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 1l7e_1_C DATA FIRST_RESID 801 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIX XXXXXXXXXX XXXXXXXXXX XXXXXKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPAL 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 801 M HA 0.000 nan 4.480 nan 0.000 0.227 801 M C 0.000 176.348 176.300 0.080 0.000 1.140 801 M CA 0.000 55.237 55.300 -0.105 0.000 0.988 801 M CB 0.000 32.556 32.600 -0.074 0.000 1.302 802 K N 1.604 122.086 120.400 0.138 0.000 2.307 802 K HA 0.759 5.087 4.320 0.013 0.000 0.263 802 K C -1.962 174.707 176.600 0.114 0.000 0.973 802 K CA -0.448 55.916 56.287 0.128 0.000 0.846 802 K CB 1.497 34.030 32.500 0.055 0.000 1.100 802 K HN 0.657 nan 8.250 nan 0.000 0.438 803 I N 3.445 124.029 120.570 0.024 0.000 2.378 803 I HA 0.514 4.692 4.170 0.013 0.000 0.291 803 I C -1.195 174.809 176.117 -0.189 0.000 0.992 803 I CA -0.423 60.745 61.300 -0.221 0.000 1.154 803 I CB 1.505 39.086 38.000 -0.699 0.000 1.315 803 I HN 0.801 nan 8.210 nan 0.000 0.448 804 A N 7.580 130.317 122.820 -0.138 0.000 2.365 804 A HA 0.842 5.170 4.320 0.013 0.000 0.318 804 A C -1.275 176.289 177.584 -0.033 0.000 1.091 804 A CA -0.473 51.522 52.037 -0.069 0.000 0.763 804 A CB 1.176 20.165 19.000 -0.018 0.000 1.248 804 A HN 0.571 nan 8.150 nan 0.000 0.442 805 I N 3.541 124.109 120.570 -0.002 0.000 2.439 805 I HA 0.452 4.629 4.170 0.013 0.000 0.285 805 I C -2.313 173.831 176.117 0.044 0.000 1.021 805 I CA -1.524 59.812 61.300 0.061 0.000 1.091 805 I CB 2.216 40.269 38.000 0.089 0.000 1.242 805 I HN 0.467 nan 8.210 nan 0.000 0.439 806 P HA 0.316 nan 4.420 nan 0.000 0.289 806 P C -1.046 176.267 177.300 0.021 0.000 1.300 806 P CA -0.973 62.145 63.100 0.029 0.000 0.828 806 P CB 1.395 33.113 31.700 0.029 0.000 1.235 807 K N 0.742 121.148 120.400 0.010 0.000 2.298 807 K HA 0.087 4.415 4.320 0.013 0.000 0.280 807 K C 0.135 176.730 176.600 -0.008 0.000 1.032 807 K CA -0.215 56.071 56.287 -0.001 0.000 0.958 807 K CB 0.257 32.754 32.500 -0.004 0.000 0.978 807 K HN 0.282 nan 8.250 nan 0.000 0.472 808 E N 4.063 124.250 120.200 -0.023 0.000 2.299 808 E HA -0.003 4.354 4.350 0.013 0.000 0.272 808 E C 0.503 177.085 176.600 -0.030 0.000 1.043 808 E CA 0.179 56.558 56.400 -0.034 0.000 0.895 808 E CB 0.991 30.652 29.700 -0.065 0.000 1.011 808 E HN 0.546 nan 8.360 nan 0.000 0.432 809 R N 2.264 122.750 120.500 -0.023 0.000 2.189 809 R HA 0.078 4.426 4.340 0.013 0.000 0.203 809 R C 0.484 176.769 176.300 -0.025 0.000 1.012 809 R CA 0.110 56.198 56.100 -0.020 0.000 1.015 809 R CB 0.284 30.577 30.300 -0.012 0.000 0.938 809 R HN 0.325 nan 8.270 nan 0.000 0.472 810 R N 2.450 122.931 120.500 -0.031 0.000 2.623 810 R HA 0.060 4.408 4.340 0.013 0.000 0.271 810 R C -2.077 174.201 176.300 -0.037 0.000 1.043 810 R CA -1.262 54.818 56.100 -0.034 0.000 1.083 810 R CB -0.166 30.109 30.300 -0.042 0.000 0.974 810 R HN 0.050 nan 8.270 nan 0.000 0.436 811 P HA -0.144 nan 4.420 nan 0.000 0.261 811 P C 0.560 177.837 177.300 -0.038 0.000 1.173 811 P CA 0.938 64.020 63.100 -0.031 0.000 0.760 811 P CB 0.555 32.241 31.700 -0.024 0.000 0.783 812 G N 1.875 110.652 108.800 -0.038 0.000 2.212 812 G HA2 -0.279 3.689 3.960 0.013 0.000 0.266 812 G HA3 -0.279 3.689 3.960 0.013 0.000 0.266 812 G C 0.209 175.075 174.900 -0.056 0.000 0.978 812 G CA 0.381 45.454 45.100 -0.044 0.000 0.632 812 G HN 0.687 nan 8.290 nan 0.000 0.537 813 E N 1.322 121.485 120.200 -0.061 0.000 2.129 813 E HA 0.488 4.846 4.350 0.013 0.000 0.283 813 E C 0.480 177.037 176.600 -0.071 0.000 1.080 813 E CA -0.320 56.034 56.400 -0.078 0.000 0.867 813 E CB 0.486 30.133 29.700 -0.089 0.000 1.056 813 E HN 0.213 nan 8.360 nan 0.000 0.404 814 D N 3.677 124.032 120.400 -0.075 0.000 2.433 814 D HA 0.089 4.737 4.640 0.013 0.000 0.211 814 D C 0.070 176.327 176.300 -0.072 0.000 1.114 814 D CA 0.008 53.969 54.000 -0.064 0.000 0.837 814 D CB 0.377 41.144 40.800 -0.056 0.000 0.984 814 D HN 0.296 nan 8.370 nan 0.000 0.505 815 R N 0.240 120.678 120.500 -0.103 0.000 2.583 815 R HA 0.544 4.892 4.340 0.013 0.000 0.268 815 R C -0.348 175.877 176.300 -0.125 0.000 1.101 815 R CA -0.438 55.586 56.100 -0.127 0.000 1.180 815 R CB 1.757 31.930 30.300 -0.212 0.000 1.128 815 R HN -0.157 nan 8.270 nan 0.000 0.568 816 V N -0.187 119.661 119.914 -0.109 0.000 2.971 816 V HA 0.508 4.636 4.120 0.013 0.000 0.309 816 V C -1.013 175.066 176.094 -0.026 0.000 1.130 816 V CA -0.536 61.729 62.300 -0.059 0.000 0.964 816 V CB 2.119 33.937 31.823 -0.008 0.000 1.029 816 V HN 0.875 nan 8.190 nan 0.000 0.427 817 A N 5.892 128.743 122.820 0.052 0.000 3.117 817 A HA 0.704 5.032 4.320 0.013 0.000 0.255 817 A C -0.313 177.464 177.584 0.321 0.000 1.583 817 A CA 0.156 52.327 52.037 0.223 0.000 1.234 817 A CB -0.929 18.262 19.000 0.317 0.000 1.076 817 A HN 1.053 nan 8.150 nan 0.000 0.653 818 I N -0.970 119.731 120.570 0.219 0.000 2.961 818 I HA 0.530 4.708 4.170 0.013 0.000 0.303 818 I C -0.812 175.385 176.117 0.132 0.000 1.505 818 I CA 0.350 61.777 61.300 0.211 0.000 0.964 818 I CB 2.124 40.217 38.000 0.154 0.000 1.348 818 I HN 0.324 nan 8.210 nan 0.000 0.508 819 S N 3.568 119.338 115.700 0.116 0.000 2.547 819 S HA 0.657 5.135 4.470 0.013 0.000 0.270 819 S C -2.792 171.845 174.600 0.062 0.000 1.150 819 S CA -0.937 57.309 58.200 0.077 0.000 0.850 819 S CB 1.937 65.182 63.200 0.075 0.000 1.118 819 S HN 0.372 nan 8.310 nan 0.000 0.461 820 P HA -0.072 nan 4.420 nan 0.000 0.216 820 P C 1.360 178.682 177.300 0.037 0.000 1.150 820 P CA 1.282 64.401 63.100 0.033 0.000 0.837 820 P CB 0.119 31.834 31.700 0.024 0.000 0.786 821 E N -0.339 119.885 120.200 0.040 0.000 2.077 821 E HA -0.150 4.207 4.350 0.013 0.000 0.193 821 E C 1.745 178.377 176.600 0.054 0.000 0.989 821 E CA 1.211 57.636 56.400 0.041 0.000 0.800 821 E CB -0.321 29.403 29.700 0.039 0.000 0.746 821 E HN -0.036 nan 8.360 nan 0.000 0.452 822 V N 0.359 120.318 119.914 0.075 0.000 2.453 822 V HA -0.192 3.935 4.120 0.013 0.000 0.247 822 V C 2.378 178.517 176.094 0.075 0.000 1.048 822 V CA 1.104 63.467 62.300 0.106 0.000 1.049 822 V CB -0.005 31.926 31.823 0.179 0.000 0.672 822 V HN 0.203 nan 8.190 nan 0.000 0.457 823 V N -0.022 119.923 119.914 0.051 0.000 2.332 823 V HA -0.323 3.805 4.120 0.013 0.000 0.248 823 V C 2.464 178.568 176.094 0.017 0.000 1.055 823 V CA 2.131 64.438 62.300 0.012 0.000 1.038 823 V CB -0.705 31.125 31.823 0.011 0.000 0.651 823 V HN 0.552 nan 8.190 nan 0.000 0.450 824 K N -0.176 120.242 120.400 0.030 0.000 2.009 824 K HA -0.180 4.148 4.320 0.013 0.000 0.210 824 K C 2.287 178.912 176.600 0.041 0.000 1.049 824 K CA 1.338 57.643 56.287 0.031 0.000 0.929 824 K CB -0.260 32.257 32.500 0.029 0.000 0.714 824 K HN 0.352 nan 8.250 nan 0.000 0.440 825 K N 0.989 121.419 120.400 0.050 0.000 2.063 825 K HA -0.136 4.192 4.320 0.013 0.000 0.208 825 K C 2.235 178.883 176.600 0.079 0.000 1.048 825 K CA 1.175 57.499 56.287 0.063 0.000 0.928 825 K CB -0.351 32.193 32.500 0.074 0.000 0.713 825 K HN 0.177 nan 8.250 nan 0.000 0.442 826 L N 0.681 121.938 121.223 0.056 0.000 2.017 826 L HA -0.173 4.175 4.340 0.013 0.000 0.208 826 L C 2.469 179.431 176.870 0.154 0.000 1.073 826 L CA 0.863 55.737 54.840 0.056 0.000 0.745 826 L CB -0.588 41.379 42.059 -0.154 0.000 0.894 826 L HN -0.107 nan 8.230 nan 0.000 0.432 827 V N 0.195 120.161 119.914 0.086 0.000 2.469 827 V HA -0.221 3.907 4.120 0.013 0.000 0.251 827 V C 2.570 178.707 176.094 0.071 0.000 1.064 827 V CA 1.880 64.228 62.300 0.082 0.000 1.066 827 V CB -1.377 30.472 31.823 0.043 0.000 0.667 827 V HN 0.601 nan 8.190 nan 0.000 0.461 828 G N -0.259 108.581 108.800 0.067 0.000 2.448 828 G HA2 -0.160 3.808 3.960 0.013 0.000 0.219 828 G HA3 -0.160 3.808 3.960 0.013 0.000 0.219 828 G C 1.409 176.341 174.900 0.053 0.000 1.127 828 G CA 0.468 45.598 45.100 0.050 0.000 0.766 828 G HN 0.525 nan 8.290 nan 0.000 0.552 829 L N 0.127 121.412 121.223 0.103 0.000 2.591 829 L HA 0.279 4.627 4.340 0.013 0.000 0.228 829 L C 1.924 178.777 176.870 -0.028 0.000 1.133 829 L CA 0.457 55.351 54.840 0.091 0.000 0.880 829 L CB 0.132 42.337 42.059 0.244 0.000 1.033 829 L HN 0.357 nan 8.230 nan 0.000 0.450 830 G N -0.655 108.131 108.800 -0.023 0.000 2.144 830 G HA2 -0.270 3.698 3.960 0.013 0.000 0.218 830 G HA3 -0.270 3.698 3.960 0.013 0.000 0.218 830 G C 0.070 174.866 174.900 -0.175 0.000 0.988 830 G CA -0.590 44.441 45.100 -0.115 0.000 0.659 830 G HN 0.153 nan 8.290 nan 0.000 0.522 831 F N 0.978 120.900 119.950 -0.047 0.000 2.371 831 F HA 0.514 5.049 4.527 0.013 0.000 0.329 831 F C 0.949 176.711 175.800 -0.063 0.000 1.107 831 F CA -0.212 57.747 58.000 -0.067 0.000 1.137 831 F CB 1.085 40.019 39.000 -0.109 0.000 1.214 831 F HN 0.120 nan 8.300 nan 0.000 0.536 832 E N 2.545 122.849 120.200 0.173 0.000 2.046 832 E HA 0.366 4.724 4.350 0.013 0.000 0.279 832 E C -1.612 175.025 176.600 0.062 0.000 0.989 832 E CA -0.466 55.980 56.400 0.078 0.000 0.798 832 E CB 0.881 30.609 29.700 0.048 0.000 1.086 832 E HN 0.386 nan 8.360 nan 0.000 0.399 833 V N 7.152 127.075 119.914 0.016 0.000 2.348 833 V HA 0.297 4.425 4.120 0.013 0.000 0.270 833 V C 0.204 176.276 176.094 -0.037 0.000 1.037 833 V CA -0.434 61.836 62.300 -0.050 0.000 0.872 833 V CB 0.704 32.483 31.823 -0.073 0.000 1.002 833 V HN 0.680 nan 8.190 nan 0.000 0.464 834 I N 5.678 126.221 120.570 -0.046 0.000 2.362 834 I HA 0.488 4.666 4.170 0.013 0.000 0.289 834 I C -0.612 175.490 176.117 -0.025 0.000 0.994 834 I CA -0.653 60.632 61.300 -0.025 0.000 1.158 834 I CB 1.974 39.965 38.000 -0.014 0.000 1.315 834 I HN 0.272 nan 8.210 nan 0.000 0.451 835 V N 5.595 125.502 119.914 -0.012 0.000 2.495 835 V HA 0.232 4.360 4.120 0.013 0.000 0.298 835 V C 0.195 176.290 176.094 0.003 0.000 1.031 835 V CA -0.806 61.493 62.300 -0.002 0.000 0.871 835 V CB 1.926 33.751 31.823 0.004 0.000 0.988 835 V HN 0.756 nan 8.190 nan 0.000 0.432 836 E N 4.099 124.304 120.200 0.007 0.000 2.376 836 E HA 0.113 4.470 4.350 0.013 0.000 0.266 836 E C 0.272 176.874 176.600 0.005 0.000 1.009 836 E CA -0.461 55.943 56.400 0.006 0.000 0.902 836 E CB 0.681 30.386 29.700 0.008 0.000 0.972 836 E HN 0.779 nan 8.360 nan 0.000 0.439 837 Q N 3.273 123.075 119.800 0.003 0.000 2.315 837 Q HA 0.104 4.451 4.340 0.013 0.000 0.289 837 Q C 0.770 176.771 176.000 0.001 0.000 1.044 837 Q CA 0.380 56.185 55.803 0.002 0.000 0.920 837 Q CB 0.588 29.327 28.738 0.002 0.000 1.214 837 Q HN 0.857 nan 8.270 nan 0.000 0.392 838 G N 1.921 110.722 108.800 0.001 0.000 2.184 838 G HA2 -0.377 3.591 3.960 0.013 0.000 0.264 838 G HA3 -0.377 3.591 3.960 0.013 0.000 0.264 838 G C 0.796 175.694 174.900 -0.003 0.000 0.975 838 G CA 0.397 45.496 45.100 -0.002 0.000 0.642 838 G HN 1.183 nan 8.290 nan 0.000 0.536 839 A N 0.016 122.837 122.820 0.000 0.000 2.019 839 A HA 0.401 4.728 4.320 0.013 0.000 0.219 839 A C 2.425 180.007 177.584 -0.004 0.000 1.164 839 A CA 2.208 54.245 52.037 -0.000 0.000 0.644 839 A CB -0.381 18.624 19.000 0.008 0.000 0.805 839 A HN 1.611 nan 8.150 nan 0.000 0.449 840 G N -0.687 108.113 108.800 -0.000 0.000 3.233 840 G HA2 0.270 4.237 3.960 0.013 0.000 0.234 840 G HA3 0.270 4.237 3.960 0.013 0.000 0.234 840 G C 1.226 176.122 174.900 -0.006 0.000 1.137 840 G CA 0.746 45.846 45.100 -0.001 0.000 0.763 840 G HN 0.651 nan 8.290 nan 0.000 0.549 841 V N -0.627 119.282 119.914 -0.008 0.000 2.287 841 V HA -0.063 4.065 4.120 0.013 0.000 0.248 841 V C 2.651 178.736 176.094 -0.015 0.000 1.053 841 V CA 2.189 64.483 62.300 -0.010 0.000 1.027 841 V CB -1.213 30.604 31.823 -0.010 0.000 0.646 841 V HN 0.179 nan 8.190 nan 0.000 0.447 842 G N -0.109 108.679 108.800 -0.020 0.000 2.448 842 G HA2 0.000 3.968 3.960 0.013 0.000 0.219 842 G HA3 0.000 3.968 3.960 0.013 0.000 0.219 842 G C 1.377 176.261 174.900 -0.027 0.000 1.127 842 G CA 0.874 45.958 45.100 -0.027 0.000 0.766 842 G HN 1.045 nan 8.290 nan 0.000 0.552 843 A N -0.478 122.329 122.820 -0.022 0.000 2.423 843 A HA 0.547 4.875 4.320 0.013 0.000 0.246 843 A C 1.396 178.974 177.584 -0.009 0.000 1.278 843 A CA 0.928 52.955 52.037 -0.017 0.000 0.903 843 A CB -0.021 18.970 19.000 -0.015 0.000 0.997 843 A HN 0.622 nan 8.150 nan 0.000 0.510 844 S N -1.055 114.639 115.700 -0.009 0.000 3.635 844 S HA -0.149 4.328 4.470 0.013 0.000 0.328 844 S C -0.043 174.556 174.600 -0.001 0.000 1.135 844 S CA 1.078 59.275 58.200 -0.006 0.000 0.942 844 S CB -2.025 61.171 63.200 -0.006 0.000 