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 1nx9_1_D 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 GMTGSAYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.002 0.000 0.993 50 H CA 0.000 56.049 56.048 0.002 0.000 1.023 50 H CB 0.000 29.763 29.762 0.002 0.000 1.292 51 D N 2.858 123.343 120.400 0.143 0.000 2.339 51 D HA 0.190 4.830 4.640 -0.000 0.000 0.241 51 D C -1.303 175.078 176.300 0.135 0.000 1.183 51 D CA -2.312 51.737 54.000 0.082 0.000 0.859 51 D CB 1.391 42.224 40.800 0.055 0.000 1.067 51 D HN 0.234 nan 8.370 nan 0.000 0.484 52 P HA -0.080 nan 4.420 nan 0.000 0.226 52 P C 1.345 178.685 177.300 0.067 0.000 1.153 52 P CA 0.535 63.703 63.100 0.113 0.000 0.777 52 P CB 0.339 32.075 31.700 0.061 0.000 0.794 53 L N -1.351 119.900 121.223 0.048 0.000 2.554 53 L HA 0.051 4.391 4.340 -0.000 0.000 0.226 53 L C 1.777 178.665 176.870 0.030 0.000 1.137 53 L CA 0.779 55.639 54.840 0.032 0.000 0.863 53 L CB -0.201 41.872 42.059 0.023 0.000 0.985 53 L HN -0.001 nan 8.230 nan 0.000 0.451 54 S N -1.984 113.740 115.700 0.039 0.000 3.019 54 S HA 0.159 4.629 4.470 -0.000 0.000 0.258 54 S C 0.364 174.977 174.600 0.022 0.000 1.082 54 S CA -0.231 57.986 58.200 0.028 0.000 0.836 54 S CB 1.141 64.357 63.200 0.027 0.000 0.834 54 S HN -0.059 nan 8.310 nan 0.000 0.457 55 V N 3.408 123.346 119.914 0.040 0.000 2.328 55 V HA 0.547 4.667 4.120 -0.000 0.000 0.278 55 V C -0.548 175.542 176.094 -0.006 0.000 1.021 55 V CA -0.474 61.822 62.300 -0.007 0.000 0.838 55 V CB 1.116 32.908 31.823 -0.052 0.000 0.999 55 V HN 0.265 nan 8.190 nan 0.000 0.447 56 Q N 3.607 123.388 119.800 -0.033 0.000 2.400 56 Q HA 0.384 4.724 4.340 -0.000 0.000 0.255 56 Q C 0.596 176.563 176.000 -0.055 0.000 1.008 56 Q CA -0.102 55.691 55.803 -0.016 0.000 0.841 56 Q CB 1.491 30.229 28.738 -0.000 0.000 1.220 56 Q HN 0.851 nan 8.270 nan 0.000 0.474 57 T N 0.076 114.592 114.554 -0.064 0.000 3.092 57 T HA 0.460 4.810 4.350 -0.000 0.000 0.258 57 T C 0.705 175.398 174.700 -0.013 0.000 1.031 57 T CA 0.137 62.194 62.100 -0.072 0.000 0.925 57 T CB 0.580 69.364 68.868 -0.141 0.000 1.036 57 T HN 0.458 nan 8.240 nan 0.000 0.544 58 G N 0.977 109.782 108.800 0.009 0.000 3.039 58 G HA2 0.571 4.531 3.960 -0.000 0.000 0.159 58 G HA3 0.571 4.531 3.960 -0.000 0.000 0.159 58 G C -0.983 173.922 174.900 0.008 0.000 1.284 58 G CA -0.592 44.517 45.100 0.016 0.000 0.996 58 G HN 0.317 nan 8.290 nan 0.000 0.592 59 S N -1.037 114.669 115.700 0.010 0.000 2.501 59 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 59 S C -0.135 174.470 174.600 0.007 0.000 1.096 59 S CA -0.546 57.657 58.200 0.006 0.000 1.063 59 S CB 1.640 64.842 63.200 0.004 0.000 1.042 59 S HN 0.324 nan 8.310 nan 0.000 0.494 60 D N 2.626 123.028 120.400 0.004 0.000 2.355 60 D HA 0.215 4.855 4.640 -0.000 0.000 0.218 60 D C 0.017 176.319 176.300 0.004 0.000 1.004 60 D CA 0.491 54.494 54.000 0.005 0.000 0.880 60 D CB 0.031 40.833 40.800 0.004 0.000 0.911 60 D HN 0.527 nan 8.370 nan 0.000 0.528 61 I N 2.432 123.003 120.570 0.002 0.000 2.312 61 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 61 I C -1.980 174.136 176.117 -0.002 0.000 1.031 61 I CA -1.799 59.500 61.300 -0.001 0.000 1.293 61 I CB 1.062 39.061 38.000 -0.003 0.000 1.403 61 I HN -0.283 nan 8.210 nan 0.000 0.484 62 P HA 0.107 nan 4.420 nan 0.000 0.268 62 P C 0.394 177.686 177.300 -0.014 0.000 1.205 62 P CA -0.197 62.899 63.100 -0.006 0.000 0.771 62 P CB 1.097 32.792 31.700 -0.008 0.000 0.858 63 A N 2.017 124.830 122.820 -0.012 0.000 1.930 63 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 63 A C 1.198 178.759 177.584 -0.039 0.000 1.175 63 A CA 1.485 53.512 52.037 -0.017 0.000 0.627 63 A CB -0.417 18.580 19.000 -0.005 0.000 0.815 63 A HN 0.544 nan 8.150 nan 0.000 0.443 64 S N -0.896 114.770 115.700 -0.057 0.000 2.521 64 S HA 0.527 4.997 4.470 -0.000 0.000 0.295 64 S C -0.968 173.529 174.600 -0.171 0.000 1.098 64 S CA -0.369 57.749 58.200 -0.137 0.000 0.999 64 S CB 1.694 64.800 63.200 -0.156 0.000 1.034 64 S HN 0.724 nan 8.310 nan 0.000 0.483 65 V N 4.079 123.854 119.914 -0.232 0.000 2.304 65 V HA 0.549 4.669 4.120 -0.000 0.000 0.278 65 V C -0.638 175.325 176.094 -0.218 0.000 1.018 65 V CA -0.712 61.493 62.300 -0.159 0.000 0.814 65 V CB 0.739 32.515 31.823 -0.077 0.000 1.021 65 V HN 0.902 nan 8.190 nan 0.000 0.440 66 H N 4.933 124.008 119.070 0.009 0.000 2.638 66 H HA 0.453 5.009 4.556 -0.000 0.000 0.242 66 H C -0.130 175.200 175.328 0.004 0.000 1.610 66 H CA -0.576 55.476 56.048 0.006 0.000 1.275 66 H CB 1.211 30.976 29.762 0.006 0.000 1.583 66 H HN 0.574 nan 8.280 nan 0.000 0.556 67 M N 3.483 123.138 119.600 0.091 0.000 2.238 67 M HA 0.112 4.592 4.480 -0.000 0.000 0.350 67 M C -1.405 174.924 176.300 0.047 0.000 1.321 67 M CA -1.689 53.643 55.300 0.054 0.000 1.097 67 M CB 0.883 33.502 32.600 0.031 0.000 1.713 67 M HN 0.179 nan 8.290 nan 0.000 0.455 68 P HA 0.058 nan 4.420 nan 0.000 0.245 68 P C 0.464 177.765 177.300 0.002 0.000 1.212 68 P CA 0.610 63.720 63.100 0.016 0.000 0.774 68 P CB -0.228 31.480 31.700 0.013 0.000 0.999 69 T N -4.321 110.235 114.554 0.004 0.000 3.160 69 T HA -0.017 4.333 4.350 -0.000 0.000 0.257 69 T C 1.028 175.709 174.700 -0.031 0.000 1.147 69 T CA 0.540 62.636 62.100 -0.007 0.000 1.064 69 T CB -0.603 68.268 68.868 0.005 0.000 0.949 69 T HN -0.006 nan 8.240 nan 0.000 0.526 70 D N 2.234 122.615 120.400 -0.031 0.000 2.149 70 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 70 D C 2.337 178.582 176.300 -0.091 0.000 0.972 70 D CA 0.824 54.785 54.000 -0.065 0.000 0.835 70 D CB -0.137 40.647 40.800 -0.027 0.000 0.966 70 D HN 0.617 nan 8.370 nan 0.000 0.476 71 Q N 0.047 119.813 119.800 -0.056 0.000 2.403 71 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 71 Q C 1.153 177.122 176.000 -0.052 0.000 0.932 71 Q CA 0.339 56.110 55.803 -0.054 0.000 0.945 71 Q CB 0.212 28.931 28.738 -0.033 0.000 1.045 71 Q HN 0.329 nan 8.270 nan 0.000 0.511 72 Q N 0.742 120.509 119.800 -0.055 0.000 2.319 72 Q HA 0.164 4.504 4.340 -0.000 0.000 0.202 72 Q C -0.145 175.824 176.000 -0.052 0.000 0.896 72 Q CA -0.127 55.653 55.803 -0.039 0.000 0.942 72 Q CB 0.653 29.378 28.738 -0.020 0.000 1.083 72 Q HN 0.322 nan 8.270 nan 0.000 0.510 73 R N 0.772 121.202 120.500 -0.117 0.000 2.549 73 R HA 0.067 4.407 4.340 -0.000 0.000 0.267 73 R C 0.185 176.417 176.300 -0.113 0.000 1.045 73 R CA -0.103 55.891 56.100 -0.176 0.000 1.115 73 R CB 0.424 30.395 30.300 -0.548 0.000 1.121 73 R HN 0.022 nan 8.270 nan 0.000 0.543 74 D N -0.006 120.395 120.400 0.001 0.000 2.463 74 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 74 D C -0.584 175.811 176.300 0.158 0.000 1.174 74 D CA -0.187 53.857 54.000 0.074 0.000 0.829 74 D CB -0.147 40.719 40.800 0.110 0.000 0.993 74 D HN 0.501 nan 8.370 nan 0.000 0.497 75 Y N -2.110 118.206 120.300 0.026 0.000 2.638 75 Y HA 0.663 5.213 4.550 -0.000 0.000 0.335 75 Y C -1.602 174.316 175.900 0.031 0.000 1.155 75 Y CA -1.741 56.377 58.100 0.031 0.000 1.046 75 Y CB 1.002 39.485 38.460 0.038 0.000 1.303 75 Y HN -0.237 nan 8.280 nan 0.000 0.460 76 I N 2.345 123.019 120.570 0.174 0.000 2.474 76 I HA 0.436 4.606 4.170 -0.000 0.000 0.294 76 I C -0.752 175.503 176.117 0.230 0.000 1.005 76 I CA -0.896 60.458 61.300 0.091 0.000 1.113 76 I CB 2.121 40.157 38.000 0.059 0.000 1.289 76 I HN 0.587 nan 8.210 nan 0.000 0.436 77 K N 6.060 126.574 120.400 0.191 0.000 2.307 77 K HA 0.571 4.890 4.320 -0.000 0.000 0.263 77 K C -0.899 175.772 176.600 0.119 0.000 0.973 77 K CA -0.716 55.692 56.287 0.200 0.000 0.846 77 K CB 1.231 33.887 32.500 0.259 0.000 1.100 77 K HN 0.534 nan 8.250 nan 0.000 0.438 78 R N 2.690 123.247 120.500 0.095 0.000 2.494 78 R HA 0.223 4.563 4.340 -0.000 0.000 0.305 78 R C -0.961 175.350 176.300 0.019 0.000 0.959 78 R CA -0.602 55.540 56.100 0.070 0.000 0.864 78 R CB 1.722 32.075 30.300 0.088 0.000 1.159 78 R HN 0.589 nan 8.270 nan 0.000 0.446 79 E N 2.763 122.970 120.200 0.012 0.000 2.113 79 E HA 0.319 4.669 4.350 -0.000 0.000 0.273 79 E C -0.922 175.640 176.600 -0.064 0.000 0.924 79 E CA -0.726 55.630 56.400 -0.074 0.000 0.764 79 E CB 1.870 31.610 29.700 0.066 0.000 1.104 79 E HN 0.277 nan 8.360 nan 0.000 0.406 80 V N 0.018 119.819 119.914 -0.188 0.000 2.841 80 V HA 0.489 4.609 4.120 -0.000 0.000 0.310 80 V C -0.398 175.544 176.094 -0.252 0.000 1.090 80 V CA -1.148 61.051 62.300 -0.168 0.000 0.930 80 V CB 1.953 33.661 31.823 -0.192 0.000 1.014 80 V HN 0.586 nan 8.190 nan 0.000 0.425 81 M N 3.611 123.114 119.600 -0.161 0.000 2.206 81 M HA 0.389 4.869 4.480 -0.000 0.000 0.353 81 M C -0.467 175.667 176.300 -0.277 0.000 1.242 81 M CA -0.323 54.897 55.300 -0.134 0.000 1.179 81 M CB 0.723 33.313 32.600 -0.017 0.000 1.374 81 M HN 0.603 nan 8.290 nan 0.000 0.427 82 V N 7.375 127.030 119.914 -0.432 0.000 2.439 82 V HA 0.200 4.320 4.120 -0.000 0.000 0.271 82 V C -1.795 174.141 176.094 -0.264 0.000 1.040 82 V CA -1.130 60.802 62.300 -0.614 0.000 1.002 82 V CB 0.482 31.850 31.823 -0.758 0.000 1.000 82 V HN 0.542 nan 8.190 nan 0.000 0.477 83 P HA 0.275 nan 4.420 nan 0.000 0.280 83 P C -0.473 176.839 177.300 0.021 0.000 1.244 83 P CA -0.379 62.703 63.100 -0.029 0.000 0.784 83 P CB 0.958 32.673 31.700 0.025 0.000 0.913 84 M N 2.919 122.543 119.600 0.039 0.000 2.363 84 M HA 0.259 4.739 4.480 -0.000 0.000 0.280 84 M C 2.103 178.448 176.300 0.075 0.000 1.182 84 M CA -0.583 54.759 55.300 0.071 0.000 0.974 84 M CB 0.247 32.889 32.600 0.069 0.000 1.452 84 M HN 0.397 nan 8.290 nan 0.000 0.507 85 R N 0.658 121.205 120.500 0.078 0.000 2.193 85 R HA -0.141 4.199 4.340 -0.000 0.000 0.229 85 R C 0.431 176.754 176.300 0.038 0.000 1.110 85 R CA 1.794 57.927 56.100 0.056 0.000 0.988 85 R CB -0.550 29.768 30.300 0.029 0.000 0.871 85 R HN 0.674 nan 8.270 nan 0.000 0.458 86 D N -0.823 119.601 120.400 0.040 0.000 2.349 86 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 86 D C 1.121 177.442 176.300 0.035 0.000 1.063 86 D CA 0.521 54.541 54.000 0.034 0.000 0.847 86 D CB 0.551 41.371 40.800 0.035 0.000 0.933 86 D HN 0.398 nan 8.370 nan 0.000 0.513 87 G N -0.102 108.722 108.800 0.039 0.000 2.213 87 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 87 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 87 G C 0.202 175.123 174.900 0.034 0.000 0.991 87 G CA 0.100 45.222 45.100 0.036 0.000 0.629 87 G HN 0.354 nan 8.290 nan 0.000 0.517 88 V N 2.173 122.110 119.914 0.038 0.000 2.521 88 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 88 V C 0.773 176.885 176.094 0.029 0.000 1.034 88 V CA 0.329 62.652 62.300 0.038 0.000 1.045 88 V CB 1.246 33.098 31.823 0.049 0.000 0.974 88 V HN 0.330 nan 8.190 nan 0.000 0.480 89 K N 5.777 126.191 120.400 0.023 0.000 2.156 89 K HA 0.635 4.955 4.320 -0.000 0.000 0.271 89 K C -0.983 175.627 176.600 0.017 0.000 0.995 89 K CA -0.490 55.798 56.287 0.002 0.000 0.890 89 K CB 1.458 33.957 32.500 -0.001 0.000 1.073 89 K HN 0.492 nan 8.250 nan 0.000 0.454 90 L N 3.188 124.403 121.223 -0.012 0.000 2.322 90 L HA 0.324 4.664 4.340 -0.000 0.000 0.281 90 L C -0.491 176.392 176.870 0.022 0.000 1.014 90 L CA -1.218 53.638 54.840 0.027 0.000 0.815 90 L CB 0.765 42.836 42.059 0.019 0.000 1.247 90 L HN 0.566 nan 8.230 nan 0.000 0.421 91 Y N 2.619 122.904 120.300 -0.026 0.000 2.569 91 Y HA 0.147 4.697 4.550 -0.000 0.000 0.332 91 Y C -0.170 175.715 175.900 -0.024 0.000 1.120 91 Y CA 0.193 58.279 58.100 -0.024 0.000 1.416 91 Y CB 0.583 39.051 38.460 0.013 0.000 1.210 91 Y HN 0.478 nan 8.280 nan 0.000 0.528 92 T N 6.523 120.737 114.554 -0.566 0.000 2.841 92 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 92 T C -1.118 173.286 174.700 -0.493 0.000 0.991 92 T CA -0.696 61.152 62.100 -0.419 0.000 0.966 92 T CB 1.046 69.727 68.868 -0.312 0.000 0.962 92 T HN 0.374 nan 8.240 nan 0.000 0.438 93 V N 4.909 124.648 119.914 -0.292 0.000 2.370 93 V HA 0.508 4.628 4.120 -0.000 0.000 0.283 93 V C -0.208 175.879 176.094 -0.011 0.000 1.023 93 V CA -0.758 61.452 62.300 -0.150 0.000 0.857 93 V CB 1.023 32.830 31.823 -0.026 0.000 0.985 93 V HN 0.798 nan 8.190 nan 0.000 0.443 94 I N 5.295 125.873 120.570 0.013 0.000 2.382 94 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 94 I C -0.510 175.657 176.117 0.084 0.000 1.002 94 I CA -0.704 60.629 61.300 0.056 0.000 1.135 94 I CB 1.868 39.915 38.000 0.078 0.000 1.288 94 I HN 0.281 nan 8.210 nan 0.000 0.448 95 V N 7.716 127.680 119.914 0.085 0.000 2.318 95 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 95 V C 0.079 176.233 176.094 0.101 0.000 1.030 95 V CA -0.317 62.043 62.300 0.101 0.000 0.844 95 V CB 0.938 32.781 31.823 0.033 0.000 1.015 95 V HN 0.487 nan 8.190 nan 0.000 0.460 96 I N 7.420 128.071 120.570 0.136 0.000 2.378 96 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 96 I C -2.386 173.815 176.117 0.140 0.000 0.992 96 I CA -2.221 59.144 61.300 0.108 0.000 1.154 96 I CB 2.230 40.277 38.000 0.078 0.000 1.315 96 I HN 0.389 nan 8.210 nan 0.000 0.448 97 P HA 0.048 nan 4.420 nan 0.000 0.268 97 P C -0.684 176.668 177.300 0.087 0.000 1.205 97 P CA -0.421 62.751 63.100 0.120 0.000 0.771 97 P CB 0.513 32.264 31.700 0.085 0.000 0.858 98 K N 2.971 123.420 120.400 0.082 0.000 2.448 98 K HA 0.004 4.324 4.320 -0.000 0.000 0.278 98 K C 0.603 177.220 176.600 0.028 0.000 1.009 98 K CA 0.312 56.625 56.287 0.042 0.000 0.995 98 K CB -0.316 32.200 32.500 0.026 0.000 0.917 98 K HN 0.436 nan 8.250 nan 0.000 0.481 99 N N -0.061 118.648 118.700 0.016 0.000 2.741 99 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 99 N C -1.041 174.471 175.510 0.004 0.000 1.112 99 N CA 1.094 54.148 53.050 0.007 0.000 0.750 99 N CB -1.538 36.952 38.487 0.005 0.000 1.119 99 N HN 0.605 nan 8.380 nan 0.000 0.561 100 A N 1.026 123.851 122.820 0.008 0.000 2.450 100 A HA 0.465 4.785 4.320 -0.000 0.000 0.255 100 A C 0.782 178.357 177.584 -0.016 0.000 1.096 100 A CA -0.049 51.987 52.037 -0.001 0.000 0.778 100 A CB 0.379 19.383 19.000 0.007 0.000 1.031 100 A HN 0.359 nan 8.150 nan 0.000 0.494 101 R N 1.677 122.160 120.500 -0.029 0.000 2.538 101 R HA 0.541 4.881 4.340 -0.000 0.000 0.292 101 R C -0.612 175.655 176.300 -0.054 0.000 1.008 101 R CA -0.785 55.293 56.100 -0.037 0.000 0.896 101 R CB 0.497 30.779 30.300 -0.031 0.000 1.187 101 R HN 0.715 nan 8.270 nan 0.000 0.440 102 N N 0.283 118.945 118.700 -0.063 0.000 2.725 102 N HA -0.244 4.496 4.740 -0.000 0.000 0.251 102 N C -0.934 174.513 175.510 -0.105 0.000 1.031 102 N CA 0.945 53.947 53.050 -0.080 0.000 0.720 102 N CB -0.510 37.933 38.487 -0.072 0.000 0.930 102 N HN 0.828 nan 8.380 nan 0.000 0.543 103 A N 0.361 123.115 122.820 -0.110 0.000 2.310 103 A HA 0.660 4.980 4.320 -0.000 0.000 0.299 103 A C -1.965 175.497 177.584 -0.204 0.000 1.147 103 A CA -1.302 50.639 52.037 -0.159 0.000 0.818 103 A CB 0.826 19.758 19.000 -0.114 0.000 1.096 103 A HN 0.090 nan 8.150 nan 0.000 0.495 104 P HA 0.328 nan 4.420 nan 0.000 0.274 104 P C -0.785 176.389 177.300 -0.210 0.000 1.246 104 P CA 0.067 62.964 63.100 -0.339 0.000 0.795 104 P CB 0.731 32.068 31.700 -0.605 0.000 1.006 105 I N 1.301 121.820 120.570 -0.086 0.000 2.404 105 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 105 I C -0.048 176.096 176.117 0.044 0.000 0.992 105 I CA -0.988 60.305 61.300 -0.012 0.000 1.149 105 I CB 1.675 39.646 38.000 -0.049 0.000 1.315 105 I HN 0.147 nan 8.210 nan 0.000 0.446 106 L N 7.969 129.212 121.223 0.033 0.000 2.276 106 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 106 L C -1.029 175.732 176.870 -0.180 0.000 1.024 106 L CA -0.352 54.428 54.840 -0.101 0.000 0.826 106 L CB 1.249 43.105 42.059 -0.340 0.000 1.211 106 L HN 0.479 nan 8.230 nan 0.000 0.422 107 L N 4.728 125.861 121.223 -0.151 0.000 2.329 107 L HA 0.789 5.129 4.340 -0.000 0.000 0.279 107 L C -0.640 176.108 176.870 -0.204 0.000 1.014 107 L CA 0.391 55.124 54.840 -0.177 0.000 0.814 107 L CB 2.100 44.101 42.059 -0.097 0.000 1.257 107 L HN 0.638 nan 8.230 nan 0.000 0.424 108 T N 4.714 119.090 114.554 -0.297 0.000 2.928 108 T HA 0.537 4.887 4.350 -0.000 0.000 0.296 108 T C -0.787 173.895 174.700 -0.029 0.000 1.000 108 T CA -0.609 61.368 62.100 -0.205 0.000 0.989 108 T CB 1.198 69.815 68.868 -0.419 0.000 1.005 108 T HN 0.557 nan 8.240 nan 0.000 0.442 109 R N 1.724 122.278 120.500 0.090 0.000 2.295 109 R HA 0.720 5.060 4.340 -0.000 0.000 0.324 109 R C -0.298 176.140 176.300 0.230 0.000 0.968 109 R CA -0.773 55.420 56.100 0.154 0.000 0.837 109 R CB 1.697 32.083 30.300 0.142 0.000 1.133 109 R HN 0.524 nan 8.270 nan 0.000 0.450 110 T N 2.071 116.754 114.554 0.216 0.000 2.909 110 T HA 0.432 4.782 4.350 -0.000 0.000 0.299 110 T C -2.330 172.348 174.700 -0.036 0.000 1.073 110 T CA -2.125 60.068 62.100 0.154 0.000 0.999 110 T CB 1.887 70.915 68.868 0.267 0.000 1.098 110 T HN 0.351 nan 8.240 nan 0.000 0.477 111 P HA 0.243 nan 4.420 nan 0.000 0.266 111 P C -0.459 176.570 177.300 -0.452 0.000 1.381 111 P CA -0.052 62.730 63.100 -0.530 0.000 0.940 111 P CB -0.113 30.952 31.700 -1.058 0.000 1.435 112 Y N 0.523 120.805 120.300 -0.029 0.000 2.801 112 Y HA 0.313 4.863 4.550 -0.000 0.000 0.318 112 Y C 0.521 176.198 175.900 -0.371 0.000 1.073 112 Y CA -1.381 56.660 58.100 -0.100 0.000 1.360 112 Y CB -1.158 37.301 38.460 -0.002 0.000 1.220 112 Y HN 0.071 nan 8.280 nan 0.000 0.536 113 N N 0.355 118.706 118.700 -0.582 0.000 2.469 113 N HA -0.216 4.524 4.740 -0.000 0.000 0.283 113 N C 0.917 176.247 175.510 -0.299 0.000 1.326 113 N CA 0.214 52.766 53.050 -0.830 0.000 0.646 113 N CB -0.222 37.544 38.487 -1.201 0.000 0.894 113 N HN 0.525 nan 8.380 nan 0.000 0.533 114 A N 3.538 126.312 122.820 -0.077 0.000 1.948 114 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 114 A C 1.963 179.556 177.584 0.015 0.000 1.177 114 A CA 1.981 54.045 52.037 0.045 0.000 0.636 114 A CB -0.308 18.833 19.000 0.234 0.000 0.815 114 A HN 0.779 nan 8.150 nan 0.000 0.449 115 K N -0.781 119.688 120.400 0.114 0.000 2.063 115 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 115 K C 1.987 178.562 176.600 -0.042 0.000 1.048 115 K CA 1.530 57.886 56.287 0.114 0.000 0.928 115 K CB -0.502 32.053 32.500 0.091 0.000 0.713 115 K HN 0.398 nan 8.250 nan 0.000 0.442 116 G N 0.677 109.398 108.800 -0.131 0.000 2.403 116 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 116 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 116 G C 1.431 176.206 174.900 -0.209 0.000 1.154 116 G CA 0.011 45.022 45.100 -0.149 0.000 0.784 116 G HN 0.146 nan 8.290 nan 0.000 0.538 117 R N 0.937 121.237 120.500 -0.333 0.000 2.096 117 R HA 0.016 4.356 4.340 -0.000 0.000 0.235 117 R C 2.338 178.245 176.300 -0.654 0.000 1.127 117 R CA 1.119 56.859 56.100 -0.599 0.000 0.968 117 R CB -0.775 28.898 30.300 -1.045 0.000 0.861 117 R HN 0.329 nan 8.270 nan 0.000 0.440 118 A N 0.781 123.327 122.820 -0.456 0.000 2.411 118 A HA 0.108 4.428 4.320 -0.000 0.000 0.251 118 A C 0.283 177.800 177.584 -0.112 0.000 1.317 118 A CA -0.064 51.851 52.037 -0.203 0.000 0.904 118 A CB -0.055 18.936 19.000 -0.015 0.000 0.993 118 A HN 0.088 nan 8.150 nan 0.000 0.504 119 N N 0.006 118.633 118.700 -0.122 0.000 2.628 119 N HA 0.095 4.835 4.740 -0.000 0.000 0.299 119 N C 1.035 176.509 175.510 -0.059 0.000 1.834 119 N CA -0.257 52.756 53.050 -0.062 0.000 0.871 119 N CB 0.195 38.663 38.487 -0.031 0.000 1.377 119 N HN 0.424 nan 8.380 nan 0.000 0.493 120 R N -0.194 120.264 120.500 -0.070 0.000 2.113 120 R HA -0.057 4.283 4.340 -0.000 0.000 0.244 120 R C -0.194 176.096 176.300 -0.017 0.000 1.142 120 R CA 1.340 57.415 56.100 -0.042 0.000 0.953 120 R CB 0.104 30.384 30.300 -0.032 0.000 0.860 120 R HN -0.024 nan 8.270 nan 0.000 0.438 121 V N 4.183 124.090 119.914 -0.012 0.000 2.326 121 V HA 0.249 4.369 4.120 -0.000 0.000 0.281 121 V C -2.251 173.853 176.094 0.016 0.000 1.015 121 V CA -1.839 60.465 62.300 0.006 0.000 0.823 121 V CB 1.536 33.368 31.823 0.015 0.000 1.009 121 V HN 0.222 nan 8.190 nan 0.000 0.436 122 P HA -0.024 nan 4.420 nan 0.000 0.258 122 P C 0.285 177.618 177.300 0.055 0.000 1.172 122 P CA 0.567 63.684 63.100 0.028 0.000 0.762 122 P CB 0.132 31.843 31.700 0.020 0.000 0.764 123 N N -0.618 118.132 118.700 0.084 0.000 2.710 123 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 123 N C 0.376 175.975 175.510 0.148 0.000 1.059 123 N CA 1.168 54.294 53.050 0.128 0.000 0.720 123 N CB -1.552 36.986 38.487 0.085 0.000 0.983 123 N HN 0.626 nan 8.380 nan 0.000 0.544 124 A N 0.034 122.950 122.820 0.158 0.000 2.492 124 A HA 0.241 4.561 4.320 -0.000 0.000 0.236 124 A C 1.690 179.418 177.584 0.240 0.000 1.078 124 A CA 0.005 52.133 52.037 0.152 0.000 0.773 124 A CB 0.272 19.334 19.000 0.103 0.000 1.023 124 A HN 0.333 nan 8.150 nan 0.000 0.504 125 L N 0.265 121.585 121.223 0.162 0.000 2.418 125 L HA 0.046 4.386 4.340 -0.000 0.000 0.218 125 L C 1.276 178.279 176.870 0.221 0.000 1.125 125 L CA 1.234 56.157 54.840 0.139 0.000 0.835 125 L CB -0.707 41.393 42.059 0.069 0.000 0.953 125 L HN 0.920 nan 8.230 nan 0.000 0.454 126 T N -4.709 109.992 114.554 0.245 0.000 2.887 126 T HA 0.276 4.626 4.350 -0.000 0.000 0.288 126 T C 0.609 175.401 174.700 0.154 0.000 1.021 126 T CA -0.686 61.552 62.100 0.231 0.000 1.000 126 T CB 2.375 71.309 68.868 0.110 0.000 1.034 126 T HN -0.021 nan 8.240 nan 0.000 0.467 127 M N 0.633 120.291 119.600 0.096 0.000 2.213 127 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 127 M C 2.338 178.565 176.300 -0.123 0.000 1.062 127 M CA 1.394 56.566 55.300 -0.212 0.000 1.105 127 M CB -0.208 32.353 32.600 -0.066 0.000 1.385 127 M HN 0.745 nan 8.290 nan 0.000 0.417 128 R N 0.715 121.198 120.500 -0.028 0.000 2.091 128 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 128 R C 1.583 177.867 176.300 -0.026 0.000 1.136 128 R CA 2.223 58.313 56.100 -0.018 