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 1x86_1_A DATA FIRST_RESID 766 DATA SEQUENCE PPNWQQLVSR EVLLGLKPCE IKRQEVINEL FYTERAHVRT LKVLDQVFYQ DATA SEQUENCE RVSREGILSP SELRKIFSNL EDILQLHIGL NEQMKAVRKR NETSVIDQIG DATA SEQUENCE EDLLTWFSGP GEEKLKHAAA TFCSNQPFAL EMIKSRQKKD SRFQTFVQDA DATA SEQUENCE ESNPLCRRLQ LKDIIPTQMQ RLTKYPLLLD NIAKYTEWPT EREKVKKAAD DATA SEQUENCE HCRQILNFVN QAVKEAENKQ RLEDYQRRLD TSSLKLSEYP NVEELRNLDL DATA SEQUENCE TKRKMIHEGP LVWKVNRDKT IDLYTLLLED ILVLLQKQDD RLVLRCHSXX DATA SEQUENCE XXXXXXXXXT FSPVIKLSTV LVRQVATDNK ALFVISMSDN GAQIYELVAQ DATA SEQUENCE TVSEKTVWQD LICRMAASVK EQS 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 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P C 0.000 177.245 177.300 -0.092 0.000 1.155 766 P CA 0.000 63.059 63.100 -0.068 0.000 0.800 766 P CB 0.000 31.670 31.700 -0.050 0.000 0.726 767 P HA 0.366 nan 4.420 nan 0.000 0.297 767 P C -0.299 176.979 177.300 -0.036 0.000 1.319 767 P CA -0.310 62.754 63.100 -0.062 0.000 0.810 767 P CB 0.740 32.406 31.700 -0.057 0.000 0.947 768 N N 1.406 120.122 118.700 0.026 0.000 2.178 768 N HA -0.199 4.541 4.740 -0.000 0.000 0.220 768 N C 0.710 176.312 175.510 0.153 0.000 1.292 768 N CA -0.148 52.967 53.050 0.109 0.000 0.871 768 N CB 0.040 38.586 38.487 0.099 0.000 1.085 768 N HN 0.662 nan 8.380 nan 0.000 0.438 769 W N 0.220 121.541 121.300 0.035 0.000 2.409 769 W HA -0.019 4.641 4.660 -0.000 0.000 0.299 769 W C 1.865 178.393 176.519 0.015 0.000 1.203 769 W CA 1.305 58.669 57.345 0.033 0.000 1.298 769 W CB -0.321 29.155 29.460 0.028 0.000 1.127 769 W HN 0.641 nan 8.180 nan 0.000 0.528 770 Q N -0.034 119.772 119.800 0.009 0.000 2.368 770 Q HA -0.256 4.084 4.340 -0.000 0.000 0.210 770 Q C 1.937 177.792 176.000 -0.241 0.000 0.982 770 Q CA 1.214 56.882 55.803 -0.225 0.000 0.884 770 Q CB -0.283 28.448 28.738 -0.011 0.000 0.933 770 Q HN 0.214 nan 8.270 nan 0.000 0.460 771 Q N 0.156 119.859 119.800 -0.161 0.000 2.230 771 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 771 Q C 1.707 177.604 176.000 -0.172 0.000 0.963 771 Q CA 1.045 56.771 55.803 -0.128 0.000 0.866 771 Q CB 0.151 28.846 28.738 -0.072 0.000 0.931 771 Q HN 0.453 nan 8.270 nan 0.000 0.452 772 L N -1.108 119.962 121.223 -0.255 0.000 2.249 772 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 772 L C 0.607 177.299 176.870 -0.297 0.000 1.090 772 L CA -0.040 54.658 54.840 -0.237 0.000 0.802 772 L CB -0.185 41.748 42.059 -0.209 0.000 0.947 772 L HN -0.191 nan 8.230 nan 0.000 0.453 773 V N 0.437 120.062 119.914 -0.483 0.000 2.583 773 V HA 0.147 4.267 4.120 -0.000 0.000 0.287 773 V C 0.915 176.861 176.094 -0.246 0.000 1.051 773 V CA -0.819 61.227 62.300 -0.423 0.000 1.010 773 V CB 1.200 32.611 31.823 -0.687 0.000 0.988 773 V HN 0.349 nan 8.190 nan 0.000 0.478 774 S N 3.654 119.262 115.700 -0.154 0.000 2.571 774 S HA -0.086 4.384 4.470 -0.000 0.000 0.298 774 S C 1.326 175.872 174.600 -0.090 0.000 1.280 774 S CA 0.286 58.428 58.200 -0.096 0.000 1.052 774 S CB 0.359 63.524 63.200 -0.059 0.000 0.799 774 S HN 0.840 nan 8.310 nan 0.000 0.501 775 R N 2.849 123.310 120.500 -0.065 0.000 2.119 775 R HA -0.155 4.185 4.340 -0.000 0.000 0.246 775 R C 1.744 178.025 176.300 -0.031 0.000 1.146 775 R CA 2.678 58.750 56.100 -0.047 0.000 0.962 775 R CB -0.927 29.353 30.300 -0.033 0.000 0.863 775 R HN 0.865 nan 8.270 nan 0.000 0.442 776 E N -0.648 119.537 120.200 -0.025 0.000 2.076 776 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 776 E C 2.014 178.614 176.600 0.001 0.000 0.979 776 E CA 1.284 57.679 56.400 -0.009 0.000 0.807 776 E CB -0.245 29.451 29.700 -0.006 0.000 0.761 776 E HN 0.110 nan 8.360 nan 0.000 0.454 777 V N 1.220 121.131 119.914 -0.006 0.000 2.250 777 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 777 V C 2.268 178.386 176.094 0.039 0.000 1.060 777 V CA 1.874 64.183 62.300 0.016 0.000 1.030 777 V CB -0.674 31.146 31.823 -0.004 0.000 0.643 777 V HN 0.253 nan 8.190 nan 0.000 0.445 778 L N -1.120 120.110 121.223 0.011 0.000 2.131 778 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 778 L C 2.289 179.190 176.870 0.053 0.000 1.092 778 L CA 0.939 55.809 54.840 0.050 0.000 0.759 778 L CB -0.485 41.577 42.059 0.005 0.000 0.903 778 L HN 0.308 nan 8.230 nan 0.000 0.435 779 L N -0.076 121.164 121.223 0.028 0.000 2.551 779 L HA 0.017 4.357 4.340 -0.000 0.000 0.228 779 L C 2.000 178.888 176.870 0.031 0.000 1.153 779 L CA 1.090 55.945 54.840 0.025 0.000 0.851 779 L CB -0.680 41.386 42.059 0.013 0.000 0.959 779 L HN 0.113 nan 8.230 nan 0.000 0.451 780 G N -1.473 107.352 108.800 0.042 0.000 3.088 780 G HA2 0.220 4.180 3.960 -0.000 0.000 0.217 780 G HA3 0.220 4.180 3.960 -0.000 0.000 0.217 780 G C 0.365 175.299 174.900 0.057 0.000 1.159 780 G CA -0.230 44.897 45.100 0.046 0.000 0.760 780 G HN 0.204 nan 8.290 nan 0.000 0.550 781 L N 0.766 122.030 121.223 0.068 0.000 2.346 781 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 781 L C -0.203 176.696 176.870 0.049 0.000 1.006 781 L CA -1.038 53.846 54.840 0.073 0.000 0.817 781 L CB 2.198 44.331 42.059 0.124 0.000 1.272 781 L HN -0.053 nan 8.230 nan 0.000 0.421 782 K N 3.231 123.648 120.400 0.028 0.000 2.276 782 K HA 0.131 4.451 4.320 -0.000 0.000 0.259 782 K C -1.601 175.005 176.600 0.010 0.000 1.001 782 K CA -1.253 55.041 56.287 0.012 0.000 0.927 782 K CB 0.592 33.088 32.500 -0.006 0.000 0.969 782 K HN 0.371 nan 8.250 nan 0.000 0.490 783 P HA -0.066 nan 4.420 nan 0.000 0.241 783 P C 0.821 178.101 177.300 -0.034 0.000 1.191 783 P CA 0.816 63.917 63.100 0.001 0.000 0.771 783 P CB 0.020 31.722 31.700 0.004 0.000 0.929 784 C N -2.788 116.492 119.300 -0.034 0.000 3.188 784 C HA 0.322 4.782 4.460 -0.000 0.000 0.315 784 C C 2.544 177.481 174.990 -0.089 0.000 1.285 784 C CA 0.141 59.116 59.018 -0.071 0.000 1.729 784 C CB -0.749 27.036 27.740 0.075 0.000 2.257 784 C HN 0.042 nan 8.230 nan 0.000 0.645 785 E N 2.140 122.311 120.200 -0.049 0.000 2.153 785 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 785 E C 1.711 178.224 176.600 -0.144 0.000 0.988 785 E CA 1.459 57.820 56.400 -0.065 0.000 0.811 785 E CB -0.708 28.979 29.700 -0.022 0.000 0.746 785 E HN 0.722 nan 8.360 nan 0.000 0.466 786 I N 0.436 120.950 120.570 -0.094 0.000 2.208 786 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 786 I C 2.337 178.322 176.117 -0.220 0.000 1.097 786 I CA 1.330 62.583 61.300 -0.078 0.000 1.363 786 I CB -0.123 37.927 38.000 0.084 0.000 1.051 786 I HN 0.086 nan 8.210 nan 0.000 0.413 787 K N 0.081 120.300 120.400 -0.302 0.000 2.057 787 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 787 K C 2.242 178.530 176.600 -0.520 0.000 1.050 787 K CA 1.268 57.243 56.287 -0.520 0.000 0.935 787 K CB -0.279 31.634 32.500 -0.979 0.000 0.715 787 K HN 0.277 nan 8.250 nan 0.000 0.439 788 R N 1.314 121.575 120.500 -0.400 0.000 2.091 788 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 788 R C 2.140 178.260 176.300 -0.300 0.000 1.136 788 R CA 1.506 57.484 56.100 -0.203 0.000 0.959 788 R CB -0.050 30.203 30.300 -0.077 0.000 0.856 788 R HN 0.164 nan 8.270 nan 0.000 0.437 789 Q N 0.508 120.031 119.800 -0.462 0.000 2.061 789 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 789 Q C 1.994 177.601 176.000 -0.654 0.000 0.984 789 Q CA 1.414 56.751 55.803 -0.778 0.000 0.846 789 Q CB -0.253 27.595 28.738 -1.484 0.000 0.902 789 Q HN 0.451 nan 8.270 nan 0.000 0.421 790 E N 0.192 120.140 120.200 -0.419 0.000 2.097 790 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 790 E C 2.217 178.744 176.600 -0.121 0.000 1.000 790 E CA 0.970 57.284 56.400 -0.144 0.000 0.804 790 E CB -0.190 29.469 29.700 -0.068 0.000 0.740 790 E HN 0.173 nan 8.360 nan 0.000 0.454 791 V N 1.369 121.180 119.914 -0.173 0.000 2.244 791 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 791 V C 2.510 178.476 176.094 -0.213 0.000 1.042 791 V CA 1.472 63.690 62.300 -0.137 0.000 1.006 791 V CB -0.538 31.243 31.823 -0.069 0.000 0.641 791 V HN 0.168 nan 8.190 nan 0.000 0.446 792 I N 0.839 121.237 120.570 -0.287 0.000 2.113 792 I HA -0.375 3.795 4.170 -0.000 0.000 0.242 792 I C 2.588 178.340 176.117 -0.609 0.000 1.064 792 I CA 2.314 63.343 61.300 -0.451 0.000 1.320 792 I CB -0.746 36.963 38.000 -0.486 0.000 1.028 792 I HN 0.510 nan 8.210 nan 0.000 0.406 793 N N 0.790 119.237 118.700 -0.421 0.000 2.069 793 N HA -0.310 4.430 4.740 -0.000 0.000 0.196 793 N C 1.897 177.338 175.510 -0.116 0.000 1.024 793 N CA 2.087 55.051 53.050 -0.143 0.000 0.869 793 N CB -0.123 38.420 38.487 0.095 0.000 1.035 793 N HN 0.460 nan 8.380 nan 0.000 0.434 794 E N 0.125 120.160 120.200 -0.274 0.000 2.051 794 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 794 E C 2.162 178.446 176.600 -0.527 0.000 0.991 794 E CA 0.746 56.709 56.400 -0.729 0.000 0.799 794 E CB -0.133 29.323 29.700 -0.407 0.000 0.748 794 E HN 0.277 nan 8.360 nan 0.000 0.449 795 L N 0.799 121.881 121.223 -0.235 0.000 2.010 795 L HA -0.253 4.087 4.340 -0.000 0.000 0.219 795 L C 2.084 179.058 176.870 0.174 0.000 1.077 795 L CA 1.940 56.780 54.840 0.001 0.000 0.773 795 L CB -0.857 41.279 42.059 0.130 0.000 0.892 795 L HN 0.134 nan 8.230 nan 0.000 0.436 796 F N -0.499 119.455 119.950 0.008 0.000 2.113 796 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 796 F C 2.551 178.390 175.800 0.065 0.000 1.103 796 F CA 1.338 59.378 58.000 0.067 0.000 1.248 796 F CB -1.813 37.262 39.000 0.124 0.000 0.999 796 F HN 0.442 nan 8.300 nan 0.000 0.475 797 Y N -0.746 119.711 120.300 0.262 0.000 2.475 797 Y HA 0.098 4.648 4.550 -0.000 0.000 0.289 797 Y C 2.045 178.013 175.900 0.114 0.000 1.121 797 Y CA 0.737 58.937 58.100 0.167 0.000 1.257 797 Y CB -1.847 36.696 38.460 0.138 0.000 1.026 797 Y HN -0.109 nan 8.280 nan 0.000 0.555 798 T N 0.732 115.243 114.554 -0.072 0.000 2.643 798 T HA -0.228 4.122 4.350 -0.000 0.000 0.264 798 T C 1.568 176.302 174.700 0.057 0.000 1.045 798 T CA 1.908 63.993 62.100 -0.024 0.000 1.155 798 T CB -0.362 68.396 68.868 -0.184 0.000 0.863 798 T HN 0.413 nan 8.240 nan 0.000 0.420 799 E N 1.357 121.596 120.200 0.065 0.000 2.108 799 E HA -0.215 4.135 4.350 -0.000 0.000 0.203 799 E C 2.274 178.957 176.600 0.139 0.000 1.022 799 E CA 1.536 58.004 56.400 0.112 0.000 0.823 799 E CB -0.210 29.578 29.700 0.146 0.000 0.744 799 E HN 0.307 nan 8.360 nan 0.000 0.456 800 R N -0.775 119.806 120.500 0.135 0.000 2.096 800 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 800 R C 2.239 178.610 176.300 0.118 0.000 1.127 800 R CA 1.188 57.359 56.100 0.119 0.000 0.968 800 R CB -0.332 30.044 30.300 0.125 0.000 0.861 800 R HN 0.305 nan 8.270 nan 0.000 0.440 801 A N -0.197 122.710 122.820 0.145 0.000 1.898 801 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 801 A C 1.845 179.501 177.584 0.119 0.000 1.181 801 A CA 1.707 53.820 52.037 0.127 0.000 0.620 801 A CB -0.761 18.327 19.000 0.147 0.000 0.819 801 A HN 0.450 nan 8.150 nan 0.000 0.442 802 H N 0.257 119.326 119.070 -0.001 0.000 2.265 802 H HA -0.147 4.409 4.556 -0.000 0.000 0.295 802 H C 1.869 177.178 175.328 -0.032 0.000 1.084 802 H CA 2.360 58.378 56.048 -0.050 0.000 1.261 802 H CB -0.538 29.138 29.762 -0.144 0.000 1.360 802 H HN 0.106 nan 8.280 nan 0.000 0.487 803 V N 1.173 121.093 119.914 0.011 0.000 2.453 803 V HA -0.282 3.838 4.120 -0.000 0.000 0.252 803 V C 2.748 178.810 176.094 -0.054 0.000 1.068 803 V CA 2.221 64.492 62.300 -0.049 0.000 1.070 803 V CB -0.662 31.185 31.823 0.039 0.000 0.664 803 V HN 0.444 nan 8.190 nan 0.000 0.461 804 R N -0.108 120.386 120.500 -0.009 0.000 2.066 804 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 804 R C 2.362 178.657 176.300 -0.008 0.000 1.131 804 R CA 2.076 58.176 56.100 -0.000 0.000 0.955 804 R CB -0.486 29.829 30.300 0.025 0.000 0.851 804 R HN 0.560 nan 8.270 nan 0.000 0.432 805 T N 2.190 116.737 114.554 -0.012 0.000 2.622 805 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 805 T C 1.953 176.646 174.700 -0.012 0.000 1.047 805 T CA 1.599 63.704 62.100 0.008 0.000 1.159 805 T CB -0.359 68.521 68.868 0.019 0.000 0.863 805 T HN 0.174 nan 8.240 nan 0.000 0.422 806 L N 0.649 121.794 121.223 -0.128 0.000 2.034 806 L HA -0.261 4.079 4.340 -0.000 0.000 0.217 806 L C 2.766 179.612 176.870 -0.039 0.000 1.077 806 L CA 1.689 56.455 54.840 -0.124 0.000 0.769 806 L CB -0.587 41.331 42.059 -0.235 0.000 0.890 806 L HN 0.276 nan 8.230 nan 0.000 0.435 807 K N -0.517 119.858 120.400 -0.041 0.000 2.063 807 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 807 K C 2.028 178.635 176.600 0.012 0.000 1.048 807 K CA 1.448 57.722 56.287 -0.022 0.000 0.928 807 K CB -0.317 32.169 32.500 -0.024 0.000 0.713 807 K HN 0.138 nan 8.250 nan 0.000 0.442 808 V N 1.671 121.606 119.914 0.036 0.000 2.287 808 V HA -0.262 3.857 4.120 -0.000 0.000 0.248 808 V C 2.254 178.435 176.094 0.145 0.000 1.053 808 V CA 1.462 63.793 62.300 0.051 0.000 1.027 808 V CB -0.396 31.481 31.823 0.091 0.000 0.646 808 V HN 0.240 nan 8.190 nan 0.000 0.447 809 L N 0.585 121.958 121.223 0.250 0.000 2.012 809 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 809 L C 2.266 179.327 176.870 0.318 0.000 1.073 809 L CA 2.513 57.615 54.840 