA 1.279 63.279 62.100 -0.168 0.000 1.127 210 T CB -1.156 67.778 68.868 0.110 0.000 0.883 210 T HN 0.189 nan 8.240 nan 0.000 0.493 211 V N 1.184 121.090 119.914 -0.014 0.000 2.453 211 V HA -0.069 4.051 4.120 0.000 0.000 0.247 211 V C 2.883 178.968 176.094 -0.015 0.000 1.048 211 V CA 0.994 63.291 62.300 -0.004 0.000 1.049 211 V CB -0.582 31.250 31.823 0.015 0.000 0.672 211 V HN 0.385 nan 8.190 nan 0.000 0.457 212 V N -0.537 119.384 119.914 0.012 0.000 2.358 212 V HA -0.250 3.870 4.120 0.000 0.000 0.246 212 V C 2.550 178.663 176.094 0.031 0.000 1.047 212 V CA 1.673 64.032 62.300 0.099 0.000 1.035 212 V CB -0.634 31.337 31.823 0.246 0.000 0.658 212 V HN 0.388 nan 8.190 nan 0.000 0.452 213 M N 0.178 119.702 119.600 -0.127 0.000 2.108 213 M HA -0.140 4.340 4.480 0.000 0.000 0.261 213 M C 2.426 178.720 176.300 -0.010 0.000 1.066 213 M CA 2.217 57.447 55.300 -0.117 0.000 1.107 213 M CB -1.447 30.976 32.600 -0.296 0.000 1.356 213 M HN 0.422 nan 8.290 nan 0.000 0.406 214 A N 0.027 122.842 122.820 -0.009 0.000 1.972 214 A HA -0.103 4.217 4.320 0.000 0.000 0.219 214 A C 2.226 179.852 177.584 0.070 0.000 1.169 214 A CA 1.182 53.246 52.037 0.044 0.000 0.635 214 A CB -0.874 18.140 19.000 0.024 0.000 0.810 214 A HN 0.484 nan 8.150 nan 0.000 0.446 215 L N -0.416 120.843 121.223 0.061 0.000 2.465 215 L HA -0.032 4.308 4.340 0.000 0.000 0.224 215 L C 2.084 179.020 176.870 0.110 0.000 1.145 215 L CA 0.152 55.042 54.840 0.083 0.000 0.834 215 L CB -0.273 41.843 42.059 0.095 0.000 0.944 215 L HN 0.380 nan 8.230 nan 0.000 0.451 216 L N -0.809 120.478 121.223 0.108 0.000 2.141 216 L HA -0.077 4.263 4.340 0.000 0.000 0.209 216 L C 0.313 177.249 176.870 0.109 0.000 1.094 216 L CA 0.916 55.821 54.840 0.110 0.000 0.763 216 L CB -0.031 42.088 42.059 0.100 0.000 0.908 216 L HN 0.207 nan 8.230 nan 0.000 0.437 217 D N -0.782 119.695 120.400 0.129 0.000 2.826 217 D HA 0.160 4.800 4.640 0.000 0.000 0.239 217 D C -2.594 173.864 176.300 0.263 0.000 1.329 217 D CA -1.171 52.924 54.000 0.158 0.000 0.854 217 D CB 1.130 42.001 40.800 0.118 0.000 1.494 217 D HN -0.145 nan 8.370 nan 0.000 0.540 218 P HA 0.145 nan 4.420 nan 0.000 0.276 218 P C -0.167 177.263 177.300 0.216 0.000 1.244 218 P CA -0.357 62.860 63.100 0.195 0.000 0.801 218 P CB 0.831 32.577 31.700 0.077 0.000 1.006 219 H N 3.528 122.491 119.070 -0.178 0.000 2.652 219 H HA 0.099 4.655 4.556 0.000 0.000 0.349 219 H C -1.310 173.842 175.328 -0.293 0.000 1.099 219 H CA -1.492 54.168 56.048 -0.647 0.000 1.417 219 H CB 0.913 30.022 29.762 -1.087 0.000 1.457 219 H HN 0.217 nan 8.280 nan 0.000 0.568 220 P HA -0.129 nan 4.420 nan 0.000 0.222 220 P C 0.813 178.071 177.300 -0.069 0.000 1.142 220 P CA 1.409 64.388 63.100 -0.202 0.000 0.788 220 P CB 0.036 31.581 31.700 -0.258 0.000 0.767 221 A N -0.536 122.366 122.820 0.136 0.000 2.072 221 A HA 0.016 4.336 4.320 0.000 0.000 0.216 221 A C 1.208 178.740 177.584 -0.085 0.000 1.156 221 A CA 0.057 52.097 52.037 0.005 0.000 0.701 221 A CB -0.951 18.002 19.000 -0.079 0.000 0.816 221 A HN 0.174 nan 8.150 nan 0.000 0.458 222 L N 1.200 122.377 121.223 -0.077 0.000 2.623 222 L HA 0.113 4.453 4.340 0.000 0.000 0.281 222 L C 0.816 177.600 176.870 -0.142 0.000 1.150 222 L CA 0.362 55.132 54.840 -0.117 0.000 0.965 222 L CB -0.169 41.838 42.059 -0.086 0.000 1.303 222 L HN 0.107 nan 8.230 nan 0.000 0.467 223 K N 3.444 123.732 120.400 -0.186 0.000 2.400 223 K HA 0.241 4.561 4.320 0.000 0.000 0.194 223 K C -0.188 176.208 176.600 -0.340 0.000 1.033 223 K CA 0.269 56.422 56.287 -0.223 0.000 1.021 223 K CB 0.587 32.984 32.500 -0.171 0.000 0.808 223 K HN 0.418 nan 8.250 nan 0.000 0.505 224 V N -0.368 119.321 119.914 -0.376 0.000 3.108 224 V HA 0.579 4.699 4.120 0.000 0.000 0.287 224 V C -2.111 173.764 176.094 -0.364 0.000 1.436 224 V CA -0.792 61.226 62.300 -0.470 0.000 1.001 224 V CB 2.111 33.486 31.823 -0.747 0.000 1.141 224 V HN 0.122 nan 8.190 nan 0.000 0.443 225 A N 4.215 126.961 122.820 -0.122 0.000 2.414 225 A HA 1.026 5.346 4.320 0.000 0.000 0.306 225 A C -0.369 177.333 177.584 0.196 0.000 1.054 225 A CA -0.127 51.935 52.037 0.042 0.000 0.724 225 A CB 2.078 21.038 19.000 -0.067 0.000 1.267 225 A HN 2.280 nan 8.150 nan 0.000 0.418 226 A N 2.949 125.925 122.820 0.260 0.000 3.082 226 A HA 0.696 5.016 4.320 0.000 0.000 0.328 226 A C -3.067 174.469 177.584 -0.079 0.000 1.089 226 A CA -1.316 50.765 52.037 0.074 0.000 0.802 226 A CB 0.255 19.304 19.000 0.083 0.000 1.138 226 A HN 0.449 nan 8.150 nan 0.000 0.474 227 P HA 0.276 nan 4.420 nan 0.000 0.271 227 P C -0.495 176.816 177.300 0.018 0.000 1.216 227 P CA 0.458 63.512 63.100 -0.076 0.000 0.771 227 P CB 0.670 32.273 31.700 -0.162 0.000 0.864 228 E N 1.240 121.488 120.200 0.079 0.000 2.165 228 E HA 0.276 4.626 4.350 0.000 0.000 0.266 228 E C -0.334 176.353 176.600 0.145 0.000 0.889 228 E CA -0.769 55.675 56.400 0.074 0.000 0.756 228 E CB 0.787 30.496 29.700 0.016 0.000 1.131 228 E HN 0.261 nan 8.360 nan 0.000 0.411 229 S N 2.005 117.807 115.700 0.171 0.000 3.247 229 S HA -0.148 4.322 4.470 0.000 0.000 0.341 229 S C -2.380 172.406 174.600 0.311 0.000 0.924 229 S CA -0.022 58.319 58.200 0.236 0.000 1.323 229 S CB -1.648 61.658 63.200 0.177 0.000 0.918 229 S HN 0.421 nan 8.310 nan 0.000 0.523 230 P HA 0.373 nan 4.420 nan 0.000 0.282 230 P C 0.043 177.533 177.300 0.318 0.000 1.249 230 P CA -0.688 62.624 63.100 0.353 0.000 0.806 230 P CB 0.531 32.481 31.700 0.417 0.000 0.984 231 M N 2.722 122.491 119.600 0.281 0.000 2.350 231 M HA 0.049 4.529 4.480 0.000 0.000 0.338 231 M C 0.634 177.088 176.300 0.257 0.000 1.559 231 M CA 0.209 55.589 55.300 0.134 0.000 1.217 231 M CB 0.100 32.631 32.600 -0.116 0.000 1.808 231 M HN 0.167 nan 8.290 nan 0.000 0.458 232 V N 0.657 120.718 119.914 0.246 0.000 2.948 232 V HA 0.126 4.246 4.120 0.000 0.000 0.234 232 V C 0.227 176.474 176.094 0.255 0.000 1.205 232 V CA 0.784 63.267 62.300 0.305 0.000 1.234 232 V CB 0.564 32.590 31.823 0.338 0.000 1.020 232 V HN 0.700 nan 8.190 nan 0.000 0.491 233 D N 0.157 120.663 120.400 0.176 0.000 2.378 233 D HA 0.320 4.960 4.640 0.000 0.000 0.265 233 D C 1.114 177.384 176.300 -0.050 0.000 1.229 233 D CA 0.399 54.438 54.000 0.064 0.000 0.914 233 D CB 1.348 42.065 40.800 -0.138 0.000 1.140 233 D HN 0.204 nan 8.370 nan 0.000 0.516 234 G N 1.445 110.312 108.800 0.111 0.000 2.501 234 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 234 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 234 G C 1.152 176.104 174.900 0.087 0.000 1.114 234 G CA 0.342 45.470 45.100 0.047 0.000 0.757 234 G HN 0.527 nan 8.290 nan 0.000 0.559 235 W N -0.251 120.935 121.300 -0.190 0.000 2.644 235 W HA 0.236 4.896 4.660 0.000 0.000 0.279 235 W C 2.433 178.597 176.519 -0.592 0.000 1.164 235 W CA 0.168 57.307 57.345 -0.344 0.000 1.457 235 W CB 0.168 29.308 29.460 -0.533 0.000 1.087 235 W HN -0.025 nan 8.180 nan 0.000 0.573 236 M N 0.152 119.470 119.600 -0.471 0.000 2.108 236 M HA 0.022 4.502 4.480 0.000 0.000 0.261 236 M C 1.539 176.856 176.300 -1.638 0.000 1.066 236 M CA 2.084 56.612 55.300 -1.286 0.000 1.107 236 M CB -1.524 29.956 32.600 -1.866 0.000 1.356 236 M HN 0.315 nan 8.290 nan 0.000 0.406 237 G N -1.717 106.326 108.800 -1.262 0.000 4.887 237 G HA2 0.022 3.982 3.960 0.000 0.000 0.220 237 G HA3 0.022 3.982 3.960 0.000 0.000 0.220 237 G C 0.113 174.737 174.900 -0.460 0.000 0.775 237 G CA -0.263 44.247 45.100 -0.984 0.000 1.041 237 G HN 0.216 nan 8.290 nan 0.000 0.627 238 D N 0.138 120.397 120.400 -0.234 0.000 2.525 238 D HA 0.137 4.777 4.640 0.000 0.000 0.261 238 D C 1.125 177.375 176.300 -0.084 0.000 1.379 238 D CA 0.272 54.241 54.000 -0.052 0.000 1.074 238 D CB 0.651 41.415 40.800 -0.059 0.000 0.939 238 D HN -0.020 nan 8.370 nan 0.000 0.272 239 D N -1.296 118.879 120.400 -0.375 0.000 2.394 239 D HA 0.058 4.698 4.640 0.000 0.000 0.226 239 D C 2.160 178.087 176.300 -0.622 0.000 0.990 239 D CA 0.240 53.855 54.000 -0.641 0.000 0.902 239 D CB 0.464 40.620 40.800 -1.075 0.000 1.038 239 D HN 0.285 nan 8.370 nan 0.000 0.499 240 W N 0.077 121.263 121.300 -0.190 0.000 2.587 240 W HA 0.125 4.785 4.660 0.000 0.000 0.307 240 W C 0.581 176.711 176.519 -0.649 0.000 1.138 240 W CA -0.354 56.759 57.345 -0.387 0.000 1.450 240 W CB -0.255 29.084 29.460 -0.202 0.000 1.149 240 W HN -0.244 nan 8.180 nan 0.000 0.512 241 F N -0.852 119.059 119.950 -0.065 0.000 2.556 241 F HA 0.420 4.947 4.527 0.000 0.000 0.327 241 F C -0.105 175.546 175.800 -0.249 0.000 1.059 241 F CA -1.092 56.730 58.000 -0.298 0.000 0.953 241 F CB 1.011 39.485 39.000 -0.875 0.000 1.227 241 F HN -0.237 nan 8.300 nan 0.000 0.478 242 H N 1.631 120.574 119.070 -0.212 0.000 2.887 242 H HA 0.184 4.740 4.556 0.000 0.000 0.300 242 H C -1.123 173.945 175.328 -0.434 0.000 1.038 242 H CA -0.808 55.069 56.048 -0.286 0.000 1.352 242 H CB 0.574 30.378 29.762 0.071 0.000 1.473 242 H HN 0.672 nan 8.280 nan 0.000 0.503 243 Y N 1.763 121.650 120.300 -0.688 0.000 3.589 243 Y HA -0.305 4.245 4.550 0.000 0.000 0.218 243 Y C 1.529 176.752 175.900 -1.129 0.000 1.234 243 Y CA 1.518 59.100 58.100 -0.865 0.000 1.576 243 Y CB -1.685 36.453 38.460 -0.536 0.000 1.487 243 Y HN 1.106 nan 8.280 nan 0.000 0.616 244 G N -2.126 105.673 108.800 -1.669 0.000 2.241 244 G HA2 -0.033 3.927 3.960 0.000 0.000 0.244 244 G HA3 -0.033 3.927 3.960 0.000 0.000 0.244 244 G C 0.393 174.986 174.900 -0.511 0.000 0.998 244 G CA -0.086 44.063 45.100 -1.585 0.000 0.621 244 G HN 1.566 nan 8.290 nan 0.000 0.519 245 A N 0.411 123.090 122.820 -0.235 0.000 2.362 245 A HA 0.654 4.974 4.320 0.000 0.000 0.276 245 A C -0.154 177.624 177.584 0.323 0.000 1.153 245 A CA -0.242 51.847 52.037 0.087 0.000 0.813 245 A CB 0.307 19.308 19.000 0.000 0.000 1.081 245 A HN 1.298 nan 8.150 nan 0.000 0.507 246 F N 2.534 122.594 119.950 0.183 0.000 2.412 246 F HA 0.490 5.017 4.527 0.000 0.000 0.348 246 F C 0.616 176.279 175.800 -0.227 0.000 1.102 246 F CA -0.441 57.521 58.000 -0.062 0.000 1.196 246 F CB 0.808 39.820 39.000 0.019 0.000 1.144 246 F HN 0.566 nan 8.300 nan 0.000 0.541 247 R N 4.973 124.620 120.500 -1.422 0.000 2.198 247 R HA 0.173 4.513 4.340 0.000 0.000 0.339 247 R C 0.649 175.761 176.300 -1.981 0.000 1.020 247 R CA -0.236 54.966 56.100 -1.496 0.000 0.864 247 R CB 0.820 30.413 30.300 -1.178 0.000 1.105 247 R HN 0.750 nan 8.270 nan 0.000 0.463 248 Q N 1.221 120.094 119.800 -1.544 0.000 2.541 248 Q HA -0.046 4.294 4.340 0.000 0.000 0.215 248 Q C 1.553 176.558 176.000 -1.657 0.000 0.977 248 Q CA 0.762 55.693 55.803 -1.454 0.000 0.934 248 Q CB 0.381 28.401 28.738 -1.198 0.000 0.988 248 Q HN 0.897 nan 8.270 nan 0.000 0.521 249 G N 0.348 108.017 108.800 -1.886 0.000 2.511 249 G HA2 -0.114 3.846 3.960 0.000 0.000 0.217 249 G HA3 -0.114 3.846 3.960 0.000 0.000 0.217 249 G C 1.422 175.591 174.900 -1.218 0.000 1.133 249 G CA 0.561 44.398 45.100 -2.104 0.000 0.792 249 G HN 0.405 nan 8.290 nan 0.000 0.539 250 A N 1.018 123.160 122.820 -1.129 0.000 1.940 250 A HA 0.016 4.336 4.320 0.000 0.000 0.219 250 A C 2.064 178.958 177.584 -1.150 0.000 1.176 250 A CA 1.436 52.903 52.037 -0.950 0.000 0.631 250 A CB -0.566 17.954 19.000 -0.799 0.000 0.814 250 A HN 0.250 nan 8.150 nan 0.000 0.446 251 F N 0.824 120.340 119.950 -0.723 0.000 2.065 251 F HA -0.209 4.318 4.527 0.000 0.000 0.298 251 F C 2.285 177.924 175.800 -0.268 0.000 1.112 251 F CA 1.154 58.898 58.000 -0.427 0.000 1.212 251 F CB -1.088 37.853 39.000 -0.099 0.000 0.975 251 F HN 0.297 nan 8.300 nan 0.000 0.476 252 D N -1.217 119.149 120.400 -0.058 0.000 2.097 252 D HA -0.259 4.381 4.640 0.000 0.000 0.195 252 D C 2.196 178.487 176.300 -0.015 0.000 0.989 252 D CA 1.517 55.500 54.000 -0.028 0.000 0.827 252 D CB -0.693 40.063 40.800 -0.073 0.000 0.966 252 D HN 0.342 nan 8.370 nan 0.000 0.456 253 Y N 0.959 121.144 120.300 -0.192 0.000 2.151 253 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 253 Y C 2.234 178.235 175.900 0.168 0.000 1.166 253 Y CA 1.611 59.693 58.100 -0.030 0.000 1.163 253 Y CB -0.516 37.926 38.460 -0.029 0.000 0.974 253 Y HN -0.055 nan 8.280 nan 0.000 0.511 254 F N -1.173 118.861 119.950 0.141 0.000 2.046 254 F HA -0.319 4.208 4.527 0.000 0.000 0.297 254 F C 2.295 177.985 175.800 -0.182 0.000 1.123 254 F CA 1.137 59.142 58.000 0.009 0.000 1.199 254 F CB -0.778 38.225 39.000 0.005 0.000 0.972 254 F HN -0.133 nan 8.300 nan 0.000 0.474 255 V N -0.405 119.481 119.914 -0.048 0.000 2.407 255 V HA -0.286 3.834 4.120 0.000 0.000 0.248 255 V C 2.383 178.480 176.094 0.004 0.000 1.055 255 V CA 1.928 64.155 62.300 -0.122 0.000 1.049 255 V CB -0.944 30.829 31.823 -0.084 0.000 0.662 255 V HN 0.453 nan 8.190 nan 0.000 0.455 256 S N -0.492 115.199 115.700 -0.015 0.000 2.371 256 S HA -0.187 4.283 4.470 0.000 0.000 0.224 256 S C 1.877 176.447 174.600 -0.051 0.000 1.029 256 S CA 1.147 59.332 58.200 -0.025 0.000 0.978 256 S CB -0.199 62.981 63.200 -0.033 0.000 0.833 256 S HN 0.591 nan 8.310 nan 0.000 0.466 257 Q N -0.657 119.069 119.800 -0.123 0.000 2.319 257 Q HA 0.363 4.703 4.340 0.000 0.000 0.202 257 Q C 0.866 176.886 176.000 0.033 0.000 0.896 257 Q CA 0.266 55.991 55.803 -0.131 0.000 0.942 257 Q CB 0.525 29.024 28.738 -0.398 0.000 1.083 257 Q HN 0.606 nan 8.270 nan 0.000 0.510 258 M N -1.639 118.041 119.600 0.134 0.000 2.268 258 M HA 0.082 4.562 4.480 0.000 0.000 0.355 258 M C 1.130 177.631 176.300 0.335 0.000 0.938 258 M CA 0.138 55.607 55.300 0.282 0.000 1.025 258 M CB 1.017 33.836 32.600 0.365 0.000 1.773 258 M HN -0.121 nan 8.290 nan 0.000 0.613 259 T N 1.177 115.900 114.554 0.281 0.000 2.777 259 T HA 0.123 4.473 4.350 0.000 0.000 0.266 259 T C 0.680 175.438 174.700 0.097 0.000 1.040 259 T CA 1.278 63.543 62.100 0.275 0.000 1.141 259 T CB 0.091 69.076 68.868 0.195 0.000 0.868 259 T HN 0.462 nan 8.240 nan 0.000 0.444 260 A N -0.276 122.559 122.820 0.025 0.000 2.564 260 A HA 0.703 5.023 4.320 0.000 0.000 0.288 260 A C 1.000 178.512 177.584 -0.119 0.000 1.164 260 A CA -0.577 51.433 52.037 -0.045 0.000 0.712 260 A CB 0.945 19.904 19.000 -0.069 0.000 1.303 260 A HN 0.127 nan 8.150 nan 0.000 0.418 261 R N -0.136 120.280 120.500 -0.141 0.000 2.083 261 R HA -0.063 4.277 4.340 0.000 0.000 0.237 261 R C 1.187 177.209 176.300 -0.463 0.000 1.137 261 R CA 2.404 58.380 56.100 -0.207 0.000 0.951 261 R CB -0.539 29.679 30.300 -0.136 0.000 0.851 261 R HN 0.835 nan 8.270 nan 0.000 0.434 262 G N -0.758 107.722 108.800 -0.533 0.000 2.975 262 G HA2 0.366 4.326 3.960 0.000 0.000 0.159 262 G HA3 0.366 4.326 3.960 0.000 0.000 0.159 262 G C -0.385 173.959 174.900 -0.925 0.000 1.525 262 G CA -0.254 44.202 45.100 -1.074 0.000 1.075 262 G HN 0.448 nan 8.290 nan 0.000 0.574 263 G N -0.968 107.553 108.800 -0.465 0.000 2.491 263 G HA2 0.485 4.445 3.960 0.000 0.000 0.238 263 G HA3 0.485 4.445 3.960 0.000 0.000 0.238 263 G C 0.272 175.122 174.900 -0.084 0.000 1.277 263 G CA 0.647 45.697 45.100 -0.083 0.000 0.851 263 G HN 0.834 nan 8.290 nan 0.000 0.573 264 G N 0.306 109.089 108.800 -0.028 0.000 3.212 264 G HA2 0.639 4.599 3.960 0.000 0.000 0.188 264 G HA3 0.639 4.599 3.960 0.000 0.000 0.188 264 G C -0.700 174.206 174.900 0.011 0.000 1.254 264 G CA -0.661 44.434 45.100 -0.008 0.000 0.957 264 G HN 0.657 nan 8.290 nan 0.000 0.596 265 N N -1.228 117.483 118.700 0.018 0.000 2.853 265 N HA 0.381 5.121 4.740 0.000 0.000 0.258 265 N C -1.594 173.925 175.510 0.015 0.000 1.444 265 N CA -0.541 52.518 53.050 0.016 0.000 0.837 265 N CB 2.181 40.677 38.487 0.015 0.000 1.489 265 N HN 0.329 nan 8.380 nan 0.000 0.529 266 D N 0.218 120.624 120.400 0.011 0.000 2.466 266 D HA 0.447 5.087 4.640 0.000 0.000 0.262 266 D C 0.024 176.333 176.300 0.015 0.000 1.177 266 D CA -0.116 53.892 54.000 0.014 0.000 1.035 266 D CB 0.980 41.788 40.800 0.013 0.000 1.105 266 D HN 0.310 nan 8.370 nan 0.000 0.551 267 I N 1.758 122.345 120.570 0.028 0.000 2.325 