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_C 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 0.000 175.328 175.328 0.000 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.548 124.984 120.400 0.061 0.000 2.358 51 D HA 0.139 4.779 4.640 0.000 0.000 0.258 51 D C -1.175 175.172 176.300 0.077 0.000 1.223 51 D CA -1.994 52.016 54.000 0.017 0.000 0.886 51 D CB 1.366 42.182 40.800 0.026 0.000 1.120 51 D HN 0.272 nan 8.370 nan 0.000 0.482 52 P HA -0.127 nan 4.420 nan 0.000 0.222 52 P C 1.567 178.904 177.300 0.061 0.000 1.147 52 P CA 0.658 63.802 63.100 0.074 0.000 0.790 52 P CB 0.295 32.002 31.700 0.011 0.000 0.780 53 L N -1.440 119.805 121.223 0.037 0.000 2.465 53 L HA -0.036 4.304 4.340 0.000 0.000 0.224 53 L C 2.203 179.092 176.870 0.032 0.000 1.145 53 L CA 0.948 55.804 54.840 0.028 0.000 0.834 53 L CB -0.242 41.827 42.059 0.017 0.000 0.944 53 L HN 0.037 nan 8.230 nan 0.000 0.451 54 S N -1.861 113.867 115.700 0.045 0.000 2.979 54 S HA 0.148 4.618 4.470 0.000 0.000 0.243 54 S C 0.483 175.109 174.600 0.043 0.000 1.036 54 S CA -0.265 57.958 58.200 0.039 0.000 0.846 54 S CB 0.677 63.898 63.200 0.035 0.000 0.806 54 S HN -0.100 nan 8.310 nan 0.000 0.568 55 V N 3.490 123.448 119.914 0.073 0.000 2.432 55 V HA 0.450 4.570 4.120 0.000 0.000 0.271 55 V C -0.276 175.850 176.094 0.054 0.000 1.046 55 V CA -0.158 62.167 62.300 0.043 0.000 0.945 55 V CB 1.032 32.868 31.823 0.022 0.000 0.992 55 V HN 0.390 nan 8.190 nan 0.000 0.471 56 Q N 3.794 123.590 119.800 -0.005 0.000 2.333 56 Q HA 0.424 4.764 4.340 0.000 0.000 0.265 56 Q C 0.356 176.324 176.000 -0.052 0.000 0.989 56 Q CA -0.171 55.634 55.803 0.003 0.000 0.842 56 Q CB 1.867 30.612 28.738 0.012 0.000 1.262 56 Q HN 0.788 nan 8.270 nan 0.000 0.451 57 T N 0.538 115.059 114.554 -0.056 0.000 3.000 57 T HA 0.322 4.672 4.350 0.000 0.000 0.248 57 T C 0.958 175.646 174.700 -0.020 0.000 1.034 57 T CA 0.254 62.306 62.100 -0.081 0.000 1.060 57 T CB 0.241 69.019 68.868 -0.150 0.000 0.983 57 T HN 0.573 nan 8.240 nan 0.000 0.482 58 G N 1.594 110.402 108.800 0.013 0.000 2.735 58 G HA2 0.432 4.392 3.960 0.000 0.000 0.192 58 G HA3 0.432 4.392 3.960 0.000 0.000 0.192 58 G C -0.330 174.575 174.900 0.009 0.000 1.547 58 G CA -0.105 45.005 45.100 0.016 0.000 1.080 58 G HN 0.458 nan 8.290 nan 0.000 0.569 59 S N -1.208 114.499 115.700 0.012 0.000 2.500 59 S HA 0.337 4.807 4.470 0.000 0.000 0.301 59 S C 0.078 174.685 174.600 0.011 0.000 1.092 59 S CA -0.573 57.632 58.200 0.008 0.000 1.030 59 S CB 1.785 64.989 63.200 0.007 0.000 1.031 59 S HN 0.324 nan 8.310 nan 0.000 0.483 60 D N 2.816 123.222 120.400 0.009 0.000 2.378 60 D HA 0.116 4.756 4.640 0.000 0.000 0.227 60 D C 0.274 176.581 176.300 0.011 0.000 1.012 60 D CA 0.678 54.684 54.000 0.011 0.000 0.905 60 D CB -0.050 40.755 40.800 0.009 0.000 0.895 60 D HN 0.592 nan 8.370 nan 0.000 0.532 61 I N 2.135 122.711 120.570 0.010 0.000 2.325 61 I HA 0.161 4.331 4.170 0.000 0.000 0.291 61 I C -1.992 174.132 176.117 0.012 0.000 1.019 61 I CA -1.951 59.356 61.300 0.011 0.000 1.302 61 I CB 0.922 38.928 38.000 0.010 0.000 1.401 61 I HN -0.348 nan 8.210 nan 0.000 0.485 62 P HA 0.016 nan 4.420 nan 0.000 0.267 62 P C 0.332 177.637 177.300 0.010 0.000 1.200 62 P CA -0.025 63.083 63.100 0.013 0.000 0.772 62 P CB 0.893 32.603 31.700 0.017 0.000 0.855 63 A N 1.624 124.447 122.820 0.005 0.000 1.970 63 A HA 0.108 4.428 4.320 0.000 0.000 0.216 63 A C 0.997 178.580 177.584 -0.003 0.000 1.170 63 A CA 1.435 53.473 52.037 0.001 0.000 0.645 63 A CB -0.279 18.720 19.000 -0.002 0.000 0.816 63 A HN 0.549 nan 8.150 nan 0.000 0.447 64 S N -0.751 114.944 115.700 -0.008 0.000 2.572 64 S HA 0.539 5.009 4.470 0.000 0.000 0.274 64 S C -0.769 173.829 174.600 -0.003 0.000 1.150 64 S CA -0.248 57.941 58.200 -0.018 0.000 0.944 64 S CB 1.270 64.434 63.200 -0.059 0.000 1.071 64 S HN 0.786 nan 8.310 nan 0.000 0.479 65 V N 2.550 122.484 119.914 0.034 0.000 2.966 65 V HA 0.780 4.900 4.120 0.000 0.000 0.317 65 V C -0.646 175.573 176.094 0.210 0.000 1.070 65 V CA -0.691 61.660 62.300 0.085 0.000 1.008 65 V CB 1.454 33.325 31.823 0.080 0.000 1.070 65 V HN 1.038 nan 8.190 nan 0.000 0.457 66 H N 1.264 120.338 119.070 0.006 0.000 2.980 66 H HA 0.426 4.982 4.556 0.000 0.000 0.254 66 H C -0.745 174.584 175.328 0.000 0.000 1.406 66 H CA -0.457 55.593 56.048 0.004 0.000 1.479 66 H CB 0.472 30.236 29.762 0.003 0.000 2.097 66 H HN 0.728 nan 8.280 nan 0.000 0.658 67 M N 2.376 121.998 119.600 0.036 0.000 2.228 67 M HA 0.194 4.674 4.480 0.000 0.000 0.351 67 M C -1.213 175.065 176.300 -0.037 0.000 1.233 67 M CA -1.297 54.006 55.300 0.005 0.000 1.129 67 M CB 1.028 33.633 32.600 0.007 0.000 1.604 67 M HN 0.216 nan 8.290 nan 0.000 0.457 68 P HA -0.113 nan 4.420 nan 0.000 0.231 68 P C 0.985 178.257 177.300 -0.048 0.000 1.158 68 P CA 1.037 64.114 63.100 -0.038 0.000 0.763 68 P CB -0.380 31.309 31.700 -0.019 0.000 0.805 69 T N -3.145 111.385 114.554 -0.040 0.000 2.778 69 T HA -0.211 4.139 4.350 0.000 0.000 0.269 69 T C 1.354 176.010 174.700 -0.073 0.000 1.050 69 T CA 1.495 63.571 62.100 -0.040 0.000 1.137 69 T CB -0.951 67.904 68.868 -0.021 0.000 0.860 69 T HN 0.143 nan 8.240 nan 0.000 0.468 70 D N 1.632 121.975 120.400 -0.096 0.000 2.219 70 D HA -0.089 4.551 4.640 0.000 0.000 0.205 70 D C 2.342 178.548 176.300 -0.157 0.000 0.970 70 D CA 0.895 54.809 54.000 -0.144 0.000 0.851 70 D CB -0.164 40.542 40.800 -0.157 0.000 0.943 70 D HN 0.569 nan 8.370 nan 0.000 0.488 71 Q N 0.370 120.101 119.800 -0.116 0.000 2.331 71 Q HA 0.005 4.345 4.340 0.000 0.000 0.203 71 Q C 1.728 177.676 176.000 -0.087 0.000 0.944 71 Q CA 0.400 56.144 55.803 -0.098 0.000 0.892 71 Q CB -0.215 28.481 28.738 -0.070 0.000 0.983 71 Q HN 0.423 nan 8.270 nan 0.000 0.482 72 Q N 0.847 120.599 119.800 -0.081 0.000 2.451 72 Q HA 0.068 4.408 4.340 0.000 0.000 0.206 72 Q C 0.117 176.072 176.000 -0.075 0.000 0.947 72 Q CA 0.035 55.802 55.803 -0.060 0.000 0.937 72 Q CB 0.355 29.070 28.738 -0.038 0.000 1.025 72 Q HN 0.299 nan 8.270 nan 0.000 0.511 73 R N 1.397 121.810 120.500 -0.145 0.000 2.707 73 R HA -0.023 4.317 4.340 0.000 0.000 0.270 73 R C 0.632 176.842 176.300 -0.150 0.000 1.083 73 R CA 0.393 56.359 56.100 -0.223 0.000 1.182 73 R CB 0.312 30.255 30.300 -0.596 0.000 1.084 73 R HN 0.064 nan 8.270 nan 0.000 0.528 74 D N 0.481 120.853 120.400 -0.048 0.000 2.462 74 D HA 0.024 4.664 4.640 0.000 0.000 0.221 74 D C -0.586 175.794 176.300 0.133 0.000 1.173 74 D CA -0.151 53.877 54.000 0.047 0.000 0.831 74 D CB -0.005 40.851 40.800 0.093 0.000 1.001 74 D HN 0.499 nan 8.370 nan 0.000 0.499 75 Y N -2.028 118.278 120.300 0.009 0.000 2.728 75 Y HA 0.700 5.250 4.550 0.000 0.000 0.330 75 Y C -1.716 174.190 175.900 0.010 0.000 1.234 75 Y CA -1.744 56.364 58.100 0.014 0.000 1.070 75 Y CB 1.080 39.554 38.460 0.023 0.000 1.300 75 Y HN -0.236 nan 8.280 nan 0.000 0.467 76 I N 1.907 122.597 120.570 0.200 0.000 2.534 76 I HA 0.351 4.521 4.170 0.000 0.000 0.288 76 I C -0.954 175.304 176.117 0.235 0.000 1.077 76 I CA -0.773 60.582 61.300 0.092 0.000 1.051 76 I CB 2.148 40.173 38.000 0.042 0.000 1.234 76 I HN 0.514 nan 8.210 nan 0.000 0.425 77 K N 6.178 126.705 120.400 0.213 0.000 2.240 77 K HA 0.521 4.841 4.320 0.000 0.000 0.271 77 K C -0.640 176.024 176.600 0.107 0.000 1.018 77 K CA -0.719 55.688 56.287 0.201 0.000 0.874 77 K CB 1.307 33.956 32.500 0.248 0.000 1.098 77 K HN 0.492 nan 8.250 nan 0.000 0.458 78 R N 2.902 123.453 120.500 0.086 0.000 2.343 78 R HA 0.173 4.513 4.340 0.000 0.000 0.320 78 R C -0.849 175.454 176.300 0.004 0.000 0.956 78 R CA -0.435 55.698 56.100 0.056 0.000 0.836 78 R CB 1.171 31.517 30.300 0.076 0.000 1.151 78 R HN 0.585 nan 8.270 nan 0.000 0.450 79 E N 2.743 122.923 120.200 -0.032 0.000 2.151 79 E HA 0.377 4.727 4.350 0.000 0.000 0.275 79 E C -1.333 175.161 176.600 -0.176 0.000 0.936 79 E CA -0.740 55.558 56.400 -0.170 0.000 0.777 79 E CB 2.591 32.215 29.700 -0.126 0.000 1.108 79 E HN 0.160 nan 8.360 nan 0.000 0.401 80 V N 3.909 123.639 119.914 -0.307 0.000 2.891 80 V HA 0.231 4.351 4.120 0.000 0.000 0.304 80 V C -1.274 174.592 176.094 -0.381 0.000 1.171 80 V CA -0.859 61.282 62.300 -0.266 0.000 0.943 80 V CB 1.977 33.682 31.823 -0.196 0.000 1.037 80 V HN 0.668 nan 8.190 nan 0.000 0.427 81 M N 6.277 125.720 119.600 -0.263 0.000 2.775 81 M HA 0.277 4.757 4.480 0.000 0.000 0.313 81 M C -0.191 175.903 176.300 -0.344 0.000 1.429 81 M CA 0.061 55.228 55.300 -0.222 0.000 1.494 81 M CB 0.169 32.717 32.600 -0.086 0.000 1.274 81 M HN 0.465 nan 8.290 nan 0.000 0.491 82 V N 7.154 126.747 119.914 -0.536 0.000 2.485 82 V HA 0.101 4.221 4.120 0.000 0.000 0.287 82 V C -1.764 174.116 176.094 -0.356 0.000 1.022 82 V CA -0.860 60.977 62.300 -0.772 0.000 1.067 82 V CB 0.165 31.465 31.823 -0.873 0.000 0.967 82 V HN 0.522 nan 8.190 nan 0.000 0.479 83 P HA 0.311 nan 4.420 nan 0.000 0.286 83 P C -0.611 176.687 177.300 -0.003 0.000 1.269 83 P CA -0.539 62.520 63.100 -0.068 0.000 0.787 83 P CB 0.999 32.697 31.700 -0.003 0.000 0.920 84 M N 3.385 122.999 119.600 0.024 0.000 2.291 84 M HA 0.228 4.708 4.480 0.000 0.000 0.324 84 M C 2.220 178.569 176.300 0.082 0.000 1.148 84 M CA -0.519 54.821 55.300 0.067 0.000 1.104 84 M CB 0.607 33.246 32.600 0.066 0.000 1.483 84 M HN 0.462 nan 8.290 nan 0.000 0.467 85 R N 1.623 122.187 120.500 0.106 0.000 2.159 85 R HA -0.241 4.099 4.340 0.000 0.000 0.249 85 R C 0.686 177.022 176.300 0.059 0.000 1.136 85 R CA 2.526 58.680 56.100 0.090 0.000 0.951 85 R CB -1.110 29.235 30.300 0.076 0.000 0.876 85 R HN 0.764 nan 8.270 nan 0.000 0.440 86 D N -0.085 120.344 120.400 0.048 0.000 2.358 86 D HA 0.012 4.652 4.640 0.000 0.000 0.241 86 D C 1.099 177.422 176.300 0.038 0.000 1.094 86 D CA 0.966 54.988 54.000 0.036 0.000 0.907 86 D CB 0.007 40.825 40.800 0.031 0.000 0.893 86 D HN 0.680 nan 8.370 nan 0.000 0.528 87 G N -0.640 108.186 108.800 0.044 0.000 2.176 87 G HA2 -0.264 3.696 3.960 0.000 0.000 0.253 87 G HA3 -0.264 3.696 3.960 0.000 0.000 0.253 87 G C 0.177 175.098 174.900 0.035 0.000 0.979 87 G CA 0.179 45.303 45.100 0.040 0.000 0.641 87 G HN 0.388 nan 8.290 nan 0.000 0.530 88 V N 1.712 121.648 119.914 0.037 0.000 2.461 88 V HA 0.397 4.518 4.120 0.000 0.000 0.275 88 V C 0.731 176.840 176.094 0.024 0.000 1.047 88 V CA -0.172 62.150 62.300 0.035 0.000 0.955 88 V CB 1.443 33.294 31.823 0.046 0.000 0.988 88 V HN 0.308 nan 8.190 nan 0.000 0.471 89 K N 5.375 125.784 120.400 0.015 0.000 2.143 89 K HA 0.653 4.973 4.320 0.000 0.000 0.272 89 K C -1.024 175.577 176.600 0.001 0.000 1.001 89 K CA -0.495 55.784 56.287 -0.014 0.000 0.915 89 K CB 1.407 33.894 32.500 -0.021 0.000 1.047 89 K HN 0.480 nan 8.250 nan 0.000 0.458 90 L N 3.045 124.248 121.223 -0.033 0.000 2.341 90 L HA 0.314 4.654 4.340 0.000 0.000 0.278 90 L C -0.561 176.310 176.870 0.001 0.000 1.005 90 L CA -1.183 53.664 54.840 0.011 0.000 0.818 90 L CB 1.024 43.088 42.059 0.008 0.000 1.259 90 L HN 0.594 nan 8.230 nan 0.000 0.418 91 Y N 2.722 123.001 120.300 -0.035 0.000 2.650 91 Y HA 0.092 4.642 4.550 0.000 0.000 0.331 91 Y C -0.128 175.751 175.900 -0.035 0.000 1.165 91 Y CA 0.444 58.525 58.100 -0.032 0.000 1.473 91 Y CB 0.512 38.975 38.460 0.006 0.000 1.224 91 Y HN 0.494 nan 8.280 nan 0.000 0.533 92 T N 5.965 120.242 114.554 -0.462 0.000 2.881 92 T HA 0.463 4.813 4.350 0.000 0.000 0.290 92 T C -1.118 173.370 174.700 -0.353 0.000 1.000 92 T CA -0.756 61.172 62.100 -0.286 0.000 0.978 92 T CB 1.325 70.031 68.868 -0.271 0.000 0.997 92 T HN 0.348 nan 8.240 nan 0.000 0.443 93 V N 4.462 124.312 119.914 -0.107 0.000 2.370 93 V HA 0.482 4.602 4.120 0.000 0.000 0.283 93 V C -0.265 175.858 176.094 0.047 0.000 1.023 93 V CA -0.777 61.508 62.300 -0.027 0.000 0.857 93 V CB 1.044 32.934 31.823 0.112 0.000 0.985 93 V HN 0.791 nan 8.190 nan 0.000 0.443 94 I N 5.541 126.137 120.570 0.043 0.000 2.328 94 I HA 0.396 4.566 4.170 0.000 0.000 0.287 94 I C -0.430 175.743 176.117 0.094 0.000 1.012 94 I CA -0.715 60.630 61.300 0.076 0.000 1.195 94 I CB 1.653 39.708 38.000 0.092 0.000 1.350 94 I HN 0.247 nan 8.210 nan 0.000 0.464 95 V N 7.704 127.675 119.914 0.095 0.000 2.304 95 V HA 0.386 4.506 4.120 0.000 0.000 0.269 95 V C 0.147 176.303 176.094 0.104 0.000 1.036 95 V CA -0.295 62.065 62.300 0.100 0.000 0.840 95 V CB 0.650 32.491 31.823 0.030 0.000 1.036 95 V HN 0.503 nan 8.190 nan 0.000 0.466 96 I N 7.056 127.706 120.570 0.133 0.000 2.339 96 I HA 0.383 4.553 4.170 0.000 0.000 0.290 96 I C -2.369 173.831 176.117 0.137 0.000 0.994 96 I CA -2.248 59.117 61.300 0.107 0.000 1.191 96 I CB 1.898 39.943 38.000 0.076 0.000 1.343 96 I HN 0.354 nan 8.210 nan 0.000 0.458 97 P HA 0.010 nan 4.420 nan 0.000 0.264 97 P C -0.565 176.786 177.300 0.086 0.000 1.193 97 P CA -0.243 62.929 63.100 0.120 0.000 0.763 97 P CB 0.408 32.159 31.700 0.086 0.000 0.810 98 K N 3.432 123.881 120.400 0.082 0.000 2.524 98 K HA -0.031 4.289 4.320 0.000 0.000 0.279 98 K C 0.494 177.109 176.600 0.025 0.000 0.993 98 K CA 0.606 56.915 56.287 0.035 0.000 1.030 98 K CB -0.410 32.098 32.500 0.012 0.000 0.891 98 K HN 0.416 nan 8.250 nan 0.000 0.488 99 N N 0.582 119.289 118.700 0.012 0.000 2.726 99 N HA -0.196 4.544 4.740 0.000 0.000 0.253 99 N C -1.678 173.836 175.510 0.005 0.000 1.059 99 N CA 1.078 54.131 53.050 0.005 0.000 0.701 99 N CB -0.971 37.518 38.487 0.003 0.000 0.899 99 N HN 0.592 nan 8.380 nan 0.000 0.548 100 A N 1.630 124.453 122.820 0.005 0.000 2.256 100 A HA 0.529 4.849 4.320 0.000 0.000 0.317 100 A C 0.634 178.209 177.584 -0.015 0.000 1.318 100 A CA -0.748 51.288 52.037 -0.002 0.000 0.894 100 A CB 0.606 19.609 19.000 0.006 0.000 1.165 100 A HN 0.299 nan 8.150 nan 0.000 0.525 101 R N 3.538 124.024 120.500 -0.023 0.000 2.239 101 R HA 0.384 4.724 4.340 0.000 0.000 0.332 101 R C -0.994 175.280 176.300 -0.043 0.000 0.988 101 R CA -0.814 55.268 56.100 -0.030 0.000 0.859 101 R CB 0.289 30.573 30.300 -0.026 0.000 1.148 101 R HN 0.600 nan 8.270 nan 0.000 0.482 102 N N 0.906 119.576 118.700 -0.049 0.000 2.610 102 N HA -0.179 4.561 4.740 0.000 0.000 0.271 102 N C -1.226 174.231 175.510 -0.089 0.000 1.146 102 N CA 1.176 54.187 53.050 -0.065 0.000 0.711 102 N CB -0.572 37.879 38.487 -0.060 0.000 0.883 102 N HN 0.875 nan 8.380 nan 0.000 0.548 103 A N 1.609 124.371 122.820 -0.096 0.000 2.337 103 A HA 0.774 5.094 4.320 0.000 0.000 0.329 103 A C -2.155 175.321 177.584 -0.180 0.000 1.146 103 A CA -1.405 50.545 52.037 -0.146 0.000 0.800 103 A CB 1.505 20.444 19.000 -0.101 0.000 1.220 103 A HN 0.113 nan 8.150 nan 0.000 0.472 104 P HA 0.284 nan 4.420 nan 0.000 0.272 104 P C -0.718 176.490 177.300 -0.153 0.000 1.223 104 P CA 0.250 63.182 63.100 -0.281 0.000 0.784 104 P CB 0.653 32.055 31.700 -0.498 0.000 0.923 105 I N 1.935 122.471 120.570 -0.057 0.000 2.392 105 I HA 0.288 4.458 4.170 0.000 0.000 0.295 105 I C 0.296 176.436 176.117 0.039 0.000 0.985 105 I CA -0.957 60.342 61.300 -0.002 0.000 1.221 105 I CB 1.458 39.436 38.000 -0.037 0.000 1.366 105 I HN 0.155 nan 8.210 nan 0.000 0.467 106 L N 7.070 128.301 121.223 0.014 0.000 2.276 106 L HA 0.449 4.789 4.340 0.000 0.000 0.286 106 L C -0.826 175.944 176.870 -0.168 0.000 1.024 106 L CA -0.425 54.347 54.840 -0.113 0.000 0.826 106 L CB 1.191 43.046 42.059 -0.340 0.000 1.211 106 L HN 0.429 nan 8.230 nan 0.000 0.422 107 L N 4.685 125.822 121.223 -0.144 0.000 2.322 107 L HA 0.762 5.102 4.340 0.000 0.000 0.279 107 L C -0.621 176.113 176.870 -0.226 0.000 1.036 107 L CA 0.415 55.153 54.840 -0.169 0.000 0.807 107 L CB 1.859 43.858 42.059 -0.100 0.000 1.226 107 L HN 0.617 nan 8.230 nan 0.000 0.433 108 T N 4.974 119.333 114.554 -0.325 0.000 3.109 108 T HA 0.496 4.846 4.350 0.000 0.000 0.311 108 T C -0.716 173.904 174.700 -0.133 0.000 1.011 108 T CA -0.606 61.305 62.100 -0.316 0.000 1.026 108 T CB 1.111 69.551 68.868 -0.712 0.000 1.047 108 T HN 0.549 nan 8.240 nan 0.000 0.448 109 R N 1.751 122.266 120.500 0.025 0.000 2.255 109 R HA 0.700 5.040 4.340 0.000 0.000 0.326 109 R C -0.297 176.115 176.300 0.186 0.000 0.986 109 R CA -0.727 55.442 56.100 0.114 0.000 0.847 109 R CB 1.611 31.985 30.300 0.124 0.000 1.111 109 R HN 0.501 nan 8.270 nan 0.000 0.452 110 T N 2.608 117.272 114.554 0.183 0.000 2.893 110 T HA 0.395 4.745 4.350 0.000 0.000 0.293 110 T C -2.263 172.387 174.700 -0.083 0.000 1.027 110 T CA -2.181 59.991 62.100 0.121 0.000 0.988 110 T CB 1.743 70.784 68.868 0.289 0.000 1.043 110 T HN 0.348 nan 8.240 nan 0.000 0.461 111 P HA 0.214 nan 4.420 nan 0.000 0.261 111 P C -0.640 176.379 177.300 -0.468 0.000 1.352 111 P CA -0.058 62.681 63.100 -0.603 0.000 0.891 111 P CB -0.176 30.824 31.700 -1.167 0.000 1.383 112 Y N 0.300 120.583 120.300 -0.028 0.000 2.631 112 Y HA 0.348 4.898 4.550 0.000 0.000 0.361 112 Y C 0.473 176.173 175.900 -0.333 0.000 0.941 112 Y CA -1.862 56.192 58.100 -0.076 0.000 1.327 112 Y CB -1.132 37.333 38.460 0.009 0.000 1.299 112 Y HN -0.066 nan 8.280 nan 0.000 0.578 113 N N 0.761 119.089 118.700 -0.620 0.000 2.501 113 N HA -0.236 4.504 4.740 0.000 0.000 0.291 113 N C 0.914 176.197 175.510 -0.378 0.000 1.304 113 N CA 0.568 53.032 53.050 -0.977 0.000 0.686 113 N CB -0.273 37.395 38.487 -1.363 0.000 0.924 113 N HN 0.610 nan 8.380 nan 0.000 0.533 114 A N 3.250 125.975 122.820 -0.159 0.000 2.032 114 A HA -0.229 4.091 4.320 0.000 0.000 0.221 114 A C 2.042 179.618 177.584 -0.013 0.000 1.165 114 A CA 1.985 54.042 52.037 0.032 0.000 0.645 114 A CB -0.299 18.856 19.000 0.258 0.000 0.807 114 A HN 0.745 nan 8.150 nan 0.000 0.453 115 K N -0.882 119.485 120.400 -0.055 0.000 1.985 115 K HA -0.100 4.220 4.320 0.000 0.000 0.210 115 K C 2.101 178.635 176.600 -0.111 0.000 1.047 115 K CA 1.390 57.672 56.287 -0.008 0.000 0.932 115 K CB -0.559 31.890 32.500 -0.086 0.000 0.716 115 K HN 0.384 nan 8.250 nan 0.000 0.439 116 G N 0.950 109.637 108.800 -0.187 0.000 2.432 116 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 116 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 116 G C 1.459 176.216 174.900 -0.237 0.000 1.135 116 G CA 0.229 45.220 45.100 -0.181 0.000 0.767 116 G HN 0.169 nan 8.290 nan 0.000 0.550 117 R N 0.808 121.096 120.500 -0.353 0.000 2.105 117 R HA -0.005 4.335 4.340 0.000 0.000 0.239 117 R C 2.405 178.283 176.300 -0.703 0.000 1.135 117 R CA 1.170 56.906 56.100 -0.606 0.000 0.967 117 R CB -0.786 28.922 30.300 -0.987 0.000 0.861 117 R HN 0.347 nan 8.270 nan 0.000 0.442 118 A N 0.512 123.020 122.820 -0.520 0.000 2.370 118 A HA 0.116 4.436 4.320 0.000 0.000 0.238 118 A C 0.298 177.782 177.584 -0.167 0.000 1.289 118 A CA -0.132 51.731 52.037 -0.289 0.000 0.885 118 A CB -0.006 18.933 19.000 -0.102 0.000 0.961 118 A HN 0.087 nan 8.150 nan 0.000 0.499 119 N N 0.252 118.854 118.700 -0.164 0.000 2.679 119 N HA 0.119 4.859 4.740 0.000 0.000 0.302 119 N C 0.959 176.418 175.510 -0.085 0.000 1.941 119 N CA -0.214 52.778 53.050 -0.096 0.000 0.875 119 N CB 0.361 38.808 38.487 -0.067 0.000 1.278 119 N HN 0.446 nan 8.380 nan 0.000 0.490 120 R N -0.188 120.259 120.500 -0.088 0.000 2.094 120 R HA -0.037 4.303 4.340 0.000 0.000 0.239 120 R C -0.025 176.256 176.300 -0.031 0.000 1.137 120 R CA 1.325 57.392 56.100 -0.055 0.000 0.943 120 R CB 0.199 30.473 30.300 -0.043 0.000 0.850 120 R HN -0.027 nan 8.270 nan 0.000 0.433 121 V N 4.041 123.938 119.914 -0.027 0.000 2.293 121 V HA 0.246 4.366 4.120 0.000 0.000 0.275 121 V C -2.262 173.832 176.094 -0.000 0.000 1.021 121 V CA -1.890 60.405 62.300 -0.008 0.000 0.815 121 V CB 1.296 33.120 31.823 0.002 0.000 1.025 121 V HN 0.238 nan 8.190 nan 0.000 0.448 122 P HA -0.082 nan 4.420 nan 0.000 0.259 122 P C 0.333 177.657 177.300 0.041 0.000 1.155 122 P CA 0.658 63.766 63.100 0.013 0.000 0.759 122 P CB -0.145 31.560 31.700 0.009 0.000 0.753 123 N N -0.277 118.465 118.700 0.070 0.000 2.707 123 N HA -0.195 4.545 4.740 0.000 0.000 0.253 123 N C 0.182 175.776 175.510 0.141 0.000 0.998 123 N CA 0.550 53.674 53.050 0.124 0.000 0.751 123 N CB -1.672 36.864 38.487 0.081 0.000 0.920 123 N HN 0.622 nan 8.380 nan 0.000 0.539 124 A N -0.108 122.799 122.820 0.144 0.000 2.466 124 A HA 0.207 4.527 4.320 0.000 0.000 0.238 124 A C 1.431 179.154 177.584 0.231 0.000 1.074 124 A CA -0.133 51.985 52.037 0.135 0.000 0.774 124 A CB 0.291 19.337 19.000 0.077 0.000 1.015 124 A HN 0.405 nan 8.150 nan 0.000 0.498 125 L N 0.666 121.975 121.223 0.144 0.000 2.156 125 L HA -0.015 4.325 4.340 0.000 0.000 0.208 125 L C 1.553 178.537 176.870 0.190 0.000 1.095 125 L CA 1.669 56.580 54.840 0.118 0.000 0.770 125 L CB -0.536 41.557 42.059 0.056 0.000 0.914 125 L HN 0.940 nan 8.230 nan 0.000 0.439 126 T N -4.245 110.429 114.554 0.200 0.000 2.856 126 T HA 0.232 4.582 4.350 0.000 0.000 0.283 126 T C 0.728 175.520 174.700 0.153 0.000 1.008 126 T CA -0.670 61.550 62.100 0.200 0.000 0.997 126 T CB 2.251 71.177 68.868 0.096 0.000 0.992 126 T HN 0.070 nan 8.240 nan 0.000 0.454 127 M N 1.595 121.277 119.600 0.136 0.000 2.106 127 M HA -0.121 4.359 4.480 0.000 0.000 0.259 127 M C 2.376 178.603 176.300 -0.121 0.000 1.068 127 M CA 1.865 57.059 55.300 -0.177 0.000 1.100 127 M CB -0.265 32.298 32.600 -0.061 0.000 1.351 127 M HN 0.800 nan 8.290 nan 0.000 0.404 128 R N 0.738 121.220 120.500 -0.030 0.000 2.133 128 R HA -0.203 4.137 4.340 0.000 0.000 0.247 128 R C 1.619 177.898 176.300 -0.035 0.000 1.151 128 R CA 2.462 58.547 56.100 -0.026 0.000 0.971 128 R CB -0.392 29.905 30.300 -0.005 0.000 0.866 128 R HN 0.682 nan 8.270 nan 0.000 0.447 129 E N -1.218 118.965 120.200 -0.029 0.000 2.250 129 E HA -0.045 4.305 4.350 0.000 0.000 0.192 129 E C 1.885 178.452 176.600 -0.054 0.000 0.986 129 E CA 0.722 57.107 56.400 -0.025 0.000 0.849 129 E CB -0.105 29.596 29.700 0.002 0.000 0.797 129 E HN 0.138 nan 8.360 nan 0.000 0.482 130 V N 1.417 121.264 119.914 -0.112 0.000 2.548 130 V HA -0.034 4.086 4.120 0.000 0.000 0.249 130 V C 1.015 177.020 176.094 -0.148 0.000 1.055 130 V CA 0.927 63.127 62.300 -0.167 0.000 1.065 130 V CB -0.028 31.562 31.823 -0.387 0.000 0.681 130 V HN 0.140 nan 8.190 nan 0.000 0.462 131 L N 0.669 121.817 121.223 -0.125 0.000 2.379 131 L HA 0.390 4.730 4.340 0.000 0.000 0.269 131 L C -2.112 174.731 176.870 -0.044 0.000 1.084 131 L CA -1.902 52.898 54.840 -0.066 0.000 0.802 131 L CB 0.967 43.012 42.059 -0.024 0.000 1.175 131 L HN 0.045 nan 8.230 nan 0.000 0.448 132 P HA -0.076 nan 4.420 nan 0.000 0.270 132 P C 0.074 177.342 177.300 -0.054 0.000 1.221 132 P CA -0.053 63.025 63.100 -0.036 0.000 0.788 132 P CB 0.451 32.142 31.700 -0.014 0.000 0.904 133 Q N 1.220 120.967 119.800 -0.089 0.000 2.135 133 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 133 Q C 1.924 177.843 176.000 -0.135 0.000 0.981 133 Q CA 2.253 57.997 55.803 -0.097 0.000 0.856 133 Q CB -1.046 27.649 28.738 -0.073 0.000 0.902 133 Q HN 0.667 nan 8.270 nan 0.000 0.425 134 G N -0.317 108.359 108.800 -0.206 0.000 2.679 134 G HA2 -0.160 3.800 3.960 0.000 0.000 0.212 134 G HA3 -0.160 3.800 3.960 0.000 0.000 0.212 134 G C 0.511 175.367 174.900 -0.074 0.000 1.137 134 G CA 0.674 45.680 45.100 -0.157 0.000 0.787 134 G HN 0.357 nan 8.290 nan 0.000 0.534 135 D N 0.865 121.247 120.400 -0.031 0.000 2.339 135 D HA 0.007 4.647 4.640 0.000 0.000 0.217 135 D C 2.069 178.329 176.300 -0.068 0.000 1.050 135 D CA 0.420 54.444 54.000 0.041 0.000 0.856 135 D CB 0.052 40.901 40.800 0.081 0.000 0.922 135 D HN 0.415 nan 8.370 nan 0.000 0.518 136 D N 1.044 121.377 120.400 -0.113 0.000 2.170 136 D HA -0.204 4.436 4.640 0.000 0.000 0.193 136 D C 1.971 178.155 176.300 -0.194 0.000 1.004 136 D CA 1.721 55.654 54.000 -0.112 0.000 0.860 136 D CB -0.755 40.008 40.800 -0.061 0.000 0.931 136 D HN 0.302 nan 8.370 nan 0.000 0.448 137 V N -2.499 117.169 119.914 -0.410 0.000 2.591 137 V HA -0.044 4.077 4.120 0.000 0.000 0.249 137 V C 2.376 178.093 176.094 -0.629 0.000 1.053 137 V CA 0.913 62.865 62.300 -0.579 0.000 1.068 137 V CB -1.219 30.079 31.823 -0.876 0.000 0.689 137 V HN -0.043 nan 8.190 nan 0.000 0.462 138 F N 0.256 119.968 119.950 -0.397 0.000 2.512 138 F HA 0.190 4.717 4.527 0.000 0.000 0.296 138 F C 2.321 178.045 175.800 -0.127 0.000 1.110 138 F CA 0.829 58.544 58.000 -0.476 0.000 1.446 138 F CB -0.723 37.882 39.000 -0.659 0.000 1.092 138 F HN -0.020 nan 8.300 nan 0.000 0.554 139 V N -0.281 119.651 119.914 0.031 0.000 2.407 139 V HA -0.206 3.914 4.120 0.000 0.000 0.245 139 V C 2.207 178.328 176.094 0.045 0.000 1.041 139 V CA 1.666 63.998 62.300 0.052 0.000 1.040 139 V CB -0.347 31.483 31.823 0.011 0.000 0.671 139 V HN 0.207 nan 8.190 nan 0.000 0.455 140 E N 0.171 120.364 120.200 -0.011 0.000 2.160 140 E HA -0.164 4.186 4.350 0.000 0.000 0.195 140 E C 2.126 178.746 176.600 0.034 0.000 0.991 140 E CA 1.266 57.661 56.400 -0.008 0.000 0.810 140 E CB -0.361 29.307 29.700 -0.053 0.000 0.742 140 E HN 0.609 nan 8.360 nan 0.000 0.466 141 G N -1.193 107.657 108.800 0.083 0.000 2.813 141 G HA2 0.114 4.074 3.960 0.000 0.000 0.209 141 G HA3 0.114 4.074 3.960 0.000 0.000 0.209 141 G C 0.993 176.033 174.900 0.233 0.000 1.150 141 G CA 0.264 45.484 45.100 0.200 0.000 0.785 141 G HN 0.431 nan 8.290 nan 0.000 0.535 142 G N -1.323 107.600 108.800 0.205 0.000 2.136 142 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 142 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 142 G C 0.185 175.168 174.900 0.140 0.000 0.989 142 G CA -0.015 45.164 45.100 0.131 0.000 0.682 142 G HN 0.353 nan 8.290 nan 0.000 0.522 143 Y N -0.122 120.208 120.300 0.050 0.000 2.426 143 Y HA 0.494 5.044 4.550 0.000 0.000 0.344 143 Y C 1.667 177.578 175.900 0.018 0.000 1.256 143 Y CA -0.300 57.824 58.100 0.039 0.000 1.451 143 Y CB 0.446 38.944 38.460 0.063 0.000 1.342 143 Y HN 0.160 nan 8.280 nan 0.000 0.600 144 I N 2.601 123.249 120.570 0.129 0.000 2.440 144 I HA 0.300 4.470 4.170 0.000 0.000 0.294 144 I C -0.112 176.051 176.117 0.076 0.000 0.995 144 I CA -0.918 60.429 61.300 0.078 0.000 1.306 144 I CB 1.466 39.485 38.000 0.031 0.000 1.407 144 I HN 0.376 nan 8.210 nan 0.000 0.501 145 R N 4.484 125.022 120.500 0.063 0.000 2.387 145 R HA 0.601 4.941 4.340 0.000 0.000 0.314 145 R C -1.593 174.735 176.300 0.048 0.000 0.958 145 R CA -0.523 55.601 56.100 0.040 0.000 0.846 145 R CB 1.377 31.728 30.300 0.085 0.000 1.147 145 R HN 0.406 nan 8.270 nan 0.000 0.447 146 V N 5.775 125.670 119.914 -0.033 0.000 2.531 146 V HA 0.514 4.634 4.120 0.000 0.000 0.301 146 V C -1.052 174.975 176.094 -0.111 0.000 1.034 146 V CA -0.587 61.706 62.300 -0.011 0.000 0.865 146 V CB 1.510 33.321 31.823 -0.020 0.000 0.995 146 V HN 0.629 nan 8.190 nan 0.000 0.424 147 F N 3.393 123.352 119.950 0.015 0.000 2.460 147 F HA 0.533 5.060 4.527 0.000 0.000 0.341 147 F C 0.179 176.007 175.800 0.047 0.000 1.130 147 F CA -0.196 57.825 58.000 0.035 0.000 0.962 147 F CB 1.810 40.835 39.000 0.041 0.000 1.171 147 F HN 0.393 nan 8.300 nan 0.000 0.436 148 Q N 3.355 123.270 119.800 0.191 0.000 2.337 148 Q HA 0.229 4.569 4.340 0.000 0.000 0.266 148 Q C -1.284 174.825 176.000 0.180 0.000 1.023 148 Q CA -0.939 54.954 55.803 0.150 0.000 0.829 148 Q CB 1.610 30.385 28.738 0.061 0.000 1.306 148 Q HN 0.490 nan 8.270 nan 0.000 0.449 149 D N 4.092 124.614 120.400 0.202 0.000 2.343 149 D HA 0.151 4.791 4.640 0.000 0.000 0.255 149 D C 0.398 176.772 176.300 0.124 0.000 1.187 149 D CA 0.043 54.137 54.000 0.156 0.000 0.875 149 D CB 0.472 41.379 40.800 0.177 0.000 1.136 149 D HN 0.516 nan 8.370 nan 0.000 0.469 150 I N -0.402 120.229 120.570 0.102 0.000 2.938 150 I HA 0.152 4.322 4.170 0.000 0.000 0.285 150 I C 0.875 177.073 176.117 0.135 0.000 1.182 150 I CA -0.775 60.607 61.300 0.136 0.000 1.388 150 I CB 0.627 38.741 38.000 0.190 0.000 1.390 150 I HN 0.182 nan 8.210 nan 0.000 0.600 151 R N 3.464 124.063 120.500 0.165 0.000 2.486 151 R HA 0.140 4.480 4.340 0.000 0.000 0.303 151 R C 0.992 177.412 176.300 0.201 0.000 0.958 151 R CA 1.262 57.457 56.100 0.158 0.000 1.077 151 R CB -0.368 30.025 30.300 0.155 0.000 0.921 151 R HN 1.159 nan 8.270 nan 0.000 0.406 152 G N 3.224 112.106 108.800 0.137 0.000 2.254 152 G HA2 -0.204 3.756 3.960 0.000 0.000 0.225 152 G HA3 -0.204 3.756 3.960 0.000 0.000 0.225 152 G C -0.344 174.545 174.900 -0.018 0.000 1.003 152 G CA -0.064 45.120 45.100 0.139 0.000 0.622 152 G HN 0.526 nan 8.290 nan 0.000 0.507 153 K N 0.171 120.514 120.400 -0.094 0.000 2.182 153 K HA 0.669 4.989 4.320 0.000 0.000 0.262 153 K C 0.893 177.484 176.600 -0.015 0.000 0.957 153 K CA -0.713 55.450 56.287 -0.206 0.000 0.842 153 K CB 1.249 33.558 32.500 -0.320 0.000 1.099 153 K HN 0.294 nan 8.250 nan 0.000 0.438 154 Y N 0.388 120.590 120.300 -0.163 0.000 2.817 154 Y HA -0.469 4.081 4.550 0.000 0.000 0.471 154 Y C 1.847 177.656 175.900 -0.151 0.000 1.142 154 Y CA 2.106 60.112 58.100 -0.157 0.000 2.725 154 Y CB -1.536 36.814 38.460 -0.182 0.000 1.169 154 Y HN 0.778 nan 8.280 nan 0.000 0.619 155 G N -0.334 108.458 108.800 -0.013 0.000 2.448 155 G HA2 0.066 4.026 3.960 0.000 0.000 0.218 155 G HA3 0.066 4.026 3.960 0.000 0.000 0.218 155 G C 0.587 175.538 174.900 0.085 0.000 1.135 155 G CA 0.875 45.912 45.100 -0.105 0.000 0.784 155 G HN 0.348 nan 8.290 nan 0.000 0.543 156 S N 0.144 115.909 115.700 0.109 0.000 2.600 156 S HA 0.355 4.825 4.470 0.000 0.000 0.265 156 S C 0.365 175.005 174.600 0.066 0.000 1.325 156 S CA -0.379 57.885 58.200 0.107 0.000 1.002 156 S CB 1.159 64.424 63.200 0.108 0.000 0.921 156 S HN 0.463 nan 8.310 nan 0.000 0.554 157 Q N -0.003 119.835 119.800 0.062 0.000 2.199 157 Q HA 0.665 5.005 4.340 0.000 0.000 0.205 157 Q C 0.565 176.602 176.000 0.061 0.000 1.001 157 Q CA -0.529 55.304 55.803 0.050 0.000 1.019 157 Q CB 0.602 29.366 28.738 0.043 0.000 1.132 157 Q HN 0.955 nan 8.270 nan 0.000 0.530 158 G N 0.557 109.391 108.800 0.057 0.000 2.757 158 G HA2 -0.156 3.804 3.960 0.000 0.000 0.638 158 G HA3 -0.156 3.804 3.960 0.000 0.000 0.638 158 G C -1.430 173.520 174.900 0.083 0.000 1.344 158 G CA -0.698 44.443 45.100 0.068 0.000 0.855 158 G HN 0.566 nan 8.290 nan 0.000 0.537 159 D N -0.373 120.081 120.400 0.090 0.000 2.255 159 D HA 0.445 5.085 4.640 0.000 0.000 0.249 159 D C -0.154 176.245 176.300 0.165 0.000 1.078 159 D CA 0.183 54.245 54.000 0.104 0.000 0.896 159 D CB 1.380 42.223 40.800 0.071 0.000 1.194 159 D HN 0.498 nan 8.370 nan 0.000 0.429 160 Y N 1.324 121.648 120.300 0.039 0.000 2.326 160 Y HA 0.390 4.940 4.550 0.000 0.000 0.337 160 Y C -0.961 174.979 175.900 0.067 0.000 1.023 160 Y CA -0.561 57.569 58.100 0.051 0.000 1.143 160 Y CB 0.887 39.359 38.460 0.020 0.000 1.183 160 Y HN 0.042 nan 8.280 nan 0.000 0.485 161 V N 8.509 128.126 119.914 -0.495 0.000 2.407 161 V HA 0.145 4.265 4.120 0.000 0.000 0.291 161 V C -0.102 175.592 176.094 -0.667 0.000 1.018 161 V CA -1.001 61.036 62.300 -0.439 0.000 0.842 161 V CB 1.204 32.962 31.823 -0.108 0.000 0.996 161 V HN 0.897 nan 8.190 nan 0.000 0.426 162 M N 6.222 125.373 119.600 -0.748 0.000 2.409 162 M HA 0.041 4.521 4.480 0.000 0.000 0.376 162 M C 1.001 177.114 176.300 -0.312 0.000 1.631 162 M CA 1.077 56.009 55.300 -0.614 0.000 0.987 162 M CB -0.827 31.063 32.600 -1.184 0.000 2.090 162 M HN 1.161 nan 8.290 nan 0.000 0.474 163 T N 2.843 117.320 114.554 -0.129 0.000 3.361 163 T HA -0.253 4.097 4.350 0.000 0.000 0.417 163 T C 0.184 174.938 174.700 0.091 0.000 0.769 163 T CA 0.918 62.823 62.100 -0.324 0.000 2.085 163 T CB -1.539 67.034 68.868 -0.492 0.000 1.689 163 T HN 0.950 nan 8.240 nan 0.000 0.639 164 R N 1.818 122.435 120.500 0.195 0.000 2.526 164 R HA 0.091 4.432 4.340 0.000 0.000 0.319 164 R C -2.028 174.403 176.300 0.217 0.000 0.888 164 R CA -0.936 55.269 56.100 0.175 0.000 1.127 164 R CB 0.167 30.577 30.300 0.184 0.000 0.888 164 R HN 0.385 nan 8.270 nan 0.000 0.410 165 P HA 0.077 nan 4.420 nan 0.000 0.269 165 P C -2.407 174.941 177.300 0.080 0.000 1.209 165 P CA -1.038 62.102 63.100 0.067 0.000 0.776 165 P CB 0.311 31.984 31.700 -0.045 0.000 0.876 166 P HA -0.004 nan 4.420 nan 0.000 0.271 166 P C -0.434 176.911 177.300 0.076 0.000 1.233 166 P CA 0.037 63.182 63.100 0.076 0.000 0.789 166 P CB 0.056 31.789 31.700 0.055 0.000 0.951 167 H N 0.178 119.258 119.070 0.015 0.000 3.157 167 H HA 0.375 4.931 4.556 0.000 0.000 0.299 167 H C 0.647 175.974 175.328 -0.002 0.000 0.961 167 H CA 1.884 57.936 56.048 0.006 0.000 1.428 167 H CB -0.776 28.986 29.762 0.000 0.000 1.459 167 H HN 0.638 nan 8.280 nan 0.000 0.566 168 G N 4.162 112.706 108.800 -0.426 0.000 2.360 168 G HA2 -0.006 3.954 3.960 0.000 0.000 0.276 168 G HA3 -0.006 3.954 3.960 0.000 0.000 0.276 168 G C -2.065 172.709 174.900 -0.210 0.000 1.256 168 G CA -0.366 44.507 45.100 -0.378 0.000 0.890 168 G HN 0.396 nan 8.290 nan 0.000 0.486 169 P HA -0.036 nan 4.420 nan 0.000 0.217 169 P C 1.684 178.943 177.300 -0.069 0.000 1.148 169 P CA 1.108 64.151 63.100 -0.095 0.000 0.828 169 P CB 0.199 31.845 31.700 -0.089 0.000 0.783 170 L N -2.348 118.828 121.223 -0.078 0.000 2.529 170 L HA 0.150 4.490 4.340 0.000 0.000 0.223 170 L C 0.771 177.634 176.870 -0.012 0.000 1.113 170 L CA 0.297 55.106 54.840 -0.053 0.000 0.861 170 L CB -0.290 41.699 42.059 -0.117 0.000 1.012 170 L HN -0.025 nan 8.230 nan 0.000 0.461 171 N N -0.072 118.623 118.700 -0.007 0.000 2.675 171 N HA 0.175 4.915 4.740 0.000 0.000 0.254 171 N C -2.159 173.415 175.510 0.107 0.000 1.224 171 N CA -1.277 51.804 53.050 0.052 0.000 0.777 171 N CB 1.375 39.907 38.487 0.075 0.000 1.256 171 N HN -0.236 nan 8.380 nan 0.000 0.531 172 P HA 0.011 nan 4.420 nan 0.000 0.241 172 P C 0.296 177.702 177.300 0.177 0.000 1.191 172 P CA 0.362 63.546 63.100 0.140 0.000 0.771 172 P CB -0.144 31.597 31.700 0.069 0.000 0.929 173 T N -1.550 113.081 114.554 0.130 0.000 2.734 173 T HA 0.106 4.456 4.350 0.000 0.000 0.314 173 T C 0.998 175.707 174.700 0.014 0.000 1.057 173 T CA -0.127 62.014 62.100 0.070 0.000 1.047 173 T CB 0.730 69.633 68.868 0.059 0.000 0.991 173 T HN -0.069 nan 8.240 nan 0.000 0.540 174 K N 0.531 120.907 120.400 -0.040 0.000 2.458 174 K HA 0.155 4.475 4.320 0.000 0.000 0.194 174 K C 0.279 176.820 176.600 -0.098 0.000 1.024 174 K CA 0.055 56.267 56.287 -0.127 0.000 1.108 174 K CB 0.078 32.524 32.500 -0.091 0.000 0.846 174 K HN 0.834 nan 8.250 nan 0.000 0.518 175 T N -0.548 113.989 114.554 -0.028 0.000 2.900 175 T HA 0.465 4.815 4.350 0.000 0.000 0.295 175 T C -0.903 173.829 174.700 0.053 0.000 1.044 175 T CA -1.149 60.958 62.100 0.013 0.000 0.995 175 T CB 2.254 71.146 68.868 0.038 0.000 1.072 175 T HN 0.081 nan 8.240 nan 0.000 0.473 176 D N -0.187 120.256 120.400 0.071 0.000 2.768 176 D HA 0.217 4.857 4.640 0.000 0.000 0.327 176 D C 0.303 176.671 176.300 0.114 0.000 1.302 176 D CA -0.677 53.384 54.000 0.102 0.000 0.897 176 D CB 0.364 41.230 40.800 0.110 0.000 1.420 176 D HN 0.284 nan 8.370 nan 0.000 0.494 177 E N -0.647 119.628 120.200 0.126 0.000 2.472 177 E HA 0.008 4.358 4.350 0.000 0.000 0.200 177 E C 1.038 177.688 176.600 0.084 0.000 1.046 177 E CA 0.822 57.296 56.400 0.123 0.000 0.871 177 E CB -0.138 29.638 29.700 0.127 0.000 0.806 177 E HN 0.532 nan 8.360 nan 0.000 0.533 178 T N -0.252 114.352 114.554 0.083 0.000 2.925 178 T HA -0.086 4.264 4.350 0.000 0.000 0.245 178 T C 2.098 176.889 174.700 0.151 0.000 1.025 178 T CA 1.577 63.735 62.100 0.097 0.000 1.149 178 T CB -0.260 68.654 68.868 0.076 0.000 0.866 178 T HN 0.376 nan 8.240 nan 0.000 0.437 179 T N 1.202 115.825 114.554 0.115 0.000 2.708 179 T HA -0.180 4.170 4.350 0.000 0.000 0.266 179 T C 1.592 176.421 174.700 0.215 0.000 1.037 179 T CA 1.606 63.787 62.100 0.134 0.000 1.146 179 T CB -0.723 68.168 68.868 0.037 0.000 0.865 179 T HN 0.088 nan 8.240 nan 0.000 0.435 180 D N 1.953 122.447 120.400 0.157 0.000 2.123 180 D HA 0.016 4.656 4.640 0.000 0.000 0.196 180 D C 2.470 178.860 176.300 0.149 0.000 0.992 180 D CA 1.579 55.666 54.000 0.145 0.000 0.833 180 D CB -0.735 40.140 40.800 0.125 0.000 0.954 180 D HN 0.608 nan 8.370 nan 0.000 0.455 181 A N -0.331 122.580 122.820 0.153 0.000 1.898 181 A HA -0.145 4.175 4.320 0.000 0.000 0.216 181 A C 2.191 179.863 177.584 0.146 0.000 1.181 181 A CA 1.345 53.455 52.037 0.121 0.000 0.620 181 A CB -1.249 17.815 19.000 0.106 0.000 0.819 181 A HN 0.425 nan 8.150 nan 0.000 0.442 182 W N 1.317 122.648 121.300 0.053 0.000 2.355 182 W HA -0.192 4.468 4.660 0.000 0.000 0.309 182 W C 1.517 178.089 176.519 0.088 0.000 1.206 182 W CA 1.972 59.374 57.345 0.095 0.000 1.284 182 W CB -0.001 29.520 29.460 0.102 0.000 1.145 182 W HN 0.392 nan 8.180 nan 0.000 0.502 183 D N -0.695 119.973 120.400 0.446 0.000 2.097 183 D HA -0.195 4.445 4.640 0.000 0.000 0.195 183 D C 2.119 178.457 176.300 0.064 0.000 0.989 183 D CA 2.355 56.536 54.000 0.301 0.000 0.827 183 D CB -1.072 39.896 40.800 0.280 0.000 0.966 183 D HN 0.124 nan 8.370 nan 0.000 0.456 184 T N 1.004 115.583 114.554 0.041 0.000 2.665 184 T HA -0.125 4.225 4.350 0.000 0.000 0.268 184 T C 2.267 176.920 174.700 -0.077 0.000 1.035 184 T CA 1.248 63.348 62.100 -0.001 0.000 1.151 184 T CB -0.404 68.459 68.868 -0.009 0.000 0.862 184 T HN -0.027 nan 8.240 nan 0.000 0.438 185 V N 1.588 121.363 119.914 -0.232 0.000 2.332 185 V HA -0.200 3.920 4.120 0.000 0.000 0.248 185 V C 2.321 177.981 176.094 -0.724 0.000 1.055 185 V CA 2.072 64.106 62.300 -0.444 0.000 1.038 185 V CB -0.695 30.800 31.823 -0.547 0.000 0.651 185 V HN 0.482 nan 8.190 nan 0.000 0.450 186 D N -1.293 118.578 120.400 -0.881 0.000 2.117 186 D HA -0.248 4.392 4.640 0.000 0.000 0.197 186 D C 1.875 177.890 176.300 -0.474 0.000 0.987 186 D CA 1.543 55.036 54.000 -0.845 0.000 0.829 186 D CB -0.217 40.247 40.800 -0.561 0.000 0.961 186 D HN 0.562 nan 8.370 nan 0.000 0.460 187 W N 0.523 121.624 121.300 -0.331 0.000 2.381 187 W HA -0.035 4.625 4.660 0.000 0.000 0.301 187 W C 1.897 178.309 176.519 -0.179 0.000 1.205 187 W CA 0.961 58.203 57.345 -0.172 0.000 1.285 187 W CB -0.219 29.189 29.460 -0.087 0.000 1.133 187 W HN -0.008 nan 8.180 nan 0.000 0.521 188 L N 0.419 121.712 121.223 0.117 0.000 2.131 188 L HA -0.207 4.133 4.340 0.000 0.000 0.210 188 L C 2.300 179.058 176.870 -0.187 0.000 1.092 188 L CA 1.458 56.320 54.840 0.037 0.000 0.759 188 L CB -0.936 41.142 42.059 0.032 0.000 0.903 188 L HN 0.073 nan 8.230 nan 0.000 0.435 189 V N -5.077 114.651 119.914 -0.310 0.000 3.306 189 V HA -0.122 3.998 4.120 0.000 0.000 0.264 189 V C 1.343 177.356 176.094 -0.134 0.000 1.149 189 V CA 0.997 63.140 62.300 -0.262 0.000 1.143 189 V CB -0.843 30.787 31.823 -0.321 0.000 0.767 189 V HN 0.497 nan 8.190 nan 0.000 0.476 190 H N 0.241 119.127 119.070 -0.307 0.000 2.592 190 H HA 0.406 4.962 4.556 0.000 0.000 0.279 190 H C 0.472 175.509 175.328 -0.485 0.000 1.089 190 H CA 0.093 55.945 56.048 -0.326 0.000 1.150 190 H CB 0.449 30.045 29.762 -0.277 0.000 1.575 190 H HN 0.410 nan 8.280 nan 0.000 0.547 191 N N 0.556 118.946 118.700 -0.516 0.000 2.142 191 N HA 0.084 4.824 4.740 0.000 0.000 0.233 191 N C -0.885 174.383 175.510 -0.403 0.000 1.335 191 N CA 0.285 52.915 53.050 -0.699 0.000 0.837 191 N CB 2.536 39.981 38.487 -1.736 0.000 1.238 191 N HN -0.061 nan 8.380 nan 0.000 0.501 192 V N 2.470 122.241 119.914 -0.238 0.000 2.320 192 V HA 0.262 4.382 4.120 0.000 0.000 0.268 192 V C -1.788 174.253 176.094 -0.089 0.000 1.021 192 V CA -1.117 61.115 62.300 -0.112 0.000 0.813 192 V CB 1.986 33.775 31.823 -0.056 0.000 1.054 192 V HN -0.149 nan 8.190 nan 0.000 0.444 193 P HA -0.117 nan 4.420 nan 0.000 0.218 193 P C 1.195 178.465 177.300 -0.049 0.000 1.148 193 P CA 1.094 64.156 63.100 -0.064 0.000 0.822 193 P CB 0.435 32.103 31.700 -0.055 0.000 0.784 194 E N -0.327 119.850 120.200 -0.038 0.000 2.347 194 E HA -0.048 4.302 4.350 0.000 0.000 0.196 194 E C 1.084 177.659 176.600 -0.041 0.000 1.008 194 E CA 0.436 56.818 56.400 -0.030 0.000 0.852 194 E CB -0.496 29.196 29.700 -0.013 0.000 0.783 194 E HN 0.303 nan 8.360 nan 0.000 0.505 195 S N 1.131 116.801 115.700 -0.050 0.000 2.669 195 S HA 0.132 4.602 4.470 0.000 0.000 0.270 195 S C 0.728 175.285 174.600 -0.070 0.000 1.225 195 S CA -0.566 57.596 58.200 -0.064 0.000 0.991 195 S CB 0.785 63.946 63.200 -0.066 0.000 0.987 195 S HN 0.201 nan 8.310 nan 0.000 0.552 196 N N -0.280 118.370 118.700 -0.083 0.000 2.273 196 N HA 0.216 4.956 4.740 0.000 0.000 0.231 196 N C 1.090 176.557 175.510 -0.072 0.000 1.134 196 N CA 0.270 53.273 53.050 -0.078 0.000 0.856 196 N CB -0.329 38.104 38.487 -0.090 0.000 1.068 196 N HN 1.312 nan 8.380 nan 0.000 0.510 197 G N 0.537 109.291 108.800 -0.076 0.000 2.189 197 G HA2 -0.322 3.638 3.960 0.000 0.000 0.267 197 G HA3 -0.322 3.638 3.960 0.000 0.000 0.267 197 G C -0.204 174.644 174.900 -0.086 0.000 0.975 197 G CA 0.128 45.183 45.100 -0.075 0.000 0.644 197 G HN 0.482 nan 8.290 nan 0.000 0.537 198 R N -0.377 120.068 120.500 -0.092 0.000 2.407 198 R HA 0.635 4.975 4.340 0.000 0.000 0.303 198 R C -0.722 175.517 176.300 -0.103 0.000 0.981 198 R CA -0.621 55.423 56.100 -0.093 0.000 0.905 198 R CB 2.391 32.636 30.300 -0.091 0.000 1.099 198 R HN 0.100 nan 8.270 nan 0.000 0.459 199 V N 1.259 121.108 119.914 -0.109 0.000 2.656 199 V HA 0.594 4.714 4.120 0.000 0.000 0.307 199 V C 0.175 176.201 176.094 -0.113 0.000 1.051 199 V CA -0.756 61.481 62.300 -0.105 0.000 0.893 199 V CB 2.230 33.972 31.823 -0.134 0.000 0.999 199 V HN 0.970 nan 8.190 nan 0.000 0.426 200 G N 3.665 112.424 108.800 -0.067 0.000 2.448 200 G HA2 0.737 4.697 3.960 0.000 0.000 0.324 200 G HA3 0.737 4.697 3.960 0.000 0.000 0.324 200 G C -1.035 173.896 174.900 0.053 0.000 1.203 200 G CA -0.662 44.393 45.100 -0.075 0.000 0.954 200 G HN 0.502 nan 8.290 nan 0.000 0.480 201 M N 1.109 120.769 119.600 0.101 0.000 2.456 201 M HA 0.586 5.066 4.480 0.000 0.000 0.324 201 M C -0.352 176.059 176.300 0.185 0.000 1.124 201 M CA -0.549 54.802 55.300 0.085 0.000 0.959 201 M CB 2.667 35.278 32.600 0.018 0.000 1.692 201 M HN 0.628 nan 8.290 nan 0.000 0.444 202 T N 1.056 115.650 114.554 0.067 0.000 2.739 202 T HA 0.866 5.216 4.350 0.000 0.000 0.303 202 T C -1.302 173.424 174.700 0.043 0.000 1.389 202 T CA 0.143 62.291 62.100 0.080 0.000 1.001 202 T CB 2.113 71.037 68.868 0.094 0.000 1.436 202 T HN 1.044 nan 8.240 nan 0.000 0.500 203 G N 0.785 109.641 108.800 0.092 0.000 2.337 203 G HA2 0.415 4.375 3.960 0.000 0.000 0.310 203 G HA3 0.415 4.375 3.960 0.000 0.000 0.310 203 G C -1.308 173.697 174.900 0.175 0.000 1.534 203 G CA 0.029 45.212 45.100 0.139 0.000 0.982 203 G HN 0.790 nan 8.290 nan 0.000 0.672 204 S N -0.166 115.662 115.700 0.214 0.000 2.537 204 S HA 0.861 5.331 4.470 0.000 0.000 0.301 204 S C 0.949 175.752 174.600 0.339 0.000 1.092 204 S CA 1.161 59.486 58.200 0.207 0.000 1.048 204 S CB 1.391 64.642 63.200 0.085 0.000 1.053 204 S HN 2.223 nan 8.310 nan 0.000 0.501 205 S N 1.800 117.739 115.700 0.399 0.000 4.118 205 S HA -0.302 4.169 4.470 0.000 0.000 0.624 205 S C 0.788 175.676 174.600 0.480 0.000 