0.438 0.000 0.748 809 L CB -0.976 41.271 42.059 0.314 0.000 0.891 809 L HN 0.529 nan 8.230 nan 0.000 0.431 810 D N -1.398 119.070 120.400 0.114 0.000 2.078 810 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 810 D C 1.997 178.324 176.300 0.044 0.000 0.990 810 D CA 1.774 55.773 54.000 -0.002 0.000 0.827 810 D CB -0.067 40.680 40.800 -0.089 0.000 0.975 810 D HN 0.496 nan 8.370 nan 0.000 0.451 811 Q N -0.281 119.529 119.800 0.018 0.000 2.062 811 Q HA -0.005 4.335 4.340 -0.000 0.000 0.196 811 Q C 2.579 178.558 176.000 -0.036 0.000 0.967 811 Q CA 0.877 56.678 55.803 -0.004 0.000 0.832 811 Q CB 0.070 28.791 28.738 -0.028 0.000 0.899 811 Q HN 0.214 nan 8.270 nan 0.000 0.442 812 V N 0.261 120.096 119.914 -0.132 0.000 2.358 812 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 812 V C 1.508 177.373 176.094 -0.382 0.000 1.047 812 V CA 1.800 63.868 62.300 -0.386 0.000 1.035 812 V CB -0.351 31.077 31.823 -0.659 0.000 0.658 812 V HN 0.177 nan 8.190 nan 0.000 0.452 813 F N -2.034 118.030 119.950 0.190 0.000 2.484 813 F HA 0.163 4.690 4.527 0.000 0.000 0.268 813 F C 2.131 178.062 175.800 0.219 0.000 0.965 813 F CA 0.338 58.568 58.000 0.383 0.000 1.119 813 F CB -1.298 37.984 39.000 0.469 0.000 1.153 813 F HN -0.002 nan 8.300 nan 0.000 0.689 814 Y N 1.046 121.230 120.300 -0.194 0.000 2.151 814 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 814 Y C 2.496 178.197 175.900 -0.332 0.000 1.166 814 Y CA 2.211 59.725 58.100 -0.977 0.000 1.163 814 Y CB -0.223 37.545 38.460 -1.154 0.000 0.974 814 Y HN 0.181 nan 8.280 nan 0.000 0.511 815 Q N 0.044 119.950 119.800 0.177 0.000 2.212 815 Q HA 0.005 4.345 4.340 -0.000 0.000 0.199 815 Q C 2.112 178.131 176.000 0.031 0.000 0.950 815 Q CA 1.143 57.059 55.803 0.189 0.000 0.863 815 Q CB 0.029 28.869 28.738 0.170 0.000 0.944 815 Q HN 0.404 nan 8.270 nan 0.000 0.465 816 R N -1.116 119.431 120.500 0.078 0.000 2.173 816 R HA 0.067 4.407 4.340 -0.000 0.000 0.208 816 R C 2.036 178.311 176.300 -0.041 0.000 1.035 816 R CA 0.720 56.882 56.100 0.102 0.000 1.004 816 R CB 0.073 30.525 30.300 0.253 0.000 0.917 816 R HN 0.148 nan 8.270 nan 0.000 0.462 817 V N 0.094 119.851 119.914 -0.261 0.000 2.488 817 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 817 V C 2.234 178.131 176.094 -0.328 0.000 1.046 817 V CA 1.794 63.716 62.300 -0.629 0.000 1.053 817 V CB 0.261 31.599 31.823 -0.807 0.000 0.679 817 V HN 0.261 nan 8.190 nan 0.000 0.458 818 S N -0.042 115.463 115.700 -0.325 0.000 2.353 818 S HA -0.297 4.173 4.470 -0.000 0.000 0.222 818 S C 2.244 176.751 174.600 -0.155 0.000 1.035 818 S CA 2.284 60.306 58.200 -0.297 0.000 1.025 818 S CB -0.511 62.419 63.200 -0.450 0.000 0.902 818 S HN 0.614 nan 8.310 nan 0.000 0.440 819 R N 0.255 120.690 120.500 -0.108 0.000 2.120 819 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 819 R C 2.261 178.530 176.300 -0.053 0.000 1.123 819 R CA 1.780 57.849 56.100 -0.052 0.000 0.975 819 R CB -0.290 29.998 30.300 -0.019 0.000 0.866 819 R HN 0.470 nan 8.270 nan 0.000 0.446 820 E N -1.595 118.556 120.200 -0.083 0.000 2.106 820 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 820 E C 1.083 177.651 176.600 -0.053 0.000 0.984 820 E CA 1.652 58.015 56.400 -0.062 0.000 0.806 820 E CB 0.152 29.787 29.700 -0.107 0.000 0.750 820 E HN 0.587 nan 8.360 nan 0.000 0.458 821 G N -0.828 107.928 108.800 -0.073 0.000 2.259 821 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 821 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 821 G C 1.032 175.904 174.900 -0.046 0.000 1.001 821 G CA 0.177 45.247 45.100 -0.049 0.000 0.627 821 G HN 0.248 nan 8.290 nan 0.000 0.501 822 I N 0.970 121.511 120.570 -0.049 0.000 2.103 822 I HA -0.168 4.002 4.170 -0.000 0.000 0.241 822 I C 1.518 177.615 176.117 -0.033 0.000 1.036 822 I CA 1.565 62.857 61.300 -0.013 0.000 1.300 822 I CB -0.251 37.765 38.000 0.027 0.000 1.010 822 I HN 0.205 nan 8.210 nan 0.000 0.406 823 L N 0.365 121.552 121.223 -0.060 0.000 2.334 823 L HA 0.216 4.556 4.340 -0.000 0.000 0.277 823 L C 0.754 177.585 176.870 -0.065 0.000 1.075 823 L CA -0.581 54.211 54.840 -0.081 0.000 0.804 823 L CB 1.387 43.395 42.059 -0.085 0.000 1.174 823 L HN 0.247 nan 8.230 nan 0.000 0.438 824 S N 2.457 118.122 115.700 -0.059 0.000 2.606 824 S HA 0.233 4.703 4.470 -0.000 0.000 0.257 824 S C -1.808 172.776 174.600 -0.026 0.000 1.327 824 S CA -0.871 57.305 58.200 -0.039 0.000 0.984 824 S CB 0.584 63.761 63.200 -0.037 0.000 0.941 824 S HN 0.525 nan 8.310 nan 0.000 0.576 825 P HA 0.089 nan 4.420 nan 0.000 0.236 825 P C 1.191 178.509 177.300 0.031 0.000 1.177 825 P CA 0.702 63.810 63.100 0.014 0.000 0.773 825 P CB -0.190 31.521 31.700 0.018 0.000 0.878 826 S N -0.824 114.884 115.700 0.013 0.000 2.456 826 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 826 S C 1.831 176.435 174.600 0.006 0.000 1.035 826 S CA 0.128 58.337 58.200 0.014 0.000 0.940 826 S CB -0.773 62.425 63.200 -0.003 0.000 0.799 826 S HN 0.083 nan 8.310 nan 0.000 0.508 827 E N 1.747 121.935 120.200 -0.020 0.000 2.047 827 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 827 E C 1.969 178.558 176.600 -0.018 0.000 0.987 827 E CA 1.065 57.433 56.400 -0.052 0.000 0.799 827 E CB -0.446 29.193 29.700 -0.102 0.000 0.752 827 E HN 0.397 nan 8.360 nan 0.000 0.449 828 L N 0.809 122.046 121.223 0.024 0.000 1.997 828 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 828 L C 2.809 179.814 176.870 0.225 0.000 1.074 828 L CA 1.463 56.383 54.840 0.134 0.000 0.763 828 L CB -0.356 41.747 42.059 0.072 0.000 0.890 828 L HN 0.099 nan 8.230 nan 0.000 0.434 829 R N -0.019 120.582 120.500 0.168 0.000 2.148 829 R HA -0.181 4.159 4.340 -0.000 0.000 0.223 829 R C 2.244 178.631 176.300 0.145 0.000 1.088 829 R CA 1.094 57.312 56.100 0.197 0.000 0.985 829 R CB 0.045 30.431 30.300 0.143 0.000 0.880 829 R HN 0.105 nan 8.270 nan 0.000 0.451 830 K N 1.029 121.472 120.400 0.072 0.000 2.025 830 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 830 K C 1.835 178.441 176.600 0.010 0.000 1.049 830 K CA 1.366 57.674 56.287 0.035 0.000 0.933 830 K CB -0.336 32.158 32.500 -0.010 0.000 0.714 830 K HN 0.128 nan 8.250 nan 0.000 0.438 831 I N -0.510 120.019 120.570 -0.069 0.000 2.094 831 I HA -0.226 3.944 4.170 -0.000 0.000 0.234 831 I C 1.717 177.687 176.117 -0.246 0.000 1.063 831 I CA 1.486 62.619 61.300 -0.278 0.000 1.328 831 I CB -0.230 37.427 38.000 -0.572 0.000 1.058 831 I HN 0.041 nan 8.210 nan 0.000 0.400 832 F N 1.044 121.141 119.950 0.245 0.000 2.615 832 F HA -0.022 4.505 4.527 -0.000 0.000 0.297 832 F C 1.975 177.992 175.800 0.362 0.000 1.124 832 F CA 0.493 58.703 58.000 0.351 0.000 1.451 832 F CB -0.914 38.376 39.000 0.484 0.000 1.103 832 F HN 0.253 nan 8.300 nan 0.000 0.569 833 S N 2.016 117.966 115.700 0.416 0.000 3.276 833 S HA -0.393 4.077 4.470 -0.000 0.000 0.600 833 S C 0.781 175.569 174.600 0.314 0.000 2.832 833 S CA 1.241 59.643 58.200 0.338 0.000 4.020 833 S CB -1.456 61.934 63.200 0.317 0.000 0.685 833 S HN 0.581 nan 8.310 nan 0.000 1.252 834 N N 2.467 121.348 118.700 0.302 0.000 2.623 834 N HA 0.212 4.952 4.740 -0.000 0.000 0.263 834 N C 1.112 176.609 175.510 -0.022 0.000 1.218 834 N CA 0.477 53.611 53.050 0.140 0.000 0.949 834 N CB 0.052 38.618 38.487 0.132 0.000 1.270 834 N HN 0.838 nan 8.380 nan 0.000 0.507 835 L N -0.042 121.124 121.223 -0.095 0.000 2.051 835 L HA -0.194 4.146 4.340 -0.000 0.000 0.214 835 L C 2.114 178.853 176.870 -0.219 0.000 1.076 835 L CA 1.956 56.603 54.840 -0.321 0.000 0.758 835 L CB -0.681 41.320 42.059 -0.097 0.000 0.890 835 L HN 0.244 nan 8.230 nan 0.000 0.433 836 E N 0.233 120.331 120.200 -0.171 0.000 2.013 836 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 836 E C 1.946 178.484 176.600 -0.104 0.000 1.018 836 E CA 1.999 58.308 56.400 -0.152 0.000 0.834 836 E CB -0.469 29.140 29.700 -0.152 0.000 0.770 836 E HN 0.607 nan 8.360 nan 0.000 0.459 837 D N 0.224 120.584 120.400 -0.068 0.000 2.157 837 D HA -0.216 4.424 4.640 -0.000 0.000 0.191 837 D C 2.061 178.328 176.300 -0.056 0.000 1.004 837 D CA 1.966 55.940 54.000 -0.043 0.000 0.854 837 D CB -0.504 40.295 40.800 -0.001 0.000 0.936 837 D HN 0.547 nan 8.370 nan 0.000 0.446 838 I N -1.339 119.191 120.570 -0.067 0.000 2.193 838 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 838 I C 2.414 178.527 176.117 -0.006 0.000 1.084 838 I CA 0.610 61.889 61.300 -0.034 0.000 1.365 838 I CB -0.719 37.277 38.000 -0.006 0.000 1.064 838 I HN -0.040 nan 8.210 nan 0.000 0.410 839 L N 1.976 123.164 121.223 -0.059 0.000 2.011 839 L HA -0.311 4.029 4.340 -0.000 0.000 0.225 839 L C 2.664 179.521 176.870 -0.021 0.000 1.084 839 L CA 2.187 57.000 54.840 -0.045 0.000 0.791 839 L CB -1.333 40.669 42.059 -0.095 0.000 0.898 839 L HN 0.371 nan 8.230 nan 0.000 0.440 840 Q N -0.714 119.052 119.800 -0.055 0.000 2.135 840 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 840 Q C 2.311 178.265 176.000 -0.078 0.000 0.981 840 Q CA 1.956 57.722 55.803 -0.061 0.000 0.856 840 Q CB -0.779 27.920 28.738 -0.066 0.000 0.902 840 Q HN 0.605 nan 8.270 nan 0.000 0.425 841 L N 0.485 121.643 121.223 -0.110 0.000 2.012 841 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 841 L C 2.244 178.963 176.870 -0.252 0.000 1.073 841 L CA 1.917 56.636 54.840 -0.203 0.000 0.748 841 L CB -0.642 41.241 42.059 -0.292 0.000 0.891 841 L HN 0.223 nan 8.230 nan 0.000 0.431 842 H N -0.471 118.600 119.070 0.003 0.000 2.307 842 H HA -0.019 4.537 4.556 -0.000 0.000 0.303 842 H C 2.484 177.793 175.328 -0.031 0.000 1.073 842 H CA 1.839 57.908 56.048 0.035 0.000 1.338 842 H CB -0.311 29.552 29.762 0.169 0.000 1.389 842 H HN 0.343 nan 8.280 nan 0.000 0.503 843 I N 0.479 121.090 120.570 0.068 0.000 2.161 843 I HA -0.327 3.843 4.170 -0.000 0.000 0.246 843 I C 2.630 178.713 176.117 -0.056 0.000 1.048 843 I CA 1.751 63.049 61.300 -0.004 0.000 1.314 843 I CB -0.466 37.519 38.000 -0.025 0.000 1.014 843 I HN 0.305 nan 8.210 nan 0.000 0.418 844 G N -0.075 108.673 108.800 -0.088 0.000 2.426 844 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 844 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 844 G C 1.503 176.279 174.900 -0.206 0.000 1.156 844 G CA 0.025 45.048 45.100 -0.128 0.000 0.802 844 G HN 0.214 nan 8.290 nan 0.000 0.534 845 L N 1.771 122.846 121.223 -0.246 0.000 2.189 845 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 845 L C 2.163 178.753 176.870 -0.466 0.000 1.097 845 L CA 2.044 56.630 54.840 -0.423 0.000 0.764 845 L CB -0.796 41.080 42.059 -0.305 0.000 0.900 845 L HN 0.459 nan 8.230 nan 0.000 0.436 846 N N -1.016 117.537 118.700 -0.245 0.000 2.197 846 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 846 N C 1.334 176.700 175.510 -0.239 0.000 1.030 846 N CA 0.886 53.807 53.050 -0.215 0.000 0.851 846 N CB 0.069 38.516 38.487 -0.066 0.000 1.003 846 N HN 0.342 nan 8.380 nan 0.000 0.430 847 E N 1.004 121.100 120.200 -0.173 0.000 2.204 847 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 847 E C 1.819 178.319 176.600 -0.166 0.000 0.990 847 E CA 0.740 57.057 56.400 -0.138 0.000 0.821 847 E CB -0.297 29.348 29.700 -0.091 0.000 0.750 847 E HN 0.597 nan 8.360 nan 0.000 0.477 848 Q N -0.055 119.600 119.800 -0.242 0.000 2.079 848 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 848 Q C 2.178 178.056 176.000 -0.202 0.000 0.974 848 Q CA 1.159 56.838 55.803 -0.208 0.000 0.840 848 Q CB 0.019 28.543 28.738 -0.357 0.000 0.898 848 Q HN 0.252 nan 8.270 nan 0.000 0.430 849 M N -0.271 119.044 119.600 -0.474 0.000 2.132 849 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 849 M C 1.980 178.015 176.300 -0.442 0.000 1.065 849 M CA 1.428 56.366 55.300 -0.604 0.000 1.122 849 M CB -0.026 31.988 32.600 -0.977 0.000 1.365 849 M HN -0.009 nan 8.290 nan 0.000 0.411 850 K N 0.514 120.748 120.400 -0.278 0.000 2.020 850 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 850 K C 2.076 178.632 176.600 -0.073 0.000 1.050 850 K CA 1.655 57.858 56.287 -0.140 0.000 0.929 850 K CB -0.536 31.917 32.500 -0.079 0.000 0.714 850 K HN 0.327 nan 8.250 nan 0.000 0.443 851 A N 0.965 123.750 122.820 -0.057 0.000 1.899 851 A HA -0.306 4.014 4.320 -0.000 0.000 0.230 851 A C 2.349 179.953 177.584 0.034 0.000 1.593 851 A CA 2.795 54.830 52.037 -0.004 0.000 0.728 851 A CB -1.406 17.602 19.000 0.013 0.000 0.848 851 A HN 0.152 nan 8.150 nan 0.000 0.490 852 V N -0.698 119.245 119.914 0.048 0.000 2.490 852 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 852 V C 2.577 178.766 176.094 0.159 0.000 1.061 852 V CA 2.275 64.653 62.300 0.131 0.000 1.064 852 V CB -0.872 31.095 31.823 0.240 0.000 0.670 852 V HN 0.531 nan 8.190 nan 0.000 0.461 853 R N -0.040 120.540 120.500 0.133 0.000 2.075 853 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 853 R C 2.502 178.880 176.300 0.131 0.000 1.126 853 R CA 1.198 57.410 56.100 0.187 0.000 0.963 853 R CB -0.186 30.221 30.300 0.178 0.000 0.858 853 R HN 0.441 nan 8.270 nan 0.000 0.435 854 K N 0.283 120.734 120.400 0.085 0.000 2.026 854 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 854 K C 1.997 178.638 176.600 0.068 0.000 1.048 854 K CA 0.933 57.261 56.287 0.067 0.000 0.929 