267 I HA 0.183 4.353 4.170 0.000 0.000 0.291 267 I C -1.999 174.119 176.117 0.001 0.000 1.019 267 I CA -1.626 59.680 61.300 0.011 0.000 1.302 267 I CB 0.910 38.934 38.000 0.040 0.000 1.401 267 I HN 0.013 nan 8.210 nan 0.000 0.485 268 P HA 0.103 nan 4.420 nan 0.000 0.264 268 P C -0.660 176.612 177.300 -0.047 0.000 1.193 268 P CA -0.079 63.001 63.100 -0.034 0.000 0.763 268 P CB 0.413 32.086 31.700 -0.045 0.000 0.810 269 R N 2.564 123.050 120.500 -0.024 0.000 2.643 269 R HA 0.354 4.694 4.340 0.000 0.000 0.272 269 R C 1.153 177.434 176.300 -0.032 0.000 0.995 269 R CA -0.751 55.337 56.100 -0.021 0.000 1.032 269 R CB 1.080 31.384 30.300 0.007 0.000 1.126 269 R HN 0.374 nan 8.270 nan 0.000 0.505 270 R N 0.175 120.656 120.500 -0.031 0.000 2.087 270 R HA 0.084 4.424 4.340 0.000 0.000 0.216 270 R C 0.119 176.415 176.300 -0.008 0.000 1.114 270 R CA 1.176 57.260 56.100 -0.026 0.000 1.002 270 R CB 0.165 30.447 30.300 -0.031 0.000 0.903 270 R HN 0.608 nan 8.270 nan 0.000 0.445 271 D N -1.219 119.184 120.400 0.005 0.000 2.272 271 D HA 0.272 4.912 4.640 0.000 0.000 0.247 271 D C -0.082 176.223 176.300 0.008 0.000 0.990 271 D CA 0.151 54.160 54.000 0.015 0.000 0.931 271 D CB 2.164 42.987 40.800 0.039 0.000 1.195 271 D HN 0.279 nan 8.370 nan 0.000 0.477 272 A N 2.159 124.981 122.820 0.003 0.000 2.119 272 A HA -0.033 4.287 4.320 0.000 0.000 0.216 272 A C 0.700 178.271 177.584 -0.022 0.000 1.152 272 A CA 0.663 52.692 52.037 -0.015 0.000 0.708 272 A CB 0.083 19.074 19.000 -0.016 0.000 0.805 272 A HN 0.494 nan 8.150 nan 0.000 0.460 273 D N -0.664 119.744 120.400 0.013 0.000 2.329 273 D HA 0.304 4.944 4.640 0.000 0.000 0.232 273 D C -0.065 176.282 176.300 0.078 0.000 1.088 273 D CA -0.476 53.547 54.000 0.038 0.000 0.835 273 D CB 0.921 41.770 40.800 0.081 0.000 1.078 273 D HN -0.023 nan 8.370 nan 0.000 0.495 274 D N 2.303 122.722 120.400 0.032 0.000 2.269 274 D HA -0.163 4.477 4.640 0.000 0.000 0.208 274 D C 1.308 177.743 176.300 0.226 0.000 0.963 274 D CA 0.606 54.668 54.000 0.103 0.000 0.864 274 D CB -0.059 40.710 40.800 -0.051 0.000 0.936 274 D HN 0.566 nan 8.370 nan 0.000 0.505 275 Y N 1.386 121.744 120.300 0.097 0.000 2.165 275 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 275 Y C 2.238 178.323 175.900 0.308 0.000 1.155 275 Y CA 1.776 59.995 58.100 0.199 0.000 1.164 275 Y CB -0.349 38.233 38.460 0.204 0.000 0.978 275 Y HN -0.114 nan 8.280 nan 0.000 0.513 276 T N 0.550 115.367 114.554 0.439 0.000 2.732 276 T HA -0.153 4.197 4.350 0.000 0.000 0.261 276 T C 1.675 176.508 174.700 0.222 0.000 1.040 276 T CA 1.234 63.521 62.100 0.311 0.000 1.145 276 T CB -0.381 68.615 68.868 0.213 0.000 0.866 276 T HN 0.351 nan 8.240 nan 0.000 0.427 277 N N 0.959 119.759 118.700 0.166 0.000 2.049 277 N HA -0.122 4.618 4.740 0.000 0.000 0.198 277 N C 1.575 177.131 175.510 0.077 0.000 1.030 277 N CA 1.577 54.674 53.050 0.079 0.000 0.870 277 N CB -0.571 37.912 38.487 -0.007 0.000 1.045 277 N HN 0.374 nan 8.380 nan 0.000 0.434 278 F N 0.186 120.222 119.950 0.145 0.000 2.270 278 F HA 0.036 4.563 4.527 0.000 0.000 0.295 278 F C 2.154 178.145 175.800 0.318 0.000 1.087 278 F CA 0.022 58.125 58.000 0.172 0.000 1.365 278 F CB -0.413 38.507 39.000 -0.133 0.000 1.056 278 F HN -0.023 nan 8.300 nan 0.000 0.506 279 L N 0.575 122.104 121.223 0.509 0.000 2.046 279 L HA -0.162 4.178 4.340 0.000 0.000 0.208 279 L C 2.241 179.166 176.870 0.093 0.000 1.077 279 L CA 1.864 56.818 54.840 0.191 0.000 0.747 279 L CB -0.728 41.345 42.059 0.023 0.000 0.896 279 L HN -0.050 nan 8.230 nan 0.000 0.432 280 K N -0.766 119.710 120.400 0.125 0.000 2.057 280 K HA -0.096 4.224 4.320 0.000 0.000 0.207 280 K C 1.963 178.614 176.600 0.085 0.000 1.049 280 K CA 1.335 57.670 56.287 0.080 0.000 0.931 280 K CB -0.262 32.284 32.500 0.076 0.000 0.714 280 K HN 0.466 nan 8.250 nan 0.000 0.440 281 A N 0.396 123.298 122.820 0.137 0.000 2.015 281 A HA 0.050 4.370 4.320 0.000 0.000 0.219 281 A C 1.394 179.079 177.584 0.168 0.000 1.163 281 A CA 1.955 54.080 52.037 0.146 0.000 0.646 281 A CB -0.367 18.767 19.000 0.222 0.000 0.806 281 A HN 0.499 nan 8.150 nan 0.000 0.448 282 G N -1.014 107.888 108.800 0.171 0.000 3.138 282 G HA2 -0.156 3.804 3.960 0.000 0.000 0.247 282 G HA3 -0.156 3.804 3.960 0.000 0.000 0.247 282 G C 0.508 175.555 174.900 0.245 0.000 1.642 282 G CA 0.576 45.756 45.100 0.132 0.000 1.087 282 G HN 1.700 nan 8.290 nan 0.000 0.558 283 S N 1.477 117.393 115.700 0.360 0.000 2.586 283 S HA 0.717 5.187 4.470 0.000 0.000 0.274 283 S C 1.607 176.514 174.600 0.511 0.000 1.281 283 S CA 0.609 59.088 58.200 0.465 0.000 1.035 283 S CB 1.665 65.130 63.200 0.441 0.000 0.962 283 S HN 2.179 nan 8.310 nan 0.000 0.512 284 A N 3.178 126.370 122.820 0.620 0.000 1.927 284 A HA -0.041 4.279 4.320 0.000 0.000 0.220 284 A C 2.167 180.136 177.584 0.641 0.000 1.185 284 A CA 2.156 54.675 52.037 0.804 0.000 0.639 284 A CB -1.806 17.767 19.000 0.954 0.000 0.820 284 A HN 1.210 nan 8.150 nan 0.000 0.451 285 G N -1.209 107.931 108.800 0.566 0.000 2.422 285 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 285 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 285 G C 1.896 176.968 174.900 0.287 0.000 1.140 285 G CA 1.544 46.916 45.100 0.455 0.000 0.775 285 G HN 0.692 nan 8.290 nan 0.000 0.545 286 S N -0.348 115.521 115.700 0.282 0.000 2.383 286 S HA -0.077 4.393 4.470 0.000 0.000 0.227 286 S C 2.074 176.734 174.600 0.101 0.000 1.026 286 S CA 1.247 59.557 58.200 0.184 0.000 0.981 286 S CB -0.405 62.916 63.200 0.201 0.000 0.818 286 S HN 0.358 nan 8.310 nan 0.000 0.472 287 F N 2.372 122.318 119.950 -0.006 0.000 2.075 287 F HA 0.042 4.569 4.527 0.000 0.000 0.297 287 F C 2.463 178.029 175.800 -0.390 0.000 1.113 287 F CA 1.433 59.339 58.000 -0.156 0.000 1.218 287 F CB -0.880 38.093 39.000 -0.045 0.000 0.984 287 F HN 0.295 nan 8.300 nan 0.000 0.472 288 A N -0.456 122.095 122.820 -0.449 0.000 1.948 288 A HA -0.231 4.089 4.320 0.000 0.000 0.220 288 A C 2.147 179.509 177.584 -0.370 0.000 1.177 288 A CA 2.454 53.985 52.037 -0.844 0.000 0.636 288 A CB -1.470 16.730 19.000 -1.333 0.000 0.815 288 A HN 0.491 nan 8.150 nan 0.000 0.449 289 T N -0.632 113.832 114.554 -0.151 0.000 2.737 289 T HA -0.148 4.202 4.350 0.000 0.000 0.265 289 T C 2.097 176.718 174.700 -0.132 0.000 1.038 289 T CA 1.705 63.772 62.100 -0.054 0.000 1.144 289 T CB -0.223 68.660 68.868 0.025 0.000 0.866 289 T HN 0.613 nan 8.240 nan 0.000 0.434 290 Q N 0.321 119.996 119.800 -0.209 0.000 2.170 290 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 290 Q C 2.432 178.236 176.000 -0.327 0.000 0.976 290 Q CA 1.255 56.906 55.803 -0.254 0.000 0.858 290 Q CB -0.215 28.341 28.738 -0.302 0.000 0.907 290 Q HN 0.539 nan 8.270 nan 0.000 0.433 291 A N -0.469 122.075 122.820 -0.459 0.000 2.066 291 A HA 0.164 4.484 4.320 0.000 0.000 0.218 291 A C 1.502 178.975 177.584 -0.184 0.000 1.157 291 A CA 1.038 52.832 52.037 -0.405 0.000 0.670 291 A CB -0.377 18.324 19.000 -0.497 0.000 0.804 291 A HN 0.476 nan 8.150 nan 0.000 0.453 292 G N -1.596 107.128 108.800 -0.127 0.000 2.142 292 G HA2 -0.194 3.766 3.960 0.000 0.000 0.225 292 G HA3 -0.194 3.766 3.960 0.000 0.000 0.225 292 G C 0.518 175.504 174.900 0.144 0.000 1.015 292 G CA 0.318 45.420 45.100 0.004 0.000 0.716 292 G HN 0.410 nan 8.290 nan 0.000 0.508 293 L N -0.241 121.013 121.223 0.051 0.000 2.492 293 L HA 0.139 4.479 4.340 0.000 0.000 0.223 293 L C 2.124 179.251 176.870 0.429 0.000 1.132 293 L CA 0.507 55.443 54.840 0.160 0.000 0.850 293 L CB -0.021 41.858 42.059 -0.300 0.000 0.966 293 L HN 0.083 nan 8.230 nan 0.000 0.454 294 D N 0.463 121.040 120.400 0.296 0.000 2.354 294 D HA -0.203 4.437 4.640 0.000 0.000 0.216 294 D C 1.947 178.346 176.300 0.165 0.000 0.970 294 D CA 0.959 55.116 54.000 0.262 0.000 0.905 294 D CB 0.185 41.053 40.800 0.114 0.000 0.903 294 D HN 0.587 nan 8.370 nan 0.000 0.508 295 Q N -1.192 118.711 119.800 0.172 0.000 2.384 295 Q HA -0.014 4.326 4.340 0.000 0.000 0.207 295 Q C 0.019 176.004 176.000 -0.024 0.000 0.904 295 Q CA -0.023 55.786 55.803 0.011 0.000 0.933 295 Q CB -0.092 28.588 28.738 -0.096 0.000 1.077 295 Q HN 0.252 nan 8.270 nan 0.000 0.522 296 Y N 2.220 122.573 120.300 0.089 0.000 2.393 296 Y HA 0.148 4.698 4.550 0.000 0.000 0.338 296 Y C -1.470 174.466 175.900 0.060 0.000 1.029 296 Y CA -2.245 55.910 58.100 0.091 0.000 1.239 296 Y CB 0.816 39.357 38.460 0.136 0.000 1.170 296 Y HN 0.003 nan 8.280 nan 0.000 0.515 297 P HA -0.268 nan 4.420 nan 0.000 0.215 297 P C 1.626 178.947 177.300 0.036 0.000 1.157 297 P CA 1.466 64.594 63.100 0.046 0.000 0.874 297 P CB 0.008 31.735 31.700 0.045 0.000 0.790 298 F N -0.759 119.167 119.950 -0.041 0.000 2.126 298 F HA -0.182 4.345 4.527 0.000 0.000 0.299 298 F C 2.337 178.040 175.800 -0.161 0.000 1.096 298 F CA 1.362 59.286 58.000 -0.126 0.000 1.255 298 F CB -0.937 37.942 39.000 -0.201 0.000 0.997 298 F HN 0.006 nan 8.300 nan 0.000 0.479 299 W N 1.330 122.407 121.300 -0.371 0.000 2.358 299 W HA -0.263 4.397 4.660 0.000 0.000 0.303 299 W C 2.092 178.440 176.519 -0.285 0.000 1.208 299 W CA 1.661 58.773 57.345 -0.389 0.000 1.274 299 W CB -0.512 28.870 29.460 -0.130 0.000 1.138 299 W HN 0.170 nan 8.180 nan 0.000 0.515 300 Q N 0.173 119.706 119.800 -0.445 0.000 2.061 300 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 300 Q C 2.351 178.000 176.000 -0.585 0.000 0.984 300 Q CA 2.157 57.613 55.803 -0.577 0.000 0.846 300 Q CB -0.401 28.139 28.738 -0.330 0.000 0.902 300 Q HN 0.310 nan 8.270 nan 0.000 0.421 301 R N 0.014 120.197 120.500 -0.528 0.000 2.092 301 R HA -0.093 4.247 4.340 0.000 0.000 0.231 301 R C 2.264 178.171 176.300 -0.656 0.000 1.119 301 R CA 1.329 57.053 56.100 -0.626 0.000 0.970 301 R CB -0.334 29.589 30.300 -0.629 0.000 0.864 301 R HN 0.381 nan 8.270 nan 0.000 0.440 302 M N 0.161 119.402 119.600 -0.600 0.000 2.099 302 M HA -0.178 4.302 4.480 0.000 0.000 0.262 302 M C 2.428 178.654 176.300 -0.122 0.000 1.067 302 M CA 1.688 56.913 55.300 -0.125 0.000 1.124 302 M CB -0.355 32.223 32.600 -0.037 0.000 1.353 302 M HN 0.150 nan 8.290 nan 0.000 0.410 303 H N 0.529 119.056 119.070 -0.905 0.000 2.426 303 H HA -0.087 4.469 4.556 0.000 0.000 0.298 303 H C 1.516 176.603 175.328 -0.403 0.000 1.107 303 H CA 1.965 57.430 56.048 -0.973 0.000 1.298 303 H CB -0.085 28.751 29.762 -1.543 0.000 1.377 303 H HN 0.533 nan 8.280 nan 0.000 0.519 304 A N 0.104 122.761 122.820 -0.272 0.000 2.208 304 A HA -0.007 4.313 4.320 0.000 0.000 0.209 304 A C 0.126 177.339 177.584 -0.619 0.000 1.161 304 A CA 0.208 51.996 52.037 -0.414 0.000 0.782 304 A CB -0.037 18.586 19.000 -0.628 0.000 0.816 304 A HN 0.468 nan 8.150 nan 0.000 0.477 305 H N -0.724 118.350 119.070 0.007 0.000 2.429 305 H HA 0.189 4.745 4.556 0.000 0.000 0.231 305 H C -2.339 173.298 175.328 0.515 0.000 1.416 305 H CA -1.293 54.865 56.048 0.183 0.000 1.443 305 H CB 0.883 30.654 29.762 0.016 0.000 1.591 305 H HN 0.288 nan 8.280 nan 0.000 0.507 306 P HA 0.049 nan 4.420 nan 0.000 0.227 306 P C 0.725 178.243 177.300 0.364 0.000 1.161 306 P CA 0.440 63.736 63.100 0.326 0.000 0.788 306 P CB 0.790 32.580 31.700 0.150 0.000 0.822 307 A N -0.565 122.496 122.820 0.403 0.000 2.269 307 A HA 0.326 4.646 4.320 0.000 0.000 0.319 307 A C -0.557 176.923 177.584 -0.174 0.000 1.110 307 A CA -0.554 51.691 52.037 0.348 0.000 0.847 307 A CB -0.150 19.094 19.000 0.407 0.000 1.161 307 A HN -0.019 nan 8.150 nan 0.000 0.497 308 Y N 2.079 121.755 120.300 -1.039 0.000 3.096 308 Y HA 0.117 4.667 4.550 0.000 0.000 0.377 308 Y C 0.450 176.140 175.900 -0.350 0.000 1.107 308 Y CA -0.832 56.528 58.100 -1.233 0.000 2.045 308 Y CB -1.267 36.270 38.460 -1.538 0.000 2.203 308 Y HN 0.787 nan 8.280 nan 0.000 0.408 309 D N -0.527 119.790 120.400 -0.139 0.000 2.348 309 D HA 0.164 4.804 4.640 0.000 0.000 0.272 309 D C 1.566 177.741 176.300 -0.208 0.000 1.237 309 D CA 0.212 54.158 54.000 -0.090 0.000 1.042 309 D CB 0.058 40.893 40.800 0.058 0.000 1.117 309 D HN 0.134 nan 8.370 nan 0.000 0.548 310 A N -1.251 121.481 122.820 -0.147 0.000 2.070 310 A HA -0.070 4.250 4.320 0.000 0.000 0.220 310 A C 1.873 179.319 177.584 -0.230 0.000 1.159 310 A CA 0.970 52.903 52.037 -0.173 0.000 0.656 310 A CB -1.191 17.746 19.000 -0.105 0.000 0.800 310 A HN 0.536 nan 8.150 nan 0.000 0.453 311 F N -1.256 118.390 119.950 -0.506 0.000 2.259 311 F HA -0.061 4.466 4.527 0.000 0.000 0.298 311 F C 1.655 177.086 175.800 -0.616 0.000 1.088 311 F CA 1.246 58.818 58.000 -0.714 0.000 1.358 311 F CB -0.245 37.957 39.000 -1.329 0.000 1.040 311 F HN 0.388 nan 8.300 nan 0.000 0.505 312 W N 0.111 121.178 121.300 -0.388 0.000 2.630 312 W HA 0.106 4.766 4.660 0.000 0.000 0.271 312 W C 2.335 178.583 176.519 -0.453 0.000 1.244 312 W CA 0.223 57.336 57.345 -0.386 0.000 1.353 312 W CB -0.475 28.857 29.460 -0.213 0.000 1.080 312 W HN -0.101 nan 8.180 nan 0.000 0.594 313 Q N -0.079 119.461 119.800 -0.434 0.000 2.291 313 Q HA -0.051 4.289 4.340 0.000 0.000 0.205 313 Q C 2.198 178.099 176.000 -0.166 0.000 0.970 313 Q CA 1.232 56.801 55.803 -0.390 0.000 0.876 313 Q CB -0.407 28.086 28.738 -0.409 0.000 0.935 313 Q HN 0.364 nan 8.270 nan 0.000 0.455 314 G N -0.051 108.636 108.800 -0.188 0.000 2.920 314 G HA2 -0.116 3.844 3.960 0.000 0.000 0.208 314 G HA3 -0.116 3.844 3.960 0.000 0.000 0.208 314 G C 0.970 175.818 174.900 -0.086 0.000 1.159 314 G CA -0.033 44.987 45.100 -0.132 0.000 0.784 314 G HN 0.243 nan 8.290 nan 0.000 0.535 315 Q N -0.410 119.357 119.800 -0.055 0.000 2.245 315 Q HA 0.270 4.610 4.340 0.000 0.000 0.236 315 Q C 1.174 177.270 176.000 0.160 0.000 0.842 315 Q CA -0.085 55.752 55.803 0.056 0.000 0.945 315 Q CB 0.961 29.733 28.738 0.057 0.000 1.122 315 Q HN 0.314 nan 8.270 nan 0.000 0.506 316 A N 2.334 125.241 122.820 0.146 0.000 2.901 316 A HA 0.038 4.358 4.320 0.000 0.000 0.289 316 A C 1.265 178.965 177.584 0.194 0.000 1.779 316 A CA 0.153 52.310 52.037 0.200 0.000 1.352 316 A CB -0.793 18.332 19.000 0.209 0.000 1.008 316 A HN 0.343 nan 8.150 nan 0.000 0.596 317 L N 0.959 122.318 121.223 0.226 0.000 2.187 317 L HA -0.213 4.127 4.340 0.000 0.000 0.213 317 L C 2.476 179.469 176.870 0.205 0.000 1.100 317 L CA 1.653 56.626 54.840 0.223 0.000 0.765 317 L CB -0.556 41.669 42.059 0.277 0.000 0.904 317 L HN 0.854 nan 8.230 nan 0.000 0.437 318 D N 0.600 121.127 120.400 0.211 0.000 2.144 318 D HA -0.214 4.426 4.640 0.000 0.000 0.200 318 D C 1.666 178.047 176.300 0.135 0.000 0.978 318 D CA 1.202 55.299 54.000 0.162 0.000 0.833 318 D CB -0.128 40.793 40.800 0.201 0.000 0.961 318 D HN 0.374 nan 8.370 nan 0.000 0.470 319 K N 0.379 120.873 120.400 0.155 0.000 2.098 319 K HA 0.087 4.407 4.320 0.000 0.000 0.203 319 K C 2.662 179.325 176.600 0.105 0.000 1.051 319 K CA 0.268 56.630 56.287 0.126 0.000 0.957 319 K CB 0.144 32.728 32.500 0.140 0.000 0.738 319 K HN 0.247 nan 8.250 nan 0.000 0.447 320 I N 1.522 122.160 120.570 0.113 0.000 2.142 320 I HA -0.278 3.892 4.170 0.000 0.000 0.240 320 I C 2.460 178.639 176.117 0.104 0.000 1.078 320 I CA 0.813 62.171 61.300 0.098 0.000 1.343 320 I CB -0.305 37.756 38.000 0.101 0.000 1.046 320 I HN 0.038 nan 8.210 nan 0.000 0.405 321 L N 1.336 122.637 121.223 0.130 0.000 2.127 321 L HA -0.174 4.166 4.340 0.000 0.000 0.211 321 L C 2.478 179.419 176.870 0.117 0.000 1.089 321 L CA 2.086 57.013 54.840 0.145 0.000 0.757 321 L CB -0.794 41.390 42.059 0.208 0.000 0.899 321 L HN 0.199 nan 8.230 nan 0.000 0.434 322 A N -1.443 121.433 122.820 0.094 0.000 1.969 322 A HA -0.214 4.106 4.320 0.000 0.000 0.218 322 A C 2.210 179.830 177.584 0.059 0.000 1.169 322 A CA 1.497 53.573 52.037 0.065 0.000 0.635 322 A CB -0.469 18.557 19.000 0.044 0.000 0.810 322 A HN 0.630 nan 8.150 nan 0.000 0.445 323 Q N -0.865 118.973 119.800 0.063 0.000 2.224 323 Q HA -0.064 4.276 4.340 0.000 0.000 0.203 323 Q C 1.863 177.895 176.000 0.053 0.000 