1.929 205 S CA 1.330 59.833 58.200 0.504 0.000 4.219 205 S CB -1.793 61.788 63.200 0.634 0.000 0.206 205 S HN 0.942 nan 8.310 nan 0.000 0.525 206 Y N 2.496 123.043 120.300 0.412 0.000 2.274 206 Y HA -0.092 4.458 4.550 0.000 0.000 0.290 206 Y C 2.385 178.537 175.900 0.419 0.000 1.145 206 Y CA 2.134 60.452 58.100 0.363 0.000 1.203 206 Y CB -0.092 38.518 38.460 0.250 0.000 0.984 206 Y HN 0.536 nan 8.280 nan 0.000 0.533 207 E N -1.220 119.336 120.200 0.594 0.000 2.418 207 E HA -0.090 4.260 4.350 0.000 0.000 0.197 207 E C 2.001 178.801 176.600 0.333 0.000 1.026 207 E CA 0.640 57.298 56.400 0.431 0.000 0.862 207 E CB -0.043 29.895 29.700 0.396 0.000 0.799 207 E HN 0.590 nan 8.360 nan 0.000 0.518 208 G N 0.679 109.694 108.800 0.359 0.000 2.709 208 G HA2 -0.131 3.829 3.960 0.000 0.000 0.208 208 G HA3 -0.131 3.829 3.960 0.000 0.000 0.208 208 G C 1.211 176.285 174.900 0.289 0.000 1.129 208 G CA -0.293 44.970 45.100 0.272 0.000 0.793 208 G HN 0.280 nan 8.290 nan 0.000 0.524 209 F N 3.281 123.349 119.950 0.196 0.000 2.216 209 F HA -0.116 4.411 4.527 0.000 0.000 0.300 209 F C 2.603 178.493 175.800 0.149 0.000 1.085 209 F CA 2.174 60.258 58.000 0.140 0.000 1.326 209 F CB -0.266 38.728 39.000 -0.011 0.000 1.027 209 F HN 0.141 nan 8.300 nan 0.000 0.497 210 T N -2.120 112.480 114.554 0.077 0.000 2.942 210 T HA -0.062 4.288 4.350 0.000 0.000 0.265 210 T C 1.908 176.588 174.700 -0.034 0.000 1.062 210 T CA 1.142 63.223 62.100 -0.031 0.000 1.139 210 T CB -1.078 67.916 68.868 0.210 0.000 0.883 210 T HN 0.180 nan 8.240 nan 0.000 0.468 211 V N 1.493 121.424 119.914 0.028 0.000 2.515 211 V HA -0.097 4.023 4.120 0.000 0.000 0.250 211 V C 2.847 178.931 176.094 -0.016 0.000 1.058 211 V CA 1.039 63.344 62.300 0.007 0.000 1.064 211 V CB -0.755 31.073 31.823 0.010 0.000 0.675 211 V HN 0.374 nan 8.190 nan 0.000 0.461 212 V N -0.808 119.107 119.914 0.002 0.000 2.323 212 V HA -0.218 3.902 4.120 0.000 0.000 0.244 212 V C 2.523 178.613 176.094 -0.007 0.000 1.041 212 V CA 1.653 63.996 62.300 0.073 0.000 1.025 212 V CB -0.586 31.354 31.823 0.196 0.000 0.656 212 V HN 0.374 nan 8.190 nan 0.000 0.451 213 M N 0.098 119.594 119.600 -0.173 0.000 2.202 213 M HA -0.162 4.318 4.480 0.000 0.000 0.262 213 M C 2.325 178.603 176.300 -0.036 0.000 1.063 213 M CA 2.176 57.373 55.300 -0.172 0.000 1.097 213 M CB -1.373 31.012 32.600 -0.359 0.000 1.382 213 M HN 0.439 nan 8.290 nan 0.000 0.413 214 A N -0.180 122.631 122.820 -0.014 0.000 1.929 214 A HA -0.063 4.257 4.320 0.000 0.000 0.216 214 A C 2.226 179.849 177.584 0.064 0.000 1.176 214 A CA 0.930 52.994 52.037 0.045 0.000 0.628 214 A CB -0.791 18.231 19.000 0.037 0.000 0.816 214 A HN 0.453 nan 8.150 nan 0.000 0.444 215 L N -0.204 121.048 121.223 0.050 0.000 2.353 215 L HA -0.139 4.201 4.340 0.000 0.000 0.220 215 L C 2.278 179.203 176.870 0.090 0.000 1.133 215 L CA 0.405 55.286 54.840 0.069 0.000 0.798 215 L CB -0.365 41.741 42.059 0.080 0.000 0.922 215 L HN 0.407 nan 8.230 nan 0.000 0.445 216 L N -0.908 120.365 121.223 0.083 0.000 2.046 216 L HA -0.143 4.197 4.340 0.000 0.000 0.208 216 L C 0.593 177.510 176.870 0.078 0.000 1.077 216 L CA 1.118 56.006 54.840 0.080 0.000 0.747 216 L CB -0.095 42.003 42.059 0.065 0.000 0.896 216 L HN 0.213 nan 8.230 nan 0.000 0.432 217 D N -0.871 119.584 120.400 0.091 0.000 2.668 217 D HA 0.197 4.837 4.640 0.000 0.000 0.247 217 D C -2.504 173.918 176.300 0.203 0.000 1.268 217 D CA -1.391 52.671 54.000 0.103 0.000 0.842 217 D CB 1.139 41.966 40.800 0.046 0.000 1.399 217 D HN -0.096 nan 8.370 nan 0.000 0.530 218 P HA 0.137 nan 4.420 nan 0.000 0.276 218 P C -0.216 177.311 177.300 0.379 0.000 1.252 218 P CA -0.338 62.910 63.100 0.247 0.000 0.802 218 P CB 0.968 32.739 31.700 0.117 0.000 1.035 219 H N 1.738 120.863 119.070 0.093 0.000 2.548 219 H HA 0.168 4.724 4.556 0.000 0.000 0.331 219 H C -1.589 173.673 175.328 -0.111 0.000 1.093 219 H CA -1.830 54.085 56.048 -0.222 0.000 1.367 219 H CB 0.943 30.179 29.762 -0.876 0.000 1.455 219 H HN 0.115 nan 8.280 nan 0.000 0.519 220 P HA -0.250 nan 4.420 nan 0.000 0.220 220 P C 1.147 178.484 177.300 0.060 0.000 1.155 220 P CA 2.563 65.627 63.100 -0.060 0.000 0.880 220 P CB -0.070 31.533 31.700 -0.162 0.000 0.790 221 A N -0.969 122.015 122.820 0.275 0.000 1.940 221 A HA -0.139 4.181 4.320 0.000 0.000 0.219 221 A C 1.198 178.764 177.584 -0.031 0.000 1.176 221 A CA 0.685 52.761 52.037 0.066 0.000 0.631 221 A CB -1.415 17.524 19.000 -0.101 0.000 0.814 221 A HN 0.184 nan 8.150 nan 0.000 0.446 222 L N 0.996 122.205 121.223 -0.024 0.000 2.678 222 L HA 0.069 4.409 4.340 0.000 0.000 0.276 222 L C 0.866 177.676 176.870 -0.100 0.000 1.142 222 L CA 0.421 55.216 54.840 -0.075 0.000 0.961 222 L CB -0.146 41.887 42.059 -0.045 0.000 1.291 222 L HN 0.161 nan 8.230 nan 0.000 0.476 223 K N 3.463 123.773 120.400 -0.150 0.000 2.284 223 K HA 0.239 4.559 4.320 0.000 0.000 0.198 223 K C -0.058 176.326 176.600 -0.360 0.000 1.048 223 K CA 0.357 56.535 56.287 -0.183 0.000 0.987 223 K CB 0.594 33.029 32.500 -0.108 0.000 0.800 223 K HN 0.387 nan 8.250 nan 0.000 0.486 224 V N 0.105 119.756 119.914 -0.439 0.000 2.891 224 V HA 0.645 4.765 4.120 0.000 0.000 0.304 224 V C -1.964 173.840 176.094 -0.484 0.000 1.171 224 V CA -0.817 61.103 62.300 -0.633 0.000 0.943 224 V CB 2.009 33.222 31.823 -1.016 0.000 1.037 224 V HN 0.185 nan 8.190 nan 0.000 0.427 225 A N 4.695 127.388 122.820 -0.212 0.000 2.401 225 A HA 1.033 5.353 4.320 0.000 0.000 0.310 225 A C -0.363 177.321 177.584 0.168 0.000 1.075 225 A CA -0.169 51.871 52.037 0.005 0.000 0.746 225 A CB 2.065 21.014 19.000 -0.085 0.000 1.277 225 A HN 2.215 nan 8.150 nan 0.000 0.425 226 A N 2.742 125.699 122.820 0.227 0.000 2.876 226 A HA 0.698 5.018 4.320 0.000 0.000 0.309 226 A C -3.174 174.351 177.584 -0.098 0.000 1.168 226 A CA -1.269 50.799 52.037 0.052 0.000 0.762 226 A CB 0.605 19.682 19.000 0.128 0.000 1.262 226 A HN 0.438 nan 8.150 nan 0.000 0.435 227 P HA 0.368 nan 4.420 nan 0.000 0.281 227 P C -0.613 176.693 177.300 0.010 0.000 1.252 227 P CA 0.257 63.287 63.100 -0.116 0.000 0.778 227 P CB 0.836 32.384 31.700 -0.252 0.000 0.895 228 E N 1.320 121.568 120.200 0.081 0.000 2.158 228 E HA 0.306 4.656 4.350 0.000 0.000 0.271 228 E C -0.233 176.474 176.600 0.178 0.000 0.911 228 E CA -0.833 55.621 56.400 0.090 0.000 0.767 228 E CB 0.778 30.502 29.700 0.041 0.000 1.120 228 E HN 0.193 nan 8.360 nan 0.000 0.405 229 S N 2.720 118.545 115.700 0.209 0.000 3.317 229 S HA -0.126 4.344 4.470 0.000 0.000 0.358 229 S C -2.148 172.668 174.600 0.359 0.000 0.945 229 S CA 0.095 58.471 58.200 0.294 0.000 1.279 229 S CB -1.243 62.129 63.200 0.288 0.000 0.905 229 S HN 0.456 nan 8.310 nan 0.000 0.507 230 P HA 0.216 nan 4.420 nan 0.000 0.277 230 P C -0.146 177.352 177.300 0.330 0.000 1.240 230 P CA -0.556 62.767 63.100 0.370 0.000 0.798 230 P CB 0.557 32.515 31.700 0.430 0.000 0.979 231 M N 2.589 122.378 119.600 0.315 0.000 2.557 231 M HA 0.068 4.548 4.480 0.000 0.000 0.328 231 M C 0.928 177.414 176.300 0.310 0.000 1.423 231 M CA -0.262 55.152 55.300 0.190 0.000 1.418 231 M CB 0.129 32.717 32.600 -0.020 0.000 1.381 231 M HN 0.121 nan 8.290 nan 0.000 0.467 232 V N 0.351 120.434 119.914 0.281 0.000 2.398 232 V HA 0.028 4.148 4.120 0.000 0.000 0.236 232 V C 0.751 177.006 176.094 0.267 0.000 1.054 232 V CA 1.095 63.580 62.300 0.308 0.000 1.060 232 V CB 0.134 32.144 31.823 0.311 0.000 0.707 232 V HN 0.643 nan 8.190 nan 0.000 0.480 233 D N 0.305 120.823 120.400 0.197 0.000 2.485 233 D HA 0.267 4.907 4.640 0.000 0.000 0.256 233 D C 1.181 177.471 176.300 -0.017 0.000 1.141 233 D CA 0.300 54.349 54.000 0.081 0.000 0.942 233 D CB 1.027 41.731 40.800 -0.161 0.000 1.003 233 D HN 0.275 nan 8.370 nan 0.000 0.507 234 G N 1.572 110.472 108.800 0.166 0.000 2.564 234 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 234 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 234 G C 1.073 176.058 174.900 0.140 0.000 1.124 234 G CA 0.277 45.435 45.100 0.098 0.000 0.764 234 G HN 0.527 nan 8.290 nan 0.000 0.550 235 W N -0.480 120.729 121.300 -0.151 0.000 2.780 235 W HA 0.261 4.921 4.660 0.000 0.000 0.272 235 W C 2.386 178.526 176.519 -0.633 0.000 1.116 235 W CA 0.087 57.222 57.345 -0.349 0.000 1.600 235 W CB 0.149 29.335 29.460 -0.457 0.000 1.086 235 W HN -0.024 nan 8.180 nan 0.000 0.584 236 M N 0.242 119.503 119.600 -0.563 0.000 2.082 236 M HA 0.009 4.489 4.480 0.000 0.000 0.258 236 M C 1.496 176.845 176.300 -1.585 0.000 1.069 236 M CA 2.117 56.619 55.300 -1.330 0.000 1.102 236 M CB -1.581 29.824 32.600 -1.992 0.000 1.336 236 M HN 0.310 nan 8.290 nan 0.000 0.404 237 G N -1.593 106.432 108.800 -1.292 0.000 5.181 237 G HA2 0.093 4.053 3.960 0.000 0.000 0.208 237 G HA3 0.093 4.053 3.960 0.000 0.000 0.208 237 G C -0.069 174.482 174.900 -0.582 0.000 0.786 237 G CA -0.354 44.127 45.100 -1.031 0.000 0.803 237 G HN 0.207 nan 8.290 nan 0.000 0.404 238 D N 0.115 120.321 120.400 -0.323 0.000 2.825 238 D HA 0.154 4.794 4.640 0.000 0.000 0.249 238 D C 1.048 177.272 176.300 -0.126 0.000 1.286 238 D CA 0.026 53.955 54.000 -0.118 0.000 1.168 238 D CB 0.673 41.415 40.800 -0.097 0.000 0.926 238 D HN -0.080 nan 8.370 nan 0.000 0.216 239 D N -0.955 119.203 120.400 -0.404 0.000 2.259 239 D HA 0.029 4.669 4.640 0.000 0.000 0.216 239 D C 2.249 178.193 176.300 -0.593 0.000 0.961 239 D CA 0.457 54.069 54.000 -0.648 0.000 0.878 239 D CB 0.162 40.294 40.800 -1.114 0.000 1.009 239 D HN 0.330 nan 8.370 nan 0.000 0.490 240 W N -0.085 121.128 121.300 -0.145 0.000 2.488 240 W HA 0.116 4.776 4.660 0.000 0.000 0.304 240 W C 0.621 176.762 176.519 -0.630 0.000 1.175 240 W CA -0.308 56.841 57.345 -0.328 0.000 1.365 240 W CB -0.144 29.265 29.460 -0.084 0.000 1.131 240 W HN -0.227 nan 8.180 nan 0.000 0.520 241 F N -1.358 118.555 119.950 -0.062 0.000 2.611 241 F HA 0.436 4.963 4.527 0.000 0.000 0.324 241 F C -0.142 175.521 175.800 -0.228 0.000 1.061 241 F CA -1.194 56.646 58.000 -0.267 0.000 0.954 241 F CB 1.279 39.759 39.000 -0.867 0.000 1.301 241 F HN -0.277 nan 8.300 nan 0.000 0.482 242 H N 1.608 120.564 119.070 -0.190 0.000 3.036 242 H HA 0.182 4.738 4.556 0.000 0.000 0.295 242 H C -1.164 173.915 175.328 -0.414 0.000 1.124 242 H CA -0.694 55.185 56.048 -0.283 0.000 1.507 242 H CB 0.692 30.476 29.762 0.036 0.000 1.591 242 H HN 0.676 nan 8.280 nan 0.000 0.510 243 Y N 1.621 121.520 120.300 -0.669 0.000 3.589 243 Y HA -0.294 4.256 4.550 0.000 0.000 0.218 243 Y C 1.526 176.837 175.900 -0.981 0.000 1.234 243 Y CA 1.573 59.179 58.100 -0.823 0.000 1.576 243 Y CB -1.688 36.396 38.460 -0.626 0.000 1.487 243 Y HN 1.085 nan 8.280 nan 0.000 0.616 244 G N -2.072 105.854 108.800 -1.456 0.000 2.217 244 G HA2 -0.009 3.951 3.960 0.000 0.000 0.246 244 G HA3 -0.009 3.951 3.960 0.000 0.000 0.246 244 G C 0.368 175.087 174.900 -0.302 0.000 0.990 244 G CA -0.052 44.270 45.100 -1.295 0.000 0.627 244 G HN 1.580 nan 8.290 nan 0.000 0.522 245 A N 0.481 123.232 122.820 -0.115 0.000 2.354 245 A HA 0.653 4.973 4.320 0.000 0.000 0.281 245 A C -0.080 177.732 177.584 0.379 0.000 1.174 245 A CA -0.339 51.782 52.037 0.140 0.000 0.828 245 A CB 0.244 19.222 19.000 -0.037 0.000 1.099 245 A HN 1.275 nan 8.150 nan 0.000 0.516 246 F N 2.741 122.839 119.950 0.247 0.000 2.484 246 F HA 0.378 4.905 4.527 0.000 0.000 0.360 246 F C 0.720 176.434 175.800 -0.144 0.000 1.101 246 F CA -0.220 57.751 58.000 -0.048 0.000 1.251 246 F CB 0.676 39.754 39.000 0.131 0.000 1.132 246 F HN 0.563 nan 8.300 nan 0.000 0.570 247 R N 5.700 125.421 120.500 -1.298 0.000 2.233 247 R HA 0.147 4.487 4.340 0.000 0.000 0.334 247 R C 0.889 176.032 176.300 -1.928 0.000 1.037 247 R CA -0.270 54.998 56.100 -1.386 0.000 0.920 247 R CB 0.679 30.358 30.300 -1.034 0.000 1.137 247 R HN 0.779 nan 8.270 nan 0.000 0.492 248 Q N 1.075 119.917 119.800 -1.597 0.000 2.443 248 Q HA -0.122 4.218 4.340 0.000 0.000 0.213 248 Q C 1.808 176.799 176.000 -1.682 0.000 0.982 248 Q CA 1.235 56.136 55.803 -1.504 0.000 0.894 248 Q CB 0.152 28.150 28.738 -1.234 0.000 0.947 248 Q HN 0.869 nan 8.270 nan 0.000 0.480 249 G N 0.449 108.085 108.800 -1.939 0.000 2.509 249 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 249 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 249 G C 1.373 175.572 174.900 -1.170 0.000 1.124 249 G CA 0.648 44.500 45.100 -2.079 0.000 0.776 249 G HN 0.410 nan 8.290 nan 0.000 0.547 250 A N 0.900 123.066 122.820 -1.090 0.000 1.898 250 A HA 0.114 4.434 4.320 0.000 0.000 0.216 250 A C 2.035 179.048 177.584 -0.952 0.000 1.181 250 A CA 1.195 52.716 52.037 -0.860 0.000 0.620 250 A CB -0.522 18.007 19.000 -0.785 0.000 0.819 250 A HN 0.231 nan 8.150 nan 0.000 0.442 251 F N 0.940 120.468 119.950 -0.703 0.000 2.115 251 F HA -0.237 4.290 4.527 0.000 0.000 0.300 251 F C 2.200 177.864 175.800 -0.225 0.000 1.092 251 F CA 1.393 59.139 58.000 -0.423 0.000 1.245 251 F CB -0.951 37.965 39.000 -0.139 0.000 0.995 251 F HN 0.249 nan 8.300 nan 0.000 0.481 252 D N -1.225 119.154 120.400 -0.035 0.000 2.078 252 D HA -0.241 4.399 4.640 0.000 0.000 0.193 252 D C 2.199 178.525 176.300 0.044 0.000 0.990 252 D CA 1.318 55.316 54.000 -0.002 0.000 0.827 252 D CB -0.851 39.909 40.800 -0.066 0.000 0.975 252 D HN 0.334 nan 8.370 nan 0.000 0.451 253 Y N 0.776 121.018 120.300 -0.097 0.000 2.193 253 Y HA -0.273 4.277 4.550 0.000 0.000 0.285 253 Y C 2.234 178.308 175.900 0.291 0.000 1.166 253 Y CA 1.571 59.717 58.100 0.076 0.000 1.181 253 Y CB -0.540 37.972 38.460 0.088 0.000 0.976 253 Y HN -0.023 nan 8.280 nan 0.000 0.520 254 F N -1.505 118.605 119.950 0.268 0.000 2.026 254 F HA -0.301 4.226 4.527 0.000 0.000 0.296 254 F C 2.331 178.130 175.800 -0.002 0.000 1.133 254 F CA 1.076 59.186 58.000 0.184 0.000 1.188 254 F CB -0.769 38.328 39.000 0.161 0.000 0.968 254 F HN -0.187 nan 8.300 nan 0.000 0.476 255 V N -0.871 119.086 119.914 0.071 0.000 2.720 255 V HA -0.271 3.849 4.120 0.000 0.000 0.256 255 V C 2.264 178.384 176.094 0.044 0.000 1.082 255 V CA 1.819 64.079 62.300 -0.066 0.000 1.101 255 V CB -0.414 31.332 31.823 -0.129 0.000 0.693 255 V HN 0.325 nan 8.190 nan 0.000 0.479 256 S N -0.580 115.133 115.700 0.022 0.000 2.336 256 S HA -0.139 4.331 4.470 0.000 0.000 0.216 256 S C 1.845 176.410 174.600 -0.058 0.000 1.032 256 S CA 1.018 59.202 58.200 -0.026 0.000 0.973 256 S CB -0.065 63.098 63.200 -0.062 0.000 0.888 256 S HN 0.581 nan 8.310 nan 0.000 0.455 257 Q N -0.418 119.302 119.800 -0.134 0.000 2.360 257 Q HA 0.303 4.643 4.340 0.000 0.000 0.202 257 Q C 0.785 176.797 176.000 0.020 0.000 0.915 257 Q CA 0.316 56.035 55.803 -0.140 0.000 0.943 257 Q CB 0.356 28.902 28.738 -0.320 0.000 1.064 257 Q HN 0.568 nan 8.270 nan 0.000 0.511 258 M N -1.514 118.182 119.600 0.160 0.000 2.268 258 M HA 0.098 4.578 4.480 0.000 0.000 0.355 258 M C 0.988 177.475 176.300 0.312 0.000 0.938 258 M CA 0.133 55.603 55.300 0.283 0.000 1.025 258 M CB 0.961 33.801 32.600 0.400 0.000 1.773 258 M HN -0.136 nan 8.290 nan 0.000 0.613 259 T N 1.178 115.901 114.554 0.283 0.000 2.951 259 T HA 0.223 4.573 4.350 0.000 0.000 0.268 259 T C 0.622 175.349 174.700 0.045 0.000 1.073 259 T CA 1.001 63.243 62.100 0.237 0.000 1.134 259 T CB 0.114 69.109 68.868 0.212 0.000 0.884 259 T HN 0.459 nan 8.240 nan 0.000 0.479 260 A N -0.184 122.630 122.820 -0.010 0.000 2.610 260 A HA 0.666 4.986 4.320 0.000 0.000 0.291 260 A C 0.847 178.334 177.584 -0.162 0.000 1.086 260 A CA -0.656 51.333 52.037 -0.080 0.000 0.677 260 A CB 0.829 19.773 19.000 -0.093 0.000 1.278 260 A HN 0.053 nan 8.150 nan 0.000 0.414 261 R N 0.196 120.590 120.500 -0.176 0.000 2.096 261 R HA -0.094 4.246 4.340 0.000 0.000 0.240 261 R C 1.155 177.144 176.300 -0.518 0.000 1.139 261 R CA 2.416 58.366 56.100 -0.250 0.000 0.952 261 R CB -0.415 29.787 30.300 -0.163 0.000 0.854 261 R HN 0.896 nan 8.270 nan 0.000 0.436 262 G N -0.980 107.477 108.800 -0.571 0.000 2.714 262 G HA2 0.390 4.350 3.960 0.000 0.000 0.197 262 G HA3 0.390 4.350 3.960 0.000 0.000 0.197 262 G C -0.492 173.867 174.900 -0.902 0.000 1.449 262 G CA -0.280 44.163 45.100 -1.095 0.000 1.065 262 G HN 0.421 nan 8.290 nan 0.000 0.575 263 G N -1.178 107.340 108.800 -0.470 0.000 2.491 263 G HA2 0.492 4.452 3.960 0.000 0.000 0.238 263 G HA3 0.492 4.452 3.960 0.000 0.000 0.238 263 G C 0.280 175.128 174.900 -0.087 0.000 1.277 263 G CA 0.664 45.716 45.100 -0.080 0.000 0.851 263 G HN 0.869 nan 8.290 nan 0.000 0.573 264 G N 0.372 109.150 108.800 -0.037 0.000 3.257 264 G HA2 0.617 4.577 3.960 0.000 0.000 0.205 264 G HA3 0.617 4.577 3.960 0.000 0.000 0.205 264 G C -0.620 174.282 174.900 0.004 0.000 1.234 264 G CA -0.618 44.471 45.100 -0.017 0.000 0.918 264 G HN 0.642 nan 8.290 nan 0.000 0.602 265 N N -1.240 117.466 118.700 0.011 0.000 3.102 265 N HA 0.423 5.163 4.740 0.000 0.000 0.299 265 N C -1.487 174.027 175.510 0.007 0.000 1.482 265 N CA -0.494 52.561 53.050 0.008 0.000 0.785 265 N CB 2.186 40.676 38.487 0.004 0.000 1.680 265 N HN 0.329 nan 8.380 nan 0.000 0.594 266 D N 0.065 120.467 120.400 0.002 0.000 2.466 266 D HA 0.465 5.105 4.640 0.000 0.000 0.262 266 D C -0.151 176.146 176.300 -0.004 0.000 1.177 266 D CA -0.194 53.808 54.000 0.004 0.000 1.035 266 D CB 1.001 41.805 40.800 0.006 0.000 1.105 266 D HN 0.289 nan 8.370 nan 0.000 0.551 267 I N 1.946 122.519 120.570 0.005 0.000 2.352 267 I HA 0.193 4.363 4.170 0.000 0.000 0.290 267 I C -1.972 174.127 176.117 -0.030 0.000 1.036 267 I CA -1.578 59.706 61.300 -0.026 0.000 1.336 267 I CB 1.035 39.031 38.000 -0.008 0.000 1.407 267 I HN 0.067 nan 8.210 nan 0.000 0.497 268 P HA 0.101 nan 4.420 nan 0.000 0.264 268 P C -0.787 176.469 177.300 -0.073 0.000 1.193 268 P CA -0.063 63.003 63.100 -0.057 0.000 0.763 268 P CB 0.427 32.086 31.700 -0.068 0.000 0.810 269 R N 2.699 123.173 120.500 -0.044 0.000 2.604 269 R HA 0.356 4.696 4.340 0.000 0.000 0.287 269 R C 1.120 177.393 176.300 -0.044 0.000 0.970 269 R CA -0.795 55.282 56.100 -0.039 0.000 0.946 269 R CB 1.590 31.889 30.300 -0.002 0.000 1.127 269 R HN 0.411 nan 8.270 nan 0.000 0.473 270 R N 0.770 121.241 120.500 -0.048 0.000 2.052 270 R HA -0.028 4.312 4.340 0.000 0.000 0.224 270 R C -0.084 176.206 176.300 -0.017 0.000 1.149 270 R CA 1.283 57.361 56.100 -0.038 0.000 0.962 270 R CB -0.084 30.190 30.300 -0.043 0.000 0.856 270 R HN 0.653 nan 8.270 nan 0.000 0.433 271 D N -1.657 118.741 120.400 -0.003 0.000 2.253 271 D HA 0.317 4.957 4.640 0.000 0.000 0.249 271 D C 0.245 176.548 176.300 0.004 0.000 1.049 271 D CA 0.272 54.278 54.000 0.010 0.000 0.929 271 D CB 1.781 42.602 40.800 0.035 0.000 1.176 271 D HN 0.307 nan 8.370 nan 0.000 0.437 272 A N 2.073 124.893 122.820 0.000 0.000 2.066 272 A HA 0.005 4.325 4.320 0.000 0.000 0.218 272 A C 0.723 178.291 177.584 -0.026 0.000 1.157 272 A CA 0.675 52.703 52.037 -0.016 0.000 0.670 272 A CB -0.058 18.933 19.000 -0.016 0.000 0.804 272 A HN 0.578 nan 8.150 nan 0.000 0.453 273 D N -0.411 119.994 120.400 0.007 0.000 2.317 273 D HA 0.257 4.897 4.640 0.000 0.000 0.234 273 D C -0.135 176.200 176.300 0.057 0.000 1.112 273 D CA -0.453 53.562 54.000 0.026 0.000 0.840 273 D CB 0.868 41.713 40.800 0.075 0.000 1.078 273 D HN -0.000 nan 8.370 nan 0.000 0.486 274 D N 2.410 122.804 120.400 -0.010 0.000 2.310 274 D HA -0.168 4.472 4.640 0.000 0.000 0.212 274 D C 1.298 177.680 176.300 0.137 0.000 0.965 274 D CA 0.544 54.572 54.000 0.047 0.000 0.879 274 D CB 0.007 40.722 40.800 -0.142 0.000 0.921 274 D HN 0.570 nan 8.370 nan 0.000 0.510 275 Y N 1.215 121.524 120.300 0.015 0.000 2.145 275 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 275 Y C 2.287 178.322 175.900 0.225 0.000 1.145 275 Y CA 1.766 59.916 58.100 0.082 0.000 1.148 275 Y CB -0.349 38.203 38.460 0.153 0.000 0.981 275 Y HN -0.124 nan 8.280 nan 0.000 0.507 276 T N 0.759 115.553 114.554 0.400 0.000 2.737 276 T HA -0.155 4.195 4.350 0.000 0.000 0.265 276 T C 1.662 176.476 174.700 0.191 0.000 1.038 276 T CA 1.318 63.592 62.100 0.290 0.000 1.144 276 T CB -0.319 68.674 68.868 0.207 0.000 0.866 276 T HN 0.365 nan 8.240 nan 0.000 0.434 277 N N 0.937 119.725 118.700 0.148 0.000 2.036 277 N HA -0.071 4.669 4.740 0.000 0.000 0.195 277 N C 1.581 177.131 175.510 0.066 0.000 1.037 277 N CA 1.405 54.499 53.050 0.074 0.000 0.855 277 N CB -0.564 37.939 38.487 0.026 0.000 1.033 277 N HN 0.372 nan 8.380 nan 0.000 0.423 278 F N 0.479 120.490 119.950 0.101 0.000 2.293 278 F HA 0.037 4.564 4.527 0.000 0.000 0.297 278 F C 2.244 178.208 175.800 0.273 0.000 1.089 278 F CA 0.158 58.236 58.000 0.131 0.000 1.377 278 F CB -0.339 38.568 39.000 -0.155 0.000 1.051 278 F HN -0.024 nan 8.300 nan 0.000 0.511 279 L N 0.258 121.751 121.223 0.451 0.000 2.072 279 L HA -0.120 4.220 4.340 0.000 0.000 0.205 279 L C 2.242 179.169 176.870 0.094 0.000 1.079 279 L CA 1.720 56.695 54.840 0.224 0.000 0.752 279 L CB -0.482 41.633 42.059 0.094 0.000 0.906 279 L HN -0.105 nan 8.230 nan 0.000 0.436 280 K N -0.495 119.971 120.400 0.111 0.000 2.283 280 K HA -0.059 4.261 4.320 0.000 0.000 0.202 280 K C 1.917 178.550 176.600 0.055 0.000 1.048 280 K CA 1.005 57.329 56.287 0.062 0.000 0.948 280 K CB -0.102 32.434 32.500 0.060 0.000 0.742 280 K HN 0.492 nan 8.250 nan 0.000 0.458 281 A N 0.614 123.492 122.820 0.097 0.000 1.898 281 A HA 0.154 4.474 4.320 0.000 0.000 0.214 281 A C 1.405 179.058 177.584 0.115 0.000 1.183 281 A CA 1.764 53.859 52.037 0.097 0.000 0.622 281 A CB -0.193 