854 K CB -0.247 32.279 32.500 0.044 0.000 0.713 854 K HN 0.183 nan 8.250 nan 0.000 0.439 855 R N 1.099 121.640 120.500 0.068 0.000 2.227 855 R HA -0.151 4.189 4.340 -0.000 0.000 0.259 855 R C 0.602 176.941 176.300 0.064 0.000 1.139 855 R CA 1.427 57.564 56.100 0.062 0.000 0.969 855 R CB -0.541 29.800 30.300 0.068 0.000 0.903 855 R HN 0.452 nan 8.270 nan 0.000 0.452 856 N N 0.832 119.583 118.700 0.085 0.000 2.421 856 N HA 0.061 4.801 4.740 -0.000 0.000 0.285 856 N C 0.149 175.710 175.510 0.084 0.000 1.027 856 N CA -0.207 52.894 53.050 0.084 0.000 0.918 856 N CB 1.648 40.197 38.487 0.103 0.000 1.152 856 N HN 0.140 nan 8.380 nan 0.000 0.485 857 E N 0.592 120.833 120.200 0.069 0.000 2.047 857 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 857 E C 0.736 177.380 176.600 0.073 0.000 0.987 857 E CA 1.120 57.557 56.400 0.062 0.000 0.799 857 E CB 0.030 29.759 29.700 0.049 0.000 0.752 857 E HN 0.743 nan 8.360 nan 0.000 0.449 858 T N -1.705 112.899 114.554 0.084 0.000 2.595 858 T HA -0.025 4.325 4.350 -0.000 0.000 0.339 858 T C 0.979 175.764 174.700 0.141 0.000 1.059 858 T CA 0.003 62.166 62.100 0.106 0.000 1.035 858 T CB 0.901 69.842 68.868 0.121 0.000 1.003 858 T HN -0.162 nan 8.240 nan 0.000 0.540 859 S N -0.490 115.319 115.700 0.181 0.000 2.568 859 S HA 0.294 4.763 4.470 -0.000 0.000 0.232 859 S C 0.179 175.050 174.600 0.452 0.000 0.975 859 S CA -0.542 57.825 58.200 0.277 0.000 0.949 859 S CB 0.117 63.448 63.200 0.217 0.000 0.829 859 S HN 0.555 nan 8.310 nan 0.000 0.479 860 V N 3.140 123.263 119.914 0.349 0.000 2.389 860 V HA 0.290 4.410 4.120 -0.000 0.000 0.264 860 V C -0.195 175.992 176.094 0.155 0.000 1.049 860 V CA -0.379 62.096 62.300 0.291 0.000 0.932 860 V CB 0.469 32.432 31.823 0.234 0.000 1.011 860 V HN 0.291 nan 8.190 nan 0.000 0.475 861 I N 6.069 126.690 120.570 0.085 0.000 2.363 861 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 861 I C 0.958 177.096 176.117 0.036 0.000 1.075 861 I CA 0.335 61.686 61.300 0.085 0.000 1.333 861 I CB 0.076 38.121 38.000 0.075 0.000 1.415 861 I HN 0.574 nan 8.210 nan 0.000 0.502 862 D N 5.396 125.832 120.400 0.060 0.000 2.249 862 D HA 0.003 4.643 4.640 -0.000 0.000 0.269 862 D C 0.330 176.648 176.300 0.031 0.000 1.220 862 D CA -0.278 53.750 54.000 0.047 0.000 1.016 862 D CB 0.209 41.037 40.800 0.047 0.000 1.133 862 D HN 0.549 nan 8.370 nan 0.000 0.533 863 Q N 0.391 120.200 119.800 0.016 0.000 2.618 863 Q HA -0.117 4.223 4.340 -0.000 0.000 0.344 863 Q C 0.119 176.113 176.000 -0.009 0.000 1.073 863 Q CA 0.598 56.396 55.803 -0.009 0.000 1.105 863 Q CB 0.313 29.017 28.738 -0.056 0.000 1.028 863 Q HN 0.489 nan 8.270 nan 0.000 0.397 864 I N 2.751 123.311 120.570 -0.017 0.000 4.147 864 I HA 0.131 4.301 4.170 -0.000 0.000 0.329 864 I C 1.195 177.245 176.117 -0.111 0.000 1.424 864 I CA 0.321 61.601 61.300 -0.034 0.000 1.127 864 I CB 0.127 38.136 38.000 0.015 0.000 1.128 864 I HN 0.882 nan 8.210 nan 0.000 0.417 865 G N 0.904 109.652 108.800 -0.087 0.000 2.505 865 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 865 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 865 G C 1.169 175.982 174.900 -0.145 0.000 1.237 865 G CA 0.478 45.523 45.100 -0.092 0.000 0.802 865 G HN 0.280 nan 8.290 nan 0.000 0.549 866 E N 1.202 121.323 120.200 -0.132 0.000 2.276 866 E HA -0.241 4.109 4.350 -0.000 0.000 0.226 866 E C 2.076 178.516 176.600 -0.267 0.000 1.090 866 E CA 1.924 58.230 56.400 -0.156 0.000 0.930 866 E CB -0.603 29.021 29.700 -0.127 0.000 0.791 866 E HN 0.500 nan 8.360 nan 0.000 0.467 867 D N -0.613 119.554 120.400 -0.388 0.000 2.269 867 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 867 D C 2.014 177.545 176.300 -1.282 0.000 0.963 867 D CA 0.402 53.931 54.000 -0.785 0.000 0.864 867 D CB -0.050 40.279 40.800 -0.785 0.000 0.936 867 D HN 0.154 nan 8.370 nan 0.000 0.505 868 L N -0.139 120.677 121.223 -0.679 0.000 2.162 868 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 868 L C 2.090 178.919 176.870 -0.069 0.000 1.086 868 L CA 0.381 55.037 54.840 -0.306 0.000 0.778 868 L CB -0.021 42.030 42.059 -0.013 0.000 0.928 868 L HN 0.083 nan 8.230 nan 0.000 0.446 869 L N -0.975 120.177 121.223 -0.118 0.000 2.056 869 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 869 L C 2.532 179.325 176.870 -0.128 0.000 1.078 869 L CA 1.389 56.194 54.840 -0.058 0.000 0.749 869 L CB -0.816 41.204 42.059 -0.065 0.000 0.901 869 L HN 0.235 nan 8.230 nan 0.000 0.433 870 T N -1.234 113.180 114.554 -0.233 0.000 2.788 870 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 870 T C 1.484 176.119 174.700 -0.108 0.000 1.044 870 T CA 1.204 63.195 62.100 -0.181 0.000 1.139 870 T CB -0.174 68.579 68.868 -0.192 0.000 0.867 870 T HN 0.357 nan 8.240 nan 0.000 0.454 871 W N -0.131 120.953 121.300 -0.359 0.000 2.576 871 W HA 0.316 4.976 4.660 0.000 0.000 0.270 871 W C 1.479 177.469 176.519 -0.881 0.000 1.255 871 W CA -0.154 56.765 57.345 -0.710 0.000 1.314 871 W CB -0.999 27.805 29.460 -1.093 0.000 1.101 871 W HN 0.360 nan 8.180 nan 0.000 0.595 872 F N -0.428 119.576 119.950 0.090 0.000 2.711 872 F HA 0.100 4.627 4.527 -0.000 0.000 0.296 872 F C 1.745 177.518 175.800 -0.045 0.000 1.096 872 F CA 0.322 58.327 58.000 0.009 0.000 1.280 872 F CB -0.366 38.649 39.000 0.025 0.000 1.060 872 F HN -0.364 nan 8.300 nan 0.000 0.608 873 S N -0.186 115.516 115.700 0.004 0.000 2.694 873 S HA 0.709 5.179 4.470 -0.000 0.000 0.278 873 S C 0.988 175.469 174.600 -0.198 0.000 1.152 873 S CA 0.078 58.120 58.200 -0.263 0.000 1.010 873 S CB 0.966 63.931 63.200 -0.391 0.000 1.104 873 S HN 0.587 nan 8.310 nan 0.000 0.547 874 G N 1.278 109.926 108.800 -0.253 0.000 2.611 874 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.301 874 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.301 874 G C -2.029 172.808 174.900 -0.105 0.000 1.233 874 G CA 0.209 45.218 45.100 -0.152 0.000 0.993 874 G HN 0.731 nan 8.290 nan 0.000 0.553 875 P HA 0.204 nan 4.420 nan 0.000 0.255 875 P C 1.598 178.862 177.300 -0.061 0.000 1.248 875 P CA 1.509 64.570 63.100 -0.065 0.000 0.807 875 P CB 0.048 31.713 31.700 -0.059 0.000 1.150 876 G N 0.234 108.993 108.800 -0.069 0.000 2.395 876 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 876 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 876 G C 1.516 176.387 174.900 -0.049 0.000 1.177 876 G CA 0.280 45.337 45.100 -0.073 0.000 0.794 876 G HN 0.207 nan 8.290 nan 0.000 0.532 877 E N 0.180 120.358 120.200 -0.036 0.000 2.055 877 E HA -0.233 4.117 4.350 -0.000 0.000 0.209 877 E C 2.407 178.993 176.600 -0.024 0.000 1.036 877 E CA 1.488 57.883 56.400 -0.009 0.000 0.849 877 E CB -0.046 29.632 29.700 -0.037 0.000 0.767 877 E HN 0.279 nan 8.360 nan 0.000 0.461 878 E N 0.340 120.523 120.200 -0.029 0.000 2.118 878 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 878 E C 1.966 178.620 176.600 0.089 0.000 0.992 878 E CA 1.019 57.433 56.400 0.024 0.000 0.804 878 E CB -0.241 29.452 29.700 -0.012 0.000 0.741 878 E HN 0.252 nan 8.360 nan 0.000 0.458 879 K N 0.345 120.755 120.400 0.017 0.000 2.025 879 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 879 K C 2.147 178.777 176.600 0.050 0.000 1.049 879 K CA 0.762 57.062 56.287 0.021 0.000 0.933 879 K CB -0.131 32.350 32.500 -0.032 0.000 0.714 879 K HN 0.007 nan 8.250 nan 0.000 0.438 880 L N 2.159 123.395 121.223 0.022 0.000 2.046 880 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 880 L C 1.959 178.887 176.870 0.096 0.000 1.077 880 L CA 1.996 56.862 54.840 0.044 0.000 0.747 880 L CB -0.723 41.365 42.059 0.049 0.000 0.896 880 L HN 0.248 nan 8.230 nan 0.000 0.432 881 K N -2.304 118.120 120.400 0.040 0.000 2.057 881 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 881 K C 1.986 178.633 176.600 0.079 0.000 1.050 881 K CA 1.771 58.059 56.287 0.003 0.000 0.935 881 K CB -0.756 31.534 32.500 -0.349 0.000 0.715 881 K HN 0.316 nan 8.250 nan 0.000 0.439 882 H N 0.855 119.981 119.070 0.095 0.000 2.353 882 H HA 0.045 4.601 4.556 -0.000 0.000 0.300 882 H C 2.237 177.682 175.328 0.195 0.000 1.090 882 H CA 1.945 58.115 56.048 0.204 0.000 1.327 882 H CB -0.180 29.640 29.762 0.096 0.000 1.383 882 H HN 0.436 nan 8.280 nan 0.000 0.508 883 A N 0.790 123.754 122.820 0.241 0.000 1.930 883 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 883 A C 2.437 180.159 177.584 0.232 0.000 1.175 883 A CA 1.308 53.460 52.037 0.191 0.000 0.627 883 A CB -0.977 18.093 19.000 0.116 0.000 0.815 883 A HN 0.459 nan 8.150 nan 0.000 0.443 884 A N 0.169 123.131 122.820 0.237 0.000 1.821 884 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 884 A C 2.566 180.302 177.584 0.254 0.000 1.216 884 A CA 2.494 54.697 52.037 0.277 0.000 0.615 884 A CB -1.529 17.627 19.000 0.260 0.000 0.862 884 A HN 1.297 nan 8.150 nan 0.000 0.450 885 A N -0.614 122.342 122.820 0.227 0.000 1.969 885 A HA -0.310 4.010 4.320 -0.000 0.000 0.223 885 A C 2.437 180.096 177.584 0.125 0.000 1.218 885 A CA 3.674 55.790 52.037 0.131 0.000 0.667 885 A CB -1.892 17.150 19.000 0.069 0.000 0.826 885 A HN 1.121 nan 8.150 nan 0.000 0.472 886 T N -4.185 110.479 114.554 0.183 0.000 2.915 886 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 886 T C 1.632 176.459 174.700 0.212 0.000 1.071 886 T CA 1.474 63.680 62.100 0.177 0.000 1.132 886 T CB -0.350 68.631 68.868 0.188 0.000 0.878 886 T HN 0.354 nan 8.240 nan 0.000 0.479 887 F N 1.473 121.492 119.950 0.115 0.000 2.147 887 F HA 0.155 4.682 4.527 -0.000 0.000 0.291 887 F C 2.463 178.319 175.800 0.093 0.000 1.093 887 F CA -0.394 57.674 58.000 0.114 0.000 1.263 887 F CB -0.817 38.263 39.000 0.134 0.000 1.036 887 F HN 0.246 nan 8.300 nan 0.000 0.481 888 C N 0.318 119.636 119.300 0.030 0.000 2.429 888 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 888 C C 3.170 178.068 174.990 -0.154 0.000 1.262 888 C CA 1.392 60.355 59.018 -0.092 0.000 1.733 888 C CB -1.644 26.120 27.740 0.041 0.000 2.010 888 C HN 0.669 nan 8.230 nan 0.000 0.483 889 S N 1.298 116.952 115.700 -0.075 0.000 2.447 889 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 889 S C 1.436 175.978 174.600 -0.096 0.000 1.006 889 S CA 1.676 59.829 58.200 -0.079 0.000 0.957 889 S CB -0.862 62.332 63.200 -0.010 0.000 0.773 889 S HN 0.667 nan 8.310 nan 0.000 0.507 890 N N 1.628 120.281 118.700 -0.077 0.000 2.459 890 N HA -0.068 4.672 4.740 -0.000 0.000 0.181 890 N C 1.816 177.243 175.510 -0.139 0.000 1.046 890 N CA 0.850 53.912 53.050 0.019 0.000 0.904 890 N CB -0.346 38.161 38.487 0.033 0.000 0.964 890 N HN 0.698 nan 8.380 nan 0.000 0.444 891 Q N 0.637 120.263 119.800 -0.291 0.000 2.014 891 Q HA -0.134 4.206 4.340 -0.000 0.000 0.207 891 Q C -0.911 174.915 176.000 -0.289 0.000 0.993 891 Q CA 1.924 57.548 55.803 -0.298 0.000 0.850 891 Q CB -0.950 27.615 28.738 -0.288 0.000 0.916 891 Q HN 0.267 nan 8.270 nan 0.000 0.417 892 P HA -0.197 nan 4.420 nan 0.000 0.217 892 P C 0.747 177.817 177.300 -0.384 0.000 1.158 892 P CA 1.725 64.521 63.100 -0.507 0.000 0.887 892 P CB -0.233 30.917 31.700 -0.917 0.000 0.792 893 F N -1.316 118.583 119.950 -0.085 0.000 2.335 893 F HA 0.168 4.695 4.527 -0.000 0.000 0.296 893 F C 2.415 178.162 175.800 -0.088 0.000 1.091 893 F CA 0.542 58.496 58.000 -0.077 0.000 1.399 893 F CB -1.695 37.264 39.000 -0.067 0.000 1.067 893 F HN -0.134 nan 8.300 nan 0.000 0.520 894 A N 0.562 123.396 122.820 0.023 0.000 1.902 894 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 894 A C 2.224 179.762 177.584 -0.078 0.000 1.181 894 A CA 1.428 53.431 52.037 -0.057 0.000 0.623 894 A CB -1.060 17.871 19.000 -0.115 0.000 0.818 894 A HN 0.374 nan 8.150 nan 0.000 0.443 895 L N -1.076 120.095 121.223 -0.086 0.000 2.072 895 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 895 L C 2.568 179.414 176.870 -0.041 0.000 1.079 895 L CA 1.586 56.382 54.840 -0.073 0.000 0.752 895 L CB -0.539 41.468 42.059 -0.087 0.000 0.906 895 L HN 0.550 nan 8.230 nan 0.000 0.436 896 E N 0.242 120.425 120.200 -0.029 0.000 2.114 896 E HA -0.343 4.007 4.350 -0.000 0.000 0.199 896 E C 2.185 178.777 176.600 -0.014 0.000 1.008 896 E CA 2.057 58.454 56.400 -0.004 0.000 0.810 896 E CB -0.075 29.646 29.700 0.036 0.000 0.739 896 E HN 0.308 nan 8.360 nan 0.000 0.456 897 M N 0.145 119.726 119.600 -0.031 0.000 2.099 897 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 897 M C 1.946 178.194 176.300 -0.087 0.000 1.067 897 M CA 1.482 56.736 55.300 -0.076 0.000 1.124 897 M CB -0.109 32.427 32.600 -0.107 0.000 1.353 897 M HN 0.167 nan 8.290 nan 0.000 0.410 898 I N -0.143 120.403 120.570 -0.039 0.000 2.163 898 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 898 I C 2.372 178.566 176.117 0.128 0.000 1.085 898 I CA 1.499 62.855 61.300 0.093 0.000 1.347 898 I CB -0.491 37.567 38.000 0.096 0.000 1.044 898 I HN 0.287 nan 8.210 nan 0.000 0.408 899 K N 0.540 120.972 120.400 0.053 0.000 2.026 899 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 899 K C 2.306 178.936 176.600 0.050 0.000 1.048 899 K CA 1.812 58.129 56.287 0.051 0.000 0.929 899 K CB -0.316 32.196 32.500 0.019 0.000 0.713 899 K HN 0.196 nan 8.250 nan 0.000 0.439 900 S N 0.033 115.743 115.700 0.017 0.000 2.349 900 S HA -0.120 4.350 4.470 -0.000 0.000 0.216 900 S C 1.909 176.511 174.600 0.002 0.000 1.033 900 S CA 0.994 59.194 58.200 0.001 0.000 1.021 900 S CB -0.264 62.920 63.200 -0.026 0.000 0.968 900 S HN 0.265 nan 8.310 nan 0.000 0.426 901 R N 1.223 121.683 120.500 -0.067 0.000 2.249 901 R HA -0.013 4.327 4.340 -0.000 0.000 0.230 901 R C 2.384 178.754 176.300 0.117 0.000 1.121 901 R CA 1.031 57.049 56.100 -0.137 0.000 0.997 901 R CB -0.979 28.981 30.300 -0.568 0.000 0.867 901 R HN 0.662 nan 8.270 nan 0.000 0.465 902 Q N 0.191 120.150 119.800 0.265 0.000 2.049 902 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 902 Q C 1.849 177.946 176.000 0.160 0.000 0.971 902 Q CA 1.309 57.298 55.803 0.309 0.000 0.833 902 Q CB 0.042 28.923 28.738 0.238 0.000 0.896 902 Q HN 0.108 nan 8.270 nan 0.000 0.434 903 K N 0.301 120.761 120.400 0.100 0.000 2.148 903 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 903 K C 1.695 178.332 176.600 0.061 0.000 1.050 903 K CA 0.956 57.282 56.287 0.066 0.000 0.942 903 K CB 0.273 32.799 32.500 0.042 0.000 0.724 903 K HN -0.047 nan 8.250 nan 0.000 0.446 904 K N 0.267 120.701 120.400 0.058 0.000 2.418 904 K HA -0.004 4.316 4.320 -0.000 0.000 0.195 904 K C -0.147 176.485 176.600 0.054 0.000 1.035 904 K CA 0.544 56.854 56.287 0.038 0.000 1.003 904 K CB 0.275 32.778 32.500 0.006 0.000 0.793 904 K HN 0.061 nan 8.250 nan 0.000 0.494 905 D N -0.177 120.283 120.400 0.100 0.000 2.479 905 D HA 0.157 4.797 4.640 -0.000 0.000 0.246 905 D C 0.398 176.782 176.300 0.139 0.000 1.336 905 D CA -0.155 53.917 54.000 0.121 0.000 0.967 905 D CB 1.479 42.375 40.800 0.160 0.000 1.275 905 D HN -0.264 nan 8.370 nan 0.000 0.577 906 S N 2.684 118.441 115.700 0.095 0.000 2.407 906 S HA -0.277 4.193 4.470 -0.000 0.000 0.244 906 S C 1.729 176.392 174.600 0.104 0.000 1.077 906 S CA 1.638 59.888 58.200 0.083 0.000 1.159 906 S CB 0.114 63.351 63.200 0.062 0.000 1.045 906 S HN 0.561 nan 8.310 nan 0.000 0.438 907 R N -1.121 119.452 120.500 0.122 0.000 2.093 907 R HA 0.077 4.417 4.340 -0.000 0.000 0.224 907 R C 2.088 178.508 176.300 0.200 0.000 1.101 907 R CA 1.079 57.261 56.100 0.136 0.000 0.979 907 R CB -0.403 29.964 30.300 0.112 0.000 0.877 907 R HN 0.439 nan 8.270 nan 0.000 0.441 908 F N 2.156 122.167 119.950 0.102 0.000 2.234 908 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 908 F C 2.542 178.472 175.800 0.217 0.000 1.087 908 F CA 1.394 59.484 58.000 0.149 0.000 1.340 908 F CB 0.024 39.076 39.000 0.086 0.000 1.031 908 F HN -0.070 nan 8.300 nan 0.000 0.500 909 Q N -0.158 119.718 119.800 0.126 0.000 2.089 909 Q HA -0.115 4.225 4.340 -0.000 0.000 0.195 909 Q C 2.175 178.165 176.000 -0.016 0.000 0.963 909 Q CA 1.867 57.681 55.803 0.018 0.000 0.834 909 Q CB -0.546 28.243 28.738 0.086 0.000 0.906 909 Q HN 0.333 nan 8.270 nan 0.000 0.452 910 T N 1.490 116.066 114.554 0.036 0.000 2.624 910 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 910 T C 1.441 176.145 174.700 0.007 0.000 1.050 910 T CA 2.113 64.231 62.100 0.031 0.000 1.163 910 T CB -0.629 68.279 68.868 0.066 0.000 0.861 910 T HN 0.426 nan 8.240 nan 0.000 0.443 911 F N 1.313 121.200 119.950 -0.104 0.000 2.134 911 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 911 F C 2.186 177.911 175.800 -0.124 0.000 1.097 911 F CA 0.948 58.881 58.000 -0.112 0.000 1.264 911 F CB -0.504 38.422 39.000 -0.122 0.000 1.001 911 F HN -0.024 nan 8.300 nan 0.000 0.479 912 V N 0.487 120.163 119.914 -0.396 0.000 2.453 912 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 912 V C 2.407 178.357 176.094 -0.240 0.000 1.048 912 V CA 2.049 64.111 62.300 -0.396 0.000 1.049 912 V CB -0.841 30.803 31.823 -0.298 0.000 0.672 912 V HN 0.445 nan 8.190 nan 0.000 0.457 913 Q N -0.072 119.621 119.800 -0.177 0.000 1.993 913 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 913 Q C 2.296 178.224 176.000 -0.120 0.000 0.984 913 Q CA 2.137 57.879 55.803 -0.102 0.000 0.837 913 Q CB -0.320 28.380 28.738 -0.063 0.000 0.902 913 Q HN 0.718 nan 8.270 nan 0.000 0.423 914 D N -0.355 119.950 120.400 -0.159 0.000 2.123 914 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 914 D C 1.632 177.803 176.300 -0.216 0.000 0.992 914 D CA 1.507 55.413 54.000 -0.157 0.000 0.833 914 D CB 0.026 40.745 40.800 -0.134 0.000 0.954 914 D HN 0.325 nan 8.370 nan 0.000 0.455 915 A N 0.683 123.283 122.820 -0.367 0.000 1.972 915 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 915 A C 2.128 179.583 177.584 -0.216 0.000 1.169 915 A CA 1.452 53.231 52.037 -0.430 0.000 0.635 915 A CB -0.542 18.030 19.000 -0.714 0.000 0.810 915 A HN 0.353 nan 8.150 nan 0.000 0.446 916 E N 0.011 120.195 120.200 -0.026 0.000 2.274 916 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 916 E C 1.857 178.459 176.600 0.004 0.000 0.996 916 E CA 0.993 57.443 56.400 0.084 0.000 0.840 916 E CB -0.070 29.675 29.700 0.076 0.000 0.772 916 E HN 0.742 nan 8.360 nan 0.000 0.491 917 S N 0.758 116.430 115.700 -0.048 0.000 2.650 917 S HA -0.014 4.456 4.470 -0.000 0.000 0.219 917 S C 0.528 175.091 174.600 -0.062 0.000 0.960 917 S CA -0.414 57.759 58.200 -0.046 0.000 0.925 917 S CB -0.103 63.067 63.200 -0.050 0.000 0.775 917 S HN 0.025 nan 8.310 nan 0.000 0.525 918 N N 2.575 121.219 118.700 -0.093 0.000 2.458 918 N HA 0.279 5.019 4.740 -0.000 0.000 0.270 918 N C -2.240 173.232 175.510 -0.062 0.000 1.102 918 N CA -1.916 51.075 53.050 -0.098 0.000 0.967 918 N CB 1.629 40.021 38.487 -0.158 0.000 1.078 918 N HN 0.001 nan 8.380 nan 0.000 0.471 919 P HA -0.011 nan 4.420 nan 0.000 0.228 919 P C 1.355 178.644 177.300 -0.019 0.000 1.151 919 P CA 0.659 63.745 63.100 -0.024 0.000 0.770 919 P CB 0.275 31.963 31.700 -0.020 0.000 0.786 920 L N -1.624 119.579 121.223 -0.034 0.000 2.261 920 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 920 L C 2.265 179.137 176.870 0.003 0.000 1.114 920 L CA 1.168 55.994 54.840 -0.023 0.000 0.777 920 L CB -1.030 41.000 42.059 -0.048 0.000 0.910 920 L HN 0.099 nan 8.230 nan 0.000 0.440 921 C N -0.639 118.664 119.300 0.006 0.000 2.450 921 C HA -0.023 4.437 4.460 -0.000 0.000 0.279 921 C C 1.682 176.709 174.990 0.063 0.000 1.335 921 C CA 0.082 59.139 59.018 0.065 0.000 1.749 921 C CB -0.832 26.961 27.740 0.088 0.000 1.963 921 C HN 0.584 nan 8.230 nan 0.000 0.501 922 R N -0.865 119.655 120.500 0.035 0.000 3.776 922 R HA -0.237 4.103 4.340 -0.000 0.000 0.312 922 R C 0.391 176.711 176.300 0.033 0.000 1.181 922 R CA 0.787 56.905 56.100 0.030 0.000 0.836 922 R CB -2.122 28.199 30.300 0.035 0.000 1.324 922 R HN 0.733 nan 8.270 nan 0.000 0.501 923 R N -2.158 118.363 120.500 0.034 0.000 3.951 923 R HA -0.178 4.162 4.340 -0.000 0.000 0.352 923 R C 0.210 176.535 176.300 0.040 0.000 1.178 923 R CA 1.530 57.650 56.100 0.032 0.000 0.949 923 R CB -1.899 28.413 30.300 0.020 0.000 1.452 923 R HN 0.347 nan 8.270 nan 0.000 0.540 924 L N 1.361 122.618 121.223 0.057 0.000 2.464 924 L HA 0.159 4.499 4.340 -0.000 0.000 0.264 924 L C 1.174 178.090 176.870 0.076 0.000 1.199 924 L CA 0.113 54.989 54.840 0.060 0.000 0.818 924 L CB 0.519 42.620 42.059 0.070 0.000 1.102 924 L HN 0.201 nan 8.230 nan 0.000 0.473 925 Q N 0.397 120.222 119.800 0.042 0.000 2.207 925 Q HA 0.157 4.497 4.340 -0.000 0.000 0.237 925 Q C 0.657 176.627 176.000 -0.049 0.000 0.998 925 Q CA -0.952 54.861 55.803 0.018 0.000 0.951 925 Q CB 1.236 29.970 28.738 -0.007 0.000 1.213 925 Q HN 0.386 nan 8.270 nan 0.000 0.499 926 L N 2.002 123.116 121.223 -0.183 0.000 1.989 926 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 926 L C 2.093 178.853 176.870 -0.184 0.000 1.071 926 L CA 2.183 56.783 54.840 -0.399 0.000 0.749 926 L CB -0.871 40.868 42.059 -0.534 0.000 0.890 926 L HN 0.737 nan 8.230 nan 0.000 0.431 927 K N -1.295 119.037 120.400 -0.114 0.000 2.218 927 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 927 K C 1.353 177.928 176.600 -0.042 0.000 1.046 927 K CA 2.079 58.325 56.287 -0.069 0.000 0.933 927 K CB -0.700 31.772 32.500 -0.048 0.000 0.728 927 K HN 0.382 nan 8.250 nan 0.000 0.454 928 D N 0.584 120.968 120.400 -0.026 0.000 2.289 928 D HA 0.057 4.697 4.640 -0.000 0.000 0.207 928 D C 1.594 177.908 176.300 0.023 0.000 0.966 928 D CA 0.676 54.676 54.000 0.001 0.000 0.868 928 D CB 0.143 40.951 40.800 0.013 0.000 0.943 928 D HN 0.239 nan 8.370 nan 0.000 0.514 929 I N -0.040 120.543 120.570 0.023 0.000 3.035 929 I HA -0.011 4.159 4.170 -0.000 0.000 0.271 929 I C 1.752 177.928 176.117 0.098 0.000 1.190 929 I CA 0.281 61.623 61.300 0.071 0.000 1.472 929 I CB 0.226 38.290 38.000 0.107 0.000 1.116 929 I HN -0.016 nan 8.210 nan 0.000 0.443 930 I N 1.592 122.200 120.570 0.063 0.000 2.252 930 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 930 I C -0.630 175.545 176.117 0.097 0.000 1.102 930 I CA 1.312 62.673 61.300 0.101 0.000 1.385 930 I CB -1.204 36.796 38.000 -0.001 0.000 1.064 930 I HN 0.135 nan 8.210 nan 0.000 0.414 931 P HA -0.117 nan 4.420 nan 0.000 0.236 931 P C 1.384 178.739 177.300 0.091 0.000 1.172 931 P CA 1.089 64.207 63.100 0.029 0.000 0.759 931 P CB -0.407 31.296 31.700 0.005 0.000 0.843 932 T N -3.556 111.091 114.554 0.155 0.000 2.985 932 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 932 T C 1.951 176.803 174.700 0.253 0.000 1.076 932 T CA 0.734 62.941 62.100 0.178 0.000 1.135 932 T CB -0.548 68.436 68.868 0.194 0.000 0.890 932 T HN -0.024 nan 8.240 nan 0.000 0.480 933 Q N 0.419 120.431 119.800 0.354 0.000 2.084 933 Q HA -0.036 4.303 4.340 -0.000 0.000 0.202 933 Q C 2.322 178.483 176.000 0.269 0.000 0.978 933 Q CA 1.560 57.617 55.803 0.424 0.000 0.844 933 Q CB -0.555 28.542 28.738 0.599 0.000 0.898 933 Q HN 0.514 nan 8.270 nan 0.000 0.426 934 M N -0.051 119.668 119.600 0.198 0.000 2.067 934 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 934 M C 1.850 178.195 176.300 0.075 0.000 1.069 934 M CA 1.938 57.308 55.300 0.117 0.000 1.117 934 M CB -0.564 32.072 32.600 0.059 0.000 1.334 934 M HN 0.372 nan 8.290 nan 0.000 0.407 935 Q N -0.399 119.437 119.800 0.060 0.000 1.998 935 Q HA -0.285 4.055 4.340 -0.000 0.000 0.209 935 Q C 2.157 178.127 176.000 -0.051 0.000 1.002 935 Q CA 2.731 58.542 55.803 0.012 0.000 0.858 935 Q CB -0.353 28.397 28.738 0.021 0.000 0.932 935 Q HN 0.464 nan 8.270 nan 0.000 0.416 936 R N 0.664 121.094 120.500 -0.117 0.000 2.103 936 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 936 R C 2.176 178.329 176.300 -0.245 0.000 1.132 936 R CA 1.577 57.466 56.100 -0.351 0.000 0.925 936 R CB -0.763 29.073 30.300 -0.773 0.000 0.842 936 R HN 0.251 nan 8.270 nan 0.000 0.430 937 L N -0.245 121.011 121.223 0.056 0.000 2.149 937 L HA -0.382 3.958 4.340 -0.000 0.000 0.223 937 L C 2.495 179.451 176.870 0.143 0.000 1.089 937 L CA 2.252 57.261 54.840 0.282 0.000 0.800 937 L CB -0.757 41.438 42.059 0.227 0.000 0.897 937 L HN 0.455 nan 8.230 nan 0.000 0.443 938 T N -1.345 113.225 114.554 0.027 0.000 2.867 938 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 938 T C 1.841 176.515 174.700 -0.042 0.000 1.057 938 T CA 1.050 63.151 62.100 0.001 0.000 1.136 938 T CB 0.072 68.936 68.868 -0.007 0.000 0.874 938 T HN 0.199 nan 8.240 nan 0.000 0.466 939 K N 0.107 120.432 120.400 -0.126 0.000 2.186 939 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 939 K C 1.859 178.361 176.600 -0.164 0.000 1.052 939 K CA 0.658 56.848 56.287 -0.162 0.000 0.965 939 K CB -0.622 31.741 32.500 -0.227 0.000 0.746 939 K HN 0.446 nan 8.250 nan 0.000 0.457 940 Y N 1.547 121.770 120.300 -0.127 0.000 2.173 940 Y HA -0.196 4.354 4.550 -0.000 0.000 0.282 940 Y C -0.644 175.129 175.900 -0.211 0.000 1.192 940 Y CA 1.710 59.674 58.100 -0.226 0.000 1.176 940 Y CB -1.740 36.475 38.460 -0.408 0.000 0.969 940 Y HN 0.217 nan 8.280 nan 0.000 0.519 941 P HA 0.002 nan 4.420 nan 0.000 0.251 941 P C 1.238 178.515 177.300 -0.039 0.000 1.223 941 P CA 0.985 64.061 63.100 -0.040 0.000 0.796 941 P CB 0.001 31.684 31.700 -0.029 0.000 1.068 942 L N -1.024 120.174 121.223 -0.042 0.000 2.007 942 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 942 L C 2.398 179.248 176.870 -0.033 0.000 1.073 942 L CA 1.239 56.055 54.840 -0.040 0.000 0.744 942 L CB -1.374 40.657 42.059 -0.046 0.000 0.898 942 L HN -0.094 nan 8.230 nan 0.000 0.435 943 L N -0.107 121.092 121.223 -0.041 0.000 2.013 943 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 943 L C 2.581 179.450 176.870 -0.001 0.000 1.073 943 L CA 1.451 56.276 54.840 -0.025 0.000 0.753 943 L CB -0.710 41.330 42.059 -0.032 0.000 0.890 943 L HN 0.217 nan 8.230 nan 0.000 0.432 944 L N -0.797 120.424 121.223 -0.003 0.000 2.046 944 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 944 L C 2.254 179.119 176.870 -0.009 0.000 1.077 944 L CA 1.447 56.289 54.840 0.005 0.000 0.747 944 L CB -0.970 41.081 42.059 -0.013 0.000 0.896 944 L HN 0.392 nan 8.230 nan 0.000 0.432 945 D N 0.011 120.396 120.400 -0.025 0.000 2.144 945 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 945 D C 1.898 178.166 176.300 -0.053 0.000 0.984 945 D CA 0.903 54.879 54.000 -0.040 0.000 0.834 945 D CB -0.037 40.735 40.800 -0.046 0.000 0.955 945 D HN 0.391 nan 8.370 nan 0.000 0.465 946 N N 1.131 119.816 118.700 -0.025 0.000 2.051 