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 1tll_1_B DATA FIRST_RESID 2752 DATA SEQUENCE RVKATILYAT ETGKSQAYAK TLCEIFKHAF DAKAMSMEEY DIVHLEHEAL DATA SEQUENCE VLVVTSTFGN GDPPENGEKF GCALMEMRXX XXXXXXXXSY KVRFNXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXVRFSV FGLGSRAYPH FCAFGHAVDT DATA SEQUENCE LLEELGGERI LKMREGDELC GQEEAFRTWA KKVFKAACDV FCVGDDVNIE DATA SEQUENCE KXXXXXXSND RSWKRNKFRL TYVAEAPDLT QGLSNVHKKR VSAARLLSRQ DATA SEQUENCE NLQSPKSSRS TIFVRLHTNG NQELQYQPGD HLGVFPGNHE DLVNALIERL DATA SEQUENCE EDAPPANHVV KVEMLEERNT ALGVISNWKD ESRLPPCTIF QAFKYYLDIT DATA SEQUENCE TPPTPLQLQQ FASLATNEKE KQRLLVLSKG LQEYEEWKWG KNPTMVEVLE DATA SEQUENCE EFPSIQMPAT LLLTQLSLLQ PRYYSISSSP DMYPDEVHLT VAIVSYHTRD DATA SEQUENCE GEGPVHHGVC SSWLNRIQAD DVVPCFVRGA PSFHLPRNPQ VPCILVGPGT DATA SEQUENCE GIAPFRSFWQ QRQFDIQHKG MNPCPMVLVF GCRQSKIDHI YREETLQAKN DATA SEQUENCE KGVFRELYTA YSREPDRPKK YVQDVLQEQL AESVYRALKE QGGHIYVCGD DATA SEQUENCE VTMAADVLKA IQRIMTQQGK LSEEDAGVFI SRLRDDNRYH EDIFGVTLRT DATA SEQUENCE YEVTNRLRSE SI 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 2752 R HA 0.000 nan 4.340 nan 0.000 0.208 2752 R C 0.000 176.305 176.300 0.008 0.000 0.893 2752 R CA 0.000 56.079 56.100 -0.036 0.000 0.921 2752 R CB 0.000 30.301 30.300 0.002 0.000 0.687 2753 V N 1.740 121.669 119.914 0.025 0.000 2.532 2753 V HA 0.361 4.482 4.120 0.002 0.000 0.295 2753 V C -0.064 176.129 176.094 0.166 0.000 1.041 2753 V CA -0.796 61.560 62.300 0.092 0.000 0.926 2753 V CB 1.822 33.667 31.823 0.036 0.000 0.992 2753 V HN 0.755 nan 8.190 nan 0.000 0.457 2754 K N 3.260 123.713 120.400 0.088 0.000 2.312 2754 K HA 0.702 5.024 4.320 0.002 0.000 0.287 2754 K C -0.382 176.222 176.600 0.007 0.000 1.062 2754 K CA -0.190 56.143 56.287 0.076 0.000 0.934 2754 K CB 1.125 33.670 32.500 0.075 0.000 1.027 2754 K HN 0.634 nan 8.250 nan 0.000 0.478 2755 A N 3.542 126.355 122.820 -0.011 0.000 2.267 2755 A HA 0.293 4.614 4.320 0.002 0.000 0.315 2755 A C -0.632 176.884 177.584 -0.113 0.000 1.297 2755 A CA -0.722 51.222 52.037 -0.156 0.000 0.865 2755 A CB 1.062 19.877 19.000 -0.308 0.000 1.165 2755 A HN 0.713 nan 8.150 nan 0.000 0.513 2756 T N 3.597 118.091 114.554 -0.100 0.000 2.733 2756 T HA 0.419 4.771 4.350 0.002 0.000 0.294 2756 T C -0.053 174.552 174.700 -0.158 0.000 0.956 2756 T CA 0.296 62.334 62.100 -0.102 0.000 0.987 2756 T CB -0.157 68.659 68.868 -0.087 0.000 0.920 2756 T HN 0.457 nan 8.240 nan 0.000 0.470 2757 I N 5.296 125.782 120.570 -0.139 0.000 2.306 2757 I HA 0.305 4.477 4.170 0.002 0.000 0.288 2757 I C -0.230 175.838 176.117 -0.082 0.000 1.036 2757 I CA -0.433 60.803 61.300 -0.106 0.000 1.221 2757 I CB 0.645 38.605 38.000 -0.066 0.000 1.385 2757 I HN 0.343 nan 8.210 nan 0.000 0.472 2758 L N 7.880 129.010 121.223 -0.154 0.000 2.275 2758 L HA 0.434 4.775 4.340 0.002 0.000 0.288 2758 L C -0.686 176.104 176.870 -0.133 0.000 1.046 2758 L CA -0.812 53.873 54.840 -0.258 0.000 0.805 2758 L CB 0.716 42.500 42.059 -0.459 0.000 1.193 2758 L HN 0.488 nan 8.230 nan 0.000 0.426 2759 Y N 2.041 122.241 120.300 -0.166 0.000 2.499 2759 Y HA 0.879 5.431 4.550 0.003 0.000 0.347 2759 Y C -0.793 175.049 175.900 -0.097 0.000 0.987 2759 Y CA -1.277 56.759 58.100 -0.107 0.000 1.044 2759 Y CB 1.615 40.042 38.460 -0.054 0.000 1.245 2759 Y HN 0.516 nan 8.280 nan 0.000 0.461 2760 A N 2.299 125.177 122.820 0.097 0.000 2.365 2760 A HA 0.830 5.152 4.320 0.002 0.000 0.318 2760 A C -0.672 176.993 177.584 0.134 0.000 1.091 2760 A CA -0.405 51.651 52.037 0.033 0.000 0.763 2760 A CB 1.606 20.644 19.000 0.063 0.000 1.248 2760 A HN 1.074 nan 8.150 nan 0.000 0.442 2761 T N 0.203 114.796 114.554 0.064 0.000 2.957 2761 T HA 0.456 4.807 4.350 0.002 0.000 0.336 2761 T C 0.006 174.642 174.700 -0.106 0.000 1.462 2761 T CA -0.099 62.021 62.100 0.034 0.000 1.073 2761 T CB 1.725 70.663 68.868 0.117 0.000 1.319 2761 T HN 0.731 nan 8.240 nan 0.000 0.485 2762 E N 0.597 120.668 120.200 -0.214 0.000 2.307 2762 E HA 0.174 4.525 4.350 0.002 0.000 0.192 2762 E C 1.710 178.231 176.600 -0.131 0.000 0.967 2762 E CA 0.871 57.041 56.400 -0.384 0.000 1.042 2762 E CB 0.352 29.310 29.700 -1.236 0.000 1.126 2762 E HN 0.711 nan 8.360 nan 0.000 0.484 2763 T N -2.058 112.482 114.554 -0.022 0.000 3.194 2763 T HA 0.239 4.590 4.350 0.002 0.000 0.251 2763 T C 1.261 175.969 174.700 0.014 0.000 1.132 2763 T CA 0.505 62.634 62.100 0.049 0.000 1.028 2763 T CB 0.122 69.066 68.868 0.128 0.000 0.976 2763 T HN 0.418 nan 8.240 nan 0.000 0.535 2764 G N 1.546 110.337 108.800 -0.015 0.000 2.147 2764 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 2764 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 2764 G C 0.737 175.545 174.900 -0.155 0.000 1.005 2764 G CA 0.547 45.609 45.100 -0.063 0.000 0.713 2764 G HN 0.579 nan 8.290 nan 0.000 0.515 2765 K N 0.017 120.315 120.400 -0.171 0.000 2.098 2765 K HA 0.107 4.428 4.320 0.002 0.000 0.203 2765 K C 2.578 178.871 176.600 -0.511 0.000 1.051 2765 K CA 1.135 57.203 56.287 -0.366 0.000 0.957 2765 K CB -0.134 32.188 32.500 -0.297 0.000 0.738 2765 K HN 0.281 nan 8.250 nan 0.000 0.447 2766 S N 1.685 117.241 115.700 -0.240 0.000 2.419 2766 S HA -0.195 4.276 4.470 0.002 0.000 0.233 2766 S C 1.959 176.394 174.600 -0.275 0.000 1.016 2766 S CA 1.114 59.242 58.200 -0.119 0.000 0.974 2766 S CB -0.102 63.126 63.200 0.045 0.000 0.786 2766 S HN 0.329 nan 8.310 nan 0.000 0.492 2767 Q N 1.227 120.774 119.800 -0.422 0.000 2.046 2767 Q HA -0.082 4.259 4.340 0.002 0.000 0.200 2767 Q C 2.260 177.934 176.000 -0.544 0.000 0.975 2767 Q CA 1.341 56.645 55.803 -0.832 0.000 0.836 2767 Q CB -0.365 28.027 28.738 -0.577 0.000 0.896 2767 Q HN 0.544 nan 8.270 nan 0.000 0.428 2768 A N 0.061 122.637 122.820 -0.405 0.000 1.877 2768 A HA -0.203 4.119 4.320 0.002 0.000 0.216 2768 A C 1.808 179.255 177.584 -0.227 0.000 1.186 2768 A CA 1.447 53.296 52.037 -0.313 0.000 0.620 2768 A CB -1.074 17.708 19.000 -0.363 0.000 0.822 2768 A HN 0.552 nan 8.150 nan 0.000 0.443 2769 Y N -0.057 120.030 120.300 -0.354 0.000 2.165 2769 Y HA -0.141 4.411 4.550 0.003 0.000 0.286 2769 Y C 2.958 178.791 175.900 -0.113 0.000 1.155 2769 Y CA 0.402 58.184 58.100 -0.530 0.000 1.164 2769 Y CB -1.150 36.756 38.460 -0.923 0.000 0.978 2769 Y HN 0.346 nan 8.280 nan 0.000 0.513 2770 A N 0.130 122.968 122.820 0.031 0.000 1.873 2770 A HA -0.137 4.184 4.320 0.002 0.000 0.215 2770 A C 2.294 179.902 177.584 0.041 0.000 1.186 2770 A CA 1.403 53.479 52.037 0.066 0.000 0.616 2770 A CB -0.361 18.624 19.000 -0.025 0.000 0.823 2770 A HN 0.162 nan 8.150 nan 0.000 0.442 2771 K N -0.176 120.193 120.400 -0.052 0.000 2.152 2771 K HA -0.096 4.226 4.320 0.002 0.000 0.206 2771 K C 1.944 178.565 176.600 0.036 0.000 1.048 2771 K CA 1.794 58.068 56.287 -0.021 0.000 0.933 2771 K CB -0.910 31.552 32.500 -0.064 0.000 0.721 2771 K HN 0.549 nan 8.250 nan 0.000 0.447 2772 T N 1.863 116.471 114.554 0.090 0.000 2.851 2772 T HA -0.067 4.285 4.350 0.002 0.000 0.262 2772 T C 1.867 176.646 174.700 0.132 0.000 1.043 2772 T CA 0.494 62.672 62.100 0.130 0.000 1.140 2772 T CB -0.210 68.807 68.868 0.249 0.000 0.872 2772 T HN 0.041 nan 8.240 nan 0.000 0.446 2773 L N 0.927 122.293 121.223 0.238 0.000 2.127 2773 L HA -0.054 4.288 4.340 0.002 0.000 0.211 2773 L C 2.568 179.506 176.870 0.114 0.000 1.089 2773 L CA 1.358 56.319 54.840 0.202 0.000 0.757 2773 L CB -0.687 41.548 42.059 0.294 0.000 0.899 2773 L HN 0.380 nan 8.230 nan 0.000 0.434 2774 C N -0.595 118.748 119.300 0.071 0.000 2.457 2774 C HA -0.061 4.400 4.460 0.002 0.000 0.278 2774 C C 2.654 177.657 174.990 0.022 0.000 1.309 2774 C CA 0.451 59.498 59.018 0.048 0.000 1.735 2774 C CB -0.817 26.945 27.740 0.036 0.000 1.992 2774 C HN 0.546 nan 8.230 nan 0.000 0.493 2775 E N 0.304 120.492 120.200 -0.020 0.000 2.268 2775 E HA -0.097 4.254 4.350 0.002 0.000 0.195 2775 E C 1.838 178.263 176.600 -0.292 0.000 0.995 2775 E CA 0.896 57.244 56.400 -0.088 0.000 0.836 2775 E CB -0.311 29.359 29.700 -0.050 0.000 0.763 2775 E HN 0.811 nan 8.360 nan 0.000 0.491 2776 I N -0.946 119.418 120.570 -0.344 0.000 2.429 2776 I HA -0.123 4.048 4.170 0.002 0.000 0.247 2776 I C 1.520 177.115 176.117 -0.871 0.000 1.099 2776 I CA 0.466 61.287 61.300 -0.798 0.000 1.422 2776 I CB 0.043 37.627 38.000 -0.693 0.000 1.112 2776 I HN -0.130 nan 8.210 nan 0.000 0.430 2777 F N 1.766 121.464 119.950 -0.420 0.000 2.641 2777 F HA -0.072 4.457 4.527 0.003 0.000 0.298 2777 F C 2.210 178.114 175.800 0.173 0.000 1.146 2777 F CA 0.819 58.843 58.000 0.039 0.000 1.464 2777 F CB -0.312 38.711 39.000 0.037 0.000 1.101 2777 F HN -0.027 nan 8.300 nan 0.000 0.585 2778 K N -0.461 119.995 120.400 0.093 0.000 2.057 2778 K HA -0.162 4.160 4.320 0.002 0.000 0.206 2778 K C 1.803 178.537 176.600 0.224 0.000 1.050 2778 K CA 1.387 57.755 56.287 0.135 0.000 0.935 2778 K CB -0.742 31.790 32.500 0.054 0.000 0.715 2778 K HN 0.455 nan 8.250 nan 0.000 0.439 2779 H N -0.040 119.106 119.070 0.127 0.000 2.289 2779 H HA -0.175 4.382 4.556 0.002 0.000 0.294 2779 H C 1.648 177.054 175.328 0.130 0.000 1.095 2779 H CA 1.381 57.513 56.048 0.140 0.000 1.256 2779 H CB 0.087 29.971 29.762 0.203 0.000 1.359 2779 H HN 0.292 nan 8.280 nan 0.000 0.487 2780 A N -0.618 122.396 122.820 0.324 0.000 2.382 2780 A HA 0.279 4.601 4.320 0.002 0.000 0.228 2780 A C -0.148 177.215 177.584 -0.369 0.000 1.217 2780 A CA -0.211 51.769 52.037 -0.095 0.000 0.923 2780 A CB 0.592 19.384 19.000 -0.348 0.000 0.979 2780 A HN 0.128 nan 8.150 nan 0.000 0.515 2781 F N -1.197 118.833 119.950 0.133 0.000 2.664 2781 F HA 0.453 4.981 4.527 0.002 0.000 0.329 2781 F C -0.429 175.428 175.800 0.095 0.000 1.090 2781 F CA -1.218 56.843 58.000 0.101 0.000 0.978 2781 F CB 1.057 40.162 39.000 0.176 0.000 1.378 2781 F HN -0.097 nan 8.300 nan 0.000 0.495 2782 D N 1.574 122.150 120.400 0.293 0.000 2.479 2782 D HA 0.475 5.116 4.640 0.002 0.000 0.218 2782 D C -0.866 175.536 176.300 0.170 0.000 1.131 2782 D CA 0.099 54.203 54.000 0.173 0.000 0.916 2782 D CB 0.529 41.399 40.800 0.117 0.000 1.022 2782 D HN 0.640 nan 8.370 nan 0.000 0.515 2783 A N 3.784 126.705 122.820 0.168 0.000 2.312 2783 A HA 0.711 5.032 4.320 0.002 0.000 0.326 2783 A C -0.040 177.583 177.584 0.064 0.000 1.172 2783 A CA -0.604 51.497 52.037 0.106 0.000 