0.000 0.959 128 R CB -0.368 29.933 30.300 0.003 0.000 0.856 128 R HN 0.529 nan 8.270 nan 0.000 0.437 129 E N -0.970 119.220 120.200 -0.017 0.000 2.076 129 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 129 E C 1.913 178.491 176.600 -0.038 0.000 0.979 129 E CA 1.089 57.482 56.400 -0.011 0.000 0.807 129 E CB -0.126 29.584 29.700 0.016 0.000 0.761 129 E HN 0.093 nan 8.360 nan 0.000 0.454 130 V N 1.313 121.173 119.914 -0.089 0.000 2.594 130 V HA -0.104 4.016 4.120 -0.000 0.000 0.253 130 V C 0.928 176.951 176.094 -0.118 0.000 1.069 130 V CA 1.038 63.257 62.300 -0.136 0.000 1.082 130 V CB -0.072 31.554 31.823 -0.328 0.000 0.680 130 V HN 0.087 nan 8.190 nan 0.000 0.469 131 L N 0.166 121.332 121.223 -0.096 0.000 2.375 131 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 131 L C -2.184 174.677 176.870 -0.015 0.000 1.058 131 L CA -2.016 52.806 54.840 -0.030 0.000 0.803 131 L CB 1.015 43.077 42.059 0.005 0.000 1.212 131 L HN -0.010 nan 8.230 nan 0.000 0.451 132 P HA -0.025 nan 4.420 nan 0.000 0.271 132 P C -0.022 177.258 177.300 -0.033 0.000 1.233 132 P CA -0.202 62.892 63.100 -0.011 0.000 0.789 132 P CB 0.495 32.198 31.700 0.006 0.000 0.951 133 Q N 1.210 120.968 119.800 -0.071 0.000 2.135 133 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 133 Q C 1.981 177.914 176.000 -0.113 0.000 0.981 133 Q CA 2.215 57.969 55.803 -0.083 0.000 0.856 133 Q CB -1.027 27.667 28.738 -0.073 0.000 0.902 133 Q HN 0.689 nan 8.270 nan 0.000 0.425 134 G N -0.159 108.528 108.800 -0.189 0.000 2.509 134 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 134 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 134 G C 0.584 175.478 174.900 -0.010 0.000 1.124 134 G CA 0.832 45.855 45.100 -0.128 0.000 0.776 134 G HN 0.361 nan 8.290 nan 0.000 0.547 135 D N 0.679 121.085 120.400 0.010 0.000 2.339 135 D HA 0.028 4.667 4.640 -0.000 0.000 0.217 135 D C 2.054 178.370 176.300 0.025 0.000 1.050 135 D CA 0.525 54.569 54.000 0.072 0.000 0.856 135 D CB 0.061 40.900 40.800 0.066 0.000 0.922 135 D HN 0.393 nan 8.370 nan 0.000 0.518 136 D N 0.978 121.361 120.400 -0.030 0.000 2.154 136 D HA -0.224 4.416 4.640 -0.000 0.000 0.190 136 D C 2.045 178.277 176.300 -0.113 0.000 1.003 136 D CA 2.077 56.048 54.000 -0.048 0.000 0.849 136 D CB -0.987 39.799 40.800 -0.024 0.000 0.942 136 D HN 0.276 nan 8.370 nan 0.000 0.446 137 V N -2.530 117.229 119.914 -0.258 0.000 2.594 137 V HA -0.110 4.010 4.120 -0.000 0.000 0.253 137 V C 2.375 178.120 176.094 -0.582 0.000 1.069 137 V CA 1.264 63.288 62.300 -0.461 0.000 1.082 137 V CB -1.232 30.162 31.823 -0.715 0.000 0.680 137 V HN 0.012 nan 8.190 nan 0.000 0.469 138 F N 0.236 119.974 119.950 -0.353 0.000 2.416 138 F HA 0.167 4.694 4.527 -0.000 0.000 0.296 138 F C 2.339 178.069 175.800 -0.117 0.000 1.099 138 F CA 1.048 58.791 58.000 -0.428 0.000 1.427 138 F CB -0.572 38.041 39.000 -0.646 0.000 1.079 138 F HN -0.021 nan 8.300 nan 0.000 0.536 139 V N -0.066 119.882 119.914 0.057 0.000 2.358 139 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 139 V C 2.018 178.142 176.094 0.050 0.000 1.047 139 V CA 1.800 64.137 62.300 0.062 0.000 1.035 139 V CB -0.563 31.274 31.823 0.023 0.000 0.658 139 V HN 0.274 nan 8.190 nan 0.000 0.452 140 E N 0.445 120.645 120.200 -0.000 0.000 2.204 140 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 140 E C 2.126 178.739 176.600 0.023 0.000 0.989 140 E CA 1.060 57.457 56.400 -0.005 0.000 0.824 140 E CB -0.315 29.359 29.700 -0.044 0.000 0.756 140 E HN 0.628 nan 8.360 nan 0.000 0.477 141 G N -0.371 108.467 108.800 0.062 0.000 2.985 141 G HA2 0.158 4.118 3.960 -0.000 0.000 0.209 141 G HA3 0.158 4.118 3.960 -0.000 0.000 0.209 141 G C 0.983 176.017 174.900 0.223 0.000 1.165 141 G CA 0.121 45.321 45.100 0.167 0.000 0.776 141 G HN 0.357 nan 8.290 nan 0.000 0.541 142 G N -0.966 107.941 108.800 0.179 0.000 2.176 142 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.252 142 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.252 142 G C 0.133 175.111 174.900 0.130 0.000 1.024 142 G CA 0.028 45.199 45.100 0.119 0.000 0.755 142 G HN 0.378 nan 8.290 nan 0.000 0.507 143 Y N -0.714 119.617 120.300 0.051 0.000 2.379 143 Y HA 0.529 5.079 4.550 -0.000 0.000 0.337 143 Y C 1.474 177.383 175.900 0.015 0.000 1.238 143 Y CA -0.458 57.668 58.100 0.044 0.000 1.405 143 Y CB 0.590 39.103 38.460 0.088 0.000 1.310 143 Y HN 0.178 nan 8.280 nan 0.000 0.569 144 I N 3.521 124.158 120.570 0.113 0.000 2.342 144 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 144 I C -0.172 175.980 176.117 0.058 0.000 1.010 144 I CA -0.609 60.730 61.300 0.065 0.000 1.308 144 I CB 0.908 38.918 38.000 0.017 0.000 1.400 144 I HN 0.380 nan 8.210 nan 0.000 0.488 145 R N 5.640 126.163 120.500 0.038 0.000 2.346 145 R HA 0.618 4.958 4.340 -0.000 0.000 0.311 145 R C -1.563 174.722 176.300 -0.025 0.000 0.983 145 R CA -0.447 55.641 56.100 -0.020 0.000 0.880 145 R CB 1.209 31.514 30.300 0.008 0.000 1.100 145 R HN 0.383 nan 8.270 nan 0.000 0.453 146 V N 5.725 125.566 119.914 -0.123 0.000 2.531 146 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 146 V C -0.922 175.043 176.094 -0.215 0.000 1.034 146 V CA -0.613 61.633 62.300 -0.089 0.000 0.865 146 V CB 1.437 33.224 31.823 -0.060 0.000 0.995 146 V HN 0.619 nan 8.190 nan 0.000 0.424 147 F N 3.199 123.136 119.950 -0.021 0.000 2.493 147 F HA 0.607 5.134 4.527 -0.000 0.000 0.329 147 F C 0.114 175.902 175.800 -0.019 0.000 1.126 147 F CA -0.231 57.767 58.000 -0.004 0.000 0.937 147 F CB 1.933 40.937 39.000 0.007 0.000 1.146 147 F HN 0.434 nan 8.300 nan 0.000 0.442 148 Q N 3.369 123.279 119.800 0.185 0.000 2.347 148 Q HA 0.272 4.612 4.340 -0.000 0.000 0.271 148 Q C -1.625 174.472 176.000 0.162 0.000 1.064 148 Q CA -0.992 54.878 55.803 0.112 0.000 0.800 148 Q CB 1.863 30.624 28.738 0.038 0.000 1.304 148 Q HN 0.490 nan 8.270 nan 0.000 0.438 149 D N 4.128 124.638 120.400 0.183 0.000 2.383 149 D HA 0.184 4.824 4.640 -0.000 0.000 0.252 149 D C 0.498 176.885 176.300 0.146 0.000 1.166 149 D CA 0.088 54.194 54.000 0.177 0.000 0.879 149 D CB 0.546 41.484 40.800 0.230 0.000 1.164 149 D HN 0.542 nan 8.370 nan 0.000 0.462 150 I N -1.006 119.646 120.570 0.137 0.000 3.004 150 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 150 I C 0.863 177.079 176.117 0.166 0.000 1.144 150 I CA -0.913 60.488 61.300 0.169 0.000 1.353 150 I CB 0.631 38.772 38.000 0.235 0.000 1.417 150 I HN 0.152 nan 8.210 nan 0.000 0.602 151 R N 2.634 123.247 120.500 0.189 0.000 2.494 151 R HA 0.109 4.449 4.340 -0.000 0.000 0.291 151 R C 1.010 177.444 176.300 0.223 0.000 0.953 151 R CA 1.304 57.510 56.100 0.178 0.000 1.098 151 R CB -0.335 30.068 30.300 0.172 0.000 0.911 151 R HN 1.154 nan 8.270 nan 0.000 0.407 152 G N 2.982 111.873 108.800 0.152 0.000 2.176 152 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 152 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 152 G C -0.382 174.514 174.900 -0.006 0.000 0.979 152 G CA 0.232 45.416 45.100 0.139 0.000 0.641 152 G HN 0.519 nan 8.290 nan 0.000 0.530 153 K N -0.501 119.875 120.400 -0.040 0.000 2.270 153 K HA 0.667 4.987 4.320 -0.000 0.000 0.255 153 K C 0.890 177.507 176.600 0.028 0.000 0.936 153 K CA -0.867 55.336 56.287 -0.140 0.000 0.809 153 K CB 1.344 33.733 32.500 -0.184 0.000 1.131 153 K HN 0.190 nan 8.250 nan 0.000 0.427 154 Y N 0.362 120.583 120.300 -0.131 0.000 2.775 154 Y HA -0.452 4.098 4.550 -0.000 0.000 0.474 154 Y C 1.798 177.620 175.900 -0.130 0.000 1.110 154 Y CA 2.228 60.255 58.100 -0.120 0.000 2.835 154 Y CB -1.493 36.900 38.460 -0.112 0.000 1.133 154 Y HN 0.783 nan 8.280 nan 0.000 0.613 155 G N -0.147 108.665 108.800 0.020 0.000 2.813 155 G HA2 0.209 4.169 3.960 -0.000 0.000 0.209 155 G HA3 0.209 4.169 3.960 -0.000 0.000 0.209 155 G C 0.252 175.175 174.900 0.038 0.000 1.150 155 G CA 0.756 45.773 45.100 -0.139 0.000 0.785 155 G HN 0.295 nan 8.290 nan 0.000 0.535 156 S N 0.087 115.843 115.700 0.093 0.000 2.610 156 S HA 0.402 4.872 4.470 -0.000 0.000 0.273 156 S C 0.256 174.890 174.600 0.056 0.000 1.274 156 S CA -0.508 57.751 58.200 0.099 0.000 1.023 156 S CB 1.536 64.805 63.200 0.115 0.000 0.962 156 S HN 0.430 nan 8.310 nan 0.000 0.523 157 Q N 0.212 120.046 119.800 0.056 0.000 2.162 157 Q HA 0.658 4.998 4.340 -0.000 0.000 0.197 157 Q C 0.588 176.622 176.000 0.058 0.000 1.013 157 Q CA -0.336 55.493 55.803 0.043 0.000 1.040 157 Q CB 0.594 29.354 28.738 0.037 0.000 1.114 157 Q HN 0.971 nan 8.270 nan 0.000 0.547 158 G N 0.515 109.347 108.800 0.053 0.000 2.710 158 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.668 158 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.668 158 G C -1.497 173.451 174.900 0.079 0.000 1.320 158 G CA -0.782 44.358 45.100 0.066 0.000 0.860 158 G HN 0.553 nan 8.290 nan 0.000 0.538 159 D N -0.346 120.106 120.400 0.086 0.000 2.255 159 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 159 D C -0.188 176.205 176.300 0.155 0.000 1.078 159 D CA 0.176 54.234 54.000 0.097 0.000 0.896 159 D CB 1.372 42.211 40.800 0.064 0.000 1.194 159 D HN 0.493 nan 8.370 nan 0.000 0.429 160 Y N 1.469 121.788 120.300 0.032 0.000 2.326 160 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 160 Y C -0.938 174.997 175.900 0.058 0.000 1.023 160 Y CA -0.525 57.602 58.100 0.044 0.000 1.143 160 Y CB 0.878 39.346 38.460 0.014 0.000 1.183 160 Y HN 0.048 nan 8.280 nan 0.000 0.485 161 V N 8.159 127.703 119.914 -0.617 0.000 2.444 161 V HA 0.182 4.302 4.120 -0.000 0.000 0.294 161 V C -0.128 175.494 176.094 -0.786 0.000 1.022 161 V CA -1.026 60.969 62.300 -0.508 0.000 0.850 161 V CB 1.312 33.048 31.823 -0.145 0.000 0.992 161 V HN 0.892 nan 8.190 nan 0.000 0.426 162 M N 5.710 124.876 119.600 -0.724 0.000 2.290 162 M HA 0.129 4.609 4.480 -0.000 0.000 0.356 162 M C 1.012 177.150 176.300 -0.271 0.000 1.448 162 M CA 1.007 55.977 55.300 -0.550 0.000 0.993 162 M CB -0.497 31.476 32.600 -1.045 0.000 1.934 162 M HN 1.188 nan 8.290 nan 0.000 0.461 163 T N 2.541 117.035 114.554 -0.101 0.000 3.473 163 T HA -0.262 4.088 4.350 -0.000 0.000 0.403 163 T C 0.172 174.887 174.700 0.024 0.000 0.768 163 T CA 0.975 62.845 62.100 -0.382 0.000 2.009 163 T CB -1.621 66.942 68.868 -0.510 0.000 1.715 163 T HN 0.984 nan 8.240 nan 0.000 0.666 164 R N 1.560 122.154 120.500 0.158 0.000 2.526 164 R HA 0.091 4.431 4.340 -0.000 0.000 0.319 164 R C -2.030 174.416 176.300 0.242 0.000 0.888 164 R CA -0.809 55.393 56.100 0.170 0.000 1.127 164 R CB 0.167 30.575 30.300 0.179 0.000 0.888 164 R HN 0.364 nan 8.270 nan 0.000 0.410 165 P HA 0.069 nan 4.420 nan 0.000 0.269 165 P C -2.404 174.960 177.300 0.107 0.000 1.209 165 P CA -1.034 62.127 63.100 0.101 0.000 0.776 165 P CB 0.352 32.048 31.700 -0.006 0.000 0.876 166 P HA 0.001 nan 4.420 nan 0.000 0.272 166 P C -0.328 177.026 177.300 0.090 0.000 1.240 166 P CA 0.029 63.188 63.100 0.099 0.000 0.791 166 P CB 0.193 31.945 31.700 0.087 0.000 0.978 167 H N -0.115 118.973 119.070 0.030 0.000 3.125 167 H HA 0.346 4.902 4.556 -0.000 0.000 0.310 167 H C 0.831 176.165 175.328 0.011 0.000 0.980 167 H CA 2.303 58.362 56.048 0.018 0.000 1.422 167 H CB -0.504 29.265 29.762 0.011 0.000 1.432 167 H HN 0.776 nan 8.280 nan 0.000 0.577 168 G N 3.679 112.182 108.800 -0.496 0.000 2.404 168 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.253 168 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.253 168 G C -2.007 172.744 174.900 -0.248 0.000 1.253 168 G CA -0.373 44.531 45.100 -0.327 0.000 0.917 168 G HN 0.436 nan 8.290 nan 0.000 0.480 169 P HA 0.117 nan 4.420 nan 0.000 0.222 169 P C 1.545 178.793 177.300 -0.087 0.000 1.147 169 P CA 0.931 63.968 63.100 -0.105 0.000 0.790 169 P CB 0.052 31.702 31.700 -0.083 0.000 0.780 170 L N -2.631 118.537 121.223 -0.091 0.000 2.640 170 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 170 L C 0.571 177.419 176.870 -0.038 0.000 1.123 170 L CA 0.122 54.927 54.840 -0.059 0.000 0.900 170 L CB -0.161 41.839 42.059 -0.099 0.000 1.146 170 L HN -0.070 nan 8.230 nan 0.000 0.484 171 N N 0.318 118.976 118.700 -0.070 0.000 2.732 171 N HA 0.167 4.907 4.740 -0.000 0.000 0.247 171 N C -2.415 173.035 175.510 -0.101 0.000 1.305 171 N CA -1.115 51.912 53.050 -0.038 0.000 0.762 171 N CB 1.502 39.998 38.487 0.016 0.000 1.361 171 N HN -0.243 nan 8.380 nan 0.000 0.545 172 P HA 0.074 nan 4.420 nan 0.000 0.255 172 P C 0.481 177.835 177.300 0.089 0.000 1.248 172 P CA 0.229 63.298 63.100 -0.052 0.000 0.807 172 P CB -0.055 31.628 31.700 -0.030 0.000 1.150 173 T N -2.486 112.137 114.554 0.115 0.000 2.732 173 T HA 0.205 4.555 4.350 -0.000 0.000 0.287 173 T C 1.188 175.990 174.700 0.171 0.000 0.993 173 T CA -0.336 61.837 62.100 0.122 0.000 0.966 173 T CB 0.894 69.814 68.868 0.087 0.000 1.047 173 T HN -0.197 nan 8.240 nan 0.000 0.527 174 K N 0.547 120.996 120.400 0.081 0.000 2.426 174 K HA 0.123 4.443 4.320 -0.000 0.000 0.193 174 K C 1.002 177.602 176.600 0.000 0.000 1.028 174 K CA 0.344 56.636 56.287 0.010 0.000 1.047 174 K CB 0.002 32.495 32.500 -0.010 0.000 0.821 174 K HN 0.911 nan 8.250 nan 0.000 0.513 175 T N -0.547 114.040 114.554 0.055 0.000 2.916 175 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 175 T C -0.774 173.984 174.700 0.096 0.000 1.064 175 T CA -0.863 61.273 62.100 0.060 0.000 1.011 175 T CB 2.562 71.469 68.868 0.064 0.000 1.152 175 T HN 0.046 nan 8.240 nan 0.000 0.510 176 D N -0.640 119.819 120.400 0.099 0.000 2.851 176 D HA 0.249 4.889 4.640 -0.000 0.000 0.339 176 D C 0.500 176.873 176.300 0.122 0.000 1.347 176 D CA -0.666 53.406 54.000 0.119 0.000 0.888 176 D CB 0.032 40.907 40.800 0.125 0.000 1.431 176 D HN 0.347 nan 8.370 nan 0.000 0.509 177 E N -0.517 119.759 120.200 0.127 0.000 2.268 177 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 177 E C 1.427 178.077 176.600 0.083 0.000 0.995 177 E CA 1.225 57.693 56.400 0.113 0.000 0.836 177 E CB -0.354 29.393 29.700 0.078 0.000 0.763 177 E HN 0.560 nan 8.360 nan 0.000 0.491 178 T N 0.514 115.117 114.554 0.081 0.000 2.732 178 T HA -0.109 4.241 4.350 -0.000 0.000 0.261 178 T C 2.115 176.912 174.700 0.162 0.000 1.040 178 T CA 2.026 64.187 62.100 0.103 0.000 1.145 178 T CB -0.364 68.556 68.868 0.087 0.000 0.866 178 T HN 0.409 nan 8.240 nan 0.000 0.427 179 T N 0.580 115.208 114.554 0.125 0.000 2.867 179 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 179 T C 1.552 176.372 174.700 0.200 0.000 1.057 179 T CA 1.192 63.373 62.100 0.135 0.000 1.136 179 T CB -0.460 68.428 68.868 0.034 0.000 0.874 179 T HN 0.109 nan 8.240 nan 0.000 0.466 180 D N 1.965 122.459 120.400 0.157 0.000 2.117 180 D HA 0.077 4.717 4.640 -0.000 0.000 0.197 180 D C 2.439 178.833 176.300 0.157 0.000 0.987 180 D CA 1.462 55.551 54.000 0.148 0.000 0.829 180 D CB -0.617 40.262 40.800 0.131 0.000 0.961 180 D HN 0.577 nan 8.370 nan 0.000 0.460 181 A N -0.390 122.525 122.820 0.159 0.000 1.929 181 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 181 A C 2.169 179.848 177.584 0.159 0.000 1.176 181 A CA 0.997 53.111 52.037 0.127 0.000 0.628 181 A CB -1.125 17.935 19.000 0.101 0.000 0.816 181 A HN 0.370 nan 8.150 nan 0.000 0.444 182 W N 1.171 122.513 121.300 0.068 0.000 2.355 182 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 182 W C 1.433 178.011 176.519 0.098 0.000 1.206 182 W CA 1.890 59.304 57.345 0.114 0.000 1.284 182 W CB 0.062 29.596 29.460 0.123 0.000 1.145 182 W HN 0.367 nan 8.180 nan 0.000 0.502 183 D N -1.004 119.696 120.400 0.500 0.000 2.178 183 D HA -0.150 4.489 4.640 -0.000 0.000 0.202 183 D C 2.113 178.529 176.300 0.193 0.000 0.974 183 D CA 1.916 56.143 54.000 0.379 0.000 0.841 183 D CB -0.785 40.182 40.800 0.280 0.000 0.953 183 D HN 0.140 nan 8.370 nan 0.000 0.478 184 T N 0.439 115.063 114.554 0.117 0.000 2.737 184 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 184 T C 2.268 176.979 174.700 0.018 0.000 1.038 184 T CA 0.723 62.861 62.100 0.063 0.000 1.144 184 T CB -0.269 68.618 68.868 0.032 0.000 0.866 184 T HN -0.035 nan 8.240 nan 0.000 0.434 185 V N 1.725 121.560 119.914 -0.132 0.000 2.343 185 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 185 V C 2.334 178.115 176.094 -0.522 0.000 1.051 185 V CA 1.998 64.103 62.300 -0.325 0.000 1.036 185 V CB -0.646 30.912 31.823 -0.442 0.000 0.654 185 V HN 0.488 nan 8.190 nan 0.000 0.451 186 D N -1.402 118.608 120.400 -0.650 0.000 2.117 186 D HA -0.259 4.381 4.640 -0.000 0.000 0.197 186 D C 1.868 178.197 176.300 0.047 0.000 0.987 186 D CA 1.590 55.328 54.000 -0.437 0.000 0.829 186 D CB -0.190 40.546 40.800 -0.106 0.000 0.961 186 D HN 0.563 nan 8.370 nan 0.000 0.460 187 W N 0.527 121.794 121.300 -0.056 0.000 2.379 187 W HA -0.048 4.612 4.660 -0.000 0.000 0.307 187 W C 1.925 178.432 176.519 -0.021 0.000 1.200 187 W CA 1.050 58.402 57.345 0.012 0.000 1.297 187 W CB -0.289 29.175 29.460 0.007 0.000 1.140 187 W HN -0.006 nan 8.180 nan 0.000 0.507 188 L N 0.354 121.720 121.223 0.239 0.000 2.012 188 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 188 L C 2.452 179.227 176.870 -0.158 0.000 1.073 188 L CA 1.738 56.630 54.840 0.086 0.000 0.748 188 L CB -1.383 40.720 42.059 0.074 0.000 0.891 188 L HN 0.073 nan 8.230 nan 0.000 0.431 189 V N -4.308 115.465 119.914 -0.235 0.000 3.141 189 V HA -0.178 3.942 4.120 -0.000 0.000 0.265 189 V C 1.424 177.238 176.094 -0.468 0.000 1.126 189 V CA 1.401 63.493 62.300 -0.346 0.000 1.141 189 V CB -0.940 30.641 31.823 -0.403 0.000 0.743 189 V HN 0.488 nan 8.190 nan 0.000 0.492 190 H N -0.224 118.686 119.070 -0.266 0.000 2.827 190 H HA 0.401 4.957 4.556 -0.000 0.000 0.269 190 H C 1.212 176.289 175.328 -0.418 0.000 1.031 190 H CA 0.424 56.302 56.048 -0.283 0.000 1.202 190 H CB 0.446 30.063 29.762 -0.241 0.000 1.511 190 H HN 0.398 nan 8.280 nan 0.000 0.517 191 N N 0.265 118.661 118.700 -0.507 0.000 2.143 191 N HA 0.107 4.847 4.740 -0.000 0.000 0.229 191 N C -0.830 174.432 175.510 -0.412 0.000 1.294 191 N CA 0.300 52.945 53.050 -0.675 0.000 0.883 191 N CB 2.562 40.080 38.487 -1.614 0.000 1.148 191 N HN -0.059 nan 8.380 nan 0.000 0.511 192 V N 2.720 122.477 119.914 -0.261 0.000 2.276 192 V HA 0.254 4.374 4.120 -0.000 0.000 0.268 192 V C -1.758 174.270 176.094 -0.110 0.000 1.032 192 V CA -1.143 61.078 62.300 -0.131 0.000 0.810 192 V CB 1.814 33.594 31.823 -0.070 0.000 1.060 192 V HN -0.134 nan 8.190 nan 0.000 0.446 193 P HA -0.094 nan 4.420 nan 0.000 0.219 193 P C 1.129 178.392 177.300 -0.062 0.000 1.146 193 P CA 0.954 64.008 63.100 -0.076 0.000 0.808 193 P CB 0.434 32.099 31.700 -0.058 0.000 0.779 194 E N -0.500 119.670 120.200 -0.049 0.000 2.482 194 E HA -0.019 4.330 4.350 -0.000 0.000 0.196 194 E C 0.917 177.483 176.600 -0.056 0.000 1.047 194 E CA 0.239 56.614 56.400 -0.041 0.000 0.869 194 E CB -0.333 29.354 29.700 -0.020 0.000 0.836 194 E HN 0.293 nan 8.360 nan 0.000 0.520 195 S N 0.803 116.460 115.700 -0.072 0.000 2.672 195 S HA 0.159 4.629 4.470 -0.000 0.000 0.276 195 S C 0.767 175.306 174.600 -0.102 0.000 1.207 195 S CA -0.680 57.465 58.200 -0.090 0.000 1.002 195 S CB 0.956 64.100 63.200 -0.094 0.000 0.998 195 S HN 0.158 nan 8.310 nan 0.000 0.542 196 N N 0.037 118.669 118.700 -0.115 0.000 2.270 196 N HA 0.215 4.955 4.740 -0.000 0.000 0.198 196 N C 1.170 176.608 175.510 -0.119 0.000 1.117 196 N CA 0.427 53.410 53.050 -0.112 0.000 0.845 196 N CB -0.251 38.168 38.487 -0.114 0.000 0.980 196 N HN 1.351 nan 8.380 nan 0.000 0.486 197 G N 0.404 109.123 108.800 -0.135 0.000 2.179 197 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 197 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 197 G C -0.405 174.412 174.900 -0.139 0.000 0.977 197 G CA -0.063 44.944 45.100 -0.154 0.000 0.641 197 G HN 0.456 nan 8.290 nan 0.000 0.533 198 R N 0.125 120.549 120.500 -0.126 0.000 2.338 198 R HA 0.630 4.970 4.340 -0.000 0.000 0.317 198 R C -0.652 175.577 176.300 -0.117 0.000 0.968 198 R CA -0.606 55.423 56.100 -0.117 0.000 0.849 198 R CB 2.294 32.528 30.300 -0.109 0.000 1.128 198 R HN 0.145 nan 8.270 nan 0.000 0.448 199 V N 1.500 121.343 119.914 -0.118 0.000 2.555 199 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 199 V C 0.485 176.502 176.094 -0.127 0.000 1.038 199 V CA -0.807 61.428 62.300 -0.108 0.000 0.887 199 V CB 2.038 33.790 31.823 -0.119 0.000 0.991 199 V HN 0.941 nan 8.190 nan 0.000 0.434 200 G N 3.711 112.454 108.800 -0.094 0.000 2.452 200 G HA2 0.720 4.680 3.960 -0.000 0.000 0.324 200 G HA3 0.720 4.680 3.960 -0.000 0.000 0.324 200 G C -0.991 173.912 174.900 0.005 0.000 1.214 200 G CA -0.676 44.332 45.100 -0.154 0.000 0.947 200 G HN 0.533 nan 8.290 nan 0.000 0.478 201 M N 1.400 121.024 119.600 0.041 0.000 2.383 201 M HA 0.547 5.027 4.480 -0.000 0.000 0.325 201 M C -0.211 176.207 176.300 0.197 0.000 1.092 201 M CA -0.489 54.855 55.300 0.075 0.000 0.961 201 M CB 2.648 35.254 32.600 0.009 0.000 1.672 201 M HN 0.612 nan 8.290 nan 0.000 0.438 202 T N 1.304 115.920 114.554 0.104 0.000 2.754 202 T HA 0.926 5.276 4.350 -0.000 0.000 0.296 202 T C -1.251 173.483 174.700 0.057 0.000 1.205 202 T CA 0.029 62.193 62.100 0.107 0.000 1.009 202 T CB 2.136 71.100 68.868 0.160 0.000 1.368 202 T HN 0.999 nan 8.240 nan 0.000 0.509 203 G N 0.727 109.576 108.800 0.082 0.000 2.329 203 G HA2 0.408 4.368 3.960 -0.000 0.000 0.308 203 G HA3 0.408 4.368 3.960 -0.000 0.000 0.308 203 G C -1.256 173.734 174.900 0.150 0.000 1.587 203 G CA 0.028 45.207 45.100 0.133 0.000 0.978 203 G HN 0.773 nan 8.290 nan 0.000 0.685 204 S N -0.064 115.749 115.700 0.188 0.000 2.537 204 S HA 0.926 5.396 4.470 -0.000 0.000 0.301 204 S C 1.102 175.877 174.600 0.292 0.000 1.092 204 S CA 1.398 59.700 58.200 0.171 0.000 1.048 204 S CB 1.112 64.351 63.200 0.065 0.000 1.053 204 S HN 2.643 nan 8.310 nan 0.000 0.501 205 A N 3.445 126.455 122.820 0.318 0.000 5.122 205 A HA -0.313 