946 N HA -0.075 4.665 4.740 -0.000 0.000 0.192 946 N C 2.278 177.827 175.510 0.065 0.000 1.049 946 N CA 0.413 53.464 53.050 0.002 0.000 0.845 946 N CB -0.404 38.136 38.487 0.089 0.000 1.031 946 N HN 0.206 nan 8.380 nan 0.000 0.425 947 I N 1.712 122.332 120.570 0.085 0.000 2.188 947 I HA -0.375 3.795 4.170 -0.000 0.000 0.246 947 I C 2.305 178.452 176.117 0.050 0.000 1.033 947 I CA 1.771 63.115 61.300 0.073 0.000 1.307 947 I CB -0.476 37.539 38.000 0.026 0.000 1.005 947 I HN 0.142 nan 8.210 nan 0.000 0.421 948 A N 0.327 123.148 122.820 0.001 0.000 1.929 948 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 948 A C 2.404 179.950 177.584 -0.063 0.000 1.176 948 A CA 1.691 53.717 52.037 -0.019 0.000 0.628 948 A CB -0.475 18.509 19.000 -0.028 0.000 0.816 948 A HN 0.477 nan 8.150 nan 0.000 0.444 949 K N -1.449 118.861 120.400 -0.150 0.000 2.148 949 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 949 K C 0.617 176.973 176.600 -0.407 0.000 1.050 949 K CA 1.433 57.527 56.287 -0.321 0.000 0.942 949 K CB -0.251 31.946 32.500 -0.504 0.000 0.724 949 K HN 0.521 nan 8.250 nan 0.000 0.446 950 Y N 0.753 121.033 120.300 -0.033 0.000 2.571 950 Y HA 0.194 4.744 4.550 -0.000 0.000 0.275 950 Y C -0.010 175.870 175.900 -0.035 0.000 1.179 950 Y CA -0.091 57.986 58.100 -0.039 0.000 1.242 950 Y CB 0.694 39.125 38.460 -0.050 0.000 1.126 950 Y HN -0.181 nan 8.280 nan 0.000 0.524 951 T N 1.328 115.931 114.554 0.082 0.000 2.727 951 T HA 0.081 4.431 4.350 -0.000 0.000 0.298 951 T C 0.902 175.633 174.700 0.050 0.000 0.942 951 T CA -0.281 61.865 62.100 0.077 0.000 0.997 951 T CB 0.564 69.474 68.868 0.070 0.000 0.917 951 T HN 0.454 nan 8.240 nan 0.000 0.487 952 E N 2.344 122.556 120.200 0.019 0.000 2.152 952 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 952 E C -0.079 176.467 176.600 -0.090 0.000 0.983 952 E CA 0.487 56.830 56.400 -0.095 0.000 0.818 952 E CB 0.162 29.720 29.700 -0.238 0.000 0.758 952 E HN 0.640 nan 8.360 nan 0.000 0.467 953 W N 2.320 123.619 121.300 -0.002 0.000 2.437 953 W HA 0.125 4.785 4.660 -0.000 0.000 0.312 953 W C -1.526 174.987 176.519 -0.009 0.000 1.242 953 W CA -2.411 54.931 57.345 -0.005 0.000 1.340 953 W CB 0.656 30.113 29.460 -0.006 0.000 1.327 953 W HN -0.018 nan 8.180 nan 0.000 0.476 954 P HA -0.329 nan 4.420 nan 0.000 0.214 954 P C 1.488 178.866 177.300 0.130 0.000 1.099 954 P CA 2.696 65.887 63.100 0.152 0.000 0.976 954 P CB -0.314 31.475 31.700 0.148 0.000 0.774 955 T N -0.892 113.740 114.554 0.130 0.000 2.915 955 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 955 T C 1.730 176.450 174.700 0.033 0.000 1.071 955 T CA 1.084 63.216 62.100 0.053 0.000 1.132 955 T CB -0.365 68.510 68.868 0.012 0.000 0.878 955 T HN 0.246 nan 8.240 nan 0.000 0.479 956 E N 0.555 120.787 120.200 0.053 0.000 2.340 956 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 956 E C 2.305 178.936 176.600 0.052 0.000 0.996 956 E CA 0.101 56.520 56.400 0.031 0.000 0.869 956 E CB 0.113 29.820 29.700 0.012 0.000 0.835 956 E HN 0.340 nan 8.360 nan 0.000 0.493 957 R N 1.052 121.600 120.500 0.080 0.000 2.080 957 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 957 R C 2.081 178.397 176.300 0.028 0.000 1.137 957 R CA 1.893 58.024 56.100 0.051 0.000 0.943 957 R CB -0.066 30.261 30.300 0.046 0.000 0.846 957 R HN -0.077 nan 8.270 nan 0.000 0.431 958 E N 0.528 120.745 120.200 0.028 0.000 2.130 958 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 958 E C 1.726 178.335 176.600 0.015 0.000 0.998 958 E CA 1.684 58.094 56.400 0.016 0.000 0.806 958 E CB 0.078 29.788 29.700 0.016 0.000 0.738 958 E HN 0.279 nan 8.360 nan 0.000 0.459 959 K N -0.696 119.713 120.400 0.015 0.000 2.044 959 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 959 K C 1.962 178.575 176.600 0.023 0.000 1.049 959 K CA 1.628 57.923 56.287 0.014 0.000 0.927 959 K CB -0.160 32.336 32.500 -0.007 0.000 0.713 959 K HN 0.045 nan 8.250 nan 0.000 0.443 960 V N 1.321 121.246 119.914 0.017 0.000 2.626 960 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 960 V C 1.991 178.096 176.094 0.017 0.000 1.067 960 V CA 1.488 63.801 62.300 0.021 0.000 1.081 960 V CB -0.375 31.458 31.823 0.017 0.000 0.686 960 V HN 0.256 nan 8.190 nan 0.000 0.468 961 K N 0.400 120.804 120.400 0.006 0.000 2.103 961 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 961 K C 2.283 178.873 176.600 -0.017 0.000 1.052 961 K CA 1.288 57.569 56.287 -0.011 0.000 0.945 961 K CB -0.075 32.415 32.500 -0.017 0.000 0.722 961 K HN 0.454 nan 8.250 nan 0.000 0.443 962 K N 1.010 121.413 120.400 0.004 0.000 2.007 962 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 962 K C 2.137 178.783 176.600 0.075 0.000 1.047 962 K CA 1.167 57.456 56.287 0.003 0.000 0.937 962 K CB -0.179 32.358 32.500 0.062 0.000 0.718 962 K HN 0.020 nan 8.250 nan 0.000 0.438 963 A N 1.363 124.271 122.820 0.146 0.000 1.971 963 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 963 A C 2.347 179.993 177.584 0.103 0.000 1.182 963 A CA 2.301 54.459 52.037 0.202 0.000 0.649 963 A CB -1.002 18.104 19.000 0.177 0.000 0.818 963 A HN 0.586 nan 8.150 nan 0.000 0.458 964 A N -0.239 122.592 122.820 0.018 0.000 1.858 964 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 964 A C 1.890 179.445 177.584 -0.049 0.000 1.190 964 A CA 2.121 54.137 52.037 -0.034 0.000 0.617 964 A CB -0.820 18.158 19.000 -0.036 0.000 0.827 964 A HN 0.514 nan 8.150 nan 0.000 0.443 965 D N -0.820 119.524 120.400 -0.092 0.000 2.170 965 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 965 D C 1.688 177.868 176.300 -0.200 0.000 1.004 965 D CA 1.744 55.639 54.000 -0.176 0.000 0.860 965 D CB -0.358 40.271 40.800 -0.286 0.000 0.931 965 D HN 0.626 nan 8.370 nan 0.000 0.448 966 H N -1.159 117.921 119.070 0.016 0.000 2.495 966 H HA 0.045 4.601 4.556 -0.000 0.000 0.287 966 H C 2.190 177.534 175.328 0.027 0.000 1.033 966 H CA 0.953 57.019 56.048 0.031 0.000 1.307 966 H CB -0.311 29.485 29.762 0.057 0.000 1.401 966 H HN 0.331 nan 8.280 nan 0.000 0.555 967 C N 0.525 119.865 119.300 0.067 0.000 2.500 967 C HA 0.082 4.542 4.460 -0.000 0.000 0.273 967 C C 2.549 177.557 174.990 0.030 0.000 1.428 967 C CA -0.169 58.852 59.018 0.004 0.000 1.766 967 C CB -0.369 27.284 27.740 -0.146 0.000 1.817 967 C HN 0.464 nan 8.230 nan 0.000 0.543 968 R N 0.911 121.420 120.500 0.016 0.000 2.057 968 R HA -0.029 4.311 4.340 -0.000 0.000 0.224 968 R C 2.231 178.557 176.300 0.043 0.000 1.136 968 R CA 0.952 57.062 56.100 0.016 0.000 0.968 968 R CB -0.555 29.737 30.300 -0.013 0.000 0.863 968 R HN 0.623 nan 8.270 nan 0.000 0.433 969 Q N 0.761 120.587 119.800 0.043 0.000 2.096 969 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 969 Q C 2.241 178.307 176.000 0.108 0.000 0.982 969 Q CA 1.446 57.291 55.803 0.071 0.000 0.850 969 Q CB -0.311 28.472 28.738 0.075 0.000 0.901 969 Q HN 0.322 nan 8.270 nan 0.000 0.422 970 I N 0.574 121.206 120.570 0.103 0.000 2.185 970 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 970 I C 2.189 178.410 176.117 0.174 0.000 1.088 970 I CA 1.295 62.668 61.300 0.121 0.000 1.347 970 I CB -0.334 37.735 38.000 0.116 0.000 1.041 970 I HN 0.222 nan 8.210 nan 0.000 0.415 971 L N 0.250 121.550 121.223 0.128 0.000 2.027 971 L HA -0.193 4.146 4.340 -0.000 0.000 0.206 971 L C 2.419 179.352 176.870 0.105 0.000 1.074 971 L CA 1.305 56.211 54.840 0.111 0.000 0.745 971 L CB -0.674 41.427 42.059 0.071 0.000 0.898 971 L HN 0.317 nan 8.230 nan 0.000 0.433 972 N N -0.159 118.600 118.700 0.099 0.000 2.069 972 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 972 N C 1.841 177.405 175.510 0.089 0.000 1.031 972 N CA 1.574 54.669 53.050 0.074 0.000 0.852 972 N CB -0.485 38.043 38.487 0.069 0.000 1.018 972 N HN 0.185 nan 8.380 nan 0.000 0.423 973 F N 2.556 122.503 119.950 -0.005 0.000 2.043 973 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 973 F C 2.317 178.103 175.800 -0.022 0.000 1.118 973 F CA 1.361 59.347 58.000 -0.022 0.000 1.202 973 F CB -0.508 38.468 39.000 -0.041 0.000 0.965 973 F HN -0.228 nan 8.300 nan 0.000 0.482 974 V N 0.680 120.673 119.914 0.132 0.000 2.490 974 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 974 V C 2.090 178.155 176.094 -0.050 0.000 1.061 974 V CA 2.039 64.358 62.300 0.031 0.000 1.064 974 V CB -1.349 30.549 31.823 0.125 0.000 0.670 974 V HN 0.523 nan 8.190 nan 0.000 0.461 975 N N 0.808 119.493 118.700 -0.026 0.000 2.084 975 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 975 N C 1.878 177.335 175.510 -0.088 0.000 1.030 975 N CA 1.960 54.985 53.050 -0.042 0.000 0.849 975 N CB -0.263 38.215 38.487 -0.016 0.000 1.012 975 N HN 0.467 nan 8.380 nan 0.000 0.423 976 Q N -0.040 119.683 119.800 -0.128 0.000 2.172 976 Q HA 0.196 4.536 4.340 -0.000 0.000 0.200 976 Q C 1.877 177.749 176.000 -0.213 0.000 0.964 976 Q CA 1.459 57.172 55.803 -0.151 0.000 0.855 976 Q CB -0.590 28.063 28.738 -0.142 0.000 0.918 976 Q HN 0.447 nan 8.270 nan 0.000 0.444 977 A N -0.296 122.323 122.820 -0.336 0.000 1.927 977 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 977 A C 2.168 179.669 177.584 -0.138 0.000 1.185 977 A CA 1.987 53.851 52.037 -0.289 0.000 0.639 977 A CB -0.885 17.920 19.000 -0.325 0.000 0.820 977 A HN 0.292 nan 8.150 nan 0.000 0.451 978 V N -0.160 119.687 119.914 -0.113 0.000 2.871 978 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 978 V C 2.396 178.448 176.094 -0.070 0.000 1.082 978 V CA 1.976 64.226 62.300 -0.083 0.000 1.105 978 V CB -0.452 31.319 31.823 -0.087 0.000 0.713 978 V HN 0.700 nan 8.190 nan 0.000 0.473 979 K N 0.463 120.821 120.400 -0.071 0.000 2.067 979 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 979 K C 2.031 178.609 176.600 -0.037 0.000 1.048 979 K CA 1.264 57.519 56.287 -0.053 0.000 0.954 979 K CB 0.008 32.476 32.500 -0.053 0.000 0.737 979 K HN 0.497 nan 8.250 nan 0.000 0.444 980 E N 0.462 120.635 120.200 -0.045 0.000 2.038 980 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 980 E C 1.995 178.597 176.600 0.002 0.000 1.000 980 E CA 1.254 57.636 56.400 -0.031 0.000 0.803 980 E CB -0.173 29.496 29.700 -0.052 0.000 0.750 980 E HN 0.435 nan 8.360 nan 0.000 0.448 981 A N 1.575 124.410 122.820 0.026 0.000 2.024 981 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 981 A C 1.854 179.589 177.584 0.251 0.000 1.164 981 A CA 1.784 53.896 52.037 0.124 0.000 0.643 981 A CB -0.445 18.658 19.000 0.171 0.000 0.806 981 A HN 0.387 nan 8.150 nan 0.000 0.451 982 E N -1.388 118.896 120.200 0.139 0.000 2.340 982 E HA -0.007 4.343 4.350 -0.000 0.000 0.198 982 E C 1.309 177.938 176.600 0.049 0.000 0.961 982 E CA 0.267 56.760 56.400 0.155 0.000 0.905 982 E CB -0.291 29.384 29.700 -0.042 0.000 0.884 982 E HN 0.357 nan 8.360 nan 0.000 0.491 983 N N 2.005 120.705 118.700 0.001 0.000 2.149 983 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 983 N C 1.540 177.014 175.510 -0.060 0.000 1.019 983 N CA 1.190 54.213 53.050 -0.044 0.000 0.857 983 N CB -0.118 38.351 38.487 -0.030 0.000 0.997 983 N HN 0.189 nan 8.380 nan 0.000 0.426 984 K N 0.573 120.958 120.400 -0.025 0.000 1.991 984 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 984 K C 1.880 178.440 176.600 -0.067 0.000 1.049 984 K CA 1.424 57.685 56.287 -0.044 0.000 0.932 984 K CB -0.095 32.383 32.500 -0.037 0.000 0.717 984 K HN -0.017 nan 8.250 nan 0.000 0.441 985 Q N 0.591 120.376 119.800 -0.025 0.000 2.364 985 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 985 Q C 1.640 177.587 176.000 -0.088 0.000 0.977 985 Q CA 1.335 57.118 55.803 -0.033 0.000 0.885 985 Q CB 0.132 28.943 28.738 0.122 0.000 0.941 985 Q HN 0.254 nan 8.270 nan 0.000 0.464 986 R N -1.081 119.317 120.500 -0.170 0.000 2.100 986 R HA 0.083 4.423 4.340 -0.000 0.000 0.220 986 R C 2.092 177.997 176.300 -0.659 0.000 1.091 986 R CA 0.807 56.654 56.100 -0.422 0.000 0.986 986 R CB -0.074 29.952 30.300 -0.456 0.000 0.888 986 R HN 0.276 nan 8.270 nan 0.000 0.444 987 L N 0.890 121.875 121.223 -0.398 0.000 2.056 987 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 987 L C 2.108 178.893 176.870 -0.141 0.000 1.078 987 L CA 1.448 56.136 54.840 -0.254 0.000 0.749 987 L CB -0.344 41.649 42.059 -0.110 0.000 0.901 987 L HN 0.191 nan 8.230 nan 0.000 0.433 988 E N -0.120 120.010 120.200 -0.117 0.000 2.147 988 E HA -0.327 4.023 4.350 -0.000 0.000 0.199 988 E C 1.653 178.227 176.600 -0.044 0.000 1.005 988 E CA 1.958 58.317 56.400 -0.068 0.000 0.810 988 E CB -0.126 29.530 29.700 -0.073 0.000 0.736 988 E HN 0.545 nan 8.360 nan 0.000 0.460 989 D N -0.882 119.477 120.400 -0.067 0.000 2.149 989 D HA -0.144 4.496 4.640 -0.000 0.000 0.206 989 D C 1.613 177.990 176.300 0.127 0.000 0.967 989 D CA 0.760 54.768 54.000 0.013 0.000 0.848 989 D CB 0.031 40.843 40.800 0.020 0.000 0.998 989 D HN 0.083 nan 8.370 nan 0.000 0.474 990 Y N 0.557 120.848 120.300 -0.015 0.000 2.181 990 Y HA -0.075 4.475 4.550 -0.000 0.000 0.288 990 Y C 2.478 178.373 175.900 -0.008 0.000 1.146 990 Y CA 0.940 59.027 58.100 -0.022 0.000 1.164 990 Y CB -1.501 36.950 38.460 -0.015 0.000 0.982 990 Y HN 0.139 nan 8.280 nan 0.000 0.515 991 Q N 0.894 120.786 119.800 0.153 0.000 2.152 991 