0.970 323 Q CA 0.796 56.630 55.803 0.053 0.000 0.865 323 Q CB -0.008 28.761 28.738 0.051 0.000 0.922 323 Q HN 0.442 nan 8.270 nan 0.000 0.445 324 R N 0.973 121.512 120.500 0.066 0.000 2.275 324 R HA 0.021 4.361 4.340 0.000 0.000 0.199 324 R C -0.110 176.229 176.300 0.065 0.000 0.989 324 R CA 0.275 56.415 56.100 0.067 0.000 1.016 324 R CB 0.002 30.351 30.300 0.081 0.000 0.918 324 R HN 0.216 nan 8.270 nan 0.000 0.473 325 K N 1.542 121.980 120.400 0.064 0.000 4.075 325 K HA -0.144 4.176 4.320 0.000 0.000 0.278 325 K C -2.180 174.459 176.600 0.065 0.000 0.862 325 K CA 0.223 56.545 56.287 0.059 0.000 0.762 325 K CB -1.364 31.163 32.500 0.045 0.000 1.660 325 K HN 0.267 nan 8.250 nan 0.000 0.437 326 P HA 0.048 nan 4.420 nan 0.000 0.274 326 P C 0.498 177.837 177.300 0.066 0.000 1.246 326 P CA -0.074 63.074 63.100 0.080 0.000 0.795 326 P CB 0.857 32.621 31.700 0.107 0.000 1.006 327 T N -3.759 110.821 114.554 0.042 0.000 3.200 327 T HA 0.246 4.596 4.350 0.000 0.000 0.284 327 T C 0.194 174.883 174.700 -0.019 0.000 1.009 327 T CA -0.298 61.813 62.100 0.020 0.000 0.907 327 T CB -0.574 68.300 68.868 0.009 0.000 1.120 327 T HN 0.084 nan 8.240 nan 0.000 0.534 328 V N 3.232 123.137 119.914 -0.014 0.000 2.432 328 V HA 0.391 4.511 4.120 0.000 0.000 0.275 328 V C -2.368 173.687 176.094 -0.064 0.000 1.043 328 V CA -2.330 59.923 62.300 -0.078 0.000 0.925 328 V CB 0.971 32.756 31.823 -0.064 0.000 0.985 328 V HN 0.196 nan 8.190 nan 0.000 0.466 329 P HA 0.096 nan 4.420 nan 0.000 0.258 329 P C -0.531 176.848 177.300 0.132 0.000 1.172 329 P CA 0.716 63.785 63.100 -0.052 0.000 0.762 329 P CB 0.193 31.595 31.700 -0.496 0.000 0.764 330 M N 3.489 123.246 119.600 0.263 0.000 2.465 330 M HA 0.454 4.934 4.480 0.000 0.000 0.316 330 M C -0.595 175.794 176.300 0.148 0.000 1.121 330 M CA -0.836 54.535 55.300 0.118 0.000 0.934 330 M CB 2.092 34.672 32.600 -0.033 0.000 1.692 330 M HN 0.060 nan 8.290 nan 0.000 0.444 331 L N 3.148 124.372 121.223 0.001 0.000 2.417 331 L HA 0.512 4.852 4.340 0.000 0.000 0.259 331 L C -1.994 174.794 176.870 -0.136 0.000 1.023 331 L CA -0.048 54.752 54.840 -0.065 0.000 0.901 331 L CB 0.494 42.532 42.059 -0.036 0.000 1.227 331 L HN 0.620 nan 8.230 nan 0.000 0.454 332 W N 3.677 124.984 121.300 0.012 0.000 2.238 332 W HA 0.523 5.183 4.660 0.000 0.000 0.321 332 W C 0.672 177.107 176.519 -0.141 0.000 1.293 332 W CA -0.018 57.318 57.345 -0.014 0.000 1.204 332 W CB 0.655 30.147 29.460 0.053 0.000 1.167 332 W HN 0.413 nan 8.180 nan 0.000 0.553 333 E N 3.165 123.429 120.200 0.108 0.000 2.340 333 E HA 0.378 4.728 4.350 0.000 0.000 0.273 333 E C -1.272 175.369 176.600 0.068 0.000 0.891 333 E CA -0.754 55.633 56.400 -0.020 0.000 0.757 333 E CB 2.251 31.869 29.700 -0.137 0.000 1.231 333 E HN 0.676 nan 8.360 nan 0.000 0.439 334 Q N 1.261 121.089 119.800 0.047 0.000 2.527 334 Q HA 0.592 4.932 4.340 0.000 0.000 0.280 334 Q C -1.008 175.036 176.000 0.074 0.000 0.977 334 Q CA -1.058 54.800 55.803 0.092 0.000 0.837 334 Q CB 0.830 29.615 28.738 0.078 0.000 1.454 334 Q HN 0.485 nan 8.270 nan 0.000 0.387 335 G N 1.380 110.262 108.800 0.137 0.000 2.415 335 G HA2 0.371 4.331 3.960 0.000 0.000 0.269 335 G HA3 0.371 4.331 3.960 0.000 0.000 0.269 335 G C 0.373 175.215 174.900 -0.097 0.000 1.209 335 G CA -0.804 44.349 45.100 0.087 0.000 0.835 335 G HN 0.669 nan 8.290 nan 0.000 0.534 336 L N 0.817 121.856 121.223 -0.306 0.000 2.131 336 L HA -0.018 4.322 4.340 0.000 0.000 0.210 336 L C 1.206 177.783 176.870 -0.489 0.000 1.092 336 L CA 0.831 55.373 54.840 -0.497 0.000 0.759 336 L CB 0.033 41.607 42.059 -0.808 0.000 0.903 336 L HN 0.565 nan 8.230 nan 0.000 0.435 337 W N 0.227 121.449 121.300 -0.130 0.000 2.410 337 W HA 0.175 4.835 4.660 0.000 0.000 0.400 337 W C 0.109 176.563 176.519 -0.108 0.000 0.777 337 W CA -0.881 56.384 57.345 -0.133 0.000 2.632 337 W CB -0.064 29.313 29.460 -0.138 0.000 1.504 337 W HN -0.027 nan 8.180 nan 0.000 0.757 338 D N 2.392 122.851 120.400 0.100 0.000 2.342 338 D HA -0.057 4.583 4.640 0.000 0.000 0.260 338 D C 1.506 177.852 176.300 0.076 0.000 1.278 338 D CA 0.538 54.625 54.000 0.145 0.000 0.910 338 D CB 1.038 41.950 40.800 0.186 0.000 1.079 338 D HN 0.169 nan 8.370 nan 0.000 0.496 339 Q N 2.993 122.786 119.800 -0.012 0.000 2.403 339 Q HA -0.026 4.314 4.340 0.000 0.000 0.203 339 Q C 0.115 176.122 176.000 0.012 0.000 0.932 339 Q CA 0.777 56.484 55.803 -0.161 0.000 0.945 339 Q CB 0.306 28.694 28.738 -0.583 0.000 1.045 339 Q HN 0.594 nan 8.270 nan 0.000 0.511 340 E N -0.025 120.169 120.200 -0.009 0.000 2.399 340 E HA 0.119 4.469 4.350 0.000 0.000 0.206 340 E C -0.307 176.213 176.600 -0.134 0.000 0.812 340 E CA 0.070 56.360 56.400 -0.183 0.000 1.138 340 E CB 0.712 29.977 29.700 -0.726 0.000 1.140 340 E HN 0.219 nan 8.360 nan 0.000 0.536 341 D N 0.723 121.144 120.400 0.035 0.000 2.656 341 D HA 0.128 4.768 4.640 0.000 0.000 0.303 341 D C 0.283 176.717 176.300 0.224 0.000 1.199 341 D CA -0.038 54.054 54.000 0.152 0.000 0.797 341 D CB 1.117 42.048 40.800 0.218 0.000 1.170 341 D HN 0.013 nan 8.370 nan 0.000 0.509 342 M N 0.054 119.781 119.600 0.211 0.000 2.319 342 M HA 0.035 4.515 4.480 0.000 0.000 0.265 342 M C 1.605 178.028 176.300 0.204 0.000 1.068 342 M CA 1.187 56.596 55.300 0.183 0.000 1.118 342 M CB 0.205 32.912 32.600 0.178 0.000 1.395 342 M HN 0.376 nan 8.290 nan 0.000 0.435 343 W N 0.527 121.842 121.300 0.025 0.000 2.413 343 W HA 0.015 4.675 4.660 0.000 0.000 0.315 343 W C 1.732 178.360 176.519 0.182 0.000 1.186 343 W CA 1.779 59.160 57.345 0.060 0.000 1.326 343 W CB -1.073 28.278 29.460 -0.183 0.000 1.153 343 W HN 0.321 nan 8.180 nan 0.000 0.489 344 G N 1.431 110.458 108.800 0.379 0.000 3.248 344 G HA2 -0.446 3.514 3.960 0.000 0.000 0.228 344 G HA3 -0.446 3.514 3.960 0.000 0.000 0.228 344 G C 1.578 176.596 174.900 0.197 0.000 1.100 344 G CA 2.823 48.107 45.100 0.306 0.000 0.750 344 G HN 0.487 nan 8.290 nan 0.000 1.046 345 A N 0.283 123.237 122.820 0.222 0.000 1.873 345 A HA -0.223 4.097 4.320 0.000 0.000 0.219 345 A C 2.543 180.114 177.584 -0.023 0.000 1.269 345 A CA 2.787 54.942 52.037 0.197 0.000 0.671 345 A CB -0.862 18.290 19.000 0.253 0.000 0.842 345 A HN 0.995 nan 8.150 nan 0.000 0.460 346 I N -1.553 119.002 120.570 -0.024 0.000 2.194 346 I HA -0.347 3.823 4.170 0.000 0.000 0.246 346 I C 2.326 178.392 176.117 -0.084 0.000 1.093 346 I CA 2.587 63.853 61.300 -0.057 0.000 1.355 346 I CB -0.205 37.713 38.000 -0.138 0.000 1.046 346 I HN 0.553 nan 8.210 nan 0.000 0.413 347 H N 0.085 119.030 119.070 -0.207 0.000 2.357 347 H HA 0.007 4.563 4.556 0.000 0.000 0.301 347 H C 2.219 177.436 175.328 -0.186 0.000 1.082 347 H CA 1.555 57.449 56.048 -0.256 0.000 1.342 347 H CB -0.304 29.166 29.762 -0.486 0.000 1.389 347 H HN 0.469 nan 8.280 nan 0.000 0.511 348 A N 0.405 123.135 122.820 -0.149 0.000 1.902 348 A HA -0.201 4.119 4.320 0.000 0.000 0.217 348 A C 2.161 179.378 177.584 -0.611 0.000 1.181 348 A CA 1.538 53.349 52.037 -0.377 0.000 0.623 348 A CB -1.208 17.428 19.000 -0.607 0.000 0.818 348 A HN 0.713 nan 8.150 nan 0.000 0.443 349 W N 0.722 121.392 121.300 -1.050 0.000 2.335 349 W HA -0.263 4.397 4.660 0.000 0.000 0.311 349 W C 2.232 178.552 176.519 -0.332 0.000 1.213 349 W CA 2.308 59.127 57.345 -0.877 0.000 1.274 349 W CB -0.426 28.626 29.460 -0.680 0.000 1.148 349 W HN 0.406 nan 8.180 nan 0.000 0.498 350 Q N 0.937 120.501 119.800 -0.394 0.000 2.084 350 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 350 Q C 2.289 178.041 176.000 -0.414 0.000 0.978 350 Q CA 2.767 58.198 55.803 -0.621 0.000 0.844 350 Q CB -0.868 27.728 28.738 -0.237 0.000 0.898 350 Q HN 0.310 nan 8.270 nan 0.000 0.426 351 A N 0.167 122.844 122.820 -0.238 0.000 1.940 351 A HA -0.170 4.150 4.320 0.000 0.000 0.219 351 A C 2.092 179.590 177.584 -0.145 0.000 1.176 351 A CA 1.545 53.506 52.037 -0.128 0.000 0.631 351 A CB -0.780 18.197 19.000 -0.038 0.000 0.814 351 A HN 0.472 nan 8.150 nan 0.000 0.446 352 L N -0.778 120.329 121.223 -0.194 0.000 2.056 352 L HA -0.164 4.176 4.340 0.000 0.000 0.207 352 L C 2.604 179.365 176.870 -0.181 0.000 1.078 352 L CA 1.857 56.621 54.840 -0.126 0.000 0.749 352 L CB -0.325 41.706 42.059 -0.046 0.000 0.901 352 L HN 0.471 nan 8.230 nan 0.000 0.433 353 K N 0.005 120.183 120.400 -0.370 0.000 2.063 353 K HA -0.238 4.082 4.320 0.000 0.000 0.208 353 K C 1.640 178.111 176.600 -0.216 0.000 1.048 353 K CA 1.977 58.048 56.287 -0.359 0.000 0.928 353 K CB -0.040 32.067 32.500 -0.655 0.000 0.713 353 K HN 0.234 nan 8.250 nan 0.000 0.442 354 D N 0.288 120.563 120.400 -0.208 0.000 2.117 354 D HA -0.107 4.533 4.640 0.000 0.000 0.198 354 D C 1.446 177.702 176.300 -0.073 0.000 0.982 354 D CA 1.328 55.255 54.000 -0.123 0.000 0.828 354 D CB -0.167 40.571 40.800 -0.103 0.000 0.967 354 D HN 0.361 nan 8.370 nan 0.000 0.464 355 A N 0.494 123.274 122.820 -0.065 0.000 2.258 355 A HA -0.064 4.256 4.320 0.000 0.000 0.206 355 A C 0.432 178.004 177.584 -0.019 0.000 1.222 355 A CA 0.547 52.568 52.037 -0.027 0.000 0.822 355 A CB -0.330 18.665 19.000 -0.010 0.000 0.804 355 A HN 0.087 nan 8.150 nan 0.000 0.483 356 D N -1.437 118.942 120.400 -0.035 0.000 2.701 356 D HA -0.155 4.485 4.640 0.000 0.000 0.235 356 D C 0.107 176.409 176.300 0.003 0.000 1.155 356 D CA 0.963 54.953 54.000 -0.018 0.000 0.649 356 D CB -1.852 38.944 40.800 -0.006 0.000 1.050 356 D HN 0.504 nan 8.370 nan 0.000 0.425 357 V N 0.924 120.841 119.914 0.004 0.000 2.681 357 V HA -0.103 4.017 4.120 0.000 0.000 0.306 357 V C 0.680 176.804 176.094 0.049 0.000 1.077 357 V CA 0.476 62.798 62.300 0.036 0.000 1.224 357 V CB 0.556 32.413 31.823 0.058 0.000 0.879 357 V HN 0.100 nan 8.190 nan 0.000 0.494 358 K N 6.517 126.948 120.400 0.051 0.000 2.535 358 K HA 0.654 4.974 4.320 0.000 0.000 0.242 358 K C -0.187 176.449 176.600 0.060 0.000 1.210 358 K CA 0.483 56.802 56.287 0.053 0.000 1.178 358 K CB 0.347 32.872 32.500 0.042 0.000 1.778 358 K HN 0.894 nan 8.250 nan 0.000 0.372 359 A N 1.321 124.190 122.820 0.083 0.000 2.583 359 A HA 0.489 4.809 4.320 0.000 0.000 0.292 359 A C -2.957 174.716 177.584 0.149 0.000 1.045 359 A CA -1.239 50.852 52.037 0.089 0.000 0.672 359 A CB 0.777 19.816 19.000 0.065 0.000 1.283 359 A HN 0.105 nan 8.150 nan 0.000 0.419 360 P HA 0.189 nan 4.420 nan 0.000 0.261 360 P C -0.633 176.851 177.300 0.308 0.000 1.173 360 P CA 0.706 63.976 63.100 0.283 0.000 0.760 360 P CB 0.246 32.205 31.700 0.431 0.000 0.783 361 N N 1.581 120.478 118.700 0.328 0.000 2.716 361 N HA 0.141 4.881 4.740 0.000 0.000 0.245 361 N C -1.383 174.492 175.510 0.610 0.000 1.495 361 N CA -0.187 53.141 53.050 0.464 0.000 0.759 361 N CB 0.383 39.078 38.487 0.347 0.000 1.261 361 N HN 0.061 nan 8.380 nan 0.000 0.515 362 T N 1.454 116.243 114.554 0.392 0.000 2.837 362 T HA 0.431 4.781 4.350 0.000 0.000 0.285 362 T C -0.330 174.384 174.700 0.023 0.000 0.984 362 T CA -0.332 61.889 62.100 0.201 0.000 1.049 362 T CB 1.122 69.965 68.868 -0.041 0.000 0.947 362 T HN 0.296 nan 8.240 nan 0.000 0.472 363 L N 4.694 125.672 121.223 -0.408 0.000 2.307 363 L HA 0.753 5.094 4.340 0.000 0.000 0.284 363 L C -1.118 175.446 176.870 -0.510 0.000 1.023 363 L CA -0.394 54.030 54.840 -0.692 0.000 0.810 363 L CB 1.197 42.258 42.059 -1.663 0.000 1.231 363 L HN 0.407 nan 8.230 nan 0.000 0.423 364 V N 6.571 126.255 119.914 -0.383 0.000 2.487 364 V HA 0.539 4.659 4.120 0.000 0.000 0.298 364 V C -0.264 175.626 176.094 -0.340 0.000 1.028 364 V CA -0.397 61.670 62.300 -0.387 0.000 0.860 364 V CB 1.726 33.259 31.823 -0.484 0.000 0.991 364 V HN 0.799 nan 8.190 nan 0.000 0.427 365 M N 4.310 123.693 119.600 -0.362 0.000 2.067 365 M HA 0.536 5.016 4.480 0.000 0.000 0.286 365 M C 0.264 176.154 176.300 -0.683 0.000 0.922 365 M CA -0.197 54.838 55.300 -0.441 0.000 0.937 365 M CB 1.956 34.281 32.600 -0.458 0.000 1.550 365 M HN 0.755 nan 8.290 nan 0.000 0.433 366 G N 2.334 110.345 108.800 -1.316 0.000 2.552 366 G HA2 0.683 4.644 3.960 0.000 0.000 0.318 366 G HA3 0.683 4.644 3.960 0.000 0.000 0.318 366 G C -2.646 171.186 174.900 -1.780 0.000 1.240 366 G CA -1.246 42.542 45.100 -2.186 0.000 1.002 366 G HN 0.416 nan 8.290 nan 0.000 0.493 367 P HA 0.168 nan 4.420 nan 0.000 0.220 367 P C -0.859 176.125 177.300 -0.526 0.000 1.778 367 P CA -0.129 62.349 63.100 -1.037 0.000 0.912 367 P CB -0.118 30.506 31.700 -1.793 0.000 1.861 368 W N 1.521 122.792 121.300 -0.049 0.000 2.736 368 W HA 0.441 5.101 4.660 0.000 0.000 0.355 368 W C 0.814 177.404 176.519 0.119 0.000 1.102 368 W CA -0.811 56.561 57.345 0.044 0.000 1.164 368 W CB 0.487 29.951 29.460 0.007 0.000 1.422 368 W HN 0.007 nan 8.180 nan 0.000 0.572 369 R N -0.215 120.493 120.500 0.348 0.000 2.519 369 R HA 0.352 4.692 4.340 0.000 0.000 0.244 369 R C -0.145 176.306 176.300 0.251 0.000 1.241 369 R CA -0.718 55.518 56.100 0.226 0.000 1.120 369 R CB -0.300 30.073 30.300 0.121 0.000 1.333 369 R HN 0.380 nan 8.270 nan 0.000 0.587 370 H N -0.235 118.910 119.070 0.124 0.000 3.004 370 H HA 0.062 4.618 4.556 0.000 0.000 0.316 370 H C -0.261 175.179 175.328 0.187 0.000 1.014 370 H CA 1.444 57.584 56.048 0.154 0.000 1.454 370 H CB 0.240 30.088 29.762 0.144 0.000 1.472 370 H HN 0.700 nan 8.280 nan 0.000 0.571 371 S N 1.955 117.433 115.700 -0.370 0.000 3.146 371 S HA -0.236 4.234 4.470 0.000 0.000 0.285 371 S C 1.753 176.419 174.600 0.110 0.000 1.293 371 S CA 0.934 59.029 58.200 -0.174 0.000 1.137 371 S CB -1.649 61.472 63.200 -0.132 0.000 1.357 371 S HN 1.025 nan 8.310 nan 0.000 0.678 372 G N 0.156 109.033 108.800 0.129 0.000 2.625 372 G HA2 0.026 3.986 3.960 0.000 0.000 0.214 372 G HA3 0.026 3.986 3.960 0.000 0.000 0.214 372 G C 1.114 175.910 174.900 -0.173 0.000 1.132 372 G CA 0.831 46.028 45.100 0.161 0.000 0.782 372 G HN 0.623 nan 8.290 nan 0.000 0.538 373 V N 0.857 120.543 119.914 -0.380 0.000 2.759 373 V HA -0.016 4.104 4.120 0.000 0.000 0.256 373 V C 1.292 177.119 176.094 -0.445 0.000 1.080 373 V CA 1.206 63.025 62.300 -0.803 0.000 1.101 373 V CB -0.247 31.201 31.823 -0.625 0.000 0.698 373 V HN 0.352 nan 8.190 nan 0.000 0.477 374 N N -0.608 117.886 118.700 -0.343 0.000 2.327 374 N HA 0.198 4.938 4.740 0.000 0.000 0.231 374 N C -0.782 174.216 175.510 -0.853 0.000 1.130 374 N CA 0.155 52.907 53.050 -0.498 0.000 0.845 374 N CB 0.458 38.651 38.487 -0.490 0.000 1.073 374 N HN 0.559 nan 8.380 nan 0.000 0.496 375 Y N -0.747 119.484 120.300 -0.114 0.000 3.200 375 Y HA 0.246 4.796 4.550 0.000 0.000 0.278 375 Y C 0.244 176.107 175.900 -0.060 0.000 1.960 375 Y CA -1.178 56.885 58.100 -0.062 0.000 1.048 375 Y CB 0.385 38.821 38.460 -0.040 0.000 1.768 375 Y HN -0.168 nan 8.280 nan 0.000 0.464 376 N N 0.508 119.319 118.700 0.185 0.000 2.455 376 N HA 0.250 4.990 4.740 0.000 0.000 0.280 376 N C -0.246 175.346 175.510 0.136 0.000 1.055 376 N CA 0.187 53.308 53.050 0.117 0.000 0.961 376 N CB 1.580 40.123 38.487 0.093 0.000 1.121 376 N HN 0.886 nan 8.380 nan 0.000 0.476 377 G N 1.727 110.628 108.800 0.169 0.000 4.098 377 G HA2 0.086 4.046 3.960 0.000 0.000 0.300 377 G HA3 0.086 4.046 3.960 0.000 0.000 0.300 377 G C 0.650 175.774 174.900 0.372 0.000 1.187 377 G CA -0.311 44.981 45.100 0.320 0.000 0.964 377 G HN 0.561 nan 8.290 nan 0.000 0.559 378 S N 0.035 115.888 115.700 0.255 0.000 2.414 378 S HA 0.035 4.505 4.470 0.000 0.000 0.227 378 S C 1.572 176.272 174.600 0.167 0.000 1.022 378 S CA 1.137 59.465 58.200 0.214 0.000 0.958 378 S CB 0.145 63.406 63.200 0.102 0.000 0.797 378 S HN 0.679 nan 8.310 nan 0.000 0.493 379 T N -0.777 113.844 114.554 0.113 0.000 2.831 379 T HA 0.751 5.101 4.350 0.000 0.000 0.287 379 T C -1.361 173.369 174.700 0.050 0.000 1.070 379 T CA -0.825 61.207 62.100 -0.113 0.000 1.010 379 T CB 1.832 70.617 68.868 -0.138 0.000 1.264 379 T HN -0.024 nan 8.240 nan 0.000 0.532 380 L N 0.746 121.891 121.223 -0.130 0.000 2.845 380 L HA 0.568 4.908 4.340 0.000 0.000 