0.930 844 S HN 0.612 nan 8.310 nan 0.000 0.512 845 I N 2.389 122.960 120.570 0.001 0.000 2.390 845 I HA 0.252 4.430 4.170 0.013 0.000 0.283 845 I C 0.911 177.032 176.117 0.005 0.000 1.016 845 I CA -0.461 60.843 61.300 0.006 0.000 1.151 845 I CB 1.451 39.459 38.000 0.013 0.000 1.293 845 I HN 0.268 nan 8.210 nan 0.000 0.458 846 T N 0.009 114.566 114.554 0.005 0.000 2.868 846 T HA 0.139 4.497 4.350 0.013 0.000 0.292 846 T C 0.833 175.536 174.700 0.005 0.000 1.028 846 T CA -0.632 61.470 62.100 0.004 0.000 1.059 846 T CB 1.430 70.300 68.868 0.003 0.000 0.991 846 T HN 0.412 nan 8.240 nan 0.000 0.531 847 D N 0.750 121.152 120.400 0.004 0.000 2.144 847 D HA -0.103 4.545 4.640 0.013 0.000 0.199 847 D C 1.594 177.897 176.300 0.005 0.000 0.984 847 D CA 1.142 55.145 54.000 0.004 0.000 0.834 847 D CB -0.165 40.637 40.800 0.003 0.000 0.955 847 D HN 0.619 nan 8.370 nan 0.000 0.465 848 D N 0.531 120.934 120.400 0.004 0.000 2.178 848 D HA -0.055 4.593 4.640 0.013 0.000 0.202 848 D C 2.033 178.337 176.300 0.006 0.000 0.974 848 D CA 0.910 54.912 54.000 0.004 0.000 0.841 848 D CB -0.123 40.679 40.800 0.004 0.000 0.953 848 D HN 0.132 nan 8.370 nan 0.000 0.478 849 A N 0.999 123.823 122.820 0.007 0.000 1.933 849 A HA -0.125 4.203 4.320 0.013 0.000 0.218 849 A C 2.109 179.700 177.584 0.010 0.000 1.175 849 A CA 0.864 52.906 52.037 0.008 0.000 0.628 849 A CB -0.351 18.654 19.000 0.009 0.000 0.814 849 A HN 0.118 nan 8.150 nan 0.000 0.444 850 L N -0.462 120.767 121.223 0.010 0.000 2.095 850 L HA -0.069 4.279 4.340 0.013 0.000 0.204 850 L C 2.622 179.497 176.870 0.008 0.000 1.080 850 L CA 2.210 57.056 54.840 0.011 0.000 0.759 850 L CB -2.111 39.954 42.059 0.011 0.000 0.914 850 L HN 0.331 nan 8.230 nan 0.000 0.439 851 T N 0.584 115.142 114.554 0.006 0.000 2.746 851 T HA -0.147 4.211 4.350 0.013 0.000 0.267 851 T C 2.013 176.716 174.700 0.006 0.000 1.039 851 T CA 1.361 63.464 62.100 0.005 0.000 1.142 851 T CB -0.186 68.685 68.868 0.004 0.000 0.866 851 T HN 0.394 nan 8.240 nan 0.000 0.444 852 A N 1.377 124.201 122.820 0.007 0.000 1.940 852 A HA 0.137 4.465 4.320 0.013 0.000 0.219 852 A C 2.465 180.054 177.584 0.009 0.000 1.176 852 A CA 1.708 53.749 52.037 0.007 0.000 0.631 852 A CB -0.841 18.163 19.000 0.007 0.000 0.814 852 A HN 0.520 nan 8.150 nan 0.000 0.446 853 A N -2.212 120.614 122.820 0.010 0.000 2.238 853 A HA 0.413 4.741 4.320 0.013 0.000 0.208 853 A C 1.717 179.308 177.584 0.012 0.000 1.177 853 A CA 1.270 53.315 52.037 0.013 0.000 0.804 853 A CB -0.715 18.295 19.000 0.016 0.000 0.823 853 A HN 1.852 nan 8.150 nan 0.000 0.482 854 G N -2.525 106.280 108.800 0.009 0.000 2.184 854 G HA2 0.170 4.138 3.960 0.013 0.000 0.206 854 G HA3 0.170 4.138 3.960 0.013 0.000 0.206 854 G C 0.381 175.285 174.900 0.006 0.000 0.995 854 G CA 0.114 45.219 45.100 0.009 0.000 0.651 854 G HN 1.438 nan 8.290 nan 0.000 0.511 855 A N -0.183 122.639 122.820 0.003 0.000 2.304 855 A HA 0.826 5.154 4.320 0.013 0.000 0.271 855 A C 0.553 178.137 177.584 -0.000 0.000 1.091 855 A CA 0.871 52.907 52.037 -0.002 0.000 0.812 855 A CB 0.991 19.988 19.000 -0.005 0.000 1.056 855 A HN 1.376 nan 8.150 nan 0.000 0.489 856 T N 1.540 116.092 114.554 -0.002 0.000 2.779 856 T HA 0.519 4.877 4.350 0.013 0.000 0.280 856 T C -0.473 174.226 174.700 -0.001 0.000 0.987 856 T CA -0.586 61.514 62.100 -0.001 0.000 0.966 856 T CB -0.104 68.765 68.868 0.000 0.000 0.933 856 T HN 0.358 nan 8.240 nan 0.000 0.442 857 I N 4.555 125.126 120.570 0.000 0.000 2.331 857 I HA 0.501 4.679 4.170 0.013 0.000 0.292 857 I C 0.750 176.868 176.117 0.001 0.000 0.998 857 I CA -0.806 60.494 61.300 0.001 0.000 1.267 857 I CB 0.542 38.543 38.000 0.002 0.000 1.386 857 I HN 0.799 nan 8.210 nan 0.000 0.476 858 A N 4.456 127.277 122.820 0.002 0.000 2.312 858 A HA 0.498 4.826 4.320 0.013 0.000 0.326 858 A C 0.945 178.531 177.584 0.003 0.000 1.172 858 A CA -0.316 51.722 52.037 0.002 0.000 0.821 858 A CB 0.834 19.836 19.000 0.003 0.000 1.166 858 A HN 0.787 nan 8.150 nan 0.000 0.493 859 S N 0.658 116.359 115.700 0.002 0.000 2.489 859 S HA 0.072 4.550 4.470 0.013 0.000 0.228 859 S C 0.801 175.403 174.600 0.002 0.000 0.995 859 S CA 1.037 59.239 58.200 0.002 0.000 0.934 859 S CB -0.602 62.599 63.200 0.002 0.000 0.771 859 S HN 1.507 nan 8.310 nan 0.000 0.522 860 T N -3.477 111.079 114.554 0.003 0.000 2.896 860 T HA 0.806 5.164 4.350 0.013 0.000 0.297 860 T C 0.970 175.673 174.700 0.006 0.000 1.108 860 T CA -0.385 61.717 62.100 0.004 0.000 1.004 860 T CB 1.456 70.327 68.868 0.004 0.000 1.159 860 T HN 0.097 nan 8.240 nan 0.000 0.499 861 A N 1.620 124.444 122.820 0.006 0.000 1.883 861 A HA 0.184 4.512 4.320 0.013 0.000 0.217 861 A C 2.604 180.194 177.584 0.010 0.000 1.186 861 A CA 2.395 54.438 52.037 0.009 0.000 0.624 861 A CB -1.592 17.413 19.000 0.009 0.000 0.822 861 A HN 1.482 nan 8.150 nan 0.000 0.444 862 A N -0.528 122.298 122.820 0.009 0.000 1.859 862 A HA -0.312 4.016 4.320 0.013 0.000 0.217 862 A C 2.122 179.712 177.584 0.009 0.000 1.198 862 A CA 2.040 54.082 52.037 0.009 0.000 0.629 862 A CB -0.874 18.131 19.000 0.008 0.000 0.830 862 A HN 0.677 nan 8.150 nan 0.000 0.446 863 Q N -0.699 119.105 119.800 0.007 0.000 2.135 863 Q HA -0.109 4.239 4.340 0.013 0.000 0.204 863 Q C 2.398 178.402 176.000 0.007 0.000 0.981 863 Q CA 1.464 57.271 55.803 0.007 0.000 0.856 863 Q CB -0.451 28.290 28.738 0.005 0.000 0.902 863 Q HN 0.708 nan 8.270 nan 0.000 0.425 864 A N 0.942 123.766 122.820 0.007 0.000 1.858 864 A HA -0.144 4.184 4.320 0.013 0.000 0.216 864 A C 2.060 179.649 177.584 0.009 0.000 1.190 864 A CA 1.212 53.253 52.037 0.006 0.000 0.617 864 A CB -0.619 18.386 19.000 0.007 0.000 0.827 864 A HN 0.290 nan 8.150 nan 0.000 0.443 865 L N -1.030 120.201 121.223 0.014 0.000 2.179 865 L HA -0.077 4.271 4.340 0.013 0.000 0.208 865 L C 2.423 179.305 176.870 0.019 0.000 1.096 865 L CA 0.708 55.560 54.840 0.019 0.000 0.779 865 L CB -0.660 41.413 42.059 0.024 0.000 0.922 865 L HN 0.531 nan 8.230 nan 0.000 0.443 866 S N 0.375 116.084 115.700 0.016 0.000 1.712 866 S HA -0.356 4.122 4.470 0.013 0.000 0.535 866 S C 1.386 175.997 174.600 0.018 0.000 0.915 866 S CA 2.131 60.340 58.200 0.015 0.000 3.371 866 S CB -0.290 62.917 63.200 0.012 0.000 2.346 866 S HN 0.488 nan 8.310 nan 0.000 0.586 867 Q N 1.160 120.971 119.800 0.018 0.000 2.237 867 Q HA 0.506 4.853 4.340 0.013 0.000 0.252 867 Q C 0.004 176.020 176.000 0.027 0.000 0.877 867 Q CA 0.328 56.143 55.803 0.021 0.000 1.011 867 Q CB 0.129 28.878 28.738 0.017 0.000 1.118 867 Q HN 0.606 nan 8.270 nan 0.000 0.458 868 A N 0.983 123.820 122.820 0.028 0.000 2.520 868 A HA 0.002 4.330 4.320 0.013 0.000 0.245 868 A C 0.737 178.351 177.584 0.050 0.000 1.072 868 A CA 0.075 52.132 52.037 0.034 0.000 0.761 868 A CB 0.316 19.329 19.000 0.022 0.000 1.004 868 A HN 0.166 nan 8.150 nan 0.000 0.499 869 D N 0.879 121.319 120.400 0.068 0.000 2.249 869 D HA 0.050 4.698 4.640 0.013 0.000 0.205 869 D C 0.058 176.424 176.300 0.110 0.000 0.962 869 D CA 1.269 55.322 54.000 0.088 0.000 0.860 869 D CB 0.215 41.077 40.800 0.103 0.000 0.955 869 D HN 0.266 nan 8.370 nan 0.000 0.505 870 V N 1.377 121.345 119.914 0.090 0.000 2.638 870 V HA 0.315 4.443 4.120 0.013 0.000 0.306 870 V C -0.266 175.833 176.094 0.008 0.000 1.052 870 V CA -0.797 61.545 62.300 0.069 0.000 0.885 870 V CB 2.825 34.647 31.823 -0.001 0.000 0.999 870 V HN -0.263 nan 8.190 nan 0.000 0.424 871 V N 3.375 123.355 119.914 0.111 0.000 2.444 871 V HA 0.518 4.645 4.120 0.013 0.000 0.294 871 V C -1.202 175.090 176.094 0.330 0.000 1.022 871 V CA -0.576 61.803 62.300 0.132 0.000 0.850 871 V CB 1.952 33.848 31.823 0.121 0.000 0.992 871 V HN 0.821 nan 8.190 nan 0.000 0.426 872 W N 4.098 125.426 121.300 0.046 0.000 2.520 872 W HA 0.757 5.426 4.660 0.015 0.000 0.323 872 W C 0.079 176.649 176.519 0.084 0.000 1.062 872 W CA -1.314 56.077 57.345 0.076 0.000 1.215 872 W CB 1.467 30.963 29.460 0.060 0.000 1.340 872 W HN 0.409 nan 8.180 nan 0.000 0.516 873 K N 1.049 121.633 120.400 0.307 0.000 2.495 873 K HA 0.461 4.789 4.320 0.013 0.000 0.268 873 K C 0.165 176.859 176.600 0.156 0.000 1.008 873 K CA -0.817 55.578 56.287 0.179 0.000 0.882 873 K CB 2.683 35.256 32.500 0.122 0.000 1.443 873 K HN 0.045 nan 8.250 nan 0.000 0.447 874 V N 0.440 120.324 119.914 -0.049 0.000 2.374 874 V HA -0.041 4.087 4.120 0.013 0.000 0.241 874 V C 0.522 176.571 176.094 -0.075 0.000 1.034 874 V CA 1.178 63.270 62.300 -0.347 0.000 1.037 874 V CB -0.021 31.462 31.823 -0.566 0.000 0.682 874 V HN 0.582 nan 8.190 nan 0.000 0.463 875 Q N -0.001 119.763 119.800 -0.060 0.000 2.297 875 Q HA 0.428 4.775 4.340 0.013 0.000 0.269 875 Q C -0.258 175.757 176.000 0.025 0.000 1.051 875 Q CA -0.884 54.907 55.803 -0.020 0.000 0.869 875 Q CB 1.538 30.226 28.738 -0.082 0.000 1.346 875 Q HN 0.503 nan 8.270 nan 0.000 0.457 876 R N 1.138 121.657 120.500 0.031 0.000 2.585 876 R HA 0.143 4.490 4.340 0.013 0.000 0.275 876 R C -2.343 173.971 176.300 0.023 0.000 1.018 876 R CA -1.093 55.030 56.100 0.038 0.000 1.072 876 R CB -0.519 29.800 30.300 0.031 0.000 0.953 876 R HN 0.228 nan 8.270 nan 0.000 0.419 877 P HA -0.039 nan 4.420 nan 0.000 0.268 877 P C -0.417 176.891 177.300 0.014 0.000 1.205 877 P CA 0.130 63.244 63.100 0.024 0.000 0.771 877 P CB 0.719 32.439 31.700 0.033 0.000 0.858 878 M N 1.832 121.437 119.600 0.009 0.000 2.242 878 M HA 0.187 4.674 4.480 0.013 0.000 0.344 878 M C 1.215 177.519 176.300 0.007 0.000 1.140 878 M CA 0.209 55.511 55.300 0.004 0.000 1.160 878 M CB 0.584 33.184 32.600 0.000 0.000 1.491 878 M HN 0.403 nan 8.290 nan 0.000 0.459 879 T N -0.763 113.794 114.554 0.005 0.000 2.912 879 T HA 0.575 4.932 4.350 0.013 0.000 0.280 879 T C 1.067 175.770 174.700 0.004 0.000 0.989 879 T CA -0.510 61.593 62.100 0.006 0.000 0.995 879 T CB 1.367 70.238 68.868 0.005 0.000 1.077 879 T HN 0.680 nan 8.240 nan 0.000 0.531 880 A N 0.380 123.203 122.820 0.004 0.000 1.978 880 A HA -0.094 4.234 4.320 0.013 0.000 0.220 880 A C 2.025 179.610 177.584 0.002 0.000 1.170 880 A CA 1.787 53.826 52.037 0.003 0.000 0.636 880 A CB -1.045 17.957 19.000 0.004 0.000 0.810 880 A HN 0.907 nan 8.150 nan 0.000 0.448 881 E N 0.348 120.549 120.200 0.002 0.000 2.208 881 E HA -0.099 4.259 4.350 0.013 0.000 0.193 881 E C 1.582 178.182 176.600 -0.000 0.000 0.988 881 E CA 1.219 57.619 56.400 0.001 0.000 0.828 881 E CB -0.216 29.485 29.700 0.001 0.000 0.763 881 E HN 0.773 nan 8.360 nan 0.000 0.478 882 E N -0.448 119.752 120.200 -0.000 0.000 2.502 882 E HA 0.138 4.496 4.350 0.013 0.000 0.194 882 E C 1.023 177.622 176.600 -0.003 0.000 1.062 882 E CA 0.365 56.764 56.400 -0.002 0.000 0.867 882 E CB 0.409 30.107 29.700 -0.003 0.000 0.888 882 E HN 0.327 nan 8.360 nan 0.000 0.510 883 G N 0.867 109.666 108.800 -0.001 0.000 2.475 883 G HA2 -0.192 3.776 3.960 0.013 0.000 0.198 883 G HA3 -0.192 3.776 3.960 0.013 0.000 0.198 883 G C 0.263 175.163 174.900 -0.000 0.000 2.226 883 G CA -0.234 44.865 45.100 -0.001 0.000 1.626 883 G HN 0.187 nan 8.290 nan 0.000 0.534 884 T N 2.353 116.907 114.554 -0.000 0.000 2.767 884 T HA 0.503 4.861 4.350 0.013 0.000 0.288 884 T C -0.893 173.809 174.700 0.003 0.000 0.963 884 T CA -0.066 62.035 62.100 0.002 0.000 1.019 884 T CB 1.766 70.634 68.868 0.001 0.000 0.923 884 T HN 0.334 nan 8.240 nan 0.000 0.468 885 D N 3.063 123.466 120.400 0.005 0.000 2.508 885 D HA 0.064 4.712 4.640 0.013 0.000 0.224 885 D C 1.149 177.455 176.300 0.009 0.000 1.171 885 D CA -0.060 53.944 54.000 0.007 0.000 1.006 885 D CB 0.359 41.163 40.800 0.007 0.000 1.073 885 D HN 0.556 nan 8.370 nan 0.000 0.513 886 E N 0.951 121.157 120.200 0.011 0.000 2.072 886 E HA -0.114 4.244 4.350 0.013 0.000 0.191 886 E C 2.027 178.638 176.600 0.019 0.000 0.985 886 E CA 0.736 57.145 56.400 0.015 0.000 0.801 886 E CB 0.357 30.066 29.700 0.016 0.000 0.750 886 E HN 0.317 nan 8.360 nan 0.000 0.452 887 V N 1.704 121.629 119.914 0.018 0.000 2.380 887 V HA -0.291 3.837 4.120 0.013 0.000 0.251 887 V C 2.347 178.452 176.094 0.019 0.000 1.063 887 V CA 1.865 64.177 62.300 0.020 0.000 1.055 887 V CB -0.747 31.086 31.823 0.017 0.000 0.657 887 V HN 0.305 nan 8.190 nan 0.000 0.455 888 A N -0.631 122.197 122.820 0.015 0.000 2.172 888 A HA -0.012 4.316 4.320 0.013 0.000 0.216 888 A C 2.078 179.671 177.584 0.015 0.000 1.154 888 A CA 1.158 53.204 52.037 0.014 0.000 0.701 888 A CB -0.423 18.584 19.000 0.011 0.000 0.789 888 A HN 0.569 