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 991 Q C 2.418 178.455 176.000 0.061 0.000 0.985 991 Q CA 1.920 57.774 55.803 0.085 0.000 0.863 991 Q CB -0.296 28.468 28.738 0.044 0.000 0.904 991 Q HN 0.324 nan 8.270 nan 0.000 0.422 992 R N 0.369 120.902 120.500 0.054 0.000 2.090 992 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 992 R C 0.587 176.910 176.300 0.039 0.000 1.110 992 R CA 1.217 57.339 56.100 0.036 0.000 0.973 992 R CB -0.004 30.311 30.300 0.026 0.000 0.869 992 R HN 0.336 nan 8.270 nan 0.000 0.440 993 R N 1.057 121.590 120.500 0.054 0.000 4.306 993 R HA 0.209 4.549 4.340 -0.000 0.000 0.266 993 R C -0.629 175.686 176.300 0.025 0.000 1.624 993 R CA -0.306 55.813 56.100 0.032 0.000 1.487 993 R CB -0.013 30.299 30.300 0.020 0.000 1.441 993 R HN -0.046 nan 8.270 nan 0.000 0.750 994 L N 0.314 121.557 121.223 0.032 0.000 2.331 994 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 994 L C -1.234 175.651 176.870 0.025 0.000 1.015 994 L CA -0.550 54.309 54.840 0.032 0.000 0.807 994 L CB 2.237 44.323 42.059 0.046 0.000 1.293 994 L HN 0.290 nan 8.230 nan 0.000 0.451 995 D N -1.070 119.347 120.400 0.028 0.000 2.970 995 D HA 0.453 5.093 4.640 -0.000 0.000 0.230 995 D C -0.450 175.870 176.300 0.034 0.000 1.276 995 D CA 0.153 54.169 54.000 0.027 0.000 0.910 995 D CB 1.671 42.485 40.800 0.024 0.000 1.590 995 D HN 0.629 nan 8.370 nan 0.000 0.551 996 T N -1.339 113.232 114.554 0.029 0.000 3.170 996 T HA 0.108 4.458 4.350 -0.000 0.000 0.288 996 T C 1.579 176.292 174.700 0.023 0.000 0.992 996 T CA 0.330 62.447 62.100 0.028 0.000 0.909 996 T CB 0.057 68.938 68.868 0.022 0.000 1.133 996 T HN 0.220 nan 8.240 nan 0.000 0.530 997 S N 2.617 118.330 115.700 0.022 0.000 2.359 997 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 997 S C 1.649 176.262 174.600 0.022 0.000 1.035 997 S CA 1.169 59.380 58.200 0.018 0.000 1.018 997 S CB -1.210 62.000 63.200 0.018 0.000 0.876 997 S HN 0.765 nan 8.310 nan 0.000 0.448 998 S N 1.890 117.609 115.700 0.031 0.000 4.175 998 S HA 0.504 4.974 4.470 -0.000 0.000 0.193 998 S C -0.524 174.101 174.600 0.042 0.000 1.373 998 S CA -0.696 57.528 58.200 0.039 0.000 0.908 998 S CB -0.643 62.590 63.200 0.054 0.000 1.547 998 S HN 0.359 nan 8.310 nan 0.000 0.440 999 L N 2.629 123.867 121.223 0.025 0.000 2.439 999 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 999 L C -0.320 176.544 176.870 -0.009 0.000 0.972 999 L CA -0.800 54.047 54.840 0.012 0.000 0.836 999 L CB 1.889 43.948 42.059 0.000 0.000 1.255 999 L HN 0.535 nan 8.230 nan 0.000 0.404 1000 K N 5.614 126.008 120.400 -0.010 0.000 2.083 1000 K HA 0.184 4.504 4.320 -0.000 0.000 0.246 1000 K C 0.837 177.418 176.600 -0.032 0.000 1.160 1000 K CA -0.293 55.993 56.287 -0.002 0.000 1.060 1000 K CB -0.135 32.391 32.500 0.042 0.000 1.417 1000 K HN 0.654 nan 8.250 nan 0.000 0.329 1001 L N 0.512 121.719 121.223 -0.027 0.000 2.166 1001 L HA -0.302 4.038 4.340 -0.000 0.000 0.228 1001 L C 1.471 178.328 176.870 -0.021 0.000 1.101 1001 L CA 1.523 56.346 54.840 -0.027 0.000 0.821 1001 L CB -0.774 41.278 42.059 -0.012 0.000 0.908 1001 L HN 0.633 nan 8.230 nan 0.000 0.447 1002 S N -1.127 114.573 115.700 -0.001 0.000 2.328 1002 S HA 0.321 4.791 4.470 -0.000 0.000 0.204 1002 S C 0.319 174.946 174.600 0.045 0.000 1.475 1002 S CA -0.586 57.624 58.200 0.017 0.000 1.148 1002 S CB 0.491 63.700 63.200 0.016 0.000 1.077 1002 S HN 0.309 nan 8.310 nan 0.000 0.479 1003 E N 2.061 122.305 120.200 0.074 0.000 3.269 1003 E HA 0.099 4.449 4.350 -0.000 0.000 0.272 1003 E C -1.037 175.716 176.600 0.254 0.000 1.191 1003 E CA 0.103 56.601 56.400 0.163 0.000 1.940 1003 E CB 0.567 30.405 29.700 0.230 0.000 2.232 1003 E HN 0.768 nan 8.360 nan 0.000 0.979 1004 Y N -0.273 120.041 120.300 0.022 0.000 2.363 1004 Y HA 0.526 5.076 4.550 -0.000 0.000 0.325 1004 Y C -2.557 173.359 175.900 0.027 0.000 0.984 1004 Y CA -2.514 55.603 58.100 0.028 0.000 1.248 1004 Y CB 1.371 39.855 38.460 0.040 0.000 1.116 1004 Y HN -0.111 nan 8.280 nan 0.000 0.470 1005 P HA -0.230 nan 4.420 nan 0.000 0.225 1005 P C 1.180 178.468 177.300 -0.020 0.000 1.141 1005 P CA 1.551 64.647 63.100 -0.007 0.000 0.774 1005 P CB 0.181 31.897 31.700 0.026 0.000 0.760 1006 N N -0.185 118.520 118.700 0.008 0.000 2.182 1006 N HA -0.169 4.571 4.740 -0.000 0.000 0.192 1006 N C 1.245 176.692 175.510 -0.105 0.000 1.007 1006 N CA 1.115 54.164 53.050 -0.002 0.000 0.873 1006 N CB -0.926 37.644 38.487 0.139 0.000 0.998 1006 N HN -0.003 nan 8.380 nan 0.000 0.436 1007 V N -0.050 119.731 119.914 -0.221 0.000 3.646 1007 V HA 0.100 4.220 4.120 -0.000 0.000 0.277 1007 V C 1.777 177.794 176.094 -0.128 0.000 1.274 1007 V CA 0.430 62.574 62.300 -0.260 0.000 1.164 1007 V CB -0.422 31.128 31.823 -0.455 0.000 0.926 1007 V HN 0.333 nan 8.190 nan 0.000 0.442 1008 E N 0.065 120.219 120.200 -0.078 0.000 2.051 1008 E HA -0.205 4.145 4.350 -0.000 0.000 0.189 1008 E C 2.057 178.638 176.600 -0.031 0.000 0.979 1008 E CA 0.925 57.298 56.400 -0.045 0.000 0.803 1008 E CB -0.014 29.668 29.700 -0.029 0.000 0.761 1008 E HN 0.689 nan 8.360 nan 0.000 0.451 1009 E N 0.239 120.423 120.200 -0.026 0.000 2.253 1009 E HA -0.243 4.107 4.350 -0.000 0.000 0.202 1009 E C 1.940 178.533 176.600 -0.012 0.000 1.014 1009 E CA 0.949 57.341 56.400 -0.013 0.000 0.823 1009 E CB 0.063 29.760 29.700 -0.005 0.000 0.736 1009 E HN 0.283 nan 8.360 nan 0.000 0.478 1010 L N -0.818 120.388 121.223 -0.029 0.000 2.221 1010 L HA 0.003 4.343 4.340 -0.000 0.000 0.202 1010 L C 2.639 179.502 176.870 -0.013 0.000 1.074 1010 L CA 0.371 55.199 54.840 -0.021 0.000 0.795 1010 L CB -0.077 41.952 42.059 -0.050 0.000 0.960 1010 L HN -0.024 nan 8.230 nan 0.000 0.458 1011 R N 0.051 120.535 120.500 -0.025 0.000 2.073 1011 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 1011 R C 1.606 177.905 176.300 -0.003 0.000 1.134 1011 R CA 1.563 57.655 56.100 -0.012 0.000 0.952 1011 R CB -0.184 30.105 30.300 -0.019 0.000 0.850 1011 R HN 0.320 nan 8.270 nan 0.000 0.433 1012 N N 0.860 119.557 118.700 -0.006 0.000 2.521 1012 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 1012 N C 0.121 175.635 175.510 0.006 0.000 1.146 1012 N CA 0.070 53.120 53.050 -0.000 0.000 0.893 1012 N CB -0.209 38.276 38.487 -0.003 0.000 0.975 1012 N HN 0.092 nan 8.380 nan 0.000 0.451 1013 L N 1.259 122.487 121.223 0.009 0.000 2.615 1013 L HA -0.024 4.316 4.340 -0.000 0.000 0.284 1013 L C -0.167 176.716 176.870 0.021 0.000 1.237 1013 L CA 0.683 55.533 54.840 0.017 0.000 0.905 1013 L CB 0.341 42.414 42.059 0.024 0.000 1.149 1013 L HN -0.031 nan 8.230 nan 0.000 0.499 1014 D N 4.328 124.741 120.400 0.021 0.000 2.358 1014 D HA 0.172 4.812 4.640 -0.000 0.000 0.253 1014 D C 0.882 177.196 176.300 0.024 0.000 1.288 1014 D CA -0.392 53.620 54.000 0.020 0.000 0.950 1014 D CB 0.748 41.555 40.800 0.011 0.000 1.197 1014 D HN 0.651 nan 8.370 nan 0.000 0.550 1015 L N 1.720 122.964 121.223 0.036 0.000 2.081 1015 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 1015 L C 1.997 178.882 176.870 0.024 0.000 1.080 1015 L CA 1.144 56.011 54.840 0.044 0.000 0.754 1015 L CB -0.312 41.790 42.059 0.072 0.000 0.893 1015 L HN 0.406 nan 8.230 nan 0.000 0.433 1016 T N -0.788 113.774 114.554 0.012 0.000 3.155 1016 T HA -0.075 4.275 4.350 -0.000 0.000 0.264 1016 T C 1.576 176.272 174.700 -0.007 0.000 1.160 1016 T CA 0.771 62.867 62.100 -0.006 0.000 1.075 1016 T CB -0.053 68.809 68.868 -0.010 0.000 0.921 1016 T HN 0.168 nan 8.240 nan 0.000 0.533 1017 K N 0.814 121.215 120.400 0.001 0.000 2.374 1017 K HA 0.198 4.518 4.320 -0.000 0.000 0.196 1017 K C 0.609 177.210 176.600 0.002 0.000 1.023 1017 K CA 0.089 56.375 56.287 -0.000 0.000 1.103 1017 K CB 0.651 33.153 32.500 0.002 0.000 0.848 1017 K HN 0.386 nan 8.250 nan 0.000 0.528 1018 R N 0.699 121.202 120.500 0.005 0.000 2.787 1018 R HA 0.377 4.717 4.340 -0.000 0.000 0.271 1018 R C -0.366 175.936 176.300 0.004 0.000 0.993 1018 R CA -0.809 55.296 56.100 0.008 0.000 0.993 1018 R CB 1.385 31.695 30.300 0.018 0.000 1.155 1018 R HN -0.213 nan 8.270 nan 0.000 0.486 1019 K N 1.623 122.026 120.400 0.006 0.000 2.201 1019 K HA 0.226 4.546 4.320 -0.000 0.000 0.278 1019 K C -0.342 176.266 176.600 0.013 0.000 1.027 1019 K CA -0.204 56.085 56.287 0.003 0.000 0.909 1019 K CB 1.274 33.774 32.500 0.001 0.000 1.062 1019 K HN 0.418 nan 8.250 nan 0.000 0.465 1020 M N 6.063 125.669 119.600 0.011 0.000 2.084 1020 M HA 0.148 4.628 4.480 -0.000 0.000 0.351 1020 M C -0.071 176.245 176.300 0.027 0.000 1.240 1020 M CA -0.478 54.840 55.300 0.030 0.000 1.083 1020 M CB 0.573 33.191 32.600 0.030 0.000 1.593 1020 M HN 0.622 nan 8.290 nan 0.000 0.463 1021 I N 2.915 123.511 120.570 0.042 0.000 2.480 1021 I HA 0.076 4.246 4.170 -0.000 0.000 0.251 1021 I C 0.760 176.919 176.117 0.070 0.000 1.124 1021 I CA 1.032 62.355 61.300 0.037 0.000 1.444 1021 I CB -1.428 36.590 38.000 0.031 0.000 1.098 1021 I HN 0.777 nan 8.210 nan 0.000 0.428 1022 H N 0.193 119.221 119.070 -0.071 0.000 3.060 1022 H HA 0.453 5.009 4.556 -0.000 0.000 0.330 1022 H C -1.091 174.176 175.328 -0.103 0.000 1.305 1022 H CA -0.857 55.090 56.048 -0.170 0.000 1.209 1022 H CB 1.401 30.944 29.762 -0.364 0.000 1.913 1022 H HN 0.188 nan 8.280 nan 0.000 0.534 1023 E N 2.234 121.885 120.200 -0.916 0.000 2.435 1023 E HA 0.698 5.048 4.350 -0.000 0.000 0.272 1023 E C -0.695 175.651 176.600 -0.423 0.000 1.031 1023 E CA -0.982 55.220 56.400 -0.331 0.000 0.872 1023 E CB 2.381 32.100 29.700 0.031 0.000 1.588 1023 E HN 1.052 nan 8.360 nan 0.000 0.460 1024 G N -0.294 108.282 108.800 -0.373 0.000 2.347 1024 G HA2 0.191 4.151 3.960 -0.000 0.000 0.341 1024 G HA3 0.191 4.151 3.960 -0.000 0.000 0.341 1024 G C -3.229 171.280 174.900 -0.651 0.000 1.287 1024 G CA -0.582 44.228 45.100 -0.484 0.000 0.984 1024 G HN 0.498 nan 8.290 nan 0.000 0.526 1025 P HA 0.678 nan 4.420 nan 0.000 0.292 1025 P C -0.406 176.831 177.300 -0.105 0.000 1.287 1025 P CA -0.390 62.595 63.100 -0.192 0.000 0.800 1025 P CB 1.314 33.028 31.700 0.023 0.000 0.945 1026 L N 2.345 123.473 121.223 -0.157 0.000 2.309 1026 L HA 0.602 4.942 4.340 -0.000 0.000 0.261 1026 L C -0.465 176.368 176.870 -0.062 0.000 1.021 1026 L CA -1.389 53.347 54.840 -0.174 0.000 0.823 1026 L CB 2.530 44.346 42.059 -0.404 0.000 1.366 1026 L HN 0.011 nan 8.230 nan 0.000 0.423 1027 V N 1.052 120.946 119.914 -0.033 0.000 2.350 1027 V HA 0.257 4.377 4.120 -0.000 0.000 0.285 1027 V C -1.119 175.048 176.094 0.123 0.000 1.014 1027 V CA -0.328 62.002 62.300 0.049 0.000 0.831 1027 V CB 1.671 33.515 31.823 0.034 0.000 1.000 1027 V HN 0.567 nan 8.190 nan 0.000 0.433 1028 W N 6.990 128.272 121.300 -0.031 0.000 2.416 1028 W HA 0.379 5.039 4.660 -0.000 0.000 0.318 1028 W C 0.240 176.765 176.519 0.010 0.000 1.150 1028 W CA -1.501 55.846 57.345 0.002 0.000 1.392 1028 W CB 0.479 29.964 29.460 0.041 0.000 1.311 1028 W HN 0.463 nan 8.180 nan 0.000 0.436 1029 K N 4.781 125.385 120.400 0.340 0.000 2.262 1029 K HA 0.156 4.476 4.320 -0.000 0.000 0.288 1029 K C 0.570 177.276 176.600 0.176 0.000 1.090 1029 K CA -0.206 56.170 56.287 0.148 0.000 0.918 1029 K CB 1.419 33.986 32.500 0.111 0.000 1.139 1029 K HN 0.347 nan 8.250 nan 0.000 0.462 1030 V N 2.892 122.664 119.914 -0.237 0.000 3.621 1030 V HA 0.104 4.224 4.120 -0.000 0.000 0.285 1030 V C -0.603 175.390 176.094 -0.168 0.000 1.346 1030 V CA 0.375 62.506 62.300 -0.281 0.000 1.104 1030 V CB -0.228 30.997 31.823 -0.998 0.000 0.913 1030 V HN 0.771 nan 8.190 nan 0.000 0.432 1031 N N -0.924 117.694 118.700 -0.137 0.000 3.043 1031 N HA 0.277 5.017 4.740 -0.000 0.000 0.243 1031 N C 0.168 175.641 175.510 -0.062 0.000 1.347 1031 N CA -0.576 52.417 53.050 -0.095 0.000 0.896 1031 N CB 1.264 39.666 38.487 -0.142 0.000 1.501 1031 N HN -0.145 nan 8.380 nan 0.000 0.504 1032 R N -0.092 120.385 120.500 -0.039 0.000 2.276 1032 R HA 0.122 4.462 4.340 -0.000 0.000 0.203 1032 R C -0.480 175.796 176.300 -0.040 0.000 1.017 1032 R CA 0.995 57.079 56.100 -0.027 0.000 1.010 1032 R CB 0.269 30.561 30.300 -0.012 0.000 0.900 1032 R HN 0.443 nan 8.270 nan 0.000 0.469 1033 D N -0.677 119.688 120.400 -0.058 0.000 2.501 1033 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 1033 D C -0.738 175.509 176.300 -0.089 0.000 1.202 1033 D CA 0.260 54.222 54.000 -0.064 0.000 0.829 1033 D CB 0.806 41.572 40.800 -0.057 0.000 1.023 1033 D HN -0.092 nan 8.370 nan 0.000 0.499 1034 K N 0.598 120.929 120.400 -0.115 0.000 2.834 1034 K HA 0.200 4.520 4.320 -0.000 0.000 0.259 1034 K C -1.078 175.403 176.600 -0.198 0.000 1.158 1034 K CA -0.326 55.864 56.287 -0.162 0.000 1.068 1034 K CB 1.492 33.871 32.500 -0.202 0.000 1.324 1034 K HN -0.007 nan 8.250 nan 0.000 0.552 1035 T N -0.038 114.431 114.554 -0.142 0.000 2.840 1035 T HA 0.609 4.959 4.350 -0.000 0.000 0.287 1035 T C -0.143 174.517 174.700 -0.067 0.000 0.991 1035 T CA -0.660 61.371 62.100 -0.114 0.000 0.964 1035 T CB 0.542 69.382 68.868 -0.046 0.000 0.954 1035 T HN 0.129 nan 8.240 nan 0.000 0.438 1036 I N 3.371 123.919 120.570 -0.038 0.000 2.783 1036 I HA 0.480 4.650 4.170 -0.000 0.000 0.312 1036 I C -0.166 176.017 176.117 0.111 0.000 0.988 1036 I CA -0.646 60.678 61.300 0.041 0.000 