0.253 380 L C 0.498 177.241 176.870 -0.210 0.000 0.959 380 L CA 1.417 56.218 54.840 -0.064 0.000 1.001 380 L CB 0.604 42.707 42.059 0.073 0.000 1.374 380 L HN 1.524 nan 8.230 nan 0.000 0.469 381 G N 5.506 114.213 108.800 -0.155 0.000 2.583 381 G HA2 -0.275 3.685 3.960 0.000 0.000 0.292 381 G HA3 -0.275 3.685 3.960 0.000 0.000 0.292 381 G C -1.622 173.165 174.900 -0.188 0.000 1.203 381 G CA 0.247 45.254 45.100 -0.154 0.000 0.987 381 G HN 0.557 nan 8.290 nan 0.000 0.554 382 P HA 0.219 nan 4.420 nan 0.000 0.231 382 P C 1.148 178.236 177.300 -0.355 0.000 1.168 382 P CA 0.425 63.367 63.100 -0.263 0.000 0.779 382 P CB 0.025 31.540 31.700 -0.309 0.000 0.844 383 L N 0.599 121.560 121.223 -0.438 0.000 2.461 383 L HA 0.133 4.473 4.340 0.000 0.000 0.272 383 L C 0.573 176.999 176.870 -0.739 0.000 1.197 383 L CA 0.520 55.016 54.840 -0.574 0.000 0.836 383 L CB -0.045 41.637 42.059 -0.627 0.000 1.105 383 L HN -0.048 nan 8.230 nan 0.000 0.477 384 E N 1.645 121.380 120.200 -0.775 0.000 2.263 384 E HA 0.484 4.834 4.350 0.000 0.000 0.268 384 E C -1.418 174.806 176.600 -0.627 0.000 0.884 384 E CA -0.498 55.507 56.400 -0.659 0.000 0.766 384 E CB 1.937 31.456 29.700 -0.302 0.000 1.196 384 E HN 0.193 nan 8.360 nan 0.000 0.416 385 F N 0.423 120.372 119.950 -0.002 0.000 2.585 385 F HA 0.326 4.853 4.527 0.000 0.000 0.350 385 F C 0.891 176.720 175.800 0.048 0.000 1.074 385 F CA -1.123 56.896 58.000 0.032 0.000 1.032 385 F CB 0.690 39.641 39.000 -0.082 0.000 1.330 385 F HN 0.188 nan 8.300 nan 0.000 0.495 386 E N 1.763 122.150 120.200 0.312 0.000 1.814 386 E HA 0.383 4.733 4.350 0.000 0.000 0.264 386 E C 0.556 177.273 176.600 0.194 0.000 1.179 386 E CA 0.203 56.728 56.400 0.209 0.000 0.972 386 E CB -0.143 29.681 29.700 0.207 0.000 1.077 386 E HN 0.794 nan 8.360 nan 0.000 0.417 387 G N 3.350 112.243 108.800 0.155 0.000 2.828 387 G HA2 -0.261 3.699 3.960 0.000 0.000 0.463 387 G HA3 -0.261 3.699 3.960 0.000 0.000 0.463 387 G C -0.380 174.628 174.900 0.179 0.000 1.394 387 G CA -0.617 44.571 45.100 0.146 0.000 0.862 387 G HN 0.508 nan 8.290 nan 0.000 0.540 388 D N 0.845 121.347 120.400 0.169 0.000 2.357 388 D HA 0.330 4.970 4.640 0.000 0.000 0.265 388 D C 2.158 178.637 176.300 0.298 0.000 1.334 388 D CA 0.864 54.987 54.000 0.204 0.000 0.984 388 D CB 0.152 41.041 40.800 0.149 0.000 1.077 388 D HN 0.716 nan 8.370 nan 0.000 0.514 389 T N 0.851 115.605 114.554 0.333 0.000 2.867 389 T HA -0.098 4.252 4.350 0.000 0.000 0.268 389 T C 1.834 176.960 174.700 0.710 0.000 1.057 389 T CA 0.859 63.250 62.100 0.484 0.000 1.136 389 T CB -0.026 68.902 68.868 0.101 0.000 0.874 389 T HN 0.254 nan 8.240 nan 0.000 0.466 390 A N 1.699 124.791 122.820 0.454 0.000 1.855 390 A HA -0.095 4.225 4.320 0.000 0.000 0.215 390 A C 2.215 179.849 177.584 0.082 0.000 1.191 390 A CA 2.011 54.018 52.037 -0.050 0.000 0.613 390 A CB -1.385 17.376 19.000 -0.398 0.000 0.829 390 A HN 0.744 nan 8.150 nan 0.000 0.442 391 H N -0.499 118.591 119.070 0.034 0.000 2.352 391 H HA -0.169 4.387 4.556 0.000 0.000 0.299 391 H C 2.169 177.509 175.328 0.021 0.000 1.097 391 H CA 2.300 58.345 56.048 -0.005 0.000 1.311 391 H CB -0.239 29.523 29.762 -0.000 0.000 1.377 391 H HN 0.583 nan 8.280 nan 0.000 0.504 392 Q N -0.845 119.062 119.800 0.179 0.000 2.029 392 Q HA -0.295 4.045 4.340 0.000 0.000 0.209 392 Q C 2.161 178.133 176.000 -0.047 0.000 0.999 392 Q CA 2.275 58.148 55.803 0.116 0.000 0.857 392 Q CB -0.478 28.453 28.738 0.322 0.000 0.926 392 Q HN 0.716 nan 8.270 nan 0.000 0.415 393 Y N 0.759 121.014 120.300 -0.075 0.000 2.128 393 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 393 Y C 2.173 177.971 175.900 -0.170 0.000 1.154 393 Y CA 1.618 59.594 58.100 -0.206 0.000 1.149 393 Y CB -0.032 38.400 38.460 -0.048 0.000 0.976 393 Y HN -0.052 nan 8.280 nan 0.000 0.505 394 R N 0.010 120.220 120.500 -0.483 0.000 2.091 394 R HA -0.210 4.130 4.340 0.000 0.000 0.238 394 R C 2.577 178.507 176.300 -0.618 0.000 1.136 394 R CA 1.957 57.712 56.100 -0.576 0.000 0.959 394 R CB -0.378 29.675 30.300 -0.412 0.000 0.856 394 R HN 0.417 nan 8.270 nan 0.000 0.437 395 R N 0.519 120.673 120.500 -0.577 0.000 2.080 395 R HA -0.084 4.256 4.340 0.000 0.000 0.222 395 R C 0.869 176.975 176.300 -0.323 0.000 1.107 395 R CA 1.622 57.431 56.100 -0.484 0.000 0.980 395 R CB 0.143 30.144 30.300 -0.498 0.000 0.879 395 R HN 0.099 nan 8.270 nan 0.000 0.439 396 D N -0.413 119.826 120.400 -0.269 0.000 2.333 396 D HA 0.005 4.645 4.640 0.000 0.000 0.208 396 D C 1.424 177.637 176.300 -0.145 0.000 0.984 396 D CA 0.594 54.493 54.000 -0.169 0.000 0.873 396 D CB 0.802 41.531 40.800 -0.119 0.000 0.935 396 D HN 0.125 nan 8.370 nan 0.000 0.521 397 V N -0.237 119.540 119.914 -0.228 0.000 3.161 397 V HA -0.006 4.114 4.120 0.000 0.000 0.221 397 V C 1.616 177.645 176.094 -0.108 0.000 1.296 397 V CA -0.233 61.982 62.300 -0.141 0.000 1.306 397 V CB -0.082 31.689 31.823 -0.088 0.000 1.171 397 V HN -0.051 nan 8.190 nan 0.000 0.513 398 F N 2.721 122.262 119.950 -0.681 0.000 2.015 398 F HA -0.267 4.260 4.527 0.000 0.000 0.297 398 F C 2.642 178.290 175.800 -0.253 0.000 1.141 398 F CA 2.855 60.510 58.000 -0.576 0.000 1.192 398 F CB -0.733 37.672 39.000 -0.991 0.000 0.957 398 F HN 0.156 nan 8.300 nan 0.000 0.491 399 R N 0.608 120.868 120.500 -0.399 0.000 2.080 399 R HA -0.125 4.215 4.340 0.000 0.000 0.236 399 R C -0.743 175.548 176.300 -0.015 0.000 1.137 399 R CA 2.031 57.864 56.100 -0.445 0.000 0.943 399 R CB -1.824 27.976 30.300 -0.833 0.000 0.846 399 R HN 0.208 nan 8.270 nan 0.000 0.431 400 P HA -0.175 nan 4.420 nan 0.000 0.216 400 P C 1.013 178.395 177.300 0.136 0.000 1.153 400 P CA 1.399 64.519 63.100 0.033 0.000 0.858 400 P CB -0.243 31.462 31.700 0.007 0.000 0.789 401 F N -1.415 118.594 119.950 0.098 0.000 2.102 401 F HA -0.224 4.303 4.527 0.000 0.000 0.298 401 F C 2.003 177.986 175.800 0.304 0.000 1.105 401 F CA 1.293 59.405 58.000 0.187 0.000 1.239 401 F CB -0.428 38.761 39.000 0.315 0.000 0.991 401 F HN -0.220 nan 8.300 nan 0.000 0.474 402 F N 1.050 121.091 119.950 0.151 0.000 2.186 402 F HA -0.148 4.379 4.527 0.000 0.000 0.299 402 F C 2.180 178.027 175.800 0.078 0.000 1.090 402 F CA 1.413 59.487 58.000 0.123 0.000 1.307 402 F CB -1.007 38.175 39.000 0.302 0.000 1.019 402 F HN -0.028 nan 8.300 nan 0.000 0.489 403 D N -0.113 120.436 120.400 0.248 0.000 2.144 403 D HA -0.197 4.443 4.640 0.000 0.000 0.199 403 D C 2.233 178.486 176.300 -0.079 0.000 0.984 403 D CA 1.153 55.227 54.000 0.124 0.000 0.834 403 D CB -0.306 40.545 40.800 0.085 0.000 0.955 403 D HN 0.360 nan 8.370 nan 0.000 0.465 404 E N -0.764 119.284 120.200 -0.253 0.000 2.085 404 E HA -0.210 4.140 4.350 0.000 0.000 0.194 404 E C 1.109 177.373 176.600 -0.560 0.000 0.994 404 E CA 1.069 57.163 56.400 -0.509 0.000 0.801 404 E CB -0.034 29.152 29.700 -0.856 0.000 0.743 404 E HN 0.482 nan 8.360 nan 0.000 0.453 405 Y N -1.085 119.096 120.300 -0.198 0.000 2.449 405 Y HA 0.207 4.757 4.550 0.000 0.000 0.254 405 Y C 1.613 177.394 175.900 -0.198 0.000 1.140 405 Y CA -0.255 57.710 58.100 -0.225 0.000 1.272 405 Y CB 0.640 38.898 38.460 -0.336 0.000 1.114 405 Y HN -0.007 nan 8.280 nan 0.000 0.525 406 L N -0.803 120.383 121.223 -0.062 0.000 2.717 406 L HA 0.211 4.551 4.340 0.000 0.000 0.239 406 L C 0.084 176.878 176.870 -0.127 0.000 1.086 406 L CA 0.380 55.161 54.840 -0.098 0.000 0.897 406 L CB 0.455 42.469 42.059 -0.075 0.000 1.214 406 L HN -0.166 nan 8.230 nan 0.000 0.508 407 K N 1.333 121.678 120.400 -0.092 0.000 2.540 407 K HA 0.328 4.648 4.320 0.000 0.000 0.218 407 K C -2.495 174.059 176.600 -0.078 0.000 1.017 407 K CA -1.806 54.424 56.287 -0.094 0.000 1.029 407 K CB 1.344 33.804 32.500 -0.066 0.000 1.348 407 K HN -0.215 nan 8.250 nan 0.000 0.508 408 P HA -0.067 nan 4.420 nan 0.000 0.264 408 P C 0.766 178.033 177.300 -0.054 0.000 1.183 408 P CA 0.951 64.014 63.100 -0.061 0.000 0.763 408 P CB 0.736 32.405 31.700 -0.053 0.000 0.807 409 G N 1.320 110.089 108.800 -0.051 0.000 2.194 409 G HA2 -0.213 3.747 3.960 0.000 0.000 0.236 409 G HA3 -0.213 3.747 3.960 0.000 0.000 0.236 409 G C 0.344 175.216 174.900 -0.047 0.000 0.987 409 G CA -0.088 44.987 45.100 -0.042 0.000 0.635 409 G HN 0.573 nan 8.290 nan 0.000 0.520 410 S N 0.735 116.398 115.700 -0.063 0.000 2.592 410 S HA 0.665 5.135 4.470 0.000 0.000 0.271 410 S C 0.886 175.439 174.600 -0.079 0.000 1.326 410 S CA 0.167 58.327 58.200 -0.066 0.000 1.024 410 S CB 1.510 64.666 63.200 -0.075 0.000 0.921 410 S HN 1.584 nan 8.310 nan 0.000 0.527 411 A N 2.297 125.079 122.820 -0.063 0.000 2.483 411 A HA 0.404 4.724 4.320 0.000 0.000 0.238 411 A C 0.353 177.873 177.584 -0.106 0.000 1.070 411 A CA -0.389 51.612 52.037 -0.059 0.000 0.770 411 A CB -0.017 18.964 19.000 -0.032 0.000 1.008 411 A HN 0.694 nan 8.150 nan 0.000 0.497 412 S N 0.678 116.310 115.700 -0.112 0.000 2.489 412 S HA 0.441 4.911 4.470 0.000 0.000 0.277 412 S C 0.152 174.564 174.600 -0.314 0.000 1.230 412 S CA -0.525 57.537 58.200 -0.229 0.000 1.053 412 S CB 0.770 63.847 63.200 -0.204 0.000 0.955 412 S HN 1.043 nan 8.310 nan 0.000 0.488 413 V N 1.246 120.992 119.914 -0.280 0.000 2.539 413 V HA 0.493 4.613 4.120 0.000 0.000 0.292 413 V C -0.249 175.675 176.094 -0.283 0.000 1.045 413 V CA -0.623 61.578 62.300 -0.166 0.000 0.945 413 V CB 0.692 32.543 31.823 0.047 0.000 0.993 413 V HN 0.885 nan 8.190 nan 0.000 0.464 414 H N 4.841 123.984 119.070 0.122 0.000 2.539 414 H HA 0.448 5.004 4.556 0.000 0.000 0.247 414 H C -0.475 174.931 175.328 0.131 0.000 1.363 414 H CA -0.415 55.714 56.048 0.135 0.000 1.371 414 H CB 0.953 30.774 29.762 0.098 0.000 1.438 414 H HN 0.583 nan 8.280 nan 0.000 0.523 415 L N 3.846 125.191 121.223 0.204 0.000 2.426 415 L HA 0.188 4.528 4.340 0.000 0.000 0.271 415 L C -1.396 175.581 176.870 0.178 0.000 1.169 415 L CA -1.566 53.367 54.840 0.154 0.000 0.836 415 L CB 0.151 42.217 42.059 0.011 0.000 1.112 415 L HN 0.293 nan 8.230 nan 0.000 0.465 416 P HA 0.125 nan 4.420 nan 0.000 0.307 416 P C -0.080 177.338 177.300 0.196 0.000 1.306 416 P CA -0.404 62.813 63.100 0.196 0.000 0.742 416 P CB 0.866 32.692 31.700 0.210 0.000 1.349 417 D N -0.933 119.620 120.400 0.256 0.000 2.084 417 D HA 0.041 4.681 4.640 0.000 0.000 0.194 417 D C 0.556 176.994 176.300 0.230 0.000 0.990 417 D CA 1.462 55.686 54.000 0.374 0.000 0.826 417 D CB -0.272 40.822 40.800 0.490 0.000 0.971 417 D HN 0.486 nan 8.370 nan 0.000 0.453 418 A N -0.359 122.495 122.820 0.056 0.000 2.488 418 A HA 0.624 4.944 4.320 0.000 0.000 0.298 418 A C -1.106 176.275 177.584 -0.338 0.000 1.044 418 A CA -0.588 51.279 52.037 -0.284 0.000 0.693 418 A CB 1.274 19.909 19.000 -0.609 0.000 1.272 418 A HN 0.049 nan 8.150 nan 0.000 0.402 419 I N 3.218 123.526 120.570 -0.436 0.000 2.388 419 I HA 0.350 4.520 4.170 0.000 0.000 0.281 419 I C -0.948 174.981 176.117 -0.314 0.000 1.046 419 I CA -0.055 60.929 61.300 -0.527 0.000 1.187 419 I CB 0.628 38.202 38.000 -0.711 0.000 1.351 419 I HN 0.451 nan 8.210 nan 0.000 0.472 420 I N 5.079 125.431 120.570 -0.364 0.000 2.493 420 I HA 0.290 4.460 4.170 0.000 0.000 0.298 420 I C -0.477 175.408 176.117 -0.387 0.000 0.998 420 I CA -0.971 60.111 61.300 -0.363 0.000 1.137 420 I CB 1.538 39.221 38.000 -0.528 0.000 1.310 420 I HN 0.349 nan 8.210 nan 0.000 0.445 421 Y N 5.619 125.386 120.300 -0.888 0.000 2.335 421 Y HA 0.184 4.734 4.550 0.000 0.000 0.331 421 Y C 0.444 175.916 175.900 -0.713 0.000 1.094 421 Y CA -0.234 57.144 58.100 -1.204 0.000 1.253 421 Y CB 0.548 37.962 38.460 -1.742 0.000 1.203 421 Y HN 0.532 nan 8.280 nan 0.000 0.508 422 N N 4.201 122.247 118.700 -1.089 0.000 2.402 422 N HA -0.031 4.709 4.740 0.000 0.000 0.252 422 N C 0.519 175.552 175.510 -0.794 0.000 1.118 422 N CA 0.489 53.098 53.050 -0.736 0.000 0.945 422 N CB 0.890 39.058 38.487 -0.532 0.000 1.147 422 N HN 0.879 nan 8.380 nan 0.000 0.495 423 T N 0.028 114.345 114.554 -0.396 0.000 3.215 423 T HA 0.112 4.462 4.350 0.000 0.000 0.254 423 T C 1.316 175.965 174.700 -0.085 0.000 1.149 423 T CA 0.483 62.558 62.100 -0.042 0.000 1.042 423 T CB 0.161 69.165 68.868 0.226 0.000 0.966 423 T HN 0.424 nan 8.240 nan 0.000 0.534 424 G N 0.735 109.288 108.800 -0.412 0.000 2.828 424 G HA2 0.091 4.051 3.960 0.000 0.000 0.201 424 G HA3 0.091 4.051 3.960 0.000 0.000 0.201 424 G C 1.180 175.883 174.900 -0.329 0.000 1.102 424 G CA -0.011 44.753 45.100 -0.560 0.000 0.815 424 G HN 0.373 nan 8.290 nan 0.000 0.590 425 D N 0.622 120.830 120.400 -0.320 0.000 2.289 425 D HA 0.038 4.678 4.640 0.000 0.000 0.207 425 D C 0.373 176.541 176.300 -0.220 0.000 0.966 425 D CA 0.495 54.353 54.000 -0.237 0.000 0.868 425 D CB 0.185 40.853 40.800 -0.222 0.000 0.943 425 D HN 0.137 nan 8.370 nan 0.000 0.514 426 Q N -0.214 119.389 119.800 -0.328 0.000 2.456 426 Q HA -0.203 4.137 4.340 0.000 0.000 0.325 426 Q C -0.389 175.444 176.000 -0.278 0.000 1.453 426 Q CA 0.794 56.442 55.803 -0.258 0.000 0.848 426 Q CB -1.957 26.794 28.738 0.022 0.000 1.123 426 Q HN 0.584 nan 8.270 nan 0.000 0.374 427 K N -2.455 117.567 120.400 -0.629 0.000 2.642 427 K HA 0.577 4.897 4.320 0.000 0.000 0.290 427 K C -1.413 174.914 176.600 -0.454 0.000 1.006 427 K CA -0.983 55.122 56.287 -0.304 0.000 0.869 427 K CB 0.711 33.143 32.500 -0.114 0.000 1.499 427 K HN -0.012 nan 8.250 nan 0.000 0.403 428 W N 1.718 122.968 121.300 -0.083 0.000 2.287 428 W HA 0.278 4.938 4.660 0.000 0.000 0.313 428 W C -0.446 175.957 176.519 -0.194 0.000 1.267 428 W CA 0.339 57.616 57.345 -0.113 0.000 1.201 428 W CB 1.066 30.544 29.460 0.029 0.000 1.196 428 W HN 0.401 nan 8.180 nan 0.000 0.536 429 D N 2.539 122.853 120.400 -0.142 0.000 2.256 429 D HA 0.170 4.810 4.640 0.000 0.000 0.240 429 D C -1.249 174.700 176.300 -0.585 0.000 1.062 429 D CA -0.568 53.170 54.000 -0.436 0.000 0.832 429 D CB 0.951 41.252 40.800 -0.831 0.000 1.135 429 D HN 0.235 nan 8.370 nan 0.000 0.484 430 Y N 2.070 122.114 120.300 -0.426 0.000 2.717 430 Y HA 0.222 4.772 4.550 0.000 0.000 0.329 430 Y C -0.197 175.576 175.900 -0.212 0.000 1.017 430 Y CA -0.782 57.160 58.100 -0.263 0.000 1.275 430 Y CB 0.301 38.695 38.460 -0.110 0.000 1.109 430 Y HN 0.292 nan 8.280 nan 0.000 0.511 431 Y N 3.066 123.401 120.300 0.059 0.000 2.452 431 Y HA 0.149 4.699 4.550 0.000 0.000 0.348 431 Y C 1.714 177.709 175.900 0.159 0.000 0.985 431 Y CA -0.497 57.670 58.100 0.112 0.000 1.214 431 Y CB 0.708 39.238 38.460 0.116 0.000 1.136 431 Y HN 0.585 nan 8.280 nan 0.000 0.523 432 R N 1.454 122.144 120.500 0.315 0.000 2.080 432 R HA -0.140 4.200 4.340 0.000 0.000 0.236 432 R C 0.235 176.689 176.300 0.257 0.000 1.137 432 R CA 1.387 57.631 56.100 0.240 0.000 0.943 432 R CB -0.009 30.399 30.300 0.181 0.000 0.846 432 R HN 0.478 nan 8.270 nan 0.000 0.431 433 S N -0.721 115.137 115.700 0.264 0.000 2.596 433 S HA 0.377 4.847 4.470 0.000 0.000 0.318 433 S C -2.018 172.763 174.600 0.301 0.000 1.097 433 S CA -0.789 57.556 58.200 0.243 0.000 1.080 433 S CB 0.783 64.067 63.200 0.140 0.000 0.991 433 S HN 0.343 nan 8.310 nan 0.000 0.471 434 W N 6.607 127.995 121.300 0.146 0.000 2.998 434 W HA 0.616 5.276 4.660 0.000 0.000 0.335 434 W C -2.881 173.746 176.519 0.181 0.000 1.110 434 W CA -1.702 55.696 57.345 0.089 0.000 1.230 434 W CB 1.425 30.944 29.460 0.099 0.000 1.405 434 W HN 0.462 nan 8.180 nan 0.000 0.493 435 P HA 0.243 nan 4.420 nan 0.000 0.278 435 P C 0.276 177.293 177.300 -0.472 0.000 1.258 435 P CA -0.256 62.130 63.100 -1.189 0.000 0.811 435 P CB 1.656 32.522 31.700 -1.390 0.000 1.063 436 S N -0.783 114.686 115.700 -0.385 0.000 2.501 436 S HA 0.135 4.605 4.470 0.000 0.000 0.220 436 S C 0.628 175.112 174.600 -0.193 0.000 0.997 436 S CA 0.160 58.239 58.200 -0.202 0.000 0.919 436 S CB -0.705 62.408 63.200 -0.143 0.000 0.778 436 S HN 0.384 nan 8.310 nan 0.000 0.523 437 V N -0.136 119.626 119.914 -0.254 0.000 2.709 437 V HA 0.902 5.022 4.120 0.000 0.000 