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 1l7d_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 VESLGGKFIT VXXXXXXXXX XXXXXXXXXX XXXXKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPA 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 0.000 176.265 176.300 -0.059 0.000 1.140 801 M CA 0.000 55.168 55.300 -0.219 0.000 0.988 801 M CB 0.000 32.444 32.600 -0.260 0.000 1.302 802 K N 1.837 122.271 120.400 0.056 0.000 2.274 802 K HA 0.752 5.080 4.320 0.014 0.000 0.262 802 K C -2.010 174.669 176.600 0.131 0.000 0.961 802 K CA -0.443 55.904 56.287 0.099 0.000 0.833 802 K CB 1.666 34.190 32.500 0.039 0.000 1.102 802 K HN 0.699 nan 8.250 nan 0.000 0.436 803 I N 3.083 123.705 120.570 0.087 0.000 2.433 803 I HA 0.531 4.709 4.170 0.014 0.000 0.292 803 I C -1.308 174.727 176.117 -0.136 0.000 1.001 803 I CA -0.457 60.769 61.300 -0.123 0.000 1.119 803 I CB 1.678 39.375 38.000 -0.505 0.000 1.289 803 I HN 0.801 nan 8.210 nan 0.000 0.438 804 A N 7.556 130.311 122.820 -0.108 0.000 2.365 804 A HA 0.834 5.162 4.320 0.014 0.000 0.318 804 A C -1.327 176.252 177.584 -0.009 0.000 1.091 804 A CA -0.479 51.530 52.037 -0.047 0.000 0.763 804 A CB 1.242 20.240 19.000 -0.003 0.000 1.248 804 A HN 0.581 nan 8.150 nan 0.000 0.442 805 I N 3.660 124.240 120.570 0.017 0.000 2.439 805 I HA 0.454 4.632 4.170 0.014 0.000 0.285 805 I C -2.283 173.864 176.117 0.050 0.000 1.021 805 I CA -1.533 59.811 61.300 0.073 0.000 1.091 805 I CB 2.345 40.407 38.000 0.102 0.000 1.242 805 I HN 0.473 nan 8.210 nan 0.000 0.439 806 P HA 0.298 nan 4.420 nan 0.000 0.286 806 P C -1.064 176.247 177.300 0.019 0.000 1.292 806 P CA -0.947 62.171 63.100 0.030 0.000 0.842 806 P CB 1.465 33.183 31.700 0.030 0.000 1.207 807 K N 0.716 121.120 120.400 0.008 0.000 2.237 807 K HA 0.092 4.420 4.320 0.014 0.000 0.270 807 K C 0.127 176.720 176.600 -0.012 0.000 1.015 807 K CA -0.233 56.052 56.287 -0.005 0.000 0.949 807 K CB 0.311 32.807 32.500 -0.006 0.000 0.976 807 K HN 0.314 nan 8.250 nan 0.000 0.472 808 E N 3.451 123.634 120.200 -0.029 0.000 2.290 808 E HA 0.036 4.394 4.350 0.014 0.000 0.277 808 E C 0.235 176.816 176.600 -0.032 0.000 1.035 808 E CA 0.183 56.559 56.400 -0.039 0.000 0.873 808 E CB 1.252 30.910 29.700 -0.070 0.000 1.029 808 E HN 0.556 nan 8.360 nan 0.000 0.419 809 R N 1.888 122.373 120.500 -0.025 0.000 2.308 809 R HA 0.122 4.470 4.340 0.014 0.000 0.202 809 R C 0.437 176.723 176.300 -0.023 0.000 0.898 809 R CA -0.115 55.973 56.100 -0.020 0.000 1.046 809 R CB 0.574 30.867 30.300 -0.011 0.000 1.026 809 R HN 0.252 nan 8.270 nan 0.000 0.512 810 R N 2.223 122.706 120.500 -0.030 0.000 2.643 810 R HA 0.090 4.438 4.340 0.014 0.000 0.270 810 R C -2.166 174.115 176.300 -0.033 0.000 1.061 810 R CA -1.483 54.599 56.100 -0.031 0.000 1.107 810 R CB 0.044 30.321 30.300 -0.038 0.000 0.999 810 R HN -0.019 nan 8.270 nan 0.000 0.460 811 P HA -0.115 nan 4.420 nan 0.000 0.261 811 P C 0.506 177.787 177.300 -0.032 0.000 1.183 811 P CA 0.848 63.933 63.100 -0.026 0.000 0.761 811 P CB 0.578 32.266 31.700 -0.020 0.000 0.785 812 G N 2.213 110.993 108.800 -0.032 0.000 2.205 812 G HA2 -0.280 3.689 3.960 0.014 0.000 0.261 812 G HA3 -0.280 3.689 3.960 0.014 0.000 0.261 812 G C 0.231 175.103 174.900 -0.048 0.000 0.980 812 G CA 0.317 45.395 45.100 -0.037 0.000 0.632 812 G HN 0.681 nan 8.290 nan 0.000 0.533 813 E N 1.475 121.642 120.200 -0.054 0.000 2.104 813 E HA 0.448 4.806 4.350 0.014 0.000 0.278 813 E C 0.545 177.104 176.600 -0.068 0.000 1.127 813 E CA -0.199 56.159 56.400 -0.071 0.000 0.897 813 E CB 0.327 29.978 29.700 -0.081 0.000 1.043 813 E HN 0.235 nan 8.360 nan 0.000 0.410 814 D N 3.811 124.169 120.400 -0.069 0.000 2.398 814 D HA 0.081 4.729 4.640 0.014 0.000 0.210 814 D C 0.080 176.338 176.300 -0.070 0.000 1.094 814 D CA 0.035 53.998 54.000 -0.061 0.000 0.839 814 D CB 0.323 41.092 40.800 -0.052 0.000 0.963 814 D HN 0.310 nan 8.370 nan 0.000 0.506 815 R N 0.157 120.597 120.500 -0.100 0.000 2.583 815 R HA 0.543 4.892 4.340 0.014 0.000 0.268 815 R C -0.391 175.829 176.300 -0.133 0.000 1.101 815 R CA -0.452 55.572 56.100 -0.126 0.000 1.180 815 R CB 1.767 31.948 30.300 -0.198 0.000 1.128 815 R HN -0.162 nan 8.270 nan 0.000 0.568 816 V N 0.024 119.863 119.914 -0.125 0.000 2.932 816 V HA 0.466 4.594 4.120 0.014 0.000 0.307 816 V C -0.870 175.182 176.094 -0.069 0.000 1.147 816 V CA -0.512 61.738 62.300 -0.085 0.000 0.951 816 V CB 2.057 33.865 31.823 -0.025 0.000 1.031 816 V HN 0.888 nan 8.190 nan 0.000 0.426 817 A N 6.197 129.005 122.820 -0.020 0.000 3.033 817 A HA 0.662 4.990 4.320 0.014 0.000 0.250 817 A C -0.216 177.528 177.584 0.266 0.000 1.633 817 A CA 0.297 52.406 52.037 0.121 0.000 1.290 817 A CB -0.988 18.127 19.000 0.192 0.000 1.048 817 A HN 1.107 nan 8.150 nan 0.000 0.648 818 I N -1.177 119.504 120.570 0.185 0.000 3.033 818 I HA 0.530 4.708 4.170 0.014 0.000 0.306 818 I C -0.823 175.369 176.117 0.124 0.000 1.473 818 I CA 0.397 61.818 61.300 0.202 0.000 0.951 818 I CB 2.091 40.188 38.000 0.161 0.000 1.338 818 I HN 0.285 nan 8.210 nan 0.000 0.518 819 S N 3.362 119.130 115.700 0.113 0.000 2.565 819 S HA 0.643 5.121 4.470 0.014 0.000 0.269 819 S C -2.781 171.856 174.600 0.062 0.000 1.153 819 S CA -0.943 57.302 58.200 0.074 0.000 0.835 819 S CB 1.802 65.044 63.200 0.070 0.000 1.122 819 S HN 0.383 nan 8.310 nan 0.000 0.462 820 P HA -0.087 nan 4.420 nan 0.000 0.215 820 P C 1.270 178.592 177.300 0.037 0.000 1.157 820 P CA 1.406 64.526 63.100 0.034 0.000 0.874 820 P CB 0.063 31.778 31.700 0.025 0.000 0.790 821 E N -0.698 119.526 120.200 0.039 0.000 2.085 821 E HA -0.140 4.218 4.350 0.014 0.000 0.194 821 E C 1.905 178.536 176.600 0.053 0.000 0.994 821 E CA 1.199 57.623 56.400 0.040 0.000 0.801 821 E CB -0.522 29.201 29.700 0.037 0.000 0.743 821 E HN 0.038 nan 8.360 nan 0.000 0.453 822 V N 0.657 120.616 119.914 0.074 0.000 2.515 822 V HA -0.196 3.932 4.120 0.014 0.000 0.250 822 V C 2.283 178.421 176.094 0.073 0.000 1.058 822 V CA 1.015 63.378 62.300 0.106 0.000 1.064 822 V CB -0.194 31.738 31.823 0.182 0.000 0.675 822 V HN 0.133 nan 8.190 nan 0.000 0.461 823 V N -0.035 119.910 119.914 0.052 0.000 2.343 823 V HA -0.292 3.836 4.120 0.014 0.000 0.247 823 V C 2.466 178.571 176.094 0.020 0.000 1.051 823 V CA 2.079 64.390 62.300 0.018 0.000 1.036 823 V CB -0.665 31.169 31.823 0.019 0.000 0.654 823 V HN 0.551 nan 8.190 nan 0.000 0.451 824 K N -0.256 120.161 120.400 0.029 0.000 2.063 824 K HA -0.182 4.146 4.320 0.014 0.000 0.208 824 K C 2.292 178.914 176.600 0.036 0.000 1.048 824 K CA 1.212 57.517 56.287 0.030 0.000 0.928 824 K CB -0.224 32.293 32.500 0.028 0.000 0.713 824 K HN 0.300 nan 8.250 nan 0.000 0.442 825 K N 1.026 121.451 120.400 0.043 0.000 2.057 825 K HA -0.083 4.245 4.320 0.014 0.000 0.207 825 K C 2.204 178.840 176.600 0.060 0.000 1.049 825 K CA 1.107 57.425 56.287 0.052 0.000 0.931 825 K CB -0.357 32.180 32.500 0.062 0.000 0.714 825 K HN 0.174 nan 8.250 nan 0.000 0.440 826 L N 0.666 121.905 121.223 0.028 0.000 2.017 826 L HA -0.169 4.179 4.340 0.014 0.000 0.208 826 L C 2.443 179.396 176.870 0.138 0.000 1.073 826 L CA 0.802 55.645 54.840 0.005 0.000 0.745 826 L CB -0.553 41.387 42.059 -0.198 0.000 0.894 826 L HN -0.117 nan 8.230 nan 0.000 0.432 827 V N 0.183 120.145 119.914 0.081 0.000 2.392 827 V HA -0.233 3.895 4.120 0.014 0.000 0.249 827 V C 2.569 178.709 176.094 0.076 0.000 1.059 827 V CA 2.002 64.350 62.300 0.081 0.000 1.051 827 V CB -1.280 30.569 31.823 0.043 0.000 0.658 827 V HN 0.596 nan 8.190 nan 0.000 0.455 828 G N -0.568 108.273 108.800 0.068 0.000 2.443 828 G HA2 -0.152 3.816 3.960 0.014 0.000 0.219 828 G HA3 -0.152 3.816 3.960 0.014 0.000 0.219 828 G C 1.439 176.378 174.900 0.065 0.000 1.131 828 G CA 0.427 45.559 45.100 0.054 0.000 0.775 828 G HN 0.510 nan 8.290 nan 0.000 0.547 829 L N -0.007 121.288 121.223 0.119 0.000 2.599 829 L HA 0.266 4.614 4.340 0.014 0.000 0.230 829 L C 1.973 178.876 176.870 0.055 0.000 1.141 829 L CA 0.531 55.452 54.840 0.135 0.000 0.877 829 L CB 0.188 42.411 42.059 0.273 0.000 1.009 829 L HN 0.374 nan 8.230 nan 0.000 0.447 830 G N -0.885 107.938 108.800 0.039 0.000 2.163 830 G HA2 -0.256 3.713 3.960 0.014 0.000 0.213 830 G HA3 -0.256 3.713 3.960 0.014 0.000 0.213 830 G C 0.086 174.904 174.900 -0.137 0.000 0.991 830 G CA -0.652 44.404 45.100 -0.072 0.000 0.653 830 G HN 0.114 nan 8.290 nan 0.000 0.518 831 F N 1.141 121.062 119.950 -0.048 0.000 2.382 831 F HA 0.525 5.060 4.527 0.014 0.000 0.331 831 F C 0.959 176.722 175.800 -0.063 0.000 1.121 831 F CA -0.081 57.878 58.000 -0.068 0.000 1.183 831 F CB 1.028 39.962 39.000 -0.110 0.000 1.207 831 F HN 0.111 nan 8.300 nan 0.000 0.555 832 E N 2.267 122.553 120.200 0.143 0.000 2.081 832 E HA 0.419 4.777 4.350 0.014 0.000 0.276 832 E C -1.628 175.011 176.600 0.066 0.000 0.950 832 E CA -0.504 55.936 56.400 0.066 0.000 0.776 832 E CB 0.905 30.621 29.700 0.028 0.000 1.094 832 E HN 0.388 nan 8.360 nan 0.000 0.402 833 V N 6.861 126.792 119.914 0.027 0.000 2.383 833 V HA 0.361 4.489 4.120 0.014 0.000 0.275 833 V C 0.121 176.204 176.094 -0.019 0.000 1.036 833 V CA -0.496 61.790 62.300 -0.024 0.000 0.889 833 V CB 0.853 32.648 31.823 -0.047 0.000 0.985 833 V HN 0.636 nan 8.190 nan 0.000 0.459 834 I N 5.273 125.827 120.570 -0.027 0.000 2.436 834 I HA 0.580 4.758 4.170 0.014 0.000 0.289 834 I C -0.720 175.391 176.117 -0.011 0.000 1.010 834 I CA -0.785 60.508 61.300 -0.012 0.000 1.098 834 I CB 2.097 40.094 38.000 -0.004 0.000 1.266 834 I HN 0.275 nan 8.210 nan 0.000 0.434 835 V N 4.971 124.884 119.914 -0.001 0.000 2.604 835 V HA 0.273 4.401 4.120 0.014 0.000 0.305 835 V C 0.057 176.156 176.094 0.008 0.000 1.043 835 V CA -0.806 61.498 62.300 0.007 0.000 0.888 835 V CB 1.947 33.777 31.823 0.012 0.000 0.995 835 V HN 0.754 nan 8.190 nan 0.000 0.429 836 E N 3.588 123.794 120.200 0.011 0.000 2.376 836 E HA 0.126 4.484 4.350 0.014 0.000 0.266 836 E C 0.188 176.792 176.600 0.007 0.000 1.009 836 E CA -0.432 55.973 56.400 0.009 0.000 0.902 836 E CB 0.694 30.400 29.700 0.010 0.000 0.972 836 E HN 0.780 nan 8.360 nan 0.000 0.439 837 Q N 2.960 122.763 119.800 0.005 0.000 2.315 837 Q HA 0.122 4.470 4.340 0.014 0.000 0.289 837 Q C 0.789 176.790 176.000 0.002 0.000 1.044 837 Q CA 0.341 56.146 55.803 0.003 0.000 0.920 837 Q CB 0.541 29.281 28.738 0.002 0.000 1.214 837 Q HN 0.826 nan 8.270 nan 0.000 0.392 838 G N 1.821 110.622 108.800 0.001 0.000 2.184 838 G HA2 -0.380 3.588 3.960 0.014 0.000 0.264 838 G HA3 -0.380 3.588 3.960 0.014 0.000 0.264 838 G C 0.810 175.708 174.900 -0.003 0.000 0.975 838 G CA 0.398 45.497 45.100 -0.002 0.000 0.642 838 G HN 1.159 nan 8.290 nan 0.000 0.536 839 A N 0.008 122.828 122.820 -0.000 0.000 2.019 839 A HA 0.362 4.690 4.320 0.014 0.000 0.219 839 A C 2.499 180.080 177.584 -0.006 0.000 1.164 839 A CA 2.228 54.263 52.037 -0.002 0.000 0.644 839 A CB -0.472 18.532 19.000 0.007 0.000 0.805 839 A HN 1.597 nan 8.150 nan 0.000 0.449 840 G N -1.373 107.426 108.800 -0.002 0.000 3.088 840 G HA2 0.255 4.223 3.960 0.014 0.000 0.217 840 G HA3 0.255 4.223 3.960 0.014 0.000 0.217 840 G C 1.165 176.061 174.900 -0.008 0.000 1.159 840 G CA 0.657 45.755 45.100 -0.004 0.000 0.760 840 G HN 0.203 nan 8.290 nan 0.000 0.550 841 V N 1.816 121.724 119.914 -0.009 0.000 2.250 841 V HA -0.217 3.912 4.120 0.014 0.000 0.250 841 V C 3.079 179.164 176.094 -0.016 0.000 1.060 841 V CA 2.471 64.765 62.300 -0.011 0.000 1.030 841 V CB -0.864 30.952 31.823 -0.012 0.000 0.643 841 V HN 0.410 nan 8.190 nan 0.000 0.445 842 G N -1.102 107.685 108.800 -0.021 0.000 2.448 842 G HA2 -0.077 3.891 3.960 0.014 0.000 0.219 842 G HA3 -0.077 3.891 3.960 0.014 0.000 0.219 842 G C 1.333 176.217 174.900 -0.026 0.000 1.127 842 G CA 0.822 45.906 45.100 -0.027 0.000 0.766 842 G HN 0.694 nan 8.290 nan 0.000 0.552 843 A N -0.544 122.263 122.820 -0.022 0.000 2.345 843 A HA 0.547 4.876 4.320 0.014 0.000 0.225 843 A C 1.463 179.040 177.584 -0.011 0.000 1.243 843 A CA 0.951 52.978 52.037 -0.018 0.000 0.875 843 A CB -0.059 18.931 19.000 -0.016 0.000 0.929 843 A HN 0.539 nan 8.150 nan 0.000 0.502 844 S N -1.173 114.520 115.700 -0.011 0.000 3.635 844 S HA -0.153 4.325 4.470 0.014 0.000 0.328 844 S C -0.001 174.598 174.600 -0.002 0.000 1.135 844 S CA 1.027 59.223 58.200 -0.007 0.000 0.942 844 S CB -1.767 61.429 63.200 -0.008 0.000 0.930 844 S HN 0.589 nan 8.310 nan 0.000 0.512 845 I N 2.507 123.077 120.570 -0.000 0.000 2.359 845 I HA 0.235 4.413 4.170 0.014 0.000 