1.182 1036 I CB 1.300 39.360 38.000 0.101 0.000 1.368 1036 I HN 0.741 nan 8.210 nan 0.000 0.511 1037 D N 4.728 125.183 120.400 0.092 0.000 2.453 1037 D HA 0.439 5.079 4.640 -0.000 0.000 0.238 1037 D C -0.637 175.724 176.300 0.102 0.000 1.088 1037 D CA -0.413 53.640 54.000 0.089 0.000 0.854 1037 D CB 0.634 41.468 40.800 0.057 0.000 1.076 1037 D HN 0.284 nan 8.370 nan 0.000 0.533 1038 L N 0.973 122.259 121.223 0.105 0.000 2.488 1038 L HA 0.433 4.773 4.340 -0.000 0.000 0.249 1038 L C -0.390 176.537 176.870 0.094 0.000 1.151 1038 L CA -1.198 53.703 54.840 0.101 0.000 0.806 1038 L CB 0.461 42.554 42.059 0.057 0.000 1.261 1038 L HN 0.385 nan 8.230 nan 0.000 0.484 1039 Y N -0.392 119.901 120.300 -0.012 0.000 2.331 1039 Y HA 0.386 4.936 4.550 -0.000 0.000 0.334 1039 Y C -0.599 175.286 175.900 -0.025 0.000 0.960 1039 Y CA -0.535 57.548 58.100 -0.028 0.000 1.130 1039 Y CB 1.722 40.140 38.460 -0.070 0.000 1.164 1039 Y HN 0.400 nan 8.280 nan 0.000 0.458 1040 T N 7.563 121.928 114.554 -0.315 0.000 2.779 1040 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 1040 T C -0.794 173.935 174.700 0.050 0.000 0.987 1040 T CA -0.621 61.398 62.100 -0.136 0.000 0.966 1040 T CB 0.474 69.122 68.868 -0.367 0.000 0.933 1040 T HN 0.498 nan 8.240 nan 0.000 0.442 1041 L N 4.214 125.527 121.223 0.150 0.000 2.280 1041 L HA 0.546 4.886 4.340 -0.000 0.000 0.287 1041 L C -0.329 176.664 176.870 0.205 0.000 1.023 1041 L CA -1.157 53.815 54.840 0.220 0.000 0.819 1041 L CB 1.016 43.213 42.059 0.231 0.000 1.212 1041 L HN 0.419 nan 8.230 nan 0.000 0.420 1042 L N 5.362 126.758 121.223 0.289 0.000 2.282 1042 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 1042 L C -0.396 176.557 176.870 0.139 0.000 1.075 1042 L CA 0.277 55.257 54.840 0.232 0.000 0.839 1042 L CB 0.242 42.501 42.059 0.333 0.000 1.219 1042 L HN 0.476 nan 8.230 nan 0.000 0.434 1043 L N 3.124 124.404 121.223 0.095 0.000 2.642 1043 L HA 0.350 4.690 4.340 -0.000 0.000 0.229 1043 L C 1.543 178.439 176.870 0.044 0.000 1.179 1043 L CA -0.482 54.397 54.840 0.065 0.000 0.834 1043 L CB 0.248 42.340 42.059 0.055 0.000 1.515 1043 L HN 0.597 nan 8.230 nan 0.000 0.512 1044 E N 0.235 120.453 120.200 0.030 0.000 2.085 1044 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 1044 E C 0.589 177.198 176.600 0.015 0.000 0.994 1044 E CA 1.893 58.305 56.400 0.020 0.000 0.801 1044 E CB 0.145 29.853 29.700 0.014 0.000 0.743 1044 E HN 0.730 nan 8.360 nan 0.000 0.453 1045 D N -1.214 119.195 120.400 0.014 0.000 2.449 1045 D HA 0.056 4.696 4.640 -0.000 0.000 0.255 1045 D C 0.880 177.180 176.300 -0.000 0.000 1.121 1045 D CA -0.015 53.988 54.000 0.006 0.000 0.830 1045 D CB 0.110 40.914 40.800 0.006 0.000 1.280 1045 D HN 0.194 nan 8.370 nan 0.000 0.522 1046 I N -1.647 118.924 120.570 0.003 0.000 3.170 1046 I HA 0.586 4.756 4.170 -0.000 0.000 0.312 1046 I C -0.966 175.145 176.117 -0.009 0.000 1.085 1046 I CA -1.521 59.772 61.300 -0.011 0.000 0.999 1046 I CB 2.533 40.530 38.000 -0.005 0.000 1.233 1046 I HN -0.212 nan 8.210 nan 0.000 0.467 1047 L N 2.442 123.638 121.223 -0.046 0.000 2.346 1047 L HA 0.726 5.066 4.340 -0.000 0.000 0.276 1047 L C -1.129 175.706 176.870 -0.058 0.000 1.006 1047 L CA -0.782 54.030 54.840 -0.047 0.000 0.817 1047 L CB 1.957 43.941 42.059 -0.125 0.000 1.272 1047 L HN 0.442 nan 8.230 nan 0.000 0.421 1048 V N 5.349 125.254 119.914 -0.014 0.000 2.680 1048 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 1048 V C -0.351 175.734 176.094 -0.015 0.000 1.052 1048 V CA -0.544 61.756 62.300 -0.000 0.000 0.908 1048 V CB 2.050 33.907 31.823 0.058 0.000 1.001 1048 V HN 0.541 nan 8.190 nan 0.000 0.431 1049 L N 5.866 127.083 121.223 -0.010 0.000 2.408 1049 L HA 0.499 4.839 4.340 -0.000 0.000 0.257 1049 L C -0.404 176.514 176.870 0.079 0.000 1.053 1049 L CA -0.101 54.734 54.840 -0.008 0.000 0.922 1049 L CB 0.765 42.788 42.059 -0.060 0.000 1.261 1049 L HN 0.414 nan 8.230 nan 0.000 0.458 1050 L N 1.594 122.874 121.223 0.096 0.000 2.469 1050 L HA 0.419 4.759 4.340 -0.000 0.000 0.253 1050 L C 0.167 177.108 176.870 0.119 0.000 1.143 1050 L CA -0.606 54.298 54.840 0.107 0.000 0.804 1050 L CB 0.667 42.784 42.059 0.096 0.000 1.214 1050 L HN 0.513 nan 8.230 nan 0.000 0.476 1051 Q N 0.842 120.701 119.800 0.097 0.000 2.327 1051 Q HA 0.302 4.642 4.340 -0.000 0.000 0.270 1051 Q C -1.103 174.924 176.000 0.046 0.000 1.022 1051 Q CA -0.772 55.084 55.803 0.087 0.000 0.773 1051 Q CB 2.543 31.333 28.738 0.085 0.000 1.251 1051 Q HN 0.309 nan 8.270 nan 0.000 0.457 1052 K N 1.908 122.331 120.400 0.039 0.000 2.485 1052 K HA 0.011 4.331 4.320 -0.000 0.000 0.277 1052 K C -0.404 176.196 176.600 -0.001 0.000 0.990 1052 K CA 0.798 57.078 56.287 -0.012 0.000 0.994 1052 K CB 0.504 32.991 32.500 -0.021 0.000 0.906 1052 K HN 0.438 nan 8.250 nan 0.000 0.488 1053 Q N 3.478 123.270 119.800 -0.014 0.000 3.088 1053 Q HA 0.000 4.340 4.340 -0.000 0.000 0.205 1053 Q C -1.246 174.748 176.000 -0.009 0.000 0.782 1053 Q CA -0.115 55.686 55.803 -0.004 0.000 0.897 1053 Q CB 0.482 29.224 28.738 0.007 0.000 1.495 1053 Q HN 0.976 nan 8.270 nan 0.000 0.459 1054 D N 1.117 121.510 120.400 -0.011 0.000 3.935 1054 D HA -0.254 4.386 4.640 -0.000 0.000 0.149 1054 D C -0.088 176.198 176.300 -0.024 0.000 0.932 1054 D CA 2.192 56.185 54.000 -0.013 0.000 1.083 1054 D CB -0.328 40.467 40.800 -0.007 0.000 0.549 1054 D HN 0.581 nan 8.370 nan 0.000 0.577 1055 D N 0.299 120.686 120.400 -0.023 0.000 2.197 1055 D HA 0.078 4.718 4.640 -0.000 0.000 0.212 1055 D C 0.481 176.755 176.300 -0.043 0.000 0.963 1055 D CA 0.605 54.584 54.000 -0.035 0.000 0.864 1055 D CB -0.074 40.713 40.800 -0.022 0.000 1.009 1055 D HN 0.184 nan 8.370 nan 0.000 0.479 1056 R N 0.903 121.389 120.500 -0.024 0.000 2.504 1056 R HA 0.138 4.478 4.340 -0.000 0.000 0.291 1056 R C -0.208 176.075 176.300 -0.028 0.000 0.974 1056 R CA 0.172 56.261 56.100 -0.018 0.000 1.077 1056 R CB 0.149 30.447 30.300 -0.002 0.000 0.926 1056 R HN 0.128 nan 8.270 nan 0.000 0.407 1057 L N 3.733 124.933 121.223 -0.038 0.000 2.290 1057 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 1057 L C -0.298 176.577 176.870 0.010 0.000 1.078 1057 L CA -0.814 54.005 54.840 -0.036 0.000 0.815 1057 L CB 1.159 43.172 42.059 -0.077 0.000 1.162 1057 L HN 0.311 nan 8.230 nan 0.000 0.435 1058 V N 4.440 124.372 119.914 0.031 0.000 2.394 1058 V HA 0.277 4.397 4.120 -0.000 0.000 0.282 1058 V C -0.066 176.073 176.094 0.074 0.000 1.031 1058 V CA -0.565 61.765 62.300 0.050 0.000 0.881 1058 V CB 1.854 33.708 31.823 0.053 0.000 0.982 1058 V HN 0.427 nan 8.190 nan 0.000 0.451 1059 L N 6.427 127.693 121.223 0.073 0.000 2.255 1059 L HA 0.643 4.982 4.340 -0.000 0.000 0.289 1059 L C -0.049 176.881 176.870 0.102 0.000 1.046 1059 L CA 0.623 55.517 54.840 0.089 0.000 0.816 1059 L CB 0.296 42.398 42.059 0.072 0.000 1.197 1059 L HN 0.770 nan 8.230 nan 0.000 0.427 1060 R N 3.046 123.630 120.500 0.140 0.000 2.766 1060 R HA 0.800 5.140 4.340 -0.000 0.000 0.270 1060 R C -1.695 174.738 176.300 0.221 0.000 1.035 1060 R CA -0.503 55.692 56.100 0.158 0.000 0.911 1060 R CB 1.698 32.088 30.300 0.150 0.000 1.243 1060 R HN 0.678 nan 8.270 nan 0.000 0.460 1061 C N 0.220 119.658 119.300 0.231 0.000 3.220 1061 C HA 0.495 4.955 4.460 -0.000 0.000 0.352 1061 C C -0.686 174.423 174.990 0.197 0.000 1.031 1061 C CA -1.121 58.067 59.018 0.283 0.000 1.338 1061 C CB -0.751 27.193 27.740 0.341 0.000 1.763 1061 C HN 0.908 nan 8.230 nan 0.000 0.548 1062 H N 0.824 119.956 119.070 0.102 0.000 2.495 1062 H HA 0.687 5.243 4.556 -0.000 0.000 0.350 1062 H C 0.892 176.152 175.328 -0.112 0.000 1.202 1062 H CA 0.888 56.928 56.048 -0.013 0.000 1.322 1062 H CB 1.557 31.285 29.762 -0.056 0.000 1.544 1062 H HN 0.767 nan 8.280 nan 0.000 0.565 1076 F N 2.612 122.553 119.950 -0.015 0.000 2.477 1076 F HA 0.695 5.222 4.527 -0.000 0.000 0.335 1076 F C 0.961 176.923 175.800 0.271 0.000 1.130 1076 F CA -1.461 56.606 58.000 0.113 0.000 0.948 1076 F CB 1.908 40.997 39.000 0.149 0.000 1.154 1076 F HN 0.819 nan 8.300 nan 0.000 0.439 1077 S N 5.141 121.111 115.700 0.451 0.000 2.617 1077 S HA 0.450 4.920 4.470 -0.000 0.000 0.269 1077 S C -1.855 172.969 174.600 0.374 0.000 1.292 1077 S CA -1.044 57.413 58.200 0.428 0.000 1.010 1077 S CB 1.460 64.916 63.200 0.425 0.000 0.944 1077 S HN 0.450 nan 8.310 nan 0.000 0.536 1078 P HA 0.245 nan 4.420 nan 0.000 0.257 1078 P C -0.582 176.752 177.300 0.055 0.000 1.281 1078 P CA 0.010 63.219 63.100 0.181 0.000 0.826 1078 P CB 0.010 31.820 31.700 0.184 0.000 1.237 1079 V N 0.950 120.891 119.914 0.045 0.000 2.735 1079 V HA 0.447 4.566 4.120 -0.000 0.000 0.310 1079 V C -0.065 175.982 176.094 -0.079 0.000 1.061 1079 V CA -0.714 61.576 62.300 -0.017 0.000 0.913 1079 V CB 2.664 34.503 31.823 0.027 0.000 1.005 1079 V HN -0.155 nan 8.190 nan 0.000 0.428 1080 I N 3.924 124.408 120.570 -0.143 0.000 2.500 1080 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 1080 I C -0.250 175.795 176.117 -0.119 0.000 1.063 1080 I CA -0.787 60.391 61.300 -0.204 0.000 1.062 1080 I CB 1.860 39.615 38.000 -0.410 0.000 1.223 1080 I HN 0.346 nan 8.210 nan 0.000 0.435 1081 K N 6.074 126.430 120.400 -0.073 0.000 2.412 1081 K HA 0.212 4.532 4.320 -0.000 0.000 0.284 1081 K C 0.859 177.429 176.600 -0.049 0.000 1.046 1081 K CA 0.057 56.319 56.287 -0.042 0.000 0.999 1081 K CB 1.086 33.575 32.500 -0.018 0.000 0.941 1081 K HN 0.646 nan 8.250 nan 0.000 0.474 1082 L N 1.935 123.137 121.223 -0.036 0.000 2.456 1082 L HA -0.163 4.177 4.340 -0.000 0.000 0.224 1082 L C 1.765 178.624 176.870 -0.020 0.000 1.148 1082 L CA 0.733 55.556 54.840 -0.030 0.000 0.825 1082 L CB -0.204 41.846 42.059 -0.016 0.000 0.937 1082 L HN 0.556 nan 8.230 nan 0.000 0.450 1083 S N -1.737 113.954 115.700 -0.015 0.000 2.453 1083 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 1083 S C 1.841 176.435 174.600 -0.011 0.000 1.005 1083 S CA 1.265 59.459 58.200 -0.009 0.000 0.949 1083 S CB -0.518 62.680 63.200 -0.004 0.000 0.774 1083 S HN 0.590 nan 8.310 nan 0.000 0.510 1084 T N -1.094 113.449 114.554 -0.018 0.000 3.040 1084 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 1084 T C 0.453 175.139 174.700 -0.024 0.000 1.058 1084 T CA -0.304 61.785 62.100 -0.018 0.000 0.988 1084 T CB -0.278 68.579 68.868 -0.019 0.000 0.993 1084 T HN 0.104 nan 8.240 nan 0.000 0.519 1085 V N 2.309 122.205 119.914 -0.031 0.000 2.686 1085 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 1085 V C -0.175 175.912 176.094 -0.013 0.000 1.055 1085 V CA -0.420 61.859 62.300 -0.034 0.000 1.050 1085 V CB 1.042 32.835 31.823 -0.050 0.000 0.984 1085 V HN 0.468 nan 8.190 nan 0.000 0.482 1086 L N 5.394 126.615 121.223 -0.004 0.000 2.408 1086 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 1086 L C -0.739 176.149 176.870 0.029 0.000 0.986 1086 L CA -0.801 54.046 54.840 0.011 0.000 0.820 1086 L CB 2.168 44.234 42.059 0.012 0.000 1.303 1086 L HN 0.327 nan 8.230 nan 0.000 0.411 1087 V N 2.084 122.021 119.914 0.039 0.000 2.612 1087 V HA 0.692 4.812 4.120 -0.000 0.000 0.301 1087 V C -0.115 176.031 176.094 0.086 0.000 1.046 1087 V CA -0.824 61.514 62.300 0.064 0.000 0.946 1087 V CB 1.655 33.510 31.823 0.053 0.000 1.003 1087 V HN 0.691 nan 8.190 nan 0.000 0.459 1088 R N 1.789 122.374 120.500 0.142 0.000 2.740 1088 R HA 0.467 4.807 4.340 -0.000 0.000 0.273 1088 R C -1.083 175.313 176.300 0.160 0.000 0.998 1088 R CA -0.821 55.376 56.100 0.162 0.000 0.900 1088 R CB 1.887 32.313 30.300 0.210 0.000 1.223 1088 R HN 0.726 nan 8.270 nan 0.000 0.466 1089 Q N 0.809 120.674 119.800 0.108 0.000 2.288 1089 Q HA 0.301 4.641 4.340 -0.000 0.000 0.254 1089 Q C -0.378 175.638 176.000 0.026 0.000 0.932 1089 Q CA -0.429 55.395 55.803 0.036 0.000 0.902 1089 Q CB 1.777 30.531 28.738 0.027 0.000 1.203 1089 Q HN 0.223 nan 8.270 nan 0.000 0.415 1090 V N 2.670 122.491 119.914 -0.155 0.000 2.353 1090 V HA 0.113 4.233 4.120 -0.000 0.000 0.264 1090 V C 0.734 176.783 176.094 -0.076 0.000 1.049 1090 V CA 0.059 62.213 62.300 -0.242 0.000 0.896 1090 V CB 0.628 32.136 31.823 -0.527 0.000 1.025 1090 V HN 0.918 nan 8.190 nan 0.000 0.475 1091 A N 3.729 126.557 122.820 0.014 0.000 2.261 1091 A HA 0.088 4.408 4.320 -0.000 0.000 0.208 1091 A C 1.683 179.272 177.584 0.009 0.000 1.223 1091 A CA 1.020 53.068 52.037 0.018 0.000 0.833 1091 A CB -0.447 18.579 19.000 0.043 0.000 0.830 1091 A HN 0.859 nan 8.150 nan 0.000 0.483 1092 T N -3.385 111.165 114.554 -0.006 0.000 3.286 1092 T HA 0.105 4.454 4.350 -0.000 0.000 0.237 1092 T C 0.545 175.233 174.700 -0.020 0.000 0.969 1092 T CA 0.170 62.267 62.100 -0.005 0.000 1.298 1092 T CB -0.420 68.451 68.868 0.005 0.000 1.053 1092 T HN 0.221 nan 8.240 nan 0.000 0.402 1093 D N 2.036 122.411 120.400 -0.041 0.000 2.371 1093 D HA 0.138 4.778 4.640 -0.000 0.000 0.256 1093 D C 0.292 176.561 176.300 -0.052 0.000 1.193 1093 D CA -0.011 53.962 54.000 -0.046 0.000 0.881 1093 D CB 0.524 41.286 40.800 -0.065 0.000 1.143 1093 D HN 0.167 nan 8.370 nan 0.000 0.473 1094 N N 2.631 121.312 118.700 -0.030 0.000 2.461 1094 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 1094 N C 0.446 175.944 175.510 -0.020 0.000 1.134 1094 N