0.308 437 V C -0.301 175.658 176.094 -0.225 0.000 1.062 437 V CA -0.892 61.292 62.300 -0.194 0.000 0.901 437 V CB 0.331 32.064 31.823 -0.151 0.000 1.003 437 V HN 0.853 nan 8.190 nan 0.000 0.425 438 C N 1.517 120.719 119.300 -0.164 0.000 3.249 438 C HA 0.584 5.044 4.460 0.000 0.000 0.350 438 C C 0.992 175.929 174.990 -0.088 0.000 1.431 438 C CA -0.073 58.856 59.018 -0.148 0.000 1.209 438 C CB 1.206 28.838 27.740 -0.180 0.000 1.546 438 C HN 0.985 nan 8.230 nan 0.000 0.450 439 E N 1.220 121.386 120.200 -0.056 0.000 2.015 439 E HA -0.020 4.330 4.350 0.000 0.000 0.191 439 E C 0.889 177.475 176.600 -0.023 0.000 0.991 439 E CA 1.874 58.264 56.400 -0.018 0.000 0.802 439 E CB 0.034 29.751 29.700 0.029 0.000 0.759 439 E HN 0.801 nan 8.360 nan 0.000 0.447 440 S N 0.004 115.688 115.700 -0.027 0.000 2.502 440 S HA 0.341 4.811 4.470 0.000 0.000 0.304 440 S C -0.720 173.855 174.600 -0.041 0.000 1.097 440 S CA -0.660 57.525 58.200 -0.026 0.000 1.045 440 S CB 0.990 64.182 63.200 -0.013 0.000 1.019 440 S HN 0.330 nan 8.310 nan 0.000 0.481 441 N N 0.739 119.416 118.700 -0.038 0.000 2.753 441 N HA -0.125 4.615 4.740 0.000 0.000 0.252 441 N C -1.140 174.334 175.510 -0.059 0.000 1.071 441 N CA 0.817 53.841 53.050 -0.043 0.000 0.690 441 N CB -1.843 36.620 38.487 -0.040 0.000 0.906 441 N HN 0.674 nan 8.380 nan 0.000 0.552 442 C N -1.113 118.150 119.300 -0.061 0.000 2.888 442 C HA 0.422 4.882 4.460 0.000 0.000 0.308 442 C C 2.149 177.102 174.990 -0.061 0.000 1.213 442 C CA -0.464 58.508 59.018 -0.077 0.000 1.461 442 C CB 1.459 29.132 27.740 -0.112 0.000 1.934 442 C HN 0.613 nan 8.230 nan 0.000 0.474 443 T N 1.330 115.850 114.554 -0.058 0.000 2.714 443 T HA -0.042 4.308 4.350 0.000 0.000 0.268 443 T C 0.777 175.450 174.700 -0.045 0.000 1.036 443 T CA 2.140 64.215 62.100 -0.043 0.000 1.148 443 T CB -0.190 68.654 68.868 -0.039 0.000 0.856 443 T HN 0.994 nan 8.240 nan 0.000 0.462 444 G N -1.301 107.462 108.800 -0.060 0.000 2.708 444 G HA2 0.608 4.568 3.960 0.000 0.000 0.289 444 G HA3 0.608 4.568 3.960 0.000 0.000 0.289 444 G C -0.460 174.401 174.900 -0.065 0.000 1.416 444 G CA -0.277 44.789 45.100 -0.056 0.000 0.829 444 G HN 0.369 nan 8.290 nan 0.000 0.480 445 G N -1.477 107.290 108.800 -0.054 0.000 2.613 445 G HA2 0.597 4.557 3.960 0.000 0.000 0.303 445 G HA3 0.597 4.557 3.960 0.000 0.000 0.303 445 G C -0.416 174.448 174.900 -0.060 0.000 1.312 445 G CA -0.929 44.140 45.100 -0.052 0.000 1.036 445 G HN 0.635 nan 8.290 nan 0.000 0.513 446 L N 0.192 121.383 121.223 -0.053 0.000 2.375 446 L HA 0.393 4.733 4.340 0.000 0.000 0.271 446 L C 0.223 177.065 176.870 -0.046 0.000 1.107 446 L CA -0.633 54.173 54.840 -0.056 0.000 0.806 446 L CB 1.518 43.541 42.059 -0.060 0.000 1.146 446 L HN 0.401 nan 8.230 nan 0.000 0.447 447 T N 0.987 115.516 114.554 -0.043 0.000 2.749 447 T HA 0.409 4.759 4.350 0.000 0.000 0.287 447 T C -2.546 172.148 174.700 -0.010 0.000 0.970 447 T CA -1.851 60.232 62.100 -0.028 0.000 0.980 447 T CB 1.050 69.873 68.868 -0.076 0.000 0.924 447 T HN 0.271 nan 8.240 nan 0.000 0.456 448 P HA 0.330 nan 4.420 nan 0.000 0.279 448 P C -0.868 176.230 177.300 -0.337 0.000 1.239 448 P CA -0.845 62.044 63.100 -0.352 0.000 0.789 448 P CB 0.531 31.789 31.700 -0.737 0.000 0.933 449 L N 5.137 126.122 121.223 -0.396 0.000 2.301 449 L HA 0.409 4.749 4.340 0.000 0.000 0.278 449 L C -1.179 175.413 176.870 -0.463 0.000 1.022 449 L CA -0.764 53.782 54.840 -0.489 0.000 0.854 449 L CB -0.482 41.265 42.059 -0.520 0.000 1.226 449 L HN 0.202 nan 8.230 nan 0.000 0.429 450 Y N 3.987 124.154 120.300 -0.221 0.000 2.301 450 Y HA 0.376 4.926 4.550 0.000 0.000 0.328 450 Y C 0.141 175.900 175.900 -0.235 0.000 1.242 450 Y CA -0.310 57.673 58.100 -0.194 0.000 1.323 450 Y CB 0.670 39.046 38.460 -0.141 0.000 1.266 450 Y HN 0.387 nan 8.280 nan 0.000 0.527 451 L N 2.176 123.350 121.223 -0.081 0.000 2.349 451 L HA 0.552 4.892 4.340 0.000 0.000 0.275 451 L C 0.261 177.024 176.870 -0.179 0.000 1.115 451 L CA 0.191 54.840 54.840 -0.317 0.000 0.820 451 L CB 0.479 42.207 42.059 -0.551 0.000 1.135 451 L HN 0.835 nan 8.230 nan 0.000 0.445 452 A N 2.471 125.152 122.820 -0.232 0.000 2.443 452 A HA 0.512 4.832 4.320 0.000 0.000 0.278 452 A C -0.701 176.588 177.584 -0.491 0.000 1.252 452 A CA -0.664 51.226 52.037 -0.245 0.000 0.816 452 A CB 0.723 19.674 19.000 -0.082 0.000 1.369 452 A HN 0.591 nan 8.150 nan 0.000 0.446 453 D N -0.910 119.317 120.400 -0.289 0.000 2.357 453 D HA 0.392 5.032 4.640 0.000 0.000 0.242 453 D C 1.178 177.434 176.300 -0.073 0.000 1.153 453 D CA 1.643 55.535 54.000 -0.181 0.000 0.918 453 D CB 0.883 41.695 40.800 0.021 0.000 1.181 453 D HN 1.371 nan 8.370 nan 0.000 0.435 454 G N 2.131 110.933 108.800 0.003 0.000 2.160 454 G HA2 -0.303 3.657 3.960 0.000 0.000 0.251 454 G HA3 -0.303 3.657 3.960 0.000 0.000 0.251 454 G C 0.452 175.420 174.900 0.114 0.000 1.008 454 G CA 0.644 45.783 45.100 0.065 0.000 0.724 454 G HN 0.871 nan 8.290 nan 0.000 0.514 455 H N -1.902 117.102 119.070 -0.109 0.000 2.713 455 H HA -0.152 4.404 4.556 0.000 0.000 0.311 455 H C 1.279 176.597 175.328 -0.017 0.000 1.175 455 H CA 1.451 57.381 56.048 -0.197 0.000 1.143 455 H CB -1.300 28.253 29.762 -0.347 0.000 1.434 455 H HN 1.353 nan 8.280 nan 0.000 0.418 456 G N -0.077 108.799 108.800 0.127 0.000 2.667 456 G HA2 0.657 4.617 3.960 0.000 0.000 0.310 456 G HA3 0.657 4.617 3.960 0.000 0.000 0.310 456 G C -0.412 174.523 174.900 0.059 0.000 1.259 456 G CA -0.844 44.303 45.100 0.079 0.000 1.019 456 G HN 0.124 nan 8.290 nan 0.000 0.496 457 L N 0.501 121.705 121.223 -0.031 0.000 2.409 457 L HA 0.592 4.932 4.340 0.000 0.000 0.272 457 L C -0.194 176.569 176.870 -0.178 0.000 0.980 457 L CA -0.598 54.163 54.840 -0.132 0.000 0.826 457 L CB 2.235 44.180 42.059 -0.190 0.000 1.268 457 L HN 0.529 nan 8.230 nan 0.000 0.407 458 S N 1.095 116.701 115.700 -0.156 0.000 2.548 458 S HA 0.543 5.013 4.470 0.000 0.000 0.286 458 S C 0.313 174.867 174.600 -0.077 0.000 1.098 458 S CA -0.468 57.670 58.200 -0.104 0.000 0.930 458 S CB 1.084 64.293 63.200 0.016 0.000 1.070 458 S HN 0.480 nan 8.310 nan 0.000 0.480 459 F N 1.557 121.555 119.950 0.080 0.000 2.615 459 F HA 0.117 4.644 4.527 0.000 0.000 0.297 459 F C 1.562 177.486 175.800 0.208 0.000 1.124 459 F CA 0.319 58.375 58.000 0.093 0.000 1.451 459 F CB 0.343 39.363 39.000 0.033 0.000 1.103 459 F HN 0.378 nan 8.300 nan 0.000 0.569 460 T N -0.351 114.395 114.554 0.319 0.000 2.749 460 T HA 0.001 4.351 4.350 0.000 0.000 0.295 460 T C -0.377 174.420 174.700 0.161 0.000 0.936 460 T CA -0.290 61.946 62.100 0.227 0.000 1.060 460 T CB -0.077 68.869 68.868 0.130 0.000 0.904 460 T HN 0.169 nan 8.240 nan 0.000 0.500 461 H N 5.508 124.520 119.070 -0.098 0.000 3.226 461 H HA 0.097 4.653 4.556 0.000 0.000 0.260 461 H C -2.042 173.053 175.328 -0.388 0.000 0.967 461 H CA -1.647 54.005 56.048 -0.660 0.000 1.435 461 H CB 0.290 29.738 29.762 -0.523 0.000 1.533 461 H HN 0.285 nan 8.280 nan 0.000 0.525 462 P HA -0.014 nan 4.420 nan 0.000 0.265 462 P C -0.025 177.231 177.300 -0.074 0.000 1.222 462 P CA 0.073 63.150 63.100 -0.039 0.000 0.767 462 P CB 1.093 32.797 31.700 0.006 0.000 0.801 463 A N 4.333 127.084 122.820 -0.115 0.000 1.929 463 A HA 0.130 4.450 4.320 0.000 0.000 0.216 463 A C 1.246 178.771 177.584 -0.099 0.000 1.176 463 A CA 1.016 52.959 52.037 -0.156 0.000 0.628 463 A CB -0.951 17.971 19.000 -0.131 0.000 0.816 463 A HN 0.579 nan 8.150 nan 0.000 0.444 464 A N 1.137 123.925 122.820 -0.054 0.000 2.522 464 A HA 0.321 4.641 4.320 0.000 0.000 0.256 464 A C -0.471 177.080 177.584 -0.055 0.000 1.086 464 A CA -0.161 51.854 52.037 -0.037 0.000 0.763 464 A CB -0.094 18.903 19.000 -0.005 0.000 1.024 464 A HN 0.420 nan 8.150 nan 0.000 0.502 465 D N 1.711 122.068 120.400 -0.073 0.000 2.312 465 D HA 0.500 5.140 4.640 0.000 0.000 0.252 465 D C 0.422 176.563 176.300 -0.265 0.000 1.150 465 D CA 1.079 55.013 54.000 -0.110 0.000 0.870 465 D CB 1.580 42.386 40.800 0.009 0.000 1.153 465 D HN 0.757 nan 8.370 nan 0.000 0.457 466 G N 0.096 108.455 108.800 -0.736 0.000 2.649 466 G HA2 0.675 4.635 3.960 0.000 0.000 0.290 466 G HA3 0.675 4.635 3.960 0.000 0.000 0.290 466 G C -1.881 172.223 174.900 -1.327 0.000 1.426 466 G CA -0.526 44.071 45.100 -0.839 0.000 0.794 466 G HN 0.544 nan 8.290 nan 0.000 0.483 467 A N 0.144 122.625 122.820 -0.565 0.000 2.574 467 A HA 0.759 5.079 4.320 0.000 0.000 0.297 467 A C -1.948 175.686 177.584 0.084 0.000 1.062 467 A CA -0.673 51.232 52.037 -0.219 0.000 0.686 467 A CB 1.985 20.946 19.000 -0.066 0.000 1.285 467 A HN 0.464 nan 8.150 nan 0.000 0.403 468 D N 1.680 122.196 120.400 0.193 0.000 2.375 468 D HA 0.572 5.212 4.640 0.000 0.000 0.247 468 D C -0.322 176.115 176.300 0.227 0.000 1.061 468 D CA 0.112 54.229 54.000 0.195 0.000 0.834 468 D CB 2.019 42.891 40.800 0.120 0.000 1.247 468 D HN 0.640 nan 8.370 nan 0.000 0.489 469 S N 1.174 116.995 115.700 0.201 0.000 2.568 469 S HA 0.794 5.264 4.470 0.000 0.000 0.302 469 S C -0.920 173.825 174.600 0.241 0.000 1.082 469 S CA -0.770 57.531 58.200 0.168 0.000 1.009 469 S CB 1.452 64.701 63.200 0.082 0.000 1.069 469 S HN 0.446 nan 8.310 nan 0.000 0.500 470 Y N -0.865 119.519 120.300 0.140 0.000 2.524 470 Y HA 0.776 5.326 4.550 0.000 0.000 0.347 470 Y C -1.273 174.692 175.900 0.108 0.000 1.005 470 Y CA -1.539 56.631 58.100 0.116 0.000 1.025 470 Y CB 0.770 39.303 38.460 0.122 0.000 1.275 470 Y HN 0.489 nan 8.280 nan 0.000 0.460 471 V N 3.119 123.144 119.914 0.185 0.000 2.432 471 V HA 0.370 4.490 4.120 0.000 0.000 0.275 471 V C -0.051 176.146 176.094 0.172 0.000 1.043 471 V CA -0.122 62.239 62.300 0.102 0.000 0.925 471 V CB 1.388 33.263 31.823 0.087 0.000 0.985 471 V HN 0.856 nan 8.190 nan 0.000 0.466 472 S N 3.783 119.546 115.700 0.104 0.000 2.528 472 S HA 0.278 4.748 4.470 0.000 0.000 0.303 472 S C -0.608 174.045 174.600 0.089 0.000 1.123 472 S CA -0.773 57.507 58.200 0.132 0.000 1.138 472 S CB 0.599 63.859 63.200 0.101 0.000 0.984 472 S HN 0.787 nan 8.310 nan 0.000 0.474 473 D N 5.133 125.600 120.400 0.112 0.000 2.359 473 D HA 0.422 5.062 4.640 0.000 0.000 0.230 473 D C -1.696 174.652 176.300 0.079 0.000 1.118 473 D CA -2.298 51.770 54.000 0.114 0.000 0.844 473 D CB 1.790 42.695 40.800 0.176 0.000 1.059 473 D HN 0.243 nan 8.370 nan 0.000 0.493 474 P HA -0.039 nan 4.420 nan 0.000 0.223 474 P C 0.662 177.844 177.300 -0.198 0.000 1.144 474 P CA 0.739 63.796 63.100 -0.072 0.000 0.783 474 P CB 0.241 31.943 31.700 0.003 0.000 0.771 475 A N -1.682 121.050 122.820 -0.147 0.000 2.238 475 A HA -0.034 4.286 4.320 0.000 0.000 0.208 475 A C 0.217 177.462 177.584 -0.565 0.000 1.177 475 A CA 0.752 52.595 52.037 -0.324 0.000 0.804 475 A CB -0.989 17.852 19.000 -0.265 0.000 0.823 475 A HN 0.266 nan 8.150 nan 0.000 0.482 476 H N -0.385 118.670 119.070 -0.024 0.000 2.597 476 H HA 0.240 4.796 4.556 0.000 0.000 0.225 476 H C -2.869 172.504 175.328 0.075 0.000 1.422 476 H CA -1.438 54.650 56.048 0.066 0.000 1.335 476 H CB 0.614 30.422 29.762 0.076 0.000 1.783 476 H HN 0.237 nan 8.280 nan 0.000 0.513 477 P HA 0.009 nan 4.420 nan 0.000 0.271 477 P C 0.188 177.667 177.300 0.297 0.000 1.218 477 P CA -0.273 62.861 63.100 0.057 0.000 0.780 477 P CB 1.628 33.157 31.700 -0.284 0.000 0.901 478 V N 4.944 125.025 119.914 0.278 0.000 2.470 478 V HA 0.096 4.216 4.120 0.000 0.000 0.276 478 V C -1.911 174.446 176.094 0.438 0.000 1.040 478 V CA -1.332 61.156 62.300 0.313 0.000 1.008 478 V CB 0.048 32.010 31.823 0.231 0.000 0.990 478 V HN 0.541 nan 8.190 nan 0.000 0.477 479 P HA 0.033 nan 4.420 nan 0.000 0.267 479 P C 0.565 178.009 177.300 0.240 0.000 1.209 479 P CA -0.155 63.164 63.100 0.365 0.000 0.763 479 P CB 0.228 32.012 31.700 0.140 0.000 0.816 480 F N 5.214 125.139 119.950 -0.041 0.000 2.333 480 F HA 0.045 4.572 4.527 0.000 0.000 0.300 480 F C 0.527 176.137 175.800 -0.315 0.000 1.083 480 F CA 0.284 58.082 58.000 -0.338 0.000 1.395 480 F CB -0.791 37.555 39.000 -1.091 0.000 1.056 480 F HN 0.147 nan 8.300 nan 0.000 0.529 481 I N -3.500 116.505 120.570 -0.941 0.000 2.841 481 I HA 0.441 4.611 4.170 0.000 0.000 0.298 481 I C -0.221 175.648 176.117 -0.415 0.000 1.304 481 I CA -1.370 59.516 61.300 -0.689 0.000 1.019 481 I CB 1.644 39.074 38.000 -0.951 0.000 1.282 481 I HN -0.252 nan 8.210 nan 0.000 0.432 482 S N 2.974 118.540 115.700 -0.223 0.000 2.715 482 S HA 0.018 4.488 4.470 0.000 0.000 0.318 482 S C 0.312 174.845 174.600 -0.112 0.000 1.242 482 S CA -0.030 58.090 58.200 -0.134 0.000 1.044 482 S CB -0.136 63.009 63.200 -0.093 0.000 0.760 482 S HN 0.508 nan 8.310 nan 0.000 0.501 483 R N 2.869 123.305 120.500 -0.105 0.000 2.539 483 R HA 0.322 4.662 4.340 0.000 0.000 0.275 483 R C -1.978 174.290 176.300 -0.052 0.000 1.077 483 R CA -1.204 54.845 56.100 -0.086 0.000 1.097 483 R CB 0.050 30.232 30.300 -0.197 0.000 1.018 483 R HN 0.442 nan 8.270 nan 0.000 0.483 484 P HA 0.287 nan 4.420 nan 0.000 0.285 484 P C -1.431 175.914 177.300 0.077 0.000 1.269 484 P CA -0.438 62.672 63.100 0.016 0.000 0.844 484 P CB 0.795 32.497 31.700 0.004 0.000 1.094 485 F N 0.636 120.540 119.950 -0.077 0.000 2.574 485 F HA 0.668 5.195 4.527 0.000 0.000 0.313 485 F C -1.655 174.065 175.800 -0.133 0.000 1.130 485 F CA -0.618 57.312 58.000 -0.116 0.000 0.936 485 F CB 1.672 40.557 39.000 -0.192 0.000 1.219 485 F HN 0.539 nan 8.300 nan 0.000 0.445 486 A N 5.348 127.525 122.820 -1.071 0.000 2.355 486 A HA 0.527 4.847 4.320 0.000 0.000 0.324 486 A C -0.213 176.534 177.584 -1.395 0.000 1.117 486 A CA -0.665 50.811 52.037 -0.935 0.000 0.785 486 A CB 0.523 19.288 19.000 -0.391 0.000 1.254 486 A HN 0.921 nan 8.150 nan 0.000 0.453 487 F N 1.303 120.776 119.950 -0.796 0.000 2.307 487 F HA -0.162 4.365 4.527 0.000 0.000 0.301 487 F C 2.485 178.061 175.800 -0.374 0.000 1.076 487 F CA 1.604 59.273 58.000 -0.553 0.000 1.383 487 F CB 0.171 38.963 39.000 -0.346 0.000 1.055 487 F HN 0.656 nan 8.300 nan 0.000 0.526 488 A N -0.776 121.957 122.820 -0.145 0.000 2.119 488 A HA -0.100 4.220 4.320 0.000 0.000 0.217 488 A C 1.268 178.807 177.584 -0.076 0.000 1.153 488 A CA 0.304 52.292 52.037 -0.081 0.000 0.692 488 A CB -0.497 18.465 19.000 -0.063 0.000 0.799 488 A HN 0.330 nan 8.150 nan 0.000 0.458 489 Q N 1.056 120.762 119.800 -0.155 0.000 2.815 489 Q HA 0.156 4.496 4.340 0.000 0.000 0.235 489 Q C 0.826 176.904 176.000 0.129 0.000 1.354 489 Q CA -0.090 55.686 55.803 -0.046 0.000 0.953 489 Q CB 0.102 28.778 28.738 -0.103 0.000 1.613 489 Q HN 0.666 nan 8.270 nan 0.000 0.572 490 S N -0.269 115.508 115.700 0.129 0.000 2.370 490 S HA -0.212 4.258 4.470 0.000 0.000 0.226 490 S C 1.931 176.672 174.600 0.235 0.000 1.033 490 S CA 1.476 59.808 58.200 0.221 0.000 1.011 490 S CB -0.104 63.176 63.200 0.134 0.000 0.852 490 S HN 0.660 nan 8.310 nan 0.000 0.457 491 S N 2.264 118.049 115.700 0.141 0.000 2.419 491 S HA -0.090 4.380 4.470 0.000 0.000 0.235 491 S C 1.751 176.430 174.600 0.133 0.000 1.019 491 S CA 0.829 59.091 58.200 0.103 0.000 0.982 491 S CB -0.310 62.925 63.200 0.058 0.000 0.789 491 S HN 0.477 nan 8.310 nan 0.000 0.490 492 R N -0.631 119.994 120.500 0.208 0.000 2.156 492 R HA 0.118 4.458 4.340 0.000 0.000 0.207 492 R C 2.106 178.600 176.300 0.323 0.000 1.040 492 R CA 0.604 56.841 56.100 0.228 0.000 1.013 492 R CB -0.286 30.181 30.300 0.278 0.000 0.931 492 R HN 0.625 nan 8.270 nan 0.000 0.465 493 W N 3.032 124.510 121.300 0.296 0.000 2.353 493 W HA -0.189 4.471 4.660 0.000 0.000 0.319 493 W C 1.257 177.972 176.519 0.327 0.000 1.207 493 W CA 1.400 58.961 57.345 0.360 0.000 1.291 493 W CB -0.090 29.600 29.460 0.383 0.000 1.159 493 W HN -0.051 nan 8.180 nan 0.000 0.478 494 K N -0.005 120.474 120.400 0.131 0.000 2.049 494 K HA -0.212 4.108 4.320 0.000 0.000 0.219 494 K C -1.168 175.344 176.600 -0.147 0.000 1.056 494 K CA 2.155 58.420 56.287 -0.037 0.000 0.946 494 K