0.284 845 I C 0.946 177.065 176.117 0.004 0.000 1.018 845 I CA -0.387 60.916 61.300 0.005 0.000 1.173 845 I CB 1.394 39.401 38.000 0.010 0.000 1.326 845 I HN 0.266 nan 8.210 nan 0.000 0.462 846 T N 0.246 114.803 114.554 0.004 0.000 2.868 846 T HA 0.145 4.503 4.350 0.014 0.000 0.292 846 T C 0.832 175.536 174.700 0.005 0.000 1.028 846 T CA -0.636 61.466 62.100 0.003 0.000 1.059 846 T CB 1.452 70.321 68.868 0.003 0.000 0.991 846 T HN 0.411 nan 8.240 nan 0.000 0.531 847 D N 0.897 121.300 120.400 0.004 0.000 2.123 847 D HA -0.100 4.548 4.640 0.014 0.000 0.196 847 D C 1.658 177.962 176.300 0.006 0.000 0.992 847 D CA 1.230 55.234 54.000 0.005 0.000 0.833 847 D CB -0.247 40.555 40.800 0.004 0.000 0.954 847 D HN 0.633 nan 8.370 nan 0.000 0.455 848 D N 0.492 120.895 120.400 0.005 0.000 2.149 848 D HA -0.109 4.540 4.640 0.014 0.000 0.198 848 D C 2.003 178.307 176.300 0.006 0.000 0.990 848 D CA 1.194 55.197 54.000 0.005 0.000 0.839 848 D CB -0.263 40.539 40.800 0.004 0.000 0.948 848 D HN 0.165 nan 8.370 nan 0.000 0.460 849 A N 0.844 123.668 122.820 0.007 0.000 1.898 849 A HA -0.126 4.202 4.320 0.014 0.000 0.216 849 A C 2.108 179.699 177.584 0.011 0.000 1.181 849 A CA 0.819 52.862 52.037 0.009 0.000 0.620 849 A CB -0.425 18.580 19.000 0.009 0.000 0.819 849 A HN 0.119 nan 8.150 nan 0.000 0.442 850 L N -0.248 120.982 121.223 0.012 0.000 2.056 850 L HA -0.102 4.246 4.340 0.014 0.000 0.207 850 L C 2.663 179.539 176.870 0.011 0.000 1.078 850 L CA 2.319 57.167 54.840 0.013 0.000 0.749 850 L CB -2.051 40.017 42.059 0.014 0.000 0.901 850 L HN 0.344 nan 8.230 nan 0.000 0.433 851 T N 0.297 114.856 114.554 0.008 0.000 2.746 851 T HA -0.153 4.205 4.350 0.014 0.000 0.267 851 T C 1.973 176.677 174.700 0.008 0.000 1.039 851 T CA 1.401 63.505 62.100 0.007 0.000 1.142 851 T CB -0.174 68.697 68.868 0.006 0.000 0.866 851 T HN 0.411 nan 8.240 nan 0.000 0.444 852 A N 1.367 124.192 122.820 0.008 0.000 1.933 852 A HA 0.152 4.480 4.320 0.014 0.000 0.218 852 A C 2.556 180.146 177.584 0.010 0.000 1.175 852 A CA 1.734 53.776 52.037 0.008 0.000 0.628 852 A CB -0.948 18.057 19.000 0.008 0.000 0.814 852 A HN 0.511 nan 8.150 nan 0.000 0.444 853 A N -2.132 120.695 122.820 0.012 0.000 2.172 853 A HA 0.353 4.681 4.320 0.014 0.000 0.216 853 A C 1.828 179.420 177.584 0.014 0.000 1.154 853 A CA 1.650 53.696 52.037 0.014 0.000 0.701 853 A CB -0.670 18.340 19.000 0.018 0.000 0.789 853 A HN 1.826 nan 8.150 nan 0.000 0.465 854 G N -3.115 105.692 108.800 0.011 0.000 2.227 854 G HA2 0.245 4.213 3.960 0.014 0.000 0.168 854 G HA3 0.245 4.213 3.960 0.014 0.000 0.168 854 G C 0.342 175.247 174.900 0.009 0.000 1.006 854 G CA 0.139 45.246 45.100 0.011 0.000 0.684 854 G HN 1.362 nan 8.290 nan 0.000 0.489 855 A N 0.178 123.002 122.820 0.007 0.000 2.257 855 A HA 0.894 5.223 4.320 0.014 0.000 0.289 855 A C 0.676 178.262 177.584 0.004 0.000 1.095 855 A CA 0.752 52.791 52.037 0.003 0.000 0.836 855 A CB 0.625 19.626 19.000 0.001 0.000 1.111 855 A HN 1.645 nan 8.150 nan 0.000 0.497 856 T N -0.726 113.830 114.554 0.003 0.000 2.829 856 T HA 0.610 4.968 4.350 0.014 0.000 0.280 856 T C -0.360 174.342 174.700 0.003 0.000 0.999 856 T CA -0.625 61.477 62.100 0.003 0.000 0.983 856 T CB 0.666 69.535 68.868 0.003 0.000 0.968 856 T HN 0.339 nan 8.240 nan 0.000 0.446 857 I N 2.658 123.231 120.570 0.004 0.000 2.365 857 I HA 0.525 4.703 4.170 0.014 0.000 0.291 857 I C 0.753 176.872 176.117 0.004 0.000 1.004 857 I CA -0.823 60.479 61.300 0.004 0.000 1.311 857 I CB 0.646 38.648 38.000 0.004 0.000 1.401 857 I HN 0.974 nan 8.210 nan 0.000 0.491 858 A N 4.528 127.350 122.820 0.004 0.000 2.305 858 A HA 0.508 4.836 4.320 0.014 0.000 0.322 858 A C 1.005 178.592 177.584 0.004 0.000 1.187 858 A CA -0.386 51.653 52.037 0.005 0.000 0.825 858 A CB 0.866 19.869 19.000 0.006 0.000 1.164 858 A HN 0.753 nan 8.150 nan 0.000 0.498 859 S N 0.222 115.925 115.700 0.004 0.000 2.383 859 S HA -0.027 4.451 4.470 0.014 0.000 0.227 859 S C 1.169 175.771 174.600 0.003 0.000 1.026 859 S CA 1.627 59.829 58.200 0.003 0.000 0.981 859 S CB -0.241 62.961 63.200 0.003 0.000 0.818 859 S HN 1.109 nan 8.310 nan 0.000 0.472 860 T N -2.283 112.273 114.554 0.004 0.000 2.916 860 T HA 0.785 5.143 4.350 0.014 0.000 0.292 860 T C 0.954 175.658 174.700 0.007 0.000 1.064 860 T CA -0.326 61.777 62.100 0.005 0.000 1.011 860 T CB 1.726 70.597 68.868 0.004 0.000 1.152 860 T HN -0.047 nan 8.240 nan 0.000 0.510 861 A N 1.048 123.872 122.820 0.007 0.000 1.902 861 A HA 0.224 4.552 4.320 0.014 0.000 0.217 861 A C 2.585 180.176 177.584 0.012 0.000 1.181 861 A CA 2.080 54.123 52.037 0.010 0.000 0.623 861 A CB -1.565 17.441 19.000 0.010 0.000 0.818 861 A HN 1.363 nan 8.150 nan 0.000 0.443 862 A N -0.567 122.259 122.820 0.010 0.000 1.883 862 A HA -0.263 4.065 4.320 0.014 0.000 0.217 862 A C 2.127 179.718 177.584 0.010 0.000 1.186 862 A CA 1.806 53.849 52.037 0.010 0.000 0.624 862 A CB -0.686 18.319 19.000 0.008 0.000 0.822 862 A HN 0.666 nan 8.150 nan 0.000 0.444 863 Q N -0.824 118.981 119.800 0.009 0.000 2.167 863 Q HA -0.045 4.303 4.340 0.014 0.000 0.202 863 Q C 2.379 178.384 176.000 0.009 0.000 0.970 863 Q CA 1.124 56.931 55.803 0.008 0.000 0.855 863 Q CB -0.352 28.389 28.738 0.006 0.000 0.911 863 Q HN 0.703 nan 8.270 nan 0.000 0.438 864 A N 0.920 123.746 122.820 0.010 0.000 1.873 864 A HA -0.111 4.217 4.320 0.014 0.000 0.215 864 A C 1.975 179.567 177.584 0.013 0.000 1.186 864 A CA 1.026 53.070 52.037 0.010 0.000 0.616 864 A CB -0.472 18.535 19.000 0.012 0.000 0.823 864 A HN 0.280 nan 8.150 nan 0.000 0.442 865 L N -0.604 120.629 121.223 0.017 0.000 2.418 865 L HA -0.049 4.299 4.340 0.014 0.000 0.218 865 L C 2.535 179.417 176.870 0.020 0.000 1.125 865 L CA 0.658 55.512 54.840 0.022 0.000 0.835 865 L CB -0.476 41.599 42.059 0.027 0.000 0.953 865 L HN 0.524 nan 8.230 nan 0.000 0.454 866 S N 1.108 116.818 115.700 0.016 0.000 2.320 866 S HA -0.402 4.076 4.470 0.014 0.000 0.320 866 S C 1.642 176.252 174.600 0.016 0.000 1.090 866 S CA 2.580 60.789 58.200 0.014 0.000 1.631 866 S CB -0.200 63.007 63.200 0.011 0.000 1.389 866 S HN 0.507 nan 8.310 nan 0.000 0.474 867 Q N 0.832 120.641 119.800 0.015 0.000 2.186 867 Q HA 0.619 4.967 4.340 0.014 0.000 0.241 867 Q C -0.174 175.839 176.000 0.021 0.000 0.849 867 Q CA 0.411 56.223 55.803 0.016 0.000 1.053 867 Q CB 0.257 29.001 28.738 0.011 0.000 1.146 867 Q HN 0.636 nan 8.270 nan 0.000 0.475 868 A N 0.211 123.046 122.820 0.025 0.000 2.477 868 A HA 0.123 4.452 4.320 0.014 0.000 0.246 868 A C 0.354 177.965 177.584 0.045 0.000 1.078 868 A CA 0.137 52.193 52.037 0.032 0.000 0.770 868 A CB 0.316 19.332 19.000 0.027 0.000 1.011 868 A HN 0.440 nan 8.150 nan 0.000 0.494 869 D N 0.656 121.092 120.400 0.060 0.000 2.301 869 D HA 0.113 4.761 4.640 0.014 0.000 0.206 869 D C -0.065 176.298 176.300 0.104 0.000 0.979 869 D CA 1.081 55.126 54.000 0.075 0.000 0.874 869 D CB 0.412 41.257 40.800 0.075 0.000 0.968 869 D HN 0.249 nan 8.370 nan 0.000 0.510 870 V N 1.353 121.324 119.914 0.096 0.000 2.709 870 V HA 0.352 4.480 4.120 0.014 0.000 0.308 870 V C -0.293 175.818 176.094 0.029 0.000 1.062 870 V CA -0.813 61.539 62.300 0.087 0.000 0.901 870 V CB 2.918 34.767 31.823 0.044 0.000 1.003 870 V HN -0.266 nan 8.190 nan 0.000 0.425 871 V N 3.064 123.051 119.914 0.122 0.000 2.588 871 V HA 0.557 4.685 4.120 0.014 0.000 0.304 871 V C -1.335 174.974 176.094 0.359 0.000 1.042 871 V CA -0.566 61.822 62.300 0.147 0.000 0.877 871 V CB 2.203 34.106 31.823 0.134 0.000 0.996 871 V HN 0.832 nan 8.190 nan 0.000 0.425 872 W N 3.882 125.221 121.300 0.066 0.000 2.587 872 W HA 0.760 5.429 4.660 0.015 0.000 0.324 872 W C -0.003 176.565 176.519 0.080 0.000 1.040 872 W CA -1.313 56.087 57.345 0.091 0.000 1.222 872 W CB 1.613 31.119 29.460 0.078 0.000 1.381 872 W HN 0.415 nan 8.180 nan 0.000 0.483 873 K N 0.989 121.557 120.400 0.280 0.000 2.495 873 K HA 0.515 4.843 4.320 0.014 0.000 0.268 873 K C 0.177 176.811 176.600 0.057 0.000 1.008 873 K CA -0.806 55.561 56.287 0.134 0.000 0.882 873 K CB 2.745 35.304 32.500 0.099 0.000 1.443 873 K HN 0.050 nan 8.250 nan 0.000 0.447 874 V N 0.360 120.188 119.914 -0.143 0.000 2.391 874 V HA -0.018 4.110 4.120 0.014 0.000 0.237 874 V C 0.470 176.492 176.094 -0.120 0.000 1.046 874 V CA 1.030 63.061 62.300 -0.450 0.000 1.053 874 V CB -0.016 31.463 31.823 -0.574 0.000 0.704 874 V HN 0.576 nan 8.190 nan 0.000 0.475 875 Q N 0.403 120.151 119.800 -0.087 0.000 2.215 875 Q HA 0.399 4.747 4.340 0.014 0.000 0.256 875 Q C -0.174 175.840 176.000 0.022 0.000 0.972 875 Q CA -0.773 55.012 55.803 -0.030 0.000 0.889 875 Q CB 1.425 30.115 28.738 -0.080 0.000 1.281 875 Q HN 0.527 nan 8.270 nan 0.000 0.456 876 R N 1.200 121.725 120.500 0.041 0.000 2.638 876 R HA 0.136 4.484 4.340 0.014 0.000 0.268 876 R C -2.321 173.995 176.300 0.028 0.000 1.006 876 R CA -1.053 55.076 56.100 0.048 0.000 1.088 876 R CB -0.536 29.792 30.300 0.047 0.000 0.950 876 R HN 0.240 nan 8.270 nan 0.000 0.419 877 P HA -0.032 nan 4.420 nan 0.000 0.269 877 P C -0.463 176.846 177.300 0.016 0.000 1.215 877 P CA 0.103 63.218 63.100 0.026 0.000 0.780 877 P CB 0.704 32.424 31.700 0.034 0.000 0.898 878 M N 1.356 120.962 119.600 0.010 0.000 2.274 878 M HA 0.246 4.734 4.480 0.014 0.000 0.344 878 M C 1.129 177.434 176.300 0.008 0.000 1.161 878 M CA -0.073 55.231 55.300 0.006 0.000 1.126 878 M CB 0.838 33.439 32.600 0.002 0.000 1.522 878 M HN 0.379 nan 8.290 nan 0.000 0.461 879 T N -1.017 113.541 114.554 0.006 0.000 2.927 879 T HA 0.564 4.923 4.350 0.014 0.000 0.281 879 T C 1.079 175.782 174.700 0.005 0.000 0.998 879 T CA -0.505 61.599 62.100 0.007 0.000 1.019 879 T CB 1.444 70.315 68.868 0.006 0.000 1.061 879 T HN 0.691 nan 8.240 nan 0.000 0.518 880 A N 0.570 123.393 122.820 0.005 0.000 1.986 880 A HA -0.124 4.204 4.320 0.014 0.000 0.220 880 A C 2.009 179.595 177.584 0.003 0.000 1.171 880 A CA 1.821 53.861 52.037 0.004 0.000 0.640 880 A CB -1.081 17.922 19.000 0.004 0.000 0.811 880 A HN 0.885 nan 8.150 nan 0.000 0.451 881 E N 0.252 120.454 120.200 0.003 0.000 2.338 881 E HA -0.093 4.265 4.350 0.014 0.000 0.197 881 E C 1.297 177.897 176.600 0.001 0.000 1.007 881 E CA 1.176 57.577 56.400 0.002 0.000 0.849 881 E CB -0.140 29.561 29.700 0.002 0.000 0.774 881 E HN 0.818 nan 8.360 nan 0.000 0.506 882 E N -0.815 119.385 120.200 0.001 0.000 2.476 882 E HA 0.324 4.683 4.350 0.014 0.000 0.196 882 E C 0.918 177.518 176.600 -0.001 0.000 1.029 882 E CA 0.226 56.626 56.400 -0.001 0.000 0.896 882 E CB 0.845 30.544 29.700 -0.001 0.000 1.012 882 E HN 0.225 nan 8.360 nan 0.000 0.475 883 G N 1.788 110.588 108.800 -0.000 0.000 2.222 883 G HA2 -0.242 3.726 3.960 0.014 0.000 0.218 883 G HA3 -0.242 3.726 3.960 0.014 0.000 0.218 883 G C 0.171 175.072 174.900 0.001 0.000 1.450 883 G CA -0.292 44.808 45.100 -0.000 0.000 1.361 883 G HN 0.252 nan 8.290 nan 0.000 0.474 884 T N 0.305 114.859 114.554 0.001 0.000 2.794 884 T HA 0.501 4.859 4.350 0.014 0.000 0.296 884 T C -0.484 174.219 174.700 0.004 0.000 0.949 884 T CA 0.332 62.434 62.100 0.003 0.000 1.101 884 T CB 1.869 70.739 68.868 0.002 0.000 0.905 884 T HN 0.447 nan 8.240 nan 0.000 0.516 885 D N 2.447 122.850 120.400 0.006 0.000 2.470 885 D HA 0.082 4.730 4.640 0.014 0.000 0.226 885 D C 0.947 177.253 176.300 0.010 0.000 1.196 885 D CA -0.165 53.839 54.000 0.008 0.000 0.979 885 D CB 0.386 41.190 40.800 0.007 0.000 1.059 885 D HN 0.687 nan 8.370 nan 0.000 0.515 886 E N 1.421 121.628 120.200 0.012 0.000 2.208 886 E HA -0.088 4.271 4.350 0.014 0.000 0.193 886 E C 1.993 178.605 176.600 0.020 0.000 0.988 886 E CA 0.484 56.893 56.400 0.016 0.000 0.828 886 E CB 0.499 30.209 29.700 0.017 0.000 0.763 886 E HN 0.333 nan 8.360 nan 0.000 0.478 887 V N 1.607 121.533 119.914 0.019 0.000 2.343 887 V HA -0.279 3.850 4.120 0.014 0.000 0.247 887 V C 2.373 178.478 176.094 0.019 0.000 1.051 887 V CA 1.860 64.172 62.300 0.021 0.000 1.036 887 V CB -0.682 31.151 31.823 0.017 0.000 0.654 887 V HN 0.308 nan 8.190 nan 0.000 0.451 888 A N -0.446 122.383 122.820 0.015 0.000 2.070 888 A HA -0.130 4.198 4.320 0.014 0.000 0.220 888 A C 2.007 179.600 177.584 0.016 0.000 1.159 888 A CA 1.512 53.557 52.037 0.014 0.000 0.656 888 A CB -0.433 18.574 19.000 0.011 0.000 0.800 888 A HN 0.458 nan 8.150 nan 0.000 0.453 889 L N -0.389 120.844 121.223 0.018 0.000 2.313 889 L HA 0.153 4.501 4.340 0.014 0.000 0.214 889 L C 0.802 177.686 176.870 0.024 0.000 1.119 889 L CA 0.678 55.529 54.840 0.019 0.000 