nan 8.150 nan 0.000 0.465 889 L N -0.645 120.588 121.223 0.017 0.000 2.446 889 L HA 0.200 4.548 4.340 0.013 0.000 0.219 889 L C 0.291 177.175 176.870 0.023 0.000 1.116 889 L CA 0.024 54.875 54.840 0.018 0.000 0.844 889 L CB -0.226 41.843 42.059 0.018 0.000 0.970 889 L HN 0.255 nan 8.230 nan 0.000 0.457 890 I N 0.789 121.375 120.570 0.026 0.000 2.428 890 I HA 0.072 4.249 4.170 0.013 0.000 0.289 890 I C 0.676 176.811 176.117 0.029 0.000 1.019 890 I CA -0.227 61.093 61.300 0.033 0.000 1.351 890 I CB 1.049 39.073 38.000 0.040 0.000 1.412 890 I HN 0.024 nan 8.210 nan 0.000 0.513 891 K N 6.474 126.893 120.400 0.032 0.000 2.382 891 K HA 0.106 4.434 4.320 0.013 0.000 0.275 891 K C -0.080 176.538 176.600 0.029 0.000 1.009 891 K CA -0.294 56.010 56.287 0.028 0.000 0.970 891 K CB 0.610 33.128 32.500 0.030 0.000 0.934 891 K HN 0.550 nan 8.250 nan 0.000 0.479 892 E N 1.289 121.503 120.200 0.023 0.000 2.417 892 E HA 0.012 4.370 4.350 0.013 0.000 0.261 892 E C 0.515 177.130 176.600 0.025 0.000 1.000 892 E CA 0.985 57.398 56.400 0.021 0.000 0.919 892 E CB 0.381 30.090 29.700 0.016 0.000 0.955 892 E HN 0.940 nan 8.360 nan 0.000 0.455 893 G N 2.222 111.037 108.800 0.026 0.000 2.141 893 G HA2 -0.263 3.704 3.960 0.013 0.000 0.242 893 G HA3 -0.263 3.704 3.960 0.013 0.000 0.242 893 G C 0.260 175.187 174.900 0.046 0.000 0.982 893 G CA 0.017 45.135 45.100 0.031 0.000 0.662 893 G HN 0.741 nan 8.290 nan 0.000 0.527 894 A N -0.739 122.112 122.820 0.051 0.000 2.271 894 A HA 0.799 5.127 4.320 0.013 0.000 0.288 894 A C 0.342 177.982 177.584 0.094 0.000 1.094 894 A CA 0.044 52.124 52.037 0.072 0.000 0.828 894 A CB 1.354 20.395 19.000 0.068 0.000 1.091 894 A HN 1.117 nan 8.150 nan 0.000 0.493 895 V N 1.691 121.688 119.914 0.138 0.000 2.347 895 V HA 0.376 4.504 4.120 0.013 0.000 0.280 895 V C -0.476 175.757 176.094 0.232 0.000 1.021 895 V CA -0.275 62.149 62.300 0.207 0.000 0.847 895 V CB 0.826 32.819 31.823 0.283 0.000 0.990 895 V HN 0.734 nan 8.190 nan 0.000 0.444 896 L N 6.835 128.189 121.223 0.219 0.000 2.307 896 L HA 0.742 5.090 4.340 0.013 0.000 0.284 896 L C -0.478 176.561 176.870 0.283 0.000 1.023 896 L CA -0.003 54.971 54.840 0.223 0.000 0.810 896 L CB 1.527 43.667 42.059 0.134 0.000 1.231 896 L HN 0.645 nan 8.230 nan 0.000 0.423 897 M N 6.428 126.209 119.600 0.302 0.000 2.259 897 M HA 0.646 5.134 4.480 0.013 0.000 0.304 897 M C -0.947 175.420 176.300 0.111 0.000 1.019 897 M CA -0.452 54.963 55.300 0.192 0.000 0.922 897 M CB 1.724 34.398 32.600 0.123 0.000 1.600 897 M HN 0.945 nan 8.290 nan 0.000 0.433 898 C N -0.518 118.823 119.300 0.069 0.000 3.167 898 C HA 0.390 4.858 4.460 0.013 0.000 0.348 898 C C -0.901 174.181 174.990 0.153 0.000 1.394 898 C CA -1.043 58.071 59.018 0.161 0.000 1.204 898 C CB 1.506 29.349 27.740 0.173 0.000 1.467 898 C HN 0.925 nan 8.230 nan 0.000 0.446 899 H N 1.740 120.911 119.070 0.169 0.000 3.109 899 H HA 0.354 4.916 4.556 0.010 0.000 0.266 899 H C 0.635 175.987 175.328 0.039 0.000 1.334 899 H CA 0.119 56.226 56.048 0.099 0.000 1.456 899 H CB 0.853 30.706 29.762 0.153 0.000 1.587 899 H HN 0.695 nan 8.280 nan 0.000 0.500 900 L N 4.092 125.422 121.223 0.177 0.000 2.093 900 L HA 0.069 4.417 4.340 0.013 0.000 0.208 900 L C 1.382 178.332 176.870 0.133 0.000 1.085 900 L CA 1.731 56.639 54.840 0.113 0.000 0.755 900 L CB -0.353 41.722 42.059 0.028 0.000 0.904 900 L HN 0.958 nan 8.230 nan 0.000 0.435 901 G N -1.834 107.088 108.800 0.202 0.000 2.470 901 G HA2 -0.168 3.800 3.960 0.013 0.000 0.286 901 G HA3 -0.168 3.800 3.960 0.013 0.000 0.286 901 G C 0.874 175.808 174.900 0.056 0.000 1.115 901 G CA 0.662 45.851 45.100 0.149 0.000 1.122 901 G HN 0.749 nan 8.290 nan 0.000 0.522 902 A N 0.629 123.460 122.820 0.018 0.000 1.822 902 A HA 0.290 4.618 4.320 0.013 0.000 0.214 902 A C 2.067 179.655 177.584 0.007 0.000 1.245 902 A CA 1.730 53.760 52.037 -0.011 0.000 0.608 902 A CB -0.376 18.580 19.000 -0.073 0.000 0.896 902 A HN 1.676 nan 8.150 nan 0.000 0.457 903 L N 0.778 122.005 121.223 0.008 0.000 3.062 903 L HA 0.122 4.470 4.340 0.013 0.000 0.264 903 L C 0.446 177.329 176.870 0.022 0.000 1.242 903 L CA 1.669 56.522 54.840 0.022 0.000 1.072 903 L CB -0.875 41.200 42.059 0.027 0.000 1.420 903 L HN 0.361 nan 8.230 nan 0.000 0.412 904 T N -1.851 112.716 114.554 0.022 0.000 3.186 904 T HA 0.305 4.662 4.350 0.013 0.000 0.292 904 T C 0.219 174.927 174.700 0.014 0.000 0.915 904 T CA -0.161 61.951 62.100 0.020 0.000 0.902 904 T CB 0.216 69.100 68.868 0.026 0.000 1.192 904 T HN 0.357 nan 8.240 nan 0.000 0.563 905 N N 0.534 119.243 118.700 0.015 0.000 3.621 905 N HA 0.614 5.362 4.740 0.013 0.000 0.345 905 N C 0.272 175.788 175.510 0.011 0.000 1.646 905 N CA -0.851 52.206 53.050 0.011 0.000 0.731 905 N CB 1.100 39.594 38.487 0.011 0.000 2.435 905 N HN 0.019 nan 8.380 nan 0.000 0.613 906 R N -1.437 119.069 120.500 0.009 0.000 2.293 906 R HA -0.031 4.317 4.340 0.013 0.000 0.037 906 R C -2.098 174.206 176.300 0.007 0.000 0.578 906 R CA 0.195 56.300 56.100 0.009 0.000 1.588 906 R CB -0.860 29.446 30.300 0.010 0.000 0.845 906 R HN 0.426 nan 8.270 nan 0.000 0.563 907 P HA 0.069 nan 4.420 nan 0.000 0.215 907 P C 1.682 178.985 177.300 0.005 0.000 1.160 907 P CA 0.864 63.967 63.100 0.005 0.000 0.869 907 P CB 0.164 31.866 31.700 0.004 0.000 0.782 908 V N 0.713 120.631 119.914 0.006 0.000 2.343 908 V HA -0.180 3.948 4.120 0.013 0.000 0.247 908 V C 2.892 178.991 176.094 0.007 0.000 1.051 908 V CA 1.619 63.923 62.300 0.008 0.000 1.036 908 V CB -1.083 30.746 31.823 0.010 0.000 0.654 908 V HN -0.115 nan 8.190 nan 0.000 0.451 909 V N 0.031 119.949 119.914 0.006 0.000 2.380 909 V HA -0.356 3.772 4.120 0.013 0.000 0.251 909 V C 2.375 178.470 176.094 0.002 0.000 1.063 909 V CA 2.505 64.806 62.300 0.002 0.000 1.055 909 V CB -0.694 31.131 31.823 0.002 0.000 0.657 909 V HN 0.713 nan 8.190 nan 0.000 0.455 910 E N 0.146 120.348 120.200 0.004 0.000 2.107 910 E HA -0.133 4.225 4.350 0.013 0.000 0.191 910 E C 2.228 178.830 176.600 0.004 0.000 0.982 910 E CA 1.009 57.411 56.400 0.003 0.000 0.809 910 E CB -0.199 29.503 29.700 0.004 0.000 0.756 910 E HN 0.577 nan 8.360 nan 0.000 0.459 911 A N 0.982 123.805 122.820 0.005 0.000 1.930 911 A HA -0.115 4.212 4.320 0.013 0.000 0.217 911 A C 2.142 179.730 177.584 0.007 0.000 1.175 911 A CA 0.919 52.960 52.037 0.006 0.000 0.627 911 A CB -0.535 18.469 19.000 0.008 0.000 0.815 911 A HN 0.297 nan 8.150 nan 0.000 0.443 912 L N -0.796 120.431 121.223 0.006 0.000 2.056 912 L HA -0.151 4.197 4.340 0.013 0.000 0.207 912 L C 2.795 179.665 176.870 0.000 0.000 1.078 912 L CA 1.755 56.598 54.840 0.005 0.000 0.749 912 L CB -1.025 41.035 42.059 0.001 0.000 0.901 912 L HN 0.337 nan 8.230 nan 0.000 0.433 913 T N 0.276 114.829 114.554 -0.002 0.000 2.708 913 T HA -0.191 4.167 4.350 0.013 0.000 0.266 913 T C 1.849 176.549 174.700 0.000 0.000 1.037 913 T CA 1.659 63.757 62.100 -0.003 0.000 1.146 913 T CB -0.206 68.660 68.868 -0.002 0.000 0.865 913 T HN 0.413 nan 8.240 nan 0.000 0.435 914 K N 1.546 121.948 120.400 0.003 0.000 2.209 914 K HA -0.087 4.241 4.320 0.013 0.000 0.204 914 K C 1.837 178.440 176.600 0.005 0.000 1.048 914 K CA 1.236 57.526 56.287 0.004 0.000 0.940 914 K CB -0.213 32.289 32.500 0.005 0.000 0.729 914 K HN 0.253 nan 8.250 nan 0.000 0.451 915 R N 1.170 121.674 120.500 0.007 0.000 2.334 915 R HA 0.131 4.479 4.340 0.013 0.000 0.220 915 R C -0.235 176.071 176.300 0.010 0.000 0.917 915 R CA -0.081 56.024 56.100 0.009 0.000 1.073 915 R CB 0.021 30.329 30.300 0.012 0.000 1.056 915 R HN 0.197 nan 8.270 nan 0.000 0.506 916 K N 1.045 121.448 120.400 0.006 0.000 3.278 916 K HA -0.191 4.136 4.320 0.013 0.000 0.270 916 K C -0.539 176.064 176.600 0.006 0.000 0.955 916 K CA 0.705 56.994 56.287 0.004 0.000 0.723 916 K CB -1.506 30.998 32.500 0.006 0.000 1.382 916 K HN 0.312 nan 8.250 nan 0.000 0.461 917 I N 0.650 121.222 120.570 0.003 0.000 2.428 917 I HA 0.081 4.259 4.170 0.013 0.000 0.296 917 I C 0.816 176.922 176.117 -0.018 0.000 0.985 917 I CA -0.470 60.835 61.300 0.008 0.000 1.260 917 I CB 1.748 39.759 38.000 0.018 0.000 1.389 917 I HN -0.016 nan 8.210 nan 0.000 0.484 918 T N 5.858 120.400 114.554 -0.020 0.000 2.762 918 T HA 0.499 4.856 4.350 0.013 0.000 0.303 918 T C -0.021 174.582 174.700 -0.161 0.000 0.977 918 T CA -0.459 61.576 62.100 -0.109 0.000 0.961 918 T CB 0.618 69.436 68.868 -0.083 0.000 0.944 918 T HN 0.639 nan 8.240 nan 0.000 0.481 919 A N 3.801 126.490 122.820 -0.219 0.000 2.292 919 A HA 0.706 5.033 4.320 0.013 0.000 0.319 919 A C -1.183 176.214 177.584 -0.311 0.000 1.206 919 A CA -0.636 51.306 52.037 -0.159 0.000 0.835 919 A CB 0.501 19.463 19.000 -0.063 0.000 1.164 919 A HN 0.796 nan 8.150 nan 0.000 0.505 920 Y N 1.409 121.722 120.300 0.023 0.000 2.402 920 Y HA 0.485 5.042 4.550 0.013 0.000 0.332 920 Y C 0.705 176.527 175.900 -0.130 0.000 0.960 920 Y CA -0.439 57.642 58.100 -0.033 0.000 1.228 920 Y CB 1.684 40.165 38.460 0.034 0.000 1.120 920 Y HN 0.781 nan 8.280 nan 0.000 0.491 921 A N 5.059 127.850 122.820 -0.047 0.000 2.457 921 A HA 0.200 4.528 4.320 0.013 0.000 0.298 921 A C 1.141 178.583 177.584 -0.235 0.000 1.288 921 A CA -0.393 51.565 52.037 -0.131 0.000 0.956 921 A CB 0.016 18.916 19.000 -0.165 0.000 1.135 921 A HN 0.837 nan 8.150 nan 0.000 0.535 922 M N 1.712 121.134 119.600 -0.296 0.000 2.346 922 M HA -0.142 4.346 4.480 0.013 0.000 0.263 922 M C 2.080 178.134 176.300 -0.411 0.000 1.064 922 M CA 1.519 56.552 55.300 -0.445 0.000 1.083 922 M CB -0.942 31.355 32.600 -0.505 0.000 1.399 922 M HN 0.936 nan 8.290 nan 0.000 0.435 923 E N 0.712 120.650 120.200 -0.437 0.000 2.338 923 E HA -0.135 4.223 4.350 0.013 0.000 0.197 923 E C 1.534 177.968 176.600 -0.277 0.000 1.007 923 E CA 0.871 57.002 56.400 -0.449 0.000 0.849 923 E CB -0.659 28.612 29.700 -0.714 0.000 0.774 923 E HN 0.510 nan 8.360 nan 0.000 0.506 924 L N 0.810 121.880 121.223 -0.255 0.000 2.627 924 L HA 0.213 4.561 4.340 0.013 0.000 0.232 924 L C 0.986 177.772 176.870 -0.141 0.000 1.150 924 L CA -0.561 54.167 54.840 -0.185 0.000 0.917 924 L CB -0.399 41.515 42.059 -0.242 0.000 1.104 924 L HN 0.076 nan 8.230 nan 0.000 0.445 925 M N 2.149 121.639 119.600 -0.184 0.000 2.338 925 M HA 0.103 4.591 4.480 0.013 0.000 0.360 925 M C -2.130 174.127 176.300 -0.072 0.000 1.547 925 M CA -1.413 53.795 55.300 -0.153 0.000 1.001 925 M CB -0.112 32.369 32.600 -0.197 0.000 2.008 925 M HN -0.211 nan 8.290 nan 0.000 0.464 926 P HA 0.055 nan 4.420 nan 0.000 0.268 926 P C -0.868 176.429 177.300 -0.006 0.000 1.204 926 P CA 0.179 63.280 63.100 0.003 0.000 0.768 926 P CB 0.349 32.067 31.700 0.030 0.000 0.842 927 R N 3.220 123.718 120.500 -0.004 0.000 4.576 927 R HA 0.149 4.497 4.340 0.013 0.000 0.185 927 R C 0.356 176.657 176.300 0.002 0.000 1.837 927 R CA -0.013 56.084 56.100 -0.005 0.000 1.520 927 R CB -1.065 29.234 30.300 -0.003 0.000 1.403 927 R HN 0.537 nan 8.270 nan 0.000 0.831 928 I N -2.783 117.790 120.570 0.005 0.000 2.441 928 I HA 0.316 4.494 4.170 0.013 0.000 0.295 928 I C 1.037 177.158 176.117 0.006 0.000 0.994 928 I CA -0.721 60.585 61.300 0.009 0.000 1.144 928 I CB 2.230 40.240 38.000 0.018 0.000 1.314 928 I HN -0.014 nan 8.210 nan 0.000 0.445 929 S N 4.438 120.141 115.700 0.005 0.000 2.390 929 S HA -0.290 4.188 4.470 0.013 0.000 0.234 929 S C 1.758 176.360 174.600 0.003 0.000 1.063 929 S CA 2.544 60.745 58.200 0.002 0.000 1.108 929 S CB -0.605 62.597 63.200 0.002 0.000 0.975 929 S HN 0.893 nan 8.310 nan 0.000 0.442 930 R N 1.446 121.950 120.500 0.007 0.000 2.377 930 R HA 0.180 4.528 4.340 0.013 0.000 0.207 930 R C 1.442 177.750 176.300 0.014 0.000 1.075 930 R CA 1.055 57.159 56.100 0.008 0.000 1.035 930 R CB -0.257 30.048 30.300 0.009 0.000 0.857 930 R HN 0.365 nan 8.270 nan 0.000 0.475 931 A N 1.375 124.204 122.820 0.014 0.000 2.431 931 A HA 0.006 4.334 4.320 0.013 0.000 0.239 931 A C 1.843 179.422 177.584 -0.008 0.000 1.230 931 A CA -0.218 51.830 52.037 0.017 0.000 0.928 931 A CB 0.035 19.051 19.000 0.026 0.000 1.006 931 A HN 0.554 nan 8.150 nan 0.000 0.520 932 Q N 0.339 120.132 119.800 -0.012 0.000 2.291 932 Q HA -0.151 4.197 4.340 0.013 0.000 0.206 932 Q C 1.581 177.562 176.000 -0.032 0.000 0.976 932 Q CA 1.871 57.660 55.803 -0.023 0.000 0.875 932 Q CB -0.634 28.095 28.738 -0.014 0.000 0.927 932 Q HN 0.586 nan 8.270 nan 0.000 0.450 933 S N -0.633 115.053 115.700 -0.024 0.000 2.562 933 S HA 