4.007 4.320 -0.000 0.000 0.315 205 A C 1.147 179.003 177.584 0.453 0.000 1.926 205 A CA 1.780 54.084 52.037 0.444 0.000 0.712 205 A CB -2.063 17.286 19.000 0.582 0.000 1.325 205 A HN 1.275 nan 8.150 nan 0.000 0.371 206 Y N 1.556 122.114 120.300 0.430 0.000 2.293 206 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 206 Y C 2.554 178.712 175.900 0.430 0.000 1.137 206 Y CA 2.197 60.541 58.100 0.406 0.000 1.202 206 Y CB -0.067 38.599 38.460 0.342 0.000 0.990 206 Y HN 0.661 nan 8.280 nan 0.000 0.537 207 E N -1.082 119.481 120.200 0.604 0.000 2.347 207 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 207 E C 2.156 178.954 176.600 0.330 0.000 1.008 207 E CA 0.670 57.334 56.400 0.441 0.000 0.852 207 E CB -0.143 29.795 29.700 0.397 0.000 0.783 207 E HN 0.590 nan 8.360 nan 0.000 0.505 208 G N 0.730 109.732 108.800 0.336 0.000 2.539 208 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 208 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 208 G C 1.271 176.332 174.900 0.268 0.000 1.141 208 G CA -0.173 45.078 45.100 0.251 0.000 0.806 208 G HN 0.260 nan 8.290 nan 0.000 0.533 209 F N 3.179 123.234 119.950 0.175 0.000 2.171 209 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 209 F C 2.764 178.647 175.800 0.139 0.000 1.090 209 F CA 2.200 60.271 58.000 0.118 0.000 1.293 209 F CB -0.459 38.511 39.000 -0.049 0.000 1.013 209 F HN 0.157 nan 8.300 nan 0.000 0.486 210 T N -1.992 112.601 114.554 0.065 0.000 2.915 210 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 210 T C 1.966 176.638 174.700 -0.046 0.000 1.071 210 T CA 1.274 63.351 62.100 -0.038 0.000 1.132 210 T CB -1.166 67.818 68.868 0.193 0.000 0.878 210 T HN 0.182 nan 8.240 nan 0.000 0.479 211 V N 1.396 121.318 119.914 0.013 0.000 2.307 211 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 211 V C 2.909 178.987 176.094 -0.026 0.000 1.045 211 V CA 1.175 63.474 62.300 -0.003 0.000 1.024 211 V CB -0.730 31.093 31.823 -0.001 0.000 0.651 211 V HN 0.371 nan 8.190 nan 0.000 0.449 212 V N -0.542 119.367 119.914 -0.008 0.000 2.343 212 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 212 V C 2.538 178.631 176.094 -0.002 0.000 1.051 212 V CA 1.820 64.161 62.300 0.068 0.000 1.036 212 V CB -0.632 31.311 31.823 0.200 0.000 0.654 212 V HN 0.404 nan 8.190 nan 0.000 0.451 213 M N -0.149 119.353 119.600 -0.162 0.000 2.159 213 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 213 M C 2.386 178.670 176.300 -0.028 0.000 1.063 213 M CA 2.128 57.332 55.300 -0.160 0.000 1.110 213 M CB -1.367 31.023 32.600 -0.351 0.000 1.374 213 M HN 0.423 nan 8.290 nan 0.000 0.411 214 A N -0.008 122.806 122.820 -0.011 0.000 1.930 214 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 214 A C 2.202 179.826 177.584 0.066 0.000 1.175 214 A CA 1.037 53.103 52.037 0.047 0.000 0.627 214 A CB -0.856 18.164 19.000 0.034 0.000 0.815 214 A HN 0.477 nan 8.150 nan 0.000 0.443 215 L N -0.314 120.940 121.223 0.051 0.000 2.456 215 L HA -0.113 4.227 4.340 -0.000 0.000 0.224 215 L C 2.170 179.097 176.870 0.096 0.000 1.148 215 L CA 0.330 55.213 54.840 0.072 0.000 0.825 215 L CB -0.402 41.709 42.059 0.086 0.000 0.937 215 L HN 0.394 nan 8.230 nan 0.000 0.450 216 L N -0.801 120.477 121.223 0.092 0.000 2.093 216 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 216 L C 0.383 177.310 176.870 0.095 0.000 1.085 216 L CA 0.956 55.852 54.840 0.093 0.000 0.755 216 L CB -0.070 42.038 42.059 0.081 0.000 0.904 216 L HN 0.223 nan 8.230 nan 0.000 0.435 217 D N -0.857 119.613 120.400 0.117 0.000 2.826 217 D HA 0.162 4.802 4.640 -0.000 0.000 0.239 217 D C -2.607 173.849 176.300 0.260 0.000 1.329 217 D CA -1.129 52.959 54.000 0.148 0.000 0.854 217 D CB 1.101 41.963 40.800 0.103 0.000 1.494 217 D HN -0.136 nan 8.370 nan 0.000 0.540 218 P HA 0.167 nan 4.420 nan 0.000 0.279 218 P C -0.109 177.293 177.300 0.170 0.000 1.252 218 P CA -0.369 62.842 63.100 0.186 0.000 0.811 218 P CB 0.862 32.605 31.700 0.070 0.000 1.035 219 H N 2.623 121.566 119.070 -0.213 0.000 2.732 219 H HA 0.078 4.634 4.556 -0.000 0.000 0.351 219 H C -1.426 173.741 175.328 -0.268 0.000 1.090 219 H CA -1.132 54.549 56.048 -0.611 0.000 1.431 219 H CB 0.686 29.864 29.762 -0.973 0.000 1.447 219 H HN 0.176 nan 8.280 nan 0.000 0.582 220 P HA -0.137 nan 4.420 nan 0.000 0.220 220 P C 0.812 178.059 177.300 -0.087 0.000 1.144 220 P CA 1.773 64.741 63.100 -0.220 0.000 0.800 220 P CB 0.078 31.614 31.700 -0.273 0.000 0.772 221 A N -1.288 121.581 122.820 0.082 0.000 2.119 221 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 221 A C 1.029 178.580 177.584 -0.055 0.000 1.152 221 A CA 0.115 52.167 52.037 0.026 0.000 0.708 221 A CB -0.985 18.024 19.000 0.017 0.000 0.805 221 A HN 0.159 nan 8.150 nan 0.000 0.460 222 L N 0.870 122.060 121.223 -0.056 0.000 2.433 222 L HA 0.195 4.535 4.340 -0.000 0.000 0.284 222 L C 0.764 177.554 176.870 -0.134 0.000 1.120 222 L CA 0.156 54.935 54.840 -0.101 0.000 0.879 222 L CB 0.176 42.188 42.059 -0.078 0.000 1.232 222 L HN 0.042 nan 8.230 nan 0.000 0.454 223 K N 3.632 123.927 120.400 -0.175 0.000 2.323 223 K HA 0.274 4.594 4.320 -0.000 0.000 0.197 223 K C -0.080 176.296 176.600 -0.373 0.000 1.043 223 K CA 0.347 56.504 56.287 -0.215 0.000 0.997 223 K CB 0.469 32.886 32.500 -0.139 0.000 0.807 223 K HN 0.403 nan 8.250 nan 0.000 0.497 224 V N -0.474 119.191 119.914 -0.415 0.000 3.147 224 V HA 0.662 4.782 4.120 -0.000 0.000 0.299 224 V C -2.037 173.805 176.094 -0.419 0.000 1.302 224 V CA -0.800 61.170 62.300 -0.549 0.000 1.015 224 V CB 2.210 33.518 31.823 -0.858 0.000 1.086 224 V HN 0.166 nan 8.190 nan 0.000 0.437 225 A N 3.904 126.624 122.820 -0.166 0.000 2.475 225 A HA 1.026 5.346 4.320 -0.000 0.000 0.301 225 A C -0.544 177.164 177.584 0.207 0.000 1.059 225 A CA -0.138 51.916 52.037 0.029 0.000 0.710 225 A CB 2.102 21.056 19.000 -0.078 0.000 1.288 225 A HN 2.254 nan 8.150 nan 0.000 0.408 226 A N 2.525 125.486 122.820 0.235 0.000 2.984 226 A HA 0.705 5.025 4.320 -0.000 0.000 0.320 226 A C -3.123 174.393 177.584 -0.114 0.000 1.142 226 A CA -1.307 50.750 52.037 0.033 0.000 0.772 226 A CB 0.445 19.444 19.000 -0.002 0.000 1.195 226 A HN 0.412 nan 8.150 nan 0.000 0.459 227 P HA 0.323 nan 4.420 nan 0.000 0.276 227 P C -0.507 176.786 177.300 -0.012 0.000 1.253 227 P CA 0.423 63.444 63.100 -0.131 0.000 0.766 227 P CB 0.732 32.261 31.700 -0.286 0.000 0.845 228 E N 1.510 121.737 120.200 0.045 0.000 2.151 228 E HA 0.276 4.626 4.350 -0.000 0.000 0.275 228 E C -0.045 176.635 176.600 0.133 0.000 0.936 228 E CA -0.698 55.732 56.400 0.050 0.000 0.777 228 E CB 0.641 30.335 29.700 -0.009 0.000 1.108 228 E HN 0.233 nan 8.360 nan 0.000 0.401 229 S N 2.581 118.377 115.700 0.160 0.000 3.410 229 S HA -0.139 4.331 4.470 -0.000 0.000 0.369 229 S C -2.178 172.596 174.600 0.290 0.000 0.961 229 S CA 0.193 58.530 58.200 0.228 0.000 1.248 229 S CB -1.509 61.811 63.200 0.200 0.000 0.914 229 S HN 0.473 nan 8.310 nan 0.000 0.497 230 P HA 0.212 nan 4.420 nan 0.000 0.275 230 P C -0.104 177.376 177.300 0.300 0.000 1.228 230 P CA -0.445 62.854 63.100 0.331 0.000 0.786 230 P CB 0.510 32.446 31.700 0.393 0.000 0.927 231 M N 2.701 122.464 119.600 0.272 0.000 2.193 231 M HA 0.091 4.571 4.480 -0.000 0.000 0.342 231 M C 0.877 177.341 176.300 0.274 0.000 1.413 231 M CA -0.119 55.273 55.300 0.153 0.000 1.191 231 M CB 0.463 33.031 32.600 -0.052 0.000 1.633 231 M HN 0.126 nan 8.290 nan 0.000 0.458 232 V N 0.428 120.492 119.914 0.249 0.000 3.013 232 V HA 0.131 4.251 4.120 -0.000 0.000 0.238 232 V C 0.168 176.411 176.094 0.248 0.000 1.161 232 V CA 0.855 63.332 62.300 0.294 0.000 1.170 232 V CB 0.545 32.554 31.823 0.310 0.000 0.917 232 V HN 0.756 nan 8.190 nan 0.000 0.478 233 D N -0.039 120.460 120.400 0.165 0.000 2.330 233 D HA 0.300 4.940 4.640 -0.000 0.000 0.249 233 D C 1.021 177.286 176.300 -0.059 0.000 1.306 233 D CA 0.376 54.416 54.000 0.068 0.000 0.956 233 D CB 1.429 42.170 40.800 -0.100 0.000 1.261 233 D HN 0.183 nan 8.370 nan 0.000 0.544 234 G N 1.461 110.304 108.800 0.071 0.000 2.535 234 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 234 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 234 G C 1.073 175.974 174.900 0.002 0.000 1.122 234 G CA 0.245 45.308 45.100 -0.062 0.000 0.769 234 G HN 0.521 nan 8.290 nan 0.000 0.549 235 W N -0.268 120.869 121.300 -0.272 0.000 2.644 235 W HA 0.253 4.913 4.660 -0.000 0.000 0.279 235 W C 2.396 178.512 176.519 -0.673 0.000 1.164 235 W CA 0.166 57.233 57.345 -0.463 0.000 1.457 235 W CB 0.216 29.286 29.460 -0.651 0.000 1.087 235 W HN -0.026 nan 8.180 nan 0.000 0.573 236 M N -0.113 119.114 119.600 -0.621 0.000 2.086 236 M HA 0.092 4.572 4.480 -0.000 0.000 0.261 236 M C 1.550 176.868 176.300 -1.636 0.000 1.067 236 M CA 1.988 56.450 55.300 -1.398 0.000 1.116 236 M CB -1.472 29.876 32.600 -2.086 0.000 1.348 236 M HN 0.268 nan 8.290 nan 0.000 0.407 237 G N -1.408 106.625 108.800 -1.278 0.000 5.310 237 G HA2 0.100 4.060 3.960 -0.000 0.000 0.203 237 G HA3 0.100 4.060 3.960 -0.000 0.000 0.203 237 G C -0.115 174.493 174.900 -0.485 0.000 0.800 237 G CA -0.371 44.148 45.100 -0.969 0.000 0.754 237 G HN 0.202 nan 8.290 nan 0.000 0.308 238 D N 0.150 120.389 120.400 -0.268 0.000 2.976 238 D HA 0.156 4.796 4.640 -0.000 0.000 0.239 238 D C 1.083 177.306 176.300 -0.129 0.000 1.198 238 D CA -0.186 53.751 54.000 -0.104 0.000 1.171 238 D CB 0.611 41.342 40.800 -0.115 0.000 1.012 238 D HN -0.100 nan 8.370 nan 0.000 0.318 239 D N -0.510 119.627 120.400 -0.438 0.000 2.137 239 D HA -0.039 4.601 4.640 -0.000 0.000 0.202 239 D C 2.253 178.245 176.300 -0.512 0.000 0.970 239 D CA 0.774 54.373 54.000 -0.669 0.000 0.837 239 D CB 0.073 40.120 40.800 -1.255 0.000 0.981 239 D HN 0.394 nan 8.370 nan 0.000 0.475 240 W N -0.093 121.140 121.300 -0.111 0.000 2.480 240 W HA 0.093 4.753 4.660 -0.000 0.000 0.299 240 W C 0.583 176.723 176.519 -0.631 0.000 1.187 240 W CA -0.447 56.725 57.345 -0.289 0.000 1.347 240 W CB -0.031 29.455 29.460 0.042 0.000 1.121 240 W HN -0.215 nan 8.180 nan 0.000 0.533 241 F N -1.467 118.433 119.950 -0.083 0.000 2.629 241 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 241 F C -0.353 175.332 175.800 -0.192 0.000 1.081 241 F CA -1.398 56.451 58.000 -0.252 0.000 0.954 241 F CB 1.209 39.729 39.000 -0.800 0.000 1.337 241 F HN -0.288 nan 8.300 nan 0.000 0.474 242 H N 1.355 120.332 119.070 -0.155 0.000 2.970 242 H HA 0.218 4.774 4.556 -0.000 0.000 0.315 242 H C -1.130 173.961 175.328 -0.394 0.000 0.992 242 H CA -0.858 55.027 56.048 -0.272 0.000 1.363 242 H CB 0.811 30.601 29.762 0.047 0.000 1.532 242 H HN 0.688 nan 8.280 nan 0.000 0.514 243 Y N 1.740 121.681 120.300 -0.598 0.000 3.491 243 Y HA -0.306 4.244 4.550 -0.000 0.000 0.215 243 Y C 1.562 176.920 175.900 -0.903 0.000 1.219 243 Y CA 1.483 59.139 58.100 -0.740 0.000 1.485 243 Y CB -1.760 36.382 38.460 -0.530 0.000 1.450 243 Y HN 1.128 nan 8.280 nan 0.000 0.603 244 G N -2.090 105.862 108.800 -1.412 0.000 2.217 244 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.246 244 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.246 244 G C 0.355 175.169 174.900 -0.144 0.000 0.990 244 G CA -0.125 44.255 45.100 -1.200 0.000 0.627 244 G HN 1.571 nan 8.290 nan 0.000 0.522 245 A N 0.494 123.296 122.820 -0.029 0.000 2.347 245 A HA 0.633 4.953 4.320 -0.000 0.000 0.287 245 A C -0.004 177.799 177.584 0.366 0.000 1.199 245 A CA -0.336 51.811 52.037 0.183 0.000 0.851 245 A CB 0.071 19.068 19.000 -0.005 0.000 1.118 245 A HN 1.288 nan 8.150 nan 0.000 0.525 246 F N 3.025 123.072 119.950 0.162 0.000 2.538 246 F HA 0.307 4.834 4.527 -0.000 0.000 0.371 246 F C 0.776 176.420 175.800 -0.260 0.000 1.087 246 F CA 0.039 57.921 58.000 -0.197 0.000 1.250 246 F CB 0.573 39.512 39.000 -0.102 0.000 1.110 246 F HN 0.566 nan 8.300 nan 0.000 0.570 247 R N 6.022 125.693 120.500 -1.381 0.000 2.204 247 R HA 0.137 4.477 4.340 -0.000 0.000 0.341 247 R C 0.957 176.124 176.300 -1.888 0.000 1.035 247 R CA -0.302 54.936 56.100 -1.436 0.000 0.887 247 R CB 0.777 30.437 30.300 -1.066 0.000 1.114 247 R HN 0.759 nan 8.270 nan 0.000 0.473 248 Q N 1.387 120.271 119.800 -1.525 0.000 2.437 248 Q HA -0.079 4.261 4.340 -0.000 0.000 0.210 248 Q C 1.656 176.685 176.000 -1.618 0.000 0.972 248 Q CA 1.113 56.052 55.803 -1.441 0.000 0.903 248 Q CB 0.246 28.253 28.738 -1.220 0.000 0.967 248 Q HN 0.859 nan 8.270 nan 0.000 0.486 249 G N 0.786 108.467 108.800 -1.864 0.000 2.598 249 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 249 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 249 G C 1.419 175.660 174.900 -1.097 0.000 1.131 249 G CA 0.589 44.506 45.100 -1.972 0.000 0.785 249 G HN 0.382 nan 8.290 nan 0.000 0.539 250 A N 0.734 122.919 122.820 -1.059 0.000 1.972 250 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 250 A C 1.996 178.929 177.584 -1.085 0.000 1.169 250 A CA 1.020 52.518 52.037 -0.898 0.000 0.635 250 A CB -0.450 18.042 19.000 -0.847 0.000 0.810 250 A HN 0.247 nan 8.150 nan 0.000 0.446 251 F N 0.855 120.383 119.950 -0.703 0.000 2.095 251 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 251 F C 2.161 177.804 175.800 -0.261 0.000 1.104 251 F CA 1.213 58.953 58.000 -0.433 0.000 1.232 251 F CB -0.905 38.021 39.000 -0.123 0.000 0.987 251 F HN 0.240 nan 8.300 nan 0.000 0.475 252 D N -1.284 119.084 120.400 -0.053 0.000 2.117 252 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 252 D C 2.169 178.480 176.300 0.018 0.000 0.987 252 D CA 1.177 55.166 54.000 -0.018 0.000 0.829 252 D CB -0.658 40.103 40.800 -0.065 0.000 0.961 252 D HN 0.348 nan 8.370 nan 0.000 0.460 253 Y N 0.530 120.748 120.300 -0.136 0.000 2.181 253 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 253 Y C 2.235 178.272 175.900 0.227 0.000 1.146 253 Y CA 1.485 59.605 58.100 0.034 0.000 1.164 253 Y CB -0.442 38.051 38.460 0.055 0.000 0.982 253 Y HN -0.080 nan 8.280 nan 0.000 0.515 254 F N -1.322 118.722 119.950 0.157 0.000 2.069 254 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 254 F C 2.275 178.035 175.800 -0.065 0.000 1.113 254 F CA 1.021 59.062 58.000 0.068 0.000 1.214 254 F CB -0.621 38.424 39.000 0.075 0.000 0.978 254 F HN -0.119 nan 8.300 nan 0.000 0.474 255 V N -1.021 118.922 119.914 0.049 0.000 2.515 255 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 255 V C 2.328 178.453 176.094 0.052 0.000 1.058 255 V CA 1.939 64.218 62.300 -0.036 0.000 1.064 255 V CB -0.581 31.189 31.823 -0.089 0.000 0.675 255 V HN 0.337 nan 8.190 nan 0.000 0.461 256 S N -0.950 114.758 115.700 0.013 0.000 2.387 256 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 256 S C 1.937 176.509 174.600 -0.047 0.000 1.026 256 S CA 1.144 59.338 58.200 -0.009 0.000 0.972 256 S CB -0.069 63.124 63.200 -0.011 0.000 0.814 256 S HN 0.579 nan 8.310 nan 0.000 0.477 257 Q N -0.429 119.303 119.800 -0.114 0.000 2.396 257 Q HA 0.321 4.660 4.340 -0.000 0.000 0.209 257 Q C 1.079 177.049 176.000 -0.049 0.000 0.906 257 Q CA 0.470 56.178 55.803 -0.159 0.000 0.927 257 Q CB 0.221 28.741 28.738 -0.363 0.000 1.069 257 Q HN 0.571 nan 8.270 nan 0.000 0.523 258 M N -0.819 118.855 119.600 0.123 0.000 2.416 258 M HA 0.128 4.608 4.480 -0.000 0.000 0.337 258 M C 1.001 177.452 176.300 0.252 0.000 1.074 258 M CA 0.098 55.542 55.300 0.240 0.000 0.968 258 M CB 0.823 33.653 32.600 0.384 0.000 1.472 258 M HN -0.133 nan 8.290 nan 0.000 0.539 259 T N 1.066 115.747 114.554 0.213 0.000 2.896 259 T HA 0.216 4.566 4.350 -0.000 0.000 0.263 259 T C 0.713 175.411 174.700 -0.003 0.000 1.050 259 T CA 1.005 63.195 62.100 0.150 0.000 1.140 259 T CB 0.186 69.146 68.868 0.153 0.000 0.877 259 T HN 0.472 nan 8.240 nan 0.000 0.457 260 A N -0.192 122.596 122.820 -0.053 0.000 2.593 260 A HA 0.693 5.013 4.320 -0.000 0.000 0.290 260 A C 0.845 178.311 177.584 -0.197 0.000 1.126 260 A CA -0.664 51.306 52.037 -0.113 0.000 0.695 260 A CB 0.878 19.807 19.000 -0.119 0.000 1.290 260 A HN 0.067 nan 8.150 nan 0.000 0.414 261 R N -0.144 120.231 120.500 -0.208 0.000 2.081 261 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 261 R C 1.204 177.177 176.300 -0.545 0.000 1.131 261 R CA 2.233 58.167 56.100 -0.276 0.000 0.960 261 R CB -0.386 29.805 30.300 -0.182 0.000 0.856 261 R HN 0.861 nan 8.270 nan 0.000 0.436 262 G N -0.922 107.530 108.800 -0.580 0.000 2.975 262 G HA2 0.362 4.322 3.960 -0.000 0.000 0.159 262 G HA3 0.362 4.322 3.960 -0.000 0.000 0.159 262 G C -0.428 173.970 174.900 -0.838 0.000 1.525 262 G CA -0.219 44.258 45.100 -1.038 0.000 1.075 262 G HN 0.399 nan 8.290 nan 0.000 0.574 263 G N -0.967 107.611 108.800 -0.369 0.000 2.491 263 G HA2 0.479 4.439 3.960 -0.000 0.000 0.238 263 G HA3 0.479 4.439 3.960 -0.000 0.000 0.238 263 G C 0.342 175.197 174.900 -0.074 0.000 1.277 263 G CA 0.616 45.681 45.100 -0.059 0.000 0.851 263 G HN 0.800 nan 8.290 nan 0.000 0.573 264 G N 0.669 109.455 108.800 -0.023 0.000 3.135 264 G HA2 0.691 4.651 3.960 -0.000 0.000 0.159 264 G HA3 0.691 4.651 3.960 -0.000 0.000 0.159 264 G C -0.354 174.553 174.900 0.012 0.000 1.244 264 G CA -0.759 44.336 45.100 -0.009 0.000 0.965 264 G HN 0.880 nan 8.290 nan 0.000 0.599 265 N N -0.381 118.331 118.700 0.020 0.000 2.732 265 N HA 0.280 5.020 4.740 -0.000 0.000 0.259 265 N C -1.954 173.565 175.510 0.015 0.000 1.402 265 N CA -0.656 52.404 53.050 0.017 0.000 0.829 265 N CB 2.055 40.549 38.487 0.012 0.000 1.495 265 N HN 0.263 nan 8.380 nan 0.000 0.511 266 D N 0.353 120.760 120.400 0.011 0.000 2.432 266 D HA 0.461 5.101 4.640 -0.000 0.000 0.258 266 D C -0.038 176.264 176.300 0.002 0.000 1.146 266 D CA -0.288 53.719 54.000 0.012 0.000 1.015 266 D CB 1.381 42.191 40.800 0.015 0.000 1.107 266 D HN 0.359 nan 8.370 nan 0.000 0.529 267 I N 2.676 123.252 120.570 0.010 0.000 2.337 267 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 267 I C -1.812 174.293 176.117 -0.020 0.000 1.046 267 I CA -1.516 59.771 61.300 -0.020 0.000 1.324 267 I CB 0.789 38.785 38.000 -0.007 0.000 1.409 267 I HN 0.030 nan 8.210 nan 0.000 0.494 268 P HA 0.084 nan 4.420 nan 0.000 0.264 268 P C -0.714 176.552 177.300 -0.056 0.000 1.193 268 P CA -0.075 62.997 63.100 -0.046 0.000 0.763 268 P CB 0.555 32.220 31.700 -0.057 0.000 0.810 269 R N 2.458 122.941 120.500 -0.027 0.000 2.720 269 R HA 0.326 4.666 4.340 -0.000 0.000 0.272 269 R C 1.161 177.446 176.300 -0.026 0.000 0.991 269 R CA -0.855 55.235 56.100 -0.017 0.000 1.010 269 R CB 1.356 31.668 30.300 0.021 0.000 1.141 269 R HN 0.407 nan 8.270 nan 0.000 0.494 270 R N 0.272 120.757 120.500 -0.024 0.000 2.075 270 R HA 0.087 4.427 4.340 -0.000 0.000 0.220 270 R C 0.079 176.378 176.300 -0.001 0.000 1.118 270 R CA 1.330 57.418 56.100 -0.020 0.000 0.986 270 R CB 0.160 30.444 30.300 -0.026 0.000 0.884 270 R HN 0.605 nan 8.270 nan 0.000 0.439 271 D N -1.444 118.966 120.400 0.016 0.000 2.299 271 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 271 D C -0.059 176.253 176.300 0.019 0.000 0.982 271 D CA 0.151 54.167 54.000 0.025 0.000 0.924 271 D CB 2.202 43.032 40.800 0.050 0.000 1.238 271 D HN 0.238 nan 8.370 nan 0.000 0.484 272 A N 2.042 124.869 122.820 0.011 0.000 2.066 272 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 272 A C 0.752 178.327 177.584 -0.015 0.000 1.157 272 A CA 0.816 52.848 52.037 -0.008 0.000 0.670 272 A CB 0.074 19.067 19.000 -0.011 0.000 0.804 272 A HN 0.480 nan 8.150 nan 0.000 0.453 273 D N -0.521 119.893 120.400 0.024 0.000 2.329 273 D HA 0.295 4.935 4.640 -0.000 0.000 0.232 273 D C -0.192 176.169 176.300 0.101 0.000 1.088 273 D CA -0.472 53.559 54.000 0.052 0.000 0.835 273 D CB 0.912 41.769 40.800 0.094 0.000 1.078 273 D HN -0.009 nan 8.370 nan 0.000 0.495 274 D N 2.320 122.754 120.400 0.058 0.000 2.312 274 D HA -0.150 4.490 4.640 -0.000 0.000 0.211 274 D C 1.284 177.735 176.300 0.252 0.000 0.964 274 D CA 0.507 54.598 54.000 0.151 0.000 0.877 274 D CB -0.004 40.807 40.800 0.020 0.000 0.924 274 D HN 0.559 nan 8.370 nan 0.000 0.515 275 Y N 1.327 121.698 120.300 0.118 0.000 2.181 275 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 275 Y C 2.229 178.321 175.900 0.320 0.000 1.146 275 Y CA 1.615 59.850 58.100 0.225 0.000 1.164 275 Y CB -0.286 38.306 38.460 0.220 0.000 0.982 275 Y HN -0.132 nan 8.280 nan 0.000 0.515 276 T N 0.697 115.515 114.554 0.440 0.000 2.732 276 T HA -0.150 4.200 4.350 -0.000 0.000 0.261 276 T C 1.665 176.496 174.700 0.219 0.000 1.040 276 T CA 1.361 63.646 62.100 0.307 0.000 1.145 276 T CB -0.310 68.686 68.868 0.214 0.000 0.866 276 T HN 0.370 nan 8.240 nan 0.000 0.427 277 N N 0.907 119.722 118.700 0.190 0.000 2.061 277 N HA -0.066 4.674 4.740 -0.000 0.000 0.193 277 N C 1.622 177.200 175.510 0.114 0.000 1.030 277 N CA 1.350 54.475 53.050 0.125 0.000 0.856 277 N CB -0.552 37.991 38.487 0.094 0.000 1.023 277 N HN 0.358 nan 8.380 nan 0.000 0.424 278 F N 0.557 120.586 119.950 0.133 0.000 2.206 278 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 278 F C 2.180 178.150 175.800 0.284 0.000 1.090 278 F CA 0.175 58.257 58.000 0.136 0.000 1.323 278 F CB -0.380 38.529 39.000 -0.153 0.000 1.028 278 F HN -0.025 nan 8.300 nan 0.000 0.492 279 L N 0.513 122.005 121.223 0.449 0.000 2.093 279 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 279 L C 2.153 179.058 176.870 0.059 0.000 1.085 279 L CA 1.844 56.770 54.840 0.144 0.000 0.755 279 L CB -0.680 41.360 42.059 -0.032 0.000 0.904 279 L HN -0.043 nan 8.230 nan 0.000 0.435 280 K N -0.791 119.669 120.400 0.099 0.000 2.097 280 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 280 K C 1.981 178.615 176.600 0.056 0.000 1.050 280 K CA 1.164 57.485 56.287 0.056 0.000 0.938 280 K CB -0.235 32.300 32.500 0.058 0.000 0.718 280 K HN 0.442 nan 8.250 nan 0.000 0.442 281 A N 0.741 123.625 122.820 0.107 0.000 2.015 281 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 