0.809 889 L CB -0.453 41.617 42.059 0.019 0.000 0.933 889 L HN 0.308 nan 8.230 nan 0.000 0.449 890 I N 0.241 120.828 120.570 0.028 0.000 2.441 890 I HA 0.033 4.211 4.170 0.014 0.000 0.287 890 I C 0.898 177.032 176.117 0.029 0.000 1.049 890 I CA -0.329 60.992 61.300 0.034 0.000 1.381 890 I CB 0.598 38.623 38.000 0.042 0.000 1.409 890 I HN 0.045 nan 8.210 nan 0.000 0.523 891 K N 5.583 126.001 120.400 0.031 0.000 2.440 891 K HA -0.026 4.302 4.320 0.014 0.000 0.270 891 K C 1.067 177.683 176.600 0.026 0.000 0.980 891 K CA -0.260 56.042 56.287 0.026 0.000 0.953 891 K CB 0.723 33.240 32.500 0.027 0.000 0.925 891 K HN 0.540 nan 8.250 nan 0.000 0.497 892 E N 2.212 122.424 120.200 0.021 0.000 2.054 892 E HA -0.226 4.132 4.350 0.014 0.000 0.225 892 E C 1.270 177.882 176.600 0.020 0.000 1.048 892 E CA 2.215 58.625 56.400 0.018 0.000 0.899 892 E CB -0.554 29.155 29.700 0.014 0.000 0.801 892 E HN 0.883 nan 8.360 nan 0.000 0.495 893 G N 0.373 109.186 108.800 0.022 0.000 3.379 893 G HA2 0.359 4.327 3.960 0.014 0.000 0.253 893 G HA3 0.359 4.327 3.960 0.014 0.000 0.253 893 G C 0.222 175.144 174.900 0.038 0.000 1.262 893 G CA 0.397 45.512 45.100 0.025 0.000 0.959 893 G HN 0.337 nan 8.290 nan 0.000 0.524 894 A N -0.468 122.379 122.820 0.045 0.000 2.296 894 A HA 0.650 4.978 4.320 0.014 0.000 0.264 894 A C -0.121 177.513 177.584 0.084 0.000 1.097 894 A CA -0.203 51.874 52.037 0.066 0.000 0.811 894 A CB 0.970 20.009 19.000 0.065 0.000 1.072 894 A HN 0.273 nan 8.150 nan 0.000 0.495 895 V N 0.814 120.805 119.914 0.128 0.000 2.435 895 V HA 0.434 4.562 4.120 0.014 0.000 0.290 895 V C -0.503 175.724 176.094 0.221 0.000 1.030 895 V CA -0.338 62.075 62.300 0.188 0.000 0.881 895 V CB 1.073 33.065 31.823 0.281 0.000 0.983 895 V HN 0.734 nan 8.190 nan 0.000 0.445 896 L N 6.526 127.877 121.223 0.213 0.000 2.341 896 L HA 0.736 5.084 4.340 0.014 0.000 0.278 896 L C -0.562 176.496 176.870 0.313 0.000 1.005 896 L CA -0.113 54.866 54.840 0.232 0.000 0.818 896 L CB 1.620 43.760 42.059 0.136 0.000 1.259 896 L HN 0.651 nan 8.230 nan 0.000 0.418 897 M N 6.414 126.226 119.600 0.353 0.000 2.204 897 M HA 0.647 5.135 4.480 0.014 0.000 0.293 897 M C -1.006 175.393 176.300 0.164 0.000 0.994 897 M CA -0.508 54.957 55.300 0.275 0.000 0.925 897 M CB 1.721 34.483 32.600 0.270 0.000 1.577 897 M HN 0.910 nan 8.290 nan 0.000 0.439 898 C N -0.686 118.683 119.300 0.115 0.000 3.167 898 C HA 0.399 4.867 4.460 0.014 0.000 0.348 898 C C -0.867 174.223 174.990 0.166 0.000 1.394 898 C CA -1.052 58.077 59.018 0.185 0.000 1.204 898 C CB 1.561 29.408 27.740 0.179 0.000 1.467 898 C HN 0.931 nan 8.230 nan 0.000 0.446 899 H N 1.534 120.712 119.070 0.180 0.000 3.004 899 H HA 0.364 4.927 4.556 0.011 0.000 0.267 899 H C 0.392 175.748 175.328 0.046 0.000 1.165 899 H CA 0.126 56.238 56.048 0.106 0.000 1.450 899 H CB 1.106 30.965 29.762 0.163 0.000 1.488 899 H HN 0.721 nan 8.280 nan 0.000 0.478 900 L N 4.341 125.656 121.223 0.152 0.000 2.554 900 L HA 0.164 4.512 4.340 0.014 0.000 0.226 900 L C 1.605 178.555 176.870 0.133 0.000 1.137 900 L CA 1.181 56.090 54.840 0.114 0.000 0.863 900 L CB -0.190 41.883 42.059 0.023 0.000 0.985 900 L HN 0.960 nan 8.230 nan 0.000 0.451 901 G N -0.632 108.315 108.800 0.245 0.000 2.356 901 G HA2 -0.357 3.611 3.960 0.014 0.000 0.296 901 G HA3 -0.357 3.611 3.960 0.014 0.000 0.296 901 G C 1.184 176.118 174.900 0.057 0.000 1.022 901 G CA 0.712 45.916 45.100 0.172 0.000 0.961 901 G HN 0.723 nan 8.290 nan 0.000 0.510 902 A N -0.227 122.595 122.820 0.003 0.000 1.877 902 A HA 0.139 4.467 4.320 0.014 0.000 0.216 902 A C 2.151 179.718 177.584 -0.029 0.000 1.186 902 A CA 1.957 53.972 52.037 -0.036 0.000 0.620 902 A CB -0.252 18.684 19.000 -0.107 0.000 0.822 902 A HN 1.509 nan 8.150 nan 0.000 0.443 903 L N -1.094 120.110 121.223 -0.031 0.000 2.718 903 L HA 0.323 4.671 4.340 0.014 0.000 0.242 903 L C 0.761 177.635 176.870 0.007 0.000 1.203 903 L CA 1.360 56.192 54.840 -0.013 0.000 1.011 903 L CB -0.981 41.067 42.059 -0.019 0.000 1.250 903 L HN 0.329 nan 8.230 nan 0.000 0.437 904 T N -5.936 108.625 114.554 0.013 0.000 3.328 904 T HA 0.256 4.614 4.350 0.014 0.000 0.297 904 T C 0.210 174.918 174.700 0.014 0.000 0.882 904 T CA -0.379 61.730 62.100 0.016 0.000 0.906 904 T CB -0.306 68.577 68.868 0.024 0.000 1.210 904 T HN 0.325 nan 8.240 nan 0.000 0.631 905 N N 0.187 118.895 118.700 0.013 0.000 2.331 905 N HA 0.495 5.244 4.740 0.014 0.000 0.280 905 N C -0.326 175.189 175.510 0.008 0.000 1.155 905 N CA -0.575 52.482 53.050 0.011 0.000 0.822 905 N CB 2.515 41.011 38.487 0.015 0.000 1.619 905 N HN 0.129 nan 8.380 nan 0.000 0.476 906 R N 1.286 121.790 120.500 0.007 0.000 2.562 906 R HA 0.208 4.556 4.340 0.014 0.000 0.191 906 R C -1.334 174.969 176.300 0.006 0.000 0.835 906 R CA 0.154 56.258 56.100 0.006 0.000 1.036 906 R CB -0.402 29.902 30.300 0.007 0.000 1.437 906 R HN 0.344 nan 8.270 nan 0.000 0.654 907 P HA -0.224 nan 4.420 nan 0.000 0.217 907 P C 1.511 178.815 177.300 0.006 0.000 1.151 907 P CA 1.237 64.341 63.100 0.006 0.000 0.849 907 P CB 0.151 31.854 31.700 0.005 0.000 0.787 908 V N -0.787 119.132 119.914 0.008 0.000 2.407 908 V HA -0.154 3.975 4.120 0.014 0.000 0.245 908 V C 2.074 178.173 176.094 0.008 0.000 1.041 908 V CA 1.655 63.961 62.300 0.010 0.000 1.040 908 V CB -0.823 31.008 31.823 0.014 0.000 0.671 908 V HN -0.102 nan 8.190 nan 0.000 0.455 909 V N 0.501 120.418 119.914 0.005 0.000 2.407 909 V HA -0.264 3.865 4.120 0.014 0.000 0.248 909 V C 2.494 178.589 176.094 0.001 0.000 1.055 909 V CA 2.479 64.779 62.300 0.000 0.000 1.049 909 V CB -0.779 31.043 31.823 -0.002 0.000 0.662 909 V HN 0.754 nan 8.190 nan 0.000 0.455 910 E N 0.483 120.685 120.200 0.003 0.000 2.077 910 E HA -0.223 4.136 4.350 0.014 0.000 0.193 910 E C 2.245 178.847 176.600 0.004 0.000 0.989 910 E CA 1.384 57.786 56.400 0.004 0.000 0.800 910 E CB -0.224 29.479 29.700 0.004 0.000 0.746 910 E HN 0.556 nan 8.360 nan 0.000 0.452 911 A N 1.040 123.863 122.820 0.005 0.000 1.933 911 A HA -0.130 4.199 4.320 0.014 0.000 0.218 911 A C 2.206 179.794 177.584 0.007 0.000 1.175 911 A CA 1.057 53.098 52.037 0.006 0.000 0.628 911 A CB -0.581 18.424 19.000 0.008 0.000 0.814 911 A HN 0.311 nan 8.150 nan 0.000 0.444 912 L N -0.842 120.384 121.223 0.006 0.000 2.056 912 L HA -0.141 4.207 4.340 0.014 0.000 0.207 912 L C 2.758 179.628 176.870 -0.000 0.000 1.078 912 L CA 1.695 56.537 54.840 0.004 0.000 0.749 912 L CB -0.916 41.144 42.059 0.001 0.000 0.901 912 L HN 0.333 nan 8.230 nan 0.000 0.433 913 T N 0.243 114.796 114.554 -0.002 0.000 2.746 913 T HA -0.185 4.174 4.350 0.014 0.000 0.267 913 T C 1.714 176.414 174.700 -0.000 0.000 1.039 913 T CA 1.627 63.725 62.100 -0.004 0.000 1.142 913 T CB -0.180 68.687 68.868 -0.003 0.000 0.866 913 T HN 0.458 nan 8.240 nan 0.000 0.444 914 K N 1.179 121.580 120.400 0.002 0.000 2.280 914 K HA 0.003 4.332 4.320 0.014 0.000 0.202 914 K C 1.914 178.517 176.600 0.005 0.000 1.047 914 K CA 0.964 57.253 56.287 0.004 0.000 0.942 914 K CB -0.082 32.421 32.500 0.004 0.000 0.739 914 K HN 0.177 nan 8.250 nan 0.000 0.457 915 R N 1.079 121.582 120.500 0.006 0.000 2.427 915 R HA 0.161 4.509 4.340 0.014 0.000 0.262 915 R C -0.440 175.864 176.300 0.008 0.000 0.943 915 R CA -0.128 55.977 56.100 0.008 0.000 1.081 915 R CB 0.167 30.474 30.300 0.011 0.000 1.166 915 R HN 0.134 nan 8.270 nan 0.000 0.534 916 K N 0.736 121.138 120.400 0.004 0.000 3.035 916 K HA -0.192 4.136 4.320 0.014 0.000 0.262 916 K C -0.475 176.126 176.600 0.001 0.000 1.024 916 K CA 0.638 56.926 56.287 0.001 0.000 0.748 916 K CB -1.539 30.964 32.500 0.004 0.000 1.247 916 K HN 0.292 nan 8.250 nan 0.000 0.482 917 I N 1.055 121.625 120.570 -0.001 0.000 2.428 917 I HA 0.028 4.206 4.170 0.014 0.000 0.289 917 I C 0.854 176.954 176.117 -0.028 0.000 1.019 917 I CA -0.206 61.095 61.300 0.001 0.000 1.351 917 I CB 1.395 39.403 38.000 0.013 0.000 1.412 917 I HN -0.019 nan 8.210 nan 0.000 0.513 918 T N 6.370 120.901 114.554 -0.038 0.000 2.723 918 T HA 0.474 4.832 4.350 0.014 0.000 0.297 918 T C 0.036 174.614 174.700 -0.204 0.000 0.925 918 T CA -0.444 61.574 62.100 -0.137 0.000 1.030 918 T CB 0.582 69.384 68.868 -0.110 0.000 0.905 918 T HN 0.660 nan 8.240 nan 0.000 0.502 919 A N 3.959 126.619 122.820 -0.266 0.000 2.318 919 A HA 0.706 5.034 4.320 0.014 0.000 0.324 919 A C -1.268 176.109 177.584 -0.345 0.000 1.170 919 A CA -0.686 51.233 52.037 -0.197 0.000 0.810 919 A CB 0.605 19.560 19.000 -0.074 0.000 1.198 919 A HN 0.790 nan 8.150 nan 0.000 0.484 920 Y N 1.321 121.661 120.300 0.066 0.000 2.356 920 Y HA 0.498 5.056 4.550 0.013 0.000 0.334 920 Y C 0.705 176.562 175.900 -0.072 0.000 0.958 920 Y CA -0.513 57.605 58.100 0.030 0.000 1.196 920 Y CB 1.792 40.334 38.460 0.136 0.000 1.137 920 Y HN 0.773 nan 8.280 nan 0.000 0.485 921 A N 5.097 127.912 122.820 -0.009 0.000 2.539 921 A HA 0.223 4.551 4.320 0.014 0.000 0.306 921 A C 1.135 178.590 177.584 -0.215 0.000 1.392 921 A CA -0.445 51.525 52.037 -0.112 0.000 1.060 921 A CB -0.032 18.874 19.000 -0.158 0.000 1.134 921 A HN 0.844 nan 8.150 nan 0.000 0.542 922 M N 1.592 121.033 119.600 -0.265 0.000 2.267 922 M HA -0.151 4.337 4.480 0.014 0.000 0.263 922 M C 2.077 178.138 176.300 -0.398 0.000 1.063 922 M CA 1.600 56.654 55.300 -0.410 0.000 1.090 922 M CB -0.884 31.453 32.600 -0.438 0.000 1.392 922 M HN 0.928 nan 8.290 nan 0.000 0.422 923 E N 0.392 120.330 120.200 -0.437 0.000 2.418 923 E HA -0.114 4.245 4.350 0.014 0.000 0.197 923 E C 1.528 177.962 176.600 -0.276 0.000 1.026 923 E CA 0.757 56.892 56.400 -0.441 0.000 0.862 923 E CB -0.572 28.679 29.700 -0.749 0.000 0.799 923 E HN 0.507 nan 8.360 nan 0.000 0.518 924 L N 0.622 121.695 121.223 -0.250 0.000 2.628 924 L HA 0.237 4.585 4.340 0.014 0.000 0.229 924 L C 0.950 177.743 176.870 -0.128 0.000 1.137 924 L CA -0.623 54.112 54.840 -0.174 0.000 0.909 924 L CB -0.208 41.727 42.059 -0.205 0.000 1.137 924 L HN 0.068 nan 8.230 nan 0.000 0.470 925 M N 2.277 121.767 119.600 -0.182 0.000 2.336 925 M HA 0.047 4.536 4.480 0.014 0.000 0.371 925 M C -2.130 174.125 176.300 -0.076 0.000 1.542 925 M CA -1.354 53.852 55.300 -0.157 0.000 0.959 925 M CB -0.187 32.286 32.600 -0.212 0.000 2.033 925 M HN -0.228 nan 8.290 nan 0.000 0.472 926 P HA 0.011 nan 4.420 nan 0.000 0.264 926 P C -0.789 176.504 177.300 -0.012 0.000 1.183 926 P CA 0.164 63.264 63.100 -0.001 0.000 0.763 926 P CB 0.408 32.124 31.700 0.025 0.000 0.807 927 R N 3.005 123.500 120.500 -0.008 0.000 4.980 927 R HA 0.139 4.487 4.340 0.014 0.000 0.190 927 R C 0.380 176.678 176.300 -0.004 0.000 2.095 927 R CA 0.067 56.160 56.100 -0.011 0.000 1.717 927 R CB -1.504 28.792 30.300 -0.007 0.000 1.337 927 R HN 0.519 nan 8.270 nan 0.000 0.820 928 I N -3.655 116.914 120.570 -0.002 0.000 2.460 928 I HA 0.366 4.544 4.170 0.014 0.000 0.298 928 I C 1.455 177.572 176.117 -0.001 0.000 0.989 928 I CA -0.580 60.721 61.300 0.003 0.000 1.173 928 I CB 2.176 40.183 38.000 0.012 0.000 1.338 928 I HN 0.043 nan 8.210 nan 0.000 0.456 929 S N 4.924 120.623 115.700 -0.001 0.000 2.381 929 S HA -0.287 4.191 4.470 0.014 0.000 0.230 929 S C 1.965 176.563 174.600 -0.003 0.000 1.052 929 S CA 2.440 60.638 58.200 -0.003 0.000 1.068 929 S CB -0.408 62.790 63.200 -0.003 0.000 0.918 929 S HN 0.917 nan 8.310 nan 0.000 0.448 930 R N 0.511 121.012 120.500 0.001 0.000 2.280 930 R HA 0.219 4.568 4.340 0.014 0.000 0.207 930 R C 1.805 178.108 176.300 0.006 0.000 1.043 930 R CA 1.100 57.201 56.100 0.002 0.000 1.006 930 R CB -0.446 29.858 30.300 0.005 0.000 0.885 930 R HN 0.383 nan 8.270 nan 0.000 0.467 931 A N 0.897 123.720 122.820 0.005 0.000 2.275 931 A HA 0.083 4.412 4.320 0.014 0.000 0.212 931 A C 1.620 179.191 177.584 -0.022 0.000 1.201 931 A CA -0.240 51.799 52.037 0.004 0.000 0.843 931 A CB -0.001 19.003 19.000 0.006 0.000 0.873 931 A HN 0.403 nan 8.150 nan 0.000 0.492 932 Q N 0.417 120.204 119.800 -0.021 0.000 2.077 932 Q HA -0.200 4.149 4.340 0.014 0.000 0.206 932 Q C 2.260 178.234 176.000 -0.042 0.000 0.989 932 Q CA 2.069 57.853 55.803 -0.031 0.000 0.853 932 Q CB -0.345 28.380 28.738 -0.022 0.000 0.907 932 Q HN 0.817 nan 8.270 nan 0.000 0.418 933 S N -0.379 115.302 115.700 -0.032 0.000 2.507 933 S HA -0.061 4.418 4.470 0.014 0.000 0.235 933 S C 1.616 176.180 174.600 -0.059 0.000 0.988 933 S CA 0.859 59.036 58.200 -0.038 0.000 0.944 933 S CB -0.070 63.118 63.200 -0.021 0.000 0.762 933 S HN 0.296 nan 8.310 nan 0.000 0.526 934 M N 0.665 120.226 119.600 -0.065 0.000 2.333 934 M HA 0.318 4.807 4.480 0.014 0.000 0.257 934 M C -0.150 176.032 176.300 -0.198 0.000 1.078 934 M CA -0.113 55.124 55.300 -0.105 0.000 1.005 934 M CB 0.129 32.717 32.600 -0.019 0.000 1.444 934 M HN 0.088 nan 8.290 nan 0.000 0.496 935 D N 1.891 122.195 120.400 -0.161 0.000 2.352 935 D HA 0.136 4.784 4.640 0.014 0.000 0.245 935 D C 1.283 177.459 176.300 -0.206 0.000 1.224 935 D CA -0.083 53.810 54.000 -0.179 0.000 0.879 935 D CB 0.691 41.424 40.800 -0.112 0.000 1.057 935 D HN 0.371 nan 8.370 nan 0.000 0.491 936 I N 0.895 121.286 120.570 -0.297 0.000 2.546 936 I HA -0.106 4.072 4.170 0.014 0.000 0.255 936 I C 1.138 177.191 176.117 -0.107 0.000 1.163 936 I CA 0.422 61.539 61.300 -0.305 0.000 1.457 936 I CB -0.085 37.586 38.000 -0.548 0.000 1.092 936 I HN 0.277 nan 8.210 nan 0.000 0.434 937 L N 1.046 122.213 121.223 -0.093 0.000 2.046 937 L HA -0.154 4.194 4.340 0.014 0.000 0.208 937 L C 2.901 179.767 176.870 -0.006 0.000 1.077 937 L CA 2.026 56.854 54.840 -0.020 0.000 0.747 937 L CB -1.153 40.885 42.059 -0.036 0.000 0.896 937 L HN 0.398 nan 8.230 nan 0.000 0.432 938 S N -0.929 114.751 115.700 -0.032 0.000 2.345 938 S HA -0.171 4.307 4.470 0.014 0.000 0.220 938 S C 2.320 176.916 174.600 -0.007 0.000 1.031 938 S CA 1.468 59.657 58.200 -0.017 0.000 0.996 938 S CB -0.360 62.822 63.200 -0.030 0.000 0.882 938 S HN 0.619 nan 8.310 nan 0.000 0.445 939 S N 0.887 116.572 115.700 -0.026 0.000 2.382 939 S HA -0.126 4.352 4.470 0.014 0.000 0.228 939 S C 1.923 176.540 174.600 0.027 0.000 1.027 939 S CA 0.965 59.159 58.200 -0.010 0.000 0.991 939 S CB -0.623 62.556 63.200 -0.035 0.000 0.823 939 S HN 0.526 nan 8.310 nan 0.000 0.469 940 Q N 1.685 121.516 119.800 0.051 0.000 2.096 940 Q HA 0.022 4.371 4.340 0.014 0.000 0.197 940 Q C 2.773 178.815 176.000 0.070 0.000 0.964 940 Q CA 1.667 57.521 55.803 0.086 0.000 0.838 940 Q CB -0.957 27.865 28.738 0.139 0.000 0.906 940 Q HN 0.835 nan 8.270 nan 0.000 0.444 941 S N 1.084 116.819 115.700 0.059 0.000 2.423 941 S HA -0.146 4.332 4.470 0.014 0.000 0.231 941 S C 1.699 176.336 174.600 0.062 0.000 1.014 941 S CA 1.218 59.453 58.200 0.058 0.000 0.965 941 S CB -0.420 62.809 63.200 0.049 0.000 0.785 941 S HN 0.406 nan 8.310 nan 0.000 0.495 942 N N 1.019 119.750 118.700 0.051 0.000 2.084 942 N HA -0.112 4.636 4.740 0.014 0.000 0.190 942 N C 1.556 177.115 175.510 0.081 0.000 1.030 942 N CA 1.492 54.575 53.050 0.055 0.000 0.849 942 N CB -0.225 38.280 38.487 0.031 0.000 1.012 942 N HN 0.313 nan 8.380 nan 0.000 0.423 943 L N 1.442 122.708 121.223 0.071 0.000 2.141 943 L HA -0.001 4.348 4.340 0.014 0.000 0.209 943 L C 2.564 179.530 176.870 0.160 0.000 1.094 943 L CA 1.292 56.192 54.840 0.099 0.000 0.763 943 L CB -1.193 40.901 42.059 0.058 0.000 0.908 943 L HN 0.191 nan 8.230 nan 0.000 0.437 944 A N -0.583 122.303 122.820 0.111 0.000 1.930 944 A HA -0.053 4.275 4.320 0.014 0.000 0.217 944 A C 2.434 180.080 177.584 0.102 0.000 1.175 944 A CA 1.480 53.576 52.037 0.098 0.000 0.627 944 A CB -1.170 17.875 19.000 0.074 0.000 0.815 944 A HN 0.419 nan 8.150 nan 0.000 0.443 945 G N -1.325 107.541 108.800 0.110 0.000 2.418 945 G HA2 -0.274 3.694 3.960 0.014 0.000 0.217 945 G HA3 -0.274 3.694 3.960 0.014 0.000 0.217 945 G C 1.551 176.522 174.900 0.119 0.000 1.158 945 G CA 1.286 46.449 45.100 0.103 0.000 0.771 945 G HN 0.660 nan 8.290 nan 0.000 0.545 946 Y N 1.504 121.822 120.300 0.031 0.000 2.145 946 Y HA -0.102 4.456 4.550 0.013 0.000 0.286 946 Y C 2.879 178.790 175.900 0.018 0.000 1.145 946 Y CA 2.126 60.240 58.100 0.024 0.000 1.148 946 Y CB -0.216 38.253 38.460 0.015 0.000 0.981 946 Y HN 0.140 nan 8.280 nan 0.000 0.507 947 R N 1.193 121.690 120.500 -0.006 0.000 2.120 947 R HA -0.111 4.238 4.340 0.014 0.000 0.234 947 R C 2.247 178.475 176.300 -0.120 0.000 1.123 947 R CA 1.431 57.457 56.100 -0.123 0.000 0.975 947 R CB -1.033 29.299 30.300 0.052 0.000 0.866 947 R HN 0.510 nan 8.270 nan 0.000 0.446 948 A N -0.428 122.369 122.820 -0.038 0.000 1.908 948 A HA -0.112 4.216 4.320 0.014 0.000 0.218 948 A C 2.254 179.823 177.584 -0.026 0.000 1.181 948 A CA 1.810 53.848 52.037 0.003 0.000 0.627 948 A CB -0.632 18.390 19.000 0.037 0.000 0.818 948 A HN 0.184 nan 8.150 nan 0.000 0.445 949 V N 0.483 120.347 119.914 -0.084 0.000 2.358 949 V HA -0.208 3.920 4.120 0.014 0.000 0.246 949 V C 2.421 178.391 176.094 -0.207 0.000 1.047 949 V CA 1.534 63.785 62.300 -0.082 0.000 1.035 949 V CB -0.659 31.118 31.823 -0.076 0.000 0.658 949 V HN 0.495 nan 8.190 nan 0.000 0.452 950 I N 0.363 120.733 120.570 -0.334 0.000 2.179 950 I HA -0.205 3.973 4.170 0.014 0.000 0.242 950 I C 2.297 178.340 176.117 -0.122 0.000 1.088 950 I CA 1.706 62.822 61.300 -0.306 0.000 1.357 950 I CB -1.263 36.496 38.000 -0.401 0.000 1.051 950 I HN 0.351 nan 8.210 nan 0.000 0.409 951 D N 0.728 121.089 120.400 -0.064 0.000 2.178 951 D HA -0.094 4.554 4.640 0.014 0.000 0.202 951 D C 2.238 178.619 176.300 0.134 0.000 0.974 951 D CA 1.397 55.436 54.000 0.065 0.000 0.841 951 D CB -0.244 40.631 40.800 0.124 0.000 0.953 951 D HN 0.377 nan 8.370 nan 0.000 0.478 952 G N 1.001 109.849 108.800 0.079 0.000 2.433 952 G HA2 -0.183 3.785 3.960 0.014 0.000 0.216 952 G HA3 -0.183 3.785 3.960 0.014 0.000 0.216 952 G C 1.741 176.744 174.900 0.171 0.000 1.186 952 G CA 1.190 46.365 45.100 0.125 0.000 0.779 952 G HN 0.369 nan 8.290 nan 0.000 0.543 953 A N -0.235 122.584 122.820 -0.003 0.000 1.933 953 A HA -0.043 4.286 4.320 0.014 0.000 0.218 953 A C 2.209 179.853 177.584 0.101 0.000 1.175 953 A CA 1.709 53.687 52.037 -0.098 0.000 0.628 953 A CB -0.645 17.956 19.000 -0.665 0.000 0.814 953 A HN 0.482 nan 8.150 nan 0.000 0.444 954 Y N 0.725 121.016 120.300 -0.016 0.000 2.181 954 Y HA -0.149 4.409 4.550 0.014 0.000 0.288 954 Y C 2.082 178.026 175.900 0.074 0.000 1.146 954 Y CA 2.060 60.170 58.100 0.016 0.000 1.164 954 Y CB 0.103 38.563 38.460 0.000 0.000 0.982 954 Y HN 0.324 nan 8.280 nan 0.000 0.515 955 E N -0.602 119.702 120.200 0.174 0.000 2.371 955 E HA -0.062 4.296 4.350 0.014 0.000 0.194 955 E C -0.179 176.525 176.600 0.174 0.000 1.012 955 E CA 0.073 56.546 56.400 0.121 0.000 0.860 955 E CB -0.327 29.481 29.700 0.180 0.000 0.811 955 E HN 0.222 nan 8.360 nan 0.000 0.502 956 F N 1.342 121.315 119.950 0.039 0.000 2.412 956 F HA 0.298 4.834 4.527 0.015 0.000 0.348 956 F C 1.081 176.893 175.800 0.020 0.000 1.102 956 F CA -1.057 56.983 58.000 0.068 0.000 1.196 956 F CB 1.107 40.221 39.000 0.190 0.000 1.144 956 F HN -0.159 nan 8.300 nan 0.000 0.541 957 A N 6.547 129.167 122.820 -0.335 0.000 2.302 957 A HA 0.291 4.619 4.320 0.014 0.000 0.219 957 A C 0.754 178.040 177.584 -0.497 0.000 1.243 957 A CA 0.027 51.859 52.037 -0.342 0.000 0.856 957 A CB -0.342 18.527 19.000 -0.219 0.000 0.893 957 A HN 0.747 nan 8.150 nan 0.000 0.491 958 R N -1.791 118.183 120.500 -0.878 0.000 2.888 958 R HA 0.688 5.036 4.340 0.014 0.000 0.264 958 R C -0.528 175.661 176.300 -0.185 0.000 1.045 958 R CA -0.375 55.374 56.100 -0.585 0.000 0.962 958 R CB 1.769 31.616 30.300 -0.755 0.000 1.210 958 R HN 0.212 nan 8.270 nan 0.000 0.479 959 A N 0.881 123.710 122.820 0.015 0.000 2.310 959 A HA 0.351 4.679 4.320 0.014 0.000 0.299 959 A C 0.301 178.105 177.584 0.366 0.000 1.147 959 A CA -0.399 51.749 52.037 0.184 0.000 0.818 959 A CB 0.116 19.175 19.000 0.099 0.000 1.096 959 A HN 0.820 nan 8.150 nan 0.000 0.495 960 F N 1.859 121.900 119.950 0.152 0.000 2.075 960 F HA -0.021 4.514 4.527 0.013 0.000 0.297 960 F C -0.798 175.057 175.800 0.091 0.000 1.113 960 F CA 0.878 58.963 58.000 0.142 0.000 1.218 960 F CB -0.300 38.760 39.000 0.099 0.000 0.984 960 F HN 0.371 nan 8.300 nan 0.000 0.472 961 P HA -0.031 nan 4.420 nan 0.000 0.274 961 P C -0.654 176.703 177.300 0.096 0.000 1.231 961 P CA -0.083 63.104 63.100 0.145 0.000 0.790 961 P CB 0.846 32.620 31.700 0.123 0.000 0.951 962 M N 3.394 123.033 119.600 0.064 0.000 2.219 962 M HA 0.232 4.720 4.480 0.014 0.000 0.353 962 M C -0.722 175.602 176.300 0.041 0.000 1.304 962 M CA 0.438 55.764 55.300 0.044 0.000 1.115 962 M CB -0.154 32.464 32.600 0.030 0.000 1.664 962 M HN 0.290 nan 8.290 nan 0.000 0.459 963 M N 6.616 126.236 119.600 0.034 0.000 2.197 963 M HA 0.401 4.889 4.480 0.014 0.000 0.301 963 M C -1.345 174.967 176.300 0.019 0.000 0.987 963 M CA -0.244 55.073 55.300 0.028 0.000 0.921 963 M CB 2.107 34.724 32.600 0.029 0.000 1.569 963 M HN 0.673 nan 8.290 nan 0.000 0.431 964 M N 3.473 123.084 119.600 0.017 0.000 2.080 964 M HA 0.334 4.822 4.480 0.014 0.000 0.350 964 M C 0.039 176.346 176.300 0.011 0.000 1.143 964 M CA -0.426 54.882 55.300 0.013 0.000 1.064 964 M CB 0.902 33.510 32.600 0.012 0.000 1.429 964 M HN 0.705 nan 8.290 nan 0.000 0.418 965 T N -0.810 113.749 114.554 0.009 0.000 2.927 965 T HA 0.704 5.062 4.350 0.014 0.000 0.286 965 T C 1.023 175.726 174.700 0.005 0.000 1.040 965 T CA -0.497 61.608 62.100 0.007 0.000 1.010 965 T CB 1.728 70.599 68.868 0.006 0.000 1.177 965 T HN 0.533 nan 8.240 nan 0.000 0.546 966 A N 0.278 123.101 122.820 0.004 0.000 2.019 966 A HA 0.310 4.638 4.320 0.014 0.000 0.219 966 A C 2.375 179.960 177.584 0.002 0.000 1.164 966 A CA 1.551 53.590 52.037 0.003 0.000 0.644 966 A CB -1.339 17.663 19.000 0.003 0.000 0.805 966 A HN 1.267 nan 8.150 nan 0.000 0.449 967 A N -1.603 121.218 122.820 0.001 0.000 2.208 967 A HA 0.485 4.813 4.320 0.014 0.000 0.209 967 A C 1.206 178.789 177.584 -0.001 0.000 1.161 967 A CA 1.252 53.288 52.037 -0.000 0.000 0.782 967 A CB -0.606 18.393 19.000 -0.002 0.000 0.816 967 A HN 1.916 nan 8.150 nan 0.000 0.477 968 G N -2.309 106.492 108.800 0.001 0.000 2.351 968 G HA2 0.329 4.298 3.960 0.014 0.000 0.353 968 G HA3 0.329 4.298 3.960 0.014 0.000 0.353 968 G C -0.405 174.497 174.900 0.003 0.000 1.358 968 G CA -0.159 44.941 45.100 0.001 0.000 0.995 968 G HN 0.749 nan 8.290 nan 0.000 0.611 969 T N -0.745 113.811 114.554 0.004 0.000 2.799 969 T HA 0.572 4.930 4.350 0.014 0.000 0.286 969 T C 0.042 174.746 174.700 0.007 0.000 0.973 969 T CA -0.316 61.788 62.100 0.007 0.000 1.035 969 T CB 0.977 69.850 68.868 0.007 0.000 0.932 969 T HN 1.143 nan 8.240 nan 0.000 0.469 970 V N 9.556 129.476 119.914 0.010 0.000 2.370 970 V HA 0.428 4.557 4.120 0.014 0.000 0.279 970 V C -1.763 174.343 176.094 0.020 0.000 1.029 970 V CA -1.815 60.492 62.300 0.011 0.000 0.870 970 V CB 1.187 33.018 31.823 0.013 0.000 0.984 970 V HN 0.814 nan 8.190 nan 0.000 0.451 971 P HA 0.266 nan 4.420 nan 0.000 0.272 971 P C -2.677 174.643 177.300 0.034 0.000 1.223 971 P CA -1.431 61.682 63.100 0.022 0.000 0.784 971 P CB 0.474 32.185 31.700 0.018 0.000 0.923 972 P HA 0.178 nan 4.420 nan 0.000 0.276 972 P C -0.487 176.805 177.300 -0.013 0.000 1.244 972 P CA -0.294 62.817 63.100 0.018 0.000 0.801 972 P CB 0.602 32.303 31.700 0.002 0.000 1.006 973 A N 2.981 125.751 122.820 -0.083 0.000 2.351 973 A HA 0.351 4.679 4.320 0.014 0.000 0.257 973 A C 0.408 177.824 177.584 -0.280 0.000 1.087 973 A CA -0.402 51.502 52.037 -0.222 0.000 0.798 973 A CB 0.042 18.638 19.000 -0.674 0.000 1.033 973 A HN 0.401 nan 8.150 nan 0.000 0.488 974 R N 1.256 121.604 120.500 -0.253 0.000 2.295 974 R HA 0.499 4.847 4.340 0.014 0.000 0.324 974 R C -1.256 174.893 176.300 -0.252 0.000 0.968 974 R CA -0.434 55.547 56.100 -0.197 0.000 0.837 974 R CB 1.132 31.359 30.300 -0.121 0.000 1.133 974 R HN 0.415 nan 8.270 nan 0.000 0.450 975 V N 4.475 124.260 119.914 -0.214 0.000 2.581 975 V HA 0.486 4.614 4.120 0.014 0.000 0.303 975 V C -0.079 175.943 176.094 -0.119 0.000 1.041 975 V CA -0.914 61.280 62.300 -0.177 0.000 0.907 975 V CB 2.389 34.121 31.823 -0.150 0.000 0.994 975 V HN 0.572 nan 8.190 nan 0.000 0.442 976 L N 4.681 125.852 121.223 -0.087 0.000 2.372 976 L HA 0.596 4.944 4.340 0.014 0.000 0.273 976 L C -1.029 175.786 176.870 -0.091 0.000 0.989 976 L CA -0.467 54.286 54.840 -0.145 0.000 0.841 976 L CB 1.759 43.722 42.059 -0.160 0.000 1.225 976 L HN 0.461 nan 8.230 nan 0.000 0.414 977 V N 4.841 124.672 119.914 -0.137 0.000 2.407 977 V HA 0.345 4.473 4.120 0.014 0.000 0.278 977 V C -0.423 175.600 176.094 -0.119 0.000 1.037 977 V CA -0.219 62.068 62.300 -0.022 0.000 0.900 977 V CB 1.209 33.035 31.823 0.006 0.000 0.983 977 V HN 0.406 nan 8.190 nan 0.000 0.459 978 F N 2.802 122.739 119.950 -0.021 0.000 2.385 978 F HA 0.725 5.260 4.527 0.013 0.000 0.360 978 F C 0.809 176.608 175.800 -0.001 0.000 1.122 978 F CA -0.311 57.675 58.000 -0.024 0.000 1.090 978 F CB 1.553 40.537 39.000 -0.027 0.000 1.150 