0.114 4.592 4.470 0.013 0.000 0.221 933 S C 1.556 176.126 174.600 -0.050 0.000 0.975 933 S CA 0.166 58.348 58.200 -0.030 0.000 0.918 933 S CB 0.018 63.209 63.200 -0.016 0.000 0.772 933 S HN 0.411 nan 8.310 nan 0.000 0.531 934 M N 1.070 120.638 119.600 -0.053 0.000 2.337 934 M HA 0.290 4.778 4.480 0.013 0.000 0.256 934 M C -0.088 176.103 176.300 -0.182 0.000 1.075 934 M CA -0.095 55.153 55.300 -0.086 0.000 1.024 934 M CB 0.294 32.900 32.600 0.011 0.000 1.429 934 M HN 0.094 nan 8.290 nan 0.000 0.497 935 D N 1.940 122.253 120.400 -0.145 0.000 2.352 935 D HA 0.097 4.745 4.640 0.013 0.000 0.245 935 D C 1.031 177.221 176.300 -0.185 0.000 1.224 935 D CA -0.069 53.833 54.000 -0.164 0.000 0.879 935 D CB 0.653 41.393 40.800 -0.100 0.000 1.057 935 D HN 0.419 nan 8.370 nan 0.000 0.491 936 I N 0.942 121.352 120.570 -0.266 0.000 2.439 936 I HA -0.110 4.067 4.170 0.013 0.000 0.251 936 I C 1.483 177.555 176.117 -0.076 0.000 1.139 936 I CA 0.264 61.416 61.300 -0.246 0.000 1.438 936 I CB -0.158 37.579 38.000 -0.439 0.000 1.085 936 I HN 0.219 nan 8.210 nan 0.000 0.427 937 L N 1.860 123.033 121.223 -0.083 0.000 2.079 937 L HA -0.175 4.173 4.340 0.013 0.000 0.210 937 L C 2.931 179.803 176.870 0.005 0.000 1.081 937 L CA 2.251 57.082 54.840 -0.015 0.000 0.752 937 L CB -0.935 41.103 42.059 -0.036 0.000 0.896 937 L HN 0.595 nan 8.230 nan 0.000 0.433 938 S N -2.024 113.665 115.700 -0.018 0.000 2.406 938 S HA -0.100 4.378 4.470 0.013 0.000 0.224 938 S C 2.135 176.740 174.600 0.008 0.000 1.030 938 S CA 0.673 58.873 58.200 -0.001 0.000 0.958 938 S CB -0.584 62.609 63.200 -0.011 0.000 0.811 938 S HN 0.488 nan 8.310 nan 0.000 0.489 939 S N 1.591 117.290 115.700 -0.003 0.000 2.387 939 S HA -0.076 4.402 4.470 0.013 0.000 0.226 939 S C 2.013 176.641 174.600 0.046 0.000 1.026 939 S CA 0.615 58.821 58.200 0.011 0.000 0.972 939 S CB -0.555 62.640 63.200 -0.008 0.000 0.814 939 S HN 0.456 nan 8.310 nan 0.000 0.477 940 Q N 1.484 121.327 119.800 0.072 0.000 2.083 940 Q HA 0.129 4.477 4.340 0.013 0.000 0.198 940 Q C 2.553 178.598 176.000 0.076 0.000 0.969 940 Q CA 1.369 57.232 55.803 0.099 0.000 0.838 940 Q CB -1.001 27.827 28.738 0.150 0.000 0.900 940 Q HN 0.588 nan 8.270 nan 0.000 0.436 941 S N 1.652 117.391 115.700 0.065 0.000 2.383 941 S HA -0.123 4.355 4.470 0.013 0.000 0.229 941 S C 1.699 176.338 174.600 0.064 0.000 1.030 941 S CA 0.924 59.160 58.200 0.061 0.000 1.002 941 S CB -0.195 63.035 63.200 0.050 0.000 0.829 941 S HN 0.375 nan 8.310 nan 0.000 0.467 942 N N 1.128 119.862 118.700 0.057 0.000 2.104 942 N HA -0.083 4.665 4.740 0.013 0.000 0.190 942 N C 1.515 177.076 175.510 0.086 0.000 1.024 942 N CA 1.009 54.095 53.050 0.060 0.000 0.853 942 N CB -0.353 38.157 38.487 0.038 0.000 1.008 942 N HN 0.227 nan 8.380 nan 0.000 0.424 943 L N 1.188 122.461 121.223 0.082 0.000 2.056 943 L HA 0.001 4.349 4.340 0.013 0.000 0.207 943 L C 2.457 179.417 176.870 0.151 0.000 1.078 943 L CA 1.082 55.989 54.840 0.113 0.000 0.749 943 L CB -1.642 40.464 42.059 0.078 0.000 0.901 943 L HN 0.056 nan 8.230 nan 0.000 0.433 944 A N -0.336 122.545 122.820 0.102 0.000 1.933 944 A HA -0.101 4.227 4.320 0.013 0.000 0.218 944 A C 2.431 180.064 177.584 0.081 0.000 1.175 944 A CA 1.625 53.711 52.037 0.082 0.000 0.628 944 A CB -1.168 17.871 19.000 0.064 0.000 0.814 944 A HN 0.430 nan 8.150 nan 0.000 0.444 945 G N -1.408 107.448 108.800 0.094 0.000 2.446 945 G HA2 -0.298 3.670 3.960 0.013 0.000 0.217 945 G HA3 -0.298 3.670 3.960 0.013 0.000 0.217 945 G C 1.562 176.518 174.900 0.094 0.000 1.168 945 G CA 1.321 46.474 45.100 0.088 0.000 0.771 945 G HN 0.671 nan 8.290 nan 0.000 0.551 946 Y N 1.430 121.742 120.300 0.019 0.000 2.145 946 Y HA -0.116 4.442 4.550 0.012 0.000 0.286 946 Y C 2.943 178.843 175.900 -0.001 0.000 1.145 946 Y CA 2.201 60.306 58.100 0.008 0.000 1.148 946 Y CB -0.189 38.272 38.460 0.002 0.000 0.981 946 Y HN 0.144 nan 8.280 nan 0.000 0.507 947 R N 1.204 121.636 120.500 -0.113 0.000 2.091 947 R HA -0.145 4.203 4.340 0.013 0.000 0.238 947 R C 2.344 178.540 176.300 -0.173 0.000 1.136 947 R CA 1.665 57.644 56.100 -0.201 0.000 0.959 947 R CB -1.184 29.113 30.300 -0.005 0.000 0.856 947 R HN 0.503 nan 8.270 nan 0.000 0.437 948 A N -0.323 122.455 122.820 -0.071 0.000 1.917 948 A HA -0.165 4.162 4.320 0.013 0.000 0.219 948 A C 2.341 179.895 177.584 -0.049 0.000 1.182 948 A CA 2.021 54.045 52.037 -0.021 0.000 0.633 948 A CB -0.842 18.169 19.000 0.018 0.000 0.819 948 A HN 0.205 nan 8.150 nan 0.000 0.448 949 V N 0.434 120.279 119.914 -0.115 0.000 2.358 949 V HA -0.228 3.900 4.120 0.013 0.000 0.246 949 V C 2.442 178.377 176.094 -0.265 0.000 1.047 949 V CA 1.698 63.916 62.300 -0.137 0.000 1.035 949 V CB -0.637 31.090 31.823 -0.160 0.000 0.658 949 V HN 0.519 nan 8.190 nan 0.000 0.452 950 I N 0.291 120.633 120.570 -0.379 0.000 2.226 950 I HA -0.206 3.972 4.170 0.013 0.000 0.245 950 I C 2.287 178.326 176.117 -0.129 0.000 1.100 950 I CA 1.700 62.801 61.300 -0.331 0.000 1.374 950 I CB -1.302 36.445 38.000 -0.422 0.000 1.057 950 I HN 0.358 nan 8.210 nan 0.000 0.413 951 D N 0.716 121.069 120.400 -0.079 0.000 2.144 951 D HA -0.091 4.557 4.640 0.013 0.000 0.200 951 D C 2.254 178.639 176.300 0.141 0.000 0.978 951 D CA 1.428 55.458 54.000 0.050 0.000 0.833 951 D CB -0.283 40.571 40.800 0.089 0.000 0.961 951 D HN 0.373 nan 8.370 nan 0.000 0.470 952 G N 0.951 109.809 108.800 0.097 0.000 2.421 952 G HA2 -0.174 3.794 3.960 0.013 0.000 0.216 952 G HA3 -0.174 3.794 3.960 0.013 0.000 0.216 952 G C 1.725 176.789 174.900 0.272 0.000 1.171 952 G CA 1.119 46.319 45.100 0.166 0.000 0.775 952 G HN 0.371 nan 8.290 nan 0.000 0.543 953 A N -0.236 122.671 122.820 0.146 0.000 1.969 953 A HA -0.005 4.323 4.320 0.013 0.000 0.218 953 A C 2.180 179.896 177.584 0.220 0.000 1.169 953 A CA 1.623 53.743 52.037 0.138 0.000 0.635 953 A CB -0.596 18.104 19.000 -0.501 0.000 0.810 953 A HN 0.490 nan 8.150 nan 0.000 0.445 954 Y N 0.698 121.027 120.300 0.050 0.000 2.200 954 Y HA -0.135 4.423 4.550 0.013 0.000 0.290 954 Y C 2.102 178.066 175.900 0.107 0.000 1.137 954 Y CA 2.018 60.151 58.100 0.056 0.000 1.163 954 Y CB 0.103 38.577 38.460 0.024 0.000 0.988 954 Y HN 0.315 nan 8.280 nan 0.000 0.518 955 E N -0.390 119.966 120.200 0.260 0.000 2.371 955 E HA -0.082 4.276 4.350 0.013 0.000 0.194 955 E C -0.160 176.565 176.600 0.208 0.000 1.012 955 E CA 0.095 56.604 56.400 0.181 0.000 0.860 955 E CB -0.324 29.510 29.700 0.223 0.000 0.811 955 E HN 0.221 nan 8.360 nan 0.000 0.502 956 F N 1.405 121.402 119.950 0.077 0.000 2.456 956 F HA 0.242 4.777 4.527 0.014 0.000 0.358 956 F C 1.195 177.011 175.800 0.027 0.000 1.095 956 F CA -0.991 57.056 58.000 0.078 0.000 1.216 956 F CB 1.063 40.170 39.000 0.177 0.000 1.125 956 F HN -0.151 nan 8.300 nan 0.000 0.549 957 A N 6.518 129.140 122.820 -0.331 0.000 2.238 957 A HA 0.167 4.495 4.320 0.013 0.000 0.208 957 A C 1.036 178.312 177.584 -0.512 0.000 1.177 957 A CA 0.278 52.108 52.037 -0.345 0.000 0.804 957 A CB -0.254 18.606 19.000 -0.233 0.000 0.823 957 A HN 0.725 nan 8.150 nan 0.000 0.482 958 R N -1.511 118.390 120.500 -1.000 0.000 2.873 958 R HA 0.661 5.009 4.340 0.013 0.000 0.264 958 R C -0.441 175.716 176.300 -0.238 0.000 1.026 958 R CA -0.314 55.379 56.100 -0.679 0.000 1.002 958 R CB 1.678 31.461 30.300 -0.861 0.000 1.174 958 R HN 0.213 nan 8.270 nan 0.000 0.488 959 A N 1.331 124.140 122.820 -0.018 0.000 2.331 959 A HA 0.267 4.595 4.320 0.013 0.000 0.283 959 A C 0.468 178.240 177.584 0.314 0.000 1.142 959 A CA -0.354 51.784 52.037 0.168 0.000 0.812 959 A CB 0.051 19.109 19.000 0.097 0.000 1.074 959 A HN 0.848 nan 8.150 nan 0.000 0.497 960 F N 2.379 122.434 119.950 0.175 0.000 2.065 960 F HA -0.076 4.459 4.527 0.012 0.000 0.298 960 F C -0.701 175.162 175.800 0.105 0.000 1.112 960 F CA 1.679 59.777 58.000 0.164 0.000 1.212 960 F CB -0.367 38.698 39.000 0.108 0.000 0.975 960 F HN 0.385 nan 8.300 nan 0.000 0.476 961 P HA -0.009 nan 4.420 nan 0.000 0.277 961 P C -0.704 176.656 177.300 0.100 0.000 1.240 961 P CA -0.225 62.967 63.100 0.153 0.000 0.798 961 P CB 0.894 32.672 31.700 0.130 0.000 0.979 962 M N 3.533 123.174 119.600 0.070 0.000 2.227 962 M HA 0.195 4.683 4.480 0.013 0.000 0.349 962 M C -0.577 175.748 176.300 0.043 0.000 1.443 962 M CA 0.362 55.690 55.300 0.047 0.000 1.110 962 M CB -0.214 32.407 32.600 0.035 0.000 1.773 962 M HN 0.250 nan 8.290 nan 0.000 0.463 963 M N 7.077 126.698 119.600 0.035 0.000 2.101 963 M HA 0.391 4.879 4.480 0.013 0.000 0.340 963 M C -1.287 175.024 176.300 0.019 0.000 1.057 963 M CA -0.164 55.153 55.300 0.028 0.000 0.984 963 M CB 1.497 34.112 32.600 0.026 0.000 1.560 963 M HN 0.719 nan 8.290 nan 0.000 0.435 964 M N 3.606 123.217 119.600 0.018 0.000 2.066 964 M HA 0.372 4.860 4.480 0.013 0.000 0.340 964 M C 0.079 176.386 176.300 0.011 0.000 1.053 964 M CA -0.352 54.956 55.300 0.013 0.000 0.983 964 M CB 1.552 34.160 32.600 0.013 0.000 1.520 964 M HN 0.743 nan 8.290 nan 0.000 0.428 965 T N -0.676 113.883 114.554 0.008 0.000 2.858 965 T HA 0.708 5.065 4.350 0.013 0.000 0.285 965 T C 0.939 175.642 174.700 0.005 0.000 1.052 965 T CA -0.434 61.670 62.100 0.007 0.000 1.009 965 T CB 1.543 70.414 68.868 0.005 0.000 1.241 965 T HN 0.543 nan 8.240 nan 0.000 0.542 966 A N 0.175 122.998 122.820 0.004 0.000 1.972 966 A HA 0.277 4.605 4.320 0.013 0.000 0.219 966 A C 2.452 180.037 177.584 0.001 0.000 1.169 966 A CA 1.869 53.907 52.037 0.003 0.000 0.635 966 A CB -1.455 17.546 19.000 0.002 0.000 0.810 966 A HN 1.238 nan 8.150 nan 0.000 0.446 967 A N -1.581 121.239 122.820 0.001 0.000 1.930 967 A HA 0.476 4.804 4.320 0.013 0.000 0.215 967 A C 1.288 178.872 177.584 -0.001 0.000 1.176 967 A CA 1.577 53.614 52.037 -0.001 0.000 0.632 967 A CB -0.446 18.552 19.000 -0.003 0.000 0.819 967 A HN 1.693 nan 8.150 nan 0.000 0.445 968 G N -3.117 105.683 108.800 -0.000 0.000 2.316 968 G HA2 0.430 4.398 3.960 0.013 0.000 0.296 968 G HA3 0.430 4.398 3.960 0.013 0.000 0.296 968 G C -1.023 173.878 174.900 0.002 0.000 1.399 968 G CA -0.068 45.032 45.100 0.000 0.000 0.833 968 G HN 0.153 nan 8.290 nan 0.000 0.565 969 T N 0.154 114.709 114.554 0.002 0.000 2.867 969 T HA 0.660 5.018 4.350 0.013 0.000 0.282 969 T C 0.183 174.885 174.700 0.003 0.000 1.000 969 T CA -0.219 61.885 62.100 0.005 0.000 1.042 969 T CB 1.417 70.289 68.868 0.007 0.000 0.973 969 T HN 1.425 nan 8.240 nan 0.000 0.465 970 V N 1.694 121.612 119.914 0.006 0.000 2.604 970 V HA 0.670 4.798 4.120 0.013 0.000 0.305 970 V C -2.524 173.577 176.094 0.012 0.000 1.043 970 V CA -2.892 59.410 62.300 0.003 0.000 0.888 970 V CB 1.263 33.084 31.823 -0.004 0.000 0.995 970 V HN 0.653 nan 8.190 nan 0.000 0.429 971 P HA 0.251 nan 4.420 nan 0.000 0.268 971 P C -2.602 174.717 177.300 0.032 0.000 1.208 971 P CA -0.766 62.345 63.100 0.019 0.000 0.777 971 P CB 0.203 31.912 31.700 0.015 0.000 0.875 972 P HA 0.184 nan 4.420 nan 0.000 0.276 972 P C -0.564 176.738 177.300 0.002 0.000 1.252 972 P CA -0.350 62.769 63.100 0.031 0.000 0.802 972 P CB 0.647 32.360 31.700 0.022 0.000 1.035 973 A N 2.782 125.565 122.820 -0.061 0.000 2.371 973 A HA 0.336 4.663 4.320 0.013 0.000 0.257 973 A C 0.463 177.895 177.584 -0.253 0.000 1.089 973 A CA -0.446 51.465 52.037 -0.209 0.000 0.794 973 A CB 0.020 18.623 19.000 -0.662 0.000 1.029 973 A HN 0.384 nan 8.150 nan 0.000 0.488 974 R N 1.326 121.686 120.500 -0.234 0.000 2.265 974 R HA 0.503 4.851 4.340 0.013 0.000 0.319 974 R C -1.187 174.971 176.300 -0.238 0.000 1.006 974 R CA -0.393 55.601 56.100 -0.177 0.000 0.880 974 R CB 1.164 31.396 30.300 -0.113 0.000 1.077 974 R HN 0.413 nan 8.270 nan 0.000 0.454 975 V N 4.624 124.432 119.914 -0.178 0.000 2.604 975 V HA 0.457 4.585 4.120 0.013 0.000 0.305 975 V C -0.216 175.825 176.094 -0.089 0.000 1.043 975 V CA -0.874 61.339 62.300 -0.145 0.000 0.888 975 V CB 2.500 34.266 31.823 -0.096 0.000 0.995 975 V HN 0.559 nan 8.190 nan 0.000 0.429 976 L N 5.132 126.320 121.223 -0.057 0.000 2.343 976 L HA 0.668 5.016 4.340 0.013 0.000 0.278 976 L C -1.185 175.682 176.870 -0.006 0.000 0.996 976 L CA -0.519 54.270 54.840 -0.085 0.000 0.831 976 L CB 1.855 43.873 42.059 -0.067 0.000 1.232 976 L HN 0.454 nan 8.230 nan 0.000 0.413 977 V N 4.826 124.688 119.914 -0.087 0.000 2.370 977 V HA 0.379 4.507 4.120 0.013 0.000 0.283 977 V C -0.536 175.516 176.094 -0.070 0.000 1.023 977 V CA -0.384 61.929 62.300 0.022 0.000 0.857 977 V CB 1.419 