CB -1.821 30.721 32.500 0.069 0.000 0.723 494 K HN 0.198 nan 8.250 nan 0.000 0.453 495 P HA 0.005 nan 4.420 nan 0.000 0.240 495 P C 0.159 177.369 177.300 -0.150 0.000 1.854 495 P CA -0.273 62.739 63.100 -0.147 0.000 1.081 495 P CB -0.786 30.854 31.700 -0.101 0.000 1.646 496 W N 0.038 121.164 121.300 -0.291 0.000 2.518 496 W HA 0.027 4.687 4.660 0.000 0.000 0.273 496 W C 0.216 176.599 176.519 -0.228 0.000 1.247 496 W CA 0.027 57.192 57.345 -0.300 0.000 1.288 496 W CB -1.048 28.179 29.460 -0.388 0.000 1.107 496 W HN -0.137 nan 8.180 nan 0.000 0.586 497 L N 2.141 122.808 121.223 -0.927 0.000 2.552 497 L HA -0.100 4.240 4.340 0.000 0.000 0.227 497 L C 1.935 178.585 176.870 -0.367 0.000 1.146 497 L CA 0.608 54.935 54.840 -0.855 0.000 0.858 497 L CB -0.209 41.423 42.059 -0.711 0.000 0.969 497 L HN -0.042 nan 8.230 nan 0.000 0.451 498 V N -5.424 114.263 119.914 -0.378 0.000 3.528 498 V HA 0.189 4.309 4.120 0.000 0.000 0.294 498 V C 0.909 176.967 176.094 -0.059 0.000 1.404 498 V CA -0.452 61.630 62.300 -0.362 0.000 1.065 498 V CB -0.262 31.162 31.823 -0.665 0.000 0.904 498 V HN 0.103 nan 8.190 nan 0.000 0.435 499 Q N 1.808 121.590 119.800 -0.030 0.000 2.474 499 Q HA 0.190 4.530 4.340 0.000 0.000 0.256 499 Q C -0.117 175.852 176.000 -0.052 0.000 1.048 499 Q CA 0.317 56.136 55.803 0.027 0.000 0.922 499 Q CB 0.474 29.218 28.738 0.010 0.000 1.288 499 Q HN 0.476 nan 8.270 nan 0.000 0.484 500 D N 1.225 121.468 120.400 -0.263 0.000 2.458 500 D HA -0.060 4.580 4.640 0.000 0.000 0.243 500 D C 0.235 176.381 176.300 -0.256 0.000 1.146 500 D CA 0.187 53.810 54.000 -0.628 0.000 0.877 500 D CB 0.761 41.139 40.800 -0.703 0.000 1.176 500 D HN 0.174 nan 8.370 nan 0.000 0.461 501 Q N 2.964 122.644 119.800 -0.199 0.000 2.280 501 Q HA 0.108 4.448 4.340 0.000 0.000 0.201 501 Q C 1.488 177.452 176.000 -0.060 0.000 0.890 501 Q CA 0.027 55.802 55.803 -0.046 0.000 0.947 501 Q CB 0.210 28.966 28.738 0.030 0.000 1.081 501 Q HN 0.488 nan 8.270 nan 0.000 0.502 502 R N 0.338 120.763 120.500 -0.125 0.000 2.152 502 R HA -0.109 4.231 4.340 0.000 0.000 0.232 502 R C 1.820 178.082 176.300 -0.063 0.000 1.117 502 R CA 0.887 56.930 56.100 -0.095 0.000 0.981 502 R CB 0.233 30.459 30.300 -0.123 0.000 0.870 502 R HN 0.341 nan 8.270 nan 0.000 0.451 503 E N 0.360 120.526 120.200 -0.057 0.000 2.047 503 E HA -0.175 4.175 4.350 0.000 0.000 0.191 503 E C 1.871 178.464 176.600 -0.012 0.000 0.987 503 E CA 1.164 57.543 56.400 -0.035 0.000 0.799 503 E CB 0.013 29.692 29.700 -0.034 0.000 0.752 503 E HN 0.318 nan 8.360 nan 0.000 0.449 504 A N 1.564 124.391 122.820 0.011 0.000 1.865 504 A HA -0.277 4.043 4.320 0.000 0.000 0.217 504 A C 2.056 179.637 177.584 -0.004 0.000 1.191 504 A CA 1.990 54.044 52.037 0.029 0.000 0.623 504 A CB -0.810 18.231 19.000 0.069 0.000 0.826 504 A HN 0.483 nan 8.150 nan 0.000 0.444 505 E N 0.426 120.617 120.200 -0.015 0.000 2.147 505 E HA -0.257 4.093 4.350 0.000 0.000 0.199 505 E C 1.907 178.480 176.600 -0.045 0.000 1.005 505 E CA 1.872 58.251 56.400 -0.035 0.000 0.810 505 E CB -0.199 29.478 29.700 -0.038 0.000 0.736 505 E HN 0.712 nan 8.360 nan 0.000 0.460 506 S N -0.312 115.366 115.700 -0.038 0.000 2.603 506 S HA -0.009 4.461 4.470 0.000 0.000 0.229 506 S C 0.661 175.242 174.600 -0.031 0.000 0.972 506 S CA -0.225 57.951 58.200 -0.038 0.000 0.935 506 S CB -0.109 63.070 63.200 -0.035 0.000 0.769 506 S HN 0.129 nan 8.310 nan 0.000 0.536 507 R N 1.911 122.397 120.500 -0.023 0.000 2.349 507 R HA 0.314 4.654 4.340 0.000 0.000 0.299 507 R C -1.803 174.491 176.300 -0.010 0.000 1.027 507 R CA -2.016 54.078 56.100 -0.010 0.000 0.958 507 R CB 0.524 30.829 30.300 0.009 0.000 1.047 507 R HN 0.175 nan 8.270 nan 0.000 0.468 508 P HA -0.087 nan 4.420 nan 0.000 0.239 508 P C -0.404 176.943 177.300 0.078 0.000 1.184 508 P CA 0.951 64.069 63.100 0.029 0.000 0.760 508 P CB 0.236 31.951 31.700 0.025 0.000 0.884 509 D N -0.728 119.711 120.400 0.066 0.000 2.559 509 D HA 0.164 4.804 4.640 0.000 0.000 0.234 509 D C -0.292 175.945 176.300 -0.105 0.000 1.226 509 D CA -0.843 53.233 54.000 0.128 0.000 0.830 509 D CB -0.114 40.787 40.800 0.170 0.000 1.028 509 D HN -0.072 nan 8.370 nan 0.000 0.492 510 V N 0.575 120.367 119.914 -0.203 0.000 2.610 510 V HA 0.261 4.381 4.120 0.000 0.000 0.298 510 V C 0.049 175.990 176.094 -0.255 0.000 1.067 510 V CA -1.266 60.830 62.300 -0.339 0.000 0.894 510 V CB 1.912 33.648 31.823 -0.145 0.000 1.015 510 V HN 0.165 nan 8.190 nan 0.000 0.432 511 V N 1.774 121.495 119.914 -0.322 0.000 2.488 511 V HA 0.700 4.820 4.120 0.000 0.000 0.277 511 V C 0.248 176.317 176.094 -0.042 0.000 1.046 511 V CA 0.061 62.317 62.300 -0.074 0.000 0.986 511 V CB 0.881 32.773 31.823 0.115 0.000 0.989 511 V HN 0.846 nan 8.190 nan 0.000 0.475 512 T N 5.260 119.749 114.554 -0.108 0.000 2.792 512 T HA 0.691 5.041 4.350 0.000 0.000 0.280 512 T C -1.017 173.575 174.700 -0.180 0.000 0.990 512 T CA -0.117 61.948 62.100 -0.059 0.000 0.960 512 T CB 0.933 69.771 68.868 -0.050 0.000 0.939 512 T HN 0.626 nan 8.240 nan 0.000 0.439 513 Y N 1.410 121.731 120.300 0.035 0.000 2.524 513 Y HA 0.623 5.173 4.550 0.000 0.000 0.344 513 Y C 0.407 176.291 175.900 -0.028 0.000 1.012 513 Y CA -1.129 56.972 58.100 0.002 0.000 1.068 513 Y CB 1.898 40.321 38.460 -0.062 0.000 1.249 513 Y HN 0.726 nan 8.280 nan 0.000 0.468 514 E N -1.209 119.056 120.200 0.109 0.000 2.375 514 E HA 0.468 4.818 4.350 0.000 0.000 0.280 514 E C -1.307 175.287 176.600 -0.010 0.000 0.972 514 E CA -1.240 55.175 56.400 0.026 0.000 0.782 514 E CB 1.576 31.287 29.700 0.018 0.000 1.229 514 E HN 0.519 nan 8.360 nan 0.000 0.439 515 T N -0.448 114.074 114.554 -0.054 0.000 2.754 515 T HA 0.245 4.595 4.350 0.000 0.000 0.286 515 T C 0.302 174.993 174.700 -0.014 0.000 0.997 515 T CA -0.818 61.245 62.100 -0.062 0.000 0.982 515 T CB 0.790 69.595 68.868 -0.105 0.000 1.027 515 T HN 0.444 nan 8.240 nan 0.000 0.529 516 E N 0.370 120.570 120.200 0.000 0.000 2.349 516 E HA 0.258 4.608 4.350 0.000 0.000 0.265 516 E C -0.049 176.573 176.600 0.036 0.000 1.064 516 E CA -0.476 55.935 56.400 0.019 0.000 0.886 516 E CB 1.311 31.025 29.700 0.023 0.000 1.036 516 E HN 0.527 nan 8.360 nan 0.000 0.413 517 V N 3.614 123.554 119.914 0.043 0.000 2.644 517 V HA -0.163 3.957 4.120 0.000 0.000 0.303 517 V C 0.777 176.917 176.094 0.076 0.000 1.058 517 V CA 0.575 62.914 62.300 0.065 0.000 1.228 517 V CB -0.742 31.115 31.823 0.057 0.000 0.861 517 V HN 0.411 nan 8.190 nan 0.000 0.484 518 L N 5.789 127.074 121.223 0.104 0.000 2.499 518 L HA 0.157 4.497 4.340 0.000 0.000 0.273 518 L C 1.075 177.999 176.870 0.090 0.000 1.195 518 L CA 0.095 54.997 54.840 0.105 0.000 0.882 518 L CB 0.174 42.314 42.059 0.135 0.000 1.133 518 L HN 0.653 nan 8.230 nan 0.000 0.483 519 D N 0.758 121.203 120.400 0.074 0.000 2.389 519 D HA 0.083 4.723 4.640 0.000 0.000 0.206 519 D C 0.256 176.587 176.300 0.052 0.000 1.055 519 D CA 0.481 54.516 54.000 0.058 0.000 0.856 519 D CB 0.906 41.735 40.800 0.048 0.000 0.957 519 D HN 0.427 nan 8.370 nan 0.000 0.509 520 E N 1.208 121.444 120.200 0.060 0.000 2.292 520 E HA 0.317 4.667 4.350 0.000 0.000 0.272 520 E C -2.564 174.075 176.600 0.064 0.000 0.881 520 E CA -2.007 54.422 56.400 0.049 0.000 0.754 520 E CB 3.018 32.741 29.700 0.039 0.000 1.201 520 E HN -0.090 nan 8.360 nan 0.000 0.425 521 P HA 0.181 nan 4.420 nan 0.000 0.275 521 P C -0.405 176.943 177.300 0.081 0.000 1.228 521 P CA -0.389 62.745 63.100 0.056 0.000 0.786 521 P CB 0.868 32.570 31.700 0.003 0.000 0.927 522 V N 4.598 124.610 119.914 0.163 0.000 2.378 522 V HA 0.314 4.434 4.120 0.000 0.000 0.288 522 V C 0.640 176.868 176.094 0.223 0.000 1.016 522 V CA -0.653 61.766 62.300 0.197 0.000 0.840 522 V CB 1.053 33.050 31.823 0.290 0.000 0.994 522 V HN 0.464 nan 8.190 nan 0.000 0.431 523 R N 3.907 124.466 120.500 0.099 0.000 2.265 523 R HA 0.696 5.036 4.340 0.000 0.000 0.319 523 R C -0.792 175.554 176.300 0.078 0.000 1.006 523 R CA -0.565 55.565 56.100 0.050 0.000 0.880 523 R CB 1.614 31.914 30.300 0.001 0.000 1.077 523 R HN 0.574 nan 8.270 nan 0.000 0.454 524 V N -0.814 119.153 119.914 0.087 0.000 2.540 524 V HA 0.680 4.800 4.120 0.000 0.000 0.302 524 V C -0.259 175.868 176.094 0.055 0.000 1.035 524 V CA -0.712 61.647 62.300 0.098 0.000 0.873 524 V CB 1.911 33.858 31.823 0.206 0.000 0.992 524 V HN 0.725 nan 8.190 nan 0.000 0.428 525 S N 2.554 118.278 115.700 0.040 0.000 2.609 525 S HA 0.840 5.310 4.470 0.000 0.000 0.250 525 S C -0.089 174.552 174.600 0.068 0.000 1.112 525 S CA 0.562 58.823 58.200 0.101 0.000 1.102 525 S CB 0.430 63.667 63.200 0.061 0.000 1.124 525 S HN 2.157 nan 8.310 nan 0.000 0.460 526 G N 1.909 110.780 108.800 0.119 0.000 2.398 526 G HA2 0.280 4.240 3.960 0.000 0.000 0.251 526 G HA3 0.280 4.240 3.960 0.000 0.000 0.251 526 G C -1.861 173.002 174.900 -0.063 0.000 1.277 526 G CA -0.046 44.956 45.100 -0.164 0.000 0.927 526 G HN 0.953 nan 8.290 nan 0.000 0.477 527 V N 2.581 122.393 119.914 -0.170 0.000 2.334 527 V HA 0.507 4.628 4.120 0.000 0.000 0.281 527 V C -2.203 173.840 176.094 -0.085 0.000 1.016 527 V CA -1.214 61.027 62.300 -0.098 0.000 0.832 527 V CB 1.395 33.137 31.823 -0.134 0.000 0.999 527 V HN 0.513 nan 8.190 nan 0.000 0.439 528 P HA 0.275 nan 4.420 nan 0.000 0.275 528 P C -0.727 176.509 177.300 -0.106 0.000 1.227 528 P CA -0.077 62.986 63.100 -0.062 0.000 0.781 528 P CB 0.950 32.637 31.700 -0.022 0.000 0.906 529 V N 2.215 122.022 119.914 -0.177 0.000 2.459 529 V HA 0.584 4.704 4.120 0.000 0.000 0.295 529 V C 0.347 176.183 176.094 -0.429 0.000 1.029 529 V CA -1.037 61.070 62.300 -0.321 0.000 0.874 529 V CB 1.492 33.084 31.823 -0.385 0.000 0.985 529 V HN 0.615 nan 8.190 nan 0.000 0.438 530 A N 2.522 124.946 122.820 -0.659 0.000 2.343 530 A HA 0.418 4.738 4.320 0.000 0.000 0.305 530 A C -0.038 177.114 177.584 -0.720 0.000 1.308 530 A CA -0.159 51.434 52.037 -0.741 0.000 0.949 530 A CB -0.276 18.030 19.000 -1.156 0.000 1.148 530 A HN 0.830 nan 8.150 nan 0.000 0.545 531 D N 2.755 122.909 120.400 -0.409 0.000 2.494 531 D HA 0.349 4.989 4.640 0.000 0.000 0.217 531 D C -0.768 175.373 176.300 -0.265 0.000 1.153 531 D CA 0.085 53.949 54.000 -0.226 0.000 0.954 531 D CB 0.149 40.925 40.800 -0.040 0.000 1.034 531 D HN 0.372 nan 8.370 nan 0.000 0.518 532 L N 3.739 124.761 121.223 -0.334 0.000 2.272 532 L HA 0.484 4.824 4.340 0.000 0.000 0.289 532 L C -1.307 175.402 176.870 -0.269 0.000 1.032 532 L CA -0.377 54.310 54.840 -0.254 0.000 0.810 532 L CB 0.497 42.410 42.059 -0.243 0.000 1.205 532 L HN 0.095 nan 8.230 nan 0.000 0.422 533 F N 5.649 125.606 119.950 0.011 0.000 2.319 533 F HA 0.668 5.195 4.527 0.000 0.000 0.356 533 F C 0.572 176.345 175.800 -0.045 0.000 1.100 533 F CA -0.250 57.755 58.000 0.009 0.000 1.220 533 F CB 0.691 39.671 39.000 -0.033 0.000 1.506 533 F HN 0.626 nan 8.300 nan 0.000 0.512 534 A N 1.662 124.467 122.820 -0.025 0.000 2.330 534 A HA 0.966 5.286 4.320 0.000 0.000 0.329 534 A C -0.877 176.681 177.584 -0.043 0.000 1.135 534 A CA -0.625 51.240 52.037 -0.287 0.000 0.817 534 A CB 1.228 19.464 19.000 -1.274 0.000 1.269 534 A HN 0.653 nan 8.150 nan 0.000 0.469 535 A N 0.266 123.111 122.820 0.041 0.000 2.427 535 A HA 0.738 5.058 4.320 0.000 0.000 0.298 535 A C -0.388 177.376 177.584 0.300 0.000 1.036 535 A CA 0.047 52.205 52.037 0.201 0.000 0.701 535 A CB 1.377 20.456 19.000 0.133 0.000 1.250 535 A HN 1.524 nan 8.150 nan 0.000 0.412 536 T N 0.049 114.816 114.554 0.355 0.000 2.863 536 T HA 0.474 4.824 4.350 0.000 0.000 0.285 536 T C 1.336 176.128 174.700 0.154 0.000 1.009 536 T CA 0.313 62.572 62.100 0.265 0.000 0.989 536 T CB 1.326 70.360 68.868 0.276 0.000 1.004 536 T HN 1.520 nan 8.240 nan 0.000 0.455 537 S N 2.957 118.712 115.700 0.092 0.000 2.423 537 S HA 0.197 4.667 4.470 0.000 0.000 0.231 537 S C 1.218 175.858 174.600 0.067 0.000 1.014 537 S CA 0.521 58.762 58.200 0.069 0.000 0.965 537 S CB -0.720 62.508 63.200 0.047 0.000 0.785 537 S HN 0.992 nan 8.310 nan 0.000 0.495 538 G N 0.533 109.374 108.800 0.067 0.000 2.563 538 G HA2 0.413 4.373 3.960 0.000 0.000 0.283 538 G HA3 0.413 4.373 3.960 0.000 0.000 0.283 538 G C 0.598 175.551 174.900 0.088 0.000 1.309 538 G CA 0.132 45.270 45.100 0.063 0.000 1.022 538 G HN 0.388 nan 8.290 nan 0.000 0.501 539 T N -2.434 112.175 114.554 0.092 0.000 3.086 539 T HA 0.267 4.617 4.350 0.000 0.000 0.250 539 T C -0.043 174.763 174.700 0.177 0.000 1.074 539 T CA 0.099 62.271 62.100 0.121 0.000 0.988 539 T CB 0.265 69.202 68.868 0.116 0.000 0.988 539 T HN 0.389 nan 8.240 nan 0.000 0.530 540 D N -0.452 120.030 120.400 0.138 0.000 2.622 540 D HA 0.664 5.304 4.640 0.000 0.000 0.255 540 D C -1.488 174.823 176.300 0.018 0.000 1.246 540 D CA -0.262 53.813 54.000 0.124 0.000 0.795 540 D CB 2.399 43.251 40.800 0.087 0.000 1.369 540 D HN 0.009 nan 8.370 nan 0.000 0.425 541 S N 0.276 115.941 115.700 -0.059 0.000 2.622 541 S HA 0.343 4.813 4.470 0.000 0.000 0.275 541 S C -2.089 172.208 174.600 -0.504 0.000 1.112 541 S CA -0.760 57.234 58.200 -0.343 0.000 0.837 541 S CB 1.400 64.258 63.200 -0.569 0.000 1.082 541 S HN 0.369 nan 8.310 nan 0.000 0.456 542 D N 0.615 120.635 120.400 -0.634 0.000 2.198 542 D HA 0.550 5.190 4.640 0.000 0.000 0.247 542 D C -1.318 174.523 176.300 -0.765 0.000 1.010 542 D CA -0.056 53.644 54.000 -0.500 0.000 0.880 542 D CB 1.007 41.661 40.800 -0.242 0.000 1.209 542 D HN 0.428 nan 8.370 nan 0.000 0.451 543 W N 1.341 122.598 121.300 -0.072 0.000 2.424 543 W HA 0.454 5.114 4.660 0.000 0.000 0.318 543 W C -0.802 175.654 176.519 -0.104 0.000 1.016 543 W CA -0.920 56.373 57.345 -0.086 0.000 1.268 543 W CB 1.286 30.650 29.460 -0.160 0.000 1.297 543 W HN -0.070 nan 8.180 nan 0.000 0.428 544 V N 4.643 124.577 119.914 0.033 0.000 2.370 544 V HA 0.446 4.566 4.120 0.000 0.000 0.279 544 V C -0.211 175.855 176.094 -0.046 0.000 1.029 544 V CA -0.921 61.240 62.300 -0.231 0.000 0.870 544 V CB 1.176 32.566 31.823 -0.722 0.000 0.984 544 V HN 0.296 nan 8.190 nan 0.000 0.451 545 V N 5.946 125.895 119.914 0.059 0.000 2.448 545 V HA 0.502 4.622 4.120 0.000 0.000 0.295 545 V C -0.128 176.025 176.094 0.098 0.000 1.025 545 V CA -0.820 61.539 62.300 0.099 0.000 0.859 545 V CB 1.906 33.814 31.823 0.141 0.000 0.988 545 V HN 0.849 nan 8.190 nan 0.000 0.431 546 K N 4.603 125.055 120.400 0.086 0.000 2.345 546 K HA 0.620 4.940 4.320 0.000 0.000 0.255 546 K C -1.346 175.322 176.600 0.112 0.000 0.934 546 K CA -0.898 55.472 56.287 0.139 0.000 0.801 546 K CB 2.666 35.265 32.500 0.164 0.000 1.137 546 K HN 0.420 nan 8.250 nan 0.000 0.424 547 L N 4.932 126.232 121.223 0.129 0.000 2.276 547 L HA 0.473 4.813 4.340 0.000 0.000 0.286 547 L C -1.243 175.725 176.870 0.165 0.000 1.024 547 L CA -0.254 54.656 54.840 0.116 0.000 0.826 547 L CB 0.451 42.578 42.059 0.112 0.000 1.211 547 L HN 0.554 nan 8.230 nan 0.000 0.422 548 I N 3.790 124.456 120.570 0.161 0.000 2.603 548 I HA 0.380 4.550 4.170 0.000 0.000 0.300 548 I C -0.679 175.612 176.117 0.290 0.000 1.017 548 I CA -0.615 60.803 61.300 0.197 0.000 1.098 548 I CB 1.943 40.029 38.000 0.144 0.000 1.279 548 I HN 0.490 nan 8.210 nan 0.000 0.437 549 D N 5.352 125.960 120.400 0.346 0.000 2.392 549 D HA 0.264 4.904 4.640 0.000 0.000 0.228 549 D C -0.837 175.672 176.300 0.348 0.000 1.074 549 D CA -0.348 53.955 54.000 0.505 0.000 0.838 549 D CB 1.367 42.443 40.800 0.460 0.000 1.067 549 D HN 0.108 nan 8.370 nan 0.000 0.511 550 V N 4.921 125.001 119.914 0.277 0.000 2.470 550 V HA 0.105 4.225 4.120 0.000 0.000 0.276 550 V C 0.909 177.032 176.094 0.047 0.000 1.040 550 V CA -0.647 61.743 62.300 0.149 0.000 1.008 550 V CB 0.787 32.665 31.823 0.092 0.000 0.990 550 V HN 0.493 nan 8.190 nan 0.000 0.477 551 Q N 5.255 125.036 119.800 -0.032 0.000 2.535 551 Q HA 0.269 4.609 4.340 0.000 0.000 0.228 551 Q C -2.227 173.588 176.000 -0.308 0.000 1.062 551 Q CA -1.916 