978 F HN 0.754 nan 8.300 nan 0.000 0.472 979 G N 2.199 111.088 108.800 0.147 0.000 3.383 979 G HA2 -0.004 3.964 3.960 0.014 0.000 0.685 979 G HA3 -0.004 3.964 3.960 0.014 0.000 0.685 979 G C -1.060 173.896 174.900 0.094 0.000 1.104 979 G CA -1.083 44.087 45.100 0.116 0.000 0.957 979 G HN 0.608 nan 8.290 nan 0.000 0.461 980 V N 3.497 123.468 119.914 0.096 0.000 2.615 980 V HA 0.607 4.735 4.120 0.014 0.000 0.308 980 V C 1.473 177.609 176.094 0.071 0.000 1.257 980 V CA 0.585 62.940 62.300 0.091 0.000 1.454 980 V CB 0.054 31.953 31.823 0.126 0.000 1.537 980 V HN 1.167 nan 8.190 nan 0.000 0.566 981 G N 0.347 109.185 108.800 0.062 0.000 2.574 981 G HA2 0.372 4.340 3.960 0.014 0.000 0.248 981 G HA3 0.372 4.340 3.960 0.014 0.000 0.248 981 G C 1.097 176.024 174.900 0.045 0.000 1.422 981 G CA 0.011 45.140 45.100 0.048 0.000 1.051 981 G HN 0.082 nan 8.290 nan 0.000 0.560 982 V N 0.985 120.922 119.914 0.038 0.000 2.332 982 V HA -0.164 3.964 4.120 0.014 0.000 0.248 982 V C 3.292 179.415 176.094 0.049 0.000 1.055 982 V CA 2.598 64.920 62.300 0.037 0.000 1.038 982 V CB -1.035 30.805 31.823 0.028 0.000 0.651 982 V HN 0.734 nan 8.190 nan 0.000 0.450 983 A N 0.389 123.241 122.820 0.054 0.000 1.930 983 A HA -0.006 4.322 4.320 0.014 0.000 0.217 983 A C 2.400 180.026 177.584 0.070 0.000 1.175 983 A CA 1.696 53.772 52.037 0.065 0.000 0.627 983 A CB -1.081 17.957 19.000 0.064 0.000 0.815 983 A HN 0.524 nan 8.150 nan 0.000 0.443 984 G N -0.133 108.708 108.800 0.068 0.000 2.408 984 G HA2 -0.126 3.842 3.960 0.014 0.000 0.217 984 G HA3 -0.126 3.842 3.960 0.014 0.000 0.217 984 G C 1.540 176.480 174.900 0.066 0.000 1.150 984 G CA 0.976 46.118 45.100 0.071 0.000 0.776 984 G HN 0.423 nan 8.290 nan 0.000 0.542 985 L N -0.273 120.987 121.223 0.061 0.000 2.046 985 L HA -0.098 4.250 4.340 0.014 0.000 0.208 985 L C 2.927 179.835 176.870 0.064 0.000 1.077 985 L CA 1.337 56.211 54.840 0.057 0.000 0.747 985 L CB -0.311 41.776 42.059 0.046 0.000 0.896 985 L HN 0.227 nan 8.230 nan 0.000 0.432 986 Q N 0.183 120.026 119.800 0.072 0.000 2.119 986 Q HA -0.118 4.230 4.340 0.014 0.000 0.201 986 Q C 2.163 178.226 176.000 0.105 0.000 0.972 986 Q CA 1.827 57.686 55.803 0.093 0.000 0.847 986 Q CB -0.216 28.587 28.738 0.107 0.000 0.903 986 Q HN 0.422 nan 8.270 nan 0.000 0.433 987 A N 0.173 123.048 122.820 0.091 0.000 1.902 987 A HA -0.147 4.181 4.320 0.014 0.000 0.217 987 A C 2.134 179.767 177.584 0.082 0.000 1.181 987 A CA 1.471 53.558 52.037 0.084 0.000 0.623 987 A CB -0.735 18.310 19.000 0.075 0.000 0.818 987 A HN 0.459 nan 8.150 nan 0.000 0.443 988 I N -0.270 120.342 120.570 0.070 0.000 2.142 988 I HA -0.307 3.871 4.170 0.014 0.000 0.240 988 I C 3.016 179.175 176.117 0.070 0.000 1.078 988 I CA 1.169 62.505 61.300 0.060 0.000 1.343 988 I CB -0.380 37.651 38.000 0.051 0.000 1.046 988 I HN 0.365 nan 8.210 nan 0.000 0.405 989 A N 0.162 123.027 122.820 0.074 0.000 1.908 989 A HA -0.222 4.106 4.320 0.014 0.000 0.218 989 A C 2.375 180.018 177.584 0.099 0.000 1.181 989 A CA 2.596 54.680 52.037 0.078 0.000 0.627 989 A CB -1.125 17.919 19.000 0.074 0.000 0.818 989 A HN 0.412 nan 8.150 nan 0.000 0.445 990 T N -0.028 114.598 114.554 0.120 0.000 2.857 990 T HA 0.105 4.463 4.350 0.014 0.000 0.266 990 T C 2.185 176.961 174.700 0.126 0.000 1.048 990 T CA 1.260 63.441 62.100 0.134 0.000 1.139 990 T CB -0.335 68.619 68.868 0.144 0.000 0.874 990 T HN 0.579 nan 8.240 nan 0.000 0.455 991 A N 1.782 124.688 122.820 0.144 0.000 1.930 991 A HA -0.068 4.260 4.320 0.014 0.000 0.217 991 A C 2.303 179.995 177.584 0.181 0.000 1.175 991 A CA 1.107 53.280 52.037 0.227 0.000 0.627 991 A CB -0.267 18.836 19.000 0.172 0.000 0.815 991 A HN 0.255 nan 8.150 nan 0.000 0.443 992 K N -0.325 120.144 120.400 0.114 0.000 2.097 992 K HA -0.068 4.260 4.320 0.014 0.000 0.205 992 K C 2.180 178.839 176.600 0.098 0.000 1.050 992 K CA 1.008 57.348 56.287 0.088 0.000 0.938 992 K CB -0.262 32.276 32.500 0.064 0.000 0.718 992 K HN 0.439 nan 8.250 nan 0.000 0.442 993 R N 0.715 121.277 120.500 0.103 0.000 2.091 993 R HA -0.058 4.290 4.340 0.014 0.000 0.238 993 R C 2.207 178.570 176.300 0.106 0.000 1.136 993 R CA 1.037 57.194 56.100 0.095 0.000 0.959 993 R CB -0.336 30.022 30.300 0.098 0.000 0.856 993 R HN 0.138 nan 8.270 nan 0.000 0.437 994 L N -0.036 121.273 121.223 0.144 0.000 2.622 994 L HA 0.044 4.392 4.340 0.014 0.000 0.233 994 L C 0.985 177.987 176.870 0.220 0.000 1.156 994 L CA 0.524 55.470 54.840 0.178 0.000 0.866 994 L CB 0.007 42.183 42.059 0.195 0.000 0.980 994 L HN 0.542 nan 8.230 nan 0.000 0.448 995 G N -0.309 108.587 108.800 0.160 0.000 2.136 995 G HA2 -0.262 3.706 3.960 0.014 0.000 0.242 995 G HA3 -0.262 3.706 3.960 0.014 0.000 0.242 995 G C 0.351 175.304 174.900 0.087 0.000 0.989 995 G CA 0.084 45.252 45.100 0.115 0.000 0.682 995 G HN 0.514 nan 8.290 nan 0.000 0.522 996 A N -0.752 122.118 122.820 0.084 0.000 2.287 996 A HA 0.763 5.092 4.320 0.014 0.000 0.273 996 A C 0.595 178.155 177.584 -0.040 0.000 1.091 996 A CA 0.103 52.111 52.037 -0.049 0.000 0.817 996 A CB 1.118 19.988 19.000 -0.217 0.000 1.069 996 A HN 1.128 nan 8.150 nan 0.000 0.492 997 V N 1.572 121.442 119.914 -0.075 0.000 2.432 997 V HA 0.348 4.476 4.120 0.014 0.000 0.271 997 V C -0.254 175.796 176.094 -0.072 0.000 1.046 997 V CA -0.135 62.133 62.300 -0.053 0.000 0.945 997 V CB 1.000 32.791 31.823 -0.053 0.000 0.992 997 V HN 0.550 nan 8.190 nan 0.000 0.471 998 V N 6.817 126.703 119.914 -0.047 0.000 2.448 998 V HA 0.545 4.673 4.120 0.014 0.000 0.295 998 V C -0.083 175.978 176.094 -0.054 0.000 1.025 998 V CA -0.557 61.712 62.300 -0.051 0.000 0.859 998 V CB 1.606 33.418 31.823 -0.018 0.000 0.988 998 V HN 0.777 nan 8.190 nan 0.000 0.431 999 M N 3.562 123.108 119.600 -0.091 0.000 2.644 999 M HA 0.912 5.400 4.480 0.014 0.000 0.316 999 M C -0.164 176.036 176.300 -0.167 0.000 1.200 999 M CA -0.359 54.867 55.300 -0.123 0.000 0.944 999 M CB 2.062 34.567 32.600 -0.159 0.000 1.691 999 M HN 0.820 nan 8.290 nan 0.000 0.471 1000 A N 0.272 122.966 122.820 -0.209 0.000 2.574 1000 A HA 0.817 5.146 4.320 0.014 0.000 0.297 1000 A C -1.141 176.169 177.584 -0.456 0.000 1.062 1000 A CA -0.620 51.265 52.037 -0.253 0.000 0.686 1000 A CB 1.721 20.686 19.000 -0.058 0.000 1.285 1000 A HN 0.674 nan 8.150 nan 0.000 0.403 1001 T N 0.413 114.678 114.554 -0.481 0.000 2.912 1001 T HA 0.646 5.004 4.350 0.014 0.000 0.299 1001 T C -2.104 172.453 174.700 -0.239 0.000 1.052 1001 T CA -0.351 61.407 62.100 -0.571 0.000 0.996 1001 T CB 1.489 70.038 68.868 -0.533 0.000 1.070 1001 T HN 0.827 nan 8.240 nan 0.000 0.465 1002 D N 2.686 123.011 120.400 -0.124 0.000 2.736 1002 D HA 0.174 4.822 4.640 0.014 0.000 0.223 1002 D C 1.027 177.405 176.300 0.129 0.000 1.231 1002 D CA -0.537 53.518 54.000 0.091 0.000 0.818 1002 D CB 2.541 43.467 40.800 0.209 0.000 1.587 1002 D HN 0.390 nan 8.370 nan 0.000 0.463 1003 V N 3.339 123.314 119.914 0.103 0.000 2.392 1003 V HA -0.148 3.980 4.120 0.014 0.000 0.249 1003 V C 0.922 177.084 176.094 0.113 0.000 1.059 1003 V CA 1.790 64.144 62.300 0.090 0.000 1.051 1003 V CB -0.309 31.554 31.823 0.067 0.000 0.658 1003 V HN 0.554 nan 8.190 nan 0.000 0.455 1004 R N 0.081 120.655 120.500 0.124 0.000 2.221 1004 R HA 0.610 4.958 4.340 0.014 0.000 0.327 1004 R C 0.834 177.205 176.300 0.118 0.000 1.033 1004 R CA 0.320 56.477 56.100 0.097 0.000 0.887 1004 R CB 1.217 31.551 30.300 0.056 0.000 1.057 1004 R HN 0.091 nan 8.270 nan 0.000 0.455 1005 A N 3.531 126.394 122.820 0.072 0.000 2.172 1005 A HA -0.056 4.273 4.320 0.014 0.000 0.216 1005 A C 2.077 179.534 177.584 -0.211 0.000 1.154 1005 A CA 1.187 53.203 52.037 -0.036 0.000 0.701 1005 A CB -0.419 18.583 19.000 0.004 0.000 0.789 1005 A HN 0.945 nan 8.150 nan 0.000 0.465 1006 A N 0.008 122.761 122.820 -0.111 0.000 2.070 1006 A HA -0.071 4.257 4.320 0.014 0.000 0.220 1006 A C 2.208 179.693 177.584 -0.166 0.000 1.159 1006 A CA 2.035 54.001 52.037 -0.119 0.000 0.656 1006 A CB -1.065 17.901 19.000 -0.057 0.000 0.800 1006 A HN 0.722 nan 8.150 nan 0.000 0.453 1007 T N -2.971 111.468 114.554 -0.191 0.000 3.113 1007 T HA 0.032 4.391 4.350 0.014 0.000 0.256 1007 T C 1.723 176.196 174.700 -0.378 0.000 1.131 1007 T CA 0.865 62.864 62.100 -0.168 0.000 1.074 1007 T CB 0.010 68.885 68.868 0.012 0.000 0.944 1007 T HN 0.325 nan 8.240 nan 0.000 0.516 1008 K N 1.777 121.683 120.400 -0.824 0.000 2.044 1008 K HA -0.196 4.132 4.320 0.014 0.000 0.210 1008 K C 1.798 178.174 176.600 -0.374 0.000 1.049 1008 K CA 1.971 57.637 56.287 -1.035 0.000 0.927 1008 K CB -0.325 31.575 32.500 -1.000 0.000 0.713 1008 K HN 0.372 nan 8.250 nan 0.000 0.443 1009 E N 0.768 120.815 120.200 -0.254 0.000 2.110 1009 E HA -0.140 4.219 4.350 0.014 0.000 0.193 1009 E C 2.224 178.774 176.600 -0.084 0.000 0.988 1009 E CA 1.235 57.556 56.400 -0.132 0.000 0.804 1009 E CB -0.082 29.555 29.700 -0.104 0.000 0.745 1009 E HN 0.437 nan 8.360 nan 0.000 0.458 1010 Q N -0.047 119.703 119.800 -0.085 0.000 2.079 1010 Q HA -0.086 4.262 4.340 0.014 0.000 0.200 1010 Q C 2.262 178.257 176.000 -0.009 0.000 0.974 1010 Q CA 1.339 57.120 55.803 -0.037 0.000 0.840 1010 Q CB -0.080 28.642 28.738 -0.027 0.000 0.898 1010 Q HN 0.162 nan 8.270 nan 0.000 0.430 1011 V N 1.490 121.404 119.914 -0.000 0.000 2.295 1011 V HA -0.265 3.863 4.120 0.014 0.000 0.246 1011 V C 1.918 178.036 176.094 0.041 0.000 1.049 1011 V CA 2.005 64.341 62.300 0.059 0.000 1.024 1011 V CB -0.483 31.446 31.823 0.177 0.000 0.648 1011 V HN 0.358 nan 8.190 nan 0.000 0.447 1012 E N -0.253 119.957 120.200 0.016 0.000 2.150 1012 E HA -0.184 4.174 4.350 0.014 0.000 0.193 1012 E C 2.372 178.976 176.600 0.007 0.000 0.985 1012 E CA 1.271 57.679 56.400 0.014 0.000 0.814 1012 E CB -0.231 29.466 29.700 -0.004 0.000 0.752 1012 E HN 0.513 nan 8.360 nan 0.000 0.466 1013 S N 0.477 116.176 115.700 -0.002 0.000 2.419 1013 S HA -0.086 4.393 4.470 0.014 0.000 0.235 1013 S C 1.698 176.305 174.600 0.011 0.000 1.019 1013 S CA 0.759 58.959 58.200 0.000 0.000 0.982 1013 S CB -0.015 63.182 63.200 -0.005 0.000 0.789 1013 S HN 0.194 nan 8.310 nan 0.000 0.490 1014 L N 0.236 121.470 121.223 0.018 0.000 2.592 1014 L HA 0.305 4.653 4.340 0.014 0.000 0.227 1014 L C 1.682 178.568 176.870 0.028 0.000 1.127 1014 L CA 0.429 55.284 54.840 0.026 0.000 0.884 1014 L CB -0.280 41.799 42.059 0.033 0.000 1.065 1014 L HN 0.534 nan 8.230 nan 0.000 0.457 1015 G N 0.021 108.835 108.800 0.024 0.000 2.157 1015 G HA2 -0.209 3.759 3.960 0.014 0.000 0.239 1015 G HA3 -0.209 3.759 3.960 0.014 0.000 0.239 1015 G C 0.489 175.403 174.900 0.024 0.000 0.982 1015 G CA -0.177 44.937 45.100 0.022 0.000 0.650 1015 G HN 0.501 nan 8.290 nan 0.000 0.527 1016 G N -0.525 108.293 108.800 0.031 0.000 2.476 1016 G HA2 0.606 4.574 3.960 0.014 0.000 0.286 1016 G HA3 0.606 4.574 3.960 0.014 0.000 0.286 1016 G C -0.407 174.519 174.900 0.043 0.000 1.177 1016 G CA -0.542 44.577 45.100 0.031 0.000 0.870 1016 G HN 0.287 nan 8.290 nan 0.000 0.528 1017 K N 0.295 120.713 120.400 0.030 0.000 2.307 1017 K HA 0.351 4.679 4.320 0.014 0.000 0.263 1017 K C -0.943 175.696 176.600 0.066 0.000 0.973 1017 K CA -0.454 55.859 56.287 0.044 0.000 0.846 1017 K CB 1.715 34.218 32.500 0.005 0.000 1.100 1017 K HN 0.380 nan 8.250 nan 0.000 0.438 1018 F N 3.881 123.803 119.950 -0.047 0.000 2.438 1018 F HA 0.319 4.853 4.527 0.012 0.000 0.356 1018 F C 0.087 175.852 175.800 -0.059 0.000 1.099 1018 F CA -0.544 57.423 58.000 -0.055 0.000 1.185 1018 F CB 0.438 39.414 39.000 -0.040 0.000 1.115 1018 F HN 0.403 nan 8.300 nan 0.000 0.526 1019 I N 5.971 126.243 120.570 -0.496 0.000 2.452 1019 I HA 0.170 4.348 4.170 0.014 0.000 0.287 1019 I C 0.136 176.084 176.117 -0.281 0.000 1.079 1019 I CA 0.038 61.136 61.300 -0.337 0.000 1.387 1019 I CB 0.357 38.136 38.000 -0.367 0.000 1.404 1019 I HN 0.619 nan 8.210 nan 0.000 0.522 1020 T N 3.046 117.554 114.554 -0.076 0.000 2.901 1020 T HA 0.677 5.035 4.350 0.014 0.000 0.293 1020 T C -0.079 174.617 174.700 -0.007 0.000 1.084 1020 T CA -0.887 61.216 62.100 0.006 0.000 1.008 1020 T CB 1.762 70.697 68.868 0.111 0.000 1.170 1020 T HN 0.317 nan 8.240 nan 0.000 0.509 1046 K N 1.903 122.302 120.400 -0.000 0.000 2.103 1046 K HA -0.004 4.324 4.320 0.014 0.000 0.204 1046 K C 1.950 178.545 176.600 -0.008 0.000 1.052 1046 K CA 1.961 58.246 56.287 -0.003 0.000 0.945 1046 K CB 0.009 32.509 32.500 -0.001 0.000 0.722 1046 K HN 0.131 nan 8.250 nan 0.000 0.443 1047 Q N -0.020 119.775 119.800 -0.008 0.000 2.119 