0.821 2783 A CB 1.156 20.244 19.000 0.147 0.000 1.166 2783 A HN 0.362 nan 8.150 nan 0.000 0.493 2784 K N -0.297 120.121 120.400 0.029 0.000 2.433 2784 K HA 0.855 5.176 4.320 0.002 0.000 0.252 2784 K C -1.024 175.589 176.600 0.021 0.000 1.015 2784 K CA -0.527 55.782 56.287 0.036 0.000 0.860 2784 K CB 2.426 34.956 32.500 0.050 0.000 1.359 2784 K HN 1.036 nan 8.250 nan 0.000 0.452 2785 A N 1.527 124.378 122.820 0.053 0.000 2.488 2785 A HA 0.832 5.153 4.320 0.002 0.000 0.298 2785 A C -0.862 176.810 177.584 0.147 0.000 1.044 2785 A CA -0.689 51.409 52.037 0.102 0.000 0.693 2785 A CB 1.073 20.143 19.000 0.116 0.000 1.272 2785 A HN 0.785 nan 8.150 nan 0.000 0.402 2786 M N -0.291 119.387 119.600 0.130 0.000 3.069 2786 M HA 0.570 5.051 4.480 0.002 0.000 0.274 2786 M C -1.022 174.970 176.300 -0.514 0.000 1.146 2786 M CA -0.609 54.682 55.300 -0.014 0.000 0.807 2786 M CB 1.093 33.682 32.600 -0.017 0.000 1.621 2786 M HN 0.398 nan 8.290 nan 0.000 0.521 2787 S N 0.517 115.852 115.700 -0.607 0.000 2.603 2787 S HA 0.417 4.889 4.470 0.002 0.000 0.268 2787 S C 0.646 175.023 174.600 -0.371 0.000 1.317 2787 S CA -0.638 57.110 58.200 -0.754 0.000 1.012 2787 S CB 0.885 63.803 63.200 -0.469 0.000 0.926 2787 S HN 0.755 nan 8.310 nan 0.000 0.539 2788 M N 1.311 120.712 119.600 -0.332 0.000 2.686 2788 M HA -0.061 4.420 4.480 0.002 0.000 0.246 2788 M C 1.763 178.125 176.300 0.105 0.000 1.096 2788 M CA 0.705 55.925 55.300 -0.133 0.000 1.076 2788 M CB -0.391 32.036 32.600 -0.288 0.000 1.504 2788 M HN 0.796 nan 8.290 nan 0.000 0.524 2789 E N 0.117 120.316 120.200 -0.003 0.000 2.206 2789 E HA -0.063 4.288 4.350 0.002 0.000 0.195 2789 E C 1.219 177.841 176.600 0.037 0.000 0.935 2789 E CA 0.119 56.535 56.400 0.027 0.000 0.875 2789 E CB -0.370 29.316 29.700 -0.024 0.000 0.841 2789 E HN 0.481 nan 8.360 nan 0.000 0.477 2790 E N 0.102 120.308 120.200 0.011 0.000 2.322 2790 E HA -0.011 4.340 4.350 0.002 0.000 0.195 2790 E C -1.346 175.331 176.600 0.129 0.000 1.198 2790 E CA -0.142 56.279 56.400 0.035 0.000 1.132 2790 E CB -0.053 29.650 29.700 0.005 0.000 1.213 2790 E HN 0.240 nan 8.360 nan 0.000 0.450 2791 Y N -0.651 119.627 120.300 -0.036 0.000 2.513 2791 Y HA 0.225 4.777 4.550 0.002 0.000 0.340 2791 Y C -1.408 174.448 175.900 -0.073 0.000 1.055 2791 Y CA -1.403 56.676 58.100 -0.036 0.000 1.020 2791 Y CB 1.510 39.978 38.460 0.014 0.000 1.301 2791 Y HN -0.126 nan 8.280 nan 0.000 0.453 2792 D N 4.797 124.754 120.400 -0.739 0.000 2.339 2792 D HA 0.145 4.787 4.640 0.002 0.000 0.256 2792 D C 0.953 176.845 176.300 -0.680 0.000 1.214 2792 D CA 0.353 53.923 54.000 -0.716 0.000 0.877 2792 D CB 0.880 41.018 40.800 -1.105 0.000 1.111 2792 D HN 0.640 nan 8.370 nan 0.000 0.478 2793 I N 3.702 124.095 120.570 -0.295 0.000 3.083 2793 I HA -0.128 4.044 4.170 0.002 0.000 0.273 2793 I C 1.491 177.499 176.117 -0.182 0.000 1.297 2793 I CA 0.734 61.913 61.300 -0.201 0.000 1.452 2793 I CB 0.234 38.085 38.000 -0.248 0.000 1.078 2793 I HN 0.339 nan 8.210 nan 0.000 0.484 2794 V N 0.369 120.167 119.914 -0.193 0.000 2.719 2794 V HA -0.233 3.888 4.120 0.002 0.000 0.252 2794 V C 2.057 178.222 176.094 0.118 0.000 1.065 2794 V CA 1.856 64.134 62.300 -0.036 0.000 1.086 2794 V CB -0.698 31.137 31.823 0.020 0.000 0.700 2794 V HN 0.581 nan 8.190 nan 0.000 0.467 2795 H N -1.202 117.806 119.070 -0.104 0.000 2.502 2795 H HA -0.058 4.500 4.556 0.003 0.000 0.283 2795 H C 2.111 177.458 175.328 0.031 0.000 1.015 2795 H CA 0.788 56.862 56.048 0.042 0.000 1.298 2795 H CB 0.319 30.015 29.762 -0.110 0.000 1.411 2795 H HN 0.389 nan 8.280 nan 0.000 0.556 2796 L N 1.799 123.103 121.223 0.136 0.000 1.997 2796 L HA -0.297 4.045 4.340 0.002 0.000 0.227 2796 L C 2.269 179.148 176.870 0.015 0.000 1.087 2796 L CA 2.104 57.043 54.840 0.165 0.000 0.797 2796 L CB -0.551 41.560 42.059 0.086 0.000 0.902 2796 L HN 0.146 nan 8.230 nan 0.000 0.441 2797 E N -1.209 118.876 120.200 -0.192 0.000 2.331 2797 E HA -0.212 4.139 4.350 0.002 0.000 0.199 2797 E C 1.343 177.778 176.600 -0.276 0.000 1.008 2797 E CA 1.246 57.484 56.400 -0.270 0.000 0.843 2797 E CB -0.160 29.315 29.700 -0.374 0.000 0.761 2797 E HN 0.704 nan 8.360 nan 0.000 0.507 2798 H N -0.003 119.124 119.070 0.095 0.000 2.507 2798 H HA 0.239 4.796 4.556 0.002 0.000 0.294 2798 H C -0.269 175.120 175.328 0.101 0.000 1.064 2798 H CA -0.015 56.077 56.048 0.073 0.000 1.138 2798 H CB 0.159 29.933 29.762 0.022 0.000 1.515 2798 H HN 0.061 nan 8.280 nan 0.000 0.547 2799 E N 0.388 120.692 120.200 0.173 0.000 2.204 2799 E HA 0.421 4.772 4.350 0.002 0.000 0.276 2799 E C 0.647 177.350 176.600 0.172 0.000 0.974 2799 E CA -0.425 56.083 56.400 0.180 0.000 0.815 2799 E CB 2.308 32.127 29.700 0.197 0.000 1.119 2799 E HN 0.207 nan 8.360 nan 0.000 0.393 2800 A N 2.878 125.796 122.820 0.162 0.000 1.911 2800 A HA 0.065 4.386 4.320 0.002 0.000 0.212 2800 A C 0.488 178.220 177.584 0.246 0.000 1.189 2800 A CA 0.607 52.774 52.037 0.217 0.000 0.639 2800 A CB 0.316 19.424 19.000 0.180 0.000 0.839 2800 A HN 0.339 nan 8.150 nan 0.000 0.449 2801 L N 0.061 121.334 121.223 0.083 0.000 2.439 2801 L HA 0.606 4.948 4.340 0.002 0.000 0.270 2801 L C -1.528 175.340 176.870 -0.004 0.000 0.972 2801 L CA -0.525 54.333 54.840 0.031 0.000 0.836 2801 L CB 2.166 44.053 42.059 -0.286 0.000 1.255 2801 L HN -0.064 nan 8.230 nan 0.000 0.404 2802 V N 6.358 126.317 119.914 0.077 0.000 2.444 2802 V HA 0.513 4.634 4.120 0.002 0.000 0.294 2802 V C -0.286 175.841 176.094 0.054 0.000 1.022 2802 V CA -0.489 61.836 62.300 0.042 0.000 0.850 2802 V CB 1.666 33.546 31.823 0.095 0.000 0.992 2802 V HN 0.604 nan 8.190 nan 0.000 0.426 2803 L N 5.364 126.555 121.223 -0.054 0.000 2.307 2803 L HA 0.678 5.019 4.340 0.002 0.000 0.284 2803 L C -0.640 176.242 176.870 0.021 0.000 1.023 2803 L CA -0.805 54.034 54.840 -0.001 0.000 0.810 2803 L CB 1.996 43.952 42.059 -0.171 0.000 1.231 2803 L HN 0.328 nan 8.230 nan 0.000 0.423 2804 V N 4.292 124.255 119.914 0.082 0.000 2.384 2804 V HA 0.378 4.500 4.120 0.002 0.000 0.287 2804 V C -0.157 175.949 176.094 0.021 0.000 1.020 2804 V CA -0.560 61.727 62.300 -0.022 0.000 0.850 2804 V CB 2.149 33.896 31.823 -0.127 0.000 0.987 2804 V HN 0.439 nan 8.190 nan 0.000 0.436 2805 V N 4.316 124.260 119.914 0.049 0.000 2.326 2805 V HA 0.663 4.784 4.120 0.002 0.000 0.281 2805 V C -0.007 176.126 176.094 0.065 0.000 1.015 2805 V CA -0.161 62.194 62.300 0.092 0.000 0.823 2805 V CB 1.524 33.468 31.823 0.201 0.000 1.009 2805 V HN 0.921 nan 8.190 nan 0.000 0.436 2806 T N 3.079 117.624 114.554 -0.014 0.000 2.956 2806 T HA 0.563 4.915 4.350 0.002 0.000 0.312 2806 T C -0.157 174.551 174.700 0.013 0.000 1.151 2806 T CA -0.091 62.035 62.100 0.044 0.000 1.024 2806 T CB 1.843 70.775 68.868 0.106 0.000 1.140 2806 T HN 0.838 nan 8.240 nan 0.000 0.473 2807 S N 2.687 118.435 115.700 0.079 0.000 2.707 2807 S HA 0.787 5.259 4.470 0.002 0.000 0.276 2807 S C -0.226 174.449 174.600 0.125 0.000 1.179 2807 S CA -0.568 57.670 58.200 0.063 0.000 0.992 2807 S CB 1.394 64.684 63.200 0.149 0.000 1.030 2807 S HN 0.721 nan 8.310 nan 0.000 0.554 2808 T N 1.480 116.070 114.554 0.061 0.000 2.841 2808 T HA 0.669 5.020 4.350 0.002 0.000 0.283 2808 T C -1.313 173.386 174.700 -0.003 0.000 1.000 2808 T CA -0.173 61.966 62.100 0.066 0.000 0.977 2808 T CB 0.457 69.335 68.868 0.017 0.000 0.979 2808 T HN 0.485 nan 8.240 nan 0.000 0.446 2809 F N 0.726 120.587 119.950 -0.148 0.000 2.746 2809 F HA 0.733 5.262 4.527 0.003 0.000 0.378 2809 F C 1.456 177.185 175.800 -0.118 0.000 1.165 2809 F CA 0.516 58.414 58.000 -0.170 0.000 1.089 2809 F CB 0.852 39.751 39.000 -0.170 0.000 1.439 2809 F HN 0.804 nan 8.300 nan 0.000 0.516 2810 G N 1.538 110.362 108.800 0.040 0.000 2.629 2810 G HA2 -0.391 3.571 3.960 0.002 0.000 0.313 2810 G HA3 -0.391 3.571 3.960 0.002 0.000 0.313 2810 G C -0.114 174.824 174.900 0.063 0.000 1.217 2810 G CA 0.727 45.857 45.100 0.049 0.000 0.994 2810 G HN 0.829 nan 8.290 nan 0.000 0.549 2811 N N 1.330 120.119 118.700 0.150 0.000 2.757 2811 N HA 0.526 5.267 4.740 0.002 0.000 0.296 2811 N C 0.754 176.476 175.510 0.352 0.000 1.874 2811 N CA 1.401 54.592 53.050 0.235 0.000 0.885 2811 N CB 0.124 38.761 38.487 0.250 0.000 1.242 2811 N HN 1.978 nan 8.380 nan 0.000 0.488 2812 G N 0.478 109.441 108.800 0.272 0.000 2.179 2812 G HA2 -0.242 3.720 3.960 0.002 0.000 0.220 2812 G HA3 -0.242 3.720 3.960 0.002 0.000 0.220 2812 G C -0.410 174.715 174.900 0.375 0.000 0.990 2812 G CA -0.144 45.160 45.100 0.341 0.000 0.646 2812 G HN 0.518 nan 8.290 nan 0.000 0.517 2813 D N 1.636 122.177 120.400 0.234 0.000 2.344 2813 D HA 0.508 5.149 4.640 0.002 0.000 0.244 2813 D C -2.196 174.066 176.300 -0.064 0.000 1.134 2813 D CA -0.909 53.144 54.000 0.088 0.000 0.930 2813 D CB 0.830 41.641 40.800 0.019 0.000 1.175 2813 D HN 0.135 nan 8.370 nan 0.000 0.437 2814 P HA 0.165 nan 4.420 nan 0.000 0.275 2814 P C -2.395 174.586 177.300 -0.530 0.000 1.228 2814 P CA -1.093 61.457 63.100 -0.916 0.000 0.786 2814 P CB 0.198 31.080 31.700 -1.364 0.000 0.927 2815 P HA -0.063 nan 4.420 nan 0.000 0.271 2815 P C 0.775 177.883 177.300 -0.319 0.000 1.238 2815 P CA 0.196 63.118 63.100 -0.298 0.000 0.794 2815 P CB 0.977 32.521 31.700 -0.259 0.000 0.959 2816 E N 1.070 121.108 120.200 -0.270 0.000 2.023 2816 E HA -0.246 4.105 4.350 0.002 0.000 0.196 2816 E C 1.410 177.911 176.600 -0.165 0.000 1.003 2816 E CA 1.871 58.155 56.400 -0.192 0.000 0.809 2816 E CB -0.432 29.183 29.700 -0.141 0.000 0.755 2816 E HN 0.554 nan 8.360 nan 0.000 0.449 2817 N N -0.593 118.016 118.700 -0.152 0.000 2.635 2817 N HA -0.062 4.680 4.740 0.002 0.000 0.191 2817 N C 0.928 176.365 175.510 -0.122 0.000 1.155 2817 N CA 1.048 54.027 53.050 -0.117 0.000 0.927 2817 N CB -0.116 38.305 38.487 -0.109 0.000 0.976 2817 N HN 0.098 nan 8.380 nan 0.000 0.448 2818 G N -1.025 107.662 108.800 -0.189 0.000 3.774 2818 G HA2 0.070 4.032 3.960 0.002 0.000 0.287 2818 G HA3 0.070 4.032 3.960 0.002 0.000 0.287 2818 G C 0.870 175.640 174.900 -0.216 0.000 1.030 2818 G CA -0.308 44.679 45.100 -0.189 0.000 0.824 2818 G HN 0.239 nan 8.290 nan 0.000 0.518 2819 E N 1.082 121.188 120.200 -0.157 0.000 2.060 2819 E HA 0.086 4.438 4.350 0.002 0.000 0.189 2819 E C 2.307 178.897 176.600 -0.017 0.000 