18.902 19.000 0.159 0.000 0.824 281 A HN 0.419 nan 8.150 nan 0.000 0.444 282 G N -1.134 107.746 108.800 0.133 0.000 2.952 282 G HA2 -0.036 3.924 3.960 0.000 0.000 0.226 282 G HA3 -0.036 3.924 3.960 0.000 0.000 0.226 282 G C 0.549 175.576 174.900 0.211 0.000 1.462 282 G CA 0.595 45.748 45.100 0.089 0.000 1.157 282 G HN 1.684 nan 8.290 nan 0.000 0.544 283 S N 1.331 117.228 115.700 0.328 0.000 2.632 283 S HA 0.719 5.189 4.470 0.000 0.000 0.271 283 S C 1.745 176.647 174.600 0.504 0.000 1.260 283 S CA 0.674 59.151 58.200 0.461 0.000 1.010 283 S CB 1.603 65.072 63.200 0.447 0.000 0.965 283 S HN 2.211 nan 8.310 nan 0.000 0.534 284 A N 2.304 125.502 122.820 0.630 0.000 1.940 284 A HA 0.080 4.400 4.320 0.000 0.000 0.219 284 A C 2.154 180.094 177.584 0.593 0.000 1.176 284 A CA 1.905 54.413 52.037 0.786 0.000 0.631 284 A CB -1.806 17.771 19.000 0.961 0.000 0.814 284 A HN 1.225 nan 8.150 nan 0.000 0.446 285 G N -1.285 107.836 108.800 0.535 0.000 2.422 285 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 285 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 285 G C 1.839 176.845 174.900 0.177 0.000 1.140 285 G CA 1.332 46.660 45.100 0.380 0.000 0.775 285 G HN 0.547 nan 8.290 nan 0.000 0.545 286 S N -0.580 115.247 115.700 0.211 0.000 2.382 286 S HA -0.072 4.398 4.470 0.000 0.000 0.228 286 S C 1.960 176.574 174.600 0.022 0.000 1.027 286 S CA 1.135 59.405 58.200 0.116 0.000 0.991 286 S CB -0.339 62.955 63.200 0.157 0.000 0.823 286 S HN 0.383 nan 8.310 nan 0.000 0.469 287 F N 2.046 121.933 119.950 -0.106 0.000 2.098 287 F HA 0.091 4.618 4.527 0.000 0.000 0.294 287 F C 2.378 177.859 175.800 -0.532 0.000 1.107 287 F CA 1.262 59.085 58.000 -0.294 0.000 1.234 287 F CB -0.866 37.998 39.000 -0.226 0.000 1.002 287 F HN 0.244 nan 8.300 nan 0.000 0.472 288 A N -0.292 122.147 122.820 -0.633 0.000 1.917 288 A HA -0.245 4.075 4.320 0.000 0.000 0.219 288 A C 2.155 179.450 177.584 -0.483 0.000 1.182 288 A CA 2.569 54.025 52.037 -0.968 0.000 0.633 288 A CB -1.521 16.626 19.000 -1.421 0.000 0.819 288 A HN 0.479 nan 8.150 nan 0.000 0.448 289 T N -0.190 114.210 114.554 -0.257 0.000 2.708 289 T HA -0.199 4.151 4.350 0.000 0.000 0.266 289 T C 2.053 176.635 174.700 -0.196 0.000 1.037 289 T CA 1.840 63.854 62.100 -0.143 0.000 1.146 289 T CB -0.298 68.530 68.868 -0.067 0.000 0.865 289 T HN 0.642 nan 8.240 nan 0.000 0.435 290 Q N 0.396 120.034 119.800 -0.271 0.000 2.226 290 Q HA 0.089 4.429 4.340 0.000 0.000 0.204 290 Q C 2.308 178.092 176.000 -0.361 0.000 0.975 290 Q CA 1.158 56.781 55.803 -0.299 0.000 0.866 290 Q CB -0.167 28.360 28.738 -0.351 0.000 0.915 290 Q HN 0.533 nan 8.270 nan 0.000 0.440 291 A N -0.456 122.077 122.820 -0.479 0.000 2.251 291 A HA 0.303 4.623 4.320 0.000 0.000 0.209 291 A C 1.499 178.937 177.584 -0.243 0.000 1.187 291 A CA 0.688 52.467 52.037 -0.430 0.000 0.823 291 A CB -0.286 18.377 19.000 -0.560 0.000 0.846 291 A HN 0.432 nan 8.150 nan 0.000 0.486 292 G N -0.883 107.808 108.800 -0.181 0.000 2.162 292 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 292 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 292 G C 0.829 175.765 174.900 0.059 0.000 0.976 292 G CA 0.534 45.609 45.100 -0.041 0.000 0.655 292 G HN 0.452 nan 8.290 nan 0.000 0.533 293 L N -0.108 121.055 121.223 -0.101 0.000 2.265 293 L HA -0.041 4.299 4.340 0.000 0.000 0.215 293 L C 2.506 179.544 176.870 0.279 0.000 1.117 293 L CA 1.464 56.263 54.840 -0.070 0.000 0.782 293 L CB -0.252 41.513 42.059 -0.489 0.000 0.914 293 L HN 0.142 nan 8.230 nan 0.000 0.441 294 D N -0.026 120.503 120.400 0.216 0.000 2.239 294 D HA -0.252 4.388 4.640 0.000 0.000 0.202 294 D C 2.059 178.481 176.300 0.204 0.000 0.993 294 D CA 1.220 55.376 54.000 0.259 0.000 0.874 294 D CB -0.015 40.840 40.800 0.093 0.000 0.922 294 D HN 0.567 nan 8.370 nan 0.000 0.464 295 Q N -0.801 119.126 119.800 0.211 0.000 2.403 295 Q HA -0.071 4.269 4.340 0.000 0.000 0.203 295 Q C -0.297 175.752 176.000 0.082 0.000 0.932 295 Q CA 0.057 55.924 55.803 0.108 0.000 0.945 295 Q CB -0.124 28.634 28.738 0.032 0.000 1.045 295 Q HN 0.299 nan 8.270 nan 0.000 0.511 296 Y N 1.422 121.781 120.300 0.098 0.000 2.367 296 Y HA 0.237 4.787 4.550 0.000 0.000 0.342 296 Y C -1.563 174.392 175.900 0.091 0.000 0.979 296 Y CA -2.596 55.567 58.100 0.105 0.000 1.161 296 Y CB 1.496 40.041 38.460 0.142 0.000 1.155 296 Y HN 0.038 nan 8.280 nan 0.000 0.503 297 P HA -0.299 nan 4.420 nan 0.000 0.217 297 P C 1.611 178.957 177.300 0.077 0.000 1.158 297 P CA 1.581 64.724 63.100 0.071 0.000 0.887 297 P CB 0.036 31.769 31.700 0.056 0.000 0.792 298 F N -1.008 118.923 119.950 -0.031 0.000 2.134 298 F HA -0.163 4.364 4.527 0.000 0.000 0.299 298 F C 2.366 178.082 175.800 -0.141 0.000 1.097 298 F CA 1.227 59.147 58.000 -0.133 0.000 1.264 298 F CB -1.022 37.821 39.000 -0.261 0.000 1.001 298 F HN 0.018 nan 8.300 nan 0.000 0.479 299 W N 1.452 122.548 121.300 -0.340 0.000 2.335 299 W HA -0.283 4.377 4.660 0.000 0.000 0.311 299 W C 2.082 178.466 176.519 -0.226 0.000 1.213 299 W CA 1.813 58.985 57.345 -0.287 0.000 1.274 299 W CB -0.450 28.996 29.460 -0.024 0.000 1.148 299 W HN 0.185 nan 8.180 nan 0.000 0.498 300 Q N 0.186 119.784 119.800 -0.336 0.000 2.077 300 Q HA -0.249 4.091 4.340 0.000 0.000 0.206 300 Q C 2.333 178.044 176.000 -0.481 0.000 0.989 300 Q CA 1.869 57.412 55.803 -0.434 0.000 0.853 300 Q CB -0.573 28.039 28.738 -0.211 0.000 0.907 300 Q HN 0.344 nan 8.270 nan 0.000 0.418 301 R N 0.324 120.542 120.500 -0.470 0.000 2.073 301 R HA -0.113 4.227 4.340 0.000 0.000 0.234 301 R C 2.356 178.224 176.300 -0.718 0.000 1.134 301 R CA 1.585 57.317 56.100 -0.613 0.000 0.952 301 R CB -0.392 29.563 30.300 -0.575 0.000 0.850 301 R HN 0.352 nan 8.270 nan 0.000 0.433 302 M N 0.100 119.295 119.600 -0.675 0.000 2.080 302 M HA -0.231 4.249 4.480 0.000 0.000 0.260 302 M C 2.424 178.637 176.300 -0.145 0.000 1.068 302 M CA 1.835 57.004 55.300 -0.218 0.000 1.109 302 M CB -0.430 32.102 32.600 -0.113 0.000 1.342 302 M HN 0.218 nan 8.290 nan 0.000 0.405 303 H N 0.111 118.694 119.070 -0.812 0.000 2.387 303 H HA -0.089 4.467 4.556 0.000 0.000 0.299 303 H C 1.679 176.811 175.328 -0.328 0.000 1.090 303 H CA 1.791 57.380 56.048 -0.764 0.000 1.332 303 H CB -0.017 28.939 29.762 -1.343 0.000 1.386 303 H HN 0.561 nan 8.280 nan 0.000 0.516 304 A N 0.757 123.284 122.820 -0.487 0.000 2.067 304 A HA -0.104 4.216 4.320 0.000 0.000 0.219 304 A C 0.466 177.615 177.584 -0.724 0.000 1.158 304 A CA 0.792 52.460 52.037 -0.614 0.000 0.661 304 A CB -0.206 18.362 19.000 -0.721 0.000 0.801 304 A HN 0.523 nan 8.150 nan 0.000 0.452 305 H N -1.294 117.675 119.070 -0.168 0.000 2.423 305 H HA 0.240 4.797 4.556 0.000 0.000 0.237 305 H C -2.304 173.228 175.328 0.340 0.000 1.391 305 H CA -1.645 54.427 56.048 0.040 0.000 1.453 305 H CB 0.746 30.462 29.762 -0.076 0.000 1.484 305 H HN 0.274 nan 8.280 nan 0.000 0.505 306 P HA 0.017 nan 4.420 nan 0.000 0.224 306 P C 0.778 178.222 177.300 0.240 0.000 1.157 306 P CA 0.550 63.773 63.100 0.205 0.000 0.799 306 P CB 0.677 32.386 31.700 0.016 0.000 0.809 307 A N -0.961 122.025 122.820 0.276 0.000 2.248 307 A HA 0.331 4.651 4.320 0.000 0.000 0.316 307 A C -0.570 176.888 177.584 -0.211 0.000 1.101 307 A CA -0.412 51.752 52.037 0.212 0.000 0.875 307 A CB -0.299 18.875 19.000 0.289 0.000 1.207 307 A HN 0.006 nan 8.150 nan 0.000 0.504 308 Y N 1.931 121.583 120.300 -1.080 0.000 2.971 308 Y HA 0.171 4.721 4.550 0.000 0.000 0.384 308 Y C 0.395 176.005 175.900 -0.483 0.000 1.166 308 Y CA -1.098 56.119 58.100 -1.473 0.000 1.973 308 Y CB -1.305 35.999 38.460 -1.927 0.000 2.082 308 Y HN 0.785 nan 8.280 nan 0.000 0.420 309 D N -0.247 120.012 120.400 -0.236 0.000 2.315 309 D HA 0.171 4.811 4.640 0.000 0.000 0.275 309 D C 1.647 177.780 176.300 -0.278 0.000 1.218 309 D CA 0.282 54.180 54.000 -0.170 0.000 1.040 309 D CB -0.061 40.741 40.800 0.004 0.000 1.123 309 D HN 0.135 nan 8.370 nan 0.000 0.541 310 A N -1.336 121.366 122.820 -0.196 0.000 2.015 310 A HA -0.059 4.261 4.320 0.000 0.000 0.219 310 A C 1.983 179.399 177.584 -0.280 0.000 1.163 310 A CA 1.063 52.971 52.037 -0.215 0.000 0.646 310 A CB -1.200 17.720 19.000 -0.134 0.000 0.806 310 A HN 0.518 nan 8.150 nan 0.000 0.448 311 F N -0.825 118.774 119.950 -0.585 0.000 2.075 311 F HA -0.153 4.374 4.527 0.000 0.000 0.297 311 F C 1.903 177.322 175.800 -0.634 0.000 1.113 311 F CA 1.775 59.296 58.000 -0.798 0.000 1.218 311 F CB -0.442 37.636 39.000 -1.537 0.000 0.984 311 F HN 0.392 nan 8.300 nan 0.000 0.472 312 W N 0.262 121.395 121.300 -0.279 0.000 2.476 312 W HA -0.003 4.657 4.660 0.000 0.000 0.281 312 W C 2.504 178.796 176.519 -0.378 0.000 1.230 312 W CA 0.643 57.837 57.345 -0.252 0.000 1.287 312 W CB -0.579 28.817 29.460 -0.107 0.000 1.108 312 W HN 0.024 nan 8.180 nan 0.000 0.567 313 Q N -0.232 119.311 119.800 -0.429 0.000 2.224 313 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 313 Q C 2.349 178.239 176.000 -0.183 0.000 0.970 313 Q CA 1.308 56.858 55.803 -0.420 0.000 0.865 313 Q CB -0.480 27.965 28.738 -0.487 0.000 0.922 313 Q HN 0.348 nan 8.270 nan 0.000 0.445 314 G N -0.174 108.497 108.800 -0.214 0.000 2.848 314 G HA2 -0.161 3.799 3.960 0.000 0.000 0.208 314 G HA3 -0.161 3.799 3.960 0.000 0.000 0.208 314 G C 0.922 175.755 174.900 -0.111 0.000 1.152 314 G CA 0.107 45.108 45.100 -0.166 0.000 0.789 314 G HN 0.294 nan 8.290 nan 0.000 0.531 315 Q N -0.406 119.355 119.800 -0.065 0.000 2.246 315 Q HA 0.300 4.640 4.340 0.000 0.000 0.222 315 Q C 1.066 177.166 176.000 0.166 0.000 0.851 315 Q CA -0.098 55.739 55.803 0.056 0.000 0.945 315 Q CB 0.974 29.755 28.738 0.073 0.000 1.122 315 Q HN 0.312 nan 8.270 nan 0.000 0.508 316 A N 2.215 125.126 122.820 0.151 0.000 2.752 316 A HA 0.078 4.398 4.320 0.000 0.000 0.292 316 A C 1.184 178.872 177.584 0.173 0.000 1.597 316 A CA 0.100 52.255 52.037 0.197 0.000 1.241 316 A CB -0.691 18.434 19.000 0.208 0.000 1.061 316 A HN 0.354 nan 8.150 nan 0.000 0.576 317 L N 0.850 122.192 121.223 0.198 0.000 2.353 317 L HA -0.178 4.162 4.340 0.000 0.000 0.220 317 L C 2.153 179.122 176.870 0.165 0.000 1.133 317 L CA 1.264 56.211 54.840 0.179 0.000 0.798 317 L CB -0.557 41.626 42.059 0.208 0.000 0.922 317 L HN 0.796 nan 8.230 nan 0.000 0.445 318 D N 0.482 120.985 120.400 0.173 0.000 2.097 318 D HA -0.205 4.435 4.640 0.000 0.000 0.197 318 D C 1.884 178.249 176.300 0.107 0.000 0.984 318 D CA 1.319 55.394 54.000 0.125 0.000 0.826 318 D CB -0.184 40.719 40.800 0.172 0.000 0.973 318 D HN 0.194 nan 8.370 nan 0.000 0.460 319 K N 0.048 120.526 120.400 0.130 0.000 2.062 319 K HA 0.114 4.434 4.320 0.000 0.000 0.205 319 K C 2.446 179.095 176.600 0.082 0.000 1.051 319 K CA 0.733 57.083 56.287 0.104 0.000 0.941 319 K CB -0.076 32.493 32.500 0.117 0.000 0.719 319 K HN 0.148 nan 8.250 nan 0.000 0.440 320 I N 0.781 121.403 120.570 0.086 0.000 2.226 320 I HA -0.260 3.910 4.170 0.000 0.000 0.245 320 I C 2.197 178.360 176.117 0.078 0.000 1.100 320 I CA 0.690 62.032 61.300 0.070 0.000 1.374 320 I CB -0.168 37.872 38.000 0.067 0.000 1.057 320 I HN 0.105 nan 8.210 nan 0.000 0.413 321 L N 1.183 122.467 121.223 0.101 0.000 2.046 321 L HA -0.131 4.209 4.340 0.000 0.000 0.208 321 L C 2.526 179.455 176.870 0.097 0.000 1.077 321 L CA 2.094 57.005 54.840 0.119 0.000 0.747 321 L CB -0.810 41.355 42.059 0.176 0.000 0.896 321 L HN 0.193 nan 8.230 nan 0.000 0.432 322 A N -1.368 121.497 122.820 0.076 0.000 2.019 322 A HA -0.244 4.076 4.320 0.000 0.000 0.219 322 A C 2.209 179.822 177.584 0.047 0.000 1.164 322 A CA 1.704 53.772 52.037 0.052 0.000 0.644 322 A CB -0.500 18.519 19.000 0.031 0.000 0.805 322 A HN 0.652 nan 8.150 nan 0.000 0.449 323 Q N -1.179 118.651 119.800 0.050 0.000 2.119 323 Q HA -0.119 4.221 4.340 0.000 0.000 0.201 323 Q C 2.259 178.284 176.000 0.041 0.000 0.972 323 Q CA 1.450 57.277 55.803 0.040 0.000 0.847 323 Q CB -0.058 28.702 28.738 0.037 0.000 0.903 323 Q HN 0.534 nan 8.270 nan 0.000 0.433 324 R N 0.722 121.253 120.500 0.052 0.000 2.193 324 R HA 0.028 4.368 4.340 0.000 0.000 0.213 324 R C -0.348 175.985 176.300 0.055 0.000 1.055 324 R CA 0.384 56.516 56.100 0.053 0.000 0.995 324 R CB 0.259 30.596 30.300 0.062 0.000 0.893 324 R HN 0.009 nan 8.270 nan 0.000 0.459 325 K N 0.976 121.413 120.400 0.061 0.000 4.868 325 K HA -0.111 4.209 4.320 0.000 0.000 0.314 325 K C -2.456 174.186 176.600 0.070 0.000 0.932 325 K CA 0.344 56.667 56.287 0.061 0.000 0.998 325 K CB -1.138 31.389 32.500 0.045 0.000 1.704 325 K HN 0.263 nan 8.250 nan 0.000 0.426 326 P HA -0.023 nan 4.420 nan 0.000 0.269 326 P C 0.754 178.099 177.300 0.075 0.000 1.209 326 P CA 0.208 63.362 63.100 0.090 0.000 0.776 326 P CB 0.682 32.457 31.700 0.125 0.000 0.876 327 T N -2.335 112.251 114.554 0.053 0.000 3.044 327 T HA 0.185 4.535 4.350 0.000 0.000 0.260 327 T C 0.486 175.191 174.700 0.007 0.000 1.019 327 T CA -0.169 61.954 62.100 0.038 0.000 0.921 327 T CB -0.220 68.668 68.868 0.033 0.000 1.053 327 T HN 0.100 nan 8.240 nan 0.000 0.533 328 V N 3.500 123.411 119.914 -0.005 0.000 2.465 328 V HA 0.370 4.490 4.120 0.000 0.000 0.279 328 V C -2.329 173.713 176.094 -0.087 0.000 1.045 328 V CA -2.343 59.910 62.300 -0.078 0.000 0.938 328 V CB 0.999 32.778 31.823 -0.075 0.000 0.986 328 V HN 0.177 nan 8.190 nan 0.000 0.467 329 P HA 0.079 nan 4.420 nan 0.000 0.261 329 P C -0.554 176.781 177.300 0.059 0.000 1.173 329 P CA 0.636 63.664 63.100 -0.120 0.000 0.760 329 P CB 0.256 31.556 31.700 -0.667 0.000 0.783 330 M N 3.051 122.773 119.600 0.204 0.000 2.464 330 M HA 0.412 4.892 4.480 0.000 0.000 0.308 330 M C -0.536 175.779 176.300 0.025 0.000 1.127 330 M CA -0.395 54.937 55.300 0.053 0.000 0.913 330 M CB 2.142 34.731 32.600 -0.019 0.000 1.689 330 M HN 0.139 nan 8.290 nan 0.000 0.445 331 L N 2.941 124.098 121.223 -0.110 0.000 2.417 331 L HA 0.417 4.757 4.340 0.000 0.000 0.259 331 L C -1.745 174.999 176.870 -0.210 0.000 1.023 331 L CA -0.296 54.454 54.840 -0.150 0.000 0.901 331 L CB 0.724 42.742 42.059 -0.068 0.000 1.227 331 L HN 0.773 nan 8.230 nan 0.000 0.454 332 W N 3.493 124.784 121.300 -0.015 0.000 2.287 332 W HA 0.335 4.995 4.660 0.000 0.000 0.313 332 W C 0.617 177.051 176.519 -0.142 0.000 1.267 332 W CA -0.029 57.303 57.345 -0.022 0.000 1.201 332 W CB 0.807 30.301 29.460 0.057 0.000 1.196 332 W HN 0.318 nan 8.180 nan 0.000 0.536 333 E N 3.498 123.761 120.200 0.105 0.000 2.317 333 E HA 0.373 4.723 4.350 0.000 0.000 0.270 333 E C -1.141 175.505 176.600 0.077 0.000 0.885 333 E CA -0.714 55.672 56.400 -0.023 0.000 0.760 333 E CB 2.235 31.846 29.700 -0.149 0.000 1.227 333 E HN 0.675 nan 8.360 nan 0.000 0.434 334 Q N 1.149 120.981 119.800 0.054 0.000 2.578 334 Q HA 0.626 4.966 4.340 0.000 0.000 0.284 334 Q C -1.086 174.963 176.000 0.082 0.000 0.960 334 Q CA -1.116 54.749 55.803 0.105 0.000 0.809 334 Q CB 0.868 29.658 28.738 0.087 0.000 1.462 334 Q HN 0.468 nan 8.270 nan 0.000 0.392 335 G N 1.086 109.967 108.800 0.135 0.000 2.377 335 G HA2 0.414 4.374 3.960 0.000 0.000 0.299 335 G HA3 0.414 4.374 3.960 0.000 0.000 0.299 335 G C 0.346 175.183 174.900 -0.106 0.000 1.150 335 G CA -0.901 44.244 45.100 0.074 0.000 0.847 335 G HN 0.664 nan 8.290 nan 0.000 0.501 336 L N 0.745 121.766 121.223 -0.337 0.000 2.187 336 L HA -0.027 4.313 4.340 0.000 0.000 0.213 336 L C 1.066 177.603 176.870 -0.556 0.000 1.100 336 L CA 0.872 55.377 54.840 -0.557 0.000 0.765 336 L CB 0.018 41.519 42.059 -0.931 0.000 0.904 336 L HN 0.555 nan 8.230 nan 0.000 0.437 337 W N 0.086 121.315 121.300 -0.118 0.000 1.931 337 W HA 0.193 4.853 4.660 0.000 0.000 0.346 337 W C 0.052 176.517 176.519 -0.091 0.000 0.775 337 W CA -0.929 56.340 57.345 -0.126 0.000 2.738 337 W CB -0.012 29.364 29.460 -0.140 0.000 1.908 337 W HN -0.042 nan 8.180 nan 0.000 0.665 338 D N 2.630 123.101 120.400 0.118 0.000 2.367 338 D HA -0.058 4.582 4.640 0.000 0.000 0.255 338 D C 1.704 178.071 176.300 0.112 0.000 1.300 338 D CA 0.473 54.573 54.000 0.167 0.000 0.959 338 D CB 0.897 41.815 40.800 0.197 0.000 1.064 338 D HN 0.169 nan 8.370 nan 0.000 0.509 339 Q N 2.379 122.196 119.800 0.029 0.000 2.515 339 Q HA -0.092 4.249 4.340 0.000 0.000 0.212 339 Q C 0.257 176.332 176.000 0.126 0.000 0.970 339 Q CA 1.032 56.789 55.803 -0.077 0.000 0.941 339 Q CB 0.236 28.705 28.738 -0.447 0.000 0.998 339 Q HN 0.593 nan 8.270 nan 0.000 0.518 340 E N -0.064 120.191 120.200 0.092 0.000 2.406 340 E HA 0.118 4.468 4.350 0.000 0.000 0.204 340 E C -0.252 176.294 176.600 -0.090 0.000 0.820 340 E CA 0.104 56.467 56.400 -0.061 0.000 1.136 340 E CB 0.740 30.148 29.700 -0.487 0.000 1.129 340 E HN 0.309 nan 8.360 nan 0.000 0.530 341 D N 0.867 121.263 120.400 -0.006 0.000 2.613 341 D HA 0.114 4.754 4.640 0.000 0.000 0.312 341 D C 0.293 176.713 176.300 0.201 0.000 1.202 341 D CA 0.001 54.065 54.000 0.106 0.000 0.825 341 D CB 1.181 42.066 40.800 0.142 0.000 1.113 341 D HN 0.022 nan 8.370 nan 0.000 0.502 342 M N 0.295 120.018 119.600 0.204 0.000 2.319 342 M HA 0.017 4.497 4.480 0.000 0.000 0.265 342 M C 1.558 177.986 176.300 0.214 0.000 1.068 342 M CA 1.149 56.565 55.300 0.192 0.000 1.118 342 M CB 0.109 32.836 32.600 0.211 0.000 1.395 342 M HN 0.412 nan 8.290 nan 0.000 0.435 343 W N 0.305 121.620 121.300 0.026 0.000 2.444 343 W HA 0.060 4.720 4.660 0.000 0.000 0.308 343 W C 1.690 178.326 176.519 0.195 0.000 1.183 343 W CA 1.585 58.980 57.345 0.083 0.000 1.340 343 W CB -0.990 28.356 29.460 -0.190 0.000 1.138 343 W HN 0.303 nan 8.180 nan 0.000 0.510 344 G N 1.575 110.599 108.800 0.373 0.000 3.025 344 G HA2 -0.437 3.523 3.960 0.000 0.000 0.219 344 G HA3 -0.437 3.523 3.960 0.000 0.000 0.219 344 G C 1.593 176.592 174.900 0.166 0.000 1.229 344 G CA 2.790 48.065 45.100 0.291 0.000 0.764 344 G HN 0.443 nan 8.290 nan 0.000 0.857 345 A N 0.326 123.263 122.820 0.195 0.000 1.863 345 A HA -0.191 4.129 4.320 0.000 0.000 0.218 345 A C 2.530 180.080 177.584 -0.058 0.000 1.233 345 A CA 2.735 54.866 52.037 0.157 0.000 0.655 345 A CB -0.866 18.285 19.000 0.252 0.000 0.839 345 A HN 1.009 nan 8.150 nan 0.000 0.454 346 I N -1.291 119.253 120.570 -0.043 0.000 2.185 346 I HA -0.356 3.814 4.170 0.000 0.000 0.246 346 I C 2.255 178.293 176.117 -0.133 0.000 1.088 346 I CA 2.655 63.903 61.300 -0.087 0.000 1.347 346 I CB -0.230 37.670 38.000 -0.168 0.000 1.041 346 I HN 0.545 nan 8.210 nan 0.000 0.415 347 H N -0.017 118.911 119.070 -0.238 0.000 2.363 347 H HA 0.077 4.633 4.556 0.000 0.000 0.301 347 H C 2.223 177.412 175.328 -0.232 0.000 1.074 347 H CA 1.407 57.279 56.048 -0.293 0.000 1.354 347 H CB -0.328 29.117 29.762 -0.529 0.000 1.397 347 H HN 0.463 nan 8.280 nan 0.000 0.516 348 A N 0.580 123.259 122.820 -0.235 0.000 1.877 348 A HA -0.216 4.104 4.320 0.000 0.000 0.216 348 A C 2.149 179.348 177.584 -0.642 0.000 1.186 348 A CA 1.611 53.338 52.037 -0.517 0.000 0.620 348 A CB -1.291 17.090 19.000 -1.031 0.000 0.822 348 A HN 0.708 nan 8.150 nan 0.000 0.443 349 W N 0.767 121.457 121.300 -1.017 0.000 2.317 349 W HA -0.300 4.360 4.660 0.000 0.000 0.318 349 W C 2.222 178.587 176.519 -0.256 0.000 1.227 349 W CA 2.564 59.504 57.345 -0.674 0.000 1.269 349 W CB -0.412 28.793 29.460 -0.424 0.000 1.155 349 W HN 0.412 nan 8.180 nan 0.000 0.484 350 Q N 0.900 120.478 119.800 -0.370 0.000 2.119 350 Q HA -0.093 4.247 4.340 0.000 0.000 0.201 350 Q C 2.230 178.001 176.000 -0.382 0.000 0.972 350 Q CA 2.682 58.127 55.803 -0.597 0.000 0.847 350 Q CB -0.963 27.631 28.738 -0.239 0.000 0.903 350 Q HN 0.312 nan 8.270 nan 0.000 0.433 351 A N 0.122 122.806 122.820 -0.227 0.000 1.972 351 A HA -0.103 4.217 4.320 0.000 0.000 0.219 351 A C 2.068 179.574 177.584 -0.130 0.000 1.169 351 A CA 1.370 53.333 52.037 -0.123 0.000 0.635 351 A CB -0.628 18.346 19.000 -0.044 0.000 0.810 351 A HN 0.459 nan 8.150 nan 0.000 0.446 352 L N -1.067 120.052 121.223 -0.174 0.000 2.095 352 L HA -0.099 4.241 4.340 0.000 0.000 0.204 352 L C 2.591 179.365 176.870 -0.161 0.000 1.080 352 L CA 1.394 56.172 54.840 -0.103 0.000 0.759 352 L CB -0.420 41.630 42.059 -0.015 0.000 0.914 352 L HN 0.379 nan 8.230 nan 0.000 0.439 353 K N 0.241 120.436 120.400 -0.341 0.000 2.103 353 K HA -0.219 4.101 4.320 0.000 0.000 0.207 353 K C 1.519 177.987 176.600 -0.221 0.000 1.048 353 K CA 1.711 57.778 56.287 -0.366 0.000 0.930 353 K CB 0.030 32.099 32.500 -0.719 0.000 0.716 353 K HN 0.254 nan 8.250 nan 0.000 0.444 354 D N -0.050 120.230 120.400 -0.200 0.000 2.149 354 D HA -0.085 4.555 4.640 0.000 0.000 0.201 354 D C 1.379 177.638 176.300 -0.068 0.000 0.972 354 D CA 1.042 54.971 54.000 -0.119 0.000 0.835 354 D CB -0.015 40.727 40.800 -0.097 0.000 0.966 354 D HN 0.257 nan 8.370 nan 0.000 0.476 355 A N 0.475 123.261 122.820 -0.058 0.000 2.235 355 A HA -0.029 4.291 4.320 0.000 0.000 0.208 355 A C -0.120 177.455 177.584 -0.015 0.000 1.172 355 A CA 0.241 52.264 52.037 -0.023 0.000 0.786 355 A CB -0.219 18.777 19.000 -0.006 0.000 0.804 355 A HN 0.142 nan 8.150 nan 0.000 0.479 356 D N -0.022 120.361 120.400 -0.029 0.000 2.746 356 D HA -0.132 4.508 4.640 0.000 0.000 0.241 356 D C 0.148 176.454 176.300 0.010 0.000 1.140 356 D CA 0.900 54.893 54.000 -0.011 0.000 0.707 356 D CB -2.259 38.540 40.800 -0.002 0.000 1.034 356 D HN 0.557 nan 8.370 nan 0.000 0.423 357 V N -1.991 117.931 119.914 0.015 0.000 2.655 357 V HA 0.079 4.199 4.120 0.000 0.000 0.300 357 V C 1.001 177.128 176.094 0.055 0.000 1.044 357 V CA 0.011 62.337 62.300 0.043 