1047 Q HA 0.029 4.377 4.340 0.014 0.000 0.201 1047 Q C 1.727 177.714 176.000 -0.021 0.000 0.972 1047 Q CA 1.832 57.624 55.803 -0.020 0.000 0.847 1047 Q CB -0.432 28.297 28.738 -0.015 0.000 0.903 1047 Q HN 0.303 nan 8.270 nan 0.000 0.433 1048 A N 0.403 123.220 122.820 -0.005 0.000 1.940 1048 A HA -0.234 4.094 4.320 0.014 0.000 0.219 1048 A C 1.873 179.456 177.584 -0.002 0.000 1.176 1048 A CA 1.729 53.769 52.037 0.004 0.000 0.631 1048 A CB -0.543 18.461 19.000 0.008 0.000 0.814 1048 A HN 0.588 nan 8.150 nan 0.000 0.446 1049 E N -0.254 119.940 120.200 -0.009 0.000 2.072 1049 E HA -0.051 4.307 4.350 0.014 0.000 0.191 1049 E C 2.347 178.934 176.600 -0.021 0.000 0.985 1049 E CA 0.845 57.237 56.400 -0.012 0.000 0.801 1049 E CB -0.296 29.397 29.700 -0.011 0.000 0.750 1049 E HN 0.614 nan 8.360 nan 0.000 0.452 1050 A N 1.471 124.273 122.820 -0.031 0.000 1.902 1050 A HA -0.165 4.164 4.320 0.014 0.000 0.217 1050 A C 2.585 180.130 177.584 -0.066 0.000 1.181 1050 A CA 1.769 53.777 52.037 -0.048 0.000 0.623 1050 A CB -0.918 18.047 19.000 -0.058 0.000 0.818 1050 A HN 0.230 nan 8.150 nan 0.000 0.443 1051 V N -2.065 117.808 119.914 -0.067 0.000 2.515 1051 V HA -0.125 4.004 4.120 0.014 0.000 0.250 1051 V C 2.257 178.337 176.094 -0.024 0.000 1.058 1051 V CA 1.735 63.988 62.300 -0.079 0.000 1.064 1051 V CB -0.907 30.887 31.823 -0.048 0.000 0.675 1051 V HN 0.465 nan 8.190 nan 0.000 0.461 1052 L N 0.034 121.255 121.223 -0.004 0.000 2.056 1052 L HA -0.125 4.223 4.340 0.014 0.000 0.207 1052 L C 2.814 179.679 176.870 -0.009 0.000 1.078 1052 L CA 2.136 56.980 54.840 0.007 0.000 0.749 1052 L CB -0.390 41.671 42.059 0.003 0.000 0.901 1052 L HN 0.370 nan 8.230 nan 0.000 0.433 1053 K N -0.406 119.981 120.400 -0.022 0.000 2.113 1053 K HA -0.227 4.101 4.320 0.014 0.000 0.208 1053 K C 1.812 178.394 176.600 -0.031 0.000 1.047 1053 K CA 1.674 57.946 56.287 -0.025 0.000 0.928 1053 K CB 0.121 32.603 32.500 -0.030 0.000 0.716 1053 K HN 0.354 nan 8.250 nan 0.000 0.446 1054 E N 0.538 120.711 120.200 -0.046 0.000 2.122 1054 E HA -0.121 4.237 4.350 0.014 0.000 0.190 1054 E C 1.960 178.538 176.600 -0.037 0.000 0.977 1054 E CA 0.397 56.762 56.400 -0.058 0.000 0.820 1054 E CB -0.304 29.336 29.700 -0.101 0.000 0.770 1054 E HN 0.203 nan 8.360 nan 0.000 0.462 1055 L N 1.615 122.833 121.223 -0.009 0.000 2.079 1055 L HA -0.137 4.211 4.340 0.014 0.000 0.210 1055 L C 2.313 179.192 176.870 0.014 0.000 1.081 1055 L CA 1.290 56.151 54.840 0.034 0.000 0.752 1055 L CB -0.489 41.629 42.059 0.097 0.000 0.896 1055 L HN 0.067 nan 8.230 nan 0.000 0.433 1056 V N -4.110 115.806 119.914 0.002 0.000 3.141 1056 V HA -0.107 4.021 4.120 0.014 0.000 0.265 1056 V C 1.909 178.000 176.094 -0.005 0.000 1.126 1056 V CA 1.451 63.750 62.300 -0.002 0.000 1.141 1056 V CB -0.969 30.851 31.823 -0.006 0.000 0.743 1056 V HN 0.468 nan 8.190 nan 0.000 0.492 1057 K N 0.001 120.393 120.400 -0.013 0.000 2.355 1057 K HA 0.239 4.567 4.320 0.014 0.000 0.198 1057 K C 0.541 177.123 176.600 -0.031 0.000 1.039 1057 K CA 0.044 56.321 56.287 -0.018 0.000 1.075 1057 K CB 0.581 33.066 32.500 -0.025 0.000 0.870 1057 K HN 0.422 nan 8.250 nan 0.000 0.540 1058 T N 1.873 116.406 114.554 -0.035 0.000 2.884 1058 T HA 0.046 4.404 4.350 0.014 0.000 0.298 1058 T C 0.371 175.023 174.700 -0.081 0.000 0.998 1058 T CA -0.027 62.036 62.100 -0.062 0.000 1.124 1058 T CB 1.052 69.898 68.868 -0.035 0.000 0.931 1058 T HN 0.066 nan 8.240 nan 0.000 0.531 1059 D N 1.222 121.518 120.400 -0.174 0.000 2.338 1059 D HA 0.103 4.751 4.640 0.014 0.000 0.224 1059 D C 0.407 176.466 176.300 -0.402 0.000 0.967 1059 D CA 0.643 54.469 54.000 -0.290 0.000 0.896 1059 D CB 0.547 41.066 40.800 -0.469 0.000 1.028 1059 D HN 0.324 nan 8.370 nan 0.000 0.493 1060 I N 1.505 121.851 120.570 -0.374 0.000 2.410 1060 I HA 0.432 4.610 4.170 0.014 0.000 0.286 1060 I C -0.372 175.692 176.117 -0.089 0.000 1.009 1060 I CA -0.933 60.218 61.300 -0.247 0.000 1.111 1060 I CB 1.232 39.084 38.000 -0.248 0.000 1.262 1060 I HN -0.227 nan 8.210 nan 0.000 0.443 1061 A N 8.096 130.909 122.820 -0.012 0.000 2.288 1061 A HA 0.865 5.193 4.320 0.014 0.000 0.320 1061 A C -0.491 177.151 177.584 0.096 0.000 1.217 1061 A CA -0.455 51.643 52.037 0.100 0.000 0.840 1061 A CB 0.910 19.990 19.000 0.133 0.000 1.179 1061 A HN 0.651 nan 8.150 nan 0.000 0.504 1062 I N 2.615 123.282 120.570 0.161 0.000 2.418 1062 I HA 0.365 4.543 4.170 0.014 0.000 0.287 1062 I C 0.205 176.430 176.117 0.180 0.000 1.008 1062 I CA -0.417 60.956 61.300 0.122 0.000 1.104 1062 I CB 2.423 40.480 38.000 0.095 0.000 1.264 1062 I HN 0.727 nan 8.210 nan 0.000 0.438 1063 T N 0.512 115.119 114.554 0.089 0.000 2.824 1063 T HA 0.476 4.834 4.350 0.014 0.000 0.280 1063 T C 0.428 175.168 174.700 0.066 0.000 0.995 1063 T CA -0.368 61.777 62.100 0.076 0.000 1.009 1063 T CB 1.714 70.543 68.868 -0.065 0.000 0.955 1063 T HN 0.750 nan 8.240 nan 0.000 0.452 1064 T N -1.396 113.209 114.554 0.085 0.000 3.192 1064 T HA 0.488 4.846 4.350 0.014 0.000 0.295 1064 T C 0.705 175.441 174.700 0.059 0.000 0.947 1064 T CA 0.014 62.155 62.100 0.067 0.000 0.916 1064 T CB -0.131 68.782 68.868 0.076 0.000 1.169 1064 T HN 1.016 nan 8.240 nan 0.000 0.540 1065 A N 2.895 125.750 122.820 0.058 0.000 2.444 1065 A HA 0.613 4.941 4.320 0.014 0.000 0.273 1065 A C -0.270 177.334 177.584 0.034 0.000 1.136 1065 A CA -0.100 51.966 52.037 0.049 0.000 0.799 1065 A CB -0.138 18.894 19.000 0.053 0.000 1.081 1065 A HN 0.474 nan 8.150 nan 0.000 0.509 1066 L N 3.104 124.347 121.223 0.034 0.000 2.388 1066 L HA 0.593 4.941 4.340 0.014 0.000 0.264 1066 L C -0.373 176.512 176.870 0.026 0.000 0.998 1066 L CA -0.279 54.578 54.840 0.028 0.000 0.817 1066 L CB 1.703 43.781 42.059 0.031 0.000 1.338 1066 L HN 0.641 nan 8.230 nan 0.000 0.414 1067 I N 3.087 123.671 120.570 0.022 0.000 2.448 1067 I HA 0.268 4.446 4.170 0.014 0.000 0.281 1067 I C -2.203 173.925 176.117 0.018 0.000 1.027 1067 I CA -1.697 59.615 61.300 0.020 0.000 1.111 1067 I CB 2.095 40.106 38.000 0.018 0.000 1.236 1067 I HN 0.286 nan 8.210 nan 0.000 0.452 1068 P HA 0.016 nan 4.420 nan 0.000 0.255 1068 P C 0.720 178.028 177.300 0.014 0.000 1.173 1068 P CA 0.764 63.872 63.100 0.013 0.000 0.780 1068 P CB 0.174 31.877 31.700 0.005 0.000 0.758 1069 G N 1.942 110.752 108.800 0.016 0.000 2.291 1069 G HA2 -0.234 3.734 3.960 0.014 0.000 0.271 1069 G HA3 -0.234 3.734 3.960 0.014 0.000 0.271 1069 G C -0.206 174.702 174.900 0.014 0.000 1.099 1069 G CA -0.211 44.898 45.100 0.015 0.000 0.919 1069 G HN 0.579 nan 8.290 nan 0.000 0.496 1070 K N -1.013 119.396 120.400 0.014 0.000 2.660 1070 K HA 0.372 4.700 4.320 0.014 0.000 0.285 1070 K C -2.903 173.703 176.600 0.010 0.000 0.997 1070 K CA -1.685 54.609 56.287 0.012 0.000 0.861 1070 K CB 1.876 34.383 32.500 0.012 0.000 1.469 1070 K HN 0.009 nan 8.250 nan 0.000 0.395 1071 P HA 0.106 nan 4.420 nan 0.000 0.272 1071 P C -1.225 176.077 177.300 0.005 0.000 1.223 1071 P CA -0.344 62.758 63.100 0.004 0.000 0.784 1071 P CB 0.592 32.293 31.700 0.002 0.000 0.923 1072 A N 4.013 126.834 122.820 0.002 0.000 2.440 1072 A HA 0.364 4.692 4.320 0.014 0.000 0.251 1072 A C -1.918 175.664 177.584 -0.003 0.000 1.089 1072 A CA -1.057 50.981 52.037 0.002 0.000 0.779 1072 A CB -0.967 18.031 19.000 -0.002 0.000 1.022 1072 A HN 0.430 nan 8.150 nan 0.000 0.492 1073 P HA 0.145 nan 4.420 nan 0.000 0.268 1073 P C -0.501 176.789 177.300 -0.016 0.000 1.205 1073 P CA -0.011 63.089 63.100 -0.000 0.000 0.771 1073 P CB 0.683 32.390 31.700 0.012 0.000 0.858 1074 V N 5.038 124.938 119.914 -0.023 0.000 2.455 1074 V HA 0.051 4.179 4.120 0.014 0.000 0.273 1074 V C 1.617 177.676 176.094 -0.059 0.000 1.045 1074 V CA 0.275 62.547 62.300 -0.047 0.000 0.976 1074 V CB 0.358 32.157 31.823 -0.040 0.000 0.993 1074 V HN 0.492 nan 8.190 nan 0.000 0.475 1075 L N 5.131 126.284 121.223 -0.117 0.000 2.609 1075 L HA 0.444 4.792 4.340 0.014 0.000 0.230 1075 L C 0.324 177.009 176.870 -0.308 0.000 1.064 1075 L CA 0.483 55.227 54.840 -0.161 0.000 0.873 1075 L CB 0.440 42.393 42.059 -0.176 0.000 1.139 1075 L HN 0.436 nan 8.230 nan 0.000 0.490 1076 I N 1.009 121.383 120.570 -0.327 0.000 2.466 1076 I HA 0.162 4.340 4.170 0.014 0.000 0.279 1076 I C 0.236 176.259 176.117 -0.157 0.000 1.033 1076 I CA -0.363 60.752 61.300 -0.309 0.000 1.123 1076 I CB 1.792 39.544 38.000 -0.414 0.000 1.237 1076 I HN 0.050 nan 8.210 nan 0.000 0.460 1077 T N 0.232 114.725 114.554 -0.101 0.000 2.828 1077 T HA 0.143 4.501 4.350 0.014 0.000 0.290 1077 T C 1.044 175.716 174.700 -0.047 0.000 1.019 1077 T CA -0.401 61.663 62.100 -0.061 0.000 1.031 1077 T CB 1.864 70.707 68.868 -0.042 0.000 1.001 1077 T HN 0.691 nan 8.240 nan 0.000 0.531 1078 E N 0.125 120.312 120.200 -0.022 0.000 2.118 1078 E HA -0.236 4.122 4.350 0.014 0.000 0.195 1078 E C 1.958 178.533 176.600 -0.042 0.000 0.992 1078 E CA 1.409 57.814 56.400 0.009 0.000 0.804 1078 E CB -0.071 29.660 29.700 0.051 0.000 0.741 1078 E HN 0.880 nan 8.360 nan 0.000 0.458 1079 E N 0.085 120.253 120.200 -0.053 0.000 2.058 1079 E HA -0.243 4.115 4.350 0.014 0.000 0.194 1079 E C 2.135 178.684 176.600 -0.085 0.000 0.997 1079 E CA 1.499 57.851 56.400 -0.080 0.000 0.801 1079 E CB -0.078 29.590 29.700 -0.052 0.000 0.746 1079 E HN 0.344 nan 8.360 nan 0.000 0.450 1080 M N 0.050 119.615 119.600 -0.058 0.000 2.108 1080 M HA -0.190 4.298 4.480 0.014 0.000 0.261 1080 M C 2.332 178.603 176.300 -0.049 0.000 1.066 1080 M CA 1.202 56.475 55.300 -0.045 0.000 1.107 1080 M CB -0.099 32.479 32.600 -0.038 0.000 1.356 1080 M HN 0.073 nan 8.290 nan 0.000 0.406 1081 V N 0.270 120.155 119.914 -0.049 0.000 2.392 1081 V HA -0.262 3.866 4.120 0.014 0.000 0.249 1081 V C 2.569 178.629 176.094 -0.057 0.000 1.059 1081 V CA 2.295 64.584 62.300 -0.019 0.000 1.051 1081 V CB -1.544 30.309 31.823 0.050 0.000 0.658 1081 V HN 0.672 nan 8.190 nan 0.000 0.455 1082 T N -1.971 112.461 114.554 -0.204 0.000 3.025 1082 T HA -0.173 4.185 4.350 0.014 0.000 0.270 1082 T C 1.505 176.118 174.700 -0.145 0.000 1.126 1082 T CA 1.253 63.150 62.100 -0.338 0.000 1.105 1082 T CB -0.320 68.236 68.868 -0.521 0.000 0.884 1082 T HN 0.517 nan 8.240 nan 0.000 0.522 1083 K N -0.091 120.257 120.400 -0.088 0.000 2.374 1083 K HA 0.351 4.680 4.320 0.014 0.000 0.196 1083 K C 0.615 177.203 176.600 -0.021 0.000 1.023 1083 K CA -0.104 56.155 56.287 -0.048 0.000 1.103 1083 K CB 0.129 32.606 32.500 -0.039 0.000 0.848 1083 K HN 0.427 nan 8.250 nan 0.000 0.528 1084 M N 1.758 121.351 119.600 -0.012 0.000 2.227 1084 M HA 0.100 4.588 4.480 0.014 0.000 0.316 1084 M C 0.143 176.454 176.300 0.017 0.000 1.144 1084 M CA -0.105 55.199 55.300 0.007 0.000 1.121 1084 M CB 0.696 33.305 32.600 0.015 0.000 1.440 1084 M HN -0.058 nan 8.290 nan 0.000 0.473 1085 K N 0.654 121.070 120.400 0.026 0.000 2.144 1085 K HA 0.523 4.852 4.320 0.014 0.000 0.270 1085 K C -2.803 173.829 176.600 0.053 0.000 1.005 1085 K CA -1.863 54.445 56.287 0.036 0.000 0.932 1085 K CB -0.076 32.447 32.500 0.037 0.000 1.021 1085 K HN 0.170 nan 8.250 nan 0.000 0.462 1086 P HA -0.033 nan 4.420 nan 0.000 0.262 1086 P C 0.531 177.878 177.300 0.078 0.000 1.182 1086 P CA 1.114 64.249 63.100 0.058 0.000 0.761 1086 P CB 0.614 32.340 31.700 0.043 0.000 0.795 1087 G N 1.410 110.266 108.800 0.092 0.000 2.194 1087 G HA2 -0.214 3.755 3.960 0.014 0.000 0.236 1087 G HA3 -0.214 3.755 3.960 0.014 0.000 0.236 1087 G C 0.457 175.500 174.900 0.239 0.000 0.987 1087 G CA -0.079 45.106 45.100 0.141 0.000 0.635 1087 G HN 0.563 nan 8.290 nan 0.000 0.520 1088 S N -0.744 115.049 115.700 0.154 0.000 2.614 1088 S HA 0.648 5.126 4.470 0.014 0.000 0.265 1088 S C 0.302 174.936 174.600 0.057 0.000 1.303 1088 S CA 0.111 58.363 58.200 0.086 0.000 1.000 1088 S CB 2.132 65.349 63.200 0.028 0.000 0.935 1088 S HN 0.888 nan 8.310 nan 0.000 0.551 1089 V N 1.797 121.697 119.914 -0.023 0.000 2.789 1089 V HA 0.529 4.657 4.120 0.014 0.000 0.311 1089 V C -0.678 175.404 176.094 -0.020 0.000 1.073 1089 V CA -0.594 61.706 62.300 0.000 0.000 0.921 1089 V CB 1.690 33.526 31.823 0.023 0.000 1.009 1089 V HN 0.723 nan 8.190 nan 0.000 0.426 1090 I N 4.774 125.338 120.570 -0.010 0.000 2.436 1090 I HA 0.467 4.645 4.170 0.014 0.000 0.289 1090 I C -1.046 175.059 176.117 -0.019 0.000 1.010 1090 I CA -0.559 60.729 61.300 -0.019 0.000 1.098 1090 I CB 1.963 39.940 38.000 -0.039 0.000 1.266 1090 I HN 0.333 nan 8.210 nan 0.000 0.434 1091 I N 5.014 125.582 120.570 -0.004 0.000 2.328 1091 I HA 0.218 4.396 4.170 0.014 