281 A C 1.445 179.106 177.584 0.129 0.000 1.163 281 A CA 1.840 53.946 52.037 0.116 0.000 0.646 281 A CB -0.420 18.704 19.000 0.207 0.000 0.806 281 A HN 0.466 nan 8.150 nan 0.000 0.448 282 G N -0.939 107.934 108.800 0.122 0.000 3.076 282 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.256 282 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.256 282 G C 0.696 175.714 174.900 0.197 0.000 1.589 282 G CA 0.776 45.910 45.100 0.057 0.000 1.044 282 G HN 1.754 nan 8.290 nan 0.000 0.563 283 S N 1.369 117.263 115.700 0.324 0.000 2.645 283 S HA 0.717 5.187 4.470 -0.000 0.000 0.266 283 S C 1.673 176.572 174.600 0.498 0.000 1.258 283 S CA 0.649 59.122 58.200 0.456 0.000 0.990 283 S CB 1.578 65.040 63.200 0.436 0.000 0.967 283 S HN 2.167 nan 8.310 nan 0.000 0.556 284 A N 1.507 124.692 122.820 0.607 0.000 1.930 284 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 284 A C 2.163 180.114 177.584 0.612 0.000 1.175 284 A CA 1.479 53.979 52.037 0.772 0.000 0.627 284 A CB -1.750 17.793 19.000 0.905 0.000 0.815 284 A HN 1.147 nan 8.150 nan 0.000 0.443 285 G N -0.908 108.246 108.800 0.590 0.000 2.432 285 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 285 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 285 G C 1.884 176.920 174.900 0.226 0.000 1.135 285 G CA 1.450 46.833 45.100 0.472 0.000 0.767 285 G HN 0.568 nan 8.290 nan 0.000 0.550 286 S N -0.507 115.333 115.700 0.233 0.000 2.383 286 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 286 S C 2.031 176.647 174.600 0.027 0.000 1.026 286 S CA 1.122 59.396 58.200 0.124 0.000 0.981 286 S CB -0.377 62.915 63.200 0.154 0.000 0.818 286 S HN 0.360 nan 8.310 nan 0.000 0.472 287 F N 2.233 122.134 119.950 -0.081 0.000 2.146 287 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 287 F C 2.335 177.840 175.800 -0.492 0.000 1.096 287 F CA 1.266 59.113 58.000 -0.256 0.000 1.275 287 F CB -0.746 38.134 39.000 -0.201 0.000 1.008 287 F HN 0.283 nan 8.300 nan 0.000 0.480 288 A N -0.464 122.026 122.820 -0.550 0.000 1.908 288 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 288 A C 2.177 179.448 177.584 -0.521 0.000 1.181 288 A CA 2.367 53.821 52.037 -0.972 0.000 0.627 288 A CB -1.450 16.686 19.000 -1.440 0.000 0.818 288 A HN 0.438 nan 8.150 nan 0.000 0.445 289 T N -0.130 114.260 114.554 -0.274 0.000 2.708 289 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 289 T C 2.065 176.639 174.700 -0.210 0.000 1.037 289 T CA 1.813 63.819 62.100 -0.158 0.000 1.146 289 T CB -0.271 68.556 68.868 -0.068 0.000 0.865 289 T HN 0.624 nan 8.240 nan 0.000 0.435 290 Q N 0.320 119.952 119.800 -0.280 0.000 2.170 290 Q HA 0.058 4.398 4.340 -0.000 0.000 0.203 290 Q C 2.453 178.229 176.000 -0.373 0.000 0.976 290 Q CA 1.202 56.821 55.803 -0.307 0.000 0.858 290 Q CB -0.187 28.338 28.738 -0.355 0.000 0.907 290 Q HN 0.534 nan 8.270 nan 0.000 0.433 291 A N -0.291 122.228 122.820 -0.501 0.000 2.119 291 A HA 0.225 4.545 4.320 -0.000 0.000 0.216 291 A C 1.492 178.918 177.584 -0.263 0.000 1.152 291 A CA 0.897 52.662 52.037 -0.454 0.000 0.708 291 A CB -0.228 18.424 19.000 -0.579 0.000 0.805 291 A HN 0.449 nan 8.150 nan 0.000 0.460 292 G N -1.455 107.221 108.800 -0.207 0.000 2.132 292 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.228 292 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.228 292 G C 0.570 175.486 174.900 0.027 0.000 1.000 292 G CA 0.344 45.404 45.100 -0.065 0.000 0.693 292 G HN 0.408 nan 8.290 nan 0.000 0.515 293 L N -0.064 121.081 121.223 -0.129 0.000 2.492 293 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 293 L C 2.083 179.110 176.870 0.261 0.000 1.132 293 L CA 0.692 55.469 54.840 -0.104 0.000 0.850 293 L CB -0.033 41.699 42.059 -0.546 0.000 0.966 293 L HN 0.082 nan 8.230 nan 0.000 0.454 294 D N 0.110 120.633 120.400 0.206 0.000 2.309 294 D HA -0.205 4.435 4.640 -0.000 0.000 0.212 294 D C 2.028 178.433 176.300 0.174 0.000 0.968 294 D CA 0.870 55.008 54.000 0.229 0.000 0.882 294 D CB 0.086 40.932 40.800 0.077 0.000 0.918 294 D HN 0.558 nan 8.370 nan 0.000 0.503 295 Q N -0.614 119.306 119.800 0.200 0.000 2.403 295 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 295 Q C -0.177 175.858 176.000 0.058 0.000 0.932 295 Q CA 0.065 55.920 55.803 0.087 0.000 0.945 295 Q CB -0.133 28.612 28.738 0.011 0.000 1.045 295 Q HN 0.266 nan 8.270 nan 0.000 0.511 296 Y N 1.723 122.072 120.300 0.082 0.000 2.383 296 Y HA 0.219 4.769 4.550 -0.000 0.000 0.344 296 Y C -1.565 174.383 175.900 0.080 0.000 0.986 296 Y CA -2.540 55.617 58.100 0.095 0.000 1.175 296 Y CB 1.340 39.882 38.460 0.137 0.000 1.152 296 Y HN 0.063 nan 8.280 nan 0.000 0.511 297 P HA -0.264 nan 4.420 nan 0.000 0.216 297 P C 1.550 178.891 177.300 0.069 0.000 1.153 297 P CA 1.422 64.559 63.100 0.062 0.000 0.858 297 P CB 0.052 31.778 31.700 0.044 0.000 0.789 298 F N -0.915 119.024 119.950 -0.017 0.000 2.186 298 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 298 F C 2.242 177.969 175.800 -0.121 0.000 1.090 298 F CA 1.140 59.080 58.000 -0.101 0.000 1.307 298 F CB -0.825 38.060 39.000 -0.192 0.000 1.019 298 F HN 0.002 nan 8.300 nan 0.000 0.489 299 W N 1.294 122.413 121.300 -0.302 0.000 2.388 299 W HA -0.203 4.457 4.660 -0.000 0.000 0.294 299 W C 1.910 178.288 176.519 -0.235 0.000 1.212 299 W CA 1.425 58.589 57.345 -0.302 0.000 1.271 299 W CB -0.379 29.039 29.460 -0.070 0.000 1.126 299 W HN 0.160 nan 8.180 nan 0.000 0.535 300 Q N 0.259 119.845 119.800 -0.357 0.000 2.135 300 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 300 Q C 2.365 178.082 176.000 -0.472 0.000 0.981 300 Q CA 1.839 57.377 55.803 -0.443 0.000 0.856 300 Q CB -0.272 28.333 28.738 -0.222 0.000 0.902 300 Q HN 0.312 nan 8.270 nan 0.000 0.425 301 R N 0.068 120.289 120.500 -0.465 0.000 2.073 301 R HA -0.050 4.289 4.340 -0.000 0.000 0.229 301 R C 2.304 178.233 176.300 -0.619 0.000 1.120 301 R CA 1.306 57.056 56.100 -0.582 0.000 0.967 301 R CB -0.329 29.601 30.300 -0.615 0.000 0.862 301 R HN 0.325 nan 8.270 nan 0.000 0.436 302 M N 0.365 119.616 119.600 -0.581 0.000 2.086 302 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 302 M C 2.435 178.626 176.300 -0.181 0.000 1.067 302 M CA 1.766 56.975 55.300 -0.151 0.000 1.116 302 M CB -0.372 32.192 32.600 -0.060 0.000 1.348 302 M HN 0.205 nan 8.290 nan 0.000 0.407 303 H N 0.149 118.667 119.070 -0.919 0.000 2.387 303 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 303 H C 1.600 176.696 175.328 -0.387 0.000 1.099 303 H CA 1.879 57.327 56.048 -1.000 0.000 1.315 303 H CB 0.022 28.859 29.762 -1.542 0.000 1.380 303 H HN 0.550 nan 8.280 nan 0.000 0.513 304 A N 0.427 122.986 122.820 -0.435 0.000 2.119 304 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 304 A C 0.449 177.662 177.584 -0.618 0.000 1.152 304 A CA 0.442 52.168 52.037 -0.518 0.000 0.708 304 A CB -0.109 18.534 19.000 -0.596 0.000 0.805 304 A HN 0.497 nan 8.150 nan 0.000 0.460 305 H N -0.645 118.367 119.070 -0.095 0.000 2.336 305 H HA 0.191 4.747 4.556 -0.000 0.000 0.230 305 H C -2.102 173.502 175.328 0.461 0.000 1.426 305 H CA -1.440 54.675 56.048 0.110 0.000 1.359 305 H CB 0.630 30.364 29.762 -0.045 0.000 1.555 305 H HN 0.350 nan 8.280 nan 0.000 0.512 306 P HA -0.016 nan 4.420 nan 0.000 0.222 306 P C 0.778 178.337 177.300 0.432 0.000 1.153 306 P CA 0.530 63.890 63.100 0.434 0.000 0.798 306 P CB 0.696 32.537 31.700 0.234 0.000 0.796 307 A N -0.591 122.463 122.820 0.390 0.000 2.256 307 A HA 0.299 4.619 4.320 -0.000 0.000 0.318 307 A C -0.564 176.879 177.584 -0.235 0.000 1.103 307 A CA -0.543 51.642 52.037 0.248 0.000 0.860 307 A CB -0.180 19.023 19.000 0.339 0.000 1.182 307 A HN 0.004 nan 8.150 nan 0.000 0.501 308 Y N 2.116 121.752 120.300 -1.107 0.000 2.889 308 Y HA 0.162 4.712 4.550 -0.000 0.000 0.367 308 Y C 0.281 175.924 175.900 -0.429 0.000 1.197 308 Y CA -1.016 56.285 58.100 -1.332 0.000 1.993 308 Y CB -1.104 36.310 38.460 -1.744 0.000 2.112 308 Y HN 0.774 nan 8.280 nan 0.000 0.413 309 D N -0.271 119.995 120.400 -0.224 0.000 2.453 309 D HA 0.231 4.871 4.640 -0.000 0.000 0.282 309 D C 1.587 177.730 176.300 -0.261 0.000 1.222 309 D CA 0.120 54.027 54.000 -0.154 0.000 1.079 309 D CB -0.046 40.765 40.800 0.018 0.000 1.128 309 D HN 0.167 nan 8.370 nan 0.000 0.568 310 A N -1.009 121.703 122.820 -0.180 0.000 1.978 310 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 310 A C 1.980 179.409 177.584 -0.259 0.000 1.170 310 A CA 1.364 53.282 52.037 -0.197 0.000 0.636 310 A CB -1.247 17.681 19.000 -0.120 0.000 0.810 310 A HN 0.532 nan 8.150 nan 0.000 0.448 311 F N -1.074 118.554 119.950 -0.537 0.000 2.134 311 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 311 F C 1.817 177.236 175.800 -0.636 0.000 1.097 311 F CA 1.676 59.227 58.000 -0.748 0.000 1.264 311 F CB -0.337 37.820 39.000 -1.404 0.000 1.001 311 F HN 0.410 nan 8.300 nan 0.000 0.479 312 W N 0.001 121.085 121.300 -0.361 0.000 2.576 312 W HA 0.066 4.726 4.660 -0.000 0.000 0.275 312 W C 2.464 178.703 176.519 -0.467 0.000 1.241 312 W CA 0.339 57.470 57.345 -0.356 0.000 1.328 312 W CB -0.544 28.774 29.460 -0.237 0.000 1.092 312 W HN -0.068 nan 8.180 nan 0.000 0.586 313 Q N -0.069 119.436 119.800 -0.491 0.000 2.124 313 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 313 Q C 2.313 178.198 176.000 -0.192 0.000 0.977 313 Q CA 1.423 56.947 55.803 -0.465 0.000 0.850 313 Q CB -0.611 27.849 28.738 -0.465 0.000 0.901 313 Q HN 0.358 nan 8.270 nan 0.000 0.429 314 G N -0.175 108.502 108.800 -0.204 0.000 2.848 314 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.208 314 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.208 314 G C 0.829 175.670 174.900 -0.099 0.000 1.152 314 G CA 0.039 45.055 45.100 -0.141 0.000 0.789 314 G HN 0.273 nan 8.290 nan 0.000 0.531 315 Q N -0.595 119.164 119.800 -0.068 0.000 2.171 315 Q HA 0.332 4.672 4.340 -0.000 0.000 0.218 315 Q C 0.749 176.846 176.000 0.162 0.000 0.822 315 Q CA -0.355 55.475 55.803 0.044 0.000 0.987 315 Q CB 1.316 30.066 28.738 0.019 0.000 1.144 315 Q HN 0.302 nan 8.270 nan 0.000 0.494 316 A N 1.469 124.374 122.820 0.142 0.000 2.666 316 A HA 0.181 4.501 4.320 -0.000 0.000 0.301 316 A C 0.989 178.681 177.584 0.179 0.000 1.470 316 A CA -0.064 52.090 52.037 0.196 0.000 1.159 316 A CB -0.322 18.806 19.000 0.214 0.000 1.116 316 A HN 0.386 nan 8.150 nan 0.000 0.548 317 L N 1.165 122.513 121.223 0.208 0.000 2.191 317 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 317 L C 2.156 179.131 176.870 0.175 0.000 1.103 317 L CA 1.333 56.291 54.840 0.195 0.000 0.769 317 L CB -0.513 41.688 42.059 0.237 0.000 0.908 317 L HN 0.793 nan 8.230 nan 0.000 0.438 318 D N 0.606 121.113 120.400 0.179 0.000 2.144 318 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 318 D C 1.765 178.129 176.300 0.108 0.000 0.984 318 D CA 1.324 55.399 54.000 0.125 0.000 0.834 318 D CB -0.242 40.654 40.800 0.160 0.000 0.955 318 D HN 0.323 nan 8.370 nan 0.000 0.465 319 K N 0.075 120.554 120.400 0.131 0.000 2.116 319 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 319 K C 2.544 179.198 176.600 0.089 0.000 1.052 319 K CA 0.474 56.825 56.287 0.107 0.000 0.952 319 K CB 0.118 32.690 32.500 0.120 0.000 0.729 319 K HN 0.186 nan 8.250 nan 0.000 0.446 320 I N 1.142 121.770 120.570 0.097 0.000 2.202 320 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 320 I C 2.317 178.488 176.117 0.090 0.000 1.091 320 I CA 0.697 62.049 61.300 0.085 0.000 1.368 320 I CB -0.168 37.885 38.000 0.087 0.000 1.058 320 I HN 0.061 nan 8.210 nan 0.000 0.410 321 L N 1.193 122.482 121.223 0.111 0.000 2.083 321 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 321 L C 2.495 179.427 176.870 0.102 0.000 1.083 321 L CA 1.996 56.911 54.840 0.125 0.000 0.752 321 L CB -0.792 41.377 42.059 0.183 0.000 0.899 321 L HN 0.191 nan 8.230 nan 0.000 0.433 322 A N -1.345 121.521 122.820 0.078 0.000 2.019 322 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 322 A C 2.161 179.774 177.584 0.048 0.000 1.164 322 A CA 1.646 53.713 52.037 0.051 0.000 0.644 322 A CB -0.451 18.566 19.000 0.028 0.000 0.805 322 A HN 0.668 nan 8.150 nan 0.000 0.449 323 Q N -1.123 118.709 119.800 0.054 0.000 2.331 323 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 323 Q C 1.875 177.904 176.000 0.049 0.000 0.944 323 Q CA 0.429 56.260 55.803 0.047 0.000 0.892 323 Q CB 0.058 28.824 28.738 0.047 0.000 0.983 323 Q HN 0.405 nan 8.270 nan 0.000 0.482 324 R N 1.019 121.555 120.500 0.060 0.000 2.193 324 R HA 0.031 4.371 4.340 -0.000 0.000 0.213 324 R C 0.019 176.353 176.300 0.058 0.000 1.055 324 R CA 0.382 56.519 56.100 0.061 0.000 0.995 324 R CB -0.149 30.195 30.300 0.073 0.000 0.893 324 R HN 0.130 nan 8.270 nan 0.000 0.459 325 K N 1.135 121.570 120.400 0.059 0.000 3.974 325 K HA -0.116 4.204 4.320 -0.000 0.000 0.280 325 K C -2.331 174.306 176.600 0.061 0.000 0.949 325 K CA 0.161 56.480 56.287 0.054 0.000 0.817 325 K CB -1.040 31.484 32.500 0.041 0.000 1.535 325 K HN 0.262 nan 8.250 nan 0.000 0.444 326 P HA 0.044 nan 4.420 nan 0.000 0.274 326 P C 0.429 177.767 177.300 0.063 0.000 1.237 326 P CA -0.092 63.054 63.100 0.076 0.000 0.793 326 P CB 1.011 32.774 31.700 0.106 0.000 0.977 327 T N -3.510 111.069 114.554 0.041 0.000 3.091 327 T HA 0.187 4.537 4.350 -0.000 0.000 0.277 327 T C 0.463 175.155 174.700 -0.013 0.000 0.996 327 T CA -0.206 61.908 62.100 0.023 0.000 0.897 327 T CB -0.310 68.568 68.868 0.016 0.000 1.109 327 T HN 0.090 nan 8.240 nan 0.000 0.534 328 V N 3.922 123.825 119.914 -0.019 0.000 2.488 328 V HA 0.323 4.443 4.120 -0.000 0.000 0.277 328 V C -2.294 173.751 176.094 -0.081 0.000 1.046 328 V CA -2.067 60.180 62.300 -0.089 0.000 0.986 328 V CB 0.838 32.614 31.823 -0.079 0.000 0.989 328 V HN 0.210 nan 8.190 nan 0.000 0.475 329 P HA 0.116 nan 4.420 nan 0.000 0.261 329 P C -0.509 176.853 177.300 0.103 0.000 1.183 329 P CA 0.606 63.654 63.100 -0.088 0.000 0.761 329 P CB 0.265 31.608 31.700 -0.595 0.000 0.785 330 M N 3.070 122.819 119.600 0.249 0.000 2.465 330 M HA 0.430 4.910 4.480 -0.000 0.000 0.316 330 M C -0.468 175.894 176.300 0.103 0.000 1.121 330 M CA -0.538 54.832 55.300 0.117 0.000 0.934 330 M CB 2.230 34.833 32.600 0.006 0.000 1.692 330 M HN 0.131 nan 8.290 nan 0.000 0.444 331 L N 2.637 123.831 121.223 -0.049 0.000 2.401 331 L HA 0.439 4.779 4.340 -0.000 0.000 0.263 331 L C -1.759 174.998 176.870 -0.188 0.000 1.004 331 L CA -0.303 54.463 54.840 -0.123 0.000 0.881 331 L CB 0.823 42.830 42.059 -0.088 0.000 1.219 331 L HN 0.757 nan 8.230 nan 0.000 0.441 332 W N 3.783 125.078 121.300 -0.009 0.000 2.315 332 W HA 0.420 5.080 4.660 -0.000 0.000 0.316 332 W C 0.505 176.944 176.519 -0.134 0.000 1.211 332 W CA -0.033 57.301 57.345 -0.018 0.000 1.201 332 W CB 0.940 30.434 29.460 0.057 0.000 1.184 332 W HN 0.317 nan 8.180 nan 0.000 0.544 333 E N 3.107 123.379 120.200 0.119 0.000 2.356 333 E HA 0.337 4.687 4.350 -0.000 0.000 0.275 333 E C -1.331 175.309 176.600 0.067 0.000 0.904 333 E CA -0.702 55.691 56.400 -0.012 0.000 0.757 333 E CB 2.271 31.884 29.700 -0.144 0.000 1.232 333 E HN 0.679 nan 8.360 nan 0.000 0.442 334 Q N 1.218 121.048 119.800 0.051 0.000 2.578 334 Q HA 0.627 4.967 4.340 -0.000 0.000 0.284 334 Q C -0.809 175.250 176.000 0.099 0.000 0.960 334 Q CA -1.108 54.755 55.803 0.099 0.000 0.809 334 Q CB 0.866 29.657 28.738 0.090 0.000 1.462 334 Q HN 0.471 nan 8.270 nan 0.000 0.392 335 G N 0.991 109.889 108.800 0.162 0.000 2.476 335 G HA2 0.374 4.334 3.960 -0.000 0.000 0.269 335 G HA3 0.374 4.334 3.960 -0.000 0.000 0.269 335 G C 0.300 175.147 174.900 -0.089 0.000 1.195 335 G CA -0.832 44.341 45.100 0.122 0.000 0.843 335 G HN 0.649 nan 8.290 nan 0.000 0.545 336 L N 0.346 121.382 121.223 -0.312 0.000 2.275 336 L HA 0.019 4.359 4.340 -0.000 0.000 0.215 336 L C 1.078 177.635 176.870 -0.521 0.000 1.119 336 L CA 0.706 55.231 54.840 -0.525 0.000 0.790 336 L CB 0.038 41.569 42.059 -0.880 0.000 0.919 336 L HN 0.550 nan 8.230 nan 0.000 0.443 337 W N -0.050 121.182 121.300 -0.113 0.000 2.159 337 W HA 0.198 4.858 4.660 -0.000 0.000 0.375 337 W C 0.023 176.486 176.519 -0.094 0.000 0.794 337 W CA -0.955 56.316 57.345 -0.123 0.000 2.716 337 W CB 0.023 29.399 29.460 -0.140 0.000 1.583 337 W HN -0.063 nan 8.180 nan 0.000 0.702 338 D N 2.512 122.983 120.400 0.119 0.000 2.346 338 D HA -0.054 4.586 4.640 -0.000 0.000 0.267 338 D C 1.553 177.909 176.300 0.093 0.000 1.320 338 D CA 0.584 54.676 54.000 0.154 0.000 0.951 338 D CB 1.003 41.915 40.800 0.186 0.000 1.079 338 D HN 0.165 nan 8.370 nan 0.000 0.509 339 Q N 2.662 122.464 119.800 0.003 0.000 2.415 339 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 339 Q C 0.155 176.167 176.000 0.020 0.000 0.946 339 Q CA 0.781 56.510 55.803 -0.124 0.000 0.951 339 Q CB 0.301 28.744 28.738 -0.493 0.000 1.026 339 Q HN 0.592 nan 8.270 nan 0.000 0.510 340 E N -0.061 120.152 120.200 0.022 0.000 2.441 340 E HA 0.124 4.474 4.350 -0.000 0.000 0.207 340 E C -0.331 176.245 176.600 -0.040 0.000 0.803 340 E CA 0.070 56.413 56.400 -0.096 0.000 1.240 340 E CB 0.759 30.110 29.700 -0.582 0.000 1.233 340 E HN 0.250 nan 8.360 nan 0.000 0.590 341 D N 0.828 121.283 120.400 0.091 0.000 2.613 341 D HA 0.119 4.759 4.640 -0.000 0.000 0.312 341 D C 0.251 176.674 176.300 0.206 0.000 1.202 341 D CA -0.009 54.085 54.000 0.157 0.000 0.825 341 D CB 1.214 42.141 40.800 0.211 0.000 1.113 341 D HN 0.023 nan 8.370 nan 0.000 0.502 342 M N 0.195 119.915 119.600 0.200 0.000 2.349 342 M HA 0.036 4.516 4.480 -0.000 0.000 0.266 342 M C 1.544 177.965 176.300 0.200 0.000 1.076 342 M CA 1.111 56.520 55.300 0.181 0.000 1.126 342 M CB 0.150 32.868 32.600 0.197 0.000 1.392 342 M HN 0.391 nan 8.290 nan 0.000 0.440 343 W N 0.232 121.532 121.300 0.000 0.000 2.480 343 W HA 0.077 4.737 4.660 -0.000 0.000 0.299 343 W C 1.719 178.328 176.519 0.151 0.000 1.187 343 W CA 1.536 58.895 57.345 0.023 0.000 1.347 343 W CB -0.925 28.390 29.460 -0.242 0.000 1.121 343 W HN 0.303 nan 8.180 nan 0.000 0.533 344 G N 1.543 110.556 108.800 0.353 0.000 2.863 344 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.217 344 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.217 344 G C 1.662 176.676 174.900 0.190 0.000 1.315 344 G CA 2.745 48.021 45.100 0.293 0.000 0.796 344 G HN 0.384 nan 8.290 nan 0.000 0.669 345 A N 0.326 123.271 122.820 0.209 0.000 1.873 345 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 345 A C 2.523 180.102 177.584 -0.008 0.000 1.193 345 A CA 2.124 54.277 52.037 0.194 0.000 0.629 345 A CB -0.610 18.545 19.000 0.258 0.000 0.826 345 A HN 0.673 nan 8.150 nan 0.000 0.447 346 I N -1.581 118.979 120.570 -0.017 0.000 2.286 346 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 346 I C 2.254 178.293 176.117 -0.131 0.000 1.115 346 I CA 2.073 63.335 61.300 -0.063 0.000 1.392 346 I CB -0.130 37.790 38.000 -0.133 0.000 1.065 346 I HN 0.499 nan 8.210 nan 0.000 0.418 347 H N 0.029 118.966 119.070 -0.222 0.000 2.436 347 H HA 0.110 4.666 4.556 -0.000 0.000 0.294 347 H C 2.191 177.399 175.328 -0.199 0.000 1.048 347 H CA 1.230 57.118 56.048 -0.267 0.000 1.353 347 H CB -0.138 29.331 29.762 -0.487 0.000 1.414 347 H HN 0.434 nan 8.280 nan 0.000 0.536 348 A N 0.213 122.918 122.820 -0.192 0.000 1.897 348 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 348 A C 2.089 179.294 177.584 -0.633 0.000 1.181 348 A CA 1.259 53.025 52.037 -0.452 0.000 0.620 348 A CB -1.047 17.460 19.000 -0.821 0.000 0.821 348 A HN 0.677 nan 8.150 nan 0.000 0.443 349 W N 0.720 121.459 121.300 -0.935 0.000 2.358 349 W HA -0.206 4.454 4.660 -0.000 0.000 0.303 349 W C 2.156 178.501 176.519 -0.290 0.000 1.208 349 W CA 2.082 59.008 57.345 -0.698 0.000 1.274 349 W CB -0.205 28.967 29.460 -0.481 0.000 1.138 349 W HN 0.389 nan 8.180 nan 0.000 0.515 350 Q N 0.979 120.611 119.800 -0.280 0.000 2.079 350 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 350 Q C 2.262 178.047 176.000 -0.359 0.000 0.974 350 Q CA 2.689 58.219 55.803 -0.455 0.000 0.840 350 Q CB -0.903 27.717 28.738 -0.196 0.000 0.898 350 Q HN 0.285 nan 8.270 nan 0.000 0.430 351 A N -0.021 122.664 122.820 -0.224 0.000 1.933 351 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 351 A C 2.071 179.567 177.584 -0.147 0.000 1.175 351 A CA 1.351 53.309 52.037 -0.132 0.000 0.628 351 A CB -0.668 18.302 19.000 -0.050 0.000 0.814 351 A HN 0.454 nan 8.150 nan 0.000 0.444 352 L N -1.066 120.037 121.223 -0.199 0.000 2.156 352 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 352 L C 2.567 179.323 176.870 -0.189 0.000 1.095 352 L CA 1.583 56.343 54.840 -0.135 0.000 0.770 352 L CB -0.293 41.729 42.059 -0.061 0.000 0.914 352 L HN 0.396 nan 8.230 nan 0.000 0.439 353 K N 0.036 120.215 120.400 -0.369 0.000 2.057 353 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 353 K C 1.541 178.004 176.600 -0.228 0.000 1.050 353 K CA 1.503 57.564 56.287 -0.376 0.000 0.935 353 K CB 0.099 32.184 32.500 -0.692 0.000 0.715 353 K HN 0.208 nan 8.250 nan 0.000 0.439 354 D N 0.039 120.314 120.400 -0.209 0.000 2.219 354 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 354 D C 1.218 177.472 176.300 -0.077 0.000 0.970 354 D CA 0.949 54.874 54.000 -0.126 0.000 0.851 354 D CB 0.075 40.812 40.800 -0.105 0.000 0.943 354 D HN 0.286 nan 8.370 nan 0.000 0.488 355 A N 0.313 123.090 122.820 -0.072 0.000 2.278 355 A HA 0.044 4.364 4.320 -0.000 0.000 0.212 355 A C 0.290 177.859 177.584 -0.025 0.000 1.213 355 A CA 0.166 52.183 52.037 -0.034 0.000 0.840 355 A CB -0.051 18.939 19.000 -0.017 0.000 0.866 355 A HN 0.016 nan 8.150 nan 0.000 0.489 356 D N -1.072 119.304 120.400 -0.041 0.000 2.697 356 D HA -0.144 4.496 4.640 -0.000 0.000 0.238 356 D C -0.059 176.241 176.300 -0.001 0.000 1.152 356 D CA 0.881 54.868 54.000 -0.022 0.000 0.666 356 D CB -1.700 39.095 40.800 -0.009 