0.000 1.095 357 V CB 0.929 32.791 31.823 0.066 0.000 0.952 357 V HN 0.100 nan 8.190 nan 0.000 0.485 358 K N 3.523 123.958 120.400 0.059 0.000 2.535 358 K HA 0.698 5.018 4.320 0.000 0.000 0.242 358 K C -0.093 176.554 176.600 0.078 0.000 1.210 358 K CA 0.442 56.769 56.287 0.066 0.000 1.178 358 K CB 0.539 33.073 32.500 0.056 0.000 1.778 358 K HN 1.067 nan 8.250 nan 0.000 0.372 359 A N 1.529 124.407 122.820 0.097 0.000 2.599 359 A HA 0.435 4.755 4.320 0.000 0.000 0.294 359 A C -2.945 174.732 177.584 0.154 0.000 1.055 359 A CA -1.459 50.643 52.037 0.108 0.000 0.683 359 A CB 0.724 19.773 19.000 0.081 0.000 1.278 359 A HN 0.143 nan 8.150 nan 0.000 0.412 360 P HA 0.219 nan 4.420 nan 0.000 0.261 360 P C -0.722 176.734 177.300 0.261 0.000 1.183 360 P CA 0.683 63.941 63.100 0.264 0.000 0.761 360 P CB 0.230 32.179 31.700 0.416 0.000 0.785 361 N N 1.757 120.623 118.700 0.278 0.000 2.707 361 N HA 0.189 4.929 4.740 0.000 0.000 0.249 361 N C -1.445 174.381 175.510 0.526 0.000 1.299 361 N CA -0.236 53.054 53.050 0.401 0.000 0.769 361 N CB 0.567 39.256 38.487 0.337 0.000 1.236 361 N HN 0.052 nan 8.380 nan 0.000 0.524 362 T N 1.980 116.734 114.554 0.333 0.000 2.824 362 T HA 0.464 4.814 4.350 0.000 0.000 0.280 362 T C -0.685 174.006 174.700 -0.014 0.000 0.995 362 T CA -0.398 61.797 62.100 0.159 0.000 1.009 362 T CB 1.011 69.838 68.868 -0.068 0.000 0.955 362 T HN 0.345 nan 8.240 nan 0.000 0.452 363 L N 4.856 125.802 121.223 -0.461 0.000 2.296 363 L HA 0.753 5.093 4.340 0.000 0.000 0.286 363 L C -1.151 175.390 176.870 -0.547 0.000 1.023 363 L CA -0.372 54.051 54.840 -0.694 0.000 0.812 363 L CB 1.064 42.148 42.059 -1.625 0.000 1.223 363 L HN 0.394 nan 8.230 nan 0.000 0.421 364 V N 6.763 126.435 119.914 -0.403 0.000 2.448 364 V HA 0.547 4.667 4.120 0.000 0.000 0.295 364 V C -0.142 175.728 176.094 -0.373 0.000 1.025 364 V CA -0.377 61.668 62.300 -0.424 0.000 0.859 364 V CB 1.668 33.179 31.823 -0.519 0.000 0.988 364 V HN 0.804 nan 8.190 nan 0.000 0.431 365 M N 4.277 123.639 119.600 -0.396 0.000 2.151 365 M HA 0.562 5.042 4.480 0.000 0.000 0.290 365 M C 0.214 176.135 176.300 -0.633 0.000 0.965 365 M CA -0.204 54.828 55.300 -0.446 0.000 0.930 365 M CB 2.048 34.377 32.600 -0.450 0.000 1.560 365 M HN 0.754 nan 8.290 nan 0.000 0.438 366 G N 2.307 110.344 108.800 -1.271 0.000 2.705 366 G HA2 0.734 4.694 3.960 0.000 0.000 0.299 366 G HA3 0.734 4.694 3.960 0.000 0.000 0.299 366 G C -2.763 171.073 174.900 -1.773 0.000 1.315 366 G CA -1.283 42.585 45.100 -2.052 0.000 1.045 366 G HN 0.411 nan 8.290 nan 0.000 0.517 367 P HA 0.191 nan 4.420 nan 0.000 0.220 367 P C -0.985 175.984 177.300 -0.553 0.000 1.806 367 P CA -0.117 62.308 63.100 -1.125 0.000 0.976 367 P CB -0.146 30.351 31.700 -2.006 0.000 1.952 368 W N 1.752 123.028 121.300 -0.040 0.000 2.820 368 W HA 0.442 5.102 4.660 0.000 0.000 0.350 368 W C 0.704 177.305 176.519 0.137 0.000 1.116 368 W CA -0.837 56.543 57.345 0.058 0.000 1.146 368 W CB 0.626 30.095 29.460 0.014 0.000 1.433 368 W HN 0.028 nan 8.180 nan 0.000 0.561 369 R N -0.175 120.543 120.500 0.363 0.000 2.519 369 R HA 0.375 4.715 4.340 0.000 0.000 0.244 369 R C -0.088 176.373 176.300 0.268 0.000 1.241 369 R CA -0.668 55.578 56.100 0.243 0.000 1.120 369 R CB -0.338 30.044 30.300 0.137 0.000 1.333 369 R HN 0.367 nan 8.270 nan 0.000 0.587 370 H N -0.300 118.860 119.070 0.150 0.000 2.964 370 H HA 0.078 4.634 4.556 0.000 0.000 0.328 370 H C -0.230 175.220 175.328 0.203 0.000 1.030 370 H CA 1.358 57.514 56.048 0.180 0.000 1.445 370 H CB 0.314 30.186 29.762 0.184 0.000 1.449 370 H HN 0.689 nan 8.280 nan 0.000 0.581 371 S N 1.888 117.334 115.700 -0.425 0.000 3.257 371 S HA -0.244 4.226 4.470 0.000 0.000 0.300 371 S C 1.760 176.415 174.600 0.091 0.000 1.275 371 S CA 0.925 59.002 58.200 -0.204 0.000 1.023 371 S CB -1.643 61.452 63.200 -0.175 0.000 1.180 371 S HN 1.026 nan 8.310 nan 0.000 0.660 372 G N 0.194 109.057 108.800 0.105 0.000 2.509 372 G HA2 -0.017 3.943 3.960 0.000 0.000 0.218 372 G HA3 -0.017 3.943 3.960 0.000 0.000 0.218 372 G C 1.173 175.955 174.900 -0.198 0.000 1.124 372 G CA 0.850 46.019 45.100 0.116 0.000 0.776 372 G HN 0.619 nan 8.290 nan 0.000 0.547 373 V N 1.117 120.791 119.914 -0.399 0.000 2.594 373 V HA -0.070 4.050 4.120 0.000 0.000 0.253 373 V C 1.604 177.460 176.094 -0.397 0.000 1.069 373 V CA 1.525 63.353 62.300 -0.787 0.000 1.082 373 V CB -0.275 31.183 31.823 -0.608 0.000 0.680 373 V HN 0.322 nan 8.190 nan 0.000 0.469 374 N N -0.954 117.580 118.700 -0.276 0.000 2.313 374 N HA 0.144 4.884 4.740 0.000 0.000 0.207 374 N C -0.408 174.675 175.510 -0.711 0.000 1.141 374 N CA 0.258 53.059 53.050 -0.415 0.000 0.830 374 N CB 0.225 38.449 38.487 -0.440 0.000 1.008 374 N HN 0.607 nan 8.380 nan 0.000 0.481 375 Y N -0.687 119.547 120.300 -0.109 0.000 3.265 375 Y HA 0.294 4.844 4.550 0.000 0.000 0.285 375 Y C 0.336 176.194 175.900 -0.070 0.000 1.889 375 Y CA -1.253 56.809 58.100 -0.064 0.000 1.021 375 Y CB 0.176 38.612 38.460 -0.041 0.000 1.513 375 Y HN -0.233 nan 8.280 nan 0.000 0.543 376 N N 0.255 119.055 118.700 0.166 0.000 2.434 376 N HA 0.284 5.024 4.740 0.000 0.000 0.272 376 N C -0.099 175.477 175.510 0.110 0.000 1.040 376 N CA -0.013 53.096 53.050 0.099 0.000 0.956 376 N CB 1.430 39.968 38.487 0.085 0.000 1.108 376 N HN 0.823 nan 8.380 nan 0.000 0.481 377 G N 1.022 109.903 108.800 0.135 0.000 3.936 377 G HA2 0.025 3.985 3.960 0.000 0.000 0.296 377 G HA3 0.025 3.985 3.960 0.000 0.000 0.296 377 G C 0.746 175.860 174.900 0.357 0.000 1.121 377 G CA -0.198 45.068 45.100 0.277 0.000 0.899 377 G HN 0.578 nan 8.290 nan 0.000 0.542 378 S N -0.407 115.440 115.700 0.245 0.000 2.496 378 S HA 0.150 4.620 4.470 0.000 0.000 0.224 378 S C 1.110 175.806 174.600 0.160 0.000 0.996 378 S CA 0.614 58.942 58.200 0.212 0.000 0.927 378 S CB 0.087 63.357 63.200 0.117 0.000 0.774 378 S HN 0.654 nan 8.310 nan 0.000 0.524 379 T N -0.633 114.014 114.554 0.156 0.000 2.853 379 T HA 0.647 4.997 4.350 0.000 0.000 0.311 379 T C -1.928 172.820 174.700 0.079 0.000 1.307 379 T CA -0.849 61.224 62.100 -0.045 0.000 1.019 379 T CB 1.781 70.585 68.868 -0.107 0.000 1.264 379 T HN 0.229 nan 8.240 nan 0.000 0.497 380 L N 2.676 123.861 121.223 -0.064 0.000 2.596 380 L HA 0.681 5.021 4.340 0.000 0.000 0.265 380 L C 0.594 177.349 176.870 -0.192 0.000 0.962 380 L CA 1.505 56.338 54.840 -0.013 0.000 0.891 380 L CB 0.946 43.104 42.059 0.165 0.000 1.248 380 L HN 1.622 nan 8.230 nan 0.000 0.410 381 G N 5.652 114.360 108.800 -0.154 0.000 2.574 381 G HA2 -0.264 3.696 3.960 0.000 0.000 0.286 381 G HA3 -0.264 3.696 3.960 0.000 0.000 0.286 381 G C -1.706 173.073 174.900 -0.203 0.000 1.212 381 G CA 0.153 45.151 45.100 -0.170 0.000 0.979 381 G HN 0.605 nan 8.290 nan 0.000 0.557 382 P HA 0.189 nan 4.420 nan 0.000 0.236 382 P C 1.088 178.171 177.300 -0.361 0.000 1.177 382 P CA 0.467 63.402 63.100 -0.275 0.000 0.773 382 P CB 0.013 31.517 31.700 -0.327 0.000 0.878 383 L N 0.441 121.399 121.223 -0.441 0.000 2.467 383 L HA 0.161 4.501 4.340 0.000 0.000 0.270 383 L C 0.640 177.057 176.870 -0.755 0.000 1.205 383 L CA 0.331 54.825 54.840 -0.577 0.000 0.828 383 L CB 0.018 41.704 42.059 -0.621 0.000 1.101 383 L HN -0.084 nan 8.230 nan 0.000 0.479 384 E N 1.342 121.063 120.200 -0.798 0.000 2.272 384 E HA 0.542 4.892 4.350 0.000 0.000 0.269 384 E C -1.455 174.721 176.600 -0.707 0.000 0.877 384 E CA -0.529 55.457 56.400 -0.690 0.000 0.755 384 E CB 2.064 31.577 29.700 -0.312 0.000 1.192 384 E HN 0.190 nan 8.360 nan 0.000 0.422 385 F N 0.332 120.276 119.950 -0.009 0.000 2.613 385 F HA 0.331 4.858 4.527 0.000 0.000 0.342 385 F C 0.713 176.540 175.800 0.045 0.000 1.066 385 F CA -1.136 56.873 58.000 0.014 0.000 1.002 385 F CB 0.793 39.712 39.000 -0.135 0.000 1.319 385 F HN 0.192 nan 8.300 nan 0.000 0.495 386 E N 1.820 122.212 120.200 0.320 0.000 1.802 386 E HA 0.399 4.749 4.350 0.000 0.000 0.265 386 E C 0.539 177.269 176.600 0.217 0.000 1.168 386 E CA 0.190 56.723 56.400 0.222 0.000 1.033 386 E CB -0.223 29.605 29.700 0.214 0.000 1.095 386 E HN 0.796 nan 8.360 nan 0.000 0.436 387 G N 2.984 111.891 108.800 0.179 0.000 2.796 387 G HA2 -0.256 3.704 3.960 0.000 0.000 0.571 387 G HA3 -0.256 3.704 3.960 0.000 0.000 0.571 387 G C -0.316 174.711 174.900 0.213 0.000 1.370 387 G CA -0.589 44.618 45.100 0.178 0.000 0.856 387 G HN 0.476 nan 8.290 nan 0.000 0.538 388 D N 1.026 121.548 120.400 0.204 0.000 2.540 388 D HA 0.249 4.889 4.640 0.000 0.000 0.237 388 D C 2.260 178.756 176.300 0.326 0.000 1.181 388 D CA 0.943 55.078 54.000 0.225 0.000 1.119 388 D CB -0.397 40.502 40.800 0.166 0.000 1.119 388 D HN 0.768 nan 8.370 nan 0.000 0.498 389 T N 0.007 114.790 114.554 0.382 0.000 2.778 389 T HA -0.223 4.127 4.350 0.000 0.000 0.269 389 T C 1.844 176.988 174.700 0.739 0.000 1.050 389 T CA 1.134 63.598 62.100 0.606 0.000 1.137 389 T CB -0.120 68.934 68.868 0.310 0.000 0.860 389 T HN 0.252 nan 8.240 nan 0.000 0.468 390 A N 1.667 124.698 122.820 0.351 0.000 1.855 390 A HA -0.092 4.228 4.320 0.000 0.000 0.215 390 A C 2.220 179.833 177.584 0.049 0.000 1.191 390 A CA 2.008 53.948 52.037 -0.162 0.000 0.613 390 A CB -1.329 17.410 19.000 -0.434 0.000 0.829 390 A HN 0.764 nan 8.150 nan 0.000 0.442 391 H N -0.594 118.487 119.070 0.017 0.000 2.353 391 H HA -0.138 4.419 4.556 0.000 0.000 0.300 391 H C 2.138 177.478 175.328 0.020 0.000 1.090 391 H CA 2.175 58.214 56.048 -0.014 0.000 1.327 391 H CB -0.257 29.500 29.762 -0.008 0.000 1.383 391 H HN 0.575 nan 8.280 nan 0.000 0.508 392 Q N -0.859 119.026 119.800 0.142 0.000 2.062 392 Q HA -0.294 4.046 4.340 0.000 0.000 0.209 392 Q C 2.134 178.090 176.000 -0.072 0.000 0.996 392 Q CA 2.328 58.191 55.803 0.100 0.000 0.859 392 Q CB -0.425 28.541 28.738 0.379 0.000 0.920 392 Q HN 0.733 nan 8.270 nan 0.000 0.415 393 Y N 0.434 120.669 120.300 -0.109 0.000 2.163 393 Y HA -0.175 4.375 4.550 0.000 0.000 0.288 393 Y C 2.113 177.917 175.900 -0.161 0.000 1.136 393 Y CA 1.418 59.382 58.100 -0.226 0.000 1.147 393 Y CB -0.057 38.337 38.460 -0.110 0.000 0.987 393 Y HN -0.071 nan 8.280 nan 0.000 0.509 394 R N 0.174 120.380 120.500 -0.491 0.000 2.139 394 R HA -0.203 4.137 4.340 0.000 0.000 0.243 394 R C 2.529 178.468 176.300 -0.602 0.000 1.145 394 R CA 1.901 57.663 56.100 -0.562 0.000 0.976 394 R CB -0.322 29.766 30.300 -0.352 0.000 0.866 394 R HN 0.456 nan 8.270 nan 0.000 0.449 395 R N 0.290 120.446 120.500 -0.573 0.000 2.105 395 R HA -0.052 4.288 4.340 0.000 0.000 0.214 395 R C 0.756 176.867 176.300 -0.315 0.000 1.091 395 R CA 1.322 57.127 56.100 -0.491 0.000 1.007 395 R CB 0.215 30.156 30.300 -0.597 0.000 0.912 395 R HN 0.026 nan 8.270 nan 0.000 0.450 396 D N -0.133 120.105 120.400 -0.270 0.000 2.333 396 D HA 0.032 4.672 4.640 0.000 0.000 0.208 396 D C 1.398 177.625 176.300 -0.122 0.000 0.984 396 D CA 0.566 54.470 54.000 -0.159 0.000 0.873 396 D CB 0.902 41.631 40.800 -0.118 0.000 0.935 396 D HN 0.105 nan 8.370 nan 0.000 0.521 397 V N -0.285 119.511 119.914 -0.198 0.000 3.449 397 V HA -0.004 4.116 4.120 0.000 0.000 0.208 397 V C 1.669 177.727 176.094 -0.061 0.000 1.269 397 V CA -0.250 61.990 62.300 -0.099 0.000 1.301 397 V CB -0.243 31.556 31.823 -0.040 0.000 1.306 397 V HN -0.057 nan 8.190 nan 0.000 0.531 398 F N 2.524 122.088 119.950 -0.643 0.000 2.039 398 F HA -0.308 4.219 4.527 0.000 0.000 0.296 398 F C 2.625 178.325 175.800 -0.165 0.000 1.119 398 F CA 2.914 60.614 58.000 -0.501 0.000 1.211 398 F CB -0.660 37.785 39.000 -0.926 0.000 0.956 398 F HN 0.160 nan 8.300 nan 0.000 0.496 399 R N 0.524 120.885 120.500 -0.232 0.000 2.080 399 R HA -0.122 4.218 4.340 0.000 0.000 0.236 399 R C -0.769 175.575 176.300 0.074 0.000 1.137 399 R CA 2.061 57.999 56.100 -0.270 0.000 0.943 399 R CB -1.864 28.125 30.300 -0.518 0.000 0.846 399 R HN 0.213 nan 8.270 nan 0.000 0.431 400 P HA -0.143 nan 4.420 nan 0.000 0.215 400 P C 1.096 178.538 177.300 0.237 0.000 1.157 400 P CA 1.350 64.519 63.100 0.116 0.000 0.874 400 P CB -0.270 31.475 31.700 0.075 0.000 0.790 401 F N -1.174 118.895 119.950 0.198 0.000 2.095 401 F HA -0.249 4.278 4.527 0.000 0.000 0.298 401 F C 2.025 178.101 175.800 0.459 0.000 1.104 401 F CA 1.421 59.608 58.000 0.311 0.000 1.232 401 F CB -0.566 38.652 39.000 0.363 0.000 0.987 401 F HN -0.221 nan 8.300 nan 0.000 0.475 402 F N 1.064 121.156 119.950 0.238 0.000 2.186 402 F HA -0.175 4.352 4.527 0.000 0.000 0.299 402 F C 2.290 178.194 175.800 0.173 0.000 1.090 402 F CA 1.527 59.634 58.000 0.178 0.000 1.307 402 F CB -0.936 38.243 39.000 0.298 0.000 1.019 402 F HN -0.010 nan 8.300 nan 0.000 0.489 403 D N -0.024 120.581 120.400 0.341 0.000 2.123 403 D HA -0.199 4.441 4.640 0.000 0.000 0.196 403 D C 2.250 178.553 176.300 0.005 0.000 0.992 403 D CA 1.104 55.228 54.000 0.208 0.000 0.833 403 D CB -0.346 40.548 40.800 0.157 0.000 0.954 403 D HN 0.353 nan 8.370 nan 0.000 0.455 404 E N -0.761 119.373 120.200 -0.109 0.000 2.114 404 E HA -0.224 4.126 4.350 0.000 0.000 0.199 404 E C 1.319 177.606 176.600 -0.522 0.000 1.008 404 E CA 1.218 57.384 56.400 -0.391 0.000 0.810 404 E CB -0.008 29.302 29.700 -0.649 0.000 0.739 404 E HN 0.445 nan 8.360 nan 0.000 0.456 405 Y N -1.197 118.978 120.300 -0.208 0.000 2.458 405 Y HA 0.191 4.741 4.550 0.000 0.000 0.254 405 Y C 1.672 177.465 175.900 -0.179 0.000 1.120 405 Y CA 0.015 57.986 58.100 -0.216 0.000 1.282 405 Y CB 0.509 38.778 38.460 -0.317 0.000 1.109 405 Y HN -0.006 nan 8.280 nan 0.000 0.526 406 L N -0.455 120.754 121.223 -0.023 0.000 2.609 406 L HA 0.199 4.539 4.340 0.000 0.000 0.230 406 L C 0.158 176.964 176.870 -0.107 0.000 1.087 406 L CA 0.441 55.249 54.840 -0.053 0.000 0.874 406 L CB 0.351 42.423 42.059 0.020 0.000 1.114 406 L HN -0.125 nan 8.230 nan 0.000 0.488 407 K N 2.140 122.488 120.400 -0.086 0.000 2.579 407 K HA 0.315 4.635 4.320 0.000 0.000 0.225 407 K C -2.531 174.017 176.600 -0.087 0.000 0.992 407 K CA -1.742 54.484 56.287 -0.103 0.000 1.018 407 K CB 1.473 33.919 32.500 -0.090 0.000 1.249 407 K HN -0.203 nan 8.250 nan 0.000 0.489 408 P HA -0.101 nan 4.420 nan 0.000 0.255 408 P C 0.738 177.998 177.300 -0.066 0.000 1.173 408 P CA 1.120 64.175 63.100 -0.075 0.000 0.780 408 P CB 0.416 32.079 31.700 -0.062 0.000 0.758 409 G N 2.205 110.963 108.800 -0.071 0.000 2.284 409 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 409 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 409 G C 0.323 175.189 174.900 -0.057 0.000 0.998 409 G CA -0.185 44.882 45.100 -0.057 0.000 0.651 409 G HN 0.541 nan 8.290 nan 0.000 0.489 410 S N 1.054 116.714 115.700 -0.066 0.000 2.569 410 S HA 0.543 5.013 4.470 0.000 0.000 0.274 410 S C 1.023 175.582 174.600 -0.068 0.000 1.353 410 S CA 0.244 58.410 58.200 -0.056 0.000 1.023 410 S CB 1.196 64.366 63.200 -0.049 0.000 0.876 410 S HN 1.649 nan 8.310 nan 0.000 0.540 411 A N 2.038 124.830 122.820 -0.046 0.000 2.466 411 A HA 0.394 4.714 4.320 0.000 0.000 0.238 411 A C 0.508 178.046 177.584 -0.076 0.000 1.074 411 A CA -0.184 51.828 52.037 -0.042 0.000 0.774 411 A CB 0.065 19.056 19.000 -0.016 0.000 1.015 411 A HN 0.617 nan 8.150 nan 0.000 0.498 412 S N -0.269 115.382 115.700 -0.082 0.000 2.480 412 S HA 0.509 4.979 4.470 0.000 0.000 0.286 412 S C 0.101 174.597 174.600 -0.173 0.000 1.180 412 S CA -0.400 57.700 58.200 -0.166 0.000 1.075 412 S CB 0.876 63.969 63.200 -0.179 0.000 0.996 412 S HN 1.081 nan 8.310 nan 0.000 0.487 413 V N 1.841 121.644 119.914 -0.185 0.000 2.966 413 V HA 0.639 4.759 4.120 0.000 0.000 0.317 413 V C -0.561 175.356 176.094 -0.296 0.000 1.070 413 V CA -0.648 61.599 62.300 -0.088 0.000 1.008 413 V CB 1.312 33.203 31.823 0.114 0.000 1.070 413 V HN 0.909 nan 8.190 nan 0.000 0.457 414 H N 3.015 122.169 119.070 0.139 0.000 2.607 414 H HA 0.426 4.982 4.556 0.000 0.000 0.248 414 H C -0.841 174.570 175.328 0.138 0.000 1.355 414 H CA -0.394 55.740 56.048 0.142 0.000 1.524 414 H CB 1.088 30.910 29.762 0.100 0.000 1.563 414 H HN 0.562 nan 8.280 nan 0.000 0.509 415 L N 3.736 125.087 121.223 0.213 0.000 2.416 415 L HA 0.209 4.549 4.340 0.000 0.000 0.272 415 L C -1.530 175.448 176.870 0.180 0.000 1.161 415 L CA -1.632 53.306 54.840 0.165 0.000 0.845 415 L CB 0.034 42.115 42.059 0.037 0.000 1.119 415 L HN 0.247 nan 8.230 nan 0.000 0.464 416 P HA 0.037 nan 4.420 nan 0.000 0.275 416 P C 0.071 177.486 177.300 0.193 0.000 1.270 416 P CA -0.450 62.768 63.100 0.197 0.000 0.791 416 P CB 0.847 32.672 31.700 0.209 0.000 1.089 417 D N -0.674 119.885 120.400 0.266 0.000 2.133 417 D HA -0.080 4.560 4.640 0.000 0.000 0.195 417 D C 0.557 177.017 176.300 0.266 0.000 0.997 417 D CA 1.644 55.887 54.000 0.406 0.000 0.840 417 D CB 0.011 41.134 40.800 0.538 0.000 0.947 417 D HN 0.510 nan 8.370 nan 0.000 0.452 418 A N -0.400 122.440 122.820 0.034 0.000 2.517 418 A HA 0.577 4.897 4.320 0.000 0.000 0.297 418 A C -1.099 176.256 177.584 -0.382 0.000 1.050 418 A CA -0.597 51.236 52.037 -0.341 0.000 0.694 418 A CB 1.202 19.773 19.000 -0.715 0.000 1.277 418 A HN 0.030 nan 8.150 nan 0.000 0.400 419 I N 2.893 123.175 120.570 -0.481 0.000 2.354 419 I HA 0.442 4.612 4.170 0.000 0.000 0.286 419 I C -0.901 174.938 176.117 -0.464 0.000 1.007 419 I CA -0.181 60.760 61.300 -0.599 0.000 1.167 419 I CB 1.027 38.595 38.000 -0.719 0.000 1.320 419 I HN 0.471 nan 8.210 nan 0.000 0.458 420 I N 5.704 126.007 120.570 -0.446 0.000 2.608 420 I HA 0.289 4.459 4.170 0.000 0.000 0.295 420 I C -0.663 175.291 176.117 -0.271 0.000 1.049 420 I CA -0.924 60.163 61.300 -0.354 0.000 1.063 420 I CB 1.946 39.634 38.000 -0.520 0.000 1.248 420 I HN 0.361 nan 8.210 nan 0.000 0.424 421 Y N 5.318 125.270 120.300 -0.581 0.000 2.377 421 Y HA 0.173 4.723 4.550 0.000 0.000 0.330 421 Y C 0.466 176.008 175.900 -0.598 0.000 1.108 421 Y CA 0.022 57.570 58.100 -0.920 0.000 1.308 421 Y CB 0.548 38.123 38.460 -1.476 0.000 1.216 421 Y HN 0.510 nan 8.280 nan 0.000 0.518 422 N N 3.805 121.925 118.700 -0.967 0.000 2.415 422 N HA -0.004 4.736 4.740 0.000 0.000 0.246 422 N C 0.565 175.711 175.510 -0.606 0.000 1.078 422 N CA 0.357 53.038 53.050 -0.615 0.000 0.942 422 N CB 0.869 39.064 38.487 -0.487 0.000 1.140 422 N HN 0.849 nan 8.380 nan 0.000 0.501 423 T N -0.260 114.144 114.554 -0.251 0.000 3.163 423 T HA 0.075 4.425 4.350 0.000 0.000 0.260 423 T C 1.436 176.133 174.700 -0.004 0.000 1.156 423 T CA 0.627 62.763 62.100 0.060 0.000 1.072 423 T CB 0.116 69.134 68.868 0.250 0.000 0.937 423 T HN 0.388 nan 8.240 nan 0.000 0.528 424 G N 0.958 109.560 108.800 -0.331 0.000 2.570 424 G HA2 0.053 4.013 3.960 0.000 0.000 0.209 424 G HA3 0.053 4.013 3.960 0.000 0.000 0.209 424 G C 1.216 175.934 174.900 -0.304 0.000 1.168 424 G CA 0.077 44.857 45.100 -0.533 0.000 0.831 424 G HN 0.389 nan 8.290 nan 0.000 0.564 425 D N 0.610 120.837 120.400 -0.288 0.000 2.347 425 D HA 0.059 4.699 4.640 0.000 0.000 0.213 425 D C 0.426 176.599 176.300 -0.213 0.000 0.985 425 D CA 0.281 54.151 54.000 -0.217 0.000 0.879 425 D CB 0.176 40.854 40.800 -0.203 0.000 0.919 425 D HN 0.145 nan 8.370 nan 0.000 0.526 426 Q N -0.049 119.574 119.800 -0.295 0.000 2.459 426 Q HA -0.221 4.119 4.340 0.000 0.000 0.322 426 Q C -0.117 175.669 176.000 -0.356 0.000 1.427 426 Q CA 0.862 56.514 55.803 -0.251 0.000 0.861 426 Q CB -1.884 26.876 28.738 0.037 0.000 1.137 426 Q HN 0.545 nan 8.270 nan 0.000 0.394 427 K N -1.798 118.146 120.400 -0.760 0.000 2.575 427 K HA 0.535 4.856 4.320 0.000 0.000 0.279 427 K C -1.435 174.771 176.600 -0.658 0.000 0.969 427 K CA -0.910 55.094 56.287 -0.470 0.000 0.868 427 K CB 1.068 33.448 32.500 -0.200 0.000 1.457 427 K HN 0.014 nan 8.250 nan 0.000 0.426 428 W N 2.145 123.328 121.300 -0.196 0.000 2.287 428 W HA 0.249 4.909 4.660 0.000 0.000 0.313 428 W C -0.356 176.016 176.519 -0.245 0.000 1.267 428 W CA 0.046 57.278 57.345 -0.188 0.000 1.201 428 W CB 1.000 30.461 29.460 0.002 0.000 1.196 428 W HN 0.369 nan 8.180 nan 0.000 0.536 429 D N 2.583 122.867 120.400 -0.192 0.000 2.256 429 D HA 0.165 4.805 4.640 0.000 0.000 0.240 429 D C -1.247 174.646 176.300 -0.678 0.000 1.062 429 D CA -0.588 53.128 54.000 -0.475 0.000 0.832 429 D CB 1.157 41.469 40.800 -0.813 0.000 1.135 429 D HN 0.245 nan 8.370 nan 0.000 0.484 430 Y N 1.921 121.935 120.300 -0.476 0.000 2.593 430 Y HA 0.225 4.775 4.550 0.000 0.000 0.331 430 Y C -0.283 175.469 175.900 -0.247 0.000 0.986 430 Y CA -0.752 57.166 58.100 -0.304 0.000 1.262 430 Y CB 0.430 38.812 38.460 -0.130 0.000 1.098 430 Y HN 0.271 nan 8.280 nan 0.000 0.506 431 Y N 2.924 123.249 120.300 0.042 0.000 2.425 431 Y HA 0.228 4.778 4.550 0.000 0.000 0.347 431 Y C 1.478 177.472 175.900 0.156 0.000 0.976 431 Y CA -0.692 57.471 58.100 0.105 0.000 1.190 431 Y CB 0.911 39.435 38.460 0.105 0.000 1.136 431 Y HN 0.572 nan 8.280 nan 0.000 0.517 432 R N 1.107 121.795 120.500 0.314 0.000 2.080 432 R HA -0.128 4.212 4.340 0.000 0.000 0.236 432 R C 0.390 176.849 176.300 0.265 0.000 1.137 432 R CA 1.311 57.556 56.100 0.242 0.000 0.943 432 R CB -0.011 30.399 30.300 0.183 0.000 0.846 432 R HN 0.431 nan 8.270 nan 0.000 0.431 433 S N -1.275 114.589 115.700 0.274 0.000 2.502 433 S HA 0.467 4.937 4.470 0.000 0.000 0.304 433 S C -2.003 172.803 174.600 0.344 0.000 1.097 433 S CA -0.693 57.662 58.200 0.259 0.000 1.045 433 S CB 0.893 64.184 63.200 0.151 0.000 1.019 433 S HN 0.304 nan 8.310 nan 0.000 0.481 434 W N 5.846 127.242 121.300 0.159 0.000 3.425 434 W HA 0.531 5.191 4.660 0.000 