0.000 0.287 1091 I C -0.292 175.821 176.117 -0.007 0.000 1.012 1091 I CA -0.173 61.127 61.300 0.001 0.000 1.195 1091 I CB 1.135 39.154 38.000 0.033 0.000 1.350 1091 I HN 0.515 nan 8.210 nan 0.000 0.464 1092 D N 6.736 127.120 120.400 -0.027 0.000 2.485 1092 D HA 0.148 4.796 4.640 0.014 0.000 0.221 1092 D C 0.819 177.114 176.300 -0.009 0.000 1.112 1092 D CA -0.464 53.518 54.000 -0.030 0.000 0.911 1092 D CB 1.084 41.853 40.800 -0.050 0.000 1.019 1092 D HN 0.204 nan 8.370 nan 0.000 0.516 1093 L N 2.797 124.027 121.223 0.012 0.000 2.549 1093 L HA 0.089 4.437 4.340 0.014 0.000 0.229 1093 L C 1.844 178.726 176.870 0.020 0.000 1.158 1093 L CA 0.770 55.626 54.840 0.027 0.000 0.842 1093 L CB -0.497 41.587 42.059 0.042 0.000 0.952 1093 L HN 0.477 nan 8.230 nan 0.000 0.452 1094 A N -2.070 120.755 122.820 0.008 0.000 2.500 1094 A HA 0.149 4.477 4.320 0.014 0.000 0.267 1094 A C 2.020 179.602 177.584 -0.004 0.000 1.290 1094 A CA 0.346 52.387 52.037 0.005 0.000 0.928 1094 A CB -0.298 18.704 19.000 0.003 0.000 1.066 1094 A HN 0.087 nan 8.150 nan 0.000 0.516 1095 V N 0.396 120.305 119.914 -0.008 0.000 2.324 1095 V HA -0.284 3.845 4.120 0.014 0.000 0.250 1095 V C 2.068 178.156 176.094 -0.010 0.000 1.060 1095 V CA 2.813 65.104 62.300 -0.015 0.000 1.042 1095 V CB -0.381 31.429 31.823 -0.021 0.000 0.650 1095 V HN 0.750 nan 8.190 nan 0.000 0.450 1096 E N -0.050 120.148 120.200 -0.003 0.000 2.333 1096 E HA -0.056 4.303 4.350 0.014 0.000 0.198 1096 E C 1.638 178.237 176.600 -0.002 0.000 1.007 1096 E CA 0.979 57.377 56.400 -0.004 0.000 0.845 1096 E CB -0.205 29.493 29.700 -0.004 0.000 0.766 1096 E HN 0.674 nan 8.360 nan 0.000 0.507 1097 A N -0.338 122.482 122.820 0.000 0.000 2.545 1097 A HA 0.483 4.811 4.320 0.014 0.000 0.277 1097 A C 1.267 178.850 177.584 -0.002 0.000 1.301 1097 A CA 0.439 52.478 52.037 0.002 0.000 0.935 1097 A CB 0.227 19.232 19.000 0.009 0.000 1.093 1097 A HN 0.264 nan 8.150 nan 0.000 0.519 1098 G N -1.719 107.076 108.800 -0.007 0.000 2.278 1098 G HA2 0.304 4.272 3.960 0.014 0.000 0.210 1098 G HA3 0.304 4.272 3.960 0.014 0.000 0.210 1098 G C 1.272 176.161 174.900 -0.018 0.000 1.000 1098 G CA 0.385 45.478 45.100 -0.011 0.000 0.635 1098 G HN 2.432 nan 8.290 nan 0.000 0.495 1099 G N -0.348 108.440 108.800 -0.019 0.000 2.722 1099 G HA2 0.035 4.003 3.960 0.014 0.000 0.686 1099 G HA3 0.035 4.003 3.960 0.014 0.000 0.686 1099 G C 0.155 175.031 174.900 -0.040 0.000 1.282 1099 G CA 0.373 45.455 45.100 -0.030 0.000 0.817 1099 G HN 0.833 nan 8.290 nan 0.000 0.605 1100 N N -0.877 117.789 118.700 -0.055 0.000 2.467 1100 N HA 0.044 4.793 4.740 0.014 0.000 0.184 1100 N C 0.536 175.977 175.510 -0.116 0.000 1.106 1100 N CA 1.159 54.161 53.050 -0.081 0.000 0.892 1100 N CB 0.362 38.792 38.487 -0.096 0.000 0.969 1100 N HN 0.770 nan 8.380 nan 0.000 0.454 1101 C N 2.511 121.751 119.300 -0.099 0.000 2.364 1101 C HA 0.380 4.848 4.460 0.014 0.000 0.324 1101 C C -1.563 173.390 174.990 -0.062 0.000 1.234 1101 C CA -1.868 57.092 59.018 -0.098 0.000 1.417 1101 C CB 1.393 29.068 27.740 -0.108 0.000 2.101 1101 C HN 0.154 nan 8.230 nan 0.000 0.466 1102 P HA -0.039 nan 4.420 nan 0.000 0.239 1102 P C 0.806 178.090 177.300 -0.027 0.000 1.184 1102 P CA 0.715 63.796 63.100 -0.032 0.000 0.760 1102 P CB 0.176 31.861 31.700 -0.025 0.000 0.884 1103 L N -0.284 120.921 121.223 -0.030 0.000 2.585 1103 L HA 0.143 4.491 4.340 0.014 0.000 0.226 1103 L C 1.134 177.981 176.870 -0.038 0.000 1.113 1103 L CA 0.376 55.200 54.840 -0.028 0.000 0.876 1103 L CB -0.426 41.623 42.059 -0.016 0.000 1.072 1103 L HN -0.069 nan 8.230 nan 0.000 0.468 1104 S N -0.747 114.928 115.700 -0.042 0.000 2.584 1104 S HA 0.499 4.977 4.470 0.014 0.000 0.273 1104 S C -0.122 174.454 174.600 -0.041 0.000 1.311 1104 S CA -0.616 57.556 58.200 -0.048 0.000 1.034 1104 S CB 1.244 64.412 63.200 -0.053 0.000 0.939 1104 S HN 0.236 nan 8.310 nan 0.000 0.513 1105 E N 1.820 121.993 120.200 -0.044 0.000 2.234 1105 E HA 0.373 4.731 4.350 0.014 0.000 0.266 1105 E C -2.874 173.705 176.600 -0.035 0.000 0.877 1105 E CA -2.511 53.868 56.400 -0.035 0.000 0.758 1105 E CB 1.722 31.404 29.700 -0.031 0.000 1.170 1105 E HN 0.404 nan 8.360 nan 0.000 0.415 1106 P HA -0.061 nan 4.420 nan 0.000 0.262 1106 P C 0.689 177.984 177.300 -0.009 0.000 1.182 1106 P CA 1.081 64.172 63.100 -0.016 0.000 0.761 1106 P CB 0.390 32.084 31.700 -0.010 0.000 0.795 1107 G N 1.890 110.692 108.800 0.003 0.000 2.168 1107 G HA2 -0.283 3.685 3.960 0.014 0.000 0.263 1107 G HA3 -0.283 3.685 3.960 0.014 0.000 0.263 1107 G C 0.039 174.949 174.900 0.015 0.000 0.977 1107 G CA 0.231 45.349 45.100 0.030 0.000 0.659 1107 G HN 0.551 nan 8.290 nan 0.000 0.533 1108 K N -0.717 119.662 120.400 -0.034 0.000 2.395 1108 K HA 0.747 5.075 4.320 0.014 0.000 0.247 1108 K C -0.396 176.143 176.600 -0.100 0.000 0.973 1108 K CA -1.056 55.205 56.287 -0.044 0.000 0.828 1108 K CB 2.056 34.538 32.500 -0.030 0.000 1.272 1108 K HN 0.089 nan 8.250 nan 0.000 0.439 1109 I N 2.512 123.040 120.570 -0.070 0.000 2.354 1109 I HA 0.219 4.397 4.170 0.014 0.000 0.286 1109 I C -0.712 175.381 176.117 -0.041 0.000 1.007 1109 I CA -0.955 60.300 61.300 -0.074 0.000 1.167 1109 I CB 1.506 39.487 38.000 -0.032 0.000 1.320 1109 I HN 0.162 nan 8.210 nan 0.000 0.458 1110 V N 7.205 127.091 119.914 -0.047 0.000 2.547 1110 V HA 0.415 4.543 4.120 0.014 0.000 0.299 1110 V C 0.017 176.091 176.094 -0.034 0.000 1.040 1110 V CA -0.715 61.561 62.300 -0.040 0.000 0.913 1110 V CB 2.253 34.048 31.823 -0.046 0.000 0.992 1110 V HN 0.350 nan 8.190 nan 0.000 0.449 1111 V N 4.900 124.792 119.914 -0.036 0.000 2.378 1111 V HA 0.612 4.741 4.120 0.014 0.000 0.288 1111 V C -0.135 175.919 176.094 -0.067 0.000 1.016 1111 V CA -0.598 61.682 62.300 -0.033 0.000 0.840 1111 V CB 1.435 33.247 31.823 -0.018 0.000 0.994 1111 V HN 0.777 nan 8.190 nan 0.000 0.431 1112 K N 3.058 123.409 120.400 -0.083 0.000 2.525 1112 K HA 0.432 4.761 4.320 0.014 0.000 0.254 1112 K C -0.225 176.286 176.600 -0.147 0.000 0.934 1112 K CA -0.723 55.439 56.287 -0.208 0.000 0.802 1112 K CB 1.639 33.998 32.500 -0.235 0.000 1.295 1112 K HN 0.844 nan 8.250 nan 0.000 0.433 1113 H N 0.374 119.441 119.070 -0.005 0.000 2.820 1113 H HA -0.223 4.341 4.556 0.013 0.000 0.295 1113 H C 0.840 176.170 175.328 0.003 0.000 1.187 1113 H CA 1.204 57.251 56.048 -0.003 0.000 1.144 1113 H CB -1.578 28.181 29.762 -0.006 0.000 1.354 1113 H HN 1.131 nan 8.280 nan 0.000 0.395 1114 G N -1.299 107.541 108.800 0.065 0.000 2.184 1114 G HA2 -0.311 3.657 3.960 0.014 0.000 0.264 1114 G HA3 -0.311 3.657 3.960 0.014 0.000 0.264 1114 G C 0.283 175.216 174.900 0.055 0.000 0.975 1114 G CA 0.374 45.506 45.100 0.053 0.000 0.642 1114 G HN 0.536 nan 8.290 nan 0.000 0.536 1115 V N 0.687 120.634 119.914 0.055 0.000 2.483 1115 V HA 0.465 4.593 4.120 0.014 0.000 0.295 1115 V C 0.534 176.644 176.094 0.027 0.000 1.035 1115 V CA -0.925 61.404 62.300 0.048 0.000 0.896 1115 V CB 1.823 33.677 31.823 0.052 0.000 0.986 1115 V HN 0.257 nan 8.190 nan 0.000 0.447 1116 K N 4.651 125.070 120.400 0.033 0.000 2.276 1116 K HA 0.540 4.869 4.320 0.014 0.000 0.285 1116 K C -0.833 175.767 176.600 -0.000 0.000 1.062 1116 K CA -0.115 56.184 56.287 0.019 0.000 0.918 1116 K CB 0.891 33.417 32.500 0.042 0.000 1.055 1116 K HN 0.539 nan 8.250 nan 0.000 0.477 1117 I N 4.548 125.105 120.570 -0.022 0.000 2.428 1117 I HA 0.091 4.269 4.170 0.014 0.000 0.279 1117 I C -0.119 175.955 176.117 -0.071 0.000 1.040 1117 I CA -1.028 60.248 61.300 -0.041 0.000 1.171 1117 I CB 1.307 39.282 38.000 -0.041 0.000 1.312 1117 I HN 0.284 nan 8.210 nan 0.000 0.470 1118 V N 3.222 123.081 119.914 -0.091 0.000 2.465 1118 V HA 0.836 4.964 4.120 0.014 0.000 0.279 1118 V C 0.455 176.425 176.094 -0.207 0.000 1.045 1118 V CA 0.034 62.218 62.300 -0.193 0.000 0.938 1118 V CB 1.290 32.980 31.823 -0.223 0.000 0.986 1118 V HN 0.821 nan 8.190 nan 0.000 0.467 1119 G N 3.963 112.607 108.800 -0.260 0.000 4.740 1119 G HA2 0.351 4.319 3.960 0.014 0.000 0.290 1119 G HA3 0.351 4.319 3.960 0.014 0.000 0.290 1119 G C -0.320 174.503 174.900 -0.129 0.000 1.333 1119 G CA -0.560 44.448 45.100 -0.153 0.000 0.923 1119 G HN 0.978 nan 8.290 nan 0.000 0.559 1120 H N 0.510 119.577 119.070 -0.005 0.000 2.871 1120 H HA 0.193 4.756 4.556 0.013 0.000 0.355 1120 H C 1.966 177.286 175.328 -0.012 0.000 1.092 1120 H CA 0.865 56.907 56.048 -0.010 0.000 1.420 1120 H CB 1.504 31.258 29.762 -0.013 0.000 1.400 1120 H HN 0.393 nan 8.280 nan 0.000 0.604 1121 T N -0.673 113.950 114.554 0.116 0.000 2.849 1121 T HA -0.136 4.222 4.350 0.014 0.000 0.230 1121 T C 1.285 176.003 174.700 0.030 0.000 1.071 1121 T CA 0.204 62.332 62.100 0.047 0.000 1.559 1121 T CB -0.254 68.626 68.868 0.020 0.000 1.141 1121 T HN 0.439 nan 8.240 nan 0.000 0.417 1122 N N 2.017 120.720 118.700 0.005 0.000 2.950 1122 N HA 0.075 4.823 4.740 0.014 0.000 0.313 1122 N C 1.134 176.640 175.510 -0.006 0.000 1.213 1122 N CA -0.123 52.918 53.050 -0.016 0.000 1.184 1122 N CB -0.597 37.866 38.487 -0.039 0.000 1.454 1122 N HN 0.327 nan 8.380 nan 0.000 0.532 1123 V N 2.647 122.572 119.914 0.018 0.000 2.324 1123 V HA -0.187 3.941 4.120 0.014 0.000 0.250 1123 V C -0.502 175.602 176.094 0.017 0.000 1.060 1123 V CA 1.751 64.065 62.300 0.024 0.000 1.042 1123 V CB -1.204 30.649 31.823 0.050 0.000 0.650 1123 V HN 0.507 nan 8.190 nan 0.000 0.450 1124 P HA -0.123 nan 4.420 nan 0.000 0.220 1124 P C 1.879 179.179 177.300 0.000 0.000 1.148 1124 P CA 1.649 64.765 63.100 0.027 0.000 0.803 1124 P CB -0.037 31.689 31.700 0.043 0.000 0.782 1125 S N -0.518 115.168 115.700 -0.024 0.000 2.453 1125 S HA -0.029 4.449 4.470 0.014 0.000 0.231 1125 S C 1.872 176.446 174.600 -0.044 0.000 1.005 1125 S CA 0.460 58.633 58.200 -0.044 0.000 0.949 1125 S CB -0.617 62.549 63.200 -0.058 0.000 0.774 1125 S HN 0.071 nan 8.310 nan 0.000 0.510 1126 R N 0.092 120.567 120.500 -0.042 0.000 2.280 1126 R HA 0.076 4.424 4.340 0.014 0.000 0.207 1126 R C 0.334 176.619 176.300 -0.025 0.000 1.043 1126 R CA 0.721 56.784 56.100 -0.062 0.000 1.006 1126 R CB 0.158 30.402 30.300 -0.093 0.000 0.885 1126 R HN 0.286 nan 8.270 nan 0.000 0.467 1127 V N -0.442 119.473 119.914 0.002 0.000 2.838 1127 V HA 0.239 4.367 4.120 0.014 0.000 0.363 1127 V C 1.157 177.251 176.094 -0.000 0.000 1.324 1127 V CA 0.022 62.335 62.300 0.022 0.000 1.220 1127 V CB 0.615 32.475 31.823 0.061 0.000 1.328 1127 V HN 0.167 nan 8.190 nan 0.000 0.595 1128 A N 1.339 124.148 122.820 -0.017 0.000 1.958 1128 A HA -0.194 4.135 4.320 0.014 0.000 0.221 1128 A C 2.333 179.905 177.584 -0.019 0.000 1.178 1128 A CA 2.493 54.514 52.037 -0.026 0.000 0.642 1128 A CB -0.284 18.693 19.000 -0.039 0.000 0.816 1128 A HN 0.847 nan 8.150 nan 0.000 0.453 1129 A N -1.257 121.554 122.820 -0.016 0.000 2.015 1129 A HA -0.076 4.252 4.320 0.014 0.000 0.219 1129 A C 1.727 179.304 177.584 -0.010 0.000 1.163 1129 A CA 1.812 53.842 52.037 -0.013 0.000 0.646 1129 A CB -0.282 18.710 19.000 -0.014 0.000 0.806 1129 A HN 0.442 nan 8.150 nan 0.000 0.448 1130 D N -1.122 119.269 120.400 -0.015 0.000 2.338 1130 D HA 0.252 4.900 4.640 0.014 0.000 0.208 1130 D C 2.118 178.419 176.300 0.001 0.000 0.997 1130 D CA 0.974 54.962 54.000 -0.020 0.000 0.880 1130 D CB 0.017 40.785 40.800 -0.054 0.000 0.980 1130 D HN 0.326 nan 8.370 nan 0.000 0.509 1131 A N 0.217 123.044 122.820 0.012 0.000 1.929 1131 A HA -0.080 4.248 4.320 0.014 0.000 0.216 1131 A C 2.322 179.949 177.584 0.072 0.000 1.176 1131 A CA 1.410 53.473 52.037 0.043 0.000 0.628 1131 A CB -0.359 18.661 19.000 0.033 0.000 0.816 1131 A HN 0.108 nan 8.150 nan 0.000 0.444 1132 S N 0.415 116.135 115.700 0.033 0.000 2.356 1132 S HA -0.075 4.403 4.470 0.014 0.000 0.223 1132 S C -0.288 174.365 174.600 0.088 0.000 1.032 1132 S CA 1.734 59.959 58.200 0.041 0.000 1.005 1132 S CB -1.119 62.083 63.200 0.002 0.000 0.867 1132 S HN 0.441 nan 8.310 nan 0.000 0.449 1133 P HA -0.048 nan 4.420 nan 0.000 0.215 1133 P C 1.350 178.689 177.300 0.064 0.000 1.153 1133 P CA 0.919 64.054 63.100 0.059 0.000 0.853 1133 P CB -0.096 31.623 31.700 0.032 0.000 0.788 1134 L N -2.764 118.494 121.223 0.059 0.000 2.093 1134 L HA -0.150 4.198 4.340 0.014 0.000 0.208 1134 L C 2.395 179.288 176.870 0.039 0.000 1.085 1134 L CA 1.302 56.164 54.840 0.037 0.000 0.755 1134 L CB -0.785 41.290 42.059 0.027 0.000 0.904 1134 L HN -0.066 nan 8.230 nan 0.000 0.435 1135 F N 0.612 120.528 119.950 -0.057 0.000 2.134 1135 F HA -0.219 4.315 4.527 0.012 0.000 0.299 