0.000 1.037 356 D HN 0.399 nan 8.370 nan 0.000 0.423 357 V N 1.058 120.970 119.914 -0.002 0.000 2.617 357 V HA -0.024 4.096 4.120 -0.000 0.000 0.304 357 V C 0.955 177.077 176.094 0.047 0.000 1.040 357 V CA 0.491 62.809 62.300 0.031 0.000 1.149 357 V CB 0.745 32.598 31.823 0.049 0.000 0.914 357 V HN 0.248 nan 8.190 nan 0.000 0.487 358 K N 5.625 126.056 120.400 0.052 0.000 2.758 358 K HA 0.665 4.985 4.320 -0.000 0.000 0.250 358 K C -0.241 176.399 176.600 0.067 0.000 1.268 358 K CA 0.708 57.029 56.287 0.056 0.000 1.228 358 K CB 0.498 33.025 32.500 0.045 0.000 1.715 358 K HN 0.892 nan 8.250 nan 0.000 0.334 359 A N 0.723 123.597 122.820 0.089 0.000 2.599 359 A HA 0.486 4.806 4.320 -0.000 0.000 0.294 359 A C -2.920 174.757 177.584 0.156 0.000 1.055 359 A CA -1.490 50.608 52.037 0.101 0.000 0.683 359 A CB 0.629 19.675 19.000 0.077 0.000 1.278 359 A HN 0.103 nan 8.150 nan 0.000 0.412 360 P HA 0.214 nan 4.420 nan 0.000 0.262 360 P C -0.731 176.747 177.300 0.296 0.000 1.182 360 P CA 0.702 63.973 63.100 0.284 0.000 0.761 360 P CB 0.233 32.192 31.700 0.433 0.000 0.795 361 N N 1.681 120.567 118.700 0.311 0.000 2.675 361 N HA 0.208 4.948 4.740 -0.000 0.000 0.254 361 N C -1.515 174.342 175.510 0.578 0.000 1.224 361 N CA -0.266 53.044 53.050 0.434 0.000 0.777 361 N CB 0.618 39.300 38.487 0.326 0.000 1.256 361 N HN 0.055 nan 8.380 nan 0.000 0.531 362 T N 2.138 116.937 114.554 0.408 0.000 2.823 362 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 362 T C -0.777 173.909 174.700 -0.023 0.000 0.998 362 T CA -0.423 61.799 62.100 0.203 0.000 0.994 362 T CB 1.186 70.032 68.868 -0.037 0.000 0.960 362 T HN 0.330 nan 8.240 nan 0.000 0.448 363 L N 4.483 125.396 121.223 -0.516 0.000 2.295 363 L HA 0.751 5.091 4.340 -0.000 0.000 0.285 363 L C -1.130 175.423 176.870 -0.529 0.000 1.035 363 L CA -0.387 54.015 54.840 -0.731 0.000 0.806 363 L CB 1.170 42.266 42.059 -1.605 0.000 1.214 363 L HN 0.419 nan 8.230 nan 0.000 0.426 364 V N 6.599 126.284 119.914 -0.382 0.000 2.487 364 V HA 0.552 4.671 4.120 -0.000 0.000 0.298 364 V C -0.222 175.670 176.094 -0.336 0.000 1.028 364 V CA -0.419 61.652 62.300 -0.382 0.000 0.860 364 V CB 1.675 33.231 31.823 -0.446 0.000 0.991 364 V HN 0.792 nan 8.190 nan 0.000 0.427 365 M N 4.157 123.541 119.600 -0.361 0.000 2.151 365 M HA 0.583 5.063 4.480 -0.000 0.000 0.290 365 M C 0.208 176.137 176.300 -0.618 0.000 0.965 365 M CA -0.202 54.850 55.300 -0.413 0.000 0.930 365 M CB 2.092 34.433 32.600 -0.432 0.000 1.560 365 M HN 0.756 nan 8.290 nan 0.000 0.438 366 G N 2.242 110.320 108.800 -1.204 0.000 2.601 366 G HA2 0.734 4.694 3.960 -0.000 0.000 0.317 366 G HA3 0.734 4.694 3.960 -0.000 0.000 0.317 366 G C -2.761 171.106 174.900 -1.721 0.000 1.246 366 G CA -1.356 42.504 45.100 -2.066 0.000 1.012 366 G HN 0.411 nan 8.290 nan 0.000 0.494 367 P HA 0.174 nan 4.420 nan 0.000 0.220 367 P C -0.984 175.945 177.300 -0.618 0.000 1.806 367 P CA -0.082 62.313 63.100 -1.174 0.000 0.976 367 P CB -0.144 30.321 31.700 -2.058 0.000 1.952 368 W N 1.925 123.170 121.300 -0.092 0.000 2.820 368 W HA 0.427 5.087 4.660 -0.000 0.000 0.350 368 W C 0.695 177.280 176.519 0.110 0.000 1.116 368 W CA -0.830 56.528 57.345 0.020 0.000 1.146 368 W CB 0.813 30.261 29.460 -0.019 0.000 1.433 368 W HN 0.049 nan 8.180 nan 0.000 0.561 369 R N -0.256 120.449 120.500 0.343 0.000 2.517 369 R HA 0.364 4.704 4.340 -0.000 0.000 0.250 369 R C -0.056 176.385 176.300 0.234 0.000 1.213 369 R CA -0.749 55.483 56.100 0.220 0.000 1.146 369 R CB -0.235 30.131 30.300 0.111 0.000 1.279 369 R HN 0.373 nan 8.270 nan 0.000 0.597 370 H N 0.054 119.188 119.070 0.106 0.000 3.125 370 H HA 0.006 4.562 4.556 -0.000 0.000 0.310 370 H C -0.258 175.165 175.328 0.159 0.000 0.980 370 H CA 1.567 57.694 56.048 0.132 0.000 1.422 370 H CB 0.102 29.938 29.762 0.124 0.000 1.432 370 H HN 0.713 nan 8.280 nan 0.000 0.577 371 S N 1.798 117.288 115.700 -0.350 0.000 3.270 371 S HA -0.248 4.222 4.470 -0.000 0.000 0.293 371 S C 1.854 176.482 174.600 0.046 0.000 1.278 371 S CA 0.910 58.993 58.200 -0.196 0.000 1.038 371 S CB -1.694 61.387 63.200 -0.198 0.000 1.218 371 S HN 1.031 nan 8.310 nan 0.000 0.659 372 G N 0.438 109.272 108.800 0.056 0.000 2.470 372 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 372 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 372 G C 1.208 175.888 174.900 -0.366 0.000 1.121 372 G CA 0.937 46.063 45.100 0.042 0.000 0.766 372 G HN 0.679 nan 8.290 nan 0.000 0.553 373 V N 0.987 120.530 119.914 -0.618 0.000 2.720 373 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 373 V C 1.642 177.445 176.094 -0.485 0.000 1.082 373 V CA 1.704 63.402 62.300 -1.003 0.000 1.101 373 V CB -0.286 31.081 31.823 -0.761 0.000 0.693 373 V HN 0.344 nan 8.190 nan 0.000 0.479 374 N N -1.367 117.122 118.700 -0.352 0.000 2.268 374 N HA 0.155 4.895 4.740 -0.000 0.000 0.204 374 N C -0.252 174.792 175.510 -0.776 0.000 1.124 374 N CA 0.232 52.992 53.050 -0.483 0.000 0.838 374 N CB 0.402 38.574 38.487 -0.525 0.000 0.994 374 N HN 0.605 nan 8.380 nan 0.000 0.489 375 Y N -0.556 119.673 120.300 -0.119 0.000 3.345 375 Y HA 0.303 4.853 4.550 -0.000 0.000 0.279 375 Y C 0.500 176.371 175.900 -0.050 0.000 1.980 375 Y CA -1.088 56.975 58.100 -0.061 0.000 0.912 375 Y CB 0.148 38.584 38.460 -0.041 0.000 1.460 375 Y HN -0.233 nan 8.280 nan 0.000 0.605 376 N N 0.513 119.327 118.700 0.189 0.000 2.426 376 N HA 0.238 4.978 4.740 -0.000 0.000 0.275 376 N C -0.192 175.414 175.510 0.159 0.000 1.019 376 N CA 0.100 53.230 53.050 0.133 0.000 0.941 376 N CB 1.540 40.093 38.487 0.110 0.000 1.123 376 N HN 0.859 nan 8.380 nan 0.000 0.486 377 G N 1.654 110.577 108.800 0.205 0.000 3.820 377 G HA2 0.052 4.012 3.960 -0.000 0.000 0.293 377 G HA3 0.052 4.012 3.960 -0.000 0.000 0.293 377 G C 0.718 175.841 174.900 0.372 0.000 1.152 377 G CA -0.268 45.047 45.100 0.359 0.000 0.921 377 G HN 0.541 nan 8.290 nan 0.000 0.544 378 S N -0.026 115.837 115.700 0.272 0.000 2.436 378 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 378 S C 1.453 176.171 174.600 0.196 0.000 1.014 378 S CA 1.066 59.403 58.200 0.227 0.000 0.950 378 S CB 0.167 63.442 63.200 0.125 0.000 0.784 378 S HN 0.698 nan 8.310 nan 0.000 0.504 379 T N -0.916 113.743 114.554 0.175 0.000 2.812 379 T HA 0.726 5.076 4.350 -0.000 0.000 0.294 379 T C -1.599 173.171 174.700 0.116 0.000 1.159 379 T CA -0.829 61.247 62.100 -0.040 0.000 1.008 379 T CB 1.877 70.685 68.868 -0.100 0.000 1.289 379 T HN -0.029 nan 8.240 nan 0.000 0.514 380 L N 0.908 122.091 121.223 -0.067 0.000 2.753 380 L HA 0.604 4.944 4.340 -0.000 0.000 0.259 380 L C 0.528 177.286 176.870 -0.187 0.000 0.958 380 L CA 1.471 56.300 54.840 -0.018 0.000 0.955 380 L CB 0.831 42.972 42.059 0.137 0.000 1.317 380 L HN 1.612 nan 8.230 nan 0.000 0.436 381 G N 5.596 114.312 108.800 -0.140 0.000 2.583 381 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 381 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 381 G C -1.723 173.073 174.900 -0.173 0.000 1.203 381 G CA 0.217 45.230 45.100 -0.145 0.000 0.987 381 G HN 0.616 nan 8.290 nan 0.000 0.554 382 P HA 0.268 nan 4.420 nan 0.000 0.255 382 P C 0.769 177.865 177.300 -0.340 0.000 1.248 382 P CA 0.225 63.182 63.100 -0.238 0.000 0.807 382 P CB 0.025 31.578 31.700 -0.245 0.000 1.150 383 L N 0.509 121.475 121.223 -0.429 0.000 2.397 383 L HA 0.267 4.607 4.340 -0.000 0.000 0.271 383 L C 0.538 176.958 176.870 -0.750 0.000 1.148 383 L CA -0.053 54.433 54.840 -0.590 0.000 0.825 383 L CB 0.406 42.059 42.059 -0.677 0.000 1.117 383 L HN -0.130 nan 8.230 nan 0.000 0.456 384 E N 2.179 121.953 120.200 -0.709 0.000 2.191 384 E HA 0.467 4.817 4.350 -0.000 0.000 0.263 384 E C -1.307 174.962 176.600 -0.551 0.000 0.881 384 E CA -0.494 55.564 56.400 -0.569 0.000 0.757 384 E CB 1.726 31.269 29.700 -0.262 0.000 1.147 384 E HN 0.210 nan 8.360 nan 0.000 0.414 385 F N 0.638 120.579 119.950 -0.015 0.000 2.461 385 F HA 0.281 4.808 4.527 -0.000 0.000 0.332 385 F C 1.053 176.883 175.800 0.050 0.000 1.073 385 F CA -1.050 56.952 58.000 0.004 0.000 1.017 385 F CB 0.683 39.576 39.000 -0.177 0.000 1.301 385 F HN 0.212 nan 8.300 nan 0.000 0.492 386 E N 1.792 122.194 120.200 0.335 0.000 1.802 386 E HA 0.381 4.731 4.350 -0.000 0.000 0.265 386 E C 0.557 177.291 176.600 0.224 0.000 1.168 386 E CA 0.197 56.738 56.400 0.234 0.000 1.033 386 E CB -0.177 29.656 29.700 0.222 0.000 1.095 386 E HN 0.786 nan 8.360 nan 0.000 0.436 387 G N 3.117 112.027 108.800 0.184 0.000 2.760 387 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 387 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 387 G C -0.420 174.610 174.900 0.217 0.000 1.359 387 G CA -0.586 44.625 45.100 0.184 0.000 0.861 387 G HN 0.484 nan 8.290 nan 0.000 0.541 388 D N 0.867 121.400 120.400 0.220 0.000 2.441 388 D HA 0.339 4.979 4.640 -0.000 0.000 0.243 388 D C 2.180 178.686 176.300 0.344 0.000 1.257 388 D CA 0.827 54.977 54.000 0.251 0.000 1.027 388 D CB -0.031 40.894 40.800 0.209 0.000 1.084 388 D HN 0.756 nan 8.370 nan 0.000 0.514 389 T N 0.629 115.411 114.554 0.380 0.000 2.833 389 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 389 T C 1.826 177.003 174.700 0.794 0.000 1.054 389 T CA 0.990 63.429 62.100 0.565 0.000 1.135 389 T CB -0.058 68.909 68.868 0.165 0.000 0.869 389 T HN 0.250 nan 8.240 nan 0.000 0.466 390 A N 1.473 124.625 122.820 0.554 0.000 1.873 390 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 390 A C 2.236 179.937 177.584 0.194 0.000 1.186 390 A CA 1.898 54.017 52.037 0.137 0.000 0.616 390 A CB -1.243 17.600 19.000 -0.261 0.000 0.823 390 A HN 0.721 nan 8.150 nan 0.000 0.442 391 H N -0.358 118.780 119.070 0.113 0.000 2.387 391 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 391 H C 2.097 177.467 175.328 0.070 0.000 1.090 391 H CA 2.086 58.165 56.048 0.051 0.000 1.332 391 H CB -0.202 29.584 29.762 0.040 0.000 1.386 391 H HN 0.582 nan 8.280 nan 0.000 0.516 392 Q N -0.987 118.891 119.800 0.129 0.000 2.061 392 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 392 Q C 2.013 177.976 176.000 -0.061 0.000 0.984 392 Q CA 1.995 57.837 55.803 0.065 0.000 0.846 392 Q CB -0.353 28.583 28.738 0.330 0.000 0.902 392 Q HN 0.687 nan 8.270 nan 0.000 0.421 393 Y N 0.851 121.112 120.300 -0.065 0.000 2.163 393 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 393 Y C 2.140 177.962 175.900 -0.130 0.000 1.136 393 Y CA 1.374 59.364 58.100 -0.185 0.000 1.147 393 Y CB 0.050 38.503 38.460 -0.011 0.000 0.987 393 Y HN -0.089 nan 8.280 nan 0.000 0.509 394 R N 0.097 120.374 120.500 -0.371 0.000 2.091 394 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 394 R C 2.541 178.527 176.300 -0.524 0.000 1.136 394 R CA 1.850 57.685 56.100 -0.442 0.000 0.959 394 R CB -0.383 29.785 30.300 -0.219 0.000 0.856 394 R HN 0.391 nan 8.270 nan 0.000 0.437 395 R N 0.543 120.738 120.500 -0.508 0.000 2.080 395 R HA -0.083 4.257 4.340 -0.000 0.000 0.222 395 R C 0.839 176.942 176.300 -0.328 0.000 1.107 395 R CA 1.528 57.349 56.100 -0.464 0.000 0.980 395 R CB 0.180 30.142 30.300 -0.563 0.000 0.879 395 R HN 0.127 nan 8.270 nan 0.000 0.439 396 D N -0.495 119.733 120.400 -0.286 0.000 2.327 396 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 396 D C 1.567 177.773 176.300 -0.156 0.000 0.989 396 D CA 0.615 54.502 54.000 -0.188 0.000 0.873 396 D CB 0.730 41.444 40.800 -0.144 0.000 0.955 396 D HN 0.121 nan 8.370 nan 0.000 0.515 397 V N 0.102 119.872 119.914 -0.240 0.000 3.054 397 V HA 0.002 4.122 4.120 -0.000 0.000 0.227 397 V C 1.782 177.809 176.094 -0.111 0.000 1.252 397 V CA -0.144 62.062 62.300 -0.157 0.000 1.279 397 V CB -0.155 31.589 31.823 -0.130 0.000 1.118 397 V HN -0.043 nan 8.190 nan 0.000 0.504 398 F N 2.511 122.064 119.950 -0.663 0.000 2.025 398 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 398 F C 2.624 178.264 175.800 -0.267 0.000 1.132 398 F CA 2.692 60.371 58.000 -0.534 0.000 1.191 398 F CB -0.670 37.789 39.000 -0.901 0.000 0.963 398 F HN 0.112 nan 8.300 nan 0.000 0.481 399 R N 0.792 121.040 120.500 -0.420 0.000 2.082 399 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 399 R C -0.823 175.422 176.300 -0.091 0.000 1.136 399 R CA 2.236 58.015 56.100 -0.535 0.000 0.935 399 R CB -1.933 27.953 30.300 -0.690 0.000 0.842 399 R HN 0.207 nan 8.270 nan 0.000 0.430 400 P HA -0.095 nan 4.420 nan 0.000 0.217 400 P C 1.038 178.436 177.300 0.163 0.000 1.150 400 P CA 1.147 64.271 63.100 0.040 0.000 0.832 400 P CB -0.225 31.481 31.700 0.010 0.000 0.787 401 F N -1.242 118.789 119.950 0.135 0.000 2.134 401 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 401 F C 1.911 177.970 175.800 0.431 0.000 1.097 401 F CA 1.265 59.424 58.000 0.265 0.000 1.264 401 F CB -0.360 38.851 39.000 0.351 0.000 1.001 401 F HN -0.231 nan 8.300 nan 0.000 0.479 402 F N 1.053 121.126 119.950 0.205 0.000 2.206 402 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 402 F C 2.176 178.059 175.800 0.139 0.000 1.090 402 F CA 1.312 59.420 58.000 0.180 0.000 1.323 402 F CB -0.991 38.203 39.000 0.323 0.000 1.028 402 F HN -0.041 nan 8.300 nan 0.000 0.492 403 D N -0.115 120.453 120.400 0.280 0.000 2.144 403 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 403 D C 2.209 178.476 176.300 -0.054 0.000 0.984 403 D CA 1.097 55.181 54.000 0.140 0.000 0.834 403 D CB -0.337 40.518 40.800 0.091 0.000 0.955 403 D HN 0.362 nan 8.370 nan 0.000 0.465 404 E N -0.783 119.298 120.200 -0.198 0.000 2.118 404 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 404 E C 1.168 177.421 176.600 -0.578 0.000 0.992 404 E CA 1.083 57.200 56.400 -0.472 0.000 0.804 404 E CB 0.001 29.246 29.700 -0.760 0.000 0.741 404 E HN 0.455 nan 8.360 nan 0.000 0.458 405 Y N -1.065 119.119 120.300 -0.193 0.000 2.481 405 Y HA 0.190 4.740 4.550 -0.000 0.000 0.258 405 Y C 1.716 177.512 175.900 -0.174 0.000 1.103 405 Y CA -0.059 57.916 58.100 -0.208 0.000 1.287 405 Y CB 0.536 38.811 38.460 -0.308 0.000 1.108 405 Y HN -0.015 nan 8.280 nan 0.000 0.529 406 L N -0.547 120.661 121.223 -0.026 0.000 2.575 406 L HA 0.181 4.521 4.340 -0.000 0.000 0.228 406 L C 0.277 177.084 176.870 -0.105 0.000 1.075 406 L CA 0.479 55.284 54.840 -0.058 0.000 0.867 406 L CB 0.300 42.358 42.059 -0.003 0.000 1.097 406 L HN -0.141 nan 8.230 nan 0.000 0.485 407 K N 1.489 121.836 120.400 -0.088 0.000 2.540 407 K HA 0.340 4.660 4.320 -0.000 0.000 0.218 407 K C -2.492 174.053 176.600 -0.090 0.000 1.017 407 K CA -1.762 54.464 56.287 -0.102 0.000 1.029 407 K CB 1.415 33.863 32.500 -0.086 0.000 1.348 407 K HN -0.213 nan 8.250 nan 0.000 0.508 408 P HA -0.092 nan 4.420 nan 0.000 0.260 408 P C 0.806 178.064 177.300 -0.070 0.000 1.172 408 P CA 1.129 64.183 63.100 -0.076 0.000 0.760 408 P CB 0.531 32.192 31.700 -0.065 0.000 0.773 409 G N 1.533 110.291 108.800 -0.070 0.000 2.195 409 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 409 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 409 G C 0.463 175.325 174.900 -0.063 0.000 0.990 409 G CA -0.147 44.918 45.100 -0.059 0.000 0.639 409 G HN 0.570 nan 8.290 nan 0.000 0.514 410 S N 0.653 116.305 115.700 -0.080 0.000 2.593 410 S HA 0.640 5.110 4.470 -0.000 0.000 0.269 410 S C 0.915 175.460 174.600 -0.092 0.000 1.334 410 S CA 0.243 58.395 58.200 -0.079 0.000 1.015 410 S CB 1.294 64.443 63.200 -0.084 0.000 0.912 410 S HN 1.579 nan 8.310 nan 0.000 0.541 411 A N 2.308 125.083 122.820 -0.076 0.000 2.477 411 A HA 0.382 4.702 4.320 -0.000 0.000 0.246 411 A C 0.496 178.009 177.584 -0.119 0.000 1.078 411 A CA -0.219 51.773 52.037 -0.074 0.000 0.770 411 A CB -0.014 18.958 19.000 -0.047 0.000 1.011 411 A HN 0.647 nan 8.150 nan 0.000 0.494 412 S N 0.175 115.792 115.700 -0.137 0.000 2.565 412 S HA 0.436 4.906 4.470 -0.000 0.000 0.276 412 S C 0.249 174.675 174.600 -0.291 0.000 1.326 412 S CA -0.194 57.862 58.200 -0.240 0.000 1.045 412 S CB 0.880 63.942 63.200 -0.231 0.000 0.918 412 S HN 1.292 nan 8.310 nan 0.000 0.505 413 V N 1.773 121.512 119.914 -0.292 0.000 2.667 413 V HA 0.594 4.714 4.120 -0.000 0.000 0.308 413 V C -0.724 175.188 176.094 -0.304 0.000 1.048 413 V CA -0.671 61.517 62.300 -0.186 0.000 0.928 413 V CB 1.450 33.309 31.823 0.061 0.000 1.004 413 V HN 0.900 nan 8.190 nan 0.000 0.444 414 H N 5.047 124.197 119.070 0.134 0.000 2.530 414 H HA 0.465 5.021 4.556 -0.000 0.000 0.246 414 H C -0.469 174.949 175.328 0.150 0.000 1.346 414 H CA -0.355 55.779 56.048 0.143 0.000 1.424 414 H CB 1.039 30.862 29.762 0.102 0.000 1.445 414 H HN 0.589 nan 8.280 nan 0.000 0.511 415 L N 3.861 125.222 121.223 0.230 0.000 2.439 415 L HA 0.200 4.540 4.340 -0.000 0.000 0.269 415 L C -1.354 175.629 176.870 0.189 0.000 1.179 415 L CA -1.522 53.423 54.840 0.176 0.000 0.828 415 L CB 0.298 42.388 42.059 0.053 0.000 1.106 415 L HN 0.303 nan 8.230 nan 0.000 0.467 416 P HA 0.150 nan 4.420 nan 0.000 0.302 416 P C -0.108 177.308 177.300 0.193 0.000 1.307 416 P CA -0.435 62.779 63.100 0.190 0.000 0.754 416 P CB 0.892 32.711 31.700 0.197 0.000 1.298 417 D N -0.967 119.588 120.400 0.259 0.000 2.097 417 D HA 0.043 4.683 4.640 -0.000 0.000 0.195 417 D C 0.535 176.980 176.300 0.241 0.000 0.989 417 D CA 1.453 55.690 54.000 0.395 0.000 0.827 417 D CB -0.246 40.859 40.800 0.507 0.000 0.966 417 D HN 0.509 nan 8.370 nan 0.000 0.456 418 A N -0.661 122.188 122.820 0.048 0.000 2.549 418 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 418 A C -1.251 176.128 177.584 -0.341 0.000 1.061 418 A CA -0.582 51.277 52.037 -0.297 0.000 0.690 418 A CB 1.347 19.978 19.000 -0.615 0.000 1.287 418 A HN 0.042 nan 8.150 nan 0.000 0.402 419 I N 2.621 122.915 120.570 -0.461 0.000 2.420 419 I HA 0.402 4.572 4.170 -0.000 0.000 0.282 419 I C -1.093 174.816 176.117 -0.347 0.000 1.019 419 I CA -0.065 60.910 61.300 -0.541 0.000 1.130 419 I CB 0.998 38.596 38.000 -0.669 0.000 1.262 419 I HN 0.468 nan 8.210 nan 0.000 0.454 420 I N 5.515 125.906 120.570 -0.299 0.000 2.545 420 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 420 I C -0.688 175.292 176.117 -0.229 0.000 1.040 420 I CA -0.988 60.151 61.300 -0.269 0.000 1.068 420 I CB 2.004 39.736 38.000 -0.448 0.000 1.251 420 I HN 0.366 nan 8.210 nan 0.000 0.424 421 Y N 5.581 125.495 120.300 -0.643 0.000 2.359 421 Y HA 0.158 4.708 4.550 -0.000 0.000 0.330 421 Y C 0.451 175.996 175.900 -0.591 0.000 1.143 421 Y CA 0.152 57.672 58.100 -0.967 0.000 1.318 421 Y CB 0.636 38.163 38.460 -1.556 0.000 1.234 421 Y HN 0.524 nan 8.280 nan 0.000 0.522 422 N N 3.595 121.758 118.700 -0.894 0.000 2.420 422 N HA 0.015 4.755 4.740 -0.000 0.000 0.249 422 N C 0.409 175.650 175.510 -0.449 0.000 1.033 422 N CA 0.324 53.053 53.050 -0.535 0.000 0.944 422 N CB 1.147 39.375 38.487 -0.431 0.000 1.113 422 N HN 0.882 nan 8.380 nan 0.000 0.502 423 T N -0.183 114.297 114.554 -0.123 0.000 3.163 423 T HA 0.077 4.427 4.350 -0.000 0.000 0.260 423 T C 1.361 176.112 174.700 0.085 0.000 1.156 423 T CA 0.537 62.739 62.100 0.169 0.000 1.072 423 T CB 0.208 69.249 68.868 0.289 0.000 0.937 423 T HN 0.442 nan 8.240 nan 0.000 0.528 424 G N 0.840 109.480 108.800 -0.267 0.000 2.742 424 G HA2 0.090 4.050 3.960 -0.000 0.000 0.204 424 G HA3 0.090 4.050 3.960 -0.000 0.000 0.204 424 G C 1.133 175.866 174.900 -0.279 0.000 1.126 424 G CA -0.015 44.796 45.100 -0.483 0.000 0.829 424 G HN 0.361 nan 8.290 nan 0.000 0.574 425 D N 0.505 120.742 120.400 -0.272 0.000 2.323 425 D HA 0.064 4.704 4.640 -0.000 0.000 0.209 425 D C 0.549 176.716 176.300 -0.221 0.000 0.973 425 D CA 0.377 54.245 54.000 -0.219 0.000 0.874 425 D CB 0.170 40.841 40.800 -0.215 0.000 0.930 425 D HN 0.080 nan 8.370 nan 0.000 0.521 426 Q N -0.414 119.205 119.800 -0.301 0.000 2.464 426 Q HA -0.211 4.129 4.340 -0.000 0.000 0.304 426 Q C -0.384 175.347 176.000 -0.449 0.000 1.401 426 Q CA 0.849 56.487 55.803 -0.274 0.000 0.806 426 Q CB -2.087 26.662 28.738 0.018 0.000 1.134 426 Q HN 0.588 nan 8.270 nan 0.000 0.411 427 K N -2.677 117.194 120.400 -0.882 0.000 2.579 427 K HA 0.608 4.928 4.320 -0.000 0.000 0.284 427 K C -1.264 174.892 176.600 -0.741 0.000 0.990 427 K CA -1.032 54.903 56.287 -0.587 0.000 0.880 427 K CB 0.807 33.169 32.500 -0.231 0.000 1.488 427 K HN -0.025 nan 8.250 nan 0.000 0.425 428 W N 1.804 122.960 121.300 -0.240 0.000 2.311 428 W HA 0.257 4.917 4.660 -0.000 0.000 0.310 428 W C -0.480 175.934 176.519 -0.175 0.000 1.274 428 W CA 0.145 57.391 57.345 -0.165 0.000 1.215 428 W CB 0.978 30.464 29.460 0.044 0.000 1.227 428 W HN 0.366 nan 8.180 nan 0.000 0.523 429 D N 2.611 122.954 120.400 -0.095 0.000 2.193 429 D HA 0.172 4.812 4.640 -0.000 0.000 0.244 429 D C -1.203 174.811 176.300 -0.477 0.000 1.064 429 D CA -0.496 53.289 54.000 -0.359 0.000 0.845 429 D CB 1.138 41.520 40.800 -0.696 0.000 1.148 429 D HN 0.259 nan 8.370 nan 0.000 0.464 430 Y N 1.692 121.707 120.300 -0.474 0.000 2.417 430 Y HA 0.242 4.792 4.550 -0.000 0.000 0.336 430 Y C -0.382 175.333 175.900 -0.308 0.000 0.961 430 Y CA -0.794 57.122 58.100 -0.306 0.000 1.215 430 Y CB 0.742 39.120 38.460 -0.138 0.000 1.120 430 Y HN 0.273 nan 8.280 nan 0.000 0.499 431 Y N 3.355 123.689 120.300 0.058 0.000 2.417 431 Y HA 0.277 4.827 4.550 -0.000 0.000 0.336 431 Y C 1.445 177.439 175.900 0.157 0.000 0.961 431 Y CA -0.738 57.432 58.100 0.116 0.000 1.215 431 Y CB 1.082 39.622 38.460 0.133 0.000 1.120 431 Y HN 0.611 nan 8.280 nan 0.000 0.499 432 R N 1.181 121.864 120.500 0.305 0.000 2.105 432 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 432 R C 0.136 176.591 176.300 0.259 0.000 1.135 432 R CA 1.162 57.406 56.100 0.239 0.000 0.967 432 R CB 0.124 30.532 30.300 0.180 0.000 0.861 432 R HN 0.455 nan 8.270 nan 0.000 0.442 433 S N -0.751 115.117 115.700 0.280 0.000 2.605 433 S HA 0.392 4.862 4.470 -0.000 0.000 0.308 433 S C -2.103 172.686 174.600 0.314 0.000 1.113 433 S CA -0.750 57.600 