0.000 0.318 434 W C -2.950 173.697 176.519 0.214 0.000 1.201 434 W CA -1.417 55.993 57.345 0.110 0.000 1.212 434 W CB 1.266 30.792 29.460 0.110 0.000 1.355 434 W HN 0.485 nan 8.180 nan 0.000 0.515 435 P HA 0.261 nan 4.420 nan 0.000 0.278 435 P C 0.354 177.369 177.300 -0.475 0.000 1.258 435 P CA -0.222 62.164 63.100 -1.190 0.000 0.811 435 P CB 1.620 32.499 31.700 -1.368 0.000 1.063 436 S N -0.439 115.024 115.700 -0.394 0.000 2.446 436 S HA 0.073 4.543 4.470 0.000 0.000 0.225 436 S C 0.734 175.223 174.600 -0.186 0.000 1.016 436 S CA 0.310 58.392 58.200 -0.198 0.000 0.943 436 S CB -0.735 62.381 63.200 -0.139 0.000 0.786 436 S HN 0.383 nan 8.310 nan 0.000 0.508 437 V N 0.106 119.875 119.914 -0.241 0.000 2.540 437 V HA 0.883 5.003 4.120 0.000 0.000 0.302 437 V C -0.089 175.880 176.094 -0.208 0.000 1.035 437 V CA -0.895 61.297 62.300 -0.179 0.000 0.873 437 V CB 0.107 31.848 31.823 -0.136 0.000 0.992 437 V HN 0.784 nan 8.190 nan 0.000 0.428 438 C N 2.387 121.598 119.300 -0.148 0.000 3.251 438 C HA 0.575 5.035 4.460 0.000 0.000 0.376 438 C C 1.088 176.036 174.990 -0.070 0.000 1.791 438 C CA 0.072 59.010 59.018 -0.133 0.000 1.163 438 C CB 1.183 28.824 27.740 -0.165 0.000 2.128 438 C HN 0.964 nan 8.230 nan 0.000 0.429 439 E N 0.779 120.955 120.200 -0.041 0.000 2.028 439 E HA 0.126 4.476 4.350 0.000 0.000 0.190 439 E C 0.143 176.739 176.600 -0.006 0.000 0.984 439 E CA 1.253 57.654 56.400 0.002 0.000 0.800 439 E CB 0.122 29.853 29.700 0.051 0.000 0.758 439 E HN 0.626 nan 8.360 nan 0.000 0.448 440 S N -0.857 114.834 115.700 -0.016 0.000 2.614 440 S HA 0.286 4.756 4.470 0.000 0.000 0.275 440 S C -0.667 173.915 174.600 -0.029 0.000 1.161 440 S CA -0.631 57.559 58.200 -0.017 0.000 0.969 440 S CB 1.346 64.544 63.200 -0.004 0.000 1.059 440 S HN 0.385 nan 8.310 nan 0.000 0.482 441 N N -0.230 118.451 118.700 -0.030 0.000 3.016 441 N HA -0.137 4.603 4.740 0.000 0.000 0.223 441 N C -0.570 174.911 175.510 -0.047 0.000 0.922 441 N CA 0.516 53.545 53.050 -0.035 0.000 0.998 441 N CB -1.323 37.142 38.487 -0.036 0.000 1.064 441 N HN 0.498 nan 8.380 nan 0.000 0.566 442 C N -0.520 118.747 119.300 -0.056 0.000 2.399 442 C HA 0.377 4.838 4.460 0.000 0.000 0.348 442 C C 2.370 177.328 174.990 -0.054 0.000 1.183 442 C CA -0.366 58.609 59.018 -0.070 0.000 2.023 442 C CB 1.194 28.870 27.740 -0.106 0.000 2.361 442 C HN 0.392 nan 8.230 nan 0.000 0.521 443 T N 1.309 115.832 114.554 -0.052 0.000 2.624 443 T HA -0.050 4.300 4.350 0.000 0.000 0.268 443 T C 0.788 175.465 174.700 -0.038 0.000 1.041 443 T CA 2.147 64.225 62.100 -0.037 0.000 1.159 443 T CB -0.316 68.532 68.868 -0.033 0.000 0.863 443 T HN 0.930 nan 8.240 nan 0.000 0.434 444 G N -1.133 107.636 108.800 -0.052 0.000 2.714 444 G HA2 0.621 4.581 3.960 0.000 0.000 0.292 444 G HA3 0.621 4.581 3.960 0.000 0.000 0.292 444 G C -0.299 174.569 174.900 -0.054 0.000 1.308 444 G CA -0.262 44.810 45.100 -0.047 0.000 0.964 444 G HN 0.452 nan 8.290 nan 0.000 0.484 445 G N -1.447 107.329 108.800 -0.041 0.000 2.557 445 G HA2 0.559 4.519 3.960 0.000 0.000 0.302 445 G HA3 0.559 4.519 3.960 0.000 0.000 0.302 445 G C -0.195 174.680 174.900 -0.042 0.000 1.311 445 G CA -0.891 44.187 45.100 -0.037 0.000 1.030 445 G HN 0.599 nan 8.290 nan 0.000 0.509 446 L N -0.519 120.684 121.223 -0.033 0.000 2.439 446 L HA 0.352 4.693 4.340 0.000 0.000 0.261 446 L C 0.403 177.262 176.870 -0.018 0.000 1.153 446 L CA -0.251 54.569 54.840 -0.035 0.000 0.808 446 L CB 1.229 43.267 42.059 -0.036 0.000 1.126 446 L HN 0.299 nan 8.230 nan 0.000 0.460 447 T N 2.771 117.318 114.554 -0.012 0.000 2.770 447 T HA 0.325 4.675 4.350 0.000 0.000 0.297 447 T C -2.476 172.233 174.700 0.016 0.000 0.997 447 T CA -1.171 60.938 62.100 0.015 0.000 0.949 447 T CB 1.244 70.117 68.868 0.007 0.000 0.941 447 T HN 0.326 nan 8.240 nan 0.000 0.457 448 P HA 0.257 nan 4.420 nan 0.000 0.276 448 P C -0.785 176.289 177.300 -0.377 0.000 1.235 448 P CA -0.710 62.198 63.100 -0.321 0.000 0.772 448 P CB 0.812 32.164 31.700 -0.580 0.000 0.871 449 L N 5.703 126.677 121.223 -0.416 0.000 2.283 449 L HA 0.397 4.737 4.340 0.000 0.000 0.281 449 L C -0.862 175.723 176.870 -0.476 0.000 1.033 449 L CA -0.810 53.721 54.840 -0.515 0.000 0.848 449 L CB -0.131 41.600 42.059 -0.547 0.000 1.226 449 L HN 0.155 nan 8.230 nan 0.000 0.429 450 Y N 3.968 124.133 120.300 -0.224 0.000 2.314 450 Y HA 0.382 4.932 4.550 0.000 0.000 0.334 450 Y C 0.104 175.855 175.900 -0.249 0.000 1.266 450 Y CA -0.261 57.712 58.100 -0.212 0.000 1.391 450 Y CB 0.590 38.925 38.460 -0.209 0.000 1.306 450 Y HN 0.401 nan 8.280 nan 0.000 0.558 451 L N 1.863 123.033 121.223 -0.088 0.000 2.350 451 L HA 0.632 4.972 4.340 0.000 0.000 0.275 451 L C 0.208 176.968 176.870 -0.184 0.000 1.099 451 L CA 0.021 54.693 54.840 -0.280 0.000 0.808 451 L CB 0.772 42.499 42.059 -0.553 0.000 1.149 451 L HN 0.835 nan 8.230 nan 0.000 0.442 452 A N 1.858 124.535 122.820 -0.240 0.000 2.475 452 A HA 0.508 4.828 4.320 0.000 0.000 0.281 452 A C -0.841 176.439 177.584 -0.506 0.000 1.263 452 A CA -0.663 51.216 52.037 -0.264 0.000 0.776 452 A CB 0.739 19.675 19.000 -0.107 0.000 1.347 452 A HN 0.583 nan 8.150 nan 0.000 0.443 453 D N -0.634 119.575 120.400 -0.317 0.000 2.382 453 D HA 0.385 5.025 4.640 0.000 0.000 0.240 453 D C 1.152 177.369 176.300 -0.138 0.000 1.146 453 D CA 1.842 55.702 54.000 -0.233 0.000 0.897 453 D CB 0.782 41.566 40.800 -0.027 0.000 1.197 453 D HN 1.431 nan 8.370 nan 0.000 0.432 454 G N 2.668 111.410 108.800 -0.096 0.000 2.176 454 G HA2 -0.293 3.667 3.960 0.000 0.000 0.252 454 G HA3 -0.293 3.667 3.960 0.000 0.000 0.252 454 G C 0.439 175.375 174.900 0.062 0.000 1.024 454 G CA 0.527 45.634 45.100 0.011 0.000 0.755 454 G HN 0.853 nan 8.290 nan 0.000 0.507 455 H N -2.133 116.869 119.070 -0.114 0.000 2.655 455 H HA -0.169 4.387 4.556 0.000 0.000 0.313 455 H C 1.311 176.626 175.328 -0.021 0.000 1.141 455 H CA 1.694 57.633 56.048 -0.181 0.000 1.138 455 H CB -1.366 28.188 29.762 -0.348 0.000 1.446 455 H HN 1.389 nan 8.280 nan 0.000 0.415 456 G N -0.123 108.734 108.800 0.095 0.000 2.552 456 G HA2 0.637 4.597 3.960 0.000 0.000 0.324 456 G HA3 0.637 4.597 3.960 0.000 0.000 0.324 456 G C -0.235 174.687 174.900 0.036 0.000 1.217 456 G CA -0.844 44.289 45.100 0.055 0.000 0.989 456 G HN 0.124 nan 8.290 nan 0.000 0.490 457 L N 0.156 121.360 121.223 -0.033 0.000 2.362 457 L HA 0.718 5.058 4.340 0.000 0.000 0.271 457 L C -0.014 176.758 176.870 -0.162 0.000 1.002 457 L CA -0.755 54.012 54.840 -0.123 0.000 0.818 457 L CB 2.352 44.303 42.059 -0.180 0.000 1.298 457 L HN 0.567 nan 8.230 nan 0.000 0.420 458 S N 0.385 115.977 115.700 -0.180 0.000 2.536 458 S HA 0.499 4.969 4.470 0.000 0.000 0.271 458 S C 0.097 174.630 174.600 -0.113 0.000 1.134 458 S CA -0.505 57.620 58.200 -0.124 0.000 0.897 458 S CB 0.992 64.189 63.200 -0.005 0.000 1.094 458 S HN 0.470 nan 8.310 nan 0.000 0.473 459 F N 1.765 121.759 119.950 0.073 0.000 2.558 459 F HA 0.123 4.650 4.527 0.000 0.000 0.298 459 F C 1.517 177.443 175.800 0.211 0.000 1.119 459 F CA 0.393 58.449 58.000 0.094 0.000 1.451 459 F CB 0.271 39.294 39.000 0.038 0.000 1.091 459 F HN 0.398 nan 8.300 nan 0.000 0.563 460 T N -0.688 114.054 114.554 0.312 0.000 2.780 460 T HA 0.023 4.373 4.350 0.000 0.000 0.294 460 T C -0.485 174.298 174.700 0.138 0.000 0.949 460 T CA -0.381 61.853 62.100 0.224 0.000 1.074 460 T CB 0.197 69.143 68.868 0.131 0.000 0.910 460 T HN 0.116 nan 8.240 nan 0.000 0.501 461 H N 5.107 124.118 119.070 -0.098 0.000 3.226 461 H HA 0.151 4.707 4.556 0.000 0.000 0.260 461 H C -2.115 172.999 175.328 -0.356 0.000 0.967 461 H CA -1.362 54.313 56.048 -0.620 0.000 1.435 461 H CB 0.103 29.534 29.762 -0.553 0.000 1.533 461 H HN 0.278 nan 8.280 nan 0.000 0.525 462 P HA 0.021 nan 4.420 nan 0.000 0.266 462 P C -0.095 177.193 177.300 -0.020 0.000 1.215 462 P CA 0.113 63.138 63.100 -0.125 0.000 0.763 462 P CB 1.243 32.865 31.700 -0.129 0.000 0.806 463 A N 4.160 126.998 122.820 0.030 0.000 1.930 463 A HA 0.194 4.514 4.320 0.000 0.000 0.215 463 A C 1.228 178.814 177.584 0.002 0.000 1.176 463 A CA 0.900 52.956 52.037 0.032 0.000 0.632 463 A CB -0.948 18.053 19.000 0.002 0.000 0.819 463 A HN 0.591 nan 8.150 nan 0.000 0.445 464 A N 0.841 123.658 122.820 -0.004 0.000 2.545 464 A HA 0.329 4.649 4.320 0.000 0.000 0.253 464 A C -0.610 176.949 177.584 -0.041 0.000 1.074 464 A CA -0.026 52.004 52.037 -0.012 0.000 0.760 464 A CB -0.421 18.581 19.000 0.004 0.000 1.005 464 A HN 0.470 nan 8.150 nan 0.000 0.506 465 D N 1.054 121.418 120.400 -0.060 0.000 2.308 465 D HA 0.543 5.183 4.640 0.000 0.000 0.251 465 D C 0.587 176.708 176.300 -0.298 0.000 1.127 465 D CA 1.523 55.459 54.000 -0.106 0.000 0.876 465 D CB 1.045 41.844 40.800 -0.002 0.000 1.176 465 D HN 0.809 nan 8.370 nan 0.000 0.446 466 G N 0.277 108.623 108.800 -0.757 0.000 2.649 466 G HA2 0.734 4.694 3.960 0.000 0.000 0.290 466 G HA3 0.734 4.694 3.960 0.000 0.000 0.290 466 G C -1.837 172.282 174.900 -1.302 0.000 1.426 466 G CA -0.540 44.007 45.100 -0.922 0.000 0.794 466 G HN 0.604 nan 8.290 nan 0.000 0.483 467 A N 0.030 122.475 122.820 -0.625 0.000 2.574 467 A HA 0.779 5.099 4.320 0.000 0.000 0.297 467 A C -1.949 175.645 177.584 0.017 0.000 1.062 467 A CA -0.627 51.232 52.037 -0.296 0.000 0.686 467 A CB 2.087 20.973 19.000 -0.191 0.000 1.285 467 A HN 0.470 nan 8.150 nan 0.000 0.403 468 D N 1.204 121.690 120.400 0.142 0.000 2.593 468 D HA 0.543 5.183 4.640 0.000 0.000 0.251 468 D C -0.660 175.774 176.300 0.223 0.000 1.140 468 D CA 0.094 54.203 54.000 0.181 0.000 0.855 468 D CB 2.184 43.098 40.800 0.190 0.000 1.267 468 D HN 0.365 nan 8.370 nan 0.000 0.532 469 S N 1.367 117.177 115.700 0.184 0.000 2.608 469 S HA 0.651 5.121 4.470 0.000 0.000 0.291 469 S C -0.782 173.968 174.600 0.251 0.000 1.146 469 S CA -0.676 57.617 58.200 0.155 0.000 1.043 469 S CB 0.982 64.231 63.200 0.082 0.000 1.037 469 S HN 0.449 nan 8.310 nan 0.000 0.520 470 Y N -1.519 118.861 120.300 0.134 0.000 2.442 470 Y HA 0.664 5.214 4.550 0.000 0.000 0.330 470 Y C -1.353 174.614 175.900 0.113 0.000 1.100 470 Y CA -1.302 56.868 58.100 0.117 0.000 1.034 470 Y CB 0.110 38.645 38.460 0.125 0.000 1.285 470 Y HN 0.265 nan 8.280 nan 0.000 0.440 471 V N 3.709 123.730 119.914 0.178 0.000 2.432 471 V HA 0.328 4.448 4.120 0.000 0.000 0.271 471 V C 0.142 176.341 176.094 0.175 0.000 1.046 471 V CA -0.011 62.352 62.300 0.104 0.000 0.945 471 V CB 1.232 33.111 31.823 0.093 0.000 0.992 471 V HN 0.846 nan 8.190 nan 0.000 0.471 472 S N 3.999 119.768 115.700 0.115 0.000 2.434 472 S HA 0.247 4.717 4.470 0.000 0.000 0.318 472 S C -0.510 174.149 174.600 0.098 0.000 1.062 472 S CA -0.755 57.533 58.200 0.146 0.000 1.116 472 S CB 0.412 63.682 63.200 0.116 0.000 0.977 472 S HN 0.793 nan 8.310 nan 0.000 0.480 473 D N 5.431 125.904 120.400 0.122 0.000 2.359 473 D HA 0.419 5.059 4.640 0.000 0.000 0.230 473 D C -1.684 174.659 176.300 0.071 0.000 1.118 473 D CA -2.294 51.774 54.000 0.113 0.000 0.844 473 D CB 1.807 42.716 40.800 0.182 0.000 1.059 473 D HN 0.237 nan 8.370 nan 0.000 0.493 474 P HA -0.060 nan 4.420 nan 0.000 0.221 474 P C 0.802 177.996 177.300 -0.177 0.000 1.145 474 P CA 0.796 63.871 63.100 -0.043 0.000 0.795 474 P CB 0.250 31.991 31.700 0.069 0.000 0.775 475 A N -1.350 121.372 122.820 -0.164 0.000 2.066 475 A HA -0.108 4.212 4.320 0.000 0.000 0.218 475 A C 0.471 177.736 177.584 -0.532 0.000 1.157 475 A CA 1.104 52.928 52.037 -0.355 0.000 0.670 475 A CB -1.071 17.715 19.000 -0.357 0.000 0.804 475 A HN 0.292 nan 8.150 nan 0.000 0.453 476 H N -0.432 118.644 119.070 0.010 0.000 2.380 476 H HA 0.288 4.844 4.556 0.000 0.000 0.231 476 H C -2.798 172.594 175.328 0.107 0.000 1.415 476 H CA -1.758 54.346 56.048 0.092 0.000 1.433 476 H CB 0.554 30.372 29.762 0.094 0.000 1.544 476 H HN 0.272 nan 8.280 nan 0.000 0.503 477 P HA -0.003 nan 4.420 nan 0.000 0.272 477 P C 0.169 177.674 177.300 0.342 0.000 1.223 477 P CA -0.319 62.847 63.100 0.111 0.000 0.784 477 P CB 1.588 33.154 31.700 -0.223 0.000 0.923 478 V N 4.582 124.679 119.914 0.306 0.000 2.479 478 V HA 0.094 4.214 4.120 0.000 0.000 0.281 478 V C -1.921 174.455 176.094 0.469 0.000 1.031 478 V CA -1.306 61.193 62.300 0.331 0.000 1.038 478 V CB 0.052 32.022 31.823 0.245 0.000 0.981 478 V HN 0.538 nan 8.190 nan 0.000 0.478 479 P HA 0.045 nan 4.420 nan 0.000 0.266 479 P C 0.620 178.100 177.300 0.299 0.000 1.215 479 P CA -0.218 63.122 63.100 0.400 0.000 0.763 479 P CB 0.221 32.004 31.700 0.138 0.000 0.806 480 F N 5.909 125.902 119.950 0.073 0.000 2.202 480 F HA -0.080 4.447 4.527 0.000 0.000 0.301 480 F C 0.618 176.330 175.800 -0.146 0.000 1.082 480 F CA 0.632 58.540 58.000 -0.153 0.000 1.313 480 F CB -0.875 37.593 39.000 -0.887 0.000 1.024 480 F HN 0.168 nan 8.300 nan 0.000 0.495 481 I N -2.245 117.736 120.570 -0.981 0.000 2.969 481 I HA 0.490 4.660 4.170 0.000 0.000 0.307 481 I C 0.184 176.063 176.117 -0.396 0.000 1.149 481 I CA -1.179 59.690 61.300 -0.719 0.000 1.008 481 I CB 1.701 39.075 38.000 -1.044 0.000 1.232 481 I HN 0.016 nan 8.210 nan 0.000 0.435 482 S N 2.946 118.509 115.700 -0.229 0.000 2.554 482 S HA 0.124 4.594 4.470 0.000 0.000 0.290 482 S C 0.149 174.684 174.600 -0.108 0.000 1.309 482 S CA -0.051 58.070 58.200 -0.132 0.000 1.047 482 S CB 0.279 63.423 63.200 -0.093 0.000 0.828 482 S HN 0.726 nan 8.310 nan 0.000 0.509 483 R N 2.591 123.034 120.500 -0.094 0.000 2.459 483 R HA 0.511 4.851 4.340 0.000 0.000 0.281 483 R C -1.949 174.327 176.300 -0.040 0.000 1.050 483 R CA -1.617 54.439 56.100 -0.074 0.000 1.055 483 R CB 0.429 30.623 30.300 -0.177 0.000 1.045 483 R HN 0.644 nan 8.270 nan 0.000 0.495 484 P HA 0.310 nan 4.420 nan 0.000 0.283 484 P C -1.433 175.924 177.300 0.095 0.000 1.271 484 P CA -0.421 62.693 63.100 0.024 0.000 0.841 484 P CB 0.826 32.532 31.700 0.011 0.000 1.122 485 F N 0.372 120.282 119.950 -0.066 0.000 2.574 485 F HA 0.647 5.174 4.527 0.000 0.000 0.313 485 F C -1.686 174.039 175.800 -0.125 0.000 1.130 485 F CA -0.663 57.277 58.000 -0.099 0.000 0.936 485 F CB 1.625 40.535 39.000 -0.150 0.000 1.219 485 F HN 0.523 nan 8.300 nan 0.000 0.445 486 A N 5.514 127.707 122.820 -1.044 0.000 2.330 486 A HA 0.509 4.829 4.320 0.000 0.000 0.327 486 A C -0.078 176.686 177.584 -1.367 0.000 1.155 486 A CA -0.626 50.862 52.037 -0.915 0.000 0.803 486 A CB 0.385 19.154 19.000 -0.385 0.000 1.208 486 A HN 0.919 nan 8.150 nan 0.000 0.477 487 F N 1.594 121.039 119.950 -0.842 0.000 2.307 487 F HA -0.213 4.314 4.527 0.000 0.000 0.301 487 F C 2.471 178.047 175.800 -0.374 0.000 1.076 487 F CA 1.685 59.341 58.000 -0.574 0.000 1.383 487 F CB 0.162 38.939 39.000 -0.372 0.000 1.055 487 F HN 0.662 nan 8.300 nan 0.000 0.526 488 A N -0.741 121.990 122.820 -0.148 0.000 2.119 488 A HA -0.089 4.231 4.320 0.000 0.000 0.217 488 A C 1.239 178.792 177.584 -0.051 0.000 1.153 488 A CA 0.298 52.291 52.037 -0.074 0.000 0.692 488 A CB -0.472 18.493 19.000 -0.060 0.000 0.799 488 A HN 0.353 nan 8.150 nan 0.000 0.458 489 Q N 1.118 120.855 119.800 -0.104 0.000 3.004 489 Q HA 0.148 4.488 4.340 0.000 0.000 0.256 489 Q C 0.762 176.885 176.000 0.206 0.000 1.387 489 Q CA 0.021 55.840 55.803 0.026 0.000 0.962 489 Q CB 0.001 28.742 28.738 0.004 0.000 1.676 489 Q HN 0.641 nan 8.270 nan 0.000 0.568 490 S N 0.255 116.059 115.700 0.173 0.000 2.374 490 S HA -0.249 4.221 4.470 0.000 0.000 0.227 490 S C 2.028 176.783 174.600 0.259 0.000 1.037 490 S CA 1.681 60.036 58.200 0.259 0.000 1.024 490 S CB -0.193 63.101 63.200 0.156 0.000 0.861 490 S HN 0.649 nan 8.310 nan 0.000 0.456 491 S N 2.445 118.240 115.700 0.159 0.000 2.372 491 S HA -0.181 4.289 4.470 0.000 0.000 0.227 491 S C 1.857 176.542 174.600 0.142 0.000 1.044 491 S CA 1.052 59.321 58.200 0.114 0.000 1.050 491 S CB -0.399 62.844 63.200 0.073 0.000 0.901 491 S HN 0.402 nan 8.310 nan 0.000 0.447 492 R N -0.385 120.243 120.500 0.213 0.000 2.100 492 R HA 0.058 4.398 4.340 0.000 0.000 0.220 492 R C 2.121 178.590 176.300 0.281 0.000 1.091 492 R CA 0.721 56.953 56.100 0.220 0.000 0.986 492 R CB -0.435 30.039 30.300 0.289 0.000 0.888 492 R HN 0.705 nan 8.270 nan 0.000 0.444 493 W N 2.575 124.034 121.300 0.265 0.000 2.352 493 W HA -0.254 4.406 4.660 0.000 0.000 0.322 493 W C 1.420 178.108 176.519 0.283 0.000 1.208 493 W CA 1.407 58.925 57.345 0.289 0.000 1.286 493 W CB -0.226 29.441 29.460 0.345 0.000 1.167 493 W HN -0.035 nan 8.180 nan 0.000 0.469 494 K N 0.026 120.481 120.400 0.091 0.000 2.066 494 K HA -0.229 4.091 4.320 0.000 0.000 0.221 494 K C -1.079 175.431 176.600 -0.151 0.000 1.056 494 K CA 2.882 59.135 56.287 -0.057 0.000 0.950 494 K CB -1.543 31.004 32.500 0.078 0.000 0.726 494 K HN 0.194 nan 8.250 nan 0.000 0.456 495 P HA -0.017 nan 4.420 nan 0.000 0.254 495 P C 0.179 177.366 177.300 -0.187 0.000 1.620 495 P CA -0.135 62.874 63.100 -0.151 0.000 1.050 495 P CB -0.500 31.137 31.700 -0.104 0.000 1.539 496 W N 0.079 121.173 121.300 -0.343 0.000 2.421 496 W HA -0.056 4.604 4.660 0.000 0.000 0.270 496 W C 0.330 176.688 176.519 -0.269 0.000 1.233 496 W CA 0.115 57.244 57.345 -0.361 0.000 1.226 496 W CB -1.232 27.940 29.460 -0.480 0.000 1.121 496 W HN -0.124 nan 8.180 nan 0.000 0.579 497 L N 2.021 122.669 121.223 -0.959 0.000 2.552 497 L HA -0.105 4.235 4.340 0.000 0.000 0.227 497 L C 2.043 178.635 176.870 -0.463 0.000 1.146 497 L CA 0.836 55.130 54.840 -0.909 0.000 0.858 497 L CB -0.226 41.436 42.059 -0.662 0.000 0.969 497 L HN -0.001 nan 8.230 nan 0.000 0.451 498 V N -5.358 114.279 119.914 -0.463 0.000 3.477 498 V HA 0.193 4.313 4.120 0.000 0.000 0.297 498 V C 0.902 176.923 176.094 -0.121 0.000 1.433 498 V CA -0.477 61.552 62.300 -0.452 0.000 1.052 498 V CB -0.057 31.316 31.823 -0.751 0.000 0.895 498 V HN 0.109 nan 8.190 nan 0.000 0.438 499 Q N 1.868 121.616 119.800 -0.086 0.000 2.421 499 Q HA 0.187 4.527 4.340 0.000 0.000 0.255 499 Q C -0.151 175.814 176.000 -0.059 0.000 1.013 499 Q CA 0.260 56.064 55.803 0.002 0.000 0.895 499 Q CB 0.663 29.382 28.738 -0.032 0.000 1.271 499 Q HN 0.514 nan 8.270 nan 0.000 0.460 500 D N 1.318 121.561 120.400 -0.261 0.000 2.488 500 D HA -0.078 4.562 4.640 0.000 0.000 0.238 500 D C 0.125 176.266 176.300 -0.265 0.000 1.138 500 D CA 0.301 53.913 54.000 -0.646 0.000 0.873 500 D CB 0.750 41.063 40.800 -0.812 0.000 1.183 500 D HN 0.211 nan 8.370 nan 0.000 0.458 501 Q N 3.239 122.916 119.800 -0.205 0.000 2.204 501 Q HA 0.115 4.455 4.340 0.000 0.000 0.209 501 Q C 1.354 177.313 176.000 -0.069 0.000 0.861 501 Q CA -0.095 55.673 55.803 -0.058 0.000 0.971 501 Q CB 0.374 29.124 28.738 0.020 0.000 1.095 501 Q HN 0.475 nan 8.270 nan 0.000 0.486 502 R N 0.585 121.009 120.500 -0.127 0.000 2.090 502 R HA -0.086 4.254 4.340 0.000 0.000 0.228 502 R C 1.935 178.196 176.300 -0.066 0.000 1.110 502 R CA 0.882 56.923 56.100 -0.098 0.000 0.973 502 R CB 0.211 30.439 30.300 -0.121 0.000 0.869 502 R HN 0.342 nan 8.270 nan 0.000 0.440 503 E N 0.685 120.849 120.200 -0.061 0.000 2.038 503 E HA -0.217 4.133 4.350 0.000 0.000 0.195 503 E C 1.887 178.477 176.600 -0.015 0.000 1.000 503 E CA 1.387 57.764 56.400 -0.038 0.000 0.803 503 E CB -0.025 29.653 29.700 -0.037 0.000 0.750 503 E HN 0.323 nan 8.360 nan 0.000 0.448 504 A N 1.528 124.353 122.820 0.008 0.000 1.883 504 A HA -0.273 4.047 4.320 0.000 0.000 0.217 504 A C 2.085 179.663 177.584 -0.010 0.000 1.186 504 A CA 1.943 53.997 52.037 0.029 0.000 0.624 504 A CB -0.793 18.252 19.000 0.075 0.000 0.822 504 A HN 0.526 nan 8.150 nan 0.000 0.444 505 E N 0.334 120.518 120.200 -0.026 0.000 2.130 505 E HA -0.243 4.107 4.350 0.000 0.000 0.196 505 E C 2.012 178.574 176.600 -0.063 0.000 0.998 505 E CA 1.787 58.155 56.400 -0.053 0.000 0.806 505 E CB -0.215 29.451 29.700 -0.057 0.000 0.738 505 E HN 0.666 nan 8.360 nan 0.000 0.459 506 S N -0.063 115.607 115.700 -0.050 0.000 2.474 506 S HA -0.081 4.389 4.470 0.000 0.000 0.235 506 S C 0.764 175.340 174.600 -0.040 0.000 0.997 506 S CA -0.044 58.127 58.200 -0.049 0.000 0.949 506 S CB -0.206 62.968 63.200 -0.042 0.000 0.766 506 S HN 0.154 nan 8.310 nan 0.000 0.517 507 R N 1.611 122.093 120.500 -0.029 0.000 2.531 507 R HA 0.312 4.652 4.340 0.000 0.000 0.273 507 R C -1.670 174.620 176.300 -0.016 0.000 1.070 507 R CA -1.743 54.349 56.100 -0.013 0.000 1.112 507 R CB 0.178 30.484 30.300 0.011 0.000 1.049 507 R HN 0.198 nan 8.270 nan 0.000 0.508 508 P HA -0.068 nan 4.420 nan 0.000 0.231 508 P C -0.245 177.104 177.300 0.081 0.000 1.168 508 P CA 0.885 64.002 63.100 0.029 0.000 0.779 508 P CB 0.216 31.936 31.700 0.034 0.000 0.844 509 D N -0.413 120.037 120.400 0.084 0.000 2.370 509 D HA 0.108 4.748 4.640 0.000 0.000 0.230 509 D C 0.053 176.332 176.300 -0.034 0.000 1.143 509 D CA -0.605 53.493 54.000 0.164 0.000 0.834 509 D CB -0.340 40.570 40.800 0.183 0.000 0.944 509 D HN -0.027 nan 8.370 nan 0.000 0.504 510 V N 0.167 119.982 119.914 -0.163 0.000 2.760 510 V HA 0.361 4.481 4.120 0.000 0.000 0.309 510 V C -0.654 175.256 176.094 -0.306 0.000 1.077 510 V CA -1.173 60.934 62.300 -0.322 0.000 0.910 510 V CB 2.569 34.309 31.823 -0.140 0.000 1.008 510 V HN -0.007 nan 8.190 nan 0.000 0.424 511 V N 4.228 123.918 119.914 -0.373 0.000 2.417 511 V HA 0.714 4.834 4.120 0.000 0.000 0.291 511 V C -0.079 175.956 176.094 -0.098 0.000 1.024 511 V CA 0.187 62.393 62.300 -0.156 0.000 0.861 511 V CB 2.181 34.029 31.823 0.040 0.000 0.985 511 V HN 1.050 nan 8.190 nan 