0.974 2819 E CA 0.881 57.203 56.400 -0.131 0.000 0.808 2819 E CB 0.025 29.651 29.700 -0.123 0.000 0.768 2819 E HN 0.270 nan 8.360 nan 0.000 0.453 2820 K N -0.343 120.068 120.400 0.019 0.000 1.987 2820 K HA -0.195 4.126 4.320 0.002 0.000 0.216 2820 K C 2.099 178.749 176.600 0.085 0.000 1.051 2820 K CA 1.741 58.053 56.287 0.040 0.000 0.942 2820 K CB -0.564 31.965 32.500 0.048 0.000 0.722 2820 K HN 0.120 nan 8.250 nan 0.000 0.444 2821 F N 1.329 121.290 119.950 0.018 0.000 2.087 2821 F HA -0.248 4.280 4.527 0.002 0.000 0.299 2821 F C 2.246 178.094 175.800 0.081 0.000 1.100 2821 F CA 1.968 60.002 58.000 0.056 0.000 1.226 2821 F CB -0.849 38.204 39.000 0.088 0.000 0.983 2821 F HN 0.143 nan 8.300 nan 0.000 0.479 2822 G N -0.691 108.347 108.800 0.397 0.000 2.545 2822 G HA2 -0.339 3.622 3.960 0.002 0.000 0.217 2822 G HA3 -0.339 3.622 3.960 0.002 0.000 0.217 2822 G C 1.751 176.732 174.900 0.135 0.000 1.218 2822 G CA 1.297 46.600 45.100 0.337 0.000 0.787 2822 G HN 0.510 nan 8.290 nan 0.000 0.571 2823 C N 1.053 120.386 119.300 0.054 0.000 2.435 2823 C HA 0.255 4.716 4.460 0.002 0.000 0.279 2823 C C 3.505 178.490 174.990 -0.008 0.000 1.321 2823 C CA 0.444 59.476 59.018 0.024 0.000 1.752 2823 C CB -1.097 26.643 27.740 0.000 0.000 1.959 2823 C HN 0.591 nan 8.230 nan 0.000 0.500 2824 A N 1.073 123.858 122.820 -0.057 0.000 1.883 2824 A HA -0.130 4.191 4.320 0.002 0.000 0.217 2824 A C 2.104 179.607 177.584 -0.134 0.000 1.186 2824 A CA 1.590 53.551 52.037 -0.127 0.000 0.624 2824 A CB -0.622 18.233 19.000 -0.241 0.000 0.822 2824 A HN 0.624 nan 8.150 nan 0.000 0.444 2825 L N -1.232 119.902 121.223 -0.147 0.000 2.141 2825 L HA -0.155 4.187 4.340 0.002 0.000 0.209 2825 L C 2.786 179.646 176.870 -0.018 0.000 1.094 2825 L CA 0.688 55.464 54.840 -0.107 0.000 0.763 2825 L CB -0.644 41.363 42.059 -0.087 0.000 0.908 2825 L HN 0.350 nan 8.230 nan 0.000 0.437 2826 M N 0.059 119.675 119.600 0.027 0.000 2.067 2826 M HA -0.202 4.279 4.480 0.002 0.000 0.260 2826 M C 2.283 178.610 176.300 0.045 0.000 1.069 2826 M CA 1.830 57.176 55.300 0.076 0.000 1.117 2826 M CB -0.789 31.879 32.600 0.114 0.000 1.334 2826 M HN 0.204 nan 8.290 nan 0.000 0.407 2827 E N 0.541 120.752 120.200 0.018 0.000 2.028 2827 E HA -0.157 4.194 4.350 0.002 0.000 0.190 2827 E C 2.070 178.668 176.600 -0.003 0.000 0.984 2827 E CA 1.517 57.922 56.400 0.008 0.000 0.800 2827 E CB -0.512 29.186 29.700 -0.003 0.000 0.758 2827 E HN 0.368 nan 8.360 nan 0.000 0.448 2828 M N 0.021 119.606 119.600 -0.025 0.000 2.108 2828 M HA -0.216 4.266 4.480 0.002 0.000 0.257 2828 M C 1.463 177.753 176.300 -0.017 0.000 1.071 2828 M CA 2.139 57.419 55.300 -0.034 0.000 1.093 2828 M CB -0.219 32.340 32.600 -0.069 0.000 1.345 2828 M HN 0.137 nan 8.290 nan 0.000 0.403 2841 Y N 2.194 122.533 120.300 0.066 0.000 1.977 2841 Y HA -0.294 4.258 4.550 0.003 0.000 0.264 2841 Y C 2.283 178.224 175.900 0.068 0.000 1.167 2841 Y CA 2.585 60.773 58.100 0.146 0.000 1.102 2841 Y CB -0.260 38.290 38.460 0.151 0.000 0.948 2841 Y HN 0.579 nan 8.280 nan 0.000 0.489 2842 K N -0.009 120.479 120.400 0.146 0.000 2.077 2842 K HA -0.227 4.094 4.320 0.002 0.000 0.213 2842 K C 2.125 178.608 176.600 -0.194 0.000 1.051 2842 K CA 1.673 57.936 56.287 -0.040 0.000 0.929 2842 K CB -1.234 31.281 32.500 0.026 0.000 0.715 2842 K HN 0.373 nan 8.250 nan 0.000 0.451 2843 V N 1.517 121.345 119.914 -0.144 0.000 2.221 2843 V HA -0.318 3.803 4.120 0.002 0.000 0.244 2843 V C 2.583 178.503 176.094 -0.291 0.000 1.043 2843 V CA 2.142 64.334 62.300 -0.180 0.000 0.996 2843 V CB -0.469 31.273 31.823 -0.136 0.000 0.636 2843 V HN 0.381 nan 8.190 nan 0.000 0.454 2844 R N -0.732 119.535 120.500 -0.390 0.000 2.096 2844 R HA -0.153 4.189 4.340 0.002 0.000 0.240 2844 R C 1.874 177.596 176.300 -0.963 0.000 1.139 2844 R CA 2.007 57.676 56.100 -0.719 0.000 0.952 2844 R CB -0.439 29.292 30.300 -0.949 0.000 0.854 2844 R HN 0.540 nan 8.270 nan 0.000 0.436 2845 F N -0.188 119.523 119.950 -0.398 0.000 2.647 2845 F HA 0.290 4.818 4.527 0.002 0.000 0.300 2845 F C 0.305 175.837 175.800 -0.448 0.000 1.106 2845 F CA -0.540 57.211 58.000 -0.415 0.000 1.313 2845 F CB 0.269 38.965 39.000 -0.506 0.000 1.007 2845 F HN -0.111 nan 8.300 nan 0.000 0.536 2878 R N 1.884 122.574 120.500 0.317 0.000 2.902 2878 R HA 0.936 5.278 4.340 0.002 0.000 0.258 2878 R C -0.957 175.540 176.300 0.329 0.000 1.071 2878 R CA -0.557 55.685 56.100 0.237 0.000 1.024 2878 R CB 2.006 32.465 30.300 0.266 0.000 1.184 2878 R HN 0.866 nan 8.270 nan 0.000 0.492 2879 F N -3.074 116.943 119.950 0.111 0.000 2.878 2879 F HA 0.560 5.088 4.527 0.003 0.000 0.322 2879 F C -1.386 174.480 175.800 0.111 0.000 1.154 2879 F CA -0.861 57.191 58.000 0.086 0.000 0.896 2879 F CB 1.223 40.264 39.000 0.068 0.000 1.313 2879 F HN 0.401 nan 8.300 nan 0.000 0.451 2880 S N 0.926 116.833 115.700 0.344 0.000 2.542 2880 S HA 0.763 5.235 4.470 0.002 0.000 0.276 2880 S C -2.127 172.760 174.600 0.477 0.000 1.148 2880 S CA -0.545 57.858 58.200 0.339 0.000 0.886 2880 S CB 1.690 65.071 63.200 0.302 0.000 1.109 2880 S HN 0.958 nan 8.310 nan 0.000 0.458 2881 V N 4.142 124.280 119.914 0.373 0.000 2.581 2881 V HA 0.700 4.822 4.120 0.002 0.000 0.303 2881 V C -0.991 175.034 176.094 -0.116 0.000 1.041 2881 V CA -0.691 61.687 62.300 0.130 0.000 0.907 2881 V CB 1.582 33.404 31.823 -0.001 0.000 0.994 2881 V HN 0.804 nan 8.190 nan 0.000 0.442 2882 F N 2.715 122.337 119.950 -0.546 0.000 2.496 2882 F HA 0.782 5.310 4.527 0.002 0.000 0.341 2882 F C 0.358 175.874 175.800 -0.473 0.000 1.134 2882 F CA -0.742 56.737 58.000 -0.869 0.000 0.968 2882 F CB 1.411 39.458 39.000 -1.589 0.000 1.205 2882 F HN 0.568 nan 8.300 nan 0.000 0.436 2883 G N 6.541 114.781 108.800 -0.932 0.000 2.370 2883 G HA2 0.555 4.516 3.960 0.002 0.000 0.317 2883 G HA3 0.555 4.516 3.960 0.002 0.000 0.317 2883 G C -1.312 173.118 174.900 -0.785 0.000 1.162 2883 G CA -0.572 44.108 45.100 -0.701 0.000 0.922 2883 G HN 0.473 nan 8.290 nan 0.000 0.454 2884 L N 1.802 122.738 121.223 -0.479 0.000 2.418 2884 L HA 0.797 5.138 4.340 0.002 0.000 0.265 2884 L C 1.051 177.748 176.870 -0.288 0.000 1.143 2884 L CA 0.626 55.281 54.840 -0.309 0.000 0.809 2884 L CB 1.192 43.220 42.059 -0.052 0.000 1.124 2884 L HN 0.775 nan 8.230 nan 0.000 0.456 2885 G N -0.119 108.553 108.800 -0.214 0.000 2.510 2885 G HA2 0.533 4.494 3.960 0.002 0.000 0.277 2885 G HA3 0.533 4.494 3.960 0.002 0.000 0.277 2885 G C -1.608 173.368 174.900 0.126 0.000 1.223 2885 G CA -0.107 44.874 45.100 -0.198 0.000 0.887 2885 G HN 0.591 nan 8.290 nan 0.000 0.485 2886 S N -1.296 114.635 115.700 0.386 0.000 2.562 2886 S HA 0.428 4.899 4.470 0.002 0.000 0.274 2886 S C 0.378 175.326 174.600 0.579 0.000 1.160 2886 S CA -0.488 58.012 58.200 0.499 0.000 0.933 2886 S CB 1.563 64.982 63.200 0.365 0.000 1.100 2886 S HN 0.592 nan 8.310 nan 0.000 0.468 2887 R N 2.305 122.896 120.500 0.152 0.000 2.346 2887 R HA 0.069 4.411 4.340 0.002 0.000 0.199 2887 R C 1.542 177.811 176.300 -0.051 0.000 1.015 2887 R CA 0.780 56.742 56.100 -0.230 0.000 1.058 2887 R CB -0.219 29.819 30.300 -0.438 0.000 0.921 2887 R HN 0.588 nan 8.270 nan 0.000 0.475 2888 A N -0.214 122.645 122.820 0.064 0.000 2.178 2888 A HA 0.054 4.376 4.320 0.002 0.000 0.211 2888 A C 0.046 177.494 177.584 -0.227 0.000 1.157 2888 A CA 0.285 52.257 52.037 -0.108 0.000 0.780 2888 A CB 0.227 19.124 19.000 -0.171 0.000 0.828 2888 A HN 0.159 nan 8.150 nan 0.000 0.476 2889 Y N -0.991 119.315 120.300 0.009 0.000 2.360 2889 Y HA 0.373 4.925 4.550 0.003 0.000 0.337 2889 Y C -1.489 174.406 175.900 -0.008 0.000 1.039 2889 Y CA -2.218 55.878 58.100 -0.007 0.000 1.109 2889 Y CB 1.104 39.574 38.460 0.018 0.000 1.201 2889 Y HN 0.026 nan 8.280 nan 0.000 0.458 2890 P HA -0.234 nan 4.420 nan 0.000 0.214 2890 P C -0.006 177.249 177.300 -0.074 0.000 1.172 2890 P CA 1.816 64.813 63.100 -0.172 0.000 0.925 2890 P CB 0.144 31.558 31.700 -0.475 0.000 0.793 2891 H N -1.623 117.559 119.070 0.186 0.000 2.680 2891 H HA 0.151 4.708 4.556 0.002 0.000 0.224 2891 H C 0.078 175.549 175.328 0.239 0.000 1.866 2891 H CA -1.212 54.944 56.048 0.181 0.000 1.302 2891 H CB -1.706 28.141 29.762 0.142 0.000 1.709 2891 H HN 0.092 nan 8.280 nan 0.000 0.537 2892 F N 1.278 121.338 119.950 0.184 0.000 2.612 2892 F HA -0.083 4.445 4.527 0.003 0.000 0.389 2892 F C 0.843 176.768 175.800 0.208 0.000 1.055 2892 F CA -0.151 57.944 58.000 0.159 0.000 1.232 2892 F CB 0.222 39.299 39.000 0.129 0.000 1.044 2892 F HN 0.611 nan 8.300 nan 0.000 0.560 2893 C N 4.558 123.591 119.300 -0.444 0.000 4.184 2893 C HA -0.269 4.193 4.460 0.002 0.000 0.295 2893 C C 2.148 177.115 174.990 -0.039 0.000 1.477 2893 C CA 0.468 59.235 59.018 -0.419 0.000 2.037 2893 C CB -3.066 24.204 27.740 -0.783 0.000 1.282 2893 C HN 1.094 nan 8.230 nan 0.000 0.783 2894 A N -0.357 122.543 122.820 0.134 0.000 1.915 2894 A HA -0.243 4.078 4.320 0.002 0.000 0.220 2894 A C 1.567 179.276 177.584 0.208 0.000 1.198 2894 A CA 2.413 54.586 52.037 0.227 0.000 0.647 2894 A CB -0.596 18.565 19.000 0.269 0.000 0.825 2894 A HN 0.774 nan 8.150 nan 0.000 0.456 2895 F N 0.808 120.785 119.950 0.044 0.000 2.113 2895 F HA 0.055 4.584 4.527 0.003 0.000 0.297 2895 F C 2.405 178.129 175.800 -0.126 0.000 1.103 2895 F CA 1.234 59.243 58.000 0.016 0.000 1.248 2895 F CB -0.953 38.051 39.000 0.007 0.000 0.999 2895 F HN 0.196 nan 8.300 nan 0.000 0.475 2896 G N -0.827 107.805 108.800 -0.280 0.000 2.440 2896 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 2896 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 2896 G C 1.610 176.251 174.900 -0.432 0.000 1.154 2896 G CA 1.021 45.844 45.100 -0.460 0.000 0.767 2896 G HN 0.444 nan 8.290 nan 0.000 0.552 2897 H N 0.560 119.487 119.070 -0.237 0.000 2.457 2897 H HA 0.106 4.663 4.556 0.002 0.000 0.294 2897 H C 2.768 177.864 175.328 -0.387 0.000 1.064 2897 H CA 1.021 56.970 56.048 -0.165 0.000 1.330 2897 H CB -0.108 29.648 29.762 -0.009 0.000 1.395 2897 H HN 0.419 nan 8.280 nan 0.000 0.541 2898 A N 0.392 122.829 122.820 -0.639 0.000 1.878 2898 A HA -0.036 4.286 4.320 0.002 0.000 0.213 2898 A C 2.734 179.811 177.584 -0.844 0.000 1.192 2898 A CA 1.012 52.105 52.037 -1.574 0.000 0.619 2898 A CB -0.630 17.663 19.000 -1.179 0.000 0.837 2898 A HN 