CA 0.378 53.414 53.050 -0.023 0.000 0.878 1094 N CB 0.504 38.986 38.487 -0.010 0.000 0.972 1094 N HN 0.375 nan 8.380 nan 0.000 0.456 1095 K N -0.165 120.219 120.400 -0.026 0.000 2.358 1095 K HA 0.273 4.593 4.320 -0.000 0.000 0.200 1095 K C 0.012 176.586 176.600 -0.042 0.000 1.030 1095 K CA -0.153 56.126 56.287 -0.015 0.000 1.097 1095 K CB 1.278 33.776 32.500 -0.004 0.000 0.862 1095 K HN -0.038 nan 8.250 nan 0.000 0.534 1096 A N 1.216 123.982 122.820 -0.090 0.000 2.324 1096 A HA 0.639 4.959 4.320 -0.000 0.000 0.330 1096 A C -0.971 176.488 177.584 -0.207 0.000 1.165 1096 A CA -0.593 51.350 52.037 -0.156 0.000 0.813 1096 A CB 0.653 19.528 19.000 -0.210 0.000 1.197 1096 A HN 0.181 nan 8.150 nan 0.000 0.484 1097 L N 2.358 123.466 121.223 -0.192 0.000 2.372 1097 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 1097 L C -1.250 175.583 176.870 -0.062 0.000 0.989 1097 L CA -0.455 54.315 54.840 -0.116 0.000 0.841 1097 L CB 1.349 43.383 42.059 -0.042 0.000 1.225 1097 L HN 0.686 nan 8.230 nan 0.000 0.414 1098 F N 3.768 123.730 119.950 0.019 0.000 2.556 1098 F HA 0.091 4.618 4.527 -0.000 0.000 0.344 1098 F C 0.547 176.356 175.800 0.016 0.000 1.255 1098 F CA -0.249 57.767 58.000 0.027 0.000 1.091 1098 F CB 0.394 39.413 39.000 0.032 0.000 1.325 1098 F HN 0.043 nan 8.300 nan 0.000 0.627 1099 V N 6.359 126.396 119.914 0.204 0.000 2.370 1099 V HA 0.101 4.220 4.120 -0.000 0.000 0.257 1099 V C 0.794 176.963 176.094 0.124 0.000 1.064 1099 V CA -0.396 61.959 62.300 0.092 0.000 0.975 1099 V CB -0.329 31.472 31.823 -0.037 0.000 1.067 1099 V HN 0.393 nan 8.190 nan 0.000 0.485 1100 I N 3.615 124.232 120.570 0.078 0.000 2.720 1100 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 1100 I C 0.661 176.790 176.117 0.020 0.000 1.090 1100 I CA 0.395 61.722 61.300 0.046 0.000 1.384 1100 I CB 1.373 39.379 38.000 0.010 0.000 1.420 1100 I HN 0.577 nan 8.210 nan 0.000 0.575 1101 S N 7.042 122.756 115.700 0.024 0.000 2.745 1101 S HA 0.436 4.906 4.470 -0.000 0.000 0.283 1101 S C -0.503 174.094 174.600 -0.005 0.000 1.170 1101 S CA -0.876 57.316 58.200 -0.013 0.000 1.119 1101 S CB 0.485 63.671 63.200 -0.023 0.000 1.035 1101 S HN 0.441 nan 8.310 nan 0.000 0.483 1102 M N 4.052 123.646 119.600 -0.009 0.000 2.143 1102 M HA 0.321 4.801 4.480 -0.000 0.000 0.348 1102 M C -0.083 176.217 176.300 0.001 0.000 1.375 1102 M CA 0.068 55.366 55.300 -0.004 0.000 1.124 1102 M CB 0.744 33.341 32.600 -0.004 0.000 1.669 1102 M HN 0.586 nan 8.290 nan 0.000 0.469 1103 S N 1.010 116.713 115.700 0.005 0.000 2.751 1103 S HA 0.321 4.791 4.470 -0.000 0.000 0.310 1103 S C 0.650 175.257 174.600 0.012 0.000 1.128 1103 S CA -0.849 57.358 58.200 0.012 0.000 0.931 1103 S CB 1.583 64.794 63.200 0.019 0.000 1.177 1103 S HN 0.734 nan 8.310 nan 0.000 0.530 1104 D N 0.449 120.859 120.400 0.016 0.000 2.317 1104 D HA -0.056 4.584 4.640 -0.000 0.000 0.211 1104 D C 0.969 177.279 176.300 0.016 0.000 0.966 1104 D CA 0.676 54.685 54.000 0.015 0.000 0.876 1104 D CB -0.178 40.632 40.800 0.016 0.000 0.927 1104 D HN 0.234 nan 8.370 nan 0.000 0.519 1105 N N 0.531 119.243 118.700 0.020 0.000 2.124 1105 N HA 0.037 4.777 4.740 -0.000 0.000 0.188 1105 N C 1.136 176.658 175.510 0.019 0.000 1.045 1105 N CA 1.809 54.872 53.050 0.021 0.000 0.846 1105 N CB 0.319 38.821 38.487 0.025 0.000 1.020 1105 N HN 0.369 nan 8.380 nan 0.000 0.432 1106 G N -1.589 107.223 108.800 0.021 0.000 3.255 1106 G HA2 0.635 4.595 3.960 -0.000 0.000 0.161 1106 G HA3 0.635 4.595 3.960 -0.000 0.000 0.161 1106 G C -1.773 173.134 174.900 0.012 0.000 1.173 1106 G CA 0.345 45.457 45.100 0.020 0.000 1.106 1106 G HN 0.392 nan 8.290 nan 0.000 0.650 1107 A N -0.090 122.736 122.820 0.010 0.000 2.541 1107 A HA 0.651 4.971 4.320 -0.000 0.000 0.285 1107 A C -1.241 176.328 177.584 -0.026 0.000 1.058 1107 A CA -0.418 51.615 52.037 -0.006 0.000 0.886 1107 A CB 0.930 19.924 19.000 -0.011 0.000 1.411 1107 A HN 0.466 nan 8.150 nan 0.000 0.403 1108 Q N 2.013 121.769 119.800 -0.073 0.000 2.314 1108 Q HA 0.671 5.011 4.340 -0.000 0.000 0.259 1108 Q C -0.634 175.183 176.000 -0.305 0.000 0.951 1108 Q CA -0.063 55.560 55.803 -0.300 0.000 0.909 1108 Q CB 2.029 30.418 28.738 -0.581 0.000 1.236 1108 Q HN 0.701 nan 8.270 nan 0.000 0.444 1109 I N 2.356 122.756 120.570 -0.283 0.000 2.385 1109 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 1109 I C -0.831 175.228 176.117 -0.097 0.000 0.988 1109 I CA -0.919 60.351 61.300 -0.050 0.000 1.265 1109 I CB 0.716 38.721 38.000 0.008 0.000 1.388 1109 I HN 0.593 nan 8.210 nan 0.000 0.480 1110 Y N 3.867 124.174 120.300 0.011 0.000 2.863 1110 Y HA 0.239 4.789 4.550 -0.000 0.000 0.348 1110 Y C 0.310 176.248 175.900 0.063 0.000 1.028 1110 Y CA -0.836 57.250 58.100 -0.022 0.000 1.213 1110 Y CB 0.502 38.708 38.460 -0.422 0.000 1.120 1110 Y HN 0.497 nan 8.280 nan 0.000 0.598 1111 E N 3.595 124.042 120.200 0.411 0.000 2.328 1111 E HA 0.314 4.664 4.350 -0.000 0.000 0.265 1111 E C -1.358 175.347 176.600 0.175 0.000 1.057 1111 E CA -0.015 56.575 56.400 0.316 0.000 0.916 1111 E CB 0.402 30.340 29.700 0.396 0.000 0.993 1111 E HN 0.581 nan 8.360 nan 0.000 0.446 1112 L N 5.096 126.316 121.223 -0.004 0.000 2.376 1112 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 1112 L C -0.750 176.057 176.870 -0.104 0.000 0.987 1112 L CA -0.858 53.940 54.840 -0.071 0.000 0.828 1112 L CB 1.983 43.904 42.059 -0.231 0.000 1.249 1112 L HN 0.351 nan 8.230 nan 0.000 0.409 1113 V N 2.604 122.482 119.914 -0.060 0.000 2.539 1113 V HA 0.765 4.885 4.120 -0.000 0.000 0.292 1113 V C 0.382 176.440 176.094 -0.060 0.000 1.045 1113 V CA -0.298 61.969 62.300 -0.055 0.000 0.945 1113 V CB 1.716 33.527 31.823 -0.020 0.000 0.993 1113 V HN 0.875 nan 8.190 nan 0.000 0.464 1114 A N 3.353 126.156 122.820 -0.028 0.000 2.282 1114 A HA 0.571 4.891 4.320 -0.000 0.000 0.324 1114 A C 0.618 178.223 177.584 0.034 0.000 1.119 1114 A CA -0.437 51.611 52.037 0.019 0.000 0.880 1114 A CB 1.077 20.141 19.000 0.107 0.000 1.294 1114 A HN 0.825 nan 8.150 nan 0.000 0.493 1115 Q N -0.620 119.213 119.800 0.055 0.000 2.137 1115 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 1115 Q C 0.256 176.280 176.000 0.041 0.000 0.960 1115 Q CA 1.526 57.355 55.803 0.044 0.000 0.847 1115 Q CB 0.019 28.787 28.738 0.050 0.000 0.915 1115 Q HN 0.866 nan 8.270 nan 0.000 0.448 1116 T N -3.954 110.632 114.554 0.054 0.000 2.912 1116 T HA 0.343 4.693 4.350 -0.000 0.000 0.299 1116 T C 0.900 175.629 174.700 0.047 0.000 1.052 1116 T CA -0.849 61.277 62.100 0.042 0.000 0.996 1116 T CB 1.703 70.593 68.868 0.037 0.000 1.070 1116 T HN -0.176 nan 8.240 nan 0.000 0.465 1117 V N 2.472 122.404 119.914 0.031 0.000 2.250 1117 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 1117 V C 2.884 178.999 176.094 0.035 0.000 1.065 1117 V CA 2.803 65.120 62.300 0.028 0.000 1.039 1117 V CB -1.261 30.571 31.823 0.015 0.000 0.647 1117 V HN 1.071 nan 8.190 nan 0.000 0.446 1118 S N -0.975 114.740 115.700 0.025 0.000 2.421 1118 S HA -0.318 4.152 4.470 -0.000 0.000 0.239 1118 S C 1.785 176.398 174.600 0.021 0.000 1.054 1118 S CA 2.105 60.314 58.200 0.015 0.000 1.035 1118 S CB -0.367 62.839 63.200 0.010 0.000 0.840 1118 S HN 0.763 nan 8.310 nan 0.000 0.475 1119 E N 0.731 120.971 120.200 0.066 0.000 2.014 1119 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 1119 E C 2.112 178.830 176.600 0.198 0.000 0.980 1119 E CA 1.151 57.623 56.400 0.121 0.000 0.807 1119 E CB -0.227 29.607 29.700 0.224 0.000 0.770 1119 E HN 0.472 nan 8.360 nan 0.000 0.451 1120 K N 1.268 121.806 120.400 0.230 0.000 2.107 1120 K HA -0.214 4.106 4.320 -0.000 0.000 0.211 1120 K C 1.927 178.603 176.600 0.126 0.000 1.049 1120 K CA 2.362 58.773 56.287 0.207 0.000 0.927 1120 K CB -0.797 31.757 32.500 0.090 0.000 0.714 1120 K HN -0.041 nan 8.250 nan 0.000 0.452 1121 T N -0.132 114.454 114.554 0.054 0.000 2.821 1121 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 1121 T C 1.791 176.471 174.700 -0.033 0.000 1.046 1121 T CA 1.280 63.386 62.100 0.009 0.000 1.139 1121 T CB -0.210 68.654 68.868 -0.006 0.000 0.871 1121 T HN 0.103 nan 8.240 nan 0.000 0.454 1122 V N -0.419 119.438 119.914 -0.096 0.000 2.407 1122 V HA -0.066 4.054 4.120 -0.000 0.000 0.245 1122 V C 1.949 177.844 176.094 -0.332 0.000 1.041 1122 V CA 1.132 63.278 62.300 -0.258 0.000 1.040 1122 V CB -0.447 31.144 31.823 -0.386 0.000 0.671 1122 V HN 0.616 nan 8.190 nan 0.000 0.455 1123 W N 0.152 121.351 121.300 -0.169 0.000 2.315 1123 W HA -0.344 4.316 4.660 -0.000 0.000 0.323 1123 W C 2.674 179.133 176.519 -0.099 0.000 1.233 1123 W CA 2.199 59.472 57.345 -0.120 0.000 1.267 1123 W CB -0.644 28.787 29.460 -0.048 0.000 1.160 1123 W HN 0.233 nan 8.180 nan 0.000 0.474 1124 Q N 0.329 120.233 119.800 0.174 0.000 2.082 1124 Q HA -0.317 4.023 4.340 -0.000 0.000 0.211 1124 Q C 1.748 177.763 176.000 0.025 0.000 1.002 1124 Q CA 2.540 58.391 55.803 0.080 0.000 0.868 1124 Q CB -0.522 28.244 28.738 0.047 0.000 0.931 1124 Q HN 0.172 nan 8.270 nan 0.000 0.414 1125 D N -1.042 119.339 120.400 -0.032 0.000 2.183 1125 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 1125 D C 1.841 178.099 176.300 -0.069 0.000 0.962 1125 D CA 0.701 54.670 54.000 -0.052 0.000 0.849 1125 D CB 0.035 40.791 40.800 -0.072 0.000 0.978 1125 D HN 0.339 nan 8.370 nan 0.000 0.488 1126 L N 0.160 121.307 121.223 -0.127 0.000 2.056 1126 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 1126 L C 2.488 179.336 176.870 -0.036 0.000 1.078 1126 L CA 0.606 55.370 54.840 -0.127 0.000 0.749 1126 L CB -0.308 41.591 42.059 -0.267 0.000 0.901 1126 L HN 0.103 nan 8.230 nan 0.000 0.433 1127 I N -0.713 119.868 120.570 0.020 0.000 2.099 1127 I HA -0.416 3.754 4.170 -0.000 0.000 0.239 1127 I C 2.838 178.967 176.117 0.020 0.000 1.066 1127 I CA 1.457 62.788 61.300 0.052 0.000 1.324 1127 I CB -0.525 37.534 38.000 0.098 0.000 1.037 1127 I HN 0.427 nan 8.210 nan 0.000 0.401 1128 C N 1.038 120.347 119.300 0.015 0.000 2.401 1128 C HA -0.199 4.261 4.460 -0.000 0.000 0.276 1128 C C 3.052 178.042 174.990 -0.001 0.000 1.233 1128 C CA 1.317 60.339 59.018 0.008 0.000 1.753 1128 C CB -1.174 26.570 27.740 0.007 0.000 2.029 1128 C HN 0.372 nan 8.230 nan 0.000 0.478 1129 R N -0.899 119.595 120.500 -0.010 0.000 2.093 1129 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 1129 R C 2.361 178.657 176.300 -0.008 0.000 1.101 1129 R CA 1.106 57.199 56.100 -0.012 0.000 0.979 1129 R CB -0.188 30.098 30.300 -0.023 0.000 0.877 1129 R HN 0.454 nan 8.270 nan 0.000 0.441 1130 M N 0.231 119.828 119.600 -0.005 0.000 2.067 1130 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 1130 M C 2.495 178.795 176.300 0.000 0.000 1.069 1130 M CA 1.700 57.000 55.300 -0.000 0.000 1.117 1130 M CB -1.206 31.398 32.600 0.007 0.000 1.334 1130 M HN 0.152 nan 8.290 nan 0.000 0.407 1131 A N 0.582 123.402 122.820 0.000 0.000 1.894 1131 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 1131 A C 2.402 179.986 177.584 -0.001 0.000 1.237 1131 A CA 3.202 55.238 52.037 -0.002 0.000 0.660 1131 A CB -1.232 17.767 19.000 -0.001 0.000 0.835 1131 A HN 0.557 nan 8.150 nan 0.000 0.461 1132 A N -1.681 121.139 122.820 -0.000 0.000 2.016 1132 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 1132 A C 2.400 179.984 177.584 0.001 0.000 1.162 1132 A CA 1.838 53.875 52.037 0.000 0.000 0.662 1132 A CB -0.736 18.264 19.000 0.000 0.000 0.812 1132 A HN 0.664 nan 8.150 nan 0.000 0.450 1133 S N -0.601 115.099 115.700 0.000 0.000 2.355 1133 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 1133 S C 1.925 176.526 174.600 0.003 0.000 1.031 1133 S CA 1.680 59.881 58.200 0.002 0.000 0.993 1133 S CB -0.438 62.763 63.200 0.001 0.000 0.859 1133 S HN 0.264 nan 8.310 nan 0.000 0.453 1134 V N 1.643 121.558 119.914 0.002 0.000 2.237 1134 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 1134 V C 2.533 178.628 176.094 0.002 0.000 1.046 1134 V CA 2.077 64.379 62.300 0.002 0.000 1.007 1134 V CB -0.561 31.262 31.823 0.000 0.000 0.638 1134 V HN 0.474 nan 8.190 nan 0.000 0.445 1135 K N -0.416 119.985 120.400 0.001 0.000 2.211 1135 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 1135 K C 1.649 178.251 176.600 0.002 0.000 1.047 1135 K CA 1.482 57.770 56.287 0.001 0.000 0.935 1135 K CB -0.107 32.394 32.500 0.001 0.000 0.728 1135 K HN 0.559 nan 8.250 nan 0.000 0.452 1136 E N 0.326 120.527 120.200 0.003 0.000 2.445 1136 E HA -0.026 4.324 4.350 -0.000 0.000 0.189 1136 E C -0.351 176.252 176.600 0.004 0.000 1.069 1136 E CA 0.038 56.440 56.400 0.004 0.000 0.871 1136 E CB 0.396 30.098 29.700 0.004 0.000 0.991 1136 E HN 0.228 nan 8.360 nan 0.000 0.481 1137 Q N 1.358 121.161 119.800 0.004 0.000 2.730 1137 Q HA 0.129 4.469 4.340 -0.000 0.000 0.244 1137 Q C -0.317 175.686 176.000 0.005 0.000 1.176 1137 Q CA -0.426 55.380 55.803 0.005 0.000 1.024 1137 Q CB 1.020 29.761 28.738 0.005 0.000 1.215 1137 Q HN 0.111 nan 8.270 nan 0.000 0.542 1138 S N 0.000 115.703 115.700 0.005 0.000 2.498 1138 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1138 S CA 0.000 58.203 58.200 0.004 0.000 1.107 1138 S CB 0.000 63.203 63.200 0.004 0.000 0.593 1138 S HN 0.000 nan 8.310 nan 0.000 0.517