0.000 0.436 512 T N 6.787 121.219 114.554 -0.203 0.000 2.829 512 T HA 0.680 5.030 4.350 0.000 0.000 0.280 512 T C -1.434 173.083 174.700 -0.306 0.000 0.999 512 T CA -0.157 61.855 62.100 -0.147 0.000 0.983 512 T CB 1.194 69.989 68.868 -0.121 0.000 0.968 512 T HN 0.529 nan 8.240 nan 0.000 0.446 513 Y N 1.359 121.680 120.300 0.035 0.000 2.442 513 Y HA 0.546 5.096 4.550 0.000 0.000 0.344 513 Y C 0.261 176.145 175.900 -0.027 0.000 0.976 513 Y CA -1.126 56.982 58.100 0.013 0.000 1.040 513 Y CB 1.866 40.307 38.460 -0.031 0.000 1.228 513 Y HN 0.717 nan 8.280 nan 0.000 0.451 514 E N -0.303 119.955 120.200 0.097 0.000 2.356 514 E HA 0.543 4.893 4.350 0.000 0.000 0.275 514 E C -1.084 175.512 176.600 -0.007 0.000 0.904 514 E CA -1.217 55.198 56.400 0.025 0.000 0.757 514 E CB 1.961 31.670 29.700 0.015 0.000 1.232 514 E HN 0.527 nan 8.360 nan 0.000 0.442 515 T N -0.149 114.376 114.554 -0.048 0.000 2.754 515 T HA 0.198 4.548 4.350 0.000 0.000 0.286 515 T C 0.438 175.132 174.700 -0.009 0.000 0.997 515 T CA -0.770 61.296 62.100 -0.056 0.000 0.982 515 T CB 0.774 69.582 68.868 -0.101 0.000 1.027 515 T HN 0.476 nan 8.240 nan 0.000 0.529 516 E N 0.098 120.302 120.200 0.006 0.000 2.397 516 E HA 0.224 4.574 4.350 0.000 0.000 0.254 516 E C -0.028 176.596 176.600 0.040 0.000 1.231 516 E CA -0.438 55.977 56.400 0.023 0.000 0.954 516 E CB 0.595 30.313 29.700 0.029 0.000 1.024 516 E HN 0.495 nan 8.360 nan 0.000 0.481 517 V N 2.364 122.305 119.914 0.045 0.000 2.529 517 V HA -0.084 4.036 4.120 0.000 0.000 0.292 517 V C 0.503 176.644 176.094 0.078 0.000 1.028 517 V CA -0.194 62.143 62.300 0.062 0.000 1.074 517 V CB -0.173 31.679 31.823 0.048 0.000 0.958 517 V HN 0.353 nan 8.190 nan 0.000 0.481 518 L N 4.847 126.137 121.223 0.111 0.000 2.499 518 L HA 0.135 4.475 4.340 0.000 0.000 0.273 518 L C 1.202 178.133 176.870 0.101 0.000 1.195 518 L CA 0.670 55.582 54.840 0.120 0.000 0.882 518 L CB 0.025 42.183 42.059 0.164 0.000 1.133 518 L HN 0.662 nan 8.230 nan 0.000 0.483 519 D N 0.856 121.306 120.400 0.084 0.000 2.423 519 D HA 0.086 4.726 4.640 0.000 0.000 0.208 519 D C 0.026 176.362 176.300 0.060 0.000 1.068 519 D CA 0.493 54.532 54.000 0.065 0.000 0.860 519 D CB 1.008 41.840 40.800 0.053 0.000 0.992 519 D HN 0.451 nan 8.370 nan 0.000 0.504 520 E N 1.115 121.356 120.200 0.067 0.000 2.290 520 E HA 0.295 4.645 4.350 0.000 0.000 0.274 520 E C -2.511 174.131 176.600 0.070 0.000 0.889 520 E CA -1.841 54.592 56.400 0.054 0.000 0.760 520 E CB 2.735 32.456 29.700 0.035 0.000 1.206 520 E HN -0.055 nan 8.360 nan 0.000 0.419 521 P HA 0.111 nan 4.420 nan 0.000 0.269 521 P C -0.295 177.055 177.300 0.082 0.000 1.209 521 P CA -0.304 62.838 63.100 0.070 0.000 0.776 521 P CB 0.723 32.437 31.700 0.023 0.000 0.876 522 V N 4.564 124.573 119.914 0.158 0.000 2.334 522 V HA 0.276 4.396 4.120 0.000 0.000 0.281 522 V C 0.777 176.996 176.094 0.209 0.000 1.016 522 V CA -0.627 61.785 62.300 0.188 0.000 0.832 522 V CB 0.753 32.752 31.823 0.294 0.000 0.999 522 V HN 0.448 nan 8.190 nan 0.000 0.439 523 R N 3.896 124.452 120.500 0.093 0.000 2.221 523 R HA 0.604 4.944 4.340 0.000 0.000 0.327 523 R C -0.649 175.702 176.300 0.085 0.000 1.033 523 R CA -0.450 55.682 56.100 0.054 0.000 0.887 523 R CB 1.516 31.822 30.300 0.010 0.000 1.057 523 R HN 0.585 nan 8.270 nan 0.000 0.455 524 V N -0.799 119.177 119.914 0.103 0.000 2.540 524 V HA 0.615 4.735 4.120 0.000 0.000 0.302 524 V C -0.230 175.907 176.094 0.072 0.000 1.035 524 V CA -0.662 61.706 62.300 0.113 0.000 0.873 524 V CB 1.924 33.882 31.823 0.225 0.000 0.992 524 V HN 0.690 nan 8.190 nan 0.000 0.428 525 S N 2.892 118.618 115.700 0.045 0.000 2.571 525 S HA 0.865 5.335 4.470 0.000 0.000 0.238 525 S C -0.033 174.580 174.600 0.021 0.000 1.153 525 S CA 0.532 58.791 58.200 0.099 0.000 1.141 525 S CB 0.354 63.593 63.200 0.065 0.000 1.133 525 S HN 2.146 nan 8.310 nan 0.000 0.464 526 G N 1.798 110.647 108.800 0.082 0.000 2.356 526 G HA2 0.241 4.201 3.960 0.000 0.000 0.266 526 G HA3 0.241 4.201 3.960 0.000 0.000 0.266 526 G C -1.845 173.005 174.900 -0.083 0.000 1.312 526 G CA -0.261 44.703 45.100 -0.227 0.000 0.922 526 G HN 0.785 nan 8.290 nan 0.000 0.480 527 V N 2.798 122.607 119.914 -0.175 0.000 2.328 527 V HA 0.507 4.627 4.120 0.000 0.000 0.278 527 V C -2.008 174.044 176.094 -0.070 0.000 1.021 527 V CA -1.091 61.157 62.300 -0.087 0.000 0.838 527 V CB 1.352 33.109 31.823 -0.111 0.000 0.999 527 V HN 0.533 nan 8.190 nan 0.000 0.447 528 P HA 0.329 nan 4.420 nan 0.000 0.275 528 P C -0.857 176.394 177.300 -0.082 0.000 1.228 528 P CA -0.205 62.867 63.100 -0.046 0.000 0.786 528 P CB 1.003 32.697 31.700 -0.009 0.000 0.927 529 V N 1.541 121.364 119.914 -0.152 0.000 2.555 529 V HA 0.600 4.720 4.120 0.000 0.000 0.302 529 V C 0.232 176.079 176.094 -0.410 0.000 1.038 529 V CA -1.026 61.102 62.300 -0.286 0.000 0.887 529 V CB 1.528 33.148 31.823 -0.337 0.000 0.991 529 V HN 0.634 nan 8.190 nan 0.000 0.434 530 A N 2.381 124.812 122.820 -0.648 0.000 2.343 530 A HA 0.444 4.764 4.320 0.000 0.000 0.305 530 A C -0.032 177.122 177.584 -0.716 0.000 1.308 530 A CA -0.157 51.427 52.037 -0.755 0.000 0.949 530 A CB -0.238 17.985 19.000 -1.294 0.000 1.148 530 A HN 0.853 nan 8.150 nan 0.000 0.545 531 D N 2.789 122.946 120.400 -0.405 0.000 2.564 531 D HA 0.329 4.969 4.640 0.000 0.000 0.226 531 D C -0.634 175.554 176.300 -0.188 0.000 1.149 531 D CA -0.071 53.804 54.000 -0.209 0.000 0.994 531 D CB 0.010 40.805 40.800 -0.008 0.000 1.029 531 D HN 0.325 nan 8.370 nan 0.000 0.517 532 L N 3.113 124.174 121.223 -0.270 0.000 2.290 532 L HA 0.401 4.741 4.340 0.000 0.000 0.284 532 L C -1.035 175.691 176.870 -0.240 0.000 1.078 532 L CA -0.098 54.626 54.840 -0.193 0.000 0.815 532 L CB 0.383 42.331 42.059 -0.184 0.000 1.162 532 L HN 0.169 nan 8.230 nan 0.000 0.435 533 F N 5.233 125.198 119.950 0.025 0.000 2.371 533 F HA 0.608 5.135 4.527 0.000 0.000 0.343 533 F C 0.496 176.267 175.800 -0.048 0.000 1.150 533 F CA -0.343 57.665 58.000 0.014 0.000 1.220 533 F CB 0.652 39.636 39.000 -0.027 0.000 1.475 533 F HN 0.592 nan 8.300 nan 0.000 0.521 534 A N 1.306 124.105 122.820 -0.035 0.000 2.311 534 A HA 0.949 5.269 4.320 0.000 0.000 0.334 534 A C -0.712 176.842 177.584 -0.050 0.000 1.139 534 A CA -0.497 51.374 52.037 -0.277 0.000 0.830 534 A CB 1.045 19.306 19.000 -1.231 0.000 1.234 534 A HN 0.582 nan 8.150 nan 0.000 0.483 535 A N 0.254 123.093 122.820 0.032 0.000 2.414 535 A HA 0.819 5.139 4.320 0.000 0.000 0.306 535 A C -0.328 177.423 177.584 0.277 0.000 1.054 535 A CA -0.111 52.029 52.037 0.172 0.000 0.724 535 A CB 1.581 20.653 19.000 0.121 0.000 1.267 535 A HN 1.484 nan 8.150 nan 0.000 0.418 536 T N -0.456 114.282 114.554 0.306 0.000 2.900 536 T HA 0.457 4.807 4.350 0.000 0.000 0.295 536 T C 1.270 176.053 174.700 0.138 0.000 1.044 536 T CA 0.343 62.593 62.100 0.250 0.000 0.995 536 T CB 1.506 70.552 68.868 0.297 0.000 1.072 536 T HN 1.559 nan 8.240 nan 0.000 0.473 537 S N 2.931 118.681 115.700 0.083 0.000 2.383 537 S HA 0.185 4.655 4.470 0.000 0.000 0.227 537 S C 1.235 175.869 174.600 0.056 0.000 1.026 537 S CA 0.911 59.146 58.200 0.059 0.000 0.981 537 S CB -0.887 62.337 63.200 0.040 0.000 0.818 537 S HN 1.013 nan 8.310 nan 0.000 0.472 538 G N 0.291 109.124 108.800 0.054 0.000 2.563 538 G HA2 0.399 4.359 3.960 0.000 0.000 0.283 538 G HA3 0.399 4.359 3.960 0.000 0.000 0.283 538 G C 0.680 175.621 174.900 0.069 0.000 1.309 538 G CA 0.177 45.306 45.100 0.048 0.000 1.022 538 G HN 0.456 nan 8.290 nan 0.000 0.501 539 T N -2.992 111.606 114.554 0.073 0.000 3.086 539 T HA 0.267 4.617 4.350 0.000 0.000 0.250 539 T C -0.016 174.769 174.700 0.143 0.000 1.074 539 T CA 0.147 62.303 62.100 0.094 0.000 0.988 539 T CB 0.241 69.165 68.868 0.093 0.000 0.988 539 T HN 0.370 nan 8.240 nan 0.000 0.530 540 D N -0.615 119.849 120.400 0.107 0.000 2.599 540 D HA 0.690 5.330 4.640 0.000 0.000 0.252 540 D C -1.457 174.826 176.300 -0.028 0.000 1.232 540 D CA -0.283 53.769 54.000 0.087 0.000 0.819 540 D CB 2.346 43.188 40.800 0.070 0.000 1.401 540 D HN 0.044 nan 8.370 nan 0.000 0.429 541 S N 0.174 115.800 115.700 -0.123 0.000 2.611 541 S HA 0.420 4.890 4.470 0.000 0.000 0.270 541 S C -2.092 172.153 174.600 -0.592 0.000 1.131 541 S CA -0.735 57.207 58.200 -0.429 0.000 0.826 541 S CB 1.483 64.263 63.200 -0.699 0.000 1.095 541 S HN 0.386 nan 8.310 nan 0.000 0.461 542 D N 0.474 120.433 120.400 -0.734 0.000 2.350 542 D HA 0.579 5.219 4.640 0.000 0.000 0.245 542 D C -1.482 174.361 176.300 -0.761 0.000 1.036 542 D CA -0.044 53.629 54.000 -0.545 0.000 0.848 542 D CB 0.980 41.629 40.800 -0.253 0.000 1.307 542 D HN 0.423 nan 8.370 nan 0.000 0.469 543 W N 1.765 123.014 121.300 -0.085 0.000 2.393 543 W HA 0.480 5.140 4.660 0.000 0.000 0.315 543 W C -0.816 175.646 176.519 -0.094 0.000 1.009 543 W CA -0.952 56.337 57.345 -0.092 0.000 1.313 543 W CB 1.247 30.592 29.460 -0.193 0.000 1.269 543 W HN -0.050 nan 8.180 nan 0.000 0.420 544 V N 4.759 124.699 119.914 0.043 0.000 2.383 544 V HA 0.431 4.551 4.120 0.000 0.000 0.275 544 V C -0.128 175.951 176.094 -0.025 0.000 1.036 544 V CA -0.819 61.350 62.300 -0.218 0.000 0.889 544 V CB 1.129 32.519 31.823 -0.722 0.000 0.985 544 V HN 0.279 nan 8.190 nan 0.000 0.459 545 V N 6.079 126.049 119.914 0.094 0.000 2.487 545 V HA 0.518 4.638 4.120 0.000 0.000 0.298 545 V C -0.234 175.937 176.094 0.129 0.000 1.028 545 V CA -0.949 61.432 62.300 0.135 0.000 0.860 545 V CB 1.812 33.746 31.823 0.187 0.000 0.991 545 V HN 0.864 nan 8.190 nan 0.000 0.427 546 K N 4.756 125.217 120.400 0.102 0.000 2.376 546 K HA 0.665 4.985 4.320 0.000 0.000 0.257 546 K C -1.306 175.366 176.600 0.119 0.000 0.939 546 K CA -0.887 55.487 56.287 0.145 0.000 0.809 546 K CB 2.840 35.438 32.500 0.164 0.000 1.121 546 K HN 0.459 nan 8.250 nan 0.000 0.425 547 L N 4.524 125.826 121.223 0.132 0.000 2.265 547 L HA 0.460 4.800 4.340 0.000 0.000 0.289 547 L C -1.176 175.794 176.870 0.167 0.000 1.033 547 L CA -0.261 54.652 54.840 0.121 0.000 0.814 547 L CB 0.458 42.589 42.059 0.119 0.000 1.203 547 L HN 0.585 nan 8.230 nan 0.000 0.423 548 I N 3.858 124.530 120.570 0.169 0.000 2.693 548 I HA 0.383 4.553 4.170 0.000 0.000 0.303 548 I C -0.789 175.525 176.117 0.327 0.000 1.025 548 I CA -0.600 60.824 61.300 0.206 0.000 1.086 548 I CB 1.996 40.084 38.000 0.147 0.000 1.268 548 I HN 0.505 nan 8.210 nan 0.000 0.440 549 D N 5.044 125.660 120.400 0.360 0.000 2.441 549 D HA 0.263 4.903 4.640 0.000 0.000 0.231 549 D C -0.897 175.644 176.300 0.402 0.000 1.073 549 D CA -0.365 53.948 54.000 0.522 0.000 0.850 549 D CB 1.304 42.324 40.800 0.368 0.000 1.062 549 D HN 0.105 nan 8.370 nan 0.000 0.524 550 V N 4.806 124.929 119.914 0.348 0.000 2.470 550 V HA 0.095 4.215 4.120 0.000 0.000 0.276 550 V C 0.970 177.207 176.094 0.237 0.000 1.040 550 V CA -0.535 61.907 62.300 0.236 0.000 1.008 550 V CB 0.750 32.658 31.823 0.142 0.000 0.990 550 V HN 0.485 nan 8.190 nan 0.000 0.477 551 Q N 5.101 124.996 119.800 0.159 0.000 2.443 551 Q HA 0.271 4.611 4.340 0.000 0.000 0.232 551 Q C -2.264 173.604 176.000 -0.219 0.000 1.026 551 Q CA -1.847 53.909 55.803 -0.078 0.000 0.924 551 Q CB 0.089 28.858 28.738 0.052 0.000 1.256 551 Q HN 0.444 nan 8.270 nan 0.000 0.519 552 P HA -0.091 nan 4.420 nan 0.000 0.264 552 P C 0.037 177.283 177.300 -0.090 0.000 1.179 552 P CA 0.534 63.501 63.100 -0.221 0.000 0.763 552 P CB 0.408 31.992 31.700 -0.194 0.000 0.806 553 A N 3.883 126.673 122.820 -0.050 0.000 1.958 553 A HA -0.158 4.162 4.320 0.000 0.000 0.221 553 A C 0.938 178.511 177.584 -0.019 0.000 1.178 553 A CA 1.813 53.836 52.037 -0.023 0.000 0.642 553 A CB -0.578 18.413 19.000 -0.014 0.000 0.816 553 A HN 0.499 nan 8.150 nan 0.000 0.453 554 M N -0.477 119.107 119.600 -0.026 0.000 2.386 554 M HA 0.306 4.786 4.480 0.000 0.000 0.293 554 M C -1.063 175.221 176.300 -0.027 0.000 1.120 554 M CA -0.077 55.211 55.300 -0.019 0.000 0.909 554 M CB 1.956 34.548 32.600 -0.013 0.000 1.661 554 M HN 0.236 nan 8.290 nan 0.000 0.452 555 T N -0.875 113.665 114.554 -0.023 0.000 3.241 555 T HA 0.414 4.764 4.350 0.000 0.000 0.387 555 T C -2.119 172.570 174.700 -0.019 0.000 1.451 555 T CA -1.357 60.728 62.100 -0.025 0.000 1.363 555 T CB 0.641 69.490 68.868 -0.032 0.000 1.074 555 T HN 0.372 nan 8.240 nan 0.000 0.598 556 P HA -0.033 nan 4.420 nan 0.000 0.222 556 P C 0.540 177.831 177.300 -0.014 0.000 1.147 556 P CA 0.865 63.957 63.100 -0.012 0.000 0.790 556 P CB 0.294 31.989 31.700 -0.009 0.000 0.780 557 D N -0.577 119.814 120.400 -0.016 0.000 2.234 557 D HA -0.053 4.587 4.640 0.000 0.000 0.205 557 D C 0.430 176.714 176.300 -0.026 0.000 0.962 557 D CA 1.330 55.319 54.000 -0.018 0.000 0.855 557 D CB -0.208 40.582 40.800 -0.015 0.000 0.951 557 D HN 0.160 nan 8.370 nan 0.000 0.500 558 D N -1.502 118.879 120.400 -0.031 0.000 2.586 558 D HA 0.153 4.793 4.640 0.000 0.000 0.254 558 D C -2.083 174.196 176.300 -0.036 0.000 1.248 558 D CA -1.820 52.154 54.000 -0.042 0.000 0.843 558 D CB 1.253 42.016 40.800 -0.062 0.000 1.332 558 D HN -0.228 nan 8.370 nan 0.000 0.523 559 P HA -0.237 nan 4.420 nan 0.000 0.218 559 P C 1.332 178.627 177.300 -0.008 0.000 1.154 559 P CA 1.750 64.841 63.100 -0.015 0.000 0.872 559 P CB 0.095 31.787 31.700 -0.013 0.000 0.790 560 K N -1.065 119.327 120.400 -0.013 0.000 2.286 560 K HA -0.142 4.178 4.320 0.000 0.000 0.203 560 K C 1.375 177.996 176.600 0.034 0.000 1.045 560 K CA 1.558 57.848 56.287 0.005 0.000 0.935 560 K CB -0.623 31.869 32.500 -0.013 0.000 0.737 560 K HN 0.066 nan 8.250 nan 0.000 0.460 561 M N 1.417 121.010 119.600 -0.012 0.000 2.561 561 M HA 0.136 4.616 4.480 0.000 0.000 0.238 561 M C 0.589 176.926 176.300 0.062 0.000 1.131 561 M CA 0.064 55.359 55.300 -0.009 0.000 1.046 561 M CB -0.209 32.321 32.600 -0.118 0.000 1.532 561 M HN 0.225 nan 8.290 nan 0.000 0.497 562 G N 0.559 109.384 108.800 0.041 0.000 2.255 562 G HA2 0.303 4.263 3.960 0.000 0.000 0.267 562 G HA3 0.303 4.263 3.960 0.000 0.000 0.267 562 G C 1.106 176.035 174.900 0.048 0.000 1.177 562 G CA 0.383 45.499 45.100 0.026 0.000 1.027 562 G HN 0.725 nan 8.290 nan 0.000 0.437 563 G N 1.677 110.499 108.800 0.036 0.000 2.179 563 G HA2 -0.317 3.644 3.960 0.000 0.000 0.257 563 G HA3 -0.317 3.644 3.960 0.000 0.000 0.257 563 G C 0.343 175.288 174.900 0.076 0.000 1.010 563 G CA 0.577 45.699 45.100 0.037 0.000 0.736 563 G HN 1.087 nan 8.290 nan 0.000 0.513 564 Y N 1.028 121.321 120.300 -0.013 0.000 2.544 564 Y HA 0.387 4.937 4.550 0.000 0.000 0.330 564 Y C 0.814 176.731 175.900 0.027 0.000 1.136 564 Y CA 0.156 58.255 58.100 -0.001 0.000 1.417 564 Y CB 0.575 39.028 38.460 -0.011 0.000 1.229 564 Y HN 0.317 nan 8.280 nan 0.000 0.532 565 E N 6.631 126.724 120.200 -0.179 0.000 1.936 565 E HA 0.159 4.509 4.350 0.000 0.000 0.267 565 E C -1.344 175.248 176.600 -0.013 0.000 1.076 565 E CA -0.490 55.884 56.400 -0.043 0.000 0.870 565 E CB 0.358 30.011 29.700 -0.077 0.000 1.093 565 E HN 0.448 nan 8.360 nan 0.000 0.411 566 L N 5.835 127.212 121.223 0.258 0.000 2.255 566 L HA 0.388 4.728 4.340 0.000 0.000 0.289 566 L C -2.512 174.485 176.870 0.212 0.000 1.046 566 L CA -2.193 52.833 54.840 0.311 0.000 0.816 566 L CB 0.607 42.889 42.059 0.371 0.000 1.197 566 L HN 0.176 nan 8.230 nan 0.000 0.427 567 P HA 0.057 nan 4.420 nan 0.000 0.282 567 P C 0.600 178.072 177.300 0.287 0.000 1.274 567 P CA -0.216 63.002 63.100 0.196 0.000 0.770 567 P CB 1.303 33.106 31.700 0.172 0.000 0.867 568 V N 0.904 120.929 119.914 0.187 0.000 3.174 568 V HA 0.215 4.335 4.120 0.000 0.000 0.254 568 V C 0.699 176.797 176.094 0.007 0.000 1.120 568 V CA 0.629 62.982 62.300 0.089 0.000 1.114 568 V CB -0.227 31.452 31.823 -0.240 0.000 0.756 568 V HN 0.551 nan 8.190 nan 0.000 0.467 569 S N 1.024 116.779 115.700 0.091 0.000 2.584 569 S HA 0.776 5.246 4.470 0.000 0.000 0.280 569 S C -0.977 173.732 174.600 0.183 0.000 1.162 569 S CA -0.628 57.629 58.200 0.095 0.000 0.951 569 S CB 1.265 64.502 63.200 0.061 0.000 1.108 569 S HN 0.702 nan 8.310 nan 0.000 0.464 570 M N 2.523 122.275 119.600 0.254 0.000 2.490 570 M HA 0.748 5.228 4.480 0.000 0.000 0.286 570 M C -2.056 174.571 176.300 0.544 0.000 1.185 570 M CA -0.681 54.846 55.300 0.377 0.000 0.912 570 M CB 2.092 34.957 32.600 0.441 0.000 1.744 570 M HN 0.482 nan 8.290 nan 0.000 0.494 571 D N 0.983 121.727 120.400 0.573 0.000 2.639 571 D HA 0.672 5.312 4.640 0.000 0.000 0.271 571 D C -2.015 174.547 176.300 0.437 0.000 1.254 571 D CA -0.364 54.037 54.000 0.669 0.000 0.810 571 D CB 3.080 44.272 40.800 0.654 0.000 1.351 571 D HN 0.866 nan 8.370 nan 0.000 0.427 572 I N 1.098 121.891 120.570 0.371 0.000 2.693 572 I HA 0.640 4.810 4.170 0.000 0.000 0.303 572 I C -1.430 174.716 176.117 0.048 0.000 1.025 572 I CA -0.938 60.388 61.300 0.043 0.000 1.086 572 I CB 1.455 39.342 38.000 -0.188 0.000 1.268 572 I HN 0.321 nan 8.210 nan 0.000 0.440 573 F N 6.407 126.184 119.950 -0.287 0.000 2.536 573 F HA 0.496 5.023 4.527 0.000 0.000 0.322 573 F C -0.394 175.319 175.800 -0.146 0.000 1.144 573 F CA -0.834 56.939 58.000 -0.379 0.000 0.924 573 F CB 1.174 39.501 39.000 -1.122 0.000 1.181 573 F HN 0.391 nan 8.300 nan 0.000 0.438 574 R N 3.992 124.367 120.500 -0.209 0.000 2.291 574 R HA 0.255 4.595 4.340 0.000 0.000 0.333 574 R C 1.402 177.842 176.300 0.232 0.000 1.082 574 R CA 0.734 56.844 56.100 0.017 0.000 0.948 574 R CB 0.598 30.977 30.300 0.132 0.000 1.009 574 R HN 0.991 nan 8.270 nan 0.000 0.460 575 G N 4.914 113.881 108.800 0.277 0.000 2.545 575 G HA2 -0.393 3.567 3.960 0.000 0.000 0.222 575 G HA3 -0.393 3.567 3.960 0.000 0.000 0.222 575 G C 1.277 176.423 174.900 0.410 0.000 1.126 575 G CA 1.114 46.526 45.100 0.521 0.000 0.754 575 G HN 0.770 nan 8.290 nan 0.000 0.583 576 R N -0.424 120.136 120.500 0.100 0.000 2.241 576 R HA -0.070 4.270 4.340 0.000 0.000 0.224 576 R C 1.061 177.289 176.300 -0.120 0.000 1.101 576 R CA 1.242 57.317 56.100 -0.042 0.000 0.995 576 R CB -0.564 29.622 30.300 -0.190 0.000 0.870 576 R HN 0.493 nan 8.270 nan 0.000 0.463 577 Y N 0.485 120.952 120.300 0.278 0.000 2.625 577 Y HA 0.296 4.846 4.550 0.000 0.000 0.285 577 Y C 2.197 178.223 175.900 0.210 0.000 1.168 577 Y CA -0.617 57.606 58.100 0.206 0.000 1.250 577 Y CB 0.115 38.738 38.460 0.272 0.000 1.130 577 Y HN -0.004 nan 8.280 nan 0.000 0.526 578 R N 1.198 121.959 120.500 0.435 0.000 2.083 578 R HA -0.168 4.172 4.340 0.000 0.000 0.237 578 R C 1.651 177.952 176.300 0.001 0.000 1.137 578 R CA 1.726 57.985 56.100 0.264 0.000 0.951 578 R CB 0.121 30.449 30.300 0.046 0.000 0.851 578 R HN 0.291 nan 8.270 nan 0.000 0.434 579 K N -1.046 119.348 120.400 -0.010 0.000 2.098 579 K HA -0.011 4.309 4.320 0.000 0.000 0.203 579 K C -0.032 176.526 176.600 -0.070 0.000 1.051 579 K CA 0.670 56.924 56.287 -0.055 0.000 0.957 579 K CB 0.238 32.716 32.500 -0.036 0.000 0.738 579 K HN 0.084 nan 8.250 nan 0.000 0.447 580 D N -1.558 118.820 120.400 -0.035 0.000 2.977 580 D HA 0.121 4.761 4.640 0.000 0.000 0.220 580 D C -0.034 176.322 176.300 0.093 0.000 1.267 580 D CA -0.482 53.503 54.000 -0.025 0.000 0.884 580 D CB 0.974 41.807 40.800 0.055 0.000 1.667 580 D HN -0.234 nan 8.370 nan 0.000 0.536 581 F N 1.801 121.894 119.950 0.238 0.000 2.234 581 F HA 0.063 4.590 4.527 0.000 0.000 0.299 581 F C 2.424 178.247 175.800 0.038 0.000 1.087 581 F CA 1.087 59.160 58.000 0.123 0.000 1.340 581 F CB -0.443 38.502 39.000 -0.093 0.000 1.031 581 F HN 0.495 nan 8.300 nan 0.000 0.500 582 A N -0.993 121.967 122.820 0.233 0.000 2.067 582 A HA -0.002 4.318 4.320 0.000 0.000 0.217 582 A C 0.966 178.643 177.584 0.154 0.000 1.156 582 A CA 0.742 52.846 52.037 0.111 0.000 0.683 582 A CB -0.302 18.733 19.000 0.058 0.000 0.808 582 A HN 0.115 nan 8.150 nan 0.000 0.455 583 K N 0.961 121.478 120.400 0.195 0.000 2.592 583 K HA 0.317 4.637 4.320 0.000 0.000 0.212 583 K C -2.990 173.734 176.600 0.207 0.000 1.013 583 K CA -2.401 53.988 56.287 0.170 0.000 1.034 583 K CB 1.641 34.200 32.500 0.098 0.000 1.292 583 K HN 0.132 nan 8.250 nan 0.000 0.521 584 P HA -0.016 nan 4.420 nan 0.000 0.268 584 P C -0.850 176.558 177.300 0.180 0.000 1.205 584 P CA 0.048 63.242 63.100 0.157 0.000 0.771 584 P CB 0.882 32.645 31.700 0.105 0.000 0.858 585 E N 1.505 121.762 120.200 0.095 0.000 2.321 585 E HA 0.500 4.850 4.350 0.000 0.000 0.281 585 E C -1.103 175.291 176.600 -0.343 0.000 0.910 585 E CA -0.986 55.311 56.400 -0.172 0.000 0.770 585 E CB 1.719 31.359 29.700 -0.100 0.000 1.225 585 E HN 0.454 nan 8.360 nan 0.000 0.417 586 A N 4.396 126.648 122.820 -0.946 0.000 2.561 586 A HA 0.241 4.561 4.320 0.000 0.000 0.234 586 A C -0.037 177.427 177.584 -0.200 0.000 1.055 586 A CA 0.152 51.798 52.037 -0.651 0.000 0.756 586 A CB 0.004 18.545 19.000 -0.766 0.000 0.986 586 A HN 0.577 nan 8.150 nan 0.000 0.505 587 L N 1.483 122.690 121.223 -0.026 0.000 2.399 587 L HA 0.323 4.663 4.340 0.000 0.000 0.266 587 L C 0.179 177.064 176.870 0.024 0.000 1.114 587 L CA -0.642 54.226 54.840 0.046 0.000 0.804 587 L CB 0.665 42.824 42.059 0.167 0.000 1.146 587 L HN 0.665 nan 8.230 nan 0.000 0.451 588 Q N 2.903 122.720 119.800 0.027 0.000 2.307 588 Q HA 0.249 4.589 4.340 0.000 0.000 0.259 588 Q C -2.279 173.751 176.000 0.049 0.000 0.998 588 Q CA -1.472 54.343 55.803 0.019 0.000 0.923 588 Q CB 0.503 29.245 28.738 0.006 0.000 1.196 588 Q HN 0.224 nan 8.270 nan 0.000 0.416 589 P HA -0.166 nan 4.420 nan 0.000 0.263 589 P C -0.411 176.922 