0.183 nan 8.150 nan 0.000 0.446 2899 V N 1.001 120.518 119.914 -0.662 0.000 2.407 2899 V HA -0.268 3.854 4.120 0.002 0.000 0.248 2899 V C 2.318 178.206 176.094 -0.344 0.000 1.055 2899 V CA 2.493 64.491 62.300 -0.503 0.000 1.049 2899 V CB -0.900 30.526 31.823 -0.661 0.000 0.662 2899 V HN 0.728 nan 8.190 nan 0.000 0.455 2900 D N 0.185 120.430 120.400 -0.257 0.000 2.097 2900 D HA -0.167 4.474 4.640 0.002 0.000 0.195 2900 D C 2.154 178.475 176.300 0.035 0.000 0.989 2900 D CA 2.004 55.987 54.000 -0.028 0.000 0.827 2900 D CB -0.150 40.693 40.800 0.071 0.000 0.966 2900 D HN 0.396 nan 8.370 nan 0.000 0.456 2901 T N 0.044 114.597 114.554 -0.002 0.000 2.746 2901 T HA -0.068 4.283 4.350 0.002 0.000 0.267 2901 T C 1.967 176.716 174.700 0.082 0.000 1.039 2901 T CA 1.007 63.182 62.100 0.124 0.000 1.142 2901 T CB -0.235 68.836 68.868 0.338 0.000 0.866 2901 T HN 0.172 nan 8.240 nan 0.000 0.444 2902 L N 0.153 121.360 121.223 -0.027 0.000 2.240 2902 L HA 0.125 4.467 4.340 0.002 0.000 0.211 2902 L C 2.372 179.188 176.870 -0.091 0.000 1.106 2902 L CA 0.516 55.343 54.840 -0.022 0.000 0.793 2902 L CB -0.557 41.478 42.059 -0.039 0.000 0.927 2902 L HN 0.210 nan 8.230 nan 0.000 0.446 2903 L N 0.009 121.090 121.223 -0.236 0.000 2.046 2903 L HA -0.227 4.114 4.340 0.002 0.000 0.208 2903 L C 2.672 179.430 176.870 -0.186 0.000 1.077 2903 L CA 1.357 55.934 54.840 -0.437 0.000 0.747 2903 L CB -0.307 40.975 42.059 -1.296 0.000 0.896 2903 L HN 0.312 nan 8.230 nan 0.000 0.432 2904 E N 0.458 120.671 120.200 0.022 0.000 2.085 2904 E HA -0.260 4.091 4.350 0.002 0.000 0.194 2904 E C 1.327 177.995 176.600 0.114 0.000 0.994 2904 E CA 1.423 57.951 56.400 0.214 0.000 0.801 2904 E CB 0.061 29.907 29.700 0.243 0.000 0.743 2904 E HN 0.532 nan 8.360 nan 0.000 0.453 2905 E N -0.105 120.136 120.200 0.068 0.000 2.405 2905 E HA -0.025 4.326 4.350 0.002 0.000 0.194 2905 E C 0.013 176.630 176.600 0.028 0.000 1.149 2905 E CA 0.092 56.524 56.400 0.053 0.000 0.933 2905 E CB 0.090 29.823 29.700 0.056 0.000 1.028 2905 E HN 0.286 nan 8.360 nan 0.000 0.487 2906 L N -0.108 121.128 121.223 0.023 0.000 2.980 2906 L HA 0.308 4.650 4.340 0.002 0.000 0.314 2906 L C 0.497 177.383 176.870 0.027 0.000 1.303 2906 L CA -0.576 54.266 54.840 0.004 0.000 0.785 2906 L CB 0.800 42.837 42.059 -0.037 0.000 1.190 2906 L HN 0.169 nan 8.230 nan 0.000 0.567 2907 G N 0.418 109.250 108.800 0.053 0.000 2.314 2907 G HA2 -0.185 3.777 3.960 0.002 0.000 0.292 2907 G HA3 -0.185 3.777 3.960 0.002 0.000 0.292 2907 G C 0.290 175.260 174.900 0.117 0.000 1.059 2907 G CA 0.219 45.361 45.100 0.071 0.000 0.982 2907 G HN 0.662 nan 8.290 nan 0.000 0.505 2908 G N -0.895 108.010 108.800 0.175 0.000 2.461 2908 G HA2 0.659 4.621 3.960 0.002 0.000 0.323 2908 G HA3 0.659 4.621 3.960 0.002 0.000 0.323 2908 G C -0.699 174.425 174.900 0.374 0.000 1.229 2908 G CA -0.186 45.125 45.100 0.351 0.000 0.941 2908 G HN 0.461 nan 8.290 nan 0.000 0.477 2909 E N 1.444 121.797 120.200 0.256 0.000 2.165 2909 E HA 0.323 4.675 4.350 0.002 0.000 0.266 2909 E C -0.148 176.233 176.600 -0.365 0.000 0.889 2909 E CA -0.804 55.598 56.400 0.003 0.000 0.756 2909 E CB 1.312 31.006 29.700 -0.009 0.000 1.131 2909 E HN 0.439 nan 8.360 nan 0.000 0.411 2910 R N 5.317 125.521 120.500 -0.494 0.000 2.316 2910 R HA 0.181 4.522 4.340 0.002 0.000 0.314 2910 R C 0.815 176.896 176.300 -0.365 0.000 1.069 2910 R CA -0.015 55.630 56.100 -0.758 0.000 0.959 2910 R CB 0.480 30.513 30.300 -0.444 0.000 0.987 2910 R HN 0.724 nan 8.270 nan 0.000 0.446 2911 I N 3.350 123.723 120.570 -0.328 0.000 2.201 2911 I HA -0.134 4.037 4.170 0.002 0.000 0.233 2911 I C 0.683 176.756 176.117 -0.073 0.000 1.067 2911 I CA 0.743 61.960 61.300 -0.138 0.000 1.354 2911 I CB -0.053 37.913 38.000 -0.057 0.000 1.108 2911 I HN 0.428 nan 8.210 nan 0.000 0.411 2912 L N 0.552 121.764 121.223 -0.018 0.000 2.322 2912 L HA 0.319 4.660 4.340 0.002 0.000 0.269 2912 L C 0.122 177.068 176.870 0.128 0.000 1.012 2912 L CA -0.488 54.388 54.840 0.060 0.000 0.815 2912 L CB 1.263 43.368 42.059 0.077 0.000 1.295 2912 L HN 0.000 nan 8.230 nan 0.000 0.438 2913 K N 4.231 124.718 120.400 0.146 0.000 2.447 2913 K HA 0.082 4.404 4.320 0.002 0.000 0.281 2913 K C 0.023 176.769 176.600 0.242 0.000 1.031 2913 K CA -0.262 56.124 56.287 0.165 0.000 1.019 2913 K CB 0.396 32.984 32.500 0.146 0.000 0.918 2913 K HN 0.770 nan 8.250 nan 0.000 0.476 2914 M N 4.419 124.141 119.600 0.204 0.000 2.290 2914 M HA -0.051 4.430 4.480 0.002 0.000 0.356 2914 M C -0.173 176.195 176.300 0.113 0.000 1.448 2914 M CA 0.900 56.288 55.300 0.148 0.000 0.993 2914 M CB 0.252 32.894 32.600 0.070 0.000 1.934 2914 M HN 0.644 nan 8.290 nan 0.000 0.461 2915 R N 2.833 123.357 120.500 0.040 0.000 2.674 2915 R HA 0.417 4.759 4.340 0.002 0.000 0.266 2915 R C -0.948 175.216 176.300 -0.226 0.000 1.016 2915 R CA -0.414 55.737 56.100 0.084 0.000 1.062 2915 R CB 1.360 31.858 30.300 0.330 0.000 1.142 2915 R HN 0.650 nan 8.270 nan 0.000 0.517 2916 E N -0.551 119.585 120.200 -0.105 0.000 2.227 2916 E HA 0.478 4.830 4.350 0.002 0.000 0.268 2916 E C -0.841 175.658 176.600 -0.169 0.000 0.907 2916 E CA -0.987 55.252 56.400 -0.268 0.000 0.786 2916 E CB 2.145 31.938 29.700 0.154 0.000 1.191 2916 E HN 0.659 nan 8.360 nan 0.000 0.411 2917 G N 1.621 110.226 108.800 -0.324 0.000 2.938 2917 G HA2 0.172 4.133 3.960 0.002 0.000 0.308 2917 G HA3 0.172 4.133 3.960 0.002 0.000 0.308 2917 G C -1.129 173.875 174.900 0.173 0.000 1.422 2917 G CA -0.528 44.578 45.100 0.009 0.000 1.071 2917 G HN 0.373 nan 8.290 nan 0.000 0.530 2918 D N 1.881 122.488 120.400 0.345 0.000 2.338 2918 D HA 0.043 4.685 4.640 0.002 0.000 0.255 2918 D C 1.519 178.006 176.300 0.312 0.000 1.237 2918 D CA -0.399 53.838 54.000 0.394 0.000 0.883 2918 D CB 1.369 42.343 40.800 0.290 0.000 1.087 2918 D HN 0.587 nan 8.370 nan 0.000 0.485 2919 E N 3.567 123.947 120.200 0.299 0.000 2.273 2919 E HA -0.183 4.169 4.350 0.002 0.000 0.198 2919 E C 1.056 177.920 176.600 0.440 0.000 1.002 2919 E CA 1.340 57.926 56.400 0.310 0.000 0.828 2919 E CB -0.060 29.795 29.700 0.259 0.000 0.747 2919 E HN 0.631 nan 8.360 nan 0.000 0.491 2920 L N -0.770 120.682 121.223 0.382 0.000 2.477 2920 L HA 0.189 4.531 4.340 0.002 0.000 0.220 2920 L C 0.410 177.556 176.870 0.460 0.000 1.106 2920 L CA -0.120 54.971 54.840 0.417 0.000 0.851 2920 L CB 0.580 42.717 42.059 0.130 0.000 0.994 2920 L HN 0.264 nan 8.230 nan 0.000 0.462 2921 C N 0.458 119.963 119.300 0.341 0.000 2.968 2921 C HA 0.507 4.968 4.460 0.002 0.000 0.389 2921 C C 0.864 175.997 174.990 0.239 0.000 1.068 2921 C CA -0.240 58.947 59.018 0.283 0.000 1.272 2921 C CB -0.046 27.811 27.740 0.195 0.000 1.711 2921 C HN 0.710 nan 8.230 nan 0.000 0.501 2922 G N 5.425 114.368 108.800 0.239 0.000 2.298 2922 G HA2 -0.283 3.678 3.960 0.002 0.000 0.287 2922 G HA3 -0.283 3.678 3.960 0.002 0.000 0.287 2922 G C 0.449 175.494 174.900 0.242 0.000 1.075 2922 G CA 1.071 46.302 45.100 0.217 0.000 0.960 2922 G HN 1.115 nan 8.290 nan 0.000 0.502 2923 Q N -0.517 119.443 119.800 0.267 0.000 1.941 2923 Q HA -0.068 4.274 4.340 0.002 0.000 0.201 2923 Q C 2.272 178.454 176.000 0.304 0.000 0.982 2923 Q CA 1.827 57.813 55.803 0.306 0.000 0.839 2923 Q CB -0.210 28.719 28.738 0.318 0.000 0.904 2923 Q HN 0.489 nan 8.270 nan 0.000 0.427 2924 E N 0.293 120.663 120.200 0.284 0.000 2.273 2924 E HA -0.272 4.079 4.350 0.002 0.000 0.198 2924 E C 1.605 178.308 176.600 0.172 0.000 1.002 2924 E CA 1.689 58.232 56.400 0.239 0.000 0.828 2924 E CB -0.082 29.725 29.700 0.178 0.000 0.747 2924 E HN 0.478 nan 8.360 nan 0.000 0.491 2925 E N -0.009 120.286 120.200 0.158 0.000 2.028 2925 E HA -0.050 4.301 4.350 0.002 0.000 0.190 2925 E C 1.892 178.558 176.600 0.110 0.000 0.984 2925 E CA 1.672 58.141 56.400 0.116 0.000 0.800 2925 E CB -0.762 29.013 29.700 0.125 0.000 0.758 2925 E HN 0.222 nan 8.360 nan 0.000 0.448 2926 A N -0.217 122.712 122.820 0.182 0.000 2.015 2926 A HA -0.046 4.276 4.320 0.002 0.000 0.219 2926 A C 2.138 179.765 177.584 0.071 0.000 1.163 2926 A CA 1.274 53.437 52.037 0.210 0.000 0.646 2926 A CB -0.916 18.297 19.000 0.354 0.000 0.806 2926 A HN 0.471 nan 8.150 nan 0.000 0.448 2927 F N 0.622 120.444 119.950 -0.214 0.000 2.074 2927 F HA -0.080 4.449 4.527 0.003 0.000 0.293 2927 F C 2.302 177.896 175.800 -0.344 0.000 1.116 2927 F CA 1.681 59.235 58.000 -0.743 0.000 1.212 2927 F CB -0.450 37.990 39.000 -0.935 0.000 0.998 2927 F HN 0.093 nan 8.300 nan 0.000 0.471 2928 R N -0.126 120.148 120.500 -0.376 0.000 2.113 2928 R HA -0.181 4.161 4.340 0.002 0.000 0.244 2928 R C 2.134 178.240 176.300 -0.323 0.000 1.142 2928 R CA 2.275 58.153 56.100 -0.370 0.000 0.953 2928 R CB -1.079 29.156 30.300 -0.109 0.000 0.860 2928 R HN 0.342 nan 8.270 nan 0.000 0.438 2929 T N -0.056 114.392 114.554 -0.177 0.000 2.588 2929 T HA -0.225 4.127 4.350 0.002 0.000 0.261 2929 T C 1.234 175.859 174.700 -0.126 0.000 1.069 2929 T CA 1.494 63.534 62.100 -0.099 0.000 1.172 2929 T CB -0.611 68.258 68.868 0.001 0.000 0.863 2929 T HN 0.543 nan 8.240 nan 0.000 0.408 2930 W N 2.293 123.423 121.300 -0.283 0.000 2.308 2930 W HA -0.225 4.437 4.660 0.002 0.000 0.301 2930 W C 2.430 178.755 176.519 -0.323 0.000 1.220 2930 W CA 1.499 58.687 57.345 -0.261 0.000 1.240 2930 W CB -0.525 28.743 29.460 -0.320 0.000 1.142 2930 W HN 0.309 nan 8.180 nan 0.000 0.521 2931 A N 0.669 123.168 122.820 -0.535 0.000 1.877 2931 A HA -0.216 4.105 4.320 0.002 0.000 0.216 2931 A C 2.080 179.373 177.584 -0.485 0.000 1.186 2931 A CA 1.989 53.590 52.037 -0.727 0.000 0.620 2931 A CB -0.708 17.764 19.000 -0.881 0.000 0.822 2931 A HN 0.219 nan 8.150 nan 0.000 0.443 2932 K N -0.136 120.063 120.400 -0.335 0.000 2.062 2932 K HA -0.030 4.291 4.320 0.002 0.000 0.205 2932 K C 1.848 178.358 176.600 -0.149 0.000 1.051 2932 K CA 0.985 57.166 56.287 -0.176 0.000 0.941 2932 K CB -0.278 32.149 32.500 -0.122 0.000 0.719 2932 K HN 0.331 nan 8.250 nan 0.000 0.440 2933 K N 0.850 121.126 120.400 -0.206 0.000 2.147 2933 K HA -0.048 4.273 4.320 0.002 0.000 0.205 2933 K C 2.099 178.563 176.600 -0.227 0.000 1.049 2933 K CA 0.801 56.984 56.287 -0.173 0.000 0.936 2933 K CB -0.309 32.115 32.500 -0.126 0.000 0.722 2933 K HN -0.025 nan 8.250 nan 0.000 0.446 2934 V N 0.578 120.242 