1135 F C 2.482 178.195 175.800 -0.145 0.000 1.097 1135 F CA 1.291 59.236 58.000 -0.091 0.000 1.264 1135 F CB -0.061 38.899 39.000 -0.067 0.000 1.001 1135 F HN 0.001 nan 8.300 nan 0.000 0.479 1136 A N -0.119 122.803 122.820 0.171 0.000 1.933 1136 A HA -0.199 4.129 4.320 0.014 0.000 0.218 1136 A C 2.198 179.759 177.584 -0.038 0.000 1.175 1136 A CA 1.715 53.800 52.037 0.080 0.000 0.628 1136 A CB -0.603 18.500 19.000 0.172 0.000 0.814 1136 A HN 0.402 nan 8.150 nan 0.000 0.444 1137 K N -0.417 119.973 120.400 -0.017 0.000 2.155 1137 K HA -0.081 4.247 4.320 0.014 0.000 0.203 1137 K C 1.616 178.154 176.600 -0.104 0.000 1.052 1137 K CA 1.034 57.304 56.287 -0.028 0.000 0.948 1137 K CB -0.141 32.354 32.500 -0.008 0.000 0.728 1137 K HN 0.400 nan 8.250 nan 0.000 0.448 1138 N N 1.154 119.737 118.700 -0.196 0.000 2.120 1138 N HA -0.133 4.615 4.740 0.014 0.000 0.188 1138 N C 1.858 177.187 175.510 -0.302 0.000 1.024 1138 N CA 1.066 53.956 53.050 -0.266 0.000 0.852 1138 N CB -0.213 38.020 38.487 -0.422 0.000 1.003 1138 N HN 0.125 nan 8.380 nan 0.000 0.424 1139 L N 0.362 121.285 121.223 -0.500 0.000 2.017 1139 L HA -0.136 4.212 4.340 0.014 0.000 0.208 1139 L C 2.348 179.008 176.870 -0.352 0.000 1.073 1139 L CA 0.625 55.038 54.840 -0.710 0.000 0.745 1139 L CB -0.469 40.583 42.059 -1.679 0.000 0.894 1139 L HN 0.120 nan 8.230 nan 0.000 0.432 1140 L N 0.160 121.271 121.223 -0.187 0.000 2.012 1140 L HA -0.241 4.107 4.340 0.014 0.000 0.210 1140 L C 2.013 178.949 176.870 0.110 0.000 1.073 1140 L CA 2.002 56.960 54.840 0.196 0.000 0.748 1140 L CB -0.673 41.509 42.059 0.205 0.000 0.891 1140 L HN 0.262 nan 8.230 nan 0.000 0.431 1141 N N -1.534 117.190 118.700 0.040 0.000 2.223 1141 N HA -0.223 4.525 4.740 0.014 0.000 0.185 1141 N C 1.778 177.336 175.510 0.080 0.000 1.016 1141 N CA 1.335 54.409 53.050 0.039 0.000 0.863 1141 N CB -0.272 38.220 38.487 0.008 0.000 0.983 1141 N HN 0.449 nan 8.380 nan 0.000 0.429 1142 F N 1.257 121.165 119.950 -0.069 0.000 2.234 1142 F HA 0.056 4.593 4.527 0.016 0.000 0.296 1142 F C 1.973 177.809 175.800 0.061 0.000 1.089 1142 F CA 0.526 58.498 58.000 -0.046 0.000 1.343 1142 F CB 0.072 38.990 39.000 -0.135 0.000 1.040 1142 F HN -0.059 nan 8.300 nan 0.000 0.498 1143 L N -0.514 120.712 121.223 0.005 0.000 2.102 1143 L HA -0.092 4.256 4.340 0.014 0.000 0.202 1143 L C 2.250 179.148 176.870 0.047 0.000 1.076 1143 L CA 1.578 56.424 54.840 0.010 0.000 0.761 1143 L CB -0.818 41.398 42.059 0.263 0.000 0.921 1143 L HN 0.071 nan 8.230 nan 0.000 0.444 1144 T N 1.020 115.608 114.554 0.057 0.000 2.649 1144 T HA -0.177 4.181 4.350 0.014 0.000 0.268 1144 T C -0.613 174.053 174.700 -0.057 0.000 1.036 1144 T CA 2.214 64.335 62.100 0.035 0.000 1.157 1144 T CB -1.398 67.490 68.868 0.033 0.000 0.861 1144 T HN 0.346 nan 8.240 nan 0.000 0.445 1145 P HA -0.080 nan 4.420 nan 0.000 0.223 1145 P C 0.842 177.862 177.300 -0.466 0.000 1.144 1145 P CA 1.016 63.904 63.100 -0.353 0.000 0.783 1145 P CB -0.083 31.321 31.700 -0.493 0.000 0.771 1146 H N -2.226 116.793 119.070 -0.086 0.000 2.520 1146 H HA 0.302 4.866 4.556 0.014 0.000 0.284 1146 H C 0.466 175.783 175.328 -0.018 0.000 1.037 1146 H CA -0.051 55.952 56.048 -0.074 0.000 1.168 1146 H CB 0.278 29.954 29.762 -0.143 0.000 1.497 1146 H HN 0.050 nan 8.280 nan 0.000 0.547 1147 V N 0.699 120.653 119.914 0.068 0.000 2.960 1147 V HA 0.468 4.597 4.120 0.014 0.000 0.315 1147 V C -1.123 174.986 176.094 0.024 0.000 1.087 1147 V CA -0.603 61.742 62.300 0.074 0.000 0.982 1147 V CB 3.113 35.037 31.823 0.168 0.000 1.039 1147 V HN 0.227 nan 8.190 nan 0.000 0.437 1148 D N 2.509 122.911 120.400 0.004 0.000 2.745 1148 D HA 0.203 4.851 4.640 0.014 0.000 0.221 1148 D C 0.020 176.296 176.300 -0.039 0.000 1.237 1148 D CA -0.366 53.627 54.000 -0.012 0.000 0.781 1148 D CB 2.092 42.883 40.800 -0.013 0.000 1.575 1148 D HN 0.661 nan 8.370 nan 0.000 0.482 1149 K N 2.256 122.633 120.400 -0.039 0.000 2.439 1149 K HA -0.089 4.239 4.320 0.014 0.000 0.197 1149 K C 0.718 177.292 176.600 -0.043 0.000 1.041 1149 K CA 0.587 56.841 56.287 -0.054 0.000 0.970 1149 K CB 0.073 32.547 32.500 -0.045 0.000 0.773 1149 K HN 0.347 nan 8.250 nan 0.000 0.479 1150 D N 1.229 121.610 120.400 -0.032 0.000 4.742 1150 D HA -0.257 4.392 4.640 0.014 0.000 0.284 1150 D C 1.047 177.330 176.300 -0.029 0.000 1.470 1150 D CA 2.986 56.971 54.000 -0.026 0.000 0.932 1150 D CB -0.203 40.584 40.800 -0.021 0.000 0.901 1150 D HN 0.485 nan 8.370 nan 0.000 0.689 1151 T N -1.979 112.553 114.554 -0.038 0.000 3.087 1151 T HA 0.082 4.440 4.350 0.014 0.000 0.283 1151 T C 0.249 174.909 174.700 -0.066 0.000 0.956 1151 T CA 0.745 62.820 62.100 -0.043 0.000 0.894 1151 T CB 0.015 68.863 68.868 -0.033 0.000 1.160 1151 T HN 0.289 nan 8.240 nan 0.000 0.532 1152 K N 1.886 122.238 120.400 -0.080 0.000 3.257 1152 K HA -0.132 4.196 4.320 0.014 0.000 0.270 1152 K C -1.115 175.381 176.600 -0.173 0.000 0.984 1152 K CA 0.982 57.189 56.287 -0.134 0.000 0.739 1152 K CB -1.649 30.768 32.500 -0.138 0.000 1.351 1152 K HN 0.436 nan 8.250 nan 0.000 0.463 1153 T N 0.811 115.290 114.554 -0.124 0.000 2.906 1153 T HA 0.462 4.821 4.350 0.014 0.000 0.295 1153 T C -1.133 173.534 174.700 -0.055 0.000 1.061 1153 T CA -0.843 61.193 62.100 -0.106 0.000 1.000 1153 T CB 1.484 70.319 68.868 -0.055 0.000 1.103 1153 T HN 0.265 nan 8.240 nan 0.000 0.486 1154 L N 3.243 124.457 121.223 -0.015 0.000 2.257 1154 L HA 0.667 5.015 4.340 0.014 0.000 0.290 1154 L C -1.117 175.790 176.870 0.062 0.000 1.044 1154 L CA -0.206 54.678 54.840 0.073 0.000 0.810 1154 L CB 0.552 42.714 42.059 0.171 0.000 1.193 1154 L HN 0.454 nan 8.230 nan 0.000 0.425 1155 V N 6.750 126.702 119.914 0.064 0.000 2.340 1155 V HA 0.312 4.440 4.120 0.014 0.000 0.277 1155 V C -0.050 176.063 176.094 0.031 0.000 1.017 1155 V CA -0.665 61.664 62.300 0.047 0.000 0.820 1155 V CB 1.248 33.097 31.823 0.043 0.000 1.028 1155 V HN 0.677 nan 8.190 nan 0.000 0.436 1156 M N 4.110 123.666 119.600 -0.074 0.000 2.364 1156 M HA 0.228 4.717 4.480 0.014 0.000 0.342 1156 M C 0.411 176.598 176.300 -0.189 0.000 1.601 1156 M CA 0.277 55.348 55.300 -0.382 0.000 1.156 1156 M CB -0.381 31.992 32.600 -0.377 0.000 1.912 1156 M HN 0.441 nan 8.290 nan 0.000 0.460 1157 K N 3.331 123.688 120.400 -0.072 0.000 2.402 1157 K HA 0.032 4.360 4.320 0.014 0.000 0.285 1157 K C 0.782 177.393 176.600 0.018 0.000 1.054 1157 K CA -0.362 55.958 56.287 0.055 0.000 1.001 1157 K CB 0.611 33.210 32.500 0.164 0.000 0.946 1157 K HN 0.411 nan 8.250 nan 0.000 0.473 1158 L N 2.838 124.081 121.223 0.033 0.000 2.265 1158 L HA -0.163 4.186 4.340 0.014 0.000 0.215 1158 L C 1.789 178.690 176.870 0.053 0.000 1.117 1158 L CA 1.589 56.458 54.840 0.047 0.000 0.782 1158 L CB -0.439 41.647 42.059 0.046 0.000 0.914 1158 L HN 0.558 nan 8.230 nan 0.000 0.441 1159 E N -0.834 119.398 120.200 0.052 0.000 2.427 1159 E HA -0.046 4.312 4.350 0.014 0.000 0.196 1159 E C 0.496 177.133 176.600 0.061 0.000 1.028 1159 E CA 0.135 56.565 56.400 0.049 0.000 0.864 1159 E CB -0.381 29.343 29.700 0.040 0.000 0.813 1159 E HN 0.372 nan 8.360 nan 0.000 0.514 1160 D N 2.146 122.597 120.400 0.085 0.000 2.343 1160 D HA -0.044 4.604 4.640 0.014 0.000 0.255 1160 D C 1.242 177.604 176.300 0.104 0.000 1.187 1160 D CA -0.002 54.063 54.000 0.108 0.000 0.875 1160 D CB 0.945 41.863 40.800 0.197 0.000 1.136 1160 D HN 0.014 nan 8.370 nan 0.000 0.469 1161 E N 1.854 122.108 120.200 0.091 0.000 2.338 1161 E HA -0.176 4.182 4.350 0.014 0.000 0.197 1161 E C 1.271 177.945 176.600 0.123 0.000 1.007 1161 E CA 0.968 57.422 56.400 0.089 0.000 0.849 1161 E CB -0.563 29.175 29.700 0.063 0.000 0.774 1161 E HN 0.541 nan 8.360 nan 0.000 0.506 1162 T N -1.461 113.193 114.554 0.167 0.000 3.023 1162 T HA 0.039 4.397 4.350 0.014 0.000 0.266 1162 T C 2.040 176.953 174.700 0.356 0.000 1.093 1162 T CA 0.717 62.966 62.100 0.249 0.000 1.129 1162 T CB -0.164 68.920 68.868 0.361 0.000 0.899 1162 T HN 0.037 nan 8.240 nan 0.000 0.491 1163 V N 2.577 122.644 119.914 0.255 0.000 2.331 1163 V HA -0.085 4.043 4.120 0.014 0.000 0.242 1163 V C 3.178 179.437 176.094 0.275 0.000 1.034 1163 V CA 1.798 64.233 62.300 0.225 0.000 1.027 1163 V CB -0.754 31.076 31.823 0.010 0.000 0.667 1163 V HN 0.714 nan 8.190 nan 0.000 0.457 1164 S N 1.185 116.994 115.700 0.180 0.000 2.383 1164 S HA -0.087 4.391 4.470 0.014 0.000 0.227 1164 S C 2.070 176.775 174.600 0.175 0.000 1.026 1164 S CA 1.360 59.651 58.200 0.152 0.000 0.981 1164 S CB -0.926 62.325 63.200 0.086 0.000 0.818 1164 S HN 0.546 nan 8.310 nan 0.000 0.472 1165 G N 1.624 110.526 108.800 0.169 0.000 2.443 1165 G HA2 -0.081 3.887 3.960 0.014 0.000 0.219 1165 G HA3 -0.081 3.887 3.960 0.014 0.000 0.219 1165 G C 1.580 176.605 174.900 0.209 0.000 1.131 1165 G CA 1.399 46.606 45.100 0.179 0.000 0.775 1165 G HN 0.729 nan 8.290 nan 0.000 0.547 1166 T N -3.710 110.960 114.554 0.193 0.000 2.990 1166 T HA 0.127 4.485 4.350 0.014 0.000 0.250 1166 T C 1.184 175.999 174.700 0.191 0.000 1.041 1166 T CA -0.017 62.153 62.100 0.117 0.000 1.010 1166 T CB -0.406 68.453 68.868 -0.015 0.000 1.003 1166 T HN 0.099 nan 8.240 nan 0.000 0.499 1167 C N 3.785 123.266 119.300 0.302 0.000 2.627 1167 C HA 0.525 4.993 4.460 0.014 0.000 0.404 1167 C C 2.004 177.030 174.990 0.060 0.000 1.340 1167 C CA -0.145 58.917 59.018 0.072 0.000 1.758 1167 C CB -0.678 27.099 27.740 0.062 0.000 2.501 1167 C HN 0.527 nan 8.230 nan 0.000 0.588 1168 V N 3.308 123.196 119.914 -0.042 0.000 3.523 1168 V HA 0.364 4.492 4.120 0.014 0.000 0.255 1168 V C 0.698 176.788 176.094 -0.007 0.000 1.226 1168 V CA 0.843 63.148 62.300 0.009 0.000 1.092 1168 V CB -0.342 31.448 31.823 -0.056 0.000 0.817 1168 V HN 0.865 nan 8.190 nan 0.000 0.458 1169 T N 1.293 115.803 114.554 -0.073 0.000 3.012 1169 T HA 0.713 5.071 4.350 0.014 0.000 0.330 1169 T C -1.368 173.272 174.700 -0.100 0.000 1.321 1169 T CA -0.503 61.560 62.100 -0.061 0.000 1.067 1169 T CB 1.933 70.775 68.868 -0.043 0.000 1.235 1169 T HN 0.946 nan 8.240 nan 0.000 0.479 1170 R N 2.454 122.917 120.500 -0.061 0.000 2.634 1170 R HA 0.608 4.956 4.340 0.014 0.000 0.263 1170 R C -0.899 175.386 176.300 -0.024 0.000 1.060 1170 R CA -0.616 55.450 56.100 -0.057 0.000 0.898 1170 R CB 0.535 30.799 30.300 -0.060 0.000 1.253 1170 R HN 0.539 nan 8.270 nan 0.000 0.461 1171 D N 1.139 121.531 120.400 -0.015 0.000 2.882 1171 D HA -0.170 4.479 4.640 0.014 0.000 0.229 1171 D C 0.836 177.134 176.300 -0.004 0.000 1.167 1171 D CA 2.592 56.590 54.000 -0.004 0.000 0.759 1171 D CB -1.043 39.757 40.800 0.000 0.000 1.088 1171 D HN 1.417 nan 8.370 nan 0.000 0.425 1172 G N -2.104 106.692 108.800 -0.007 0.000 2.147 1172 G HA2 0.144 4.113 3.960 0.014 0.000 0.244 1172 G HA3 0.144 4.113 3.960 0.014 0.000 0.244 1172 G C 0.247 175.145 174.900 -0.004 0.000 1.005 1172 G CA 0.693 45.791 45.100 -0.004 0.000 0.713 1172 G HN 1.513 nan 8.290 nan 0.000 0.515 1173 A N -0.344 122.472 122.820 -0.006 0.000 2.427 1173 A HA 0.773 5.101 4.320 0.014 0.000 0.298 1173 A C 0.034 177.616 177.584 -0.003 0.000 1.036 1173 A CA -0.667 51.368 52.037 -0.003 0.000 0.701 1173 A CB 1.168 20.168 19.000 -0.001 0.000 1.250 1173 A HN 0.710 nan 8.150 nan 0.000 0.412 1174 I N 2.831 123.403 120.570 0.003 0.000 2.618 1174 I HA 0.116 4.294 4.170 0.014 0.000 0.284 1174 I C 1.215 177.343 176.117 0.018 0.000 1.146 1174 I CA 0.210 61.517 61.300 0.011 0.000 1.425 1174 I CB 1.280 39.290 38.000 0.017 0.000 1.383 1174 I HN 0.596 nan 8.210 nan 0.000 0.562 1175 V N 2.092 122.024 119.914 0.030 0.000 3.556 1175 V HA 0.248 4.376 4.120 0.014 0.000 0.287 1175 V C 0.444 176.565 176.094 0.045 0.000 1.422 1175 V CA 0.011 62.328 62.300 0.028 0.000 1.038 1175 V CB -0.267 31.567 31.823 0.018 0.000 0.850 1175 V HN 0.723 nan 8.190 nan 0.000 0.437 1176 H N 3.271 122.335 119.070 -0.009 0.000 2.466 1176 H HA 0.565 5.124 4.556 0.005 0.000 0.338 1176 H C -2.726 172.600 175.328 -0.003 0.000 1.091 1176 H CA -1.816 54.230 56.048 -0.004 0.000 1.207 1176 H CB 2.618 32.377 29.762 -0.006 0.000 1.466 1176 H HN 0.236 nan 8.280 nan 0.000 0.493 1177 P HA 0.410 nan 4.420 nan 0.000 0.276 1177 P C -1.083 176.341 177.300 0.207 0.000 1.253 1177 P CA -0.191 62.966 63.100 0.095 0.000 0.766 1177 P CB 0.939 32.634 31.700 -0.007 0.000 0.845 1178 A N 0.000 122.895 122.820 0.124 0.000 2.254 1178 A HA 0.000 4.328 4.320 0.014 0.000 0.244 1178 A CA 0.000 52.088 52.037 0.085 0.000 0.836 1178 A CB 0.000 19.046 19.000 0.076 0.000 0.831 1178 A HN 0.000 nan 8.150 nan 0.000 0.486