58.200 0.251 0.000 1.049 433 S CB 0.832 64.120 63.200 0.147 0.000 1.001 433 S HN 0.331 nan 8.310 nan 0.000 0.480 434 W N 6.391 127.777 121.300 0.143 0.000 3.129 434 W HA 0.582 5.242 4.660 -0.000 0.000 0.333 434 W C -2.880 173.750 176.519 0.185 0.000 1.141 434 W CA -1.555 55.835 57.345 0.074 0.000 1.224 434 W CB 1.411 30.902 29.460 0.051 0.000 1.393 434 W HN 0.463 nan 8.180 nan 0.000 0.499 435 P HA 0.300 nan 4.420 nan 0.000 0.278 435 P C 0.123 177.121 177.300 -0.503 0.000 1.266 435 P CA -0.248 62.110 63.100 -1.237 0.000 0.807 435 P CB 1.753 32.623 31.700 -1.383 0.000 1.094 436 S N -0.984 114.460 115.700 -0.425 0.000 2.446 436 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 436 S C 0.679 175.165 174.600 -0.190 0.000 1.016 436 S CA 0.230 58.304 58.200 -0.209 0.000 0.943 436 S CB -0.244 62.869 63.200 -0.146 0.000 0.786 436 S HN 0.442 nan 8.310 nan 0.000 0.508 437 V N -0.482 119.284 119.914 -0.247 0.000 2.789 437 V HA 0.925 5.045 4.120 -0.000 0.000 0.311 437 V C -0.275 175.691 176.094 -0.213 0.000 1.073 437 V CA -1.197 60.993 62.300 -0.182 0.000 0.921 437 V CB 0.688 32.432 31.823 -0.133 0.000 1.009 437 V HN 0.415 nan 8.190 nan 0.000 0.426 438 C N 1.798 121.007 119.300 -0.151 0.000 3.253 438 C HA 0.551 5.011 4.460 -0.000 0.000 0.361 438 C C 0.971 175.916 174.990 -0.076 0.000 1.498 438 C CA 0.174 59.111 59.018 -0.135 0.000 1.163 438 C CB 1.036 28.673 27.740 -0.172 0.000 1.687 438 C HN 0.979 nan 8.230 nan 0.000 0.430 439 E N 0.948 121.119 120.200 -0.049 0.000 2.076 439 E HA 0.123 4.473 4.350 -0.000 0.000 0.190 439 E C 0.273 176.863 176.600 -0.017 0.000 0.979 439 E CA 1.310 57.704 56.400 -0.010 0.000 0.807 439 E CB 0.110 29.832 29.700 0.037 0.000 0.761 439 E HN 0.631 nan 8.360 nan 0.000 0.454 440 S N -0.117 115.566 115.700 -0.029 0.000 2.547 440 S HA 0.271 4.741 4.470 -0.000 0.000 0.281 440 S C -0.763 173.812 174.600 -0.043 0.000 1.118 440 S CA -0.812 57.371 58.200 -0.028 0.000 0.947 440 S CB 1.548 64.739 63.200 -0.014 0.000 1.053 440 S HN 0.297 nan 8.310 nan 0.000 0.482 441 N N -0.061 118.615 118.700 -0.039 0.000 2.756 441 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 441 N C -0.863 174.613 175.510 -0.057 0.000 1.062 441 N CA 0.502 53.526 53.050 -0.043 0.000 0.696 441 N CB -1.373 37.089 38.487 -0.041 0.000 0.946 441 N HN 0.475 nan 8.380 nan 0.000 0.548 442 C N -1.450 117.814 119.300 -0.059 0.000 2.971 442 C HA 0.437 4.897 4.460 -0.000 0.000 0.310 442 C C 2.242 177.198 174.990 -0.056 0.000 1.285 442 C CA -0.400 58.574 59.018 -0.073 0.000 1.593 442 C CB 1.490 29.167 27.740 -0.105 0.000 2.076 442 C HN 0.547 nan 8.230 nan 0.000 0.472 443 T N 0.813 115.334 114.554 -0.055 0.000 2.720 443 T HA 0.076 4.426 4.350 -0.000 0.000 0.268 443 T C 0.736 175.412 174.700 -0.040 0.000 1.037 443 T CA 1.711 63.788 62.100 -0.039 0.000 1.144 443 T CB -0.213 68.636 68.868 -0.032 0.000 0.864 443 T HN 0.944 nan 8.240 nan 0.000 0.444 444 G N -0.807 107.961 108.800 -0.054 0.000 2.680 444 G HA2 0.614 4.574 3.960 -0.000 0.000 0.290 444 G HA3 0.614 4.574 3.960 -0.000 0.000 0.290 444 G C -0.409 174.458 174.900 -0.056 0.000 1.355 444 G CA -0.374 44.697 45.100 -0.048 0.000 0.903 444 G HN 0.372 nan 8.290 nan 0.000 0.474 445 G N -1.331 107.443 108.800 -0.043 0.000 2.531 445 G HA2 0.566 4.526 3.960 -0.000 0.000 0.313 445 G HA3 0.566 4.526 3.960 -0.000 0.000 0.313 445 G C -0.118 174.757 174.900 -0.041 0.000 1.238 445 G CA -0.861 44.216 45.100 -0.039 0.000 0.994 445 G HN 0.610 nan 8.290 nan 0.000 0.493 446 L N -0.528 120.675 121.223 -0.034 0.000 2.439 446 L HA 0.383 4.723 4.340 -0.000 0.000 0.261 446 L C 0.324 177.187 176.870 -0.011 0.000 1.153 446 L CA -0.315 54.507 54.840 -0.031 0.000 0.808 446 L CB 1.269 43.307 42.059 -0.035 0.000 1.126 446 L HN 0.321 nan 8.230 nan 0.000 0.460 447 T N 1.786 116.343 114.554 0.005 0.000 2.772 447 T HA 0.363 4.713 4.350 -0.000 0.000 0.288 447 T C -2.532 172.202 174.700 0.056 0.000 0.994 447 T CA -1.330 60.797 62.100 0.045 0.000 0.951 447 T CB 1.474 70.367 68.868 0.042 0.000 0.933 447 T HN 0.265 nan 8.240 nan 0.000 0.447 448 P HA 0.285 nan 4.420 nan 0.000 0.276 448 P C -0.806 176.300 177.300 -0.323 0.000 1.235 448 P CA -0.749 62.172 63.100 -0.298 0.000 0.772 448 P CB 0.516 31.838 31.700 -0.631 0.000 0.871 449 L N 5.881 126.871 121.223 -0.387 0.000 2.297 449 L HA 0.373 4.713 4.340 -0.000 0.000 0.277 449 L C -1.047 175.575 176.870 -0.412 0.000 1.040 449 L CA -0.850 53.684 54.840 -0.511 0.000 0.867 449 L CB -0.754 40.971 42.059 -0.556 0.000 1.244 449 L HN 0.207 nan 8.230 nan 0.000 0.433 450 Y N 3.950 124.133 120.300 -0.195 0.000 2.411 450 Y HA 0.262 4.812 4.550 -0.000 0.000 0.333 450 Y C 0.315 176.080 175.900 -0.225 0.000 1.186 450 Y CA -0.211 57.798 58.100 -0.152 0.000 1.381 450 Y CB 0.490 38.894 38.460 -0.093 0.000 1.273 450 Y HN 0.376 nan 8.280 nan 0.000 0.546 451 L N 2.722 123.884 121.223 -0.100 0.000 2.397 451 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 451 L C 0.341 177.057 176.870 -0.256 0.000 1.148 451 L CA 0.330 54.972 54.840 -0.331 0.000 0.825 451 L CB 0.444 42.144 42.059 -0.600 0.000 1.117 451 L HN 0.856 nan 8.230 nan 0.000 0.456 452 A N 1.788 124.410 122.820 -0.330 0.000 2.504 452 A HA 0.577 4.897 4.320 -0.000 0.000 0.285 452 A C -1.158 176.060 177.584 -0.611 0.000 1.261 452 A CA -0.687 51.108 52.037 -0.405 0.000 0.741 452 A CB 0.781 19.674 19.000 -0.179 0.000 1.327 452 A HN 0.711 nan 8.150 nan 0.000 0.441 453 D N -0.462 119.696 120.400 -0.404 0.000 2.368 453 D HA 0.349 4.989 4.640 -0.000 0.000 0.240 453 D C 0.840 177.067 176.300 -0.122 0.000 1.169 453 D CA 0.817 54.681 54.000 -0.227 0.000 0.906 453 D CB 0.648 41.421 40.800 -0.045 0.000 1.187 453 D HN 1.852 nan 8.370 nan 0.000 0.435 454 G N 1.335 110.102 108.800 -0.056 0.000 2.221 454 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.265 454 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.265 454 G C 0.474 175.426 174.900 0.087 0.000 1.041 454 G CA 0.511 45.632 45.100 0.034 0.000 0.807 454 G HN 0.908 nan 8.290 nan 0.000 0.502 455 H N -2.333 116.681 119.070 -0.094 0.000 2.713 455 H HA -0.162 4.394 4.556 -0.000 0.000 0.311 455 H C 1.332 176.663 175.328 0.005 0.000 1.175 455 H CA 1.572 57.515 56.048 -0.174 0.000 1.143 455 H CB -1.379 28.183 29.762 -0.334 0.000 1.434 455 H HN 1.345 nan 8.280 nan 0.000 0.418 456 G N -0.084 108.786 108.800 0.115 0.000 2.521 456 G HA2 0.642 4.602 3.960 -0.000 0.000 0.323 456 G HA3 0.642 4.602 3.960 -0.000 0.000 0.323 456 G C -0.267 174.662 174.900 0.049 0.000 1.211 456 G CA -0.815 44.325 45.100 0.066 0.000 0.979 456 G HN 0.134 nan 8.290 nan 0.000 0.490 457 L N 0.433 121.640 121.223 -0.025 0.000 2.409 457 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 457 L C -0.244 176.535 176.870 -0.152 0.000 0.980 457 L CA -0.666 54.105 54.840 -0.114 0.000 0.826 457 L CB 2.288 44.256 42.059 -0.151 0.000 1.268 457 L HN 0.585 nan 8.230 nan 0.000 0.407 458 S N 1.186 116.792 115.700 -0.156 0.000 2.549 458 S HA 0.540 5.010 4.470 -0.000 0.000 0.280 458 S C 0.037 174.589 174.600 -0.080 0.000 1.109 458 S CA -0.464 57.674 58.200 -0.102 0.000 0.905 458 S CB 1.130 64.322 63.200 -0.013 0.000 1.081 458 S HN 0.465 nan 8.310 nan 0.000 0.477 459 F N 1.730 121.741 119.950 0.102 0.000 2.811 459 F HA 0.186 4.713 4.527 -0.000 0.000 0.301 459 F C 1.298 177.233 175.800 0.225 0.000 1.151 459 F CA 0.234 58.319 58.000 0.142 0.000 1.412 459 F CB 0.479 39.518 39.000 0.065 0.000 1.113 459 F HN 0.387 nan 8.300 nan 0.000 0.579 460 T N 0.033 114.756 114.554 0.283 0.000 2.767 460 T HA 0.041 4.391 4.350 -0.000 0.000 0.284 460 T C -0.301 174.376 174.700 -0.038 0.000 0.973 460 T CA -0.410 61.778 62.100 0.147 0.000 0.996 460 T CB 0.355 69.268 68.868 0.074 0.000 0.927 460 T HN 0.088 nan 8.240 nan 0.000 0.456 461 H N 5.550 124.405 119.070 -0.358 0.000 3.046 461 H HA 0.092 4.648 4.556 -0.000 0.000 0.303 461 H C -2.402 172.666 175.328 -0.433 0.000 1.002 461 H CA -1.268 54.242 56.048 -0.895 0.000 1.460 461 H CB 0.540 29.841 29.762 -0.768 0.000 1.493 461 H HN 0.262 nan 8.280 nan 0.000 0.559 462 P HA 0.089 nan 4.420 nan 0.000 0.276 462 P C 0.106 177.080 177.300 -0.544 0.000 1.253 462 P CA -0.119 62.692 63.100 -0.482 0.000 0.766 462 P CB 1.002 32.505 31.700 -0.329 0.000 0.845 463 A N 3.814 126.488 122.820 -0.243 0.000 1.897 463 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 463 A C 1.217 178.737 177.584 -0.106 0.000 1.181 463 A CA 1.205 53.172 52.037 -0.118 0.000 0.620 463 A CB -0.946 18.027 19.000 -0.044 0.000 0.821 463 A HN 0.602 nan 8.150 nan 0.000 0.443 464 A N 0.586 123.345 122.820 -0.102 0.000 2.388 464 A HA 0.432 4.752 4.320 -0.000 0.000 0.257 464 A C -0.459 177.068 177.584 -0.095 0.000 1.095 464 A CA -0.442 51.550 52.037 -0.075 0.000 0.791 464 A CB 0.114 19.082 19.000 -0.053 0.000 1.029 464 A HN 0.421 nan 8.150 nan 0.000 0.489 465 D N 0.449 120.797 120.400 -0.086 0.000 2.304 465 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 465 D C 0.356 176.478 176.300 -0.297 0.000 1.089 465 D CA 1.019 54.942 54.000 -0.127 0.000 0.910 465 D CB 1.734 42.538 40.800 0.007 0.000 1.199 465 D HN 0.769 nan 8.370 nan 0.000 0.426 466 G N -0.734 107.635 108.800 -0.719 0.000 2.608 466 G HA2 0.662 4.622 3.960 -0.000 0.000 0.291 466 G HA3 0.662 4.622 3.960 -0.000 0.000 0.291 466 G C -1.932 172.167 174.900 -1.334 0.000 1.425 466 G CA -0.450 44.122 45.100 -0.880 0.000 0.787 466 G HN 0.588 nan 8.290 nan 0.000 0.484 467 A N 0.162 122.532 122.820 -0.749 0.000 2.589 467 A HA 0.748 5.068 4.320 -0.000 0.000 0.296 467 A C -2.049 175.513 177.584 -0.037 0.000 1.062 467 A CA -0.670 51.134 52.037 -0.388 0.000 0.686 467 A CB 1.977 20.839 19.000 -0.229 0.000 1.282 467 A HN 0.490 nan 8.150 nan 0.000 0.404 468 D N 0.849 121.314 120.400 0.108 0.000 2.481 468 D HA 0.678 5.318 4.640 -0.000 0.000 0.244 468 D C -0.644 175.774 176.300 0.197 0.000 1.057 468 D CA -0.002 54.091 54.000 0.156 0.000 0.848 468 D CB 2.186 43.077 40.800 0.152 0.000 1.388 468 D HN 0.329 nan 8.370 nan 0.000 0.475 469 S N 0.622 116.431 115.700 0.182 0.000 2.568 469 S HA 0.713 5.183 4.470 -0.000 0.000 0.302 469 S C -1.109 173.644 174.600 0.256 0.000 1.082 469 S CA -0.748 57.550 58.200 0.163 0.000 1.009 469 S CB 1.206 64.457 63.200 0.085 0.000 1.069 469 S HN 0.448 nan 8.310 nan 0.000 0.500 470 Y N -1.276 119.101 120.300 0.128 0.000 2.544 470 Y HA 0.755 5.305 4.550 -0.000 0.000 0.342 470 Y C -1.440 174.518 175.900 0.098 0.000 1.062 470 Y CA -1.305 56.859 58.100 0.107 0.000 1.023 470 Y CB 0.341 38.870 38.460 0.116 0.000 1.308 470 Y HN 0.271 nan 8.280 nan 0.000 0.457 471 V N 3.023 123.045 119.914 0.180 0.000 2.407 471 V HA 0.408 4.528 4.120 -0.000 0.000 0.278 471 V C -0.043 176.147 176.094 0.160 0.000 1.037 471 V CA -0.378 61.975 62.300 0.090 0.000 0.900 471 V CB 1.255 33.126 31.823 0.079 0.000 0.983 471 V HN 0.837 nan 8.190 nan 0.000 0.459 472 S N 3.570 119.321 115.700 0.086 0.000 2.420 472 S HA 0.315 4.785 4.470 -0.000 0.000 0.313 472 S C -0.661 173.991 174.600 0.086 0.000 1.079 472 S CA -0.629 57.644 58.200 0.121 0.000 1.104 472 S CB 0.491 63.733 63.200 0.069 0.000 0.969 472 S HN 0.823 nan 8.310 nan 0.000 0.471 473 D N 5.487 125.956 120.400 0.114 0.000 2.414 473 D HA 0.452 5.092 4.640 -0.000 0.000 0.232 473 D C -1.850 174.502 176.300 0.087 0.000 1.070 473 D CA -2.294 51.776 54.000 0.117 0.000 0.839 473 D CB 1.881 42.787 40.800 0.177 0.000 1.079 473 D HN 0.217 nan 8.370 nan 0.000 0.521 474 P HA -0.030 nan 4.420 nan 0.000 0.225 474 P C 0.775 177.979 177.300 -0.161 0.000 1.148 474 P CA 0.696 63.783 63.100 -0.021 0.000 0.779 474 P CB 0.300 32.067 31.700 0.110 0.000 0.780 475 A N -1.476 121.268 122.820 -0.127 0.000 2.119 475 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 475 A C 0.402 177.678 177.584 -0.513 0.000 1.152 475 A CA 0.976 52.827 52.037 -0.310 0.000 0.708 475 A CB -0.985 17.855 19.000 -0.266 0.000 0.805 475 A HN 0.271 nan 8.150 nan 0.000 0.460 476 H N -0.378 118.687 119.070 -0.008 0.000 2.439 476 H HA 0.274 4.830 4.556 -0.000 0.000 0.228 476 H C -2.804 172.575 175.328 0.085 0.000 1.423 476 H CA -1.683 54.408 56.048 0.072 0.000 1.386 476 H CB 0.501 30.310 29.762 0.078 0.000 1.641 476 H HN 0.269 nan 8.280 nan 0.000 0.508 477 P HA 0.001 nan 4.420 nan 0.000 0.272 477 P C 0.120 177.604 177.300 0.308 0.000 1.223 477 P CA -0.312 62.835 63.100 0.078 0.000 0.784 477 P CB 1.583 33.124 31.700 -0.265 0.000 0.923 478 V N 3.900 123.989 119.914 0.292 0.000 2.470 478 V HA 0.114 4.234 4.120 -0.000 0.000 0.276 478 V C -1.965 174.402 176.094 0.456 0.000 1.040 478 V CA -1.454 61.039 62.300 0.321 0.000 1.008 478 V CB 0.013 31.978 31.823 0.237 0.000 0.990 478 V HN 0.531 nan 8.190 nan 0.000 0.477 479 P HA 0.061 nan 4.420 nan 0.000 0.267 479 P C 0.566 178.036 177.300 0.283 0.000 1.209 479 P CA -0.218 63.110 63.100 0.380 0.000 0.763 479 P CB 0.261 32.037 31.700 0.126 0.000 0.816 480 F N 5.525 125.498 119.950 0.039 0.000 2.216 480 F HA 0.001 4.528 4.527 -0.000 0.000 0.300 480 F C 0.596 176.287 175.800 -0.180 0.000 1.085 480 F CA 0.494 58.386 58.000 -0.180 0.000 1.326 480 F CB -0.777 37.684 39.000 -0.899 0.000 1.027 480 F HN 0.144 nan 8.300 nan 0.000 0.497 481 I N -3.097 116.888 120.570 -0.975 0.000 2.994 481 I HA 0.500 4.670 4.170 -0.000 0.000 0.306 481 I C -0.163 175.701 176.117 -0.422 0.000 1.195 481 I CA -1.420 59.459 61.300 -0.702 0.000 1.001 481 I CB 1.738 39.147 38.000 -0.986 0.000 1.244 481 I HN -0.263 nan 8.210 nan 0.000 0.437 482 S N 2.288 117.845 115.700 -0.239 0.000 2.561 482 S HA 0.105 4.575 4.470 -0.000 0.000 0.294 482 S C 0.242 174.769 174.600 -0.121 0.000 1.294 482 S CA -0.236 57.877 58.200 -0.145 0.000 1.055 482 S CB -0.018 63.122 63.200 -0.101 0.000 0.819 482 S HN 0.475 nan 8.310 nan 0.000 0.503 483 R N 2.606 123.039 120.500 -0.111 0.000 2.582 483 R HA 0.333 4.673 4.340 -0.000 0.000 0.271 483 R C -2.022 174.249 176.300 -0.048 0.000 1.078 483 R CA -1.256 54.794 56.100 -0.085 0.000 1.127 483 R CB -0.057 30.130 30.300 -0.188 0.000 1.038 483 R HN 0.455 nan 8.270 nan 0.000 0.500 484 P HA 0.243 nan 4.420 nan 0.000 0.284 484 P C -1.392 175.954 177.300 0.076 0.000 1.258 484 P CA -0.334 62.776 63.100 0.018 0.000 0.824 484 P CB 0.779 32.483 31.700 0.006 0.000 1.038 485 F N 1.127 121.030 119.950 -0.079 0.000 2.561 485 F HA 0.647 5.174 4.527 -0.000 0.000 0.313 485 F C -1.532 174.180 175.800 -0.147 0.000 1.126 485 F CA -0.618 57.304 58.000 -0.130 0.000 0.918 485 F CB 1.797 40.670 39.000 -0.212 0.000 1.199 485 F HN 0.529 nan 8.300 nan 0.000 0.444 486 A N 5.363 127.513 122.820 -1.116 0.000 2.365 486 A HA 0.524 4.844 4.320 -0.000 0.000 0.318 486 A C -0.276 176.468 177.584 -1.401 0.000 1.091 486 A CA -0.620 50.860 52.037 -0.929 0.000 0.763 486 A CB 0.463 19.230 19.000 -0.389 0.000 1.248 486 A HN 0.875 nan 8.150 nan 0.000 0.442 487 F N 1.466 120.942 119.950 -0.791 0.000 2.373 487 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 487 F C 2.438 178.013 175.800 -0.374 0.000 1.080 487 F CA 1.677 59.341 58.000 -0.560 0.000 1.417 487 F CB 0.136 38.910 39.000 -0.375 0.000 1.070 487 F HN 0.655 nan 8.300 nan 0.000 0.546 488 A N -0.750 121.973 122.820 -0.163 0.000 2.119 488 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 488 A C 1.236 178.776 177.584 -0.074 0.000 1.152 488 A CA 0.270 52.257 52.037 -0.083 0.000 0.708 488 A CB -0.466 18.496 19.000 -0.063 0.000 0.805 488 A HN 0.341 nan 8.150 nan 0.000 0.460 489 Q N 0.695 120.406 119.800 -0.149 0.000 2.837 489 Q HA 0.220 4.560 4.340 -0.000 0.000 0.235 489 Q C 0.709 176.798 176.000 0.149 0.000 1.348 489 Q CA -0.329 55.458 55.803 -0.027 0.000 0.990 489 Q CB 0.235 28.930 28.738 -0.070 0.000 1.570 489 Q HN 0.487 nan 8.270 nan 0.000 0.575 490 S N 0.508 116.294 115.700 0.145 0.000 2.383 490 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 490 S C 2.027 176.774 174.600 0.245 0.000 1.030 490 S CA 1.665 60.008 58.200 0.238 0.000 1.002 490 S CB -0.038 63.253 63.200 0.151 0.000 0.829 490 S HN 0.770 nan 8.310 nan 0.000 0.467 491 S N 1.599 117.391 115.700 0.153 0.000 2.419 491 S HA -0.033 4.437 4.470 -0.000 0.000 0.233 491 S C 1.685 176.369 174.600 0.140 0.000 1.016 491 S CA 0.641 58.909 58.200 0.113 0.000 0.974 491 S CB -0.248 62.991 63.200 0.065 0.000 0.786 491 S HN 0.461 nan 8.310 nan 0.000 0.492 492 R N -0.857 119.773 120.500 0.218 0.000 2.189 492 R HA 0.150 4.490 4.340 -0.000 0.000 0.203 492 R C 2.093 178.579 176.300 0.311 0.000 1.012 492 R CA 0.612 56.849 56.100 0.228 0.000 1.015 492 R CB -0.305 30.159 30.300 0.273 0.000 0.938 492 R HN 0.677 nan 8.270 nan 0.000 0.472 493 W N 2.882 124.347 121.300 0.274 0.000 2.407 493 W HA -0.116 4.544 4.660 -0.000 0.000 0.305 493 W C 1.152 177.855 176.519 0.306 0.000 1.196 493 W CA 1.123 58.654 57.345 0.311 0.000 1.311 493 W CB 0.015 29.691 29.460 0.360 0.000 1.135 493 W HN -0.070 nan 8.180 nan 0.000 0.514 494 K N 0.111 120.556 120.400 0.074 0.000 2.020 494 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 494 K C -0.977 175.542 176.600 -0.135 0.000 1.050 494 K CA 1.987 58.227 56.287 -0.078 0.000 0.929 494 K CB -1.567 30.961 32.500 0.046 0.000 0.714 494 K HN 0.175 nan 8.250 nan 0.000 0.443 495 P HA -0.029 nan 4.420 nan 0.000 0.254 495 P C 0.451 177.660 177.300 -0.151 0.000 1.620 495 P CA -0.161 62.859 63.100 -0.132 0.000 1.050 495 P CB -0.608 31.038 31.700 -0.090 0.000 1.539 496 W N 0.268 121.403 121.300 -0.274 0.000 2.374 496 W HA -0.088 4.572 4.660 -0.000 0.000 0.288 496 W C 0.496 176.889 176.519 -0.210 0.000 1.218 496 W CA 0.188 57.367 57.345 -0.276 0.000 1.245 496 W CB -1.323 27.940 29.460 -0.329 0.000 1.126 496 W HN -0.144 nan 8.180 nan 0.000 0.545 497 L N 2.014 122.665 121.223 -0.954 0.000 2.456 497 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 497 L C 2.170 178.755 176.870 -0.475 0.000 1.148 497 L CA 1.062 55.360 54.840 -0.903 0.000 0.825 497 L CB -0.399 41.269 42.059 -0.651 0.000 0.937 497 L HN 0.017 nan 8.230 nan 0.000 0.450 498 V N -5.090 114.539 119.914 -0.474 0.000 3.427 498 V HA 0.187 4.307 4.120 -0.000 0.000 0.305 498 V C 0.888 176.928 176.094 -0.091 0.000 1.412 498 V CA -0.452 61.585 62.300 -0.438 0.000 1.086 498 V CB -0.130 31.244 31.823 -0.749 0.000 0.964 498 V HN 0.116 nan 8.190 nan 0.000 0.439 499 Q N 1.849 121.618 119.800 -0.051 0.000 2.421 499 Q HA 0.211 4.551 4.340 -0.000 0.000 0.255 499 Q C -0.194 175.773 176.000 -0.054 0.000 1.013 499 Q CA 0.244 56.059 55.803 0.020 0.000 0.895 499 Q CB 0.689 29.425 28.738 -0.003 0.000 1.271 499 Q HN 0.529 nan 8.270 nan 0.000 0.460 500 D N 1.439 121.647 120.400 -0.320 0.000 2.458 500 D HA -0.070 4.570 4.640 -0.000 0.000 0.243 500 D C 0.177 176.316 176.300 -0.268 0.000 1.146 500 D CA 0.269 53.850 54.000 -0.698 0.000 0.877 500 D CB 0.725 40.960 40.800 -0.941 0.000 1.176 500 D HN 0.176 nan 8.370 nan 0.000 0.461 501 Q N 3.255 122.949 119.800 -0.177 0.000 2.222 501 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 501 Q C 1.379 177.347 176.000 -0.053 0.000 0.877 501 Q CA -0.009 55.772 55.803 -0.037 0.000 0.958 501 Q CB 0.233 29.000 28.738 0.048 0.000 1.075 501 Q HN 0.500 nan 8.270 nan 0.000 0.483 502 R N 0.486 120.917 120.500 -0.115 0.000 2.148 502 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 502 R C 1.924 178.188 176.300 -0.061 0.000 1.103 502 R CA 0.953 57.001 56.100 -0.088 0.000 0.983 502 R CB 0.186 30.419 30.300 -0.112 0.000 0.874 502 R HN 0.368 nan 8.270 nan 0.000 0.451 503 E N 0.630 120.795 120.200 -0.058 0.000 2.051 503 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 503 E C 1.869 178.460 176.600 -0.014 0.000 0.991 503 E CA 1.267 57.645 56.400 -0.037 0.000 0.799 503 E CB -0.021 29.657 29.700 -0.037 0.000 0.748 503 E HN 0.344 nan 8.360 nan 0.000 0.449 504 A N 1.303 124.127 122.820 0.008 0.000 1.902 504 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 504 A C 2.068 179.645 177.584 -0.012 0.000 1.181 504 A CA 1.710 53.761 52.037 0.024 0.000 0.623 504 A CB -0.639 18.401 19.000 0.067 0.000 0.818 504 A HN 0.475 nan 8.150 nan 0.000 0.443 505 E N 0.497 120.683 120.200 -0.025 0.000 2.118 505 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 505 E C 1.994 178.559 176.600 -0.059 0.000 0.992 505 E CA 1.539 57.910 56.400 -0.048 0.000 0.804 505 E CB -0.134 29.538 29.700 -0.048 0.000 0.741 505 E HN 0.725 nan 8.360 nan 0.000 0.458 506 S N -0.112 115.559 115.700 -0.048 0.000 2.555 506 S HA -0.016 4.454 4.470 -0.000 0.000 0.230 506 S C 0.783 175.359 174.600 -0.039 0.000 0.978 506 S CA -0.115 58.057 58.200 -0.047 0.000 0.934 506 S CB -0.139 63.036 63.200 -0.041 0.000 0.766 506 S HN 0.106 nan 8.310 nan 0.000 0.533 507 R N 1.839 122.321 120.500 -0.032 0.000 2.457 507 R HA 0.332 4.672 4.340 -0.000 0.000 0.284 507 R C -1.767 174.522 176.300 -0.019 0.000 1.024 507 R CA -1.993 54.097 56.100 -0.017 0.000 1.025 507 R CB 0.392 30.694 30.300 0.003 0.000 1.063 507 R HN 0.155 nan 8.270 nan 0.000 0.493 508 P HA -0.084 nan 4.420 nan 0.000 0.236 508 P C -0.214 177.133 177.300 0.078 0.000 1.177 508 P CA 0.930 64.046 63.100 0.027 0.000 0.773 508 P CB 0.231 31.949 31.700 0.030 0.000 0.878 509 D N -0.543 119.899 120.400 0.070 0.000 2.395 509 D HA 0.109 4.749 4.640 -0.000 0.000 0.226 509 D C 0.005 176.247 176.300 -0.096 0.000 1.146 509 D CA -0.636 53.449 54.000 0.141 0.000 0.830 509 D CB -0.285 40.614 40.800 0.165 0.000 0.958 509 D HN -0.032 nan 8.370 nan 0.000 0.501 510 V N 0.349 120.139 119.914 -0.207 0.000 2.686 510 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 510 V C -0.596 175.316 176.094 -0.304 0.000 1.065 510 V CA -1.171 60.919 62.300 -0.350 0.000 0.894 510 V CB 2.448 34.181 31.823 -0.149 0.000 1.004 510 V HN -0.003 nan 8.190 nan 0.000 0.424 511 V N 4.468 124.163 119.914 -0.365 0.000 2.435 511 V HA 0.693 4.813 4.120 -0.000 0.000 0.290 511 V C 0.020 176.081 176.094 -0.054 0.000 