119.914 -0.416 0.000 2.788 2934 V HA -0.110 4.012 4.120 0.002 0.000 0.251 2934 V C 1.952 177.995 176.094 -0.084 0.000 1.068 2934 V CA 0.729 62.813 62.300 -0.359 0.000 1.090 2934 V CB -0.571 30.769 31.823 -0.806 0.000 0.710 2934 V HN 0.056 nan 8.190 nan 0.000 0.467 2935 F N 2.139 121.890 119.950 -0.331 0.000 2.084 2935 F HA -0.086 4.442 4.527 0.002 0.000 0.296 2935 F C 2.355 177.983 175.800 -0.286 0.000 1.111 2935 F CA 2.120 59.796 58.000 -0.539 0.000 1.224 2935 F CB -0.314 38.350 39.000 -0.559 0.000 0.991 2935 F HN 0.027 nan 8.300 nan 0.000 0.471 2936 K N 0.995 121.251 120.400 -0.241 0.000 2.026 2936 K HA -0.074 4.247 4.320 0.002 0.000 0.208 2936 K C 2.161 178.656 176.600 -0.175 0.000 1.048 2936 K CA 1.640 57.769 56.287 -0.264 0.000 0.929 2936 K CB -1.053 31.367 32.500 -0.134 0.000 0.713 2936 K HN 0.263 nan 8.250 nan 0.000 0.439 2937 A N 0.467 123.220 122.820 -0.112 0.000 1.892 2937 A HA -0.154 4.168 4.320 0.002 0.000 0.218 2937 A C 2.387 179.976 177.584 0.009 0.000 1.188 2937 A CA 2.519 54.523 52.037 -0.056 0.000 0.631 2937 A CB -1.151 17.816 19.000 -0.056 0.000 0.822 2937 A HN 0.449 nan 8.150 nan 0.000 0.447 2938 A N -1.714 121.155 122.820 0.081 0.000 1.970 2938 A HA -0.038 4.283 4.320 0.002 0.000 0.216 2938 A C 2.234 180.092 177.584 0.456 0.000 1.170 2938 A CA 1.285 53.520 52.037 0.328 0.000 0.645 2938 A CB -1.161 18.049 19.000 0.351 0.000 0.816 2938 A HN 0.583 nan 8.150 nan 0.000 0.447 2939 C N -0.336 119.035 119.300 0.118 0.000 2.403 2939 C HA -0.134 4.327 4.460 0.002 0.000 0.277 2939 C C 2.303 177.281 174.990 -0.020 0.000 1.248 2939 C CA 1.434 60.416 59.018 -0.060 0.000 1.762 2939 C CB -0.912 26.559 27.740 -0.448 0.000 2.014 2939 C HN 0.592 nan 8.230 nan 0.000 0.486 2940 D N -0.581 119.806 120.400 -0.021 0.000 2.262 2940 D HA -0.006 4.636 4.640 0.002 0.000 0.212 2940 D C 2.169 178.458 176.300 -0.019 0.000 0.964 2940 D CA 0.645 54.626 54.000 -0.033 0.000 0.875 2940 D CB -0.047 40.717 40.800 -0.060 0.000 0.996 2940 D HN 0.242 nan 8.370 nan 0.000 0.497 2941 V N 0.969 120.870 119.914 -0.022 0.000 2.317 2941 V HA -0.254 3.867 4.120 0.002 0.000 0.251 2941 V C 1.704 177.639 176.094 -0.266 0.000 1.065 2941 V CA 1.581 63.784 62.300 -0.161 0.000 1.049 2941 V CB -0.458 31.231 31.823 -0.223 0.000 0.651 2941 V HN 0.145 nan 8.190 nan 0.000 0.450 2942 F N -1.512 118.489 119.950 0.085 0.000 2.732 2942 F HA 0.281 4.810 4.527 0.002 0.000 0.303 2942 F C 1.191 176.986 175.800 -0.007 0.000 1.110 2942 F CA -0.133 57.920 58.000 0.089 0.000 1.355 2942 F CB -0.527 38.620 39.000 0.246 0.000 1.081 2942 F HN 0.092 nan 8.300 nan 0.000 0.565 2943 C N 1.687 121.029 119.300 0.069 0.000 3.690 2943 C HA -0.066 4.396 4.460 0.002 0.000 0.295 2943 C C 0.575 175.542 174.990 -0.038 0.000 1.283 2943 C CA -0.557 58.461 59.018 -0.000 0.000 2.212 2943 C CB -3.360 24.376 27.740 -0.007 0.000 1.407 2943 C HN 0.303 nan 8.230 nan 0.000 0.595 2944 V N 0.049 119.910 119.914 -0.089 0.000 2.732 2944 V HA 1.013 5.134 4.120 0.002 0.000 0.310 2944 V C 0.835 176.862 176.094 -0.112 0.000 1.053 2944 V CA 0.383 62.603 62.300 -0.133 0.000 0.957 2944 V CB 1.866 33.548 31.823 -0.234 0.000 1.018 2944 V HN 0.682 nan 8.190 nan 0.000 0.452 2945 G N 2.027 110.769 108.800 -0.096 0.000 2.722 2945 G HA2 0.240 4.201 3.960 0.002 0.000 0.201 2945 G HA3 0.240 4.201 3.960 0.002 0.000 0.201 2945 G C -0.542 174.306 174.900 -0.086 0.000 1.926 2945 G CA 0.123 45.174 45.100 -0.081 0.000 0.872 2945 G HN 0.796 nan 8.290 nan 0.000 0.581 2946 D N 1.322 121.679 120.400 -0.072 0.000 2.443 2946 D HA 0.540 5.181 4.640 0.002 0.000 0.221 2946 D C -0.953 175.306 176.300 -0.068 0.000 1.097 2946 D CA -0.202 53.758 54.000 -0.066 0.000 0.865 2946 D CB 1.798 42.567 40.800 -0.052 0.000 1.034 2946 D HN 0.010 nan 8.370 nan 0.000 0.511 2947 D N 0.165 120.520 120.400 -0.075 0.000 2.523 2947 D HA 0.167 4.809 4.640 0.002 0.000 0.236 2947 D C 0.128 176.394 176.300 -0.056 0.000 1.094 2947 D CA -0.921 53.038 54.000 -0.068 0.000 0.942 2947 D CB 2.755 43.507 40.800 -0.079 0.000 1.447 2947 D HN -0.072 nan 8.370 nan 0.000 0.479 2948 V N 2.861 122.734 119.914 -0.069 0.000 2.540 2948 V HA -0.136 3.985 4.120 0.002 0.000 0.218 2948 V C 1.188 177.248 176.094 -0.057 0.000 1.359 2948 V CA 0.667 62.906 62.300 -0.102 0.000 1.435 2948 V CB -1.502 30.202 31.823 -0.199 0.000 1.377 2948 V HN 0.322 nan 8.190 nan 0.000 0.495 2949 N N 1.960 120.664 118.700 0.006 0.000 2.597 2949 N HA 0.305 5.047 4.740 0.002 0.000 0.269 2949 N C 0.755 176.299 175.510 0.056 0.000 1.204 2949 N CA 0.099 53.208 53.050 0.097 0.000 0.947 2949 N CB 0.768 39.280 38.487 0.043 0.000 1.258 2949 N HN 0.697 nan 8.380 nan 0.000 0.508 2950 I N -0.885 119.690 120.570 0.009 0.000 4.779 2950 I HA 0.023 4.194 4.170 0.002 0.000 0.339 2950 I C 1.921 178.028 176.117 -0.017 0.000 1.293 2950 I CA 0.239 61.535 61.300 -0.006 0.000 1.324 2950 I CB 0.277 38.262 38.000 -0.024 0.000 1.424 2950 I HN -0.010 nan 8.210 nan 0.000 0.489 2951 E N 2.060 122.230 120.200 -0.050 0.000 2.058 2951 E HA -0.136 4.215 4.350 0.002 0.000 0.194 2951 E C 1.595 178.224 176.600 0.049 0.000 0.997 2951 E CA 1.668 58.041 56.400 -0.045 0.000 0.801 2951 E CB -0.939 28.625 29.700 -0.228 0.000 0.746 2951 E HN 0.573 nan 8.360 nan 0.000 0.450 2960 N N 1.708 120.425 118.700 0.028 0.000 2.604 2960 N HA 0.531 5.272 4.740 0.002 0.000 0.297 2960 N C 0.558 176.084 175.510 0.027 0.000 1.266 2960 N CA -0.221 52.844 53.050 0.025 0.000 0.961 2960 N CB 0.008 38.504 38.487 0.015 0.000 1.166 2960 N HN 0.492 nan 8.380 nan 0.000 0.601 2961 D N -0.291 120.119 120.400 0.017 0.000 2.106 2961 D HA -0.131 4.510 4.640 0.002 0.000 0.191 2961 D C 2.326 178.628 176.300 0.004 0.000 0.997 2961 D CA 2.338 56.338 54.000 0.000 0.000 0.834 2961 D CB -0.593 40.203 40.800 -0.007 0.000 0.956 2961 D HN 0.729 nan 8.370 nan 0.000 0.448 2962 R N 0.892 121.405 120.500 0.022 0.000 2.377 2962 R HA 0.164 4.505 4.340 0.002 0.000 0.207 2962 R C 1.334 177.696 176.300 0.104 0.000 1.075 2962 R CA 1.217 57.346 56.100 0.047 0.000 1.035 2962 R CB -1.657 28.670 30.300 0.046 0.000 0.857 2962 R HN 0.422 nan 8.270 nan 0.000 0.475 2963 S N -0.298 115.462 115.700 0.100 0.000 2.537 2963 S HA 0.438 4.909 4.470 0.002 0.000 0.275 2963 S C -0.121 174.623 174.600 0.240 0.000 1.272 2963 S CA -0.891 57.410 58.200 0.168 0.000 1.050 2963 S CB 0.021 63.297 63.200 0.126 0.000 0.961 2963 S HN 0.655 nan 8.310 nan 0.000 0.496 2964 W N 3.258 124.662 121.300 0.173 0.000 2.560 2964 W HA 0.218 4.879 4.660 0.002 0.000 0.335 2964 W C 0.380 176.987 176.519 0.148 0.000 1.147 2964 W CA 1.037 58.537 57.345 0.259 0.000 1.277 2964 W CB 0.322 29.934 29.460 0.253 0.000 1.152 2964 W HN 0.720 nan 8.180 nan 0.000 0.561 2965 K N 2.608 122.630 120.400 -0.630 0.000 2.261 2965 K HA 0.397 4.718 4.320 0.002 0.000 0.242 2965 K C 0.195 176.017 176.600 -1.297 0.000 1.083 2965 K CA -1.052 54.807 56.287 -0.714 0.000 0.880 2965 K CB 1.356 33.627 32.500 -0.382 0.000 1.353 2965 K HN 0.191 nan 8.250 nan 0.000 0.486 2966 R N 0.573 120.611 120.500 -0.769 0.000 2.466 2966 R HA 0.253 4.594 4.340 0.002 0.000 0.279 2966 R C -0.172 175.992 176.300 -0.226 0.000 0.976 2966 R CA 0.445 56.203 56.100 -0.569 0.000 1.081 2966 R CB -0.269 29.871 30.300 -0.266 0.000 1.215 2966 R HN 0.426 nan 8.270 nan 0.000 0.546 2967 N N -0.189 118.368 118.700 -0.238 0.000 2.330 2967 N HA -0.007 4.735 4.740 0.002 0.000 0.249 2967 N C 0.101 175.473 175.510 -0.231 0.000 1.413 2967 N CA 0.153 53.172 53.050 -0.052 0.000 0.817 2967 N CB 0.587 39.070 38.487 -0.006 0.000 1.362 2967 N HN 0.068 nan 8.380 nan 0.000 0.499 2968 K N -0.348 119.791 120.400 -0.436 0.000 2.354 2968 K HA 0.277 4.599 4.320 0.002 0.000 0.194 2968 K C -0.678 175.412 176.600 -0.851 0.000 1.038 2968 K CA 0.530 56.355 56.287 -0.771 0.000 1.052 2968 K CB 0.309 32.273 32.500 -0.893 0.000 0.861 2968 K HN 0.005 nan 8.250 nan 0.000 0.535 2969 F N 0.958 120.921 119.950 0.023 0.000 2.591 2969 F HA 0.496 5.024 4.527 0.002 0.000 0.309 2969 F C -0.373 175.672 175.800 0.408 0.000 1.098 2969 F CA -1.254 56.900 58.000 0.256 0.000 0.937 2969 F CB 1.852 40.989 39.000 0.229 0.000 1.250 2969 F HN -0.214 nan 8.300 nan 0.000 0.447 2970 R N 3.258 124.128 120.500 0.616 0.000 2.680 2970 R HA 0.564 4.906 4.340 0.002 0.000 0.269 2970 R C -2.524 173.868 176.300 0.153 0.000 1.026 2970 R CA -0.772 55.495 56.100 0.279 0.000 0.889 2970 R CB 1.742 32.026 30.300 -0.026 0.000 1.241 2970 R HN 0.826 nan 8.270 nan 0.000 0.463 2971 L N 3.272 124.529 121.223 0.056 0.000 2.287 2971 L HA 0.326 4.667 4.340 0.002 0.000 0.280 2971 L C 0.086 176.921 176.870 -0.058 0.000 1.055 2971 L CA -0.777 54.052 54.840 -0.018 0.000 0.863 2971 L CB 1.444 43.464 42.059 -0.065 0.000 1.245 2971 L HN 0.733 nan 8.230 nan 0.000 0.432 2972 T N -1.438 113.098 114.554 -0.031 0.000 2.767 2972 T HA 0.416 4.767 4.350 0.002 0.000 0.288 2972 T C 0.022 174.746 174.700 0.040 0.000 0.963 2972 T CA -0.593 61.517 62.100 0.016 0.000 1.019 2972 T CB 0.525 69.395 68.868 0.003 0.000 0.923 2972 T HN 0.117 nan 8.240 nan 0.000 0.468 2973 Y N 1.982 122.283 120.300 0.002 0.000 2.709 2973 Y HA 0.360 4.911 4.550 0.002 0.000 0.348 2973 Y C 0.694 176.596 175.900 0.004 0.000 1.267 2973 Y CA -0.006 58.105 58.100 0.018 0.000 1.486 2973 Y CB 0.309 38.790 38.460 0.035 0.000 1.356 2973 Y HN 0.507 nan 8.280 nan 0.000 0.639 2974 V N 0.391 120.407 119.914 0.170 0.000 2.969 2974 V HA 0.481 4.602 4.120 0.002 0.000 0.304 2974 V C -0.119 176.023 176.094 0.081 0.000 1.192 2974 V CA -0.747 61.605 62.300 0.087 0.000 0.962 2974 V CB 1.965 33.810 31.823 0.037 0.000 1.045 2974 V HN 0.823 nan 8.190 nan 0.000 0.428 2975 A N 2.846 125.696 122.820 0.050 0.000 2.423 2975 A HA 0.390 4.711 4.320 0.002 0.000 0.246 2975 A C 0.521 178.114 177.584 0.016 0.000 1.278 2975 A CA 0.304 52.359 52.037 0.030 0.000 0.903 2975 A CB -0.001 19.008 19.000 0.014 0.000 0.997 2975 A HN 0.800 nan 8.150 nan 0.000 0.510 2976 E N 0.505 120.715 120.200 0.016 0.000 2.373 2976 E HA 0.585 4.936 4.350 0.002 0.000 0.251 2976 E C -1.090 175.514 176.600 0.007 0.000 0.923 2976 E CA -0.557 55.848 56.400 0.009 0.000 0.798 2976 E CB 1.162 30.866 29.700 0.006 0.000 1.303 2976 E HN 0.200 nan 8.360 nan 0.000 0.412 2977 A N 5.124 127.950 122.820 0.010 0.000 2.304 2977 A HA 0.661 