177.300 0.055 0.000 1.175 589 P CA 0.563 63.697 63.100 0.056 0.000 0.761 589 P CB 0.456 32.179 31.700 0.039 0.000 0.794 590 D N -0.958 119.485 120.400 0.070 0.000 3.059 590 D HA -0.208 4.432 4.640 0.000 0.000 0.213 590 D C 0.121 176.458 176.300 0.062 0.000 1.144 590 D CA 1.573 55.612 54.000 0.064 0.000 0.975 590 D CB -1.064 39.763 40.800 0.045 0.000 1.125 590 D HN 0.521 nan 8.370 nan 0.000 0.412 591 A N 0.205 123.066 122.820 0.068 0.000 2.301 591 A HA 0.520 4.840 4.320 0.000 0.000 0.312 591 A C 0.527 178.155 177.584 0.074 0.000 1.182 591 A CA -0.115 51.954 52.037 0.053 0.000 0.826 591 A CB 0.953 19.974 19.000 0.036 0.000 1.134 591 A HN -0.011 nan 8.150 nan 0.000 0.501 592 T N 4.034 118.620 114.554 0.053 0.000 2.775 592 T HA 0.334 4.684 4.350 0.000 0.000 0.287 592 T C 0.048 174.791 174.700 0.071 0.000 0.909 592 T CA 0.454 62.597 62.100 0.071 0.000 1.081 592 T CB -0.848 68.035 68.868 0.026 0.000 0.891 592 T HN 0.395 nan 8.240 nan 0.000 0.544 593 L N 3.232 124.491 121.223 0.060 0.000 2.343 593 L HA 0.390 4.730 4.340 0.000 0.000 0.275 593 L C 0.783 177.532 176.870 -0.201 0.000 1.056 593 L CA -0.918 53.868 54.840 -0.089 0.000 0.804 593 L CB 1.081 43.027 42.059 -0.188 0.000 1.203 593 L HN 0.622 nan 8.230 nan 0.000 0.440 594 H N 2.718 121.533 119.070 -0.426 0.000 2.652 594 H HA 0.303 4.859 4.556 0.000 0.000 0.298 594 H C -1.485 173.409 175.328 -0.724 0.000 1.076 594 H CA -0.539 55.138 56.048 -0.618 0.000 1.360 594 H CB 0.646 30.135 29.762 -0.455 0.000 1.421 594 H HN 0.394 nan 8.280 nan 0.000 0.464 595 Y N 3.038 122.996 120.300 -0.571 0.000 2.446 595 Y HA 0.231 4.781 4.550 0.000 0.000 0.338 595 Y C -0.260 175.296 175.900 -0.573 0.000 1.055 595 Y CA -0.803 56.964 58.100 -0.555 0.000 1.101 595 Y CB 1.594 39.807 38.460 -0.411 0.000 1.221 595 Y HN 0.699 nan 8.280 nan 0.000 0.460 596 H N 3.696 122.520 119.070 -0.409 0.000 3.239 596 H HA 0.466 5.022 4.556 0.000 0.000 0.320 596 H C -1.747 173.528 175.328 -0.088 0.000 1.074 596 H CA -0.946 54.903 56.048 -0.332 0.000 1.553 596 H CB 0.393 29.942 29.762 -0.355 0.000 1.752 596 H HN 0.506 nan 8.280 nan 0.000 0.513 597 F N 0.867 120.640 119.950 -0.294 0.000 2.626 597 F HA 0.602 5.129 4.527 0.000 0.000 0.311 597 F C -0.657 175.173 175.800 0.051 0.000 1.088 597 F CA -1.194 56.770 58.000 -0.060 0.000 0.949 597 F CB 1.065 39.935 39.000 -0.217 0.000 1.322 597 F HN 0.303 nan 8.300 nan 0.000 0.461 598 T N 1.124 115.956 114.554 0.464 0.000 2.856 598 T HA 0.668 5.018 4.350 0.000 0.000 0.292 598 T C -0.356 174.609 174.700 0.442 0.000 0.980 598 T CA -0.637 61.649 62.100 0.310 0.000 1.091 598 T CB 0.960 69.997 68.868 0.282 0.000 0.936 598 T HN 0.689 nan 8.240 nan 0.000 0.503 599 L N 2.887 124.251 121.223 0.235 0.000 2.352 599 L HA 0.503 4.843 4.340 0.000 0.000 0.269 599 L C -2.229 174.742 176.870 0.168 0.000 1.034 599 L CA -3.028 51.972 54.840 0.266 0.000 0.806 599 L CB 0.892 43.053 42.059 0.170 0.000 1.244 599 L HN 0.367 nan 8.230 nan 0.000 0.447 600 P HA -0.062 nan 4.420 nan 0.000 0.264 600 P C -0.602 176.701 177.300 0.006 0.000 1.179 600 P CA 0.021 63.163 63.100 0.070 0.000 0.763 600 P CB 0.401 32.137 31.700 0.061 0.000 0.806 601 A N 3.033 125.840 122.820 -0.021 0.000 2.520 601 A HA 0.382 4.702 4.320 0.000 0.000 0.235 601 A C 0.275 177.832 177.584 -0.046 0.000 1.065 601 A CA 0.089 52.133 52.037 0.011 0.000 0.764 601 A CB -0.328 18.737 19.000 0.109 0.000 1.002 601 A HN 0.470 nan 8.150 nan 0.000 0.502 602 V N -0.344 119.578 119.914 0.013 0.000 2.823 602 V HA 0.842 4.962 4.120 0.000 0.000 0.312 602 V C -0.527 175.586 176.094 0.031 0.000 1.072 602 V CA -0.846 61.431 62.300 -0.038 0.000 0.937 602 V CB 2.114 33.932 31.823 -0.007 0.000 1.013 602 V HN 0.861 nan 8.190 nan 0.000 0.430 603 N N 1.203 119.875 118.700 -0.045 0.000 2.751 603 N HA 0.402 5.142 4.740 0.000 0.000 0.234 603 N C -1.166 174.304 175.510 -0.066 0.000 1.403 603 N CA -0.202 52.837 53.050 -0.017 0.000 0.747 603 N CB 0.438 38.877 38.487 -0.081 0.000 1.326 603 N HN 1.162 nan 8.380 nan 0.000 0.532 604 H N -0.475 118.486 119.070 -0.181 0.000 2.949 604 H HA 0.780 5.336 4.556 0.000 0.000 0.356 604 H C -1.489 173.665 175.328 -0.289 0.000 1.212 604 H CA -0.666 55.215 56.048 -0.279 0.000 1.136 604 H CB 1.620 31.154 29.762 -0.379 0.000 1.869 604 H HN -0.074 nan 8.280 nan 0.000 0.556 605 V N 3.084 122.365 119.914 -1.055 0.000 2.525 605 V HA 0.241 4.361 4.120 0.000 0.000 0.299 605 V C -0.919 174.716 176.094 -0.765 0.000 1.034 605 V CA -0.628 61.293 62.300 -0.631 0.000 0.863 605 V CB 1.245 32.835 31.823 -0.389 0.000 0.999 605 V HN 0.622 nan 8.190 nan 0.000 0.423 606 F N 3.868 123.733 119.950 -0.142 0.000 2.515 606 F HA 0.592 5.119 4.527 0.000 0.000 0.353 606 F C 1.164 176.880 175.800 -0.141 0.000 1.213 606 F CA -0.137 57.818 58.000 -0.075 0.000 1.194 606 F CB 0.480 39.542 39.000 0.104 0.000 1.488 606 F HN 0.618 nan 8.300 nan 0.000 0.619 607 A N 3.692 126.360 122.820 -0.253 0.000 2.366 607 A HA 0.228 4.548 4.320 0.000 0.000 0.250 607 A C 0.629 178.310 177.584 0.160 0.000 1.099 607 A CA -0.625 51.356 52.037 -0.093 0.000 0.794 607 A CB 0.339 19.246 19.000 -0.156 0.000 1.056 607 A HN 0.627 nan 8.150 nan 0.000 0.499 608 K N -0.498 119.999 120.400 0.162 0.000 2.485 608 K HA 0.305 4.625 4.320 0.000 0.000 0.277 608 K C 1.219 177.968 176.600 0.248 0.000 0.990 608 K CA 1.154 57.546 56.287 0.175 0.000 0.994 608 K CB 0.126 32.690 32.500 0.107 0.000 0.906 608 K HN 1.394 nan 8.250 nan 0.000 0.488 609 G N 1.450 110.355 108.800 0.175 0.000 2.241 609 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 609 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 609 G C 0.226 175.169 174.900 0.072 0.000 0.998 609 G CA -0.127 45.033 45.100 0.099 0.000 0.621 609 G HN 0.751 nan 8.290 nan 0.000 0.519 610 H N 0.424 119.562 119.070 0.113 0.000 2.490 610 H HA 0.704 5.260 4.556 0.000 0.000 0.354 610 H C 0.605 176.015 175.328 0.136 0.000 1.365 610 H CA 0.007 56.146 56.048 0.152 0.000 1.413 610 H CB 0.775 30.677 29.762 0.234 0.000 1.631 610 H HN 0.362 nan 8.280 nan 0.000 0.607 611 R N 0.209 120.884 120.500 0.291 0.000 2.740 611 R HA 0.444 4.784 4.340 0.000 0.000 0.273 611 R C -0.852 175.510 176.300 0.103 0.000 0.998 611 R CA -0.750 55.437 56.100 0.145 0.000 0.900 611 R CB 1.927 32.276 30.300 0.082 0.000 1.223 611 R HN 0.391 nan 8.270 nan 0.000 0.466 612 I N 2.306 122.811 120.570 -0.108 0.000 2.396 612 I HA 0.402 4.572 4.170 0.000 0.000 0.292 612 I C -0.091 175.951 176.117 -0.125 0.000 0.999 612 I CA -0.462 60.647 61.300 -0.318 0.000 1.310 612 I CB 1.436 39.040 38.000 -0.660 0.000 1.404 612 I HN 0.444 nan 8.210 nan 0.000 0.496 613 M N 6.473 126.047 119.600 -0.043 0.000 2.393 613 M HA 0.585 5.065 4.480 0.000 0.000 0.299 613 M C -1.963 174.358 176.300 0.035 0.000 1.103 613 M CA -0.601 54.710 55.300 0.018 0.000 0.910 613 M CB 2.314 34.948 32.600 0.057 0.000 1.659 613 M HN 0.308 nan 8.290 nan 0.000 0.445 614 V N 3.995 123.949 119.914 0.066 0.000 2.540 614 V HA 0.488 4.608 4.120 0.000 0.000 0.302 614 V C -0.853 175.330 176.094 0.149 0.000 1.035 614 V CA -0.547 61.801 62.300 0.080 0.000 0.873 614 V CB 1.867 33.702 31.823 0.020 0.000 0.992 614 V HN 0.867 nan 8.190 nan 0.000 0.428 615 Q N 3.821 123.687 119.800 0.109 0.000 2.353 615 Q HA 0.712 5.052 4.340 0.000 0.000 0.268 615 Q C -1.425 174.612 176.000 0.061 0.000 1.045 615 Q CA -0.509 55.346 55.803 0.087 0.000 0.811 615 Q CB 2.533 31.303 28.738 0.054 0.000 1.305 615 Q HN 0.685 nan 8.270 nan 0.000 0.447 616 I N 2.914 123.507 120.570 0.039 0.000 2.498 616 I HA 0.413 4.583 4.170 0.000 0.000 0.290 616 I C -0.484 175.533 176.117 -0.167 0.000 1.032 616 I CA -0.740 60.574 61.300 0.024 0.000 1.073 616 I CB 1.834 39.931 38.000 0.160 0.000 1.251 616 I HN 0.670 nan 8.210 nan 0.000 0.426 617 Q N 2.811 122.557 119.800 -0.091 0.000 2.626 617 Q HA 0.557 4.897 4.340 0.000 0.000 0.300 617 Q C -1.152 174.897 176.000 0.082 0.000 0.988 617 Q CA -0.929 54.796 55.803 -0.129 0.000 0.761 617 Q CB 2.088 30.736 28.738 -0.150 0.000 1.494 617 Q HN 0.442 nan 8.270 nan 0.000 0.439 618 S N 0.173 115.948 115.700 0.126 0.000 2.754 618 S HA 0.297 4.767 4.470 0.000 0.000 0.247 618 S C -0.544 174.035 174.600 -0.036 0.000 1.031 618 S CA 0.252 58.447 58.200 -0.007 0.000 1.014 618 S CB 0.352 63.520 63.200 -0.052 0.000 0.918 618 S HN 0.635 nan 8.310 nan 0.000 0.519 619 S N -0.273 115.434 115.700 0.012 0.000 2.625 619 S HA 0.755 5.225 4.470 0.000 0.000 0.271 619 S C -2.193 172.564 174.600 0.261 0.000 1.161 619 S CA -0.628 57.642 58.200 0.117 0.000 0.820 619 S CB 1.395 64.669 63.200 0.123 0.000 1.137 619 S HN 0.236 nan 8.310 nan 0.000 0.470 620 W N 1.561 122.998 121.300 0.230 0.000 1.086 620 W HA 0.429 5.089 4.660 0.000 0.000 0.321 620 W C -1.791 174.906 176.519 0.297 0.000 0.919 620 W CA -1.724 55.795 57.345 0.291 0.000 1.252 620 W CB 0.414 30.067 29.460 0.322 0.000 1.343 620 W HN 0.632 nan 8.180 nan 0.000 0.461 621 F N 4.162 124.292 119.950 0.300 0.000 2.399 621 F HA 0.452 4.979 4.527 0.000 0.000 0.342 621 F C -1.112 174.835 175.800 0.244 0.000 1.106 621 F CA -2.196 55.870 58.000 0.111 0.000 1.196 621 F CB 1.039 40.021 39.000 -0.030 0.000 1.163 621 F HN -0.095 nan 8.300 nan 0.000 0.547 622 P HA 0.044 nan 4.420 nan 0.000 0.269 622 P C 1.208 177.953 177.300 -0.925 0.000 1.478 622 P CA 0.168 62.536 63.100 -1.221 0.000 1.045 622 P CB 0.289 31.229 31.700 -1.268 0.000 1.512 623 L N -0.099 120.517 121.223 -1.011 0.000 2.017 623 L HA 0.013 4.353 4.340 0.000 0.000 0.208 623 L C 0.238 176.533 176.870 -0.959 0.000 1.073 623 L CA 1.793 55.915 54.840 -1.197 0.000 0.745 623 L CB -1.086 39.746 42.059 -2.045 0.000 0.894 623 L HN -0.117 nan 8.230 nan 0.000 0.432 624 Y N 0.731 120.812 120.300 -0.364 0.000 2.360 624 Y HA 0.317 4.867 4.550 0.000 0.000 0.337 624 Y C -0.006 175.939 175.900 0.075 0.000 1.039 624 Y CA -1.938 56.076 58.100 -0.143 0.000 1.109 624 Y CB 0.489 38.972 38.460 0.037 0.000 1.201 624 Y HN 0.202 nan 8.280 nan 0.000 0.458 625 D N 2.424 122.990 120.400 0.277 0.000 2.443 625 D HA 0.027 4.667 4.640 0.000 0.000 0.239 625 D C -0.422 176.102 176.300 0.375 0.000 1.136 625 D CA -0.410 53.841 54.000 0.419 0.000 0.879 625 D CB 0.719 41.830 40.800 0.517 0.000 1.195 625 D HN 0.497 nan 8.370 nan 0.000 0.443 626 R N 1.667 122.362 120.500 0.325 0.000 2.489 626 R HA 0.074 4.414 4.340 0.000 0.000 0.287 626 R C 0.654 177.101 176.300 0.245 0.000 1.053 626 R CA -0.459 55.746 56.100 0.175 0.000 1.036 626 R CB 0.135 30.406 30.300 -0.048 0.000 0.966 626 R HN 0.441 nan 8.270 nan 0.000 0.432 627 N N 4.751 123.526 118.700 0.124 0.000 2.442 627 N HA 0.036 4.776 4.740 0.000 0.000 0.265 627 N C -1.665 173.863 175.510 0.030 0.000 1.138 627 N CA -1.826 51.246 53.050 0.036 0.000 0.956 627 N CB 1.088 39.546 38.487 -0.049 0.000 1.067 627 N HN 0.352 nan 8.380 nan 0.000 0.474 628 P HA -0.124 nan 4.420 nan 0.000 0.231 628 P C -0.010 177.222 177.300 -0.113 0.000 1.158 628 P CA 0.799 63.713 63.100 -0.310 0.000 0.763 628 P CB 0.278 31.586 31.700 -0.654 0.000 0.805 629 Q N -2.239 117.515 119.800 -0.076 0.000 2.284 629 Q HA -0.207 4.133 4.340 0.000 0.000 0.205 629 Q C 0.222 176.208 176.000 -0.023 0.000 0.682 629 Q CA 1.416 57.189 55.803 -0.049 0.000 1.401 629 Q CB -1.269 27.454 28.738 -0.025 0.000 1.643 629 Q HN 0.316 nan 8.270 nan 0.000 0.717 630 K N 0.223 120.594 120.400 -0.049 0.000 2.376 630 K HA 0.332 4.652 4.320 0.000 0.000 0.257 630 K C -1.088 175.512 176.600 -0.001 0.000 0.939 630 K CA -0.762 55.521 56.287 -0.006 0.000 0.809 630 K CB 0.685 33.166 32.500 -0.033 0.000 1.121 630 K HN 0.030 nan 8.250 nan 0.000 0.425 631 F N 5.688 125.600 119.950 -0.063 0.000 2.571 631 F HA 0.102 4.629 4.527 0.000 0.000 0.384 631 F C -0.353 175.407 175.800 -0.066 0.000 1.058 631 F CA 0.205 58.165 58.000 -0.067 0.000 1.200 631 F CB 0.425 39.395 39.000 -0.050 0.000 1.077 631 F HN 0.191 nan 8.300 nan 0.000 0.558 632 V N 4.793 124.300 119.914 -0.678 0.000 2.823 632 V HA 0.472 4.592 4.120 0.000 0.000 0.312 632 V C -2.204 173.484 176.094 -0.677 0.000 1.072 632 V CA -1.959 60.059 62.300 -0.469 0.000 0.937 632 V CB 1.490 33.149 31.823 -0.274 0.000 1.013 632 V HN 0.520 nan 8.190 nan 0.000 0.430 633 P HA -0.109 nan 4.420 nan 0.000 0.216 633 P C 0.205 177.368 177.300 -0.229 0.000 1.154 633 P CA 1.633 64.595 63.100 -0.230 0.000 0.865 633 P CB 0.106 31.760 31.700 -0.077 0.000 0.789 634 N N -1.457 117.132 118.700 -0.185 0.000 2.558 634 N HA 0.178 4.918 4.740 0.000 0.000 0.285 634 N C 0.448 175.897 175.510 -0.101 0.000 1.112 634 N CA -0.378 52.590 53.050 -0.136 0.000 0.857 634 N CB 0.473 38.915 38.487 -0.075 0.000 1.376 634 N HN -0.227 nan 8.380 nan 0.000 0.526 635 I N 2.241 122.707 120.570 -0.174 0.000 2.567 635 I HA -0.181 3.989 4.170 0.000 0.000 0.257 635 I C 1.435 177.600 176.117 0.081 0.000 1.184 635 I CA 1.046 62.279 61.300 -0.112 0.000 1.451 635 I CB -0.175 37.739 38.000 -0.143 0.000 1.089 635 I HN 0.513 nan 8.210 nan 0.000 0.441 636 F N 0.696 120.742 119.950 0.160 0.000 2.269 636 F HA -0.201 4.326 4.527 0.000 0.000 0.301 636 F C 1.356 177.329 175.800 0.288 0.000 1.082 636 F CA 0.564 58.734 58.000 0.284 0.000 1.360 636 F CB 0.024 39.241 39.000 0.362 0.000 1.041 636 F HN 0.123 nan 8.300 nan 0.000 0.512 637 D N 0.409 121.035 120.400 0.377 0.000 2.525 637 D HA 0.195 4.835 4.640 0.000 0.000 0.229 637 D C 0.430 176.828 176.300 0.163 0.000 1.202 637 D CA 0.083 54.246 54.000 0.272 0.000 0.828 637 D CB -0.088 40.858 40.800 0.243 0.000 1.008 637 D HN -0.009 nan 8.370 nan 0.000 0.493 638 A N 1.064 123.970 122.820 0.143 0.000 2.498 638 A HA 0.162 4.482 4.320 0.000 0.000 0.239 638 A C 0.765 178.430 177.584 0.135 0.000 1.068 638 A CA 0.185 52.231 52.037 0.015 0.000 0.766 638 A CB 0.669 19.546 19.000 -0.204 0.000 1.003 638 A HN -0.135 nan 8.150 nan 0.000 0.497 639 K N 2.348 122.789 120.400 0.069 0.000 2.123 639 K HA 0.347 4.667 4.320 0.000 0.000 0.248 639 K C -2.060 174.683 176.600 0.237 0.000 0.969 639 K CA -2.093 54.281 56.287 0.145 0.000 0.882 639 K CB 0.772 33.320 32.500 0.080 0.000 1.080 639 K HN 0.230 nan 8.250 nan 0.000 0.441 640 P HA -0.238 nan 4.420 nan 0.000 0.218 640 P C 0.950 178.377 177.300 0.211 0.000 1.154 640 P CA 1.818 65.055 63.100 0.229 0.000 0.872 640 P CB 0.172 31.942 31.700 0.116 0.000 0.790 641 A N -0.817 122.078 122.820 0.125 0.000 2.067 641 A HA -0.174 4.146 4.320 0.000 0.000 0.219 641 A C 1.904 179.524 177.584 0.060 0.000 1.158 641 A CA 1.643 53.730 52.037 0.084 0.000 0.661 641 A CB -1.092 17.941 19.000 0.054 0.000 0.801 641 A HN 0.099 nan 8.150 nan 0.000 0.452 642 D N -0.841 119.570 120.400 0.018 0.000 2.117 642 D HA -0.070 4.570 4.640 0.000 0.000 0.198 642 D C -0.119 176.086 176.300 -0.158 0.000 0.982 642 D CA 0.780 54.710 54.000 -0.118 0.000 0.828 642 D CB -0.393 40.251 40.800 -0.260 0.000 0.967 642 D HN 0.543 nan 8.370 nan 0.000 0.464 643 Y N 1.303 121.607 120.300 0.007 0.000 2.677 643 Y HA 0.112 4.662 4.550 0.000 0.000 0.335 643 Y C 0.690 176.589 175.900 -0.002 0.000 1.162 643 Y CA 0.131 58.227 58.100 -0.006 0.000 1.483 643 Y CB 0.037 38.486 38.460 -0.018 0.000 1.209 643 Y HN -0.288 nan 8.280 nan 0.000 0.528 644 T N 2.171 116.783 114.554 0.096 0.000 2.841 644 T HA 0.464 4.814 4.350 0.000 0.000 0.283 644 T C -0.409 174.328 174.700 0.062 0.000 1.000 644 T CA -0.992 61.148 62.100 0.067 0.000 0.977 644 T CB 1.445 70.334 68.868 0.036 0.000 0.979 644 T HN 0.229 nan 8.240 nan 0.000 0.446 645 V N 2.313 122.262 119.914 0.060 0.000 2.521 645 V HA 0.540 4.660 4.120 0.000 0.000 0.286 645 V C 0.608 176.726 176.094 0.041 0.000 1.034 645 V CA -0.227 62.107 62.300 0.056 0.000 1.045 645 V CB -0.012 31.848 31.823 0.063 0.000 0.974 645 V HN 1.163 nan 8.190 nan 0.000 0.480 646 A N 4.061 126.899 122.820 0.029 0.000 2.386 646 A HA 0.837 5.157 4.320 0.000 0.000 0.308 646 A C -0.125 177.457 177.584 -0.003 0.000 1.128 646 A CA -0.607 51.438 52.037 0.013 0.000 0.789 646 A CB 1.768 20.767 19.000 -0.002 0.000 1.325 646 A HN 0.642 nan 8.150 nan 0.000 0.437 647 T N 2.528 117.078 114.554 -0.007 0.000 2.772 647 T HA 0.464 4.814 4.350 0.000 0.000 0.288 647 T C -0.765 173.896 174.700 -0.066 0.000 0.994 647 T CA -0.372 61.708 62.100 -0.034 0.000 0.951 647 T CB 0.736 69.606 68.868 0.003 0.000 0.933 647 T HN 0.580 nan 8.240 nan 0.000 0.447 648 Q N 2.062 121.718 119.800 -0.239 0.000 2.256 648 Q HA 0.618 4.958 4.340 0.000 0.000 0.257 648 Q C -0.835 175.046 176.000 -0.198 0.000 0.936 648 Q CA -0.785 54.873 55.803 -0.242 0.000 0.903 648 Q CB 1.904 30.302 28.738 -0.567 0.000 1.263 648 Q HN 0.574 nan 8.270 nan 0.000 0.440 649 S N 2.501 118.204 115.700 0.005 0.000 2.707 649 S HA 0.489 4.959 4.470 0.000 0.000 0.303 649 S C -0.094 174.567 174.600 0.102 0.000 1.132 649 S CA -0.776 57.466 58.200 0.070 0.000 1.046 649 S CB 0.869 64.109 63.200 0.066 0.000 1.004 649 S HN 0.412 nan 8.310 nan 0.000 0.483 650 I N 3.064 123.737 120.570 0.173 0.000 2.297 650 I HA 0.224 4.394 4.170 0.000 0.000 0.291 650 I C 0.493 176.694 176.117 0.141 0.000 1.033 650 I CA -0.293 61.099 61.300 0.153 0.000 1.253 650 I CB -0.169 37.966 38.000 0.226 0.000 1.396 650 I HN 0.778 nan 8.210 nan 0.000 0.476 651 H N 6.562 125.651 119.070 0.031 0.000 2.767 651 H HA 0.256 4.812 4.556 0.000 0.000 0.316 651 H C -0.280 175.012 175.328 -0.059 0.000 1.059 651 H CA 0.108 56.118 56.048 -0.063 0.000 1.461 651 H CB 0.349 30.055 29.762 -0.092 0.000 1.475 651 H HN 0.681 nan 8.280 nan 0.000 0.531 652 H N 2.776 121.737 119.070 -0.182 0.000 2.572 652 H HA 0.613 5.169 4.556 0.000 0.000 0.359 652 H C 0.391 175.635 175.328 -0.141 0.000 1.134 652 H CA -0.563 55.406 56.048 -0.133 0.000 1.187 652 H CB 1.311 30.962 29.762 -0.185 0.000 1.597 652 H HN 0.989 nan 8.280 nan 0.000 0.524 653 G N 0.557 109.338 108.800 -0.032 0.000 2.829 653 G HA2 0.319 4.279 3.960 0.000 0.000 0.628 653 G HA3 0.319 4.279 3.960 0.000 0.000 0.628 653 G C 0.413 175.259 174.900 -0.092 0.000 1.412 653 G CA 0.235 45.250 45.100 -0.142 0.000 0.864 653 G HN 2.210 nan 8.290 nan 0.000 0.544 654 G N -0.601 108.172 108.800 -0.044 0.000 2.562 654 G HA2 -0.088 3.872 3.960 0.000 0.000 0.250 654 G HA3 -0.088 3.872 3.960 0.000 0.000 0.250 654 G C 0.867 175.750 174.900 -0.028 0.000 1.269 654 G CA 0.983 46.085 45.100 0.004 0.000 0.919 654 G HN 1.546 nan 8.290 nan 0.000 0.574 655 K N 0.888 121.191 120.400 -0.162 0.000 2.155 655 K HA 0.104 4.424 4.320 0.000 0.000 0.203 655 K C 1.273 177.559 176.600 -0.524 0.000 1.052 655 K CA 1.595 57.739 56.287 -0.238 0.000 0.948 655 K CB 0.019 32.385 32.500 -0.223 0.000 0.728 655 K HN 0.577 nan 8.250 nan 0.000 0.448 656 E N 0.989 120.725 120.200 -0.774 0.000 2.464 656 E HA 0.240 4.590 4.350 0.000 0.000 0.260 656 E C -1.117 174.836 176.600 -1.078 0.000 1.318 656 E CA -0.440 55.021 56.400 -1.566 0.000 1.571 656 E CB 1.010 29.960 29.700 -1.250 0.000 1.525 656 E HN 0.132 nan 8.360 nan 0.000 0.449 657 A N 1.715 124.141 122.820 -0.657 0.000 2.343 657 A HA 0.214 4.534 4.320 0.000 0.000 0.305 657 A C 0.457 178.163 177.584 0.204 0.000 1.308 657 A CA -0.406 51.542 52.037 -0.149 0.000 0.949 657 A CB 0.166 18.998 19.000 -0.281 0.000 1.148 657 A HN 0.186 nan 8.150 nan 0.000 0.545 658 T N 2.569 117.285 114.554 0.271 0.000 2.932 658 T HA 0.444 4.794 4.350 0.000 0.000 0.312 658 T C 0.632 175.382 174.700 0.084 0.000 1.071 658 T CA 1.015 63.266 62.100 0.252 0.000 1.128 658 T CB 0.186 69.112 68.868 0.097 0.000 0.984 658 T HN 1.292 nan 8.240 nan 0.000 0.549 659 S N 1.250 116.940 115.700 -0.017 0.000 2.643 659 S HA 0.557 5.027 4.470 0.000 0.000 0.266 659 S C -1.729 172.751 174.600 -0.199 0.000 1.130 659 S CA -1.092 57.014 58.200 -0.155 0.000 0.817 659 S CB 1.007 64.039 63.200 -0.280 0.000 1.107 659 S HN 0.443 nan 8.310 nan 0.000 0.471 660 I N 1.967 122.396 120.570 -0.234 0.000 2.355 660 I HA 0.305 4.475 4.170 0.000 0.000 0.288 660 I C -0.513 175.488 176.117 -0.192 0.000 0.999 660 I CA -0.678 60.500 61.300 -0.204 0.000 1.163 660 I CB 1.321 39.226 38.000 -0.159 0.000 1.316 660 I HN 0.661 nan 8.210 nan 0.000 0.454 661 L N 7.164 128.282 121.223 -0.177 0.000 2.462 661 L HA 0.250 4.590 4.340 0.000 0.000 0.283 661 L C 0.179 177.000 176.870 -0.081 0.000 1.166 661 L CA -0.143 54.620 54.840 -0.128 0.000 0.964 661 L CB -0.310 41.686 42.059 -0.105 0.000 1.294 661 L HN 0.358 nan 8.230 nan 0.000 0.449 662 L N 5.928 127.127 121.223 -0.040 0.000 2.380 662 L HA 0.249 4.589 4.340 0.000 0.000 0.273 662 L C -1.661 175.216 176.870 0.011 0.000 1.138 662 L CA -1.596 53.255 54.840 0.018 0.000 0.832 662 L CB 0.952 43.070 42.059 0.098 0.000 1.124 662 L HN 0.315 nan 8.230 nan 0.000 0.454 663 P HA 0.089 nan 4.420 nan 0.000 0.225 663 P C -0.376 176.916 177.300 -0.014 0.000 1.813 663 P CA -0.150 62.925 63.100 -0.042 0.000 1.013 663 P CB 0.084 31.732 31.700 -0.086 0.000 1.961 664 V N 3.162 123.076 119.914 0.000 0.000 2.521 664 V HA 0.124 4.244 4.120 0.000 0.000 0.286 664 V C 1.097 177.168 176.094 -0.038 0.000 1.034 664 V CA 0.137 62.436 62.300 -0.002 0.000 1.045 664 V CB 1.027 32.826 31.823 -0.041 0.000 0.974 664 V HN 0.260 nan 8.190 nan 0.000 0.480 665 V N 3.190 123.088 119.914 -0.027 0.000 3.155 665 V HA 0.778 4.898 4.120 0.000 0.000 0.313 665 V C -0.428 175.652 176.094 -0.023 0.000 1.162 665 V CA -1.181 61.098 62.300 -0.035 0.000 1.048 665 V CB 2.234 34.033 31.823 -0.040 0.000 1.092 665 V HN 0.656 nan 8.190 nan 0.000 0.447 666 K N 0.000 120.390 120.400 -0.016 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543