33.254 31.823 0.019 0.000 0.985 977 V HN 0.425 nan 8.190 nan 0.000 0.443 978 F N 2.954 122.878 119.950 -0.044 0.000 2.385 978 F HA 0.731 5.265 4.527 0.013 0.000 0.360 978 F C 0.862 176.652 175.800 -0.017 0.000 1.122 978 F CA -0.256 57.715 58.000 -0.047 0.000 1.090 978 F CB 1.415 40.390 39.000 -0.041 0.000 1.150 978 F HN 0.773 nan 8.300 nan 0.000 0.472 979 G N 2.111 110.984 108.800 0.121 0.000 3.434 979 G HA2 0.004 3.971 3.960 0.013 0.000 0.686 979 G HA3 0.004 3.971 3.960 0.013 0.000 0.686 979 G C -1.053 173.901 174.900 0.090 0.000 1.099 979 G CA -1.138 44.027 45.100 0.109 0.000 0.931 979 G HN 0.575 nan 8.290 nan 0.000 0.520 980 V N 3.736 123.712 119.914 0.103 0.000 2.615 980 V HA 0.584 4.712 4.120 0.013 0.000 0.308 980 V C 1.510 177.654 176.094 0.083 0.000 1.257 980 V CA 0.673 63.035 62.300 0.104 0.000 1.454 980 V CB 0.007 31.924 31.823 0.157 0.000 1.537 980 V HN 1.207 nan 8.190 nan 0.000 0.566 981 G N 0.305 109.147 108.800 0.071 0.000 2.630 981 G HA2 0.348 4.316 3.960 0.013 0.000 0.223 981 G HA3 0.348 4.316 3.960 0.013 0.000 0.223 981 G C 1.127 176.058 174.900 0.051 0.000 1.434 981 G CA 0.121 45.255 45.100 0.056 0.000 1.057 981 G HN 0.091 nan 8.290 nan 0.000 0.570 982 V N 0.958 120.898 119.914 0.043 0.000 2.307 982 V HA -0.120 4.008 4.120 0.013 0.000 0.245 982 V C 3.307 179.432 176.094 0.052 0.000 1.045 982 V CA 2.452 64.777 62.300 0.041 0.000 1.024 982 V CB -1.104 30.738 31.823 0.032 0.000 0.651 982 V HN 0.729 nan 8.190 nan 0.000 0.449 983 A N 0.696 123.550 122.820 0.056 0.000 1.898 983 A HA -0.058 4.270 4.320 0.013 0.000 0.216 983 A C 2.428 180.053 177.584 0.069 0.000 1.181 983 A CA 1.890 53.966 52.037 0.064 0.000 0.620 983 A CB -1.258 17.779 19.000 0.062 0.000 0.819 983 A HN 0.521 nan 8.150 nan 0.000 0.442 984 G N -0.120 108.721 108.800 0.068 0.000 2.418 984 G HA2 -0.178 3.790 3.960 0.013 0.000 0.217 984 G HA3 -0.178 3.790 3.960 0.013 0.000 0.217 984 G C 1.539 176.480 174.900 0.068 0.000 1.158 984 G CA 1.069 46.211 45.100 0.071 0.000 0.771 984 G HN 0.435 nan 8.290 nan 0.000 0.545 985 L N -0.324 120.938 121.223 0.066 0.000 2.141 985 L HA -0.062 4.286 4.340 0.013 0.000 0.209 985 L C 2.894 179.804 176.870 0.066 0.000 1.094 985 L CA 1.051 55.929 54.840 0.063 0.000 0.763 985 L CB -0.229 41.863 42.059 0.054 0.000 0.908 985 L HN 0.218 nan 8.230 nan 0.000 0.437 986 Q N 0.065 119.908 119.800 0.073 0.000 2.172 986 Q HA -0.059 4.289 4.340 0.013 0.000 0.200 986 Q C 2.153 178.214 176.000 0.102 0.000 0.964 986 Q CA 1.571 57.429 55.803 0.090 0.000 0.855 986 Q CB -0.096 28.703 28.738 0.102 0.000 0.918 986 Q HN 0.421 nan 8.270 nan 0.000 0.444 987 A N 0.095 122.967 122.820 0.086 0.000 1.873 987 A HA -0.104 4.224 4.320 0.013 0.000 0.215 987 A C 2.076 179.708 177.584 0.080 0.000 1.186 987 A CA 1.272 53.356 52.037 0.077 0.000 0.616 987 A CB -0.650 18.393 19.000 0.070 0.000 0.823 987 A HN 0.424 nan 8.150 nan 0.000 0.442 988 I N -0.122 120.491 120.570 0.072 0.000 2.127 988 I HA -0.312 3.865 4.170 0.013 0.000 0.241 988 I C 3.022 179.183 176.117 0.074 0.000 1.075 988 I CA 1.220 62.559 61.300 0.065 0.000 1.334 988 I CB -0.462 37.571 38.000 0.056 0.000 1.040 988 I HN 0.361 nan 8.210 nan 0.000 0.405 989 A N 0.363 123.228 122.820 0.074 0.000 1.908 989 A HA -0.223 4.105 4.320 0.013 0.000 0.218 989 A C 2.371 180.010 177.584 0.090 0.000 1.181 989 A CA 2.618 54.700 52.037 0.075 0.000 0.627 989 A CB -1.135 17.907 19.000 0.070 0.000 0.818 989 A HN 0.434 nan 8.150 nan 0.000 0.445 990 T N -0.003 114.615 114.554 0.107 0.000 2.857 990 T HA 0.100 4.458 4.350 0.013 0.000 0.266 990 T C 2.191 176.945 174.700 0.089 0.000 1.048 990 T CA 1.298 63.465 62.100 0.113 0.000 1.139 990 T CB -0.343 68.599 68.868 0.124 0.000 0.874 990 T HN 0.584 nan 8.240 nan 0.000 0.455 991 A N 1.728 124.620 122.820 0.120 0.000 1.930 991 A HA -0.057 4.270 4.320 0.013 0.000 0.217 991 A C 2.319 180.017 177.584 0.190 0.000 1.175 991 A CA 1.072 53.240 52.037 0.218 0.000 0.627 991 A CB -0.249 18.887 19.000 0.225 0.000 0.815 991 A HN 0.163 nan 8.150 nan 0.000 0.443 992 K N -0.049 120.424 120.400 0.121 0.000 2.057 992 K HA -0.063 4.265 4.320 0.013 0.000 0.206 992 K C 2.140 178.797 176.600 0.096 0.000 1.050 992 K CA 1.216 57.560 56.287 0.096 0.000 0.935 992 K CB -0.384 32.158 32.500 0.069 0.000 0.715 992 K HN 0.476 nan 8.250 nan 0.000 0.439 993 R N 0.555 121.109 120.500 0.090 0.000 2.096 993 R HA -0.056 4.292 4.340 0.013 0.000 0.240 993 R C 2.224 178.576 176.300 0.086 0.000 1.139 993 R CA 1.111 57.258 56.100 0.078 0.000 0.952 993 R CB -0.402 29.945 30.300 0.077 0.000 0.854 993 R HN 0.112 nan 8.270 nan 0.000 0.436 994 L N 0.266 121.550 121.223 0.103 0.000 2.675 994 L HA 0.023 4.371 4.340 0.013 0.000 0.238 994 L C 0.779 177.765 176.870 0.194 0.000 1.155 994 L CA 0.498 55.409 54.840 0.120 0.000 0.881 994 L CB -0.146 41.941 42.059 0.047 0.000 1.008 994 L HN 0.578 nan 8.230 nan 0.000 0.443 995 G N -0.077 108.815 108.800 0.154 0.000 2.160 995 G HA2 -0.240 3.728 3.960 0.013 0.000 0.244 995 G HA3 -0.240 3.728 3.960 0.013 0.000 0.244 995 G C 0.258 175.236 174.900 0.130 0.000 1.022 995 G CA 0.128 45.306 45.100 0.129 0.000 0.741 995 G HN 0.528 nan 8.290 nan 0.000 0.508 996 A N -0.919 121.991 122.820 0.150 0.000 2.264 996 A HA 0.818 5.145 4.320 0.013 0.000 0.304 996 A C 0.470 178.063 177.584 0.016 0.000 1.100 996 A CA -0.141 51.927 52.037 0.053 0.000 0.839 996 A CB 1.407 20.427 19.000 0.033 0.000 1.121 996 A HN 1.148 nan 8.150 nan 0.000 0.496 997 V N 1.876 121.771 119.914 -0.033 0.000 2.368 997 V HA 0.308 4.436 4.120 0.013 0.000 0.266 997 V C -0.216 175.854 176.094 -0.040 0.000 1.045 997 V CA -0.163 62.121 62.300 -0.027 0.000 0.899 997 V CB 0.683 32.484 31.823 -0.036 0.000 1.006 997 V HN 0.538 nan 8.190 nan 0.000 0.470 998 V N 6.990 126.893 119.914 -0.018 0.000 2.435 998 V HA 0.599 4.727 4.120 0.013 0.000 0.290 998 V C -0.041 176.029 176.094 -0.040 0.000 1.030 998 V CA -0.510 61.775 62.300 -0.024 0.000 0.881 998 V CB 1.644 33.473 31.823 0.010 0.000 0.983 998 V HN 0.793 nan 8.190 nan 0.000 0.445 999 M N 3.553 123.106 119.600 -0.077 0.000 2.591 999 M HA 0.886 5.373 4.480 0.013 0.000 0.306 999 M C -0.283 175.912 176.300 -0.176 0.000 1.190 999 M CA -0.171 55.057 55.300 -0.120 0.000 0.889 999 M CB 2.256 34.766 32.600 -0.151 0.000 1.728 999 M HN 0.814 nan 8.290 nan 0.000 0.458 1000 A N 0.301 122.974 122.820 -0.245 0.000 2.569 1000 A HA 0.967 5.295 4.320 0.013 0.000 0.290 1000 A C -1.012 176.183 177.584 -0.649 0.000 1.136 1000 A CA -0.607 51.236 52.037 -0.323 0.000 0.710 1000 A CB 1.938 20.862 19.000 -0.126 0.000 1.303 1000 A HN 0.697 nan 8.150 nan 0.000 0.413 1001 T N -0.515 113.640 114.554 -0.665 0.000 2.853 1001 T HA 0.647 5.004 4.350 0.013 0.000 0.311 1001 T C -2.357 172.120 174.700 -0.373 0.000 1.307 1001 T CA -0.252 61.319 62.100 -0.882 0.000 1.019 1001 T CB 1.823 70.259 68.868 -0.720 0.000 1.264 1001 T HN 0.974 nan 8.240 nan 0.000 0.497 1002 D N 0.303 120.615 120.400 -0.148 0.000 2.783 1002 D HA 0.155 4.803 4.640 0.013 0.000 0.253 1002 D C 1.152 177.595 176.300 0.237 0.000 1.206 1002 D CA -0.012 54.078 54.000 0.151 0.000 0.740 1002 D CB 1.524 42.490 40.800 0.276 0.000 1.313 1002 D HN 0.469 nan 8.370 nan 0.000 0.427 1003 V N 0.507 120.514 119.914 0.155 0.000 2.407 1003 V HA 0.217 4.345 4.120 0.013 0.000 0.245 1003 V C 1.159 177.320 176.094 0.112 0.000 1.041 1003 V CA 0.582 62.957 62.300 0.125 0.000 1.040 1003 V CB -0.567 31.305 31.823 0.082 0.000 0.671 1003 V HN 0.379 nan 8.190 nan 0.000 0.455 1004 R N 1.567 122.124 120.500 0.095 0.000 2.570 1004 R HA 0.420 4.768 4.340 0.013 0.000 0.277 1004 R C 0.310 176.611 176.300 0.002 0.000 1.039 1004 R CA 0.580 56.707 56.100 0.046 0.000 1.065 1004 R CB 0.353 30.675 30.300 0.037 0.000 0.964 1004 R HN 0.520 nan 8.270 nan 0.000 0.428 1005 A N 2.178 124.978 122.820 -0.033 0.000 3.202 1005 A HA 0.414 4.742 4.320 0.013 0.000 0.258 1005 A C 0.804 178.317 177.584 -0.118 0.000 1.572 1005 A CA 0.294 52.272 52.037 -0.098 0.000 1.241 1005 A CB -0.132 18.831 19.000 -0.063 0.000 1.127 1005 A HN 0.853 nan 8.150 nan 0.000 0.648 1006 A N -0.635 122.103 122.820 -0.136 0.000 2.574 1006 A HA 0.153 4.480 4.320 0.013 0.000 0.170 1006 A C 1.700 179.209 177.584 -0.124 0.000 1.617 1006 A CA 0.994 52.964 52.037 -0.111 0.000 1.189 1006 A CB -0.521 18.445 19.000 -0.056 0.000 1.496 1006 A HN 0.842 nan 8.150 nan 0.000 0.505 1007 T N -1.452 113.019 114.554 -0.137 0.000 3.085 1007 T HA 0.015 4.373 4.350 0.013 0.000 0.263 1007 T C 1.614 176.210 174.700 -0.172 0.000 1.127 1007 T CA 1.439 63.494 62.100 -0.074 0.000 1.103 1007 T CB -0.154 68.762 68.868 0.079 0.000 0.921 1007 T HN 0.420 nan 8.240 nan 0.000 0.510 1008 K N 1.063 121.162 120.400 -0.503 0.000 2.057 1008 K HA -0.129 4.199 4.320 0.013 0.000 0.206 1008 K C 2.080 178.570 176.600 -0.183 0.000 1.050 1008 K CA 1.476 57.421 56.287 -0.570 0.000 0.935 1008 K CB -0.089 31.957 32.500 -0.757 0.000 0.715 1008 K HN 0.222 nan 8.250 nan 0.000 0.439 1009 E N 0.742 120.852 120.200 -0.150 0.000 2.204 1009 E HA -0.168 4.190 4.350 0.013 0.000 0.195 1009 E C 1.947 178.528 176.600 -0.032 0.000 0.990 1009 E CA 1.284 57.640 56.400 -0.073 0.000 0.821 1009 E CB 0.082 29.743 29.700 -0.066 0.000 0.750 1009 E HN 0.421 nan 8.360 nan 0.000 0.477 1010 Q N -0.550 119.236 119.800 -0.024 0.000 2.123 1010 Q HA -0.021 4.327 4.340 0.013 0.000 0.196 1010 Q C 2.212 178.237 176.000 0.041 0.000 0.958 1010 Q CA 1.010 56.821 55.803 0.012 0.000 0.841 1010 Q CB 0.101 28.851 28.738 0.019 0.000 0.915 1010 Q HN 0.144 nan 8.270 nan 0.000 0.455 1011 V N 1.853 121.812 119.914 0.076 0.000 2.220 1011 V HA -0.276 3.852 4.120 0.013 0.000 0.246 1011 V C 1.844 177.986 176.094 0.080 0.000 1.049 1011 V CA 2.115 64.485 62.300 0.117 0.000 1.003 1011 V CB -0.582 31.391 31.823 0.251 0.000 0.634 1011 V HN 0.371 nan 8.190 nan 0.000 0.444 1012 E N -0.171 120.072 120.200 0.072 0.000 2.401 1012 E HA -0.180 4.178 4.350 0.013 0.000 0.199 1012 E C 2.253 178.871 176.600 0.030 0.000 1.023 1012 E CA 1.128 57.556 56.400 0.048 0.000 0.859 1012 E CB -0.170 29.551 29.700 0.035 0.000 0.780 1012 E HN 0.528 nan 8.360 nan 0.000 0.523 1013 S N 0.282 115.998 115.700 0.027 0.000 2.414 1013 S HA 0.026 4.504 4.470 0.013 0.000 0.227 1013 S C 1.661 176.277 174.600 0.026 0.000 1.022 1013 S CA 0.323 58.535 58.200 0.020 0.000 0.958 1013 S CB 0.149 63.357 63.200 0.015 0.000 0.797 1013 S HN 0.197 nan 8.310 nan 0.000 0.493 1014 L N 0.546 121.790 121.223 0.035 0.000 2.592 1014 L HA 0.321 4.669 4.340 0.013 0.000 0.227 1014 L C 1.602 178.495 176.870 0.038 0.000 1.127 1014 L CA 0.489 55.352 54.840 0.038 0.000 0.884 1014 L CB -0.152 41.934 42.059 0.045 0.000 1.065 1014 L HN 0.553 nan 8.230 nan 0.000 0.457 1015 G N -0.146 108.675 108.800 0.035 0.000 2.159 1015 G HA2 -0.187 3.781 3.960 0.013 0.000 0.227 1015 G HA3 -0.187 3.781 3.960 0.013 0.000 0.227 1015 G C 0.393 175.312 174.900 0.032 0.000 0.986 1015 G CA -0.286 44.833 45.100 0.033 0.000 0.651 1015 G HN 0.492 nan 8.290 nan 0.000 0.523 1016 G N -0.317 108.506 108.800 0.038 0.000 2.410 1016 G HA2 0.642 4.610 3.960 0.013 0.000 0.330 1016 G HA3 0.642 4.610 3.960 0.013 0.000 0.330 1016 G C -0.489 174.437 174.900 0.043 0.000 1.142 1016 G CA -0.727 44.393 45.100 0.032 0.000 0.902 1016 G HN 0.258 nan 8.290 nan 0.000 0.491 1017 K N 0.544 120.958 120.400 0.024 0.000 2.211 1017 K HA 0.333 4.661 4.320 0.013 0.000 0.275 1017 K C -0.958 175.670 176.600 0.046 0.000 1.024 1017 K CA -0.476 55.834 56.287 0.039 0.000 0.887 1017 K CB 1.507 34.012 32.500 0.007 0.000 1.084 1017 K HN 0.338 nan 8.250 nan 0.000 0.463 1018 F N 5.679 125.603 119.950 -0.042 0.000 2.368 1018 F HA 0.280 4.814 4.527 0.011 0.000 0.362 1018 F C 0.248 176.013 175.800 -0.058 0.000 1.137 1018 F CA -1.235 56.733 58.000 -0.054 0.000 1.161 1018 F CB -0.070 38.906 39.000 -0.040 0.000 1.265 1018 F HN 0.507 nan 8.300 nan 0.000 0.530 1047 Q N 0.001 119.811 119.800 0.015 0.000 2.436 1047 Q HA 0.173 4.520 4.340 0.013 0.000 0.209 1047 Q C 1.485 177.490 176.000 0.008 0.000 0.965 1047 Q CA 1.141 56.953 55.803 0.015 0.000 0.910 1047 Q CB 0.070 28.823 28.738 0.026 0.000 0.980 1047 Q HN 0.278 nan 8.270 nan 0.000 0.491 1048 A N 2.154 124.981 122.820 0.012 0.000 1.872 1048 A HA -0.163 4.165 4.320 0.013 0.000 0.214 1048 A C 2.037 179.624 177.584 0.006 0.000 1.187 1048 A CA 1.078 53.123 52.037 0.015 0.000 0.614 1048 A CB -0.315 18.694 19.000 0.015 0.000 0.826 1048 A HN 0.337 nan 