4.983 4.320 0.002 0.000 0.323 2977 A C -2.202 175.391 177.584 0.014 0.000 1.195 2977 A CA -1.283 50.760 52.037 0.010 0.000 0.826 2977 A CB 0.516 19.531 19.000 0.024 0.000 1.184 2977 A HN 0.595 nan 8.150 nan 0.000 0.496 2978 P HA 0.118 nan 4.420 nan 0.000 0.272 2978 P C -0.644 176.669 177.300 0.022 0.000 1.248 2978 P CA -0.253 62.855 63.100 0.012 0.000 0.799 2978 P CB 0.405 32.109 31.700 0.007 0.000 0.997 2979 D N -0.319 120.086 120.400 0.009 0.000 2.304 2979 D HA 0.003 4.645 4.640 0.002 0.000 0.247 2979 D C 1.135 177.427 176.300 -0.014 0.000 1.089 2979 D CA -0.533 53.464 54.000 -0.005 0.000 0.910 2979 D CB 0.850 41.642 40.800 -0.014 0.000 1.199 2979 D HN 0.124 nan 8.370 nan 0.000 0.426 2980 L N 3.737 124.921 121.223 -0.065 0.000 1.991 2980 L HA -0.275 4.066 4.340 0.002 0.000 0.221 2980 L C 2.436 179.220 176.870 -0.144 0.000 1.079 2980 L CA 3.161 57.908 54.840 -0.154 0.000 0.778 2980 L CB -1.425 40.418 42.059 -0.360 0.000 0.893 2980 L HN 0.792 nan 8.230 nan 0.000 0.437 2981 T N -3.531 110.953 114.554 -0.116 0.000 2.759 2981 T HA -0.283 4.068 4.350 0.002 0.000 0.269 2981 T C 1.821 176.484 174.700 -0.061 0.000 1.042 2981 T CA 1.500 63.546 62.100 -0.090 0.000 1.140 2981 T CB -0.513 68.334 68.868 -0.035 0.000 0.864 2981 T HN 0.447 nan 8.240 nan 0.000 0.455 2982 Q N 1.700 121.481 119.800 -0.032 0.000 2.123 2982 Q HA 0.192 4.533 4.340 0.002 0.000 0.199 2982 Q C 2.504 178.502 176.000 -0.003 0.000 0.966 2982 Q CA 1.872 57.666 55.803 -0.015 0.000 0.845 2982 Q CB -1.143 27.591 28.738 -0.007 0.000 0.907 2982 Q HN 0.611 nan 8.270 nan 0.000 0.439 2983 G N 0.617 109.438 108.800 0.034 0.000 2.446 2983 G HA2 -0.234 3.728 3.960 0.002 0.000 0.217 2983 G HA3 -0.234 3.728 3.960 0.002 0.000 0.217 2983 G C 1.337 176.314 174.900 0.129 0.000 1.168 2983 G CA 1.016 46.182 45.100 0.110 0.000 0.771 2983 G HN 0.390 nan 8.290 nan 0.000 0.551 2984 L N 0.816 122.061 121.223 0.038 0.000 2.046 2984 L HA -0.092 4.249 4.340 0.002 0.000 0.208 2984 L C 3.196 180.023 176.870 -0.072 0.000 1.077 2984 L CA 1.270 56.043 54.840 -0.111 0.000 0.747 2984 L CB -0.366 41.368 42.059 -0.541 0.000 0.896 2984 L HN 0.167 nan 8.230 nan 0.000 0.432 2985 S N -0.198 115.459 115.700 -0.072 0.000 2.382 2985 S HA -0.167 4.305 4.470 0.002 0.000 0.228 2985 S C 1.640 176.226 174.600 -0.024 0.000 1.027 2985 S CA 1.575 59.749 58.200 -0.044 0.000 0.991 2985 S CB -0.496 62.685 63.200 -0.031 0.000 0.823 2985 S HN 0.505 nan 8.310 nan 0.000 0.469 2986 N N 0.679 119.365 118.700 -0.024 0.000 2.106 2986 N HA -0.055 4.686 4.740 0.002 0.000 0.188 2986 N C 1.671 177.143 175.510 -0.064 0.000 1.029 2986 N CA 1.160 54.187 53.050 -0.038 0.000 0.848 2986 N CB -0.199 38.262 38.487 -0.042 0.000 1.007 2986 N HN 0.108 nan 8.380 nan 0.000 0.423 2987 V N 0.829 120.693 119.914 -0.082 0.000 2.255 2987 V HA -0.233 3.889 4.120 0.002 0.000 0.247 2987 V C 1.054 176.969 176.094 -0.298 0.000 1.051 2987 V CA 1.830 64.008 62.300 -0.202 0.000 1.018 2987 V CB -0.611 31.075 31.823 -0.228 0.000 0.641 2987 V HN 0.410 nan 8.190 nan 0.000 0.445 2988 H N -0.553 118.476 119.070 -0.068 0.000 2.526 2988 H HA 0.265 4.821 4.556 0.001 0.000 0.274 2988 H C 0.737 176.025 175.328 -0.067 0.000 0.999 2988 H CA -0.297 55.722 56.048 -0.048 0.000 1.157 2988 H CB -0.214 29.538 29.762 -0.017 0.000 1.407 2988 H HN 0.333 nan 8.280 nan 0.000 0.568 2989 K N 1.104 121.508 120.400 0.007 0.000 3.071 2989 K HA -0.250 4.072 4.320 0.002 0.000 0.262 2989 K C -0.622 175.962 176.600 -0.027 0.000 0.977 2989 K CA 0.858 57.137 56.287 -0.013 0.000 0.721 2989 K CB -1.239 31.253 32.500 -0.014 0.000 1.293 2989 K HN 0.604 nan 8.250 nan 0.000 0.475 2990 K N -1.465 118.906 120.400 -0.048 0.000 2.556 2990 K HA 0.527 4.848 4.320 0.002 0.000 0.274 2990 K C -0.962 175.590 176.600 -0.081 0.000 0.966 2990 K CA -1.429 54.799 56.287 -0.099 0.000 0.865 2990 K CB 1.403 33.761 32.500 -0.235 0.000 1.444 2990 K HN -0.070 nan 8.250 nan 0.000 0.433 2991 R N 1.486 121.958 120.500 -0.047 0.000 2.288 2991 R HA 0.237 4.578 4.340 0.002 0.000 0.330 2991 R C -1.234 175.092 176.300 0.044 0.000 1.069 2991 R CA -0.226 55.877 56.100 0.005 0.000 0.941 2991 R CB 0.416 30.737 30.300 0.035 0.000 0.998 2991 R HN 0.517 nan 8.270 nan 0.000 0.452 2992 V N 4.200 124.143 119.914 0.048 0.000 2.435 2992 V HA 0.437 4.559 4.120 0.002 0.000 0.290 2992 V C -0.159 176.001 176.094 0.109 0.000 1.030 2992 V CA -0.559 61.821 62.300 0.133 0.000 0.881 2992 V CB 1.880 33.735 31.823 0.054 0.000 0.983 2992 V HN 0.859 nan 8.190 nan 0.000 0.445 2993 S N 2.671 118.461 115.700 0.149 0.000 2.638 2993 S HA 0.791 5.263 4.470 0.002 0.000 0.298 2993 S C 0.074 174.728 174.600 0.091 0.000 1.111 2993 S CA -0.499 57.763 58.200 0.103 0.000 1.027 2993 S CB 1.803 65.068 63.200 0.109 0.000 1.064 2993 S HN 1.021 nan 8.310 nan 0.000 0.525 2994 A N 1.182 124.040 122.820 0.064 0.000 2.252 2994 A HA 0.732 5.053 4.320 0.002 0.000 0.309 2994 A C 0.075 177.696 177.584 0.063 0.000 1.285 2994 A CA -0.562 51.507 52.037 0.053 0.000 0.900 2994 A CB -0.160 18.856 19.000 0.028 0.000 1.157 2994 A HN 0.959 nan 8.150 nan 0.000 0.536 2995 A N 3.351 126.212 122.820 0.069 0.000 2.322 2995 A HA 0.889 5.210 4.320 0.002 0.000 0.327 2995 A C 0.113 177.726 177.584 0.047 0.000 1.134 2995 A CA -0.792 51.286 52.037 0.069 0.000 0.831 2995 A CB 1.051 20.088 19.000 0.061 0.000 1.288 2995 A HN 0.800 nan 8.150 nan 0.000 0.472 2996 R N -0.061 120.468 120.500 0.048 0.000 2.740 2996 R HA 0.434 4.775 4.340 0.002 0.000 0.282 2996 R C -1.441 174.851 176.300 -0.012 0.000 0.969 2996 R CA -0.953 55.152 56.100 0.009 0.000 0.918 2996 R CB 1.870 32.166 30.300 -0.006 0.000 1.175 2996 R HN 0.607 nan 8.270 nan 0.000 0.464 2997 L N 3.058 124.242 121.223 -0.065 0.000 2.360 2997 L HA 0.121 4.462 4.340 0.002 0.000 0.276 2997 L C 0.541 177.366 176.870 -0.075 0.000 1.121 2997 L CA 0.549 55.325 54.840 -0.107 0.000 0.845 2997 L CB 0.406 42.366 42.059 -0.166 0.000 1.143 2997 L HN 0.691 nan 8.230 nan 0.000 0.452 2998 L N 3.060 124.237 121.223 -0.076 0.000 2.200 2998 L HA 0.258 4.599 4.340 0.002 0.000 0.200 2998 L C 0.567 177.390 176.870 -0.078 0.000 1.072 2998 L CA 0.785 55.598 54.840 -0.045 0.000 0.787 2998 L CB -0.030 42.022 42.059 -0.011 0.000 0.957 2998 L HN 0.881 nan 8.230 nan 0.000 0.459 2999 S N -0.649 114.969 115.700 -0.136 0.000 2.595 2999 S HA 0.530 5.001 4.470 0.002 0.000 0.270 2999 S C -1.016 173.472 174.600 -0.187 0.000 1.145 2999 S CA -1.030 57.094 58.200 -0.127 0.000 0.825 2999 S CB 2.282 65.439 63.200 -0.073 0.000 1.107 2999 S HN 0.291 nan 8.310 nan 0.000 0.461 3000 R N 0.646 121.068 120.500 -0.129 0.000 2.604 3000 R HA 0.735 5.077 4.340 0.002 0.000 0.281 3000 R C -1.628 174.654 176.300 -0.030 0.000 1.020 3000 R CA -0.610 55.416 56.100 -0.124 0.000 0.899 3000 R CB 1.729 31.941 30.300 -0.148 0.000 1.205 3000 R HN 0.899 nan 8.270 nan 0.000 0.450 3001 Q N 2.465 122.288 119.800 0.038 0.000 2.377 3001 Q HA 0.395 4.736 4.340 0.002 0.000 0.279 3001 Q C -1.296 174.738 176.000 0.057 0.000 1.049 3001 Q CA -1.320 54.518 55.803 0.058 0.000 0.825 3001 Q CB 1.709 30.504 28.738 0.095 0.000 1.401 3001 Q HN 0.553 nan 8.270 nan 0.000 0.404 3002 N N 1.882 120.596 118.700 0.023 0.000 2.497 3002 N HA 0.167 4.908 4.740 0.002 0.000 0.268 3002 N C 0.278 175.786 175.510 -0.003 0.000 1.171 3002 N CA 0.052 53.109 53.050 0.012 0.000 0.948 3002 N CB 1.190 39.681 38.487 0.006 0.000 1.069 3002 N HN 0.625 nan 8.380 nan 0.000 0.460 3003 L N 0.618 121.824 121.223 -0.029 0.000 2.585 3003 L HA 0.131 4.472 4.340 0.002 0.000 0.226 3003 L C 0.851 177.696 176.870 -0.042 0.000 1.113 3003 L CA 0.358 55.143 54.840 -0.091 0.000 0.876 3003 L CB 0.016 41.933 42.059 -0.236 0.000 1.072 3003 L HN 0.338 nan 8.230 nan 0.000 0.468 3004 Q N 0.067 119.865 119.800 -0.004 0.000 2.214 3004 Q HA 0.261 4.602 4.340 0.002 0.000 0.251 3004 Q C 0.062 176.075 176.000 0.022 0.000 0.936 3004 Q CA -0.378 55.439 55.803 0.024 0.000 0.894 3004 Q CB 2.194 30.954 28.738 0.037 0.000 1.252 3004 Q HN 0.031 nan 8.270 nan 0.000 0.448 3005 S N 1.419 117.137 115.700 0.031 0.000 2.558 3005 S HA 0.028 4.499 4.470 0.002 0.000 0.288 3005 S C -1.717 172.895 174.600 0.020 0.000 1.318 3005 S CA -1.046 57.168 58.200 0.024 0.000 1.056 3005 S CB 0.364 63.580 63.200 0.027 0.000 0.853 3005 S HN 0.359 nan 8.310 nan 0.000 0.505 3006 P HA -0.073 nan 4.420 nan 0.000 0.218 3006 P C 0.401 177.710 177.300 0.016 0.000 1.148 3006 P CA 1.302 64.410 63.100 0.014 0.000 0.822 3006 P CB 0.057 31.763 31.700 0.010 0.000 0.784 3007 K N -0.680 119.730 120.400 0.015 0.000 2.611 3007 K HA 0.094 4.415 4.320 0.002 0.000 0.193 3007 K C 0.810 177.421 176.600 0.019 0.000 1.026 3007 K CA 0.056 56.352 56.287 0.015 0.000 1.063 3007 K CB -0.199 32.308 32.500 0.011 0.000 0.839 3007 K HN 0.062 nan 8.250 nan 0.000 0.505 3008 S N 0.052 115.766 115.700 0.024 0.000 2.610 3008 S HA 0.109 4.580 4.470 0.002 0.000 0.273 3008 S C 1.237 175.856 174.600 0.031 0.000 1.274 3008 S CA -0.681 57.537 58.200 0.030 0.000 1.023 3008 S CB 1.203 64.424 63.200 0.035 0.000 0.962 3008 S HN 0.326 nan 8.310 nan 0.000 0.523 3009 S N 4.225 119.945 115.700 0.035 0.000 2.421 3009 S HA 0.204 4.676 4.470 0.002 0.000 0.224 3009 S C 0.967 175.594 174.600 0.044 0.000 1.035 3009 S CA -0.108 58.115 58.200 0.038 0.000 0.953 3009 S CB -0.140 63.083 63.200 0.040 0.000 0.810 3009 S HN 0.668 nan 8.310 nan 0.000 0.497 3010 R N 0.880 121.408 120.500 0.046 0.000 2.584 3010 R HA 0.663 5.004 4.340 0.002 0.000 0.253 3010 R C -0.356 175.972 176.300 0.047 0.000 1.251 3010 R CA -0.032 56.098 56.100 0.051 0.000 1.129 3010 R CB 0.403 30.735 30.300 0.055 0.000 1.239 3010 R HN 0.363 nan 8.270 nan 0.000 0.595 3011 S N -0.774 114.957 115.700 0.051 0.000 2.556 3011 S HA 0.307 4.779 4.470 0.002 0.000 0.280 3011 S C -1.637 172.993 174.600 0.049 0.000 1.141 3011 S CA -0.686 57.540 58.200 0.043 0.000 0.883 3011 S CB 1.826 65.046 63.200 0.033 0.000 1.103 3011 S HN 0.504 nan 8.310 nan 0.000 0.453 3012 T N 4.298 118.877 114.554 0.041 0.000 2.893 3012 T HA 0.670 5.021 4.350 0.002 0.000 0.293 3012 T C -0.458 174.259 174.700 0.027 0.000 1.027 3012 T CA -0.616 61.512 62.100 0.046 0.000 0.988 3012 T CB 1.079 69.981 68.868 0.055 0.000 1.043 3012 T HN 0.855 nan 8.240 nan 0.000 0.461 3013 I N -0.703 119.885 