1.030 511 V CA 0.292 62.525 62.300 -0.112 0.000 0.881 511 V CB 2.098 33.980 31.823 0.099 0.000 0.983 511 V HN 1.037 nan 8.190 nan 0.000 0.445 512 T N 6.859 121.330 114.554 -0.138 0.000 2.841 512 T HA 0.674 5.024 4.350 -0.000 0.000 0.283 512 T C -1.456 173.106 174.700 -0.229 0.000 1.000 512 T CA -0.085 61.961 62.100 -0.091 0.000 0.977 512 T CB 1.143 69.958 68.868 -0.088 0.000 0.979 512 T HN 0.548 nan 8.240 nan 0.000 0.446 513 Y N 1.335 121.671 120.300 0.061 0.000 2.499 513 Y HA 0.603 5.153 4.550 -0.000 0.000 0.347 513 Y C 0.310 176.207 175.900 -0.005 0.000 0.987 513 Y CA -1.098 57.023 58.100 0.036 0.000 1.044 513 Y CB 1.916 40.366 38.460 -0.016 0.000 1.245 513 Y HN 0.714 nan 8.280 nan 0.000 0.461 514 E N -0.847 119.428 120.200 0.126 0.000 2.390 514 E HA 0.504 4.854 4.350 -0.000 0.000 0.280 514 E C -1.331 175.278 176.600 0.014 0.000 0.992 514 E CA -1.182 55.247 56.400 0.047 0.000 0.790 514 E CB 1.824 31.544 29.700 0.034 0.000 1.248 514 E HN 0.534 nan 8.360 nan 0.000 0.447 515 T N -0.525 114.015 114.554 -0.022 0.000 2.788 515 T HA 0.258 4.608 4.350 -0.000 0.000 0.280 515 T C 0.388 175.092 174.700 0.007 0.000 0.984 515 T CA -0.785 61.297 62.100 -0.030 0.000 0.972 515 T CB 0.811 69.644 68.868 -0.059 0.000 1.039 515 T HN 0.486 nan 8.240 nan 0.000 0.530 516 E N 0.003 120.213 120.200 0.017 0.000 2.397 516 E HA 0.248 4.598 4.350 -0.000 0.000 0.254 516 E C -0.091 176.536 176.600 0.044 0.000 1.231 516 E CA -0.594 55.823 56.400 0.029 0.000 0.954 516 E CB 0.627 30.346 29.700 0.031 0.000 1.024 516 E HN 0.414 nan 8.360 nan 0.000 0.481 517 V N 2.252 122.195 119.914 0.047 0.000 2.540 517 V HA -0.107 4.013 4.120 -0.000 0.000 0.297 517 V C 0.385 176.526 176.094 0.078 0.000 1.024 517 V CA 0.020 62.358 62.300 0.064 0.000 1.105 517 V CB -0.076 31.777 31.823 0.051 0.000 0.938 517 V HN 0.361 nan 8.190 nan 0.000 0.482 518 L N 5.246 126.534 121.223 0.108 0.000 2.513 518 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 518 L C 1.164 178.092 176.870 0.097 0.000 1.187 518 L CA 0.617 55.525 54.840 0.114 0.000 0.895 518 L CB 0.238 42.389 42.059 0.154 0.000 1.147 518 L HN 0.634 nan 8.230 nan 0.000 0.483 519 D N 1.190 121.637 120.400 0.078 0.000 2.355 519 D HA 0.067 4.707 4.640 -0.000 0.000 0.206 519 D C 0.194 176.528 176.300 0.057 0.000 1.010 519 D CA 0.707 54.744 54.000 0.062 0.000 0.875 519 D CB 0.716 41.545 40.800 0.050 0.000 0.966 519 D HN 0.440 nan 8.370 nan 0.000 0.512 520 E N 0.477 120.715 120.200 0.063 0.000 2.314 520 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 520 E C -2.517 174.122 176.600 0.065 0.000 0.884 520 E CA -1.885 54.546 56.400 0.051 0.000 0.753 520 E CB 2.615 32.335 29.700 0.034 0.000 1.213 520 E HN -0.064 nan 8.360 nan 0.000 0.432 521 P HA 0.148 nan 4.420 nan 0.000 0.271 521 P C -0.393 176.952 177.300 0.076 0.000 1.218 521 P CA -0.324 62.811 63.100 0.059 0.000 0.780 521 P CB 0.747 32.455 31.700 0.014 0.000 0.901 522 V N 4.392 124.394 119.914 0.148 0.000 2.407 522 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 522 V C 0.662 176.886 176.094 0.218 0.000 1.018 522 V CA -0.623 61.784 62.300 0.178 0.000 0.842 522 V CB 1.151 33.126 31.823 0.253 0.000 0.996 522 V HN 0.456 nan 8.190 nan 0.000 0.426 523 R N 3.331 123.897 120.500 0.111 0.000 2.312 523 R HA 0.715 5.055 4.340 -0.000 0.000 0.311 523 R C -0.760 175.608 176.300 0.114 0.000 1.004 523 R CA -0.469 55.678 56.100 0.079 0.000 0.902 523 R CB 1.880 32.198 30.300 0.029 0.000 1.073 523 R HN 0.637 nan 8.270 nan 0.000 0.457 524 V N -0.997 118.994 119.914 0.127 0.000 2.656 524 V HA 0.700 4.820 4.120 -0.000 0.000 0.307 524 V C -0.468 175.682 176.094 0.094 0.000 1.051 524 V CA -0.696 61.685 62.300 0.135 0.000 0.893 524 V CB 2.036 34.005 31.823 0.243 0.000 0.999 524 V HN 0.687 nan 8.190 nan 0.000 0.426 525 S N 2.408 118.149 115.700 0.069 0.000 2.536 525 S HA 0.851 5.321 4.470 -0.000 0.000 0.246 525 S C -0.139 174.489 174.600 0.045 0.000 1.077 525 S CA 0.640 58.912 58.200 0.120 0.000 1.091 525 S CB 0.482 63.738 63.200 0.093 0.000 1.148 525 S HN 2.412 nan 8.310 nan 0.000 0.447 526 G N 1.970 110.836 108.800 0.110 0.000 2.373 526 G HA2 0.230 4.190 3.960 -0.000 0.000 0.250 526 G HA3 0.230 4.190 3.960 -0.000 0.000 0.250 526 G C -1.841 173.013 174.900 -0.076 0.000 1.304 526 G CA -0.082 44.897 45.100 -0.202 0.000 0.948 526 G HN 1.017 nan 8.290 nan 0.000 0.474 527 V N 2.738 122.549 119.914 -0.171 0.000 2.328 527 V HA 0.515 4.635 4.120 -0.000 0.000 0.278 527 V C -2.051 174.001 176.094 -0.070 0.000 1.021 527 V CA -1.126 61.120 62.300 -0.091 0.000 0.838 527 V CB 1.404 33.152 31.823 -0.125 0.000 0.999 527 V HN 0.533 nan 8.190 nan 0.000 0.447 528 P HA 0.307 nan 4.420 nan 0.000 0.275 528 P C -0.876 176.370 177.300 -0.089 0.000 1.228 528 P CA -0.159 62.914 63.100 -0.045 0.000 0.786 528 P CB 0.972 32.669 31.700 -0.006 0.000 0.927 529 V N 1.988 121.806 119.914 -0.160 0.000 2.531 529 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 529 V C 0.146 175.989 176.094 -0.418 0.000 1.034 529 V CA -1.024 61.099 62.300 -0.295 0.000 0.865 529 V CB 1.552 33.177 31.823 -0.331 0.000 0.995 529 V HN 0.642 nan 8.190 nan 0.000 0.424 530 A N 2.832 125.267 122.820 -0.642 0.000 2.395 530 A HA 0.442 4.762 4.320 -0.000 0.000 0.286 530 A C -0.060 177.116 177.584 -0.680 0.000 1.193 530 A CA -0.030 51.574 52.037 -0.721 0.000 0.852 530 A CB -0.169 18.141 19.000 -1.150 0.000 1.118 530 A HN 0.852 nan 8.150 nan 0.000 0.524 531 D N 2.746 122.923 120.400 -0.371 0.000 2.499 531 D HA 0.405 5.045 4.640 -0.000 0.000 0.225 531 D C -0.856 175.363 176.300 -0.135 0.000 1.124 531 D CA -0.052 53.851 54.000 -0.162 0.000 0.938 531 D CB 0.261 41.079 40.800 0.030 0.000 1.014 531 D HN 0.357 nan 8.370 nan 0.000 0.517 532 L N 3.581 124.676 121.223 -0.214 0.000 2.295 532 L HA 0.559 4.899 4.340 -0.000 0.000 0.285 532 L C -1.416 175.310 176.870 -0.240 0.000 1.035 532 L CA -0.372 54.367 54.840 -0.170 0.000 0.806 532 L CB 0.689 42.621 42.059 -0.212 0.000 1.214 532 L HN 0.138 nan 8.230 nan 0.000 0.426 533 F N 5.342 125.298 119.950 0.011 0.000 2.359 533 F HA 0.728 5.255 4.527 -0.000 0.000 0.369 533 F C 0.315 176.086 175.800 -0.049 0.000 1.084 533 F CA -0.259 57.745 58.000 0.005 0.000 1.096 533 F CB 1.239 40.218 39.000 -0.034 0.000 1.335 533 F HN 0.630 nan 8.300 nan 0.000 0.457 534 A N 2.023 124.844 122.820 0.001 0.000 2.454 534 A HA 0.970 5.290 4.320 -0.000 0.000 0.302 534 A C -1.246 176.334 177.584 -0.006 0.000 1.079 534 A CA -0.662 51.248 52.037 -0.211 0.000 0.731 534 A CB 1.374 19.737 19.000 -1.061 0.000 1.299 534 A HN 0.731 nan 8.150 nan 0.000 0.413 535 A N 0.261 123.131 122.820 0.084 0.000 2.413 535 A HA 0.911 5.231 4.320 -0.000 0.000 0.307 535 A C -0.281 177.489 177.584 0.310 0.000 1.087 535 A CA -0.210 51.947 52.037 0.200 0.000 0.750 535 A CB 1.671 20.751 19.000 0.133 0.000 1.296 535 A HN 1.543 nan 8.150 nan 0.000 0.423 536 T N -0.672 114.060 114.554 0.297 0.000 2.909 536 T HA 0.463 4.813 4.350 -0.000 0.000 0.299 536 T C 1.038 175.813 174.700 0.125 0.000 1.073 536 T CA 0.267 62.500 62.100 0.221 0.000 0.999 536 T CB 1.280 70.289 68.868 0.234 0.000 1.098 536 T HN 1.302 nan 8.240 nan 0.000 0.477 537 S N 2.089 117.832 115.700 0.073 0.000 2.522 537 S HA 0.255 4.725 4.470 -0.000 0.000 0.227 537 S C 1.211 175.841 174.600 0.051 0.000 0.986 537 S CA 0.194 58.426 58.200 0.054 0.000 0.929 537 S CB -0.295 62.927 63.200 0.036 0.000 0.769 537 S HN 0.919 nan 8.310 nan 0.000 0.529 538 G N 1.133 109.965 108.800 0.052 0.000 2.510 538 G HA2 0.432 4.392 3.960 -0.000 0.000 0.280 538 G HA3 0.432 4.392 3.960 -0.000 0.000 0.280 538 G C 0.480 175.422 174.900 0.068 0.000 1.386 538 G CA 0.125 45.254 45.100 0.048 0.000 1.047 538 G HN 0.362 nan 8.290 nan 0.000 0.527 539 T N -2.555 112.044 114.554 0.076 0.000 3.085 539 T HA 0.325 4.675 4.350 -0.000 0.000 0.264 539 T C -0.213 174.572 174.700 0.141 0.000 1.019 539 T CA -0.054 62.103 62.100 0.095 0.000 0.910 539 T CB 0.403 69.333 68.868 0.103 0.000 1.059 539 T HN 0.388 nan 8.240 nan 0.000 0.542 540 D N -0.335 120.136 120.400 0.118 0.000 2.622 540 D HA 0.665 5.305 4.640 -0.000 0.000 0.255 540 D C -1.543 174.760 176.300 0.005 0.000 1.246 540 D CA -0.200 53.868 54.000 0.113 0.000 0.795 540 D CB 2.307 43.175 40.800 0.115 0.000 1.369 540 D HN 0.008 nan 8.370 nan 0.000 0.425 541 S N 0.208 115.864 115.700 -0.072 0.000 2.680 541 S HA 0.313 4.783 4.470 -0.000 0.000 0.284 541 S C -2.099 172.201 174.600 -0.499 0.000 1.055 541 S CA -0.755 57.231 58.200 -0.357 0.000 0.849 541 S CB 1.261 64.095 63.200 -0.610 0.000 1.068 541 S HN 0.372 nan 8.310 nan 0.000 0.453 542 D N 0.675 120.729 120.400 -0.576 0.000 2.181 542 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 542 D C -1.212 174.672 176.300 -0.692 0.000 1.020 542 D CA 0.021 53.761 54.000 -0.432 0.000 0.891 542 D CB 0.826 41.508 40.800 -0.197 0.000 1.187 542 D HN 0.432 nan 8.370 nan 0.000 0.443 543 W N 1.280 122.547 121.300 -0.055 0.000 2.463 543 W HA 0.445 5.105 4.660 -0.000 0.000 0.316 543 W C -0.896 175.581 176.519 -0.071 0.000 1.004 543 W CA -0.907 56.395 57.345 -0.071 0.000 1.309 543 W CB 1.163 30.518 29.460 -0.174 0.000 1.288 543 W HN -0.065 nan 8.180 nan 0.000 0.423 544 V N 4.687 124.626 119.914 0.041 0.000 2.383 544 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 544 V C -0.136 175.928 176.094 -0.050 0.000 1.036 544 V CA -0.851 61.316 62.300 -0.221 0.000 0.889 544 V CB 1.080 32.482 31.823 -0.702 0.000 0.985 544 V HN 0.275 nan 8.190 nan 0.000 0.459 545 V N 5.864 125.808 119.914 0.049 0.000 2.487 545 V HA 0.511 4.631 4.120 -0.000 0.000 0.298 545 V C -0.253 175.901 176.094 0.101 0.000 1.028 545 V CA -0.948 61.412 62.300 0.100 0.000 0.860 545 V CB 1.816 33.727 31.823 0.147 0.000 0.991 545 V HN 0.877 nan 8.190 nan 0.000 0.427 546 K N 4.583 125.036 120.400 0.089 0.000 2.345 546 K HA 0.663 4.983 4.320 -0.000 0.000 0.255 546 K C -1.280 175.394 176.600 0.123 0.000 0.934 546 K CA -0.875 55.497 56.287 0.142 0.000 0.801 546 K CB 2.697 35.296 32.500 0.165 0.000 1.137 546 K HN 0.447 nan 8.250 nan 0.000 0.424 547 L N 4.698 126.006 121.223 0.140 0.000 2.262 547 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 547 L C -1.212 175.772 176.870 0.191 0.000 1.035 547 L CA -0.237 54.685 54.840 0.137 0.000 0.820 547 L CB 0.391 42.532 42.059 0.137 0.000 1.204 547 L HN 0.585 nan 8.230 nan 0.000 0.424 548 I N 4.019 124.706 120.570 0.195 0.000 2.603 548 I HA 0.365 4.535 4.170 -0.000 0.000 0.300 548 I C -0.739 175.591 176.117 0.355 0.000 1.017 548 I CA -0.599 60.841 61.300 0.234 0.000 1.098 548 I CB 1.996 40.100 38.000 0.173 0.000 1.279 548 I HN 0.504 nan 8.210 nan 0.000 0.437 549 D N 5.559 126.194 120.400 0.392 0.000 2.427 549 D HA 0.256 4.896 4.640 -0.000 0.000 0.226 549 D C -0.906 175.632 176.300 0.396 0.000 1.076 549 D CA -0.327 53.995 54.000 0.536 0.000 0.849 549 D CB 1.394 42.447 40.800 0.421 0.000 1.052 549 D HN 0.088 nan 8.370 nan 0.000 0.515 550 V N 5.045 125.162 119.914 0.339 0.000 2.455 550 V HA 0.101 4.221 4.120 -0.000 0.000 0.273 550 V C 0.843 177.040 176.094 0.172 0.000 1.045 550 V CA -0.675 61.757 62.300 0.221 0.000 0.976 550 V CB 0.887 32.793 31.823 0.139 0.000 0.993 550 V HN 0.483 nan 8.190 nan 0.000 0.475 551 Q N 5.366 125.221 119.800 0.093 0.000 2.492 551 Q HA 0.243 4.583 4.340 -0.000 0.000 0.238 551 Q C -2.239 173.608 176.000 -0.255 0.000 1.045 551 Q CA -1.952 53.742 55.803 -0.181 0.000 0.934 551 Q CB -0.165 28.552 28.738 -0.036 0.000 1.276 551 Q HN 0.435 nan 8.270 nan 0.000 0.521 552 P HA -0.085 nan 4.420 nan 0.000 0.264 552 P C 0.074 177.323 177.300 -0.086 0.000 1.179 552 P CA 0.562 63.540 63.100 -0.204 0.000 0.763 552 P CB 0.398 31.997 31.700 -0.168 0.000 0.806 553 A N 3.804 126.598 122.820 -0.042 0.000 1.971 553 A HA -0.168 4.152 4.320 -0.000 0.000 0.222 553 A C 0.952 178.527 177.584 -0.015 0.000 1.182 553 A CA 1.826 53.852 52.037 -0.018 0.000 0.649 553 A CB -0.616 18.379 19.000 -0.009 0.000 0.818 553 A HN 0.496 nan 8.150 nan 0.000 0.458 554 M N -0.286 119.301 119.600 -0.021 0.000 2.327 554 M HA 0.301 4.781 4.480 -0.000 0.000 0.298 554 M C -0.941 175.345 176.300 -0.022 0.000 1.065 554 M CA -0.093 55.198 55.300 -0.015 0.000 0.916 554 M CB 1.778 34.373 32.600 -0.009 0.000 1.630 554 M HN 0.245 nan 8.290 nan 0.000 0.442 555 T N -0.600 113.943 114.554 -0.019 0.000 3.250 555 T HA 0.404 4.754 4.350 -0.000 0.000 0.391 555 T C -1.989 172.702 174.700 -0.015 0.000 1.502 555 T CA -1.391 60.696 62.100 -0.022 0.000 1.320 555 T CB 0.515 69.364 68.868 -0.031 0.000 1.102 555 T HN 0.375 nan 8.240 nan 0.000 0.610 556 P HA -0.072 nan 4.420 nan 0.000 0.219 556 P C 0.530 177.824 177.300 -0.010 0.000 1.146 556 P CA 1.000 64.095 63.100 -0.009 0.000 0.808 556 P CB 0.257 31.954 31.700 -0.005 0.000 0.779 557 D N -0.801 119.592 120.400 -0.012 0.000 2.347 557 D HA -0.026 4.614 4.640 -0.000 0.000 0.215 557 D C 0.301 176.588 176.300 -0.022 0.000 0.976 557 D CA 1.151 55.143 54.000 -0.014 0.000 0.884 557 D CB -0.171 40.622 40.800 -0.011 0.000 0.915 557 D HN 0.187 nan 8.370 nan 0.000 0.526 558 D N -1.455 118.930 120.400 -0.026 0.000 2.752 558 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 558 D C -2.119 174.163 176.300 -0.029 0.000 1.295 558 D CA -1.486 52.493 54.000 -0.035 0.000 0.846 558 D CB 1.097 41.865 40.800 -0.055 0.000 1.454 558 D HN -0.238 nan 8.370 nan 0.000 0.535 559 P HA -0.217 nan 4.420 nan 0.000 0.217 559 P C 1.251 178.552 177.300 0.000 0.000 1.151 559 P CA 1.527 64.621 63.100 -0.009 0.000 0.849 559 P CB 0.095 31.791 31.700 -0.007 0.000 0.787 560 K N -1.240 119.159 120.400 -0.000 0.000 2.360 560 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 560 K C 1.396 178.034 176.600 0.064 0.000 1.046 560 K CA 1.273 57.575 56.287 0.026 0.000 0.945 560 K CB -0.552 31.958 32.500 0.016 0.000 0.750 560 K HN 0.058 nan 8.250 nan 0.000 0.464 561 M N 1.477 121.084 119.600 0.011 0.000 2.561 561 M HA 0.130 4.610 4.480 -0.000 0.000 0.238 561 M C 0.646 176.985 176.300 0.064 0.000 1.131 561 M CA 0.102 55.405 55.300 0.005 0.000 1.046 561 M CB -0.180 32.351 32.600 -0.114 0.000 1.532 561 M HN 0.221 nan 8.290 nan 0.000 0.497 562 G N 0.227 109.053 108.800 0.044 0.000 2.298 562 G HA2 0.342 4.302 3.960 -0.000 0.000 0.263 562 G HA3 0.342 4.302 3.960 -0.000 0.000 0.263 562 G C 1.111 176.041 174.900 0.049 0.000 1.229 562 G CA 0.381 45.497 45.100 0.027 0.000 0.976 562 G HN 0.687 nan 8.290 nan 0.000 0.459 563 G N 1.774 110.596 108.800 0.037 0.000 2.189 563 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 563 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 563 G C 0.500 175.448 174.900 0.081 0.000 0.975 563 G CA 0.661 45.785 45.100 0.039 0.000 0.644 563 G HN 1.084 nan 8.290 nan 0.000 0.537 564 Y N 1.691 121.981 120.300 -0.016 0.000 2.717 564 Y HA 0.319 4.869 4.550 -0.000 0.000 0.330 564 Y C 0.808 176.722 175.900 0.023 0.000 1.217 564 Y CA 0.699 58.796 58.100 -0.004 0.000 1.506 564 Y CB 0.449 38.900 38.460 -0.015 0.000 1.268 564 Y HN 0.333 nan 8.280 nan 0.000 0.561 565 E N 6.780 126.947 120.200 -0.055 0.000 1.998 565 E HA 0.155 4.505 4.350 -0.000 0.000 0.257 565 E C -1.303 175.371 176.600 0.124 0.000 1.038 565 E CA -0.606 55.826 56.400 0.053 0.000 0.869 565 E CB 0.461 30.152 29.700 -0.016 0.000 1.135 565 E HN 0.411 nan 8.360 nan 0.000 0.430 566 L N 5.286 126.711 121.223 0.336 0.000 2.278 566 L HA 0.346 4.686 4.340 -0.000 0.000 0.287 566 L C -2.538 174.471 176.870 0.232 0.000 1.072 566 L CA -2.075 52.965 54.840 0.335 0.000 0.819 566 L CB 0.446 42.686 42.059 0.301 0.000 1.176 566 L HN 0.160 nan 8.230 nan 0.000 0.435 567 P HA 0.108 nan 4.420 nan 0.000 0.287 567 P C 0.535 178.021 177.300 0.311 0.000 1.294 567 P CA -0.306 62.927 63.100 0.221 0.000 0.776 567 P CB 1.249 33.069 31.700 0.200 0.000 0.889 568 V N 0.759 120.803 119.914 0.216 0.000 3.354 568 V HA 0.232 4.352 4.120 -0.000 0.000 0.258 568 V C 0.615 176.731 176.094 0.038 0.000 1.159 568 V CA 0.611 62.984 62.300 0.121 0.000 1.125 568 V CB -0.244 31.455 31.823 -0.207 0.000 0.774 568 V HN 0.569 nan 8.190 nan 0.000 0.464 569 S N 1.177 116.949 115.700 0.120 0.000 2.605 569 S HA 0.729 5.199 4.470 -0.000 0.000 0.279 569 S C -0.979 173.739 174.600 0.196 0.000 1.166 569 S CA -0.634 57.634 58.200 0.114 0.000 0.975 569 S CB 1.128 64.370 63.200 0.071 0.000 1.111 569 S HN 0.693 nan 8.310 nan 0.000 0.465 570 M N 2.657 122.419 119.600 0.269 0.000 2.520 570 M HA 0.794 5.274 4.480 -0.000 0.000 0.280 570 M C -1.898 174.727 176.300 0.542 0.000 1.232 570 M CA -0.681 54.848 55.300 0.382 0.000 0.892 570 M CB 2.186 35.062 32.600 0.459 0.000 1.728 570 M HN 0.483 nan 8.290 nan 0.000 0.475 571 D N 0.768 121.495 120.400 0.545 0.000 2.665 571 D HA 0.662 5.302 4.640 -0.000 0.000 0.287 571 D C -2.017 174.538 176.300 0.425 0.000 1.266 571 D CA -0.379 54.015 54.000 0.656 0.000 0.830 571 D CB 3.088 44.300 40.800 0.686 0.000 1.356 571 D HN 0.863 nan 8.370 nan 0.000 0.437 572 I N 1.143 121.945 120.570 0.386 0.000 2.569 572 I HA 0.610 4.780 4.170 -0.000 0.000 0.296 572 I C -1.522 174.645 176.117 0.083 0.000 1.028 572 I CA -0.913 60.435 61.300 0.079 0.000 1.082 572 I CB 1.472 39.373 38.000 -0.166 0.000 1.264 572 I HN 0.286 nan 8.210 nan 0.000 0.429 573 F N 6.937 126.739 119.950 -0.247 0.000 2.507 573 F HA 0.517 5.044 4.527 -0.000 0.000 0.328 573 F C -0.279 175.478 175.800 -0.071 0.000 1.136 573 F CA -0.774 57.020 58.000 -0.342 0.000 0.930 573 F CB 1.150 39.493 39.000 -1.096 0.000 1.166 573 F HN 0.411 nan 8.300 nan 0.000 0.436 574 R N 4.017 124.379 120.500 -0.230 0.000 2.248 574 R HA 0.276 4.616 4.340 -0.000 0.000 0.337 574 R C 1.354 177.748 176.300 0.157 0.000 1.085 574 R CA 0.609 56.708 56.100 -0.001 0.000 0.934 574 R CB 0.677 31.041 30.300 0.107 0.000 1.034 574 R HN 0.984 nan 8.270 nan 0.000 0.465 575 G N 4.968 113.962 108.800 0.323 0.000 2.503 575 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.221 575 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.221 575 G C 1.239 176.380 174.900 0.401 0.000 1.131 575 G CA 1.029 46.486 45.100 0.594 0.000 0.756 575 G HN 0.785 nan 8.290 nan 0.000 0.572 576 R N -0.561 120.002 120.500 0.105 0.000 2.241 576 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 576 R C 1.188 177.419 176.300 -0.116 0.000 1.101 576 R CA 1.225 57.309 56.100 -0.028 0.000 0.995 576 R CB -0.576 29.674 30.300 -0.084 0.000 0.870 576 R HN 0.504 nan 8.270 nan 0.000 0.463 577 Y N 0.376 120.825 120.300 0.248 0.000 2.524 577 Y HA 0.275 4.825 4.550 -0.000 0.000 0.266 577 Y C 2.280 178.269 175.900 0.147 0.000 1.180 577 Y CA -0.630 57.577 58.100 0.179 0.000 1.244 577 Y CB 0.114 38.730 38.460 0.260 0.000 1.125 577 Y HN -0.015 nan 8.280 nan 0.000 0.524 578 R N 1.315 122.054 120.500 0.398 0.000 2.096 578 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 578 R C 1.565 177.849 176.300 -0.027 0.000 1.139 578 R CA 2.049 58.289 56.100 0.233 0.000 0.952 578 R CB 0.076 30.368 30.300 -0.013 0.000 0.854 578 R HN 0.305 nan 8.270 nan 0.000 0.436 579 K N -1.319 119.058 120.400 -0.039 0.000 2.166 579 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 579 K C -0.001 176.550 176.600 -0.081 0.000 1.052 579 K CA 0.616 56.857 56.287 -0.076 0.000 0.969 579 K CB 0.304 32.770 32.500 -0.055 0.000 0.761 579 K HN 0.073 nan 8.250 nan 0.000 0.459 580 D N -1.330 119.047 120.400 -0.039 0.000 2.970 580 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 580 D C -0.123 176.247 176.300 0.116 0.000 1.276 580 D CA -0.488 53.510 54.000 -0.005 0.000 0.910 580 D CB 0.951 41.789 40.800 0.064 0.000 1.590 580 D HN -0.213 nan 8.370 nan 0.000 0.551 581 F N 1.885 121.971 119.950 0.226 0.000 2.293 581 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 581 F C 2.374 178.174 175.800 0.000 0.000 1.086 581 F CA 1.030 59.094 58.000 0.106 0.000 1.375 581 F CB -0.309 38.644 39.000 -0.079 0.000 1.045 581 F HN 0.499 nan 8.300 nan 0.000 0.516 582 A N -0.849 122.111 122.820 0.233 0.000 2.081 582 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 582 A C 0.811 178.499 177.584 0.173 0.000 1.158 582 A CA 0.521 52.632 52.037 0.123 0.000 0.724 582 A CB -0.199 18.846 19.000 0.075 0.000 0.826 582 A HN 0.153 nan 8.150 nan 0.000 0.463 583 K N 1.029 121.557 120.400 0.214 0.000 2.621 583 K HA 0.329 4.649 4.320 -0.000 0.000 0.233 583 K C -3.047 173.688 176.600 0.226 0.000 0.972 583 K CA -2.070 54.332 56.287 0.192 0.000 0.988 583 K CB 2.135 34.704 32.500 0.114 0.000 1.187 583 K HN 0.113 nan 8.250 nan 0.000 0.471 584 P HA 0.058 nan 4.420 nan 0.000 0.268 584 P C -0.792 176.594 177.300 0.143 0.000 1.205 584 P CA -0.063 63.157 63.100 0.200 0.000 0.771 584 P CB 1.020 32.828 31.700 0.179 0.000 0.858 585 E N 0.314 120.492 120.200 -0.037 0.000 2.340 585 E HA 0.569 4.919 4.350 -0.000 0.000 0.273 585 E C -0.706 175.503 176.600 -0.652 0.000 0.891 585 E CA -1.109 55.081 56.400 -0.352 0.000 0.757 585 E CB 2.199 31.789 29.700 -0.183 0.000 1.231 585 E HN 0.466 nan 8.360 nan 0.000 0.439 586 A N 2.624 124.782 122.820 -1.103 0.000 2.445 586 A HA 0.304 4.624 4.320 -0.000 0.000 0.242 586 A C -0.273 177.152 177.584 -0.265 0.000 1.075 586 A CA -0.108 51.443 52.037 -0.810 0.000 0.777 586 A CB 0.110 18.688 19.000 -0.703 0.000 1.013 586 A HN 0.544 nan 8.150 nan 0.000 0.493 587 L N 1.727 122.908 121.223 -0.071 0.000 2.349 587 L HA 0.221 4.561 4.340 -0.000 0.000 0.275 587 L C 0.947 177.827 176.870 0.018 0.000 1.115 587 L CA -0.204 54.656 54.840 0.033 0.000 0.820 587 L CB 0.818 42.978 42.059 0.168 0.000 1.135 587 L HN 0.840 nan 8.230 nan 0.000 0.445 588 Q N 4.619 124.428 119.800 0.016 0.000 2.271 588 Q HA 0.166 4.506 4.340 -0.000 0.000 0.273 588 Q C -2.225 173.803 176.000 0.047 0.000 1.051 588 Q CA -1.585 54.225 55.803 0.013 0.000 0.901 588 Q CB 0.896 29.635 28.738 0.001 0.000 1.174 588 Q HN 0.271 nan 8.270 nan 0.000 0.385 589 P HA -0.072 nan 4.420 