8.150 nan 0.000 0.442 1049 E N -0.068 120.133 120.200 0.001 0.000 2.085 1049 E HA -0.207 4.151 4.350 0.013 0.000 0.194 1049 E C 2.339 178.930 176.600 -0.015 0.000 0.994 1049 E CA 0.998 57.395 56.400 -0.005 0.000 0.801 1049 E CB -0.351 29.346 29.700 -0.004 0.000 0.743 1049 E HN 0.603 nan 8.360 nan 0.000 0.453 1050 A N 1.003 123.811 122.820 -0.021 0.000 1.884 1050 A HA -0.226 4.101 4.320 0.013 0.000 0.219 1050 A C 2.532 180.072 177.584 -0.073 0.000 1.197 1050 A CA 1.905 53.915 52.037 -0.045 0.000 0.637 1050 A CB -0.865 18.105 19.000 -0.050 0.000 0.827 1050 A HN 0.143 nan 8.150 nan 0.000 0.450 1051 V N -0.392 119.486 119.914 -0.061 0.000 2.283 1051 V HA -0.189 3.939 4.120 0.013 0.000 0.243 1051 V C 2.503 178.593 176.094 -0.008 0.000 1.039 1051 V CA 1.681 63.945 62.300 -0.061 0.000 1.016 1051 V CB -0.734 31.106 31.823 0.029 0.000 0.650 1051 V HN 0.580 nan 8.190 nan 0.000 0.449 1052 L N -0.049 121.183 121.223 0.014 0.000 2.081 1052 L HA -0.265 4.083 4.340 0.013 0.000 0.212 1052 L C 2.631 179.500 176.870 -0.003 0.000 1.080 1052 L CA 1.996 56.845 54.840 0.016 0.000 0.754 1052 L CB -0.390 41.674 42.059 0.009 0.000 0.893 1052 L HN 0.366 nan 8.230 nan 0.000 0.433 1053 K N -0.567 119.823 120.400 -0.016 0.000 2.147 1053 K HA -0.198 4.130 4.320 0.013 0.000 0.205 1053 K C 1.950 178.533 176.600 -0.029 0.000 1.049 1053 K CA 1.194 57.468 56.287 -0.021 0.000 0.936 1053 K CB 0.182 32.667 32.500 -0.024 0.000 0.722 1053 K HN 0.219 nan 8.250 nan 0.000 0.446 1054 E N 0.401 120.575 120.200 -0.044 0.000 2.122 1054 E HA -0.101 4.257 4.350 0.013 0.000 0.190 1054 E C 1.901 178.480 176.600 -0.035 0.000 0.977 1054 E CA 0.402 56.767 56.400 -0.057 0.000 0.820 1054 E CB -0.074 29.563 29.700 -0.105 0.000 0.770 1054 E HN 0.193 nan 8.360 nan 0.000 0.462 1055 L N 1.254 122.474 121.223 -0.005 0.000 2.131 1055 L HA -0.143 4.205 4.340 0.013 0.000 0.210 1055 L C 2.376 179.252 176.870 0.010 0.000 1.092 1055 L CA 1.194 56.053 54.840 0.032 0.000 0.759 1055 L CB -0.450 41.661 42.059 0.086 0.000 0.903 1055 L HN 0.033 nan 8.230 nan 0.000 0.435 1056 V N -3.898 116.016 119.914 0.000 0.000 2.913 1056 V HA -0.173 3.955 4.120 0.013 0.000 0.260 1056 V C 2.051 178.141 176.094 -0.007 0.000 1.098 1056 V CA 1.699 63.997 62.300 -0.004 0.000 1.121 1056 V CB -0.951 30.868 31.823 -0.006 0.000 0.714 1056 V HN 0.459 nan 8.190 nan 0.000 0.487 1057 K N -0.027 120.364 120.400 -0.015 0.000 2.354 1057 K HA 0.214 4.542 4.320 0.013 0.000 0.194 1057 K C 0.695 177.275 176.600 -0.033 0.000 1.038 1057 K CA 0.123 56.398 56.287 -0.020 0.000 1.052 1057 K CB 0.358 32.843 32.500 -0.025 0.000 0.861 1057 K HN 0.425 nan 8.250 nan 0.000 0.535 1058 T N 2.067 116.598 114.554 -0.038 0.000 2.916 1058 T HA 0.008 4.365 4.350 0.013 0.000 0.303 1058 T C 0.388 175.033 174.700 -0.091 0.000 1.025 1058 T CA 0.134 62.195 62.100 -0.066 0.000 1.142 1058 T CB 0.867 69.714 68.868 -0.036 0.000 0.947 1058 T HN 0.077 nan 8.240 nan 0.000 0.544 1059 D N 1.160 121.450 120.400 -0.184 0.000 2.323 1059 D HA 0.108 4.756 4.640 0.013 0.000 0.218 1059 D C 0.409 176.460 176.300 -0.416 0.000 0.973 1059 D CA 0.665 54.488 54.000 -0.295 0.000 0.890 1059 D CB 0.508 41.028 40.800 -0.466 0.000 1.011 1059 D HN 0.322 nan 8.370 nan 0.000 0.499 1060 I N 1.270 121.607 120.570 -0.389 0.000 2.447 1060 I HA 0.441 4.619 4.170 0.013 0.000 0.287 1060 I C -0.441 175.615 176.117 -0.101 0.000 1.023 1060 I CA -1.041 60.094 61.300 -0.274 0.000 1.083 1060 I CB 1.386 39.203 38.000 -0.305 0.000 1.245 1060 I HN -0.244 nan 8.210 nan 0.000 0.434 1061 A N 8.013 130.817 122.820 -0.027 0.000 2.303 1061 A HA 0.846 5.174 4.320 0.013 0.000 0.320 1061 A C -0.509 177.116 177.584 0.069 0.000 1.192 1061 A CA -0.453 51.632 52.037 0.079 0.000 0.821 1061 A CB 0.761 19.813 19.000 0.087 0.000 1.188 1061 A HN 0.637 nan 8.150 nan 0.000 0.492 1062 I N 2.840 123.493 120.570 0.140 0.000 2.382 1062 I HA 0.348 4.525 4.170 0.013 0.000 0.286 1062 I C 0.203 176.412 176.117 0.153 0.000 1.002 1062 I CA -0.352 61.010 61.300 0.104 0.000 1.135 1062 I CB 2.187 40.243 38.000 0.093 0.000 1.288 1062 I HN 0.685 nan 8.210 nan 0.000 0.448 1063 T N 0.501 115.082 114.554 0.044 0.000 2.770 1063 T HA 0.380 4.738 4.350 0.013 0.000 0.283 1063 T C 0.518 175.240 174.700 0.037 0.000 0.988 1063 T CA -0.489 61.621 62.100 0.017 0.000 0.957 1063 T CB 1.352 70.117 68.868 -0.173 0.000 0.930 1063 T HN 0.728 nan 8.240 nan 0.000 0.443 1064 T N -0.551 114.050 114.554 0.078 0.000 3.043 1064 T HA 0.525 4.883 4.350 0.013 0.000 0.272 1064 T C 0.863 175.599 174.700 0.059 0.000 0.990 1064 T CA -0.037 62.101 62.100 0.063 0.000 0.897 1064 T CB -0.034 68.879 68.868 0.074 0.000 1.111 1064 T HN 0.968 nan 8.240 nan 0.000 0.529 1065 A N 1.737 124.595 122.820 0.063 0.000 2.488 1065 A HA 0.671 4.999 4.320 0.013 0.000 0.249 1065 A C -0.184 177.422 177.584 0.037 0.000 1.083 1065 A CA -0.054 52.017 52.037 0.058 0.000 0.768 1065 A CB -0.062 18.979 19.000 0.067 0.000 1.017 1065 A HN 0.641 nan 8.150 nan 0.000 0.496 1066 L N 1.423 122.669 121.223 0.038 0.000 2.403 1066 L HA 0.613 4.961 4.340 0.013 0.000 0.253 1066 L C -0.827 176.061 176.870 0.029 0.000 1.045 1066 L CA -0.584 54.274 54.840 0.030 0.000 0.845 1066 L CB 2.285 44.362 42.059 0.031 0.000 1.447 1066 L HN 0.624 nan 8.230 nan 0.000 0.411 1067 I N 1.689 122.274 120.570 0.025 0.000 2.649 1067 I HA 0.210 4.388 4.170 0.013 0.000 0.275 1067 I C -2.434 173.696 176.117 0.021 0.000 1.180 1067 I CA -1.340 59.974 61.300 0.023 0.000 1.049 1067 I CB 1.792 39.805 38.000 0.022 0.000 1.234 1067 I HN 0.228 nan 8.210 nan 0.000 0.506 1068 P HA -0.082 nan 4.420 nan 0.000 0.262 1068 P C 1.034 178.346 177.300 0.020 0.000 1.151 1068 P CA 1.315 64.426 63.100 0.019 0.000 0.757 1068 P CB 0.391 32.098 31.700 0.013 0.000 0.754 1069 G N 1.548 110.362 108.800 0.022 0.000 2.153 1069 G HA2 -0.266 3.702 3.960 0.013 0.000 0.252 1069 G HA3 -0.266 3.702 3.960 0.013 0.000 0.252 1069 G C -0.073 174.839 174.900 0.020 0.000 0.994 1069 G CA 0.268 45.382 45.100 0.023 0.000 0.698 1069 G HN 0.603 nan 8.290 nan 0.000 0.521 1070 K N -0.713 119.698 120.400 0.018 0.000 2.555 1070 K HA 0.495 4.823 4.320 0.013 0.000 0.279 1070 K C -2.995 173.613 176.600 0.013 0.000 0.986 1070 K CA -2.094 54.202 56.287 0.015 0.000 0.880 1070 K CB 1.858 34.367 32.500 0.015 0.000 1.474 1070 K HN -0.062 nan 8.250 nan 0.000 0.433 1071 P HA 0.014 nan 4.420 nan 0.000 0.267 1071 P C -1.045 176.259 177.300 0.006 0.000 1.200 1071 P CA -0.169 62.935 63.100 0.006 0.000 0.772 1071 P CB 0.455 32.157 31.700 0.003 0.000 0.855 1072 A N 4.849 127.671 122.820 0.003 0.000 2.511 1072 A HA 0.298 4.626 4.320 0.013 0.000 0.242 1072 A C -1.844 175.739 177.584 -0.001 0.000 1.069 1072 A CA -0.979 51.060 52.037 0.003 0.000 0.763 1072 A CB -1.055 17.943 19.000 -0.003 0.000 1.001 1072 A HN 0.440 nan 8.150 nan 0.000 0.498 1073 P HA 0.072 nan 4.420 nan 0.000 0.266 1073 P C -0.485 176.807 177.300 -0.014 0.000 1.195 1073 P CA 0.070 63.172 63.100 0.004 0.000 0.768 1073 P CB 0.568 32.279 31.700 0.019 0.000 0.838 1074 V N 5.216 125.119 119.914 -0.018 0.000 2.389 1074 V HA 0.052 4.179 4.120 0.013 0.000 0.264 1074 V C 1.605 177.671 176.094 -0.046 0.000 1.049 1074 V CA 0.246 62.523 62.300 -0.038 0.000 0.932 1074 V CB 0.224 32.030 31.823 -0.029 0.000 1.011 1074 V HN 0.493 nan 8.190 nan 0.000 0.475 1075 L N 5.189 126.352 121.223 -0.099 0.000 2.500 1075 L HA 0.417 4.765 4.340 0.013 0.000 0.219 1075 L C 0.430 177.178 176.870 -0.204 0.000 1.057 1075 L CA 0.622 55.386 54.840 -0.128 0.000 0.854 1075 L CB 0.379 42.322 42.059 -0.193 0.000 1.078 1075 L HN 0.427 nan 8.230 nan 0.000 0.480 1076 I N 0.998 121.417 120.570 -0.252 0.000 2.464 1076 I HA 0.149 4.327 4.170 0.013 0.000 0.277 1076 I C 0.257 176.305 176.117 -0.115 0.000 1.040 1076 I CA -0.370 60.802 61.300 -0.214 0.000 1.153 1076 I CB 1.610 39.423 38.000 -0.313 0.000 1.274 1076 I HN 0.068 nan 8.210 nan 0.000 0.469 1077 T N 0.081 114.594 114.554 -0.069 0.000 2.828 1077 T HA 0.136 4.494 4.350 0.013 0.000 0.290 1077 T C 1.079 175.761 174.700 -0.030 0.000 1.019 1077 T CA -0.412 61.663 62.100 -0.042 0.000 1.031 1077 T CB 1.819 70.670 68.868 -0.028 0.000 1.001 1077 T HN 0.679 nan 8.240 nan 0.000 0.531 1078 E N 0.199 120.394 120.200 -0.010 0.000 2.118 1078 E HA -0.267 4.091 4.350 0.013 0.000 0.195 1078 E C 1.967 178.544 176.600 -0.038 0.000 0.992 1078 E CA 1.667 58.079 56.400 0.019 0.000 0.804 1078 E CB -0.129 29.606 29.700 0.057 0.000 0.741 1078 E HN 0.895 nan 8.360 nan 0.000 0.458 1079 E N 0.203 120.374 120.200 -0.048 0.000 2.058 1079 E HA -0.241 4.117 4.350 0.013 0.000 0.194 1079 E C 2.037 178.593 176.600 -0.074 0.000 0.997 1079 E CA 2.023 58.379 56.400 -0.073 0.000 0.801 1079 E CB -0.139 29.534 29.700 -0.045 0.000 0.746 1079 E HN 0.352 nan 8.360 nan 0.000 0.450 1080 M N -0.148 119.424 119.600 -0.047 0.000 2.229 1080 M HA -0.106 4.382 4.480 0.013 0.000 0.264 1080 M C 2.163 178.442 176.300 -0.036 0.000 1.063 1080 M CA 0.771 56.052 55.300 -0.033 0.000 1.114 1080 M CB 0.136 32.725 32.600 -0.017 0.000 1.387 1080 M HN 0.072 nan 8.290 nan 0.000 0.420 1081 V N 0.378 120.270 119.914 -0.037 0.000 2.427 1081 V HA -0.201 3.927 4.120 0.013 0.000 0.248 1081 V C 2.626 178.695 176.094 -0.041 0.000 1.051 1081 V CA 2.223 64.519 62.300 -0.007 0.000 1.048 1081 V CB -1.271 30.588 31.823 0.060 0.000 0.666 1081 V HN 0.628 nan 8.190 nan 0.000 0.456 1082 T N -2.050 112.395 114.554 -0.183 0.000 3.007 1082 T HA -0.162 4.195 4.350 0.013 0.000 0.270 1082 T C 1.553 176.175 174.700 -0.131 0.000 1.107 1082 T CA 1.121 63.033 62.100 -0.312 0.000 1.118 1082 T CB -0.289 68.278 68.868 -0.501 0.000 0.889 1082 T HN 0.482 nan 8.240 nan 0.000 0.506 1083 K N -0.067 120.285 120.400 -0.079 0.000 2.393 1083 K HA 0.327 4.654 4.320 0.013 0.000 0.193 1083 K C 0.594 177.184 176.600 -0.017 0.000 1.026 1083 K CA -0.066 56.195 56.287 -0.043 0.000 1.064 1083 K CB 0.055 32.535 32.500 -0.034 0.000 0.833 1083 K HN 0.430 nan 8.250 nan 0.000 0.521 1084 M N 2.116 121.712 119.600 -0.008 0.000 2.228 1084 M HA 0.061 4.549 4.480 0.013 0.000 0.326 1084 M C 0.220 176.530 176.300 0.018 0.000 1.122 1084 M CA -0.140 55.164 55.300 0.008 0.000 1.161 1084 M CB 0.726 33.334 32.600 0.013 0.000 1.437 1084 M HN -0.057 nan 8.290 nan 0.000 0.465 1085 K N 1.649 122.062 120.400 0.021 0.000 2.368 1085 K HA 0.359 4.687 4.320 0.013 0.000 0.282 1085 K C -2.840 173.788 176.600 0.047 0.000 1.035 1085 K CA -1.591 54.715 56.287 0.031 0.000 0.973 1085 K CB -0.100 32.420 32.500 0.033 0.000 0.957 1085 K HN 0.186 nan 8.250 nan 0.000 0.474 1086 P HA -0.021 nan 4.420 nan 0.000 0.266 1086 P C 0.611 177.952 177.300 0.069 0.000 1.195 1086 P CA 0.977 64.109 63.100 0.054 0.000 0.768 1086 P CB 0.705 32.430 31.700 0.041 0.000 0.838 1087 G N 1.038 109.887 108.800 0.082 0.000 2.213 1087 G HA2 -0.214 3.753 3.960 0.013 0.000 0.226 1087 G HA3 -0.214 3.753 3.960 0.013 0.000 0.226 1087 G C 0.451 175.480 174.900 0.215 0.000 0.992 1087 G CA -0.058 45.117 45.100 0.125 0.000 0.632 1087 G HN 0.569 nan 8.290 nan 0.000 0.511 1088 S N -0.541 115.242 115.700 0.139 0.000 2.600 1088 S HA 0.600 5.078 4.470 0.013 0.000 0.265 1088 S C 0.338 174.964 174.600 0.044 0.000 1.325 1088 S CA 0.190 58.433 58.200 0.072 0.000 1.002 1088 S CB 2.068 65.277 63.200 0.015 0.000 0.921 1088 S HN 0.893 nan 8.310 nan 0.000 0.554 1089 V N 1.892 121.783 119.914 -0.039 0.000 2.735 1089 V HA 0.531 4.659 4.120 0.013 0.000 0.310 1089 V C -0.597 175.475 176.094 -0.037 0.000 1.061 1089 V CA -0.603 61.688 62.300 -0.015 0.000 0.913 1089 V CB 1.660 33.486 31.823 0.005 0.000 1.005 1089 V HN 0.722 nan 8.190 nan 0.000 0.428 1090 I N 4.779 125.335 120.570 -0.023 0.000 2.439 1090 I HA 0.435 4.613 4.170 0.013 0.000 0.285 1090 I C -0.955 175.142 176.117 -0.033 0.000 1.021 1090 I CA -0.456 60.822 61.300 -0.037 0.000 1.091 1090 I CB 1.830 39.796 38.000 -0.056 0.000 1.242 1090 I HN 0.345 nan 8.210 nan 0.000 0.439 1091 I N 5.135 125.693 120.570 -0.019 0.000 2.306 1091 I HA 0.176 4.354 4.170 0.013 0.000 0.288 1091 I C -0.115 175.987 176.117 -0.025 0.000 1.036 1091 I CA -0.085 61.208 61.300 -0.012 0.000 1.221 1091 I CB 0.979 38.993 38.000 0.022 0.000 1.385 1091 I HN 0.521 nan 8.210 nan 0.000 0.472 1092 D N 6.629 127.002 120.400 -0.045 0.000 2.500 1092 D HA 0.120 4.768 4.640 0.013 0.000 0.219 1092 D C 0.953 177.238 176.300 -0.025 0.000 1.137 1092 D CA -0.425 53.545 54.000 -0.050 0.000 0.946 1092 D CB 0.937 41.696 40.800 -0.067 0.000 1.022 1092 D HN 0.247 nan 8.370 nan 0.000 0.518 1093 L N 2.753 123.974 121.223 -0.005 0.000 2.362 1093 L HA 0.023 4.371 4.340 0.013 0.000 0.219 1093 L C 1.969 178.845 176.870 0.010 0.000 1.134 1093 L CA 0.945 55.794 54.840 0.014 0.000 0.807 1093 L CB -0.304 41.773 42.059 0.029 0.000 0.927 1093 L HN 0.454 nan 8.230 nan 0.000 0.447 1094 A N -2.001 120.817 122.820 -0.003 0.000 2.379 1094 A HA 0.120 4.448 4.320 0.013 0.000 0.236 1094 A C 2.090 179.667 177.584 -0.011 0.000 1.272 1094 A CA 0.445 52.480 52.037 -0.002 0.000 0.886 1094 A CB -0.435 18.562 19.000 -0.005 0.000 0.962 1094 A HN 0.118 nan 8.150 nan 0.000 0.504 1095 V N 0.454 120.358 119.914 -0.017 0.000 2.380 1095 V HA -0.295 3.833 4.120 0.013 0.000 0.251 1095 V C 2.033 178.117 176.094 -0.016 0.000 1.063 1095 V CA 2.851 65.137 62.300 -0.023 0.000 1.055 1095 V CB -0.388 31.417 31.823 -0.029 0.000 0.657 1095 V HN 0.762 nan 8.190 nan 0.000 0.455 1096 E N 0.080 120.275 120.200 -0.009 0.000 2.347 1096 E HA 0.038 4.395 4.350 0.013 0.000 0.196 1096 E C 1.670 178.267 176.600 -0.005 0.000 1.008 1096 E CA 0.864 57.258 56.400 -0.009 0.000 0.852 1096 E CB -0.194 29.500 29.700 -0.010 0.000 0.783 1096 E HN 0.667 nan 8.360 nan 0.000 0.505 1097 A N -0.000 122.819 122.820 -0.002 0.000 2.507 1097 A HA 0.491 4.819 4.320 0.013 0.000 0.270 1097 A C 1.333 178.915 177.584 -0.003 0.000 1.318 1097 A CA 0.442 52.480 52.037 0.002 0.000 0.924 1097 A CB 0.062 19.068 19.000 0.009 0.000 1.061 1097 A HN 0.277 nan 8.150 nan 0.000 0.516 1098 G N -1.740 107.055 108.800 -0.009 0.000 2.307 1098 G HA2 0.312 4.280 3.960 0.013 0.000 0.210 1098 G HA3 0.312 4.280 3.960 0.013 0.000 0.210 1098 G C 1.246 176.132 174.900 -0.022 0.000 1.005 1098 G CA 0.390 45.481 45.100 -0.014 0.000 0.634 1098 G HN 2.435 nan 8.290 nan 0.000 0.496 1099 G N -0.351 108.434 108.800 -0.024 0.000 2.777 1099 G HA2 0.064 4.032 3.960 0.013 0.000 0.686 1099 G HA3 0.064 4.032 3.960 0.013 0.000 0.686 1099 G C 0.113 174.984 174.900 -0.049 0.000 1.177 1099 G CA 0.396 45.473 45.100 -0.038 0.000 0.775 1099 G HN 0.825 nan 8.290 nan 0.000 0.613 1100 N N -0.852 117.806 118.700 -0.070 0.000 2.422 1100 N HA 0.038 4.786 4.740 0.013 0.000 0.181 1100 N C 0.526 175.958 175.510 -0.130 0.000 1.080 1100 N CA 1.107 54.097 53.050 -0.099 0.000 0.893 1100 N CB 0.432 38.841 38.487 -0.130 0.000 0.973 1100 N HN 0.732 nan 8.380 nan 0.000 0.456 1101 C N 2.846 122.080 119.300 -0.112 0.000 2.322 1101 C HA 0.370 4.838 4.460 0.013 0.000 0.324 1101 C C -1.329 173.621 174.990 -0.066 0.000 1.249 1101 C CA -1.976 56.980 59.018 -0.104 0.000 1.453 1101 C CB 1.241 28.913 27.740 -0.114 0.000 2.145 1101 C HN 0.174 nan 8.230 nan 0.000 0.466 1102 P HA -0.099 nan 4.420 nan 0.000 0.223 1102 P C 0.912 178.195 177.300 -0.028 0.000 1.144 1102 P CA 1.131 64.211 63.100 -0.033 0.000 0.783 1102 P CB 0.187 31.872 31.700 -0.024 0.000 0.771 1103 L N -0.233 120.972 121.223 -0.030 0.000 2.591 1103 L HA 0.088 4.436 4.340 0.013 0.000 0.228 1103 L C 1.428 178.275 176.870 -0.039 0.000 1.133 1103 L CA 0.400 55.224 54.840 -0.027 0.000 0.880 1103 L CB -0.957 41.093 42.059 -0.014 0.000 1.033 1103 L HN -0.028 nan 8.230 nan 0.000 0.450 1104 S N -0.651 115.021 115.700 -0.046 0.000 2.601 1104 S HA 0.510 4.988 4.470 0.013 0.000 0.271 1104 S C -0.071 174.501 174.600 -0.046 0.000 1.305 1104 S CA -0.647 57.521 58.200 -0.053 0.000 1.022 1104 S CB 1.237 64.401 63.200 -0.061 0.000 0.940 1104 S HN 0.251 nan 8.310 nan 0.000 0.525 1105 E N 1.492 121.661 120.200 -0.051 0.000 2.256 1105 E HA 0.367 4.725 4.350 0.013 0.000 0.268 1105 E C -2.917 173.656 176.600 -0.044 0.000 0.877 1105 E CA -2.468 53.907 56.400 -0.042 0.000 0.757 1105 E CB 1.817 31.495 29.700 -0.037 0.000 1.183 1105 E HN 0.397 nan 8.360 nan 0.000 0.418 1106 P HA -0.054 nan 4.420 nan 0.000 0.260 1106 P C 0.615 177.905 177.300 -0.018 0.000 1.172 1106 P CA 1.058 64.144 63.100 -0.024 0.000 0.760 1106 P CB 0.356 32.046 31.700 -0.017 0.000 0.773 1107 G N 1.639 110.435 108.800 -0.007 0.000 2.203 1107 G HA2 -0.298 3.670 3.960 0.013 0.000 0.263 1107 G HA3 -0.298 3.670 3.960 0.013 0.000 0.263 1107 G C 0.104 175.006 174.900 0.005 0.000 1.012 1107 G CA 0.335 45.449 45.100 0.024 0.000 0.749 1107 G HN 0.637 nan 8.290 nan 0.000 0.512 1108 K N -0.748 119.621 120.400 -0.052 0.000 2.435 1108 K HA 0.756 5.083 4.320 0.013 0.000 0.251 1108 K C -0.592 175.937 176.600 -0.118 0.000 0.954 1108 K CA -1.118 55.133 56.287 -0.060 0.000 0.820 1108 K CB 1.412 33.888 32.500 -0.041 0.000 1.292 1108 K HN 0.073 nan 8.250 nan 0.000 0.436 1109 I N 3.481 124.002 120.570 -0.082 0.000 2.382 1109 I HA 0.311 4.489 4.170 0.013 0.000 0.286 1109 I C -0.811 175.279 176.117 -0.044 0.000 1.002 1109 I CA -0.991 60.260 61.300 -0.082 0.000 1.135 1109 I CB 1.767 39.744 38.000 -0.039 0.000 1.288 1109 I HN 0.220 nan 8.210 nan 0.000 0.448 1110 V N 6.773 126.658 119.914 -0.048 0.000 2.864 1110 V HA 0.461 4.588 4.120 0.013 0.000 0.314 1110 V C -0.224 175.848 176.094 -0.037 0.000 1.073 1110 V CA -0.794 61.481 62.300 -0.041 0.000 0.956 1110 V CB 2.572 34.366 31.823 -0.048 0.000 1.023 1110 V HN 0.347 nan 8.190 nan 0.000 0.435 1111 V N 3.955 123.845 119.914 -0.040 0.000 2.334 1111 V HA 0.553 4.681 4.120 0.013 0.000 0.281 1111 V C -0.274 175.773 176.094 -0.078 0.000 1.016 1111 V CA -0.696 61.580 62.300 -0.039 0.000 0.832 1111 V CB 1.194 33.003 31.823 -0.023 0.000 0.999 1111 V HN 0.752 nan 8.190 nan 0.000 0.439 1112 K N 3.262 123.607 120.400 -0.092 0.000 2.397 1112 K HA 0.482 4.810 4.320 0.013 0.000 0.253 1112 K C 0.007 176.512 176.600 -0.158 0.000 0.932 1112 K CA -0.817 55.337 56.287 -0.223 0.000 0.795 1112 K CB 1.396 33.758 32.500 -0.229 0.000 1.159 1112 K HN 0.749 nan 8.250 nan 0.000 0.424 1113 H N 0.858 119.925 119.070 -0.006 0.000 2.713 1113 H HA -0.221 4.343 4.556 0.012 0.000 0.311 1113 H C 0.970 176.298 175.328 0.001 0.000 1.175 1113 H CA 1.289 57.334 56.048 -0.004 0.000 1.143 1113 H CB -1.489 28.269 29.762 -0.007 0.000 1.434 1113 H HN 1.139 nan 8.280 nan 0.000 0.418 1114 G N -1.540 107.291 108.800 0.051 0.000 2.189 1114 G HA2 -0.324 3.644 3.960 0.013 0.000 0.267 1114 G HA3 -0.324 3.644 3.960 0.013 0.000 0.267 1114 G C 0.322 175.250 174.900 0.046 0.000 0.975 1114 G CA 0.378 45.504 45.100 0.043 0.000 0.644 1114 G HN 0.527 nan 8.290 nan 0.000 0.537 1115 V N 1.091 121.033 119.914 0.046 0.000 2.394 1115 V HA 0.407 4.534 4.120 0.013 0.000 0.282 1115 V C 0.650 176.755 176.094 0.019 0.000 1.031 1115 V CA -0.846 61.478 62.300 0.040 0.000 0.881 1115 V CB 1.696 33.547 31.823 0.045 0.000 0.982 1115 V HN 0.275 nan 8.190 nan 0.000 0.451 1116 K N 5.080 125.497 120.400 0.027 0.000 2.339 1116 K HA 0.496 4.824 4.320 0.013 0.000 0.286 1116 K C -0.745 175.852 176.600 -0.005 0.000 1.050 1116 K CA -0.007 56.289 56.287 0.016 0.000 0.956 1116 K CB 0.754 33.280 32.500 0.042 0.000 0.990 1116 K HN 0.548 nan 8.250 nan 0.000 0.475 1117 I N 4.056 124.610 120.570 -0.027 0.000 2.405 1117 I HA 0.122 4.299 4.170 0.013 0.000 0.280 1117 I C -0.476 175.595 176.117 -0.076 0.000 1.027 1117 I CA -0.937 60.335 61.300 -0.047 0.000 1.161 1117 I CB 1.555 39.527 38.000 -0.046 0.000 1.300 1117 I HN 0.258 nan 8.210 nan 0.000 0.463 1118 V N 5.520 125.375 119.914 -0.098 0.000 2.394 1118 V HA 0.828 4.956 4.120 0.013 0.000 0.282 1118 V C 0.316 176.281 176.094 -0.213 0.000 1.031 1118 V CA 0.040 62.221 62.300 -0.198 0.000 0.881 1118 V CB 1.494 33.183 31.823 -0.223 0.000 0.982 1118 V HN 0.812 nan 8.190 nan 0.000 0.451 1119 G N 4.762 113.407 108.800 -0.259 0.000 4.713 1119 G HA2 0.343 4.311 3.960 0.013 0.000 0.318 1119 G HA3 0.343 4.311 3.960 0.013 0.000 0.318 1119 G C -0.419 174.401 174.900 -0.134 0.000 1.435 1119 G CA -0.493 44.514 45.100 -0.156 0.000 0.965 1119 G HN 0.948 nan 8.290 nan 0.000 0.542 1120 H N 0.754 119.814 119.070 -0.016 0.000 2.815 1120 H HA 0.185 4.749 4.556 0.013 0.000 0.350 1120 H C 1.955 177.269 175.328 -0.024 0.000 1.080 1120 H CA 0.827 56.862 56.048 -0.022 0.000 1.433 1120 H CB 1.501 31.246 29.762 -0.028 0.000 1.432 1120 H HN 0.430 nan 8.280 nan 0.000 0.592 1121 T N -0.203 114.415 114.554 0.106 0.000 2.995 1121 T HA -0.156 4.202 4.350 0.013 0.000 0.216 1121 T C 1.211 175.923 174.700 0.021 0.000 1.000 1121 T CA 0.166 62.288 62.100 0.038 0.000 2.118 1121 T CB -0.243 68.633 68.868 0.013 0.000 1.401 1121 T HN 0.453 nan 8.240 nan 0.000 0.389 1122 N N 1.939 120.635 118.700 -0.007 0.000 2.598 1122 N HA 0.050 4.798 4.740 0.013 0.000 0.300 1122 N C 1.043 176.542 175.510 -0.018 0.000 1.224 1122 N CA -0.094 52.939 53.050 -0.028 0.000 1.125 1122 N CB -0.504 37.952 38.487 -0.052 0.000 1.468 1122 N HN 0.353 nan 8.380 nan 0.000 0.504 1123 V N 3.871 123.788 119.914 0.005 0.000 2.332 1123 V HA -0.162 3.966 4.120 0.013 0.000 0.248 1123 V C -0.608 175.487 176.094 0.002 0.000 1.055 1123 V CA 1.528 63.834 62.300 0.010 0.000 1.038 1123 V CB -1.122 30.723 31.823 0.035 0.000 0.651 1123 V HN 0.472 nan 8.190 nan 0.000 0.450 1124 P HA -0.157 nan 4.420 nan 0.000 0.216 1124 P C 2.044 179.335 177.300 -0.014 0.000 1.150 1124 P CA 1.911 65.020 63.100 0.014 0.000 0.837 1124 P CB -0.084 31.629 31.700 0.022 0.000 0.786 1125 S N -1.074 114.602 115.700 -0.040 0.000 2.474 1125 S HA -0.082 4.396 4.470 0.013 0.000 0.235 1125 S C 1.697 176.265 174.600 -0.054 0.000 0.997 1125 S CA 0.731 58.897 58.200 -0.058 0.000 0.949 1125 S CB -0.598 62.559 63.200 -0.071 0.000 0.766 1125 S HN 0.054 nan 8.310 nan 0.000 0.517 1126 R N 0.081 120.550 120.500 -0.052 0.000 2.316 1126 R HA 0.078 4.426 4.340 0.013 0.000 0.202 1126 R C 0.254 176.535 176.300 -0.032 0.000 1.029 1126 R CA 0.659 56.716 56.100 -0.071 0.000 1.018 1126 R CB 0.187 30.424 30.300 -0.104 0.000 0.888 1126 R HN 0.293 nan 8.270 nan 0.000 0.471 1127 V N -0.820 119.092 119.914 -0.004 0.000 2.841 1127 V HA 0.248 4.376 4.120 0.013 0.000 0.363 1127 V C 1.066 177.160 176.094 0.000 0.000 1.330 1127 V CA -0.021 62.292 62.300 0.022 0.000 1.207 1127 V CB 0.682 32.547 31.823 0.070 0.000 1.318 1127 V HN 0.150 nan 8.190 nan 0.000 0.603 1128 A N 1.217 124.025 122.820 -0.020 0.000 1.986 1128 A HA -0.136 4.191 4.320 0.013 0.000 0.220 1128 A C 2.295 179.868 177.584 -0.019 0.000 1.171 1128 A CA 2.375 54.395 52.037 -0.030 0.000 0.640 1128 A CB -0.200 18.773 19.000 -0.044 0.000 0.811 1128 A HN 0.884 nan 8.150 nan 0.000 0.451 1129 A N -1.234 121.578 122.820 -0.014 0.000 2.066 1129 A HA -0.049 4.279 4.320 0.013 0.000 0.218 1129 A C 1.680 179.261 177.584 -0.006 0.000 1.157 1129 A CA 1.779 53.810 52.037 -0.010 0.000 0.670 1129 A CB -0.257 18.736 19.000 -0.011 0.000 0.804 1129 A HN 0.427 nan 8.150 nan 0.000 0.453 1130 D N -1.312 119.084 120.400 -0.008 0.000 2.380 1130 D HA 0.271 4.919 4.640 0.013 0.000 0.212 1130 D C 2.050 178.356 176.300 0.010 0.000 1.021 1130 D CA 0.944 54.937 54.000 -0.010 0.000 0.884 1130 D CB 0.076 40.853 40.800 -0.038 0.000 1.001 1130 D HN 0.311 nan 8.370 nan 0.000 0.506 1131 A N 0.035 122.866 122.820 0.018 0.000 1.970 1131 A HA -0.040 4.288 4.320 0.013 0.000 0.216 1131 A C 2.246 179.874 177.584 0.074 0.000 1.170 1131 A CA 1.232 53.296 52.037 0.045 0.000 0.645 1131 A CB -0.214 18.804 19.000 0.029 0.000 0.816 1131 A HN 0.102 nan 8.150 nan 0.000 0.447 1132 S N 0.494 116.217 115.700 0.039 0.000 2.355 1132 S HA -0.055 4.423 4.470 0.013 0.000 0.222 1132 S C -0.399 174.265 174.600 0.106 0.000 1.031 1132 S CA 1.549 59.784 58.200 0.057 0.000 0.993 1132 S CB -1.091 62.118 63.200 0.016 0.000 0.859 1132 S HN 0.429 nan 8.310 nan 0.000 0.453 1133 P HA -0.019 nan 4.420 nan 0.000 0.217 1133 P C 1.274 178.615 177.300 0.069 0.000 1.150 1133 P CA 0.870 64.010 63.100 0.067 0.000 0.832 1133 P CB -0.065 31.658 31.700 0.039 0.000 0.787 1134 L N -2.866 118.398 121.223 0.068 0.000 2.072 1134 L HA -0.105 4.242 4.340 0.013 0.000 0.205 1134 L C 2.340 179.244 176.870 0.056 0.000 1.079 1134 L CA 1.182 56.051 54.840 0.049 0.000 0.752 1134 L CB -0.785 41.300 42.059 0.043 0.000 0.906 1134 L HN -0.063 nan 8.230 nan 0.000 0.436 1135 F N 0.880 120.803 119.950 -0.046 0.000 2.134 1135 F HA -0.210 4.323 4.527 0.011 0.000 0.299 1135 F C 2.471 178.195 175.800 -0.126 0.000 1.097 1135 F CA 1.326 59.278 58.000 -0.080 0.000 1.264 1135 F CB -0.073 38.893 39.000 -0.056 0.000 1.001 1135 F HN -0.006 nan 8.300 nan 0.000 0.479 1136 A N -0.061 122.853 122.820 0.157 0.000 1.930 1136 A HA -0.179 4.149 4.320 0.013 0.000 0.217 1136 A C 2.192 179.756 177.584 -0.034 0.000 1.175 1136 A CA 1.624 53.710 