120.570 0.029 0.000 2.740 3013 I HA 0.834 5.005 4.170 0.002 0.000 0.303 3013 I C -1.219 174.945 176.117 0.079 0.000 1.044 3013 I CA -1.303 60.013 61.300 0.026 0.000 1.064 3013 I CB 1.790 39.775 38.000 -0.025 0.000 1.249 3013 I HN 0.500 nan 8.210 nan 0.000 0.433 3014 F N 5.342 125.251 119.950 -0.068 0.000 2.415 3014 F HA 0.724 5.253 4.527 0.003 0.000 0.348 3014 F C -1.020 174.716 175.800 -0.106 0.000 1.119 3014 F CA -0.736 57.235 58.000 -0.047 0.000 1.069 3014 F CB 1.461 40.446 39.000 -0.025 0.000 1.124 3014 F HN 0.258 nan 8.300 nan 0.000 0.472 3015 V N 7.185 126.672 119.914 -0.711 0.000 2.487 3015 V HA 0.541 4.663 4.120 0.002 0.000 0.298 3015 V C -0.595 174.993 176.094 -0.842 0.000 1.028 3015 V CA -0.866 61.051 62.300 -0.638 0.000 0.860 3015 V CB 1.962 33.548 31.823 -0.395 0.000 0.991 3015 V HN 0.673 nan 8.190 nan 0.000 0.427 3016 R N 5.053 125.143 120.500 -0.684 0.000 2.393 3016 R HA 0.753 5.095 4.340 0.002 0.000 0.315 3016 R C -1.341 174.817 176.300 -0.237 0.000 0.952 3016 R CA -0.538 55.240 56.100 -0.536 0.000 0.842 3016 R CB 1.717 31.678 30.300 -0.565 0.000 1.163 3016 R HN 0.567 nan 8.270 nan 0.000 0.450 3017 L N 2.197 123.347 121.223 -0.122 0.000 2.342 3017 L HA 0.450 4.792 4.340 0.002 0.000 0.271 3017 L C -0.148 176.735 176.870 0.022 0.000 1.008 3017 L CA -1.060 53.749 54.840 -0.052 0.000 0.818 3017 L CB 1.758 43.778 42.059 -0.065 0.000 1.296 3017 L HN 0.484 nan 8.230 nan 0.000 0.427 3018 H N 1.070 120.133 119.070 -0.012 0.000 2.488 3018 H HA 0.233 4.789 4.556 0.001 0.000 0.322 3018 H C 0.061 175.403 175.328 0.023 0.000 1.078 3018 H CA -0.213 55.846 56.048 0.018 0.000 1.260 3018 H CB 1.926 31.695 29.762 0.011 0.000 1.425 3018 H HN 0.630 nan 8.280 nan 0.000 0.471 3019 T N 3.028 117.616 114.554 0.056 0.000 3.067 3019 T HA -0.060 4.291 4.350 0.002 0.000 0.261 3019 T C 0.661 175.490 174.700 0.214 0.000 1.110 3019 T CA 0.416 62.587 62.100 0.118 0.000 1.113 3019 T CB -0.191 68.709 68.868 0.052 0.000 0.917 3019 T HN 0.843 nan 8.240 nan 0.000 0.499 3020 N N 0.218 119.201 118.700 0.473 0.000 2.756 3020 N HA -0.188 4.554 4.740 0.002 0.000 0.248 3020 N C 0.808 176.419 175.510 0.169 0.000 1.062 3020 N CA -0.153 53.086 53.050 0.315 0.000 0.696 3020 N CB -1.121 37.451 38.487 0.141 0.000 0.946 3020 N HN 0.563 nan 8.380 nan 0.000 0.548 3021 G N 0.127 109.012 108.800 0.143 0.000 2.200 3021 G HA2 -0.409 3.552 3.960 0.002 0.000 0.268 3021 G HA3 -0.409 3.552 3.960 0.002 0.000 0.268 3021 G C 0.085 175.015 174.900 0.050 0.000 0.986 3021 G CA 0.707 45.849 45.100 0.069 0.000 0.677 3021 G HN 0.752 nan 8.290 nan 0.000 0.532 3022 N N 0.672 119.410 118.700 0.064 0.000 2.411 3022 N HA 0.254 4.996 4.740 0.002 0.000 0.282 3022 N C 1.984 177.523 175.510 0.048 0.000 1.322 3022 N CA 0.494 53.579 53.050 0.058 0.000 0.943 3022 N CB 0.253 38.785 38.487 0.075 0.000 1.266 3022 N HN 0.680 nan 8.380 nan 0.000 0.486 3023 Q N 2.101 121.922 119.800 0.035 0.000 2.197 3023 Q HA -0.262 4.080 4.340 0.002 0.000 0.207 3023 Q C 0.902 176.928 176.000 0.044 0.000 0.984 3023 Q CA 1.696 57.514 55.803 0.026 0.000 0.869 3023 Q CB -0.078 28.671 28.738 0.019 0.000 0.906 3023 Q HN 0.608 nan 8.270 nan 0.000 0.426 3024 E N 0.339 120.574 120.200 0.059 0.000 2.265 3024 E HA -0.037 4.314 4.350 0.002 0.000 0.196 3024 E C 0.598 177.262 176.600 0.107 0.000 0.996 3024 E CA 0.814 57.263 56.400 0.080 0.000 0.832 3024 E CB 0.010 29.761 29.700 0.085 0.000 0.756 3024 E HN 0.416 nan 8.360 nan 0.000 0.491 3025 L N 1.457 122.742 121.223 0.102 0.000 2.912 3025 L HA 0.133 4.474 4.340 0.002 0.000 0.240 3025 L C -0.045 176.922 176.870 0.162 0.000 1.262 3025 L CA -0.419 54.502 54.840 0.136 0.000 1.058 3025 L CB 0.189 42.324 42.059 0.127 0.000 1.383 3025 L HN -0.027 nan 8.230 nan 0.000 0.512 3026 Q N 1.327 121.186 119.800 0.097 0.000 2.288 3026 Q HA 0.348 4.689 4.340 0.002 0.000 0.254 3026 Q C -0.805 175.248 176.000 0.089 0.000 0.932 3026 Q CA -0.006 55.804 55.803 0.011 0.000 0.902 3026 Q CB 1.611 30.327 28.738 -0.036 0.000 1.203 3026 Q HN 0.302 nan 8.270 nan 0.000 0.415 3027 Y N -1.261 119.019 120.300 -0.034 0.000 2.677 3027 Y HA 0.638 5.189 4.550 0.002 0.000 0.334 3027 Y C -0.905 174.951 175.900 -0.073 0.000 1.154 3027 Y CA -1.200 56.880 58.100 -0.033 0.000 1.070 3027 Y CB 1.409 39.853 38.460 -0.027 0.000 1.294 3027 Y HN 0.406 nan 8.280 nan 0.000 0.475 3028 Q N 1.279 121.166 119.800 0.145 0.000 2.387 3028 Q HA 0.500 4.841 4.340 0.002 0.000 0.273 3028 Q C -2.889 173.201 176.000 0.150 0.000 1.089 3028 Q CA -2.501 53.281 55.803 -0.035 0.000 0.824 3028 Q CB 2.581 31.127 28.738 -0.320 0.000 1.367 3028 Q HN 0.410 nan 8.270 nan 0.000 0.443 3029 P HA -0.050 nan 4.420 nan 0.000 0.264 3029 P C 0.428 177.965 177.300 0.395 0.000 1.183 3029 P CA 1.270 64.511 63.100 0.235 0.000 0.763 3029 P CB 0.418 32.216 31.700 0.163 0.000 0.807 3030 G N 1.700 110.767 108.800 0.445 0.000 2.238 3030 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 3030 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 3030 G C 0.002 174.996 174.900 0.157 0.000 0.996 3030 G CA -0.342 45.081 45.100 0.538 0.000 0.632 3030 G HN 0.494 nan 8.290 nan 0.000 0.503 3031 D N 0.832 121.282 120.400 0.084 0.000 2.358 3031 D HA 0.580 5.221 4.640 0.002 0.000 0.244 3031 D C 0.541 176.634 176.300 -0.344 0.000 1.163 3031 D CA 0.147 54.066 54.000 -0.135 0.000 0.945 3031 D CB 0.482 41.332 40.800 0.084 0.000 1.152 3031 D HN 0.583 nan 8.370 nan 0.000 0.451 3032 H N -0.697 118.356 119.070 -0.028 0.000 2.567 3032 H HA 0.583 5.140 4.556 0.002 0.000 0.345 3032 H C -0.706 174.557 175.328 -0.108 0.000 1.169 3032 H CA -1.030 54.967 56.048 -0.085 0.000 1.227 3032 H CB 1.535 31.235 29.762 -0.103 0.000 1.607 3032 H HN 0.087 nan 8.280 nan 0.000 0.534 3033 L N 1.287 122.514 121.223 0.006 0.000 2.325 3033 L HA 0.524 4.865 4.340 0.002 0.000 0.281 3033 L C 0.127 176.829 176.870 -0.280 0.000 1.004 3033 L CA -0.184 54.560 54.840 -0.161 0.000 0.823 3033 L CB 1.105 43.077 42.059 -0.145 0.000 1.236 3033 L HN 0.827 nan 8.230 nan 0.000 0.415 3034 G N 4.816 113.121 108.800 -0.825 0.000 2.333 3034 G HA2 0.537 4.499 3.960 0.002 0.000 0.290 3034 G HA3 0.537 4.499 3.960 0.002 0.000 0.290 3034 G C -1.098 173.333 174.900 -0.782 0.000 1.150 3034 G CA -0.306 44.033 45.100 -1.269 0.000 0.895 3034 G HN 0.468 nan 8.290 nan 0.000 0.444 3035 V N 2.765 122.376 119.914 -0.505 0.000 2.555 3035 V HA 0.456 4.577 4.120 0.002 0.000 0.302 3035 V C -0.850 175.013 176.094 -0.385 0.000 1.038 3035 V CA -0.721 61.437 62.300 -0.238 0.000 0.887 3035 V CB 1.599 33.422 31.823 -0.000 0.000 0.991 3035 V HN 0.597 nan 8.190 nan 0.000 0.434 3036 F N 6.829 126.701 119.950 -0.130 0.000 2.361 3036 F HA 0.526 5.054 4.527 0.002 0.000 0.364 3036 F C -1.721 173.739 175.800 -0.567 0.000 1.120 3036 F CA -1.971 55.871 58.000 -0.263 0.000 1.102 3036 F CB 1.506 40.372 39.000 -0.223 0.000 1.183 3036 F HN 0.343 nan 8.300 nan 0.000 0.476 3037 P HA 0.446 nan 4.420 nan 0.000 0.301 3037 P C -0.618 176.014 177.300 -1.113 0.000 1.309 3037 P CA -0.573 61.632 63.100 -1.491 0.000 0.782 3037 P CB 1.630 32.890 31.700 -0.734 0.000 1.282 3038 G N 0.170 108.064 108.800 -1.510 0.000 2.513 3038 G HA2 0.311 4.272 3.960 0.002 0.000 0.317 3038 G HA3 0.311 4.272 3.960 0.002 0.000 0.317 3038 G C -0.352 174.297 174.900 -0.417 0.000 1.277 3038 G CA -0.568 44.122 45.100 -0.684 0.000 0.955 3038 G HN 0.371 nan 8.290 nan 0.000 0.484 3039 N N 0.727 119.231 118.700 -0.326 0.000 2.415 3039 N HA 0.037 4.779 4.740 0.002 0.000 0.248 3039 N C 0.139 175.585 175.510 -0.106 0.000 1.271 3039 N CA -0.151 52.803 53.050 -0.160 0.000 0.913 3039 N CB 0.560 38.956 38.487 -0.151 0.000 1.129 3039 N HN 0.524 nan 8.380 nan 0.000 0.444 3040 H N 1.593 120.630 119.070 -0.055 0.000 2.897 3040 H HA -0.027 4.530 4.556 0.003 0.000 0.347 3040 H C 0.779 176.087 175.328 -0.033 0.000 1.068 3040 H CA 0.856 56.900 56.048 -0.006 0.000 1.426 3040 H CB 0.781 30.556 29.762 0.021 0.000 1.410 3040 H HN 0.587 nan 8.280 nan 0.000 0.597 3041 E N 2.608 122.846 120.200 0.063 0.000 2.077 3041 E HA -0.171 4.181 4.350 0.002 0.000 0.193 3041 E C 1.193 177.974 176.600 0.302 0.000 0.989 3041 E CA 1.254 57.783 56.400 0.214 0.000 0.800 3041 E CB 0.219 30.073 29.700 0.255 0.000 0.746 3041 E HN 0.652 nan 8.360 nan 0.000 0.452 3042 D N 0.892 121.555 120.400 0.440 0.000 2.133 3042 D HA -0.163 4.479 4.640 0.002 0.000 0.195 3042 D C 1.979 178.328 176.300 0.081 0.000 0.997 3042 D CA 0.952 55.061 54.000 0.182 0.000 0.840 3042 D CB -0.214 40.607 40.800 0.035 0.000 0.947 3042 D HN 0.168 nan 8.370 nan 0.000 0.452 3043 L N -0.001 121.258 121.223 0.060 0.000 2.217 3043 L HA -0.064 4.277 4.340 0.002 0.000 0.211 3043 L C 2.326 179.162 176.870 -0.056 0.000 1.107 3043 L CA 0.288 55.113 54.840 -0.024 0.000 0.783 3043 L CB -0.116 41.915 42.059 -0.047 0.000 0.919 3043 L HN -0.044 nan 8.230 nan 0.000 0.442 3044 V N -0.071 119.823 119.914 -0.034 0.000 2.379 3044 V HA -0.173 3.949 4.120 0.002 0.000 0.245 3044 V C 2.030 178.131 176.094 0.011 0.000 1.044 3044 V CA 1.463 63.700 62.300 -0.104 0.000 1.036 3044 V CB -0.474 31.172 31.823 -0.295 0.000 0.664 3044 V HN 0.480 nan 8.190 nan 0.000 0.453 3045 N N 0.404 119.185 118.700 0.135 0.000 2.409 3045 N HA 0.023 4.764 4.740 0.002 0.000 0.179 3045 N C 1.739 177.283 175.510 0.058 0.000 1.032 3045 N CA 1.265 54.414 53.050 0.164 0.000 0.898 3045 N CB -0.084 38.518 38.487 0.191 0.000 0.971 3045 N HN 0.478 nan 8.380 nan 0.000 0.441 3046 A N 0.387 123.213 122.820 0.010 0.000 2.016 3046 A HA 0.025 4.347 4.320 0.002 0.000 0.217 3046 A C 2.114 179.657 177.584 -0.069 0.000 1.162 3046 A CA 0.516 52.540 52.037 -0.023 0.000 0.662 3046 A CB -0.284 18.697 19.000 -0.032 0.000 0.812 3046 A HN 0.182 nan 8.150 nan 0.000 0.450 3047 L N -0.300 120.847 121.223 -0.126 0.000 2.179 3047 L HA 0.091 4.433 4.340 0.002 0.000 0.208 3047 L C 2.032 178.771 176.870 -0.218 0.000 1.096 3047 L CA 1.417 56.111 54.840 -0.243 0.000 0.779 3047 L CB -0.288 41.508 42.059 -0.438 0.000 0.922 3047 L HN 0.397 nan 8.230 nan 0.000 0.443 3048 I N -0.991 119.519 120.570 -0.100 0.000 2.406 3048 I HA -0.144 4.028 4.170 0.002 0.000 0.249 3048 I C 2.184 178.315 176.117 0.024 0.000 1.122 3048 I CA 0.723 62.040 61.300 0.029 0.000 1.431 3048 I CB -0.288 37.812 38.000 0.165 0.000 