nan 0.000 0.264 589 P C -0.865 176.468 177.300 0.054 0.000 1.193 589 P CA 0.424 63.556 63.100 0.054 0.000 0.763 589 P CB 0.497 32.220 31.700 0.038 0.000 0.810 590 D N -0.714 119.729 120.400 0.071 0.000 3.059 590 D HA -0.206 4.434 4.640 -0.000 0.000 0.213 590 D C 0.116 176.454 176.300 0.062 0.000 1.144 590 D CA 1.507 55.546 54.000 0.066 0.000 0.975 590 D CB -1.219 39.609 40.800 0.046 0.000 1.125 590 D HN 0.527 nan 8.370 nan 0.000 0.412 591 A N 0.551 123.411 122.820 0.066 0.000 2.301 591 A HA 0.501 4.821 4.320 -0.000 0.000 0.298 591 A C 0.553 178.179 177.584 0.070 0.000 1.185 591 A CA -0.087 51.980 52.037 0.050 0.000 0.830 591 A CB 0.804 19.823 19.000 0.032 0.000 1.112 591 A HN -0.003 nan 8.150 nan 0.000 0.508 592 T N 3.932 118.516 114.554 0.050 0.000 2.751 592 T HA 0.396 4.746 4.350 -0.000 0.000 0.290 592 T C -0.034 174.710 174.700 0.073 0.000 0.919 592 T CA 0.616 62.758 62.100 0.069 0.000 1.136 592 T CB -0.646 68.229 68.868 0.011 0.000 0.875 592 T HN 0.411 nan 8.240 nan 0.000 0.532 593 L N 2.838 124.105 121.223 0.073 0.000 2.334 593 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 593 L C 0.535 177.306 176.870 -0.165 0.000 1.013 593 L CA -1.070 53.732 54.840 -0.064 0.000 0.816 593 L CB 1.542 43.493 42.059 -0.180 0.000 1.278 593 L HN 0.640 nan 8.230 nan 0.000 0.431 594 H N 1.920 120.743 119.070 -0.412 0.000 2.723 594 H HA 0.302 4.858 4.556 -0.000 0.000 0.294 594 H C -1.490 173.434 175.328 -0.674 0.000 1.079 594 H CA -0.494 55.176 56.048 -0.630 0.000 1.411 594 H CB 0.538 30.009 29.762 -0.484 0.000 1.439 594 H HN 0.414 nan 8.280 nan 0.000 0.474 595 Y N 3.231 123.274 120.300 -0.428 0.000 2.377 595 Y HA 0.197 4.747 4.550 -0.000 0.000 0.339 595 Y C -0.329 175.301 175.900 -0.450 0.000 1.011 595 Y CA -0.758 57.070 58.100 -0.453 0.000 1.093 595 Y CB 1.486 39.717 38.460 -0.382 0.000 1.201 595 Y HN 0.692 nan 8.280 nan 0.000 0.455 596 H N 4.470 123.316 119.070 -0.373 0.000 3.172 596 H HA 0.494 5.050 4.556 -0.000 0.000 0.322 596 H C -1.753 173.522 175.328 -0.089 0.000 1.003 596 H CA -1.020 54.832 56.048 -0.326 0.000 1.466 596 H CB 0.413 29.931 29.762 -0.407 0.000 1.673 596 H HN 0.505 nan 8.280 nan 0.000 0.512 597 F N 1.225 120.950 119.950 -0.375 0.000 2.608 597 F HA 0.512 5.039 4.527 -0.000 0.000 0.309 597 F C -0.555 175.210 175.800 -0.058 0.000 1.103 597 F CA -1.171 56.724 58.000 -0.175 0.000 0.954 597 F CB 0.885 39.660 39.000 -0.375 0.000 1.267 597 F HN 0.341 nan 8.300 nan 0.000 0.444 598 T N 1.288 116.021 114.554 0.298 0.000 2.913 598 T HA 0.647 4.997 4.350 -0.000 0.000 0.297 598 T C -0.324 174.603 174.700 0.378 0.000 1.029 598 T CA -0.520 61.712 62.100 0.220 0.000 1.104 598 T CB 1.078 70.084 68.868 0.229 0.000 0.964 598 T HN 0.706 nan 8.240 nan 0.000 0.532 599 L N 2.110 123.453 121.223 0.201 0.000 2.313 599 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 599 L C -2.264 174.712 176.870 0.178 0.000 1.010 599 L CA -3.153 51.839 54.840 0.253 0.000 0.814 599 L CB 1.400 43.550 42.059 0.152 0.000 1.304 599 L HN 0.416 nan 8.230 nan 0.000 0.441 600 P HA -0.022 nan 4.420 nan 0.000 0.265 600 P C -0.699 176.614 177.300 0.022 0.000 1.187 600 P CA -0.046 63.108 63.100 0.090 0.000 0.766 600 P CB 0.415 32.164 31.700 0.082 0.000 0.820 601 A N 2.882 125.698 122.820 -0.007 0.000 2.466 601 A HA 0.417 4.737 4.320 -0.000 0.000 0.238 601 A C 0.247 177.801 177.584 -0.049 0.000 1.074 601 A CA 0.111 52.157 52.037 0.017 0.000 0.774 601 A CB -0.253 18.810 19.000 0.106 0.000 1.015 601 A HN 0.480 nan 8.150 nan 0.000 0.498 602 V N -0.815 119.104 119.914 0.008 0.000 2.962 602 V HA 0.849 4.969 4.120 -0.000 0.000 0.313 602 V C -0.652 175.453 176.094 0.018 0.000 1.099 602 V CA -0.814 61.457 62.300 -0.049 0.000 0.971 602 V CB 2.189 34.006 31.823 -0.010 0.000 1.028 602 V HN 0.891 nan 8.190 nan 0.000 0.430 603 N N 0.927 119.597 118.700 -0.050 0.000 2.732 603 N HA 0.402 5.142 4.740 -0.000 0.000 0.235 603 N C -1.219 174.267 175.510 -0.040 0.000 1.466 603 N CA -0.173 52.869 53.050 -0.014 0.000 0.751 603 N CB 0.393 38.833 38.487 -0.078 0.000 1.317 603 N HN 1.117 nan 8.380 nan 0.000 0.525 604 H N -0.474 118.499 119.070 -0.160 0.000 2.855 604 H HA 0.786 5.342 4.556 -0.000 0.000 0.363 604 H C -1.276 173.905 175.328 -0.246 0.000 1.185 604 H CA -0.698 55.194 56.048 -0.260 0.000 1.174 604 H CB 1.703 31.221 29.762 -0.406 0.000 1.857 604 H HN -0.060 nan 8.280 nan 0.000 0.565 605 V N 3.167 122.535 119.914 -0.911 0.000 2.524 605 V HA 0.224 4.344 4.120 -0.000 0.000 0.297 605 V C -0.994 174.671 176.094 -0.714 0.000 1.035 605 V CA -0.641 61.327 62.300 -0.553 0.000 0.867 605 V CB 1.042 32.649 31.823 -0.360 0.000 1.004 605 V HN 0.591 nan 8.190 nan 0.000 0.426 606 F N 3.973 123.828 119.950 -0.159 0.000 2.405 606 F HA 0.616 5.143 4.527 -0.000 0.000 0.358 606 F C 1.078 176.776 175.800 -0.170 0.000 1.151 606 F CA -0.060 57.885 58.000 -0.092 0.000 1.161 606 F CB 0.696 39.755 39.000 0.099 0.000 1.245 606 F HN 0.600 nan 8.300 nan 0.000 0.545 607 A N 4.184 126.824 122.820 -0.300 0.000 2.310 607 A HA 0.342 4.662 4.320 -0.000 0.000 0.260 607 A C 0.411 178.044 177.584 0.082 0.000 1.112 607 A CA -0.749 51.187 52.037 -0.169 0.000 0.804 607 A CB 0.366 19.208 19.000 -0.263 0.000 1.081 607 A HN 0.683 nan 8.150 nan 0.000 0.499 608 K N -0.527 119.943 120.400 0.116 0.000 2.436 608 K HA 0.349 4.669 4.320 -0.000 0.000 0.275 608 K C 1.150 177.892 176.600 0.238 0.000 0.999 608 K CA 1.135 57.512 56.287 0.151 0.000 0.980 608 K CB 0.195 32.752 32.500 0.095 0.000 0.919 608 K HN 1.337 nan 8.250 nan 0.000 0.484 609 G N 1.493 110.404 108.800 0.185 0.000 2.241 609 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 609 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 609 G C 0.183 175.159 174.900 0.126 0.000 0.998 609 G CA -0.185 44.996 45.100 0.134 0.000 0.621 609 G HN 0.749 nan 8.290 nan 0.000 0.519 610 H N 0.159 119.294 119.070 0.109 0.000 2.490 610 H HA 0.693 5.249 4.556 -0.000 0.000 0.354 610 H C 0.542 175.953 175.328 0.138 0.000 1.365 610 H CA -0.102 56.035 56.048 0.149 0.000 1.413 610 H CB 0.798 30.694 29.762 0.222 0.000 1.631 610 H HN 0.225 nan 8.280 nan 0.000 0.607 611 R N 0.174 120.848 120.500 0.291 0.000 2.771 611 R HA 0.426 4.766 4.340 -0.000 0.000 0.274 611 R C -0.881 175.502 176.300 0.139 0.000 0.987 611 R CA -0.787 55.409 56.100 0.160 0.000 0.908 611 R CB 2.097 32.457 30.300 0.100 0.000 1.213 611 R HN 0.416 nan 8.270 nan 0.000 0.468 612 I N 2.637 123.176 120.570 -0.052 0.000 2.359 612 I HA 0.411 4.581 4.170 -0.000 0.000 0.294 612 I C -0.022 176.047 176.117 -0.080 0.000 0.987 612 I CA -0.418 60.740 61.300 -0.237 0.000 1.225 612 I CB 1.639 39.292 38.000 -0.579 0.000 1.366 612 I HN 0.421 nan 8.210 nan 0.000 0.466 613 M N 6.627 126.227 119.600 0.001 0.000 2.530 613 M HA 0.674 5.154 4.480 -0.000 0.000 0.307 613 M C -2.023 174.311 176.300 0.057 0.000 1.161 613 M CA -0.603 54.724 55.300 0.045 0.000 0.903 613 M CB 2.462 35.111 32.600 0.081 0.000 1.711 613 M HN 0.317 nan 8.290 nan 0.000 0.451 614 V N 3.567 123.533 119.914 0.087 0.000 2.577 614 V HA 0.459 4.579 4.120 -0.000 0.000 0.303 614 V C -1.007 175.183 176.094 0.159 0.000 1.042 614 V CA -0.545 61.813 62.300 0.097 0.000 0.872 614 V CB 2.010 33.856 31.823 0.038 0.000 0.998 614 V HN 0.880 nan 8.190 nan 0.000 0.423 615 Q N 4.116 123.985 119.800 0.116 0.000 2.337 615 Q HA 0.722 5.062 4.340 -0.000 0.000 0.266 615 Q C -1.385 174.654 176.000 0.064 0.000 1.023 615 Q CA -0.563 55.294 55.803 0.091 0.000 0.829 615 Q CB 3.042 31.814 28.738 0.056 0.000 1.306 615 Q HN 0.650 nan 8.270 nan 0.000 0.449 616 I N 2.729 123.326 120.570 0.044 0.000 2.498 616 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 616 I C -0.405 175.626 176.117 -0.143 0.000 1.032 616 I CA -0.523 60.801 61.300 0.039 0.000 1.073 616 I CB 1.812 39.922 38.000 0.183 0.000 1.251 616 I HN 0.609 nan 8.210 nan 0.000 0.426 617 Q N 2.937 122.686 119.800 -0.085 0.000 2.693 617 Q HA 0.581 4.921 4.340 -0.000 0.000 0.306 617 Q C -1.079 174.955 176.000 0.057 0.000 0.969 617 Q CA -0.919 54.804 55.803 -0.134 0.000 0.757 617 Q CB 2.024 30.667 28.738 -0.159 0.000 1.494 617 Q HN 0.402 nan 8.270 nan 0.000 0.459 618 S N 0.009 115.760 115.700 0.084 0.000 2.730 618 S HA 0.267 4.737 4.470 -0.000 0.000 0.244 618 S C -0.670 173.908 174.600 -0.038 0.000 1.022 618 S CA 0.233 58.406 58.200 -0.044 0.000 1.014 618 S CB 0.517 63.649 63.200 -0.112 0.000 0.963 618 S HN 0.617 nan 8.310 nan 0.000 0.540 619 S N -0.107 115.608 115.700 0.025 0.000 2.550 619 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 619 S C -2.063 172.702 174.600 0.275 0.000 1.145 619 S CA -0.656 57.626 58.200 0.137 0.000 0.852 619 S CB 1.501 64.784 63.200 0.138 0.000 1.119 619 S HN 0.240 nan 8.310 nan 0.000 0.465 620 W N 2.309 123.743 121.300 0.223 0.000 1.982 620 W HA 0.506 5.166 4.660 -0.000 0.000 0.299 620 W C -1.989 174.686 176.519 0.259 0.000 1.011 620 W CA -1.752 55.752 57.345 0.264 0.000 1.324 620 W CB 0.896 30.515 29.460 0.264 0.000 1.372 620 W HN 0.673 nan 8.180 nan 0.000 0.323 621 F N 4.960 125.087 119.950 0.296 0.000 2.425 621 F HA 0.582 5.109 4.527 -0.000 0.000 0.331 621 F C -1.240 174.696 175.800 0.227 0.000 1.085 621 F CA -2.585 55.478 58.000 0.104 0.000 1.028 621 F CB 1.686 40.681 39.000 -0.008 0.000 1.177 621 F HN -0.072 nan 8.300 nan 0.000 0.487 622 P HA 0.025 nan 4.420 nan 0.000 0.261 622 P C 1.296 177.993 177.300 -1.006 0.000 1.352 622 P CA 0.235 62.484 63.100 -1.419 0.000 0.891 622 P CB 0.262 31.157 31.700 -1.342 0.000 1.383 623 L N -0.036 120.567 121.223 -1.032 0.000 2.012 623 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 623 L C 0.310 176.580 176.870 -0.999 0.000 1.073 623 L CA 1.802 55.927 54.840 -1.192 0.000 0.748 623 L CB -1.228 39.650 42.059 -1.968 0.000 0.891 623 L HN -0.113 nan 8.230 nan 0.000 0.431 624 Y N 0.670 120.709 120.300 -0.434 0.000 2.360 624 Y HA 0.319 4.869 4.550 -0.000 0.000 0.337 624 Y C 0.107 176.006 175.900 -0.002 0.000 1.039 624 Y CA -1.841 56.141 58.100 -0.196 0.000 1.109 624 Y CB 0.498 38.962 38.460 0.005 0.000 1.201 624 Y HN 0.226 nan 8.280 nan 0.000 0.458 625 D N 2.072 122.602 120.400 0.217 0.000 2.400 625 D HA 0.035 4.675 4.640 -0.000 0.000 0.238 625 D C -0.433 176.101 176.300 0.390 0.000 1.157 625 D CA -0.390 53.834 54.000 0.374 0.000 0.889 625 D CB 0.679 41.745 40.800 0.443 0.000 1.199 625 D HN 0.471 nan 8.370 nan 0.000 0.436 626 R N 1.227 121.969 120.500 0.404 0.000 2.442 626 R HA 0.118 4.458 4.340 -0.000 0.000 0.291 626 R C 0.607 177.057 176.300 0.250 0.000 1.069 626 R CA -0.521 55.737 56.100 0.263 0.000 1.022 626 R CB 0.236 30.611 30.300 0.124 0.000 0.976 626 R HN 0.442 nan 8.270 nan 0.000 0.443 627 N N 3.826 122.603 118.700 0.129 0.000 2.470 627 N HA 0.037 4.777 4.740 -0.000 0.000 0.268 627 N C -1.859 173.661 175.510 0.017 0.000 1.136 627 N CA -1.704 51.367 53.050 0.035 0.000 0.961 627 N CB 1.325 39.790 38.487 -0.037 0.000 1.067 627 N HN 0.275 nan 8.380 nan 0.000 0.468 628 P HA -0.088 nan 4.420 nan 0.000 0.225 628 P C -0.253 176.978 177.300 -0.115 0.000 1.148 628 P CA 1.021 63.941 63.100 -0.300 0.000 0.779 628 P CB 0.179 31.553 31.700 -0.543 0.000 0.780 629 Q N -3.220 116.534 119.800 -0.076 0.000 2.460 629 Q HA -0.208 4.132 4.340 -0.000 0.000 0.248 629 Q C 0.212 176.204 176.000 -0.014 0.000 0.847 629 Q CA 0.851 56.629 55.803 -0.043 0.000 1.214 629 Q CB -1.688 27.028 28.738 -0.036 0.000 1.523 629 Q HN 0.327 nan 8.270 nan 0.000 0.602 630 K N 0.487 120.868 120.400 -0.032 0.000 2.482 630 K HA 0.378 4.698 4.320 -0.000 0.000 0.251 630 K C -1.341 175.272 176.600 0.021 0.000 0.936 630 K CA -0.727 55.564 56.287 0.007 0.000 0.791 630 K CB 1.074 33.557 32.500 -0.029 0.000 1.213 630 K HN -0.011 nan 8.250 nan 0.000 0.428 631 F N 5.551 125.469 119.950 -0.052 0.000 2.519 631 F HA 0.108 4.635 4.527 -0.000 0.000 0.375 631 F C -0.121 175.646 175.800 -0.054 0.000 1.084 631 F CA 0.070 58.037 58.000 -0.055 0.000 1.147 631 F CB 0.330 39.308 39.000 -0.037 0.000 1.088 631 F HN 0.196 nan 8.300 nan 0.000 0.555 632 V N 4.992 124.557 119.914 -0.582 0.000 2.815 632 V HA 0.529 4.649 4.120 -0.000 0.000 0.314 632 V C -2.133 173.557 176.094 -0.673 0.000 1.064 632 V CA -1.953 60.080 62.300 -0.445 0.000 0.952 632 V CB 1.472 33.135 31.823 -0.267 0.000 1.020 632 V HN 0.506 nan 8.190 nan 0.000 0.439 633 P HA -0.064 nan 4.420 nan 0.000 0.215 633 P C 0.157 177.312 177.300 -0.241 0.000 1.153 633 P CA 1.456 64.390 63.100 -0.276 0.000 0.853 633 P CB 0.112 31.746 31.700 -0.110 0.000 0.788 634 N N -1.167 117.421 118.700 -0.187 0.000 2.533 634 N HA 0.171 4.911 4.740 -0.000 0.000 0.289 634 N C 0.552 176.003 175.510 -0.097 0.000 1.103 634 N CA -0.369 52.606 53.050 -0.124 0.000 0.877 634 N CB 0.729 39.170 38.487 -0.076 0.000 1.419 634 N HN -0.200 nan 8.380 nan 0.000 0.517 635 I N 2.228 122.703 120.570 -0.157 0.000 2.423 635 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 635 I C 1.436 177.573 176.117 0.033 0.000 1.151 635 I CA 1.092 62.320 61.300 -0.119 0.000 1.421 635 I CB -0.157 37.755 38.000 -0.147 0.000 1.079 635 I HN 0.485 nan 8.210 nan 0.000 0.431 636 F N 1.001 121.027 119.950 0.126 0.000 2.161 636 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 636 F C 1.509 177.464 175.800 0.258 0.000 1.089 636 F CA 0.856 58.996 58.000 0.234 0.000 1.282 636 F CB -0.061 39.091 39.000 0.253 0.000 1.010 636 F HN 0.145 nan 8.300 nan 0.000 0.485 637 D N 0.437 121.047 120.400 0.350 0.000 2.491 637 D HA 0.198 4.838 4.640 -0.000 0.000 0.228 637 D C 0.437 176.829 176.300 0.154 0.000 1.183 637 D CA 0.115 54.272 54.000 0.262 0.000 0.827 637 D CB -0.161 40.778 40.800 0.231 0.000 0.989 637 D HN 0.018 nan 8.370 nan 0.000 0.494 638 A N 0.971 123.869 122.820 0.130 0.000 2.511 638 A HA 0.122 4.442 4.320 -0.000 0.000 0.242 638 A C 0.671 178.334 177.584 0.132 0.000 1.069 638 A CA 0.199 52.247 52.037 0.017 0.000 0.763 638 A CB 0.566 19.459 19.000 -0.178 0.000 1.001 638 A HN -0.003 nan 8.150 nan 0.000 0.498 639 K N 2.687 123.133 120.400 0.077 0.000 2.095 639 K HA 0.334 4.654 4.320 -0.000 0.000 0.252 639 K C -1.876 174.866 176.600 0.236 0.000 0.977 639 K CA -1.808 54.564 56.287 0.141 0.000 0.900 639 K CB 0.739 33.287 32.500 0.079 0.000 1.060 639 K HN 0.306 nan 8.250 nan 0.000 0.449 640 P HA -0.249 nan 4.420 nan 0.000 0.216 640 P C 0.690 178.131 177.300 0.234 0.000 1.154 640 P CA 1.452 64.696 63.100 0.240 0.000 0.865 640 P CB 0.120 31.890 31.700 0.118 0.000 0.789 641 A N -0.855 122.048 122.820 0.139 0.000 2.168 641 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 641 A C 1.765 179.392 177.584 0.072 0.000 1.152 641 A CA 1.330 53.424 52.037 0.096 0.000 0.716 641 A CB -0.959 18.077 19.000 0.060 0.000 0.794 641 A HN 0.081 nan 8.150 nan 0.000 0.465 642 D N -1.015 119.407 120.400 0.036 0.000 2.183 642 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 642 D C -0.245 175.962 176.300 -0.155 0.000 0.969 642 D CA 0.633 54.573 54.000 -0.101 0.000 0.842 642 D CB -0.273 40.391 40.800 -0.227 0.000 0.957 642 D HN 0.546 nan 8.370 nan 0.000 0.484 643 Y N 1.261 121.567 120.300 0.010 0.000 2.650 643 Y HA 0.119 4.669 4.550 -0.000 0.000 0.342 643 Y C 0.721 176.622 175.900 0.002 0.000 1.110 643 Y CA 0.239 58.338 58.100 -0.000 0.000 1.438 643 Y CB 0.254 38.707 38.460 -0.012 0.000 1.181 643 Y HN -0.339 nan 8.280 nan 0.000 0.526 644 T N 3.239 117.847 114.554 0.091 0.000 2.841 644 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 644 T C -0.357 174.378 174.700 0.060 0.000 1.000 644 T CA -0.851 61.287 62.100 0.063 0.000 0.977 644 T CB 1.351 70.237 68.868 0.029 0.000 0.979 644 T HN 0.215 nan 8.240 nan 0.000 0.446 645 V N 2.534 122.484 119.914 0.059 0.000 2.572 645 V HA 0.596 4.716 4.120 -0.000 0.000 0.291 645 V C 0.458 176.572 176.094 0.034 0.000 1.039 645 V CA -0.182 62.151 62.300 0.054 0.000 1.055 645 V CB 0.532 32.392 31.823 0.061 0.000 0.969 645 V HN 1.125 nan 8.190 nan 0.000 0.482 646 A N 3.653 126.484 122.820 0.018 0.000 2.475 646 A HA 0.754 5.074 4.320 -0.000 0.000 0.301 646 A C -0.266 177.304 177.584 -0.023 0.000 1.059 646 A CA -0.582 51.455 52.037 -0.000 0.000 0.710 646 A CB 1.770 20.761 19.000 -0.014 0.000 1.288 646 A HN 0.647 nan 8.150 nan 0.000 0.408 647 T N 3.209 117.752 114.554 -0.019 0.000 2.733 647 T HA 0.425 4.775 4.350 -0.000 0.000 0.294 647 T C -0.445 174.210 174.700 -0.076 0.000 0.956 647 T CA -0.232 61.842 62.100 -0.044 0.000 0.987 647 T CB 0.496 69.363 68.868 -0.003 0.000 0.920 647 T HN 0.565 nan 8.240 nan 0.000 0.470 648 Q N 2.113 121.770 119.800 -0.238 0.000 2.256 648 Q HA 0.557 4.897 4.340 -0.000 0.000 0.257 648 Q C -0.685 175.226 176.000 -0.149 0.000 0.936 648 Q CA -0.580 55.086 55.803 -0.229 0.000 0.903 648 Q CB 1.882 30.231 28.738 -0.649 0.000 1.263 648 Q HN 0.498 nan 8.270 nan 0.000 0.440 649 S N 2.522 118.253 115.700 0.052 0.000 2.605 649 S HA 0.531 5.001 4.470 -0.000 0.000 0.308 649 S C -0.237 174.436 174.600 0.121 0.000 1.113 649 S CA -0.694 57.559 58.200 0.089 0.000 1.049 649 S CB 0.896 64.145 63.200 0.081 0.000 1.001 649 S HN 0.379 nan 8.310 nan 0.000 0.480 650 I N 3.166 123.839 120.570 0.173 0.000 2.312 650 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 650 I C 0.306 176.504 176.117 0.135 0.000 1.008 650 I CA -0.398 60.999 61.300 0.162 0.000 1.226 650 I CB 0.542 38.686 38.000 0.241 0.000 1.371 650 I HN 0.719 nan 8.210 nan 0.000 0.468 651 H N 6.826 125.914 119.070 0.030 0.000 2.525 651 H HA 0.390 4.946 4.556 -0.000 0.000 0.339 651 H C -0.282 175.020 175.328 -0.043 0.000 1.109 651 H CA 0.071 56.079 56.048 -0.067 0.000 1.352 651 H CB 0.660 30.379 29.762 -0.071 0.000 1.461 651 H HN 0.639 nan 8.280 nan 0.000 0.533 652 H N 2.200 121.133 119.070 -0.228 0.000 2.806 652 H HA 0.530 5.086 4.556 -0.000 0.000 0.367 652 H C 0.061 175.284 175.328 -0.175 0.000 1.136 652 H CA -0.800 55.166 56.048 -0.136 0.000 1.178 652 H CB 1.257 30.919 29.762 -0.167 0.000 1.718 652 H HN 1.034 nan 8.280 nan 0.000 0.540 653 G N 0.378 109.164 108.800 -0.024 0.000 2.795 653 G HA2 0.259 4.219 3.960 -0.000 0.000 0.664 653 G HA3 0.259 4.219 3.960 -0.000 0.000 0.664 653 G C 0.439 175.254 174.900 -0.141 0.000 1.381 653 G CA 0.588 45.555 45.100 -0.222 0.000 0.853 653 G HN 1.963 nan 8.290 nan 0.000 0.545 654 G N -0.313 108.378 108.800 -0.182 0.000 2.552 654 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.265 654 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.265 654 G C 0.902 175.822 174.900 0.032 0.000 1.234 654 G CA 1.083 46.177 45.100 -0.010 0.000 0.944 654 G HN 1.558 nan 8.290 nan 0.000 0.568 655 K N 0.969 121.301 120.400 -0.113 0.000 2.459 655 K HA 0.162 4.482 4.320 -0.000 0.000 0.193 655 K C 1.067 177.352 176.600 -0.524 0.000 1.030 655 K CA 1.155 57.311 56.287 -0.218 0.000 1.026 655 K CB 0.142 32.527 32.500 -0.193 0.000 0.809 655 K HN 0.508 nan 8.250 nan 0.000 0.504 656 E N 0.476 120.274 120.200 -0.671 0.000 3.388 656 E HA 0.188 4.538 4.350 -0.000 0.000 0.214 656 E C -1.219 174.905 176.600 -0.794 0.000 1.040 656 E CA -0.371 55.175 56.400 -1.424 0.000 1.327 656 E CB 1.316 30.329 29.700 -1.146 0.000 1.243 656 E HN 0.120 nan 8.360 nan 0.000 0.444 657 A N 1.423 124.007 122.820 -0.393 0.000 2.544 657 A HA 0.167 4.487 4.320 -0.000 0.000 0.301 657 A C 0.499 178.257 177.584 0.290 0.000 1.368 657 A CA -0.143 51.931 52.037 0.063 0.000 1.045 657 A CB -0.211 18.906 19.000 0.194 0.000 1.129 657 A HN 0.107 nan 8.150 nan 0.000 0.540 658 T N 2.565 117.298 114.554 0.298 0.000 2.928 658 T HA 0.403 4.753 4.350 -0.000 0.000 0.305 658 T C 0.678 175.436 174.700 0.097 0.000 1.035 658 T CA 1.059 63.322 62.100 0.271 0.000 1.145 658 T CB 0.157 69.109 68.868 0.139 0.000 0.963 658 T HN 1.258 nan 8.240 nan 0.000 0.545 659 S N 2.276 117.971 115.700 -0.009 0.000 2.636 659 S HA 0.624 5.094 4.470 -0.000 0.000 0.268 659 S C -1.651 172.831 174.600 -0.198 0.000 1.159 659 S CA -1.095 57.002 58.200 -0.170 0.000 0.815 659 S CB 1.159 64.130 63.200 -0.381 0.000 1.130 659 S HN 0.404 nan 8.310 nan 0.000 0.471 660 I N 2.156 122.589 120.570 -0.230 0.000 2.330 660 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 660 I C -0.460 175.547 176.117 -0.184 0.000 1.001 660 I CA -0.713 60.467 61.300 -0.199 0.000 1.193 660 I CB 1.135 39.040 38.000 -0.157 0.000 1.345 660 I HN 0.666 nan 8.210 nan 0.000 0.461 661 L N 7.064 128.186 121.223 -0.168 0.000 2.454 661 L HA 0.241 4.581 4.340 -0.000 0.000 0.284 661 L C 0.137 176.963 176.870 -0.074 0.000 1.139 661 L CA -0.058 54.711 54.840 -0.118 0.000 0.911 661 L CB -0.158 41.841 42.059 -0.099 0.000 1.262 661 L HN 0.342 nan 8.230 nan 0.000 0.453 662 L N 6.391 127.598 121.223 -0.027 0.000 2.326 662 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 662 L C -1.671 175.212 176.870 0.022 0.000 1.092 662 L CA -1.684 53.173 54.840 0.029 0.000 0.810 662 L CB 1.319 43.444 42.059 0.109 0.000 1.153 662 L HN 0.346 nan 8.230 nan 0.000 0.439 663 P HA 0.074 nan 4.420 nan 0.000 0.220 663 P C -0.288 177.013 177.300 0.002 0.000 1.806 663 P CA -0.131 62.953 63.100 -0.027 0.000 0.976 663 P CB 0.019 31.681 31.700 -0.063 0.000 1.952 664 V N 2.823 122.746 119.914 0.016 0.000 2.521 664 V HA 0.091 4.211 4.120 -0.000 0.000 0.286 664 V C 1.152 177.232 176.094 -0.024 0.000 1.034 664 V CA 0.194 62.501 62.300 0.011 0.000 1.045 664 V CB 1.016 32.821 31.823 -0.030 0.000 0.974 664 V HN 0.269 nan 8.190 nan 0.000 0.480 665 V N 3.009 122.917 119.914 -0.011 0.000 3.155 665 V HA 0.737 4.857 4.120 -0.000 0.000 0.313 665 V C -0.373 175.715 176.094 -0.011 0.000 1.162 665 V CA -1.258 61.031 62.300 -0.018 0.000 1.048 665 V CB 1.986 33.802 31.823 -0.012 0.000 1.092 665 V HN 0.688 nan 8.190 nan 0.000 0.447 666 K N 0.000 120.396 120.400 -0.006 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 666 K CB 0.000 32.495 32.500 -0.007 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543