52.037 0.081 0.000 0.627 1136 A CB -0.567 18.551 19.000 0.196 0.000 0.815 1136 A HN 0.418 nan 8.150 nan 0.000 0.443 1137 K N -0.326 120.064 120.400 -0.016 0.000 2.148 1137 K HA -0.096 4.232 4.320 0.013 0.000 0.204 1137 K C 1.729 178.268 176.600 -0.101 0.000 1.050 1137 K CA 1.415 57.689 56.287 -0.022 0.000 0.942 1137 K CB -0.265 32.232 32.500 -0.004 0.000 0.724 1137 K HN 0.601 nan 8.250 nan 0.000 0.446 1138 N N 0.826 119.407 118.700 -0.198 0.000 2.084 1138 N HA -0.134 4.614 4.740 0.013 0.000 0.190 1138 N C 1.783 177.095 175.510 -0.330 0.000 1.030 1138 N CA 0.908 53.793 53.050 -0.275 0.000 0.849 1138 N CB -0.061 38.167 38.487 -0.432 0.000 1.012 1138 N HN 0.030 nan 8.380 nan 0.000 0.423 1139 L N 0.271 121.158 121.223 -0.561 0.000 2.017 1139 L HA -0.133 4.215 4.340 0.013 0.000 0.208 1139 L C 2.280 178.899 176.870 -0.418 0.000 1.073 1139 L CA 0.631 54.975 54.840 -0.827 0.000 0.745 1139 L CB -0.403 40.514 42.059 -1.903 0.000 0.894 1139 L HN 0.248 nan 8.230 nan 0.000 0.432 1140 L N 0.090 121.202 121.223 -0.185 0.000 2.083 1140 L HA -0.164 4.183 4.340 0.013 0.000 0.209 1140 L C 2.154 179.099 176.870 0.124 0.000 1.083 1140 L CA 1.736 56.718 54.840 0.236 0.000 0.752 1140 L CB -0.708 41.508 42.059 0.263 0.000 0.899 1140 L HN 0.221 nan 8.230 nan 0.000 0.433 1141 N N -0.945 117.780 118.700 0.042 0.000 2.309 1141 N HA -0.186 4.562 4.740 0.013 0.000 0.182 1141 N C 1.676 177.235 175.510 0.081 0.000 1.018 1141 N CA 1.515 54.590 53.050 0.042 0.000 0.876 1141 N CB -0.360 38.132 38.487 0.008 0.000 0.972 1141 N HN 0.562 nan 8.380 nan 0.000 0.434 1142 F N 0.293 120.201 119.950 -0.070 0.000 2.387 1142 F HA 0.107 4.643 4.527 0.015 0.000 0.294 1142 F C 1.857 177.703 175.800 0.077 0.000 1.093 1142 F CA 0.198 58.172 58.000 -0.042 0.000 1.420 1142 F CB 0.065 38.976 39.000 -0.148 0.000 1.086 1142 F HN -0.082 nan 8.300 nan 0.000 0.531 1143 L N 0.142 121.395 121.223 0.051 0.000 2.209 1143 L HA 0.008 4.355 4.340 0.013 0.000 0.207 1143 L C 2.152 179.076 176.870 0.090 0.000 1.094 1143 L CA 1.859 56.741 54.840 0.069 0.000 0.790 1143 L CB -1.100 41.162 42.059 0.338 0.000 0.932 1143 L HN 0.094 nan 8.230 nan 0.000 0.447 1144 T N 1.018 115.616 114.554 0.073 0.000 2.635 1144 T HA -0.133 4.225 4.350 0.013 0.000 0.267 1144 T C -0.484 174.172 174.700 -0.073 0.000 1.040 1144 T CA 2.229 64.353 62.100 0.039 0.000 1.156 1144 T CB -1.205 67.683 68.868 0.035 0.000 0.863 1144 T HN 0.286 nan 8.240 nan 0.000 0.430 1145 P HA -0.069 nan 4.420 nan 0.000 0.226 1145 P C 0.869 177.839 177.300 -0.551 0.000 1.146 1145 P CA 1.002 63.861 63.100 -0.401 0.000 0.773 1145 P CB -0.067 31.320 31.700 -0.522 0.000 0.772 1146 H N -2.729 116.282 119.070 -0.098 0.000 2.705 1146 H HA 0.218 4.782 4.556 0.014 0.000 0.269 1146 H C 0.557 175.865 175.328 -0.032 0.000 0.998 1146 H CA -0.049 55.945 56.048 -0.090 0.000 1.193 1146 H CB 0.276 29.939 29.762 -0.166 0.000 1.485 1146 H HN 0.011 nan 8.280 nan 0.000 0.521 1147 V N 2.404 122.356 119.914 0.063 0.000 2.465 1147 V HA 0.151 4.279 4.120 0.013 0.000 0.279 1147 V C -0.626 175.465 176.094 -0.005 0.000 1.045 1147 V CA -0.444 61.889 62.300 0.055 0.000 0.938 1147 V CB 1.601 33.496 31.823 0.121 0.000 0.986 1147 V HN 0.069 nan 8.190 nan 0.000 0.467 1148 D N 5.459 125.841 120.400 -0.030 0.000 2.485 1148 D HA 0.274 4.922 4.640 0.013 0.000 0.229 1148 D C 1.171 177.430 176.300 -0.068 0.000 1.101 1148 D CA -0.305 53.670 54.000 -0.042 0.000 0.906 1148 D CB 1.387 42.168 40.800 -0.032 0.000 1.019 1148 D HN 0.701 nan 8.370 nan 0.000 0.516 1149 K N 0.955 121.317 120.400 -0.064 0.000 2.366 1149 K HA -0.179 4.149 4.320 0.013 0.000 0.202 1149 K C 0.395 176.955 176.600 -0.067 0.000 1.045 1149 K CA 1.048 57.290 56.287 -0.075 0.000 0.934 1149 K CB 0.230 32.703 32.500 -0.045 0.000 0.746 1149 K HN 0.302 nan 8.250 nan 0.000 0.470 1150 D N 0.943 121.311 120.400 -0.053 0.000 2.144 1150 D HA -0.112 4.536 4.640 0.013 0.000 0.207 1150 D C 1.694 177.964 176.300 -0.049 0.000 0.970 1150 D CA 1.283 55.256 54.000 -0.044 0.000 0.853 1150 D CB -0.363 40.417 40.800 -0.033 0.000 1.007 1150 D HN 0.188 nan 8.370 nan 0.000 0.469 1151 T N -0.067 114.456 114.554 -0.052 0.000 3.163 1151 T HA 0.008 4.366 4.350 0.013 0.000 0.252 1151 T C 0.078 174.735 174.700 -0.071 0.000 1.056 1151 T CA -0.301 61.768 62.100 -0.051 0.000 0.947 1151 T CB -0.333 68.513 68.868 -0.036 0.000 1.016 1151 T HN -0.088 nan 8.240 nan 0.000 0.554 1152 K N 2.457 122.794 120.400 -0.104 0.000 3.071 1152 K HA -0.125 4.203 4.320 0.013 0.000 0.262 1152 K C 0.097 176.612 176.600 -0.143 0.000 0.977 1152 K CA 1.232 57.424 56.287 -0.158 0.000 0.721 1152 K CB -2.770 29.648 32.500 -0.137 0.000 1.293 1152 K HN 0.774 nan 8.250 nan 0.000 0.475 1153 T N -2.853 111.636 114.554 -0.109 0.000 2.916 1153 T HA 0.661 5.019 4.350 0.013 0.000 0.292 1153 T C -0.416 174.265 174.700 -0.032 0.000 1.055 1153 T CA -1.206 60.858 62.100 -0.060 0.000 1.009 1153 T CB 2.249 71.101 68.868 -0.028 0.000 1.118 1153 T HN 0.067 nan 8.240 nan 0.000 0.497 1154 L N 2.737 123.971 121.223 0.018 0.000 2.313 1154 L HA 0.527 4.875 4.340 0.013 0.000 0.273 1154 L C -0.714 176.196 176.870 0.067 0.000 1.028 1154 L CA -0.668 54.216 54.840 0.072 0.000 0.871 1154 L CB 0.907 43.045 42.059 0.131 0.000 1.242 1154 L HN 0.682 nan 8.230 nan 0.000 0.434 1155 V N 5.799 125.755 119.914 0.070 0.000 2.299 1155 V HA 0.217 4.345 4.120 0.013 0.000 0.255 1155 V C 0.582 176.723 176.094 0.079 0.000 1.100 1155 V CA -0.259 62.081 62.300 0.067 0.000 0.938 1155 V CB 0.456 32.315 31.823 0.060 0.000 1.139 1155 V HN 0.709 nan 8.190 nan 0.000 0.490 1156 M N 5.229 124.829 119.600 0.001 0.000 2.725 1156 M HA 0.256 4.743 4.480 0.013 0.000 0.322 1156 M C 0.427 176.697 176.300 -0.049 0.000 1.393 1156 M CA 0.251 55.453 55.300 -0.163 0.000 1.452 1156 M CB -0.400 32.136 32.600 -0.106 0.000 1.242 1156 M HN 0.408 nan 8.290 nan 0.000 0.487 1157 K N 2.523 122.935 120.400 0.021 0.000 2.448 1157 K HA 0.067 4.395 4.320 0.013 0.000 0.278 1157 K C 0.801 177.426 176.600 0.043 0.000 1.009 1157 K CA -0.047 56.273 56.287 0.056 0.000 0.995 1157 K CB 0.722 33.279 32.500 0.095 0.000 0.917 1157 K HN 0.664 nan 8.250 nan 0.000 0.481 1158 L N 2.812 124.065 121.223 0.051 0.000 2.217 1158 L HA -0.159 4.189 4.340 0.013 0.000 0.211 1158 L C 2.205 179.110 176.870 0.059 0.000 1.107 1158 L CA 0.836 55.712 54.840 0.060 0.000 0.783 1158 L CB -0.436 41.654 42.059 0.052 0.000 0.919 1158 L HN 0.693 nan 8.230 nan 0.000 0.442 1159 E N -0.129 120.103 120.200 0.053 0.000 2.418 1159 E HA -0.163 4.195 4.350 0.013 0.000 0.197 1159 E C 0.372 177.008 176.600 0.059 0.000 1.026 1159 E CA 0.374 56.803 56.400 0.048 0.000 0.862 1159 E CB -0.567 29.156 29.700 0.038 0.000 0.799 1159 E HN 0.319 nan 8.360 nan 0.000 0.518 1160 D N 2.174 122.620 120.400 0.077 0.000 2.338 1160 D HA -0.032 4.616 4.640 0.013 0.000 0.255 1160 D C 0.802 177.162 176.300 0.099 0.000 1.237 1160 D CA -0.068 53.990 54.000 0.096 0.000 0.883 1160 D CB 0.931 41.828 40.800 0.162 0.000 1.087 1160 D HN -0.122 nan 8.370 nan 0.000 0.485 1161 E N 2.152 122.405 120.200 0.087 0.000 2.130 1161 E HA -0.209 4.149 4.350 0.013 0.000 0.196 1161 E C 1.884 178.558 176.600 0.122 0.000 0.998 1161 E CA 1.633 58.086 56.400 0.089 0.000 0.806 1161 E CB -0.927 28.813 29.700 0.067 0.000 0.738 1161 E HN 0.727 nan 8.360 nan 0.000 0.459 1162 T N -1.166 113.483 114.554 0.158 0.000 2.867 1162 T HA -0.063 4.295 4.350 0.013 0.000 0.268 1162 T C 2.161 177.063 174.700 0.336 0.000 1.057 1162 T CA 1.189 63.435 62.100 0.242 0.000 1.136 1162 T CB -0.546 68.539 68.868 0.362 0.000 0.874 1162 T HN 0.006 nan 8.240 nan 0.000 0.466 1163 V N 2.732 122.787 119.914 0.235 0.000 2.255 1163 V HA -0.137 3.990 4.120 0.013 0.000 0.243 1163 V C 3.214 179.475 176.094 0.278 0.000 1.038 1163 V CA 2.096 64.514 62.300 0.196 0.000 1.008 1163 V CB -0.958 30.856 31.823 -0.016 0.000 0.645 1163 V HN 0.758 nan 8.190 nan 0.000 0.449 1164 S N 0.852 116.665 115.700 0.189 0.000 2.423 1164 S HA -0.068 4.410 4.470 0.013 0.000 0.231 1164 S C 2.013 176.735 174.600 0.203 0.000 1.014 1164 S CA 1.213 59.517 58.200 0.174 0.000 0.965 1164 S CB -0.760 62.504 63.200 0.108 0.000 0.785 1164 S HN 0.565 nan 8.310 nan 0.000 0.495 1165 G N 1.639 110.550 108.800 0.186 0.000 2.484 1165 G HA2 -0.031 3.937 3.960 0.013 0.000 0.218 1165 G HA3 -0.031 3.937 3.960 0.013 0.000 0.218 1165 G C 1.523 176.523 174.900 0.166 0.000 1.130 1165 G CA 1.248 46.463 45.100 0.191 0.000 0.784 1165 G HN 0.707 nan 8.290 nan 0.000 0.543 1166 T N -3.634 111.009 114.554 0.148 0.000 2.990 1166 T HA 0.124 4.481 4.350 0.013 0.000 0.249 1166 T C 1.164 175.936 174.700 0.119 0.000 1.039 1166 T CA -0.101 62.027 62.100 0.048 0.000 1.036 1166 T CB -0.352 68.484 68.868 -0.052 0.000 0.994 1166 T HN 0.083 nan 8.240 nan 0.000 0.489 1167 C N 3.869 123.318 119.300 0.249 0.000 2.627 1167 C HA 0.540 5.008 4.460 0.013 0.000 0.404 1167 C C 1.987 176.971 174.990 -0.011 0.000 1.340 1167 C CA -0.213 58.793 59.018 -0.020 0.000 1.758 1167 C CB -0.754 26.969 27.740 -0.029 0.000 2.501 1167 C HN 0.518 nan 8.230 nan 0.000 0.588 1168 V N 3.349 123.201 119.914 -0.102 0.000 3.523 1168 V HA 0.343 4.471 4.120 0.013 0.000 0.255 1168 V C 0.762 176.841 176.094 -0.024 0.000 1.226 1168 V CA 0.792 63.078 62.300 -0.023 0.000 1.092 1168 V CB -0.403 31.371 31.823 -0.081 0.000 0.817 1168 V HN 0.831 nan 8.190 nan 0.000 0.458 1169 T N 0.576 115.073 114.554 -0.096 0.000 2.923 1169 T HA 0.638 4.996 4.350 0.013 0.000 0.311 1169 T C -1.370 173.261 174.700 -0.115 0.000 1.183 1169 T CA -0.582 61.473 62.100 -0.075 0.000 1.020 1169 T CB 2.222 71.058 68.868 -0.053 0.000 1.165 1169 T HN 0.524 nan 8.240 nan 0.000 0.482 1170 R N 2.670 123.129 120.500 -0.068 0.000 2.561 1170 R HA 0.296 4.644 4.340 0.013 0.000 0.266 1170 R C -1.400 174.885 176.300 -0.026 0.000 1.091 1170 R CA -0.324 55.739 56.100 -0.061 0.000 0.927 1170 R CB 1.246 31.513 30.300 -0.055 0.000 1.240 1170 R HN 0.947 nan 8.270 nan 0.000 0.449 1171 D N 2.561 122.952 120.400 -0.015 0.000 2.720 1171 D HA -0.194 4.454 4.640 0.013 0.000 0.229 1171 D C 0.679 176.977 176.300 -0.003 0.000 1.198 1171 D CA 2.213 56.211 54.000 -0.003 0.000 0.639 1171 D CB -0.751 40.050 40.800 0.003 0.000 1.003 1171 D HN 1.013 nan 8.370 nan 0.000 0.411 1172 G N -1.019 107.777 108.800 -0.006 0.000 2.160 1172 G HA2 0.085 4.053 3.960 0.013 0.000 0.251 1172 G HA3 0.085 4.053 3.960 0.013 0.000 0.251 1172 G C 0.253 175.150 174.900 -0.004 0.000 1.008 1172 G CA 0.393 45.491 45.100 -0.003 0.000 0.724 1172 G HN 1.473 nan 8.290 nan 0.000 0.514 1173 A N -0.492 122.324 122.820 -0.008 0.000 2.427 1173 A HA 0.765 5.092 4.320 0.013 0.000 0.298 1173 A C -0.089 177.491 177.584 -0.007 0.000 1.036 1173 A CA -0.651 51.383 52.037 -0.005 0.000 0.701 1173 A CB 1.208 20.207 19.000 -0.003 0.000 1.250 1173 A HN 0.673 nan 8.150 nan 0.000 0.412 1174 I N 3.131 123.701 120.570 0.000 0.000 2.452 1174 I HA 0.152 4.330 4.170 0.013 0.000 0.287 1174 I C 1.160 177.285 176.117 0.014 0.000 1.079 1174 I CA 0.077 61.382 61.300 0.008 0.000 1.387 1174 I CB 1.456 39.465 38.000 0.015 0.000 1.404 1174 I HN 0.598 nan 8.210 nan 0.000 0.522 1175 V N 2.482 122.411 119.914 0.024 0.000 3.528 1175 V HA 0.235 4.363 4.120 0.013 0.000 0.294 1175 V C 0.546 176.666 176.094 0.044 0.000 1.404 1175 V CA 0.010 62.324 62.300 0.024 0.000 1.065 1175 V CB -0.360 31.473 31.823 0.016 0.000 0.904 1175 V HN 0.699 nan 8.190 nan 0.000 0.435 1176 H N 3.260 122.321 119.070 -0.016 0.000 2.481 1176 H HA 0.462 5.021 4.556 0.004 0.000 0.333 1176 H C -2.378 172.947 175.328 -0.006 0.000 1.066 1176 H CA -1.697 54.346 56.048 -0.009 0.000 1.209 1176 H CB 2.749 32.503 29.762 -0.012 0.000 1.445 1176 H HN 0.160 nan 8.280 nan 0.000 0.488 1177 P HA 0.111 nan 4.420 nan 0.000 0.261 1177 P C -0.087 177.266 177.300 0.088 0.000 1.650 1177 P CA 0.046 63.116 63.100 -0.051 0.000 0.846 1177 P CB -0.352 31.269 31.700 -0.132 0.000 1.758 1178 A N 0.645 123.618 122.820 0.254 0.000 3.033 1178 A HA 0.742 5.070 4.320 0.013 0.000 0.223 1178 A C 0.919 178.556 177.584 0.089 0.000 1.797 1178 A CA 0.261 52.416 52.037 0.197 0.000 0.856 1178 A CB -0.772 18.327 19.000 0.165 0.000 1.798 1178 A HN 0.536 nan 8.150 nan 0.000 0.629 1179 L N 0.000 121.258 121.223 0.058 0.000 2.949 1179 L HA 0.000 4.348 4.340 0.013 0.000 0.249 1179 L CA 0.000 54.862 54.840 0.036 0.000 0.813 1179 L CB 0.000 42.078 42.059 0.032 0.000 0.961 1179 L HN 0.000 nan 8.230 nan 0.000 0.502