53.689 55.803 -0.330 0.000 0.967 551 Q CB -0.071 28.611 28.738 -0.095 0.000 1.273 551 Q HN 0.449 nan 8.270 nan 0.000 0.554 552 P HA -0.023 nan 4.420 nan 0.000 0.267 552 P C -0.146 177.117 177.300 -0.063 0.000 1.200 552 P CA 0.361 63.377 63.100 -0.141 0.000 0.772 552 P CB 0.431 32.087 31.700 -0.074 0.000 0.855 553 A N 2.946 125.751 122.820 -0.024 0.000 2.076 553 A HA -0.088 4.232 4.320 0.000 0.000 0.220 553 A C 0.825 178.405 177.584 -0.007 0.000 1.160 553 A CA 1.689 53.720 52.037 -0.010 0.000 0.653 553 A CB -0.601 18.398 19.000 -0.002 0.000 0.801 553 A HN 0.462 nan 8.150 nan 0.000 0.455 554 M N -0.312 119.283 119.600 -0.008 0.000 2.324 554 M HA 0.281 4.761 4.480 0.000 0.000 0.288 554 M C -1.071 175.226 176.300 -0.005 0.000 1.097 554 M CA -0.074 55.224 55.300 -0.004 0.000 0.928 554 M CB 1.919 34.520 32.600 0.001 0.000 1.648 554 M HN 0.211 nan 8.290 nan 0.000 0.460 555 T N -0.618 113.932 114.554 -0.007 0.000 3.317 555 T HA 0.412 4.762 4.350 0.000 0.000 0.361 555 T C -2.093 172.603 174.700 -0.008 0.000 1.499 555 T CA -1.325 60.770 62.100 -0.008 0.000 1.529 555 T CB 0.630 69.487 68.868 -0.019 0.000 0.997 555 T HN 0.348 nan 8.240 nan 0.000 0.624 556 P HA -0.107 nan 4.420 nan 0.000 0.217 556 P C 0.689 177.984 177.300 -0.008 0.000 1.148 556 P CA 1.156 64.254 63.100 -0.004 0.000 0.828 556 P CB 0.238 31.938 31.700 -0.000 0.000 0.783 557 D N -0.816 119.579 120.400 -0.008 0.000 2.269 557 D HA -0.063 4.577 4.640 0.000 0.000 0.208 557 D C 0.415 176.702 176.300 -0.022 0.000 0.963 557 D CA 1.318 55.311 54.000 -0.012 0.000 0.864 557 D CB -0.283 40.512 40.800 -0.009 0.000 0.936 557 D HN 0.195 nan 8.370 nan 0.000 0.505 558 D N -1.757 118.627 120.400 -0.026 0.000 2.668 558 D HA 0.141 4.781 4.640 0.000 0.000 0.247 558 D C -2.120 174.160 176.300 -0.032 0.000 1.268 558 D CA -1.627 52.351 54.000 -0.038 0.000 0.842 558 D CB 1.142 41.908 40.800 -0.058 0.000 1.399 558 D HN -0.234 nan 8.370 nan 0.000 0.530 559 P HA -0.213 nan 4.420 nan 0.000 0.217 559 P C 1.253 178.549 177.300 -0.006 0.000 1.148 559 P CA 1.393 64.485 63.100 -0.012 0.000 0.834 559 P CB 0.112 31.805 31.700 -0.010 0.000 0.783 560 K N -1.456 118.937 120.400 -0.012 0.000 2.442 560 K HA -0.034 4.286 4.320 0.000 0.000 0.198 560 K C 1.280 177.901 176.600 0.034 0.000 1.042 560 K CA 1.095 57.387 56.287 0.008 0.000 0.958 560 K CB -0.450 32.047 32.500 -0.005 0.000 0.766 560 K HN 0.047 nan 8.250 nan 0.000 0.474 561 M N 1.590 121.183 119.600 -0.012 0.000 2.561 561 M HA 0.144 4.624 4.480 0.000 0.000 0.238 561 M C 0.545 176.875 176.300 0.049 0.000 1.131 561 M CA -0.174 55.114 55.300 -0.020 0.000 1.046 561 M CB -0.112 32.416 32.600 -0.120 0.000 1.532 561 M HN 0.197 nan 8.290 nan 0.000 0.497 562 G N 0.158 108.979 108.800 0.036 0.000 2.307 562 G HA2 0.345 4.305 3.960 0.000 0.000 0.271 562 G HA3 0.345 4.305 3.960 0.000 0.000 0.271 562 G C 1.109 176.033 174.900 0.040 0.000 1.191 562 G CA 0.387 45.501 45.100 0.023 0.000 1.024 562 G HN 0.701 nan 8.290 nan 0.000 0.441 563 G N 1.776 110.591 108.800 0.025 0.000 2.168 563 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 563 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 563 G C 0.477 175.409 174.900 0.053 0.000 0.977 563 G CA 0.587 45.700 45.100 0.022 0.000 0.659 563 G HN 1.059 nan 8.290 nan 0.000 0.533 564 Y N 1.368 121.644 120.300 -0.039 0.000 2.811 564 Y HA 0.331 4.881 4.550 0.000 0.000 0.334 564 Y C 0.803 176.700 175.900 -0.004 0.000 1.247 564 Y CA 0.895 58.979 58.100 -0.026 0.000 1.526 564 Y CB 0.498 38.937 38.460 -0.035 0.000 1.284 564 Y HN 0.307 nan 8.280 nan 0.000 0.586 565 E N 6.289 126.368 120.200 -0.203 0.000 2.103 565 E HA 0.192 4.542 4.350 0.000 0.000 0.254 565 E C -1.454 175.156 176.600 0.017 0.000 0.940 565 E CA -0.624 55.750 56.400 -0.042 0.000 0.771 565 E CB 0.524 30.178 29.700 -0.076 0.000 1.153 565 E HN 0.417 nan 8.360 nan 0.000 0.428 566 L N 4.911 126.304 121.223 0.283 0.000 2.260 566 L HA 0.389 4.729 4.340 0.000 0.000 0.289 566 L C -2.594 174.413 176.870 0.229 0.000 1.057 566 L CA -2.038 52.998 54.840 0.327 0.000 0.811 566 L CB 0.554 42.819 42.059 0.343 0.000 1.184 566 L HN 0.152 nan 8.230 nan 0.000 0.429 567 P HA 0.100 nan 4.420 nan 0.000 0.286 567 P C 0.701 178.191 177.300 0.318 0.000 1.321 567 P CA -0.339 62.896 63.100 0.226 0.000 0.790 567 P CB 1.021 32.846 31.700 0.209 0.000 0.897 568 V N 1.120 121.155 119.914 0.200 0.000 2.951 568 V HA 0.126 4.246 4.120 0.000 0.000 0.255 568 V C 0.631 176.709 176.094 -0.027 0.000 1.088 568 V CA 0.964 63.308 62.300 0.073 0.000 1.109 568 V CB -0.460 31.222 31.823 -0.234 0.000 0.724 568 V HN 0.567 nan 8.190 nan 0.000 0.471 569 S N 1.029 116.776 115.700 0.079 0.000 2.582 569 S HA 0.692 5.162 4.470 0.000 0.000 0.287 569 S C -1.031 173.670 174.600 0.168 0.000 1.146 569 S CA -0.524 57.721 58.200 0.076 0.000 0.941 569 S CB 1.277 64.498 63.200 0.034 0.000 1.115 569 S HN 0.870 nan 8.310 nan 0.000 0.458 570 M N 2.425 122.169 119.600 0.240 0.000 2.534 570 M HA 0.801 5.281 4.480 0.000 0.000 0.280 570 M C -2.034 174.566 176.300 0.500 0.000 1.217 570 M CA -0.609 54.903 55.300 0.354 0.000 0.893 570 M CB 1.984 34.846 32.600 0.437 0.000 1.730 570 M HN 0.547 nan 8.290 nan 0.000 0.483 571 D N 0.588 121.291 120.400 0.506 0.000 2.692 571 D HA 0.715 5.356 4.640 0.000 0.000 0.303 571 D C -1.972 174.526 176.300 0.330 0.000 1.278 571 D CA -0.351 54.005 54.000 0.593 0.000 0.852 571 D CB 2.860 44.012 40.800 0.587 0.000 1.375 571 D HN 0.882 nan 8.370 nan 0.000 0.453 572 I N 0.572 121.313 120.570 0.286 0.000 2.689 572 I HA 0.670 4.841 4.170 0.000 0.000 0.299 572 I C -1.716 174.394 176.117 -0.012 0.000 1.059 572 I CA -0.879 60.407 61.300 -0.024 0.000 1.055 572 I CB 1.713 39.547 38.000 -0.277 0.000 1.243 572 I HN 0.310 nan 8.210 nan 0.000 0.425 573 F N 6.453 126.210 119.950 -0.322 0.000 2.547 573 F HA 0.549 5.076 4.527 0.000 0.000 0.316 573 F C -0.496 175.239 175.800 -0.109 0.000 1.121 573 F CA -0.760 57.010 58.000 -0.384 0.000 0.911 573 F CB 1.343 39.713 39.000 -1.051 0.000 1.179 573 F HN 0.440 nan 8.300 nan 0.000 0.443 574 R N 3.800 124.051 120.500 -0.414 0.000 2.242 574 R HA 0.305 4.645 4.340 0.000 0.000 0.334 574 R C 1.328 177.703 176.300 0.126 0.000 1.071 574 R CA 0.679 56.731 56.100 -0.081 0.000 0.922 574 R CB 0.781 31.129 30.300 0.080 0.000 1.023 574 R HN 0.985 nan 8.270 nan 0.000 0.458 575 G N 4.895 113.873 108.800 0.297 0.000 2.513 575 G HA2 -0.388 3.572 3.960 0.000 0.000 0.219 575 G HA3 -0.388 3.572 3.960 0.000 0.000 0.219 575 G C 1.197 176.394 174.900 0.495 0.000 1.160 575 G CA 1.062 46.521 45.100 0.599 0.000 0.767 575 G HN 0.781 nan 8.290 nan 0.000 0.571 576 R N -0.484 120.138 120.500 0.203 0.000 2.303 576 R HA -0.074 4.266 4.340 0.000 0.000 0.225 576 R C 1.092 177.346 176.300 -0.077 0.000 1.114 576 R CA 1.254 57.387 56.100 0.054 0.000 1.007 576 R CB -0.560 29.686 30.300 -0.091 0.000 0.861 576 R HN 0.498 nan 8.270 nan 0.000 0.471 577 Y N 0.253 120.721 120.300 0.280 0.000 2.524 577 Y HA 0.283 4.833 4.550 0.000 0.000 0.266 577 Y C 2.225 178.296 175.900 0.286 0.000 1.180 577 Y CA -0.582 57.675 58.100 0.262 0.000 1.244 577 Y CB 0.106 38.776 38.460 0.349 0.000 1.125 577 Y HN -0.017 nan 8.280 nan 0.000 0.524 578 R N 1.096 121.898 120.500 0.503 0.000 2.094 578 R HA -0.236 4.104 4.340 0.000 0.000 0.239 578 R C 1.718 178.046 176.300 0.045 0.000 1.137 578 R CA 2.093 58.390 56.100 0.329 0.000 0.943 578 R CB 0.075 30.417 30.300 0.070 0.000 0.850 578 R HN 0.266 nan 8.270 nan 0.000 0.433 579 K N -0.986 119.423 120.400 0.016 0.000 2.044 579 K HA -0.042 4.278 4.320 0.000 0.000 0.204 579 K C 0.027 176.587 176.600 -0.066 0.000 1.049 579 K CA 1.009 57.270 56.287 -0.043 0.000 0.945 579 K CB 0.225 32.710 32.500 -0.026 0.000 0.724 579 K HN 0.074 nan 8.250 nan 0.000 0.440 580 D N -1.592 118.798 120.400 -0.016 0.000 2.970 580 D HA 0.099 4.739 4.640 0.000 0.000 0.230 580 D C -0.116 176.283 176.300 0.166 0.000 1.276 580 D CA -0.486 53.514 54.000 0.001 0.000 0.910 580 D CB 0.932 41.769 40.800 0.062 0.000 1.590 580 D HN -0.194 nan 8.370 nan 0.000 0.551 581 F N 1.906 122.022 119.950 0.277 0.000 2.293 581 F HA 0.054 4.581 4.527 0.000 0.000 0.300 581 F C 2.332 178.221 175.800 0.148 0.000 1.086 581 F CA 0.974 59.105 58.000 0.218 0.000 1.375 581 F CB -0.420 38.523 39.000 -0.094 0.000 1.045 581 F HN 0.495 nan 8.300 nan 0.000 0.516 582 A N -1.126 121.876 122.820 0.305 0.000 2.081 582 A HA 0.070 4.390 4.320 0.000 0.000 0.214 582 A C 0.902 178.606 177.584 0.200 0.000 1.158 582 A CA 0.466 52.615 52.037 0.186 0.000 0.724 582 A CB -0.009 19.062 19.000 0.119 0.000 0.826 582 A HN -0.027 nan 8.150 nan 0.000 0.463 583 K N 1.499 122.024 120.400 0.209 0.000 2.579 583 K HA 0.321 4.641 4.320 0.000 0.000 0.225 583 K C -3.201 173.484 176.600 0.140 0.000 0.992 583 K CA -1.989 54.390 56.287 0.154 0.000 1.018 583 K CB 1.516 34.072 32.500 0.095 0.000 1.249 583 K HN 0.150 nan 8.250 nan 0.000 0.489 584 P HA 0.080 nan 4.420 nan 0.000 0.266 584 P C -0.573 176.804 177.300 0.129 0.000 1.195 584 P CA 0.176 63.279 63.100 0.006 0.000 0.768 584 P CB 1.027 32.680 31.700 -0.079 0.000 0.838 585 E N 0.637 120.889 120.200 0.088 0.000 2.292 585 E HA 0.539 4.889 4.350 0.000 0.000 0.272 585 E C -0.841 175.639 176.600 -0.199 0.000 0.881 585 E CA -1.064 55.266 56.400 -0.117 0.000 0.754 585 E CB 2.056 31.715 29.700 -0.069 0.000 1.201 585 E HN 0.483 nan 8.360 nan 0.000 0.425 586 A N 3.867 126.266 122.820 -0.701 0.000 2.462 586 A HA 0.325 4.645 4.320 0.000 0.000 0.243 586 A C -0.225 177.298 177.584 -0.102 0.000 1.076 586 A CA -0.089 51.677 52.037 -0.451 0.000 0.773 586 A CB 0.116 18.727 19.000 -0.647 0.000 1.010 586 A HN 0.570 nan 8.150 nan 0.000 0.493 587 L N 1.451 122.708 121.223 0.058 0.000 2.375 587 L HA 0.314 4.654 4.340 0.000 0.000 0.271 587 L C 0.130 177.039 176.870 0.065 0.000 1.107 587 L CA -0.647 54.255 54.840 0.103 0.000 0.806 587 L CB 0.711 42.904 42.059 0.224 0.000 1.146 587 L HN 0.679 nan 8.230 nan 0.000 0.447 588 Q N 3.036 122.870 119.800 0.056 0.000 2.295 588 Q HA 0.241 4.581 4.340 0.000 0.000 0.259 588 Q C -2.280 173.761 176.000 0.068 0.000 0.976 588 Q CA -1.428 54.399 55.803 0.040 0.000 0.923 588 Q CB 0.538 29.289 28.738 0.022 0.000 1.185 588 Q HN 0.236 nan 8.270 nan 0.000 0.410 589 P HA -0.155 nan 4.420 nan 0.000 0.262 589 P C -0.588 176.750 177.300 0.063 0.000 1.182 589 P CA 0.551 63.691 63.100 0.066 0.000 0.761 589 P CB 0.439 32.168 31.700 0.048 0.000 0.795 590 D N -0.565 119.882 120.400 0.079 0.000 3.076 590 D HA -0.193 4.447 4.640 0.000 0.000 0.218 590 D C -0.057 176.281 176.300 0.064 0.000 1.156 590 D CA 1.197 55.238 54.000 0.069 0.000 0.921 590 D CB -1.059 39.770 40.800 0.048 0.000 1.113 590 D HN 0.512 nan 8.370 nan 0.000 0.418 591 A N 0.526 123.392 122.820 0.077 0.000 2.292 591 A HA 0.504 4.824 4.320 0.000 0.000 0.319 591 A C 0.530 178.162 177.584 0.079 0.000 1.206 591 A CA -0.175 51.897 52.037 0.058 0.000 0.835 591 A CB 0.973 20.000 19.000 0.045 0.000 1.164 591 A HN -0.005 nan 8.150 nan 0.000 0.505 592 T N 4.135 118.715 114.554 0.044 0.000 2.775 592 T HA 0.315 4.665 4.350 0.000 0.000 0.281 592 T C 0.011 174.756 174.700 0.075 0.000 0.908 592 T CA 0.688 62.822 62.100 0.056 0.000 1.123 592 T CB -0.852 67.994 68.868 -0.036 0.000 0.879 592 T HN 0.401 nan 8.240 nan 0.000 0.547 593 L N 3.136 124.419 121.223 0.099 0.000 2.325 593 L HA 0.398 4.738 4.340 0.000 0.000 0.278 593 L C 0.645 177.449 176.870 -0.110 0.000 1.023 593 L CA -0.967 53.851 54.840 -0.037 0.000 0.811 593 L CB 1.454 43.422 42.059 -0.153 0.000 1.249 593 L HN 0.639 nan 8.230 nan 0.000 0.431 594 H N 2.687 121.560 119.070 -0.328 0.000 2.782 594 H HA 0.279 4.835 4.556 0.000 0.000 0.285 594 H C -1.436 173.527 175.328 -0.609 0.000 1.093 594 H CA -0.536 55.223 56.048 -0.482 0.000 1.410 594 H CB 0.454 30.025 29.762 -0.319 0.000 1.439 594 H HN 0.391 nan 8.280 nan 0.000 0.469 595 Y N 3.436 123.520 120.300 -0.360 0.000 2.341 595 Y HA 0.189 4.739 4.550 0.000 0.000 0.337 595 Y C -0.215 175.391 175.900 -0.490 0.000 1.014 595 Y CA -0.769 57.081 58.100 -0.416 0.000 1.111 595 Y CB 1.348 39.612 38.460 -0.325 0.000 1.194 595 Y HN 0.690 nan 8.280 nan 0.000 0.462 596 H N 4.698 123.499 119.070 -0.449 0.000 3.177 596 H HA 0.492 5.048 4.556 0.000 0.000 0.314 596 H C -1.779 173.415 175.328 -0.223 0.000 1.059 596 H CA -0.984 54.793 56.048 -0.450 0.000 1.515 596 H CB 0.344 29.792 29.762 -0.523 0.000 1.672 596 H HN 0.501 nan 8.280 nan 0.000 0.514 597 F N 1.090 120.775 119.950 -0.442 0.000 2.613 597 F HA 0.543 5.070 4.527 0.000 0.000 0.310 597 F C -0.554 175.164 175.800 -0.137 0.000 1.085 597 F CA -1.173 56.670 58.000 -0.263 0.000 0.945 597 F CB 0.960 39.657 39.000 -0.505 0.000 1.298 597 F HN 0.335 nan 8.300 nan 0.000 0.455 598 T N 0.993 115.724 114.554 0.295 0.000 2.897 598 T HA 0.648 4.998 4.350 0.000 0.000 0.294 598 T C -0.376 174.556 174.700 0.387 0.000 1.004 598 T CA -0.508 61.724 62.100 0.221 0.000 1.106 598 T CB 0.885 69.886 68.868 0.221 0.000 0.949 598 T HN 0.691 nan 8.240 nan 0.000 0.520 599 L N 3.030 124.369 121.223 0.194 0.000 2.365 599 L HA 0.523 4.863 4.340 0.000 0.000 0.267 599 L C -2.132 174.833 176.870 0.157 0.000 1.033 599 L CA -3.019 51.964 54.840 0.238 0.000 0.802 599 L CB 0.891 43.032 42.059 0.136 0.000 1.267 599 L HN 0.433 nan 8.230 nan 0.000 0.457 600 P HA -0.019 nan 4.420 nan 0.000 0.265 600 P C -0.838 176.462 177.300 -0.000 0.000 1.187 600 P CA -0.078 63.059 63.100 0.063 0.000 0.766 600 P CB 0.403 32.131 31.700 0.047 0.000 0.820 601 A N 2.961 125.765 122.820 -0.027 0.000 2.483 601 A HA 0.419 4.739 4.320 0.000 0.000 0.238 601 A C 0.286 177.833 177.584 -0.062 0.000 1.070 601 A CA 0.017 52.055 52.037 0.002 0.000 0.770 601 A CB -0.270 18.784 19.000 0.090 0.000 1.008 601 A HN 0.480 nan 8.150 nan 0.000 0.497 602 V N -0.314 119.595 119.914 -0.009 0.000 3.001 602 V HA 0.857 4.977 4.120 0.000 0.000 0.314 602 V C -0.442 175.645 176.094 -0.010 0.000 1.099 602 V CA -0.749 61.508 62.300 -0.071 0.000 0.989 602 V CB 2.183 33.985 31.823 -0.034 0.000 1.040 602 V HN 0.866 nan 8.190 nan 0.000 0.434 603 N N 0.642 119.287 118.700 -0.092 0.000 2.639 603 N HA 0.313 5.053 4.740 0.000 0.000 0.265 603 N C -0.947 174.491 175.510 -0.119 0.000 1.689 603 N CA -0.229 52.782 53.050 -0.066 0.000 0.813 603 N CB 0.063 38.468 38.487 -0.137 0.000 1.353 603 N HN 1.092 nan 8.380 nan 0.000 0.510 604 H N -1.190 117.745 119.070 -0.225 0.000 2.649 604 H HA 0.805 5.361 4.556 0.000 0.000 0.337 604 H C -0.964 174.173 175.328 -0.318 0.000 1.282 604 H CA -0.639 55.219 56.048 -0.317 0.000 1.333 604 H CB 1.473 30.978 29.762 -0.429 0.000 1.787 604 H HN -0.124 nan 8.280 nan 0.000 0.632 605 V N 2.369 121.673 119.914 -1.018 0.000 2.655 605 V HA 0.187 4.307 4.120 0.000 0.000 0.301 605 V C -1.246 174.427 176.094 -0.702 0.000 1.082 605 V CA -0.624 61.307 62.300 -0.615 0.000 0.899 605 V CB 1.290 32.872 31.823 -0.402 0.000 1.014 605 V HN 0.587 nan 8.190 nan 0.000 0.429 606 F N 4.044 123.943 119.950 -0.085 0.000 2.368 606 F HA 0.697 5.224 4.527 0.000 0.000 0.362 606 F C 0.909 176.625 175.800 -0.139 0.000 1.137 606 F CA -0.172 57.808 58.000 -0.033 0.000 1.161 606 F CB 0.984 40.057 39.000 0.122 0.000 1.265 606 F HN 0.578 nan 8.300 nan 0.000 0.530 607 A N 3.856 126.524 122.820 -0.253 0.000 2.257 607 A HA 0.445 4.765 4.320 0.000 0.000 0.289 607 A C 0.245 177.812 177.584 -0.028 0.000 1.095 607 A CA -0.904 51.020 52.037 -0.188 0.000 0.836 607 A CB 0.469 19.302 19.000 -0.277 0.000 1.111 607 A HN 0.677 nan 8.150 nan 0.000 0.497 608 K N -0.299 120.125 120.400 0.039 0.000 2.550 608 K HA 0.261 4.581 4.320 0.000 0.000 0.280 608 K C 1.158 177.876 176.600 0.197 0.000 0.987 608 K CA 1.367 57.715 56.287 0.103 0.000 1.048 608 K CB 0.020 32.562 32.500 0.069 0.000 0.879 608 K HN 1.365 nan 8.250 nan 0.000 0.491 609 G N 1.830 110.750 108.800 0.199 0.000 2.279 609 G HA2 -0.223 3.737 3.960 0.000 0.000 0.223 609 G HA3 -0.223 3.737 3.960 0.000 0.000 0.223 609 G C 0.094 175.132 174.900 0.229 0.000 1.015 609 G CA -0.324 44.897 45.100 0.202 0.000 0.621 609 G HN 0.764 nan 8.290 nan 0.000 0.506 610 H N 0.575 119.713 119.070 0.114 0.000 2.505 610 H HA 0.704 5.260 4.556 0.000 0.000 0.358 610 H C 0.421 175.827 175.328 0.129 0.000 1.304 610 H CA -0.215 55.924 56.048 0.152 0.000 1.393 610 H CB 0.816 30.722 29.762 0.240 0.000 1.591 610 H HN 0.331 nan 8.280 nan 0.000 0.595 611 R N 0.435 121.085 120.500 0.251 0.000 2.725 611 R HA 0.421 4.761 4.340 0.000 0.000 0.277 611 R C -0.888 175.446 176.300 0.056 0.000 0.987 611 R CA -0.767 55.400 56.100 0.111 0.000 0.901 611 R CB 1.855 32.190 30.300 0.058 0.000 1.207 611 R HN 0.398 nan 8.270 nan 0.000 0.463 612 I N 2.397 122.879 120.570 -0.146 0.000 2.472 612 I HA 0.350 4.520 4.170 0.000 0.000 0.290 612 I C 0.001 176.036 176.117 -0.137 0.000 1.016 612 I CA -0.315 60.781 61.300 -0.340 0.000 1.348 612 I CB 1.273 38.871 38.000 -0.671 0.000 1.417 612 I HN 0.441 nan 8.210 nan 0.000 0.521 613 M N 6.292 125.860 119.600 -0.053 0.000 2.457 613 M HA 0.600 5.080 4.480 0.000 0.000 0.300 613 M C -1.938 174.378 176.300 0.028 0.000 1.141 613 M CA -0.610 54.697 55.300 0.012 0.000 0.901 613 M CB 2.242 34.875 32.600 0.055 0.000 1.687 613 M HN 0.290 nan 8.290 nan 0.000 0.449 614 V N 3.965 123.916 119.914 0.062 0.000 2.483 614 V HA 0.447 4.567 4.120 0.000 0.000 0.297 614 V C -0.946 175.235 176.094 0.146 0.000 1.027 614 V CA -0.510 61.831 62.300 0.068 0.000 0.855 614 V CB 1.864 33.679 31.823 -0.012 0.000 0.995 614 V HN 0.866 nan 8.190 nan 0.000 0.424 615 Q N 3.891 123.754 119.800 0.104 0.000 2.333 615 Q HA 0.737 5.077 4.340 0.000 0.000 0.267 615 Q C -1.435 174.597 176.000 0.053 0.000 1.012 615 Q CA -0.511 55.344 55.803 0.086 0.000 0.824 615 Q CB 2.473 31.249 28.738 0.063 0.000 1.290 615 Q HN 0.706 nan 8.270 nan 0.000 0.449 616 I N 3.335 123.922 120.570 0.028 0.000 2.466 616 I HA 0.338 4.508 4.170 0.000 0.000 0.289 616 I C -0.532 175.479 176.117 -0.177 0.000 1.026 616 I CA -0.522 60.786 61.300 0.013 0.000 1.078 616 I CB 1.768 39.858 38.000 0.150 0.000 1.249 616 I HN 0.585 nan 8.210 nan 0.000 0.429 617 Q N 2.974 122.707 119.800 -0.112 0.000 2.615 617 Q HA 0.591 4.931 4.340 0.000 0.000 0.298 617 Q C -0.942 175.084 176.000 0.042 0.000 1.023 617 Q CA -0.970 54.740 55.803 -0.155 0.000 0.768 617 Q CB 2.004 30.643 28.738 -0.165 0.000 1.500 617 Q HN 0.405 nan 8.270 nan 0.000 0.441 618 S N 0.060 115.812 115.700 0.086 0.000 2.650 618 S HA 0.243 4.713 4.470 0.000 0.000 0.240 618 S C -0.436 174.120 174.600 -0.074 0.000 1.007 618 S CA 0.235 58.400 58.200 -0.058 0.000 0.984 618 S CB 0.361 63.494 63.200 -0.111 0.000 0.910 618 S HN 0.623 nan 8.310 nan 0.000 0.509 619 S N -0.360 115.329 115.700 -0.019 0.000 2.596 619 S HA 0.740 5.210 4.470 0.000 0.000 0.270 619 S C -2.042 172.690 174.600 0.219 0.000 1.155 619 S CA -0.669 57.581 58.200 0.084 0.000 0.827 619 S CB 1.410 64.668 63.200 0.097 0.000 1.130 619 S HN 0.244 nan 8.310 nan 0.000 0.467 620 W N 1.589 122.997 121.300 0.180 0.000 1.169 620 W HA 0.453 5.113 4.660 0.000 0.000 0.318 620 W C -1.712 174.942 176.519 0.225 0.000 0.906 620 W CA -1.811 55.668 57.345 0.223 0.000 1.379 620 W CB 0.464 30.060 29.460 0.226 0.000 1.491 620 W HN 0.648 nan 8.180 nan 0.000 0.459 621 F N 4.042 124.133 119.950 0.235 0.000 2.389 621 F HA 0.451 4.978 4.527 0.000 0.000 0.337 621 F C -1.063 174.840 175.800 0.170 0.000 1.112 621 F CA -2.160 55.865 58.000 0.042 0.000 1.192 621 F CB 1.049 39.977 39.000 -0.121 0.000 1.185 621 F HN -0.092 nan 8.300 nan 0.000 0.552 622 P HA 0.036 nan 4.420 nan 0.000 0.263 622 P C 1.200 177.865 177.300 -1.059 0.000 1.448 622 P CA 0.212 62.478 63.100 -1.390 0.000 0.983 622 P CB 0.254 31.191 31.700 -1.272 0.000 1.481 623 L N -0.172 120.450 121.223 -1.003 0.000 2.017 623 L HA 0.031 4.371 4.340 0.000 0.000 0.208 623 L C 0.218 176.509 176.870 -0.966 0.000 1.073 623 L CA 1.740 55.882 54.840 -1.163 0.000 0.745 623 L CB -1.100 39.747 42.059 -2.021 0.000 0.894 623 L HN -0.134 nan 8.230 nan 0.000 0.432 624 Y N 1.108 121.159 120.300 -0.415 0.000 2.331 624 Y HA 0.299 4.849 4.550 0.000 0.000 0.338 624 Y C -0.120 175.796 175.900 0.026 0.000 0.976 624 Y CA -1.980 56.011 58.100 -0.181 0.000 1.137 624 Y CB 0.424 38.891 38.460 0.011 0.000 1.172 624 Y HN 0.226 nan 8.280 nan 0.000 0.478 625 D N 2.754 123.273 120.400 0.198 0.000 2.488 625 D HA -0.026 4.614 4.640 0.000 0.000 0.238 625 D C -0.320 176.189 176.300 0.348 0.000 1.138 625 D CA -0.256 53.962 54.000 0.365 0.000 0.873 625 D CB 0.689 41.754 40.800 0.442 0.000 1.183 625 D HN 0.481 nan 8.370 nan 0.000 0.458 626 R N 1.657 122.346 120.500 0.315 0.000 2.537 626 R HA 0.089 4.429 4.340 0.000 0.000 0.280 626 R C 0.703 177.149 176.300 0.243 0.000 1.058 626 R CA -0.433 55.762 56.100 0.158 0.000 1.057 626 R CB 0.154 30.393 30.300 -0.102 0.000 0.973 626 R HN 0.451 nan 8.270 nan 0.000 0.438 627 N N 3.485 122.268 118.700 0.138 0.000 2.458 627 N HA 0.064 4.804 4.740 0.000 0.000 0.270 627 N C -1.896 173.685 175.510 0.119 0.000 1.102 627 N CA -1.945 51.154 53.050 0.081 0.000 0.967 627 N CB 1.327 39.800 38.487 -0.023 0.000 1.078 627 N HN 0.263 nan 8.380 nan 0.000 0.471 628 P HA -0.048 nan 4.420 nan 0.000 0.231 628 P C -0.066 177.223 177.300 -0.019 0.000 1.158 628 P CA 0.772 63.808 63.100 -0.106 0.000 0.763 628 P CB 0.205 31.604 31.700 -0.502 0.000 0.805 629 Q N -2.996 116.793 119.800 -0.018 0.000 2.348 629 Q HA -0.234 4.106 4.340 0.000 0.000 0.221 629 Q C 0.225 176.231 176.000 0.010 0.000 0.735 629 Q CA 1.192 56.988 55.803 -0.011 0.000 1.351 629 Q CB -1.167 27.570 28.738 -0.001 0.000 1.640 629 Q HN 0.257 nan 8.270 nan 0.000 0.667 630 K N 0.306 120.698 120.400 -0.013 0.000 2.507 630 K HA 0.290 4.610 4.320 0.000 0.000 0.252 630 K C -1.162 175.452 176.600 0.024 0.000 0.943 630 K CA -0.750 55.549 56.287 0.020 0.000 0.808 630 K CB 0.706 33.199 32.500 -0.011 0.000 1.142 630 K HN 0.024 nan 8.250 nan 0.000 0.426 631 F N 5.252 125.177 119.950 -0.041 0.000 2.590 631 F HA 0.052 4.579 4.527 0.000 0.000 0.389 631 F C -0.357 175.411 175.800 -0.053 0.000 1.049 631 F CA 0.381 58.353 58.000 -0.047 0.000 1.199 631 F CB 0.420 39.401 39.000 -0.031 0.000 1.058 631 F HN 0.184 nan 8.300 nan 0.000 0.556 632 V N 5.122 124.685 119.914 -0.584 0.000 2.823 632 V HA 0.397 4.517 4.120 0.000 0.000 0.312 632 V C -2.084 173.665 176.094 -0.575 0.000 1.072 632 V CA -1.940 60.131 62.300 -0.381 0.000 0.937 632 V CB 1.501 33.169 31.823 -0.259 0.000 1.013 632 V HN 0.508 nan 8.190 nan 0.000 0.430 633 P HA -0.134 nan 4.420 nan 0.000 0.217 633 P C 0.298 177.490 177.300 -0.179 0.000 1.151 633 P CA 1.666 64.675 63.100 -0.152 0.000 0.849 633 P CB 0.129 31.816 31.700 -0.022 0.000 0.787 634 N N -1.417 117.188 118.700 -0.159 0.000 2.594 634 N HA 0.134 4.874 4.740 0.000 0.000 0.280 634 N C 0.571 176.010 175.510 -0.119 0.000 1.156 634 N CA -0.342 52.638 53.050 -0.116 0.000 0.831 634 N CB 0.418 38.887 38.487 -0.029 0.000 1.379 634 N HN -0.205 nan 8.380 nan 0.000 0.536 635 I N 2.087 122.545 120.570 -0.187 0.000 2.502 635 I HA -0.275 3.895 4.170 0.000 0.000 0.258 635 I C 1.515 177.631 176.117 -0.002 0.000 1.172 635 I CA 1.239 62.453 61.300 -0.143 0.000 1.430 635 I CB -0.212 37.695 38.000 -0.155 0.000 1.086 635 I HN 0.473 nan 8.210 nan 0.000 0.440 636 F N 1.040 120.990 119.950 -0.000 0.000 2.171 636 F HA -0.239 4.288 4.527 0.000 0.000 0.300 636 F C 1.632 177.476 175.800 0.073 0.000 1.090 636 F CA 0.865 58.880 58.000 0.025 0.000 1.293 636 F CB -0.033 38.843 39.000 -0.206 0.000 1.013 636 F HN 0.135 nan 8.300 nan 0.000 0.486 637 D N 0.587 121.111 120.400 0.206 0.000 2.395 637 D HA 0.173 4.814 4.640 0.000 0.000 0.226 637 D C 0.431 176.798 176.300 0.112 0.000 1.146 637 D CA 0.129 54.237 54.000 0.179 0.000 0.830 637 D CB -0.225 40.668 40.800 0.155 0.000 0.958 637 D HN 0.017 nan 8.370 nan 0.000 0.501 638 A N 0.967 123.839 122.820 0.087 0.000 2.540 638 A HA 0.085 4.405 4.320 0.000 0.000 0.239 638 A C 0.621 178.244 177.584 0.065 0.000 1.061 638 A CA 0.287 52.298 52.037 -0.044 0.000 0.758 638 A CB 0.425 19.266 19.000 -0.264 0.000 0.991 638 A HN 0.008 nan 8.150 nan 0.000 0.502 639 K N 2.997 123.400 120.400 0.004 0.000 2.095 639 K HA 0.364 4.684 4.320 0.000 0.000 0.252 639 K C -1.866 174.830 176.600 0.159 0.000 0.977 639 K CA -1.858 54.483 56.287 0.091 0.000 0.900 639 K CB 0.874 33.405 32.500 0.052 0.000 1.060 639 K HN 0.303 nan 8.250 nan 0.000 0.449 640 P HA -0.300 nan 4.420 nan 0.000 0.217 640 P C 0.758 178.187 177.300 0.214 0.000 1.158 640 P CA 1.649 64.893 63.100 0.240 0.000 0.887 640 P CB 0.109 31.889 31.700 0.133 0.000 0.792 641 A N -0.713 122.177 122.820 0.117 0.000 2.014 641 A HA -0.174 4.146 4.320 0.000 0.000 0.218 641 A C 1.900 179.514 177.584 0.049 0.000 1.163 641 A CA 1.678 53.762 52.037 0.079 0.000 0.652 641 A CB -1.155 17.876 19.000 0.051 0.000 0.808 641 A HN 0.099 nan 8.150 nan 0.000 0.449 642 D N -0.792 119.599 120.400 -0.015 0.000 2.149 642 D HA -0.101 4.539 4.640 0.000 0.000 0.198 642 D C -0.107 176.105 176.300 -0.147 0.000 0.990 642 D CA 0.803 54.725 54.000 -0.129 0.000 0.839 642 D CB -0.460 40.176 40.800 -0.273 0.000 0.948 642 D HN 0.526 nan 8.370 nan 0.000 0.460 643 Y N 1.161 121.469 120.300 0.013 0.000 2.677 643 Y HA 0.102 4.652 4.550 0.000 0.000 0.335 643 Y C 0.747 176.650 175.900 0.005 0.000 1.162 643 Y CA 0.251 58.352 58.100 0.002 0.000 1.483 643 Y CB 0.090 38.544 38.460 -0.009 0.000 1.209 643 Y HN -0.283 nan 8.280 nan 0.000 0.528 644 T N 2.230 116.859 114.554 0.125 0.000 2.861 644 T HA 0.454 4.804 4.350 0.000 0.000 0.287 644 T C -0.449 174.295 174.700 0.073 0.000 1.003 644 T CA -0.956 61.194 62.100 0.082 0.000 0.977 644 T CB 1.428 70.326 68.868 0.049 0.000 0.996 644 T HN 0.231 nan 8.240 nan 0.000 0.448 645 V N 2.270 122.224 119.914 0.067 0.000 2.655 645 V HA 0.553 4.673 4.120 0.000 0.000 0.300 645 V C 0.579 176.700 176.094 0.044 0.000 1.044 645 V CA 0.029 62.365 62.300 0.060 0.000 1.095 645 V CB 0.410 32.271 31.823 0.064 0.000 0.952 645 V HN 1.182 nan 8.190 nan 0.000 0.485 646 A N 3.896 126.735 122.820 0.032 0.000 2.485 646 A HA 0.848 5.168 4.320 0.000 0.000 0.292 646 A C -0.278 177.304 177.584 -0.003 0.000 1.147 646 A CA -0.615 51.431 52.037 0.015 0.000 0.750 646 A CB 1.936 20.936 19.000 0.000 0.000 1.331 646 A HN 0.654 nan 8.150 nan 0.000 0.419 647 T N 2.676 117.224 114.554 -0.009 0.000 2.893 647 T HA 0.381 4.731 4.350 0.000 0.000 0.324 647 T C -0.757 173.899 174.700 -0.072 0.000 1.082 647 T CA -0.419 61.659 62.100 -0.037 0.000 0.983 647 T CB 0.633 69.504 68.868 0.004 0.000 1.005 647 T HN 0.564 nan 8.240 nan 0.000 0.475 648 Q N 1.860 121.511 119.800 -0.248 0.000 2.288 648 Q HA 0.490 4.830 4.340 0.000 0.000 0.254 648 Q C -0.449 175.425 176.000 -0.210 0.000 0.932 648 Q CA -0.369 55.297 55.803 -0.230 0.000 0.902 648 Q CB 1.277 29.699 28.738 -0.527 0.000 1.203 648 Q HN 0.491 nan 8.270 nan 0.000 0.415 649 S N 2.871 118.582 115.700 0.018 0.000 2.707 649 S HA 0.453 4.923 4.470 0.000 0.000 0.312 649 S C -0.014 174.652 174.600 0.110 0.000 1.116 649 S CA -0.742 57.502 58.200 0.072 0.000 1.078 649 S CB 0.728 63.978 63.200 0.082 0.000 0.997 649 S HN 0.383 nan 8.310 nan 0.000 0.477 650 I N 3.291 123.965 120.570 0.173 0.000 2.312 650 I HA 0.236 4.406 4.170 0.000 0.000 0.291 650 I C 0.530 176.745 176.117 0.164 0.000 1.031 650 I CA -0.244 61.150 61.300 0.156 0.000 1.293 650 I CB -0.050 38.083 38.000 0.222 0.000 1.403 650 I HN 0.711 nan 8.210 nan 0.000 0.484 651 H N 6.429 125.530 119.070 0.050 0.000 2.582 651 H HA 0.389 4.945 4.556 0.000 0.000 0.345 651 H C -0.456 174.875 175.328 0.005 0.000 1.104 651 H CA 0.020 56.053 56.048 -0.024 0.000 1.390 651 H CB 0.607 30.333 29.762 -0.060 0.000 1.461 651 H HN 0.706 nan 8.280 nan 0.000 0.551 652 H N 2.168 121.005 119.070 -0.388 0.000 2.690 652 H HA 0.602 5.158 4.556 0.000 0.000 0.368 652 H C 0.296 175.485 175.328 -0.231 0.000 1.150 652 H CA -0.661 55.262 56.048 -0.207 0.000 1.174 652 H CB 1.221 30.873 29.762 -0.183 0.000 1.684 652 H HN 1.025 nan 8.280 nan 0.000 0.538 653 G N 0.312 109.146 108.800 0.056 0.000 2.860 653 G HA2 0.300 4.260 3.960 0.000 0.000 0.553 653 G HA3 0.300 4.260 3.960 0.000 0.000 0.553 653 G C 0.472 175.393 174.900 0.035 0.000 1.439 653 G CA 0.433 45.551 45.100 0.030 0.000 0.879 653 G HN 2.256 nan 8.290 nan 0.000 0.545 654 G N -0.470 108.338 108.800 0.013 0.000 2.539 654 G HA2 -0.161 3.799 3.960 0.000 0.000 0.256 654 G HA3 -0.161 3.799 3.960 0.000 0.000 0.256 654 G C 0.992 175.863 174.900 -0.049 0.000 1.233 654 G CA 0.965 46.037 45.100 -0.047 0.000 0.936 654 G HN 1.392 nan 8.290 nan 0.000 0.571 655 K N 1.042 121.349 120.400 -0.155 0.000 2.296 655 K HA 0.035 4.355 4.320 0.000 0.000 0.200 655 K C 0.997 177.302 176.600 -0.491 0.000 1.048 655 K CA 1.385 57.537 56.287 -0.225 0.000 0.966 655 K CB 0.078 32.450 32.500 -0.213 0.000 0.754 655 K HN 0.583 nan 8.250 nan 0.000 0.466 656 E N 0.773 120.578 120.200 -0.658 0.000 3.351 656 E HA 0.201 4.551 4.350 0.000 0.000 0.220 656 E C -1.151 174.948 176.600 -0.835 0.000 1.150 656 E CA -0.382 55.145 56.400 -1.455 0.000 1.359 656 E CB 1.207 30.240 29.700 -1.113 0.000 1.365 656 E HN 0.110 nan 8.360 nan 0.000 0.434 657 A N 1.484 124.046 122.820 -0.429 0.000 2.437 657 A HA 0.188 4.508 4.320 0.000 0.000 0.303 657 A C 0.478 178.259 177.584 0.329 0.000 1.324 657 A CA -0.270 51.792 52.037 0.041 0.000 0.983 657 A CB -0.041 18.953 19.000 -0.010 0.000 1.142 657 A HN 0.170 nan 8.150 nan 0.000 0.541 658 T N 2.804 117.566 114.554 0.348 0.000 2.940 658 T HA 0.443 4.793 4.350 0.000 0.000 0.309 658 T C 0.574 175.320 174.700 0.077 0.000 1.056 658 T CA 0.940 63.198 62.100 0.264 0.000 1.137 658 T CB 0.141 69.076 68.868 0.111 0.000 0.976 658 T HN 1.114 nan 8.240 nan 0.000 0.547 659 S N 1.511 117.184 115.700 -0.046 0.000 2.615 659 S HA 0.565 5.035 4.470 0.000 0.000 0.268 659 S C -1.555 172.905 174.600 -0.233 0.000 1.146 659 S CA -1.111 56.969 58.200 -0.199 0.000 0.818 659 S CB 1.076 64.047 63.200 -0.383 0.000 1.111 659 S HN 0.463 nan 8.310 nan 0.000 0.465 660 I N 2.024 122.440 120.570 -0.256 0.000 2.359 660 I HA 0.273 4.443 4.170 0.000 0.000 0.284 660 I C -0.454 175.544 176.117 -0.198 0.000 1.018 660 I CA -0.553 60.617 61.300 -0.217 0.000 1.173 660 I CB 0.903 38.803 38.000 -0.167 0.000 1.326 660 I HN 0.644 nan 8.210 nan 0.000 0.462 661 L N 6.855 127.964 121.223 -0.192 0.000 2.574 661 L HA 0.133 4.473 4.340 0.000 0.000 0.281 661 L C 0.378 177.191 176.870 -0.095 0.000 1.212 661 L CA 0.056 54.810 54.840 -0.143 0.000 1.082 661 L CB -0.600 41.387 42.059 -0.120 0.000 1.362 661 L HN 0.374 nan 8.230 nan 0.000 0.451 662 L N 5.809 127.002 121.223 -0.051 0.000 2.416 662 L HA 0.202 4.542 4.340 0.000 0.000 0.272 662 L C -1.609 175.258 176.870 -0.005 0.000 1.161 662 L CA -1.552 53.293 54.840 0.009 0.000 0.845 662 L CB 0.740 42.858 42.059 0.099 0.000 1.119 662 L HN 0.309 nan 8.230 nan 0.000 0.464 663 P HA 0.097 nan 4.420 nan 0.000 0.231 663 P C -0.512 176.773 177.300 -0.025 0.000 1.811 663 P CA -0.160 62.909 63.100 -0.050 0.000 1.051 663 P CB 0.151 31.802 31.700 -0.082 0.000 1.951 664 V N 3.725 123.625 119.914 -0.022 0.000 2.488 664 V HA 0.187 4.307 4.120 0.000 0.000 0.277 664 V C 1.169 177.230 176.094 -0.055 0.000 1.046 664 V CA -0.219 62.067 62.300 -0.024 0.000 0.986 664 V CB 1.168 32.950 31.823 -0.068 0.000 0.989 664 V HN 0.294 nan 8.190 nan 0.000 0.475 665 V N 2.802 122.691 119.914 -0.042 0.000 3.158 665 V HA 0.744 4.864 4.120 0.000 0.000 0.315 665 V C -0.364 175.709 176.094 -0.035 0.000 1.148 665 V CA -1.129 61.141 62.300 -0.050 0.000 1.042 665 V CB 1.959 33.746 31.823 -0.060 0.000 1.101 665 V HN 0.722 nan 8.190 nan 0.000 0.448 666 K N 0.000 120.383 120.400 -0.028 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 666 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543