1.087 3048 I HN 0.243 nan 8.210 nan 0.000 0.424 3049 E N 0.916 121.123 120.200 0.011 0.000 2.418 3049 E HA -0.170 4.182 4.350 0.002 0.000 0.197 3049 E C 1.721 178.314 176.600 -0.012 0.000 1.026 3049 E CA 0.492 56.897 56.400 0.009 0.000 0.862 3049 E CB 0.169 29.877 29.700 0.013 0.000 0.799 3049 E HN 0.210 nan 8.360 nan 0.000 0.518 3050 R N 0.041 120.519 120.500 -0.036 0.000 2.362 3050 R HA 0.128 4.470 4.340 0.002 0.000 0.227 3050 R C 0.031 176.296 176.300 -0.058 0.000 0.905 3050 R CA -0.100 55.970 56.100 -0.050 0.000 1.067 3050 R CB -0.060 30.197 30.300 -0.071 0.000 1.078 3050 R HN -0.074 nan 8.270 nan 0.000 0.516 3051 L N 1.049 122.247 121.223 -0.043 0.000 2.371 3051 L HA 0.222 4.563 4.340 0.002 0.000 0.272 3051 L C 1.360 178.223 176.870 -0.010 0.000 1.124 3051 L CA 0.411 55.233 54.840 -0.031 0.000 0.816 3051 L CB 1.456 43.524 42.059 0.014 0.000 1.129 3051 L HN 0.291 nan 8.230 nan 0.000 0.448 3052 E N 2.284 122.475 120.200 -0.013 0.000 2.030 3052 E HA -0.091 4.260 4.350 0.002 0.000 0.189 3052 E C 0.129 176.746 176.600 0.027 0.000 0.974 3052 E CA 0.045 56.448 56.400 0.006 0.000 0.807 3052 E CB 0.017 29.720 29.700 0.005 0.000 0.771 3052 E HN 0.748 nan 8.360 nan 0.000 0.451 3053 D N -0.541 119.882 120.400 0.038 0.000 2.461 3053 D HA -0.115 4.527 4.640 0.002 0.000 0.231 3053 D C 0.227 176.552 176.300 0.042 0.000 1.208 3053 D CA 0.779 54.812 54.000 0.055 0.000 0.879 3053 D CB 1.048 41.887 40.800 0.065 0.000 1.220 3053 D HN 0.319 nan 8.370 nan 0.000 0.480 3054 A N 2.884 125.727 122.820 0.038 0.000 2.267 3054 A HA 0.160 4.482 4.320 0.002 0.000 0.213 3054 A C -1.671 175.915 177.584 0.003 0.000 1.192 3054 A CA -0.289 51.762 52.037 0.024 0.000 0.851 3054 A CB -0.226 18.791 19.000 0.028 0.000 0.881 3054 A HN 0.402 nan 8.150 nan 0.000 0.494 3055 P HA 0.094 nan 4.420 nan 0.000 0.251 3055 P C -2.322 174.947 177.300 -0.053 0.000 1.154 3055 P CA -0.070 62.992 63.100 -0.062 0.000 0.805 3055 P CB -0.084 31.570 31.700 -0.076 0.000 0.759 3056 P HA -0.067 nan 4.420 nan 0.000 0.269 3056 P C 0.610 177.900 177.300 -0.018 0.000 1.211 3056 P CA 0.256 63.292 63.100 -0.107 0.000 0.781 3056 P CB 0.571 32.072 31.700 -0.331 0.000 0.877 3057 A N 2.202 125.053 122.820 0.051 0.000 2.178 3057 A HA -0.074 4.247 4.320 0.002 0.000 0.211 3057 A C 1.226 178.897 177.584 0.145 0.000 1.157 3057 A CA 0.756 52.865 52.037 0.121 0.000 0.780 3057 A CB -0.823 18.274 19.000 0.162 0.000 0.828 3057 A HN 0.659 nan 8.150 nan 0.000 0.476 3058 N N -0.564 118.241 118.700 0.174 0.000 2.270 3058 N HA 0.055 4.796 4.740 0.002 0.000 0.198 3058 N C -0.508 175.196 175.510 0.323 0.000 1.117 3058 N CA -0.012 53.166 53.050 0.214 0.000 0.845 3058 N CB -0.390 38.206 38.487 0.183 0.000 0.980 3058 N HN 0.399 nan 8.380 nan 0.000 0.486 3059 H N -0.420 118.684 119.070 0.057 0.000 2.457 3059 H HA 0.444 5.002 4.556 0.003 0.000 0.335 3059 H C -0.346 174.982 175.328 -0.000 0.000 1.115 3059 H CA -1.096 54.997 56.048 0.075 0.000 1.219 3059 H CB 1.695 31.556 29.762 0.164 0.000 1.471 3059 H HN -0.226 nan 8.280 nan 0.000 0.491 3060 V N 4.569 124.546 119.914 0.104 0.000 2.555 3060 V HA 0.293 4.414 4.120 0.002 0.000 0.286 3060 V C 0.441 176.517 176.094 -0.030 0.000 1.044 3060 V CA -0.061 62.260 62.300 0.035 0.000 1.026 3060 V CB 0.464 32.309 31.823 0.038 0.000 0.981 3060 V HN 0.655 nan 8.190 nan 0.000 0.480 3061 V N 2.577 122.437 119.914 -0.089 0.000 3.156 3061 V HA 0.853 4.974 4.120 0.002 0.000 0.310 3061 V C -0.786 175.247 176.094 -0.101 0.000 1.234 3061 V CA -0.998 61.214 62.300 -0.147 0.000 1.065 3061 V CB 2.219 33.890 31.823 -0.255 0.000 1.088 3061 V HN 0.855 nan 8.190 nan 0.000 0.451 3062 K N 0.046 120.395 120.400 -0.086 0.000 2.536 3062 K HA 0.772 5.094 4.320 0.002 0.000 0.269 3062 K C -2.192 174.389 176.600 -0.032 0.000 0.965 3062 K CA -0.691 55.560 56.287 -0.061 0.000 0.860 3062 K CB 2.730 35.213 32.500 -0.028 0.000 1.423 3062 K HN 0.690 nan 8.250 nan 0.000 0.438 3063 V N 3.130 123.035 119.914 -0.016 0.000 2.328 3063 V HA 0.294 4.416 4.120 0.002 0.000 0.278 3063 V C -0.572 175.612 176.094 0.151 0.000 1.021 3063 V CA -0.590 61.739 62.300 0.048 0.000 0.838 3063 V CB 1.081 32.887 31.823 -0.028 0.000 0.999 3063 V HN 0.739 nan 8.190 nan 0.000 0.447 3064 E N 5.697 126.051 120.200 0.257 0.000 2.214 3064 E HA 0.709 5.061 4.350 0.002 0.000 0.274 3064 E C -0.527 176.402 176.600 0.548 0.000 0.977 3064 E CA -0.675 55.944 56.400 0.366 0.000 0.827 3064 E CB 2.238 32.172 29.700 0.391 0.000 1.130 3064 E HN 0.739 nan 8.360 nan 0.000 0.394 3065 M N 0.619 120.442 119.600 0.371 0.000 2.530 3065 M HA 0.444 4.925 4.480 0.002 0.000 0.307 3065 M C -1.125 174.986 176.300 -0.316 0.000 1.161 3065 M CA -1.270 54.076 55.300 0.078 0.000 0.903 3065 M CB 1.515 34.179 32.600 0.106 0.000 1.711 3065 M HN 0.299 nan 8.290 nan 0.000 0.451 3066 L N 2.388 123.109 121.223 -0.836 0.000 2.369 3066 L HA 0.314 4.655 4.340 0.002 0.000 0.279 3066 L C -0.329 176.212 176.870 -0.547 0.000 1.108 3066 L CA 0.757 54.973 54.840 -1.040 0.000 0.852 3066 L CB 0.366 41.666 42.059 -1.266 0.000 1.169 3066 L HN 0.900 nan 8.230 nan 0.000 0.452 3067 E N 5.735 125.709 120.200 -0.377 0.000 2.081 3067 E HA 0.246 4.597 4.350 0.002 0.000 0.276 3067 E C -1.053 175.426 176.600 -0.202 0.000 0.950 3067 E CA -0.481 55.785 56.400 -0.224 0.000 0.776 3067 E CB 0.647 30.272 29.700 -0.125 0.000 1.094 3067 E HN 0.707 nan 8.360 nan 0.000 0.402 3068 E N 4.960 125.048 120.200 -0.187 0.000 2.195 3068 E HA 0.384 4.736 4.350 0.002 0.000 0.271 3068 E C -0.694 175.847 176.600 -0.097 0.000 0.923 3068 E CA -1.063 55.250 56.400 -0.145 0.000 0.790 3068 E CB 2.035 31.636 29.700 -0.165 0.000 1.155 3068 E HN 0.285 nan 8.360 nan 0.000 0.402 3069 R N 3.552 124.009 120.500 -0.072 0.000 2.407 3069 R HA 0.188 4.529 4.340 0.002 0.000 0.298 3069 R C -0.332 175.943 176.300 -0.042 0.000 1.166 3069 R CA -0.483 55.587 56.100 -0.050 0.000 1.006 3069 R CB 0.774 31.052 30.300 -0.036 0.000 1.145 3069 R HN 0.667 nan 8.270 nan 0.000 0.538 3070 N N 1.404 120.079 118.700 -0.042 0.000 2.226 3070 N HA -0.098 4.643 4.740 0.002 0.000 0.232 3070 N C -0.058 175.436 175.510 -0.027 0.000 1.255 3070 N CA 1.445 54.474 53.050 -0.036 0.000 0.855 3070 N CB 0.753 39.220 38.487 -0.033 0.000 1.095 3070 N HN 0.678 nan 8.380 nan 0.000 0.444 3071 T N -2.498 112.042 114.554 -0.024 0.000 2.590 3071 T HA 0.583 4.934 4.350 0.002 0.000 0.282 3071 T C 0.613 175.303 174.700 -0.017 0.000 0.989 3071 T CA -0.167 61.922 62.100 -0.018 0.000 1.091 3071 T CB 0.811 69.670 68.868 -0.016 0.000 1.460 3071 T HN 0.340 nan 8.240 nan 0.000 0.499 3072 A N -0.414 122.397 122.820 -0.014 0.000 2.132 3072 A HA 0.535 4.856 4.320 0.002 0.000 0.213 3072 A C 1.384 178.960 177.584 -0.014 0.000 1.154 3072 A CA 0.217 52.246 52.037 -0.013 0.000 0.753 3072 A CB -0.588 18.406 19.000 -0.011 0.000 0.826 3072 A HN 0.650 nan 8.150 nan 0.000 0.469 3073 L N -1.527 119.688 121.223 -0.014 0.000 3.393 3073 L HA 0.517 4.858 4.340 0.002 0.000 0.319 3073 L C 0.689 177.550 176.870 -0.015 0.000 1.309 3073 L CA 0.138 54.970 54.840 -0.013 0.000 0.962 3073 L CB 0.542 42.594 42.059 -0.010 0.000 1.391 3073 L HN 0.461 nan 8.230 nan 0.000 0.607 3074 G N 0.522 109.311 108.800 -0.018 0.000 2.292 3074 G HA2 0.201 4.162 3.960 0.002 0.000 0.194 3074 G HA3 0.201 4.162 3.960 0.002 0.000 0.194 3074 G C -1.427 173.457 174.900 -0.027 0.000 1.329 3074 G CA -0.001 45.086 45.100 -0.022 0.000 1.100 3074 G HN 0.222 nan 8.290 nan 0.000 0.470 3075 V N -1.788 118.108 119.914 -0.029 0.000 3.049 3075 V HA 0.850 4.971 4.120 0.002 0.000 0.309 3075 V C -0.644 175.432 176.094 -0.031 0.000 1.148 3075 V CA -0.800 61.479 62.300 -0.036 0.000 0.990 3075 V CB 1.896 33.687 31.823 -0.054 0.000 1.039 3075 V HN 1.551 nan 8.190 nan 0.000 0.430 3076 I N 4.300 124.851 120.570 -0.031 0.000 2.328 3076 I HA 0.777 4.948 4.170 0.002 0.000 0.287 3076 I C 0.088 176.183 176.117 -0.036 0.000 1.012 3076 I CA 0.291 61.577 61.300 -0.024 0.000 1.195 3076 I CB 1.055 39.045 38.000 -0.016 0.000 1.350 3076 I HN 1.150 nan 8.210 nan 0.000 0.464 3077 S N 4.927 120.606 115.700 -0.035 0.000 2.697 3077 S HA 0.790 5.261 4.470 0.002 0.000 0.289 3077 S C -1.203 173.381 174.600 -0.026 0.000 1.149 3077 S CA -0.836 57.327 58.200 -0.060 0.000 0.850 3077 S CB 2.091 65.221 63.200 -0.116 0.000 1.151 3077 S HN 0.744 nan 8.310 nan 0.000 0.491 3078 N N -1.612 117.056 118.700 -0.052 0.000 2.636 3078 N HA 0.341 5.083 4.740 0.002 0.000 0.261 3078 N C -2.383 173.127 175.510 0.000 0.000 1.195 3078 N CA -0.664 52.408 53.050 0.038 0.000 0.902 3078 N CB -0.009 38.513 38.487 0.058 0.000 1.627 3078 N HN 0.741 nan 8.380 nan 0.000 0.491 3079 W N 1.377 122.673 121.300 -0.008 0.000 2.416 3079 W HA 0.412 5.073 4.660 0.002 0.000 0.318 3079 W C 0.126 176.651 176.519 0.009 0.000 1.150 3079 W CA -0.292 57.053 57.345 -0.001 0.000 1.392 3079 W CB 0.729 30.194 29.460 0.008 0.000 1.311 3079 W HN 0.074 nan 8.180 nan 0.000 0.436 3080 K N 2.345 122.841 120.400 0.160 0.000 2.098 3080 K HA 0.231 4.552 4.320 0.002 0.000 0.258 3080 K C -0.441 176.246 176.600 0.144 0.000 0.973 3080 K CA -0.961 55.396 56.287 0.117 0.000 0.898 3080 K CB 1.158 33.690 32.500 0.053 0.000 1.057 3080 K HN 0.256 nan 8.250 nan 0.000 0.447 3081 D N 1.937 122.403 120.400 0.111 0.000 2.425 3081 D HA -0.048 4.593 4.640 0.002 0.000 0.247 3081 D C 1.242 177.599 176.300 0.095 0.000 1.147 3081 D CA 0.280 54.340 54.000 0.102 0.000 0.879 3081 D CB 0.876 41.711 40.800 0.057 0.000 1.179 3081 D HN 0.538 nan 8.370 nan 0.000 0.456 3082 E N 1.539 121.810 120.200 0.117 0.000 2.058 3082 E HA -0.254 4.098 4.350 0.002 0.000 0.194 3082 E C 0.295 176.922 176.600 0.044 0.000 0.997 3082 E CA 1.251 57.720 56.400 0.114 0.000 0.801 3082 E CB 0.095 29.864 29.700 0.115 0.000 0.746 3082 E HN 0.382 nan 8.360 nan 0.000 0.450 3083 S N -0.932 114.772 115.700 0.008 0.000 3.748 3083 S HA -0.231 4.240 4.470 0.002 0.000 0.329 3083 S C 0.540 175.109 174.600 -0.051 0.000 1.104 3083 S CA 1.077 59.263 58.200 -0.024 0.000 0.954 3083 S CB -1.203 61.995 63.200 -0.004 0.000 0.910 3083 S HN 0.578 nan 8.310 nan 0.000 0.494 3084 R N -0.367 120.087 120.500 -0.077 0.000 2.140 3084 R HA 0.434 4.775 4.340 0.002 0.000 0.200 3084 R C 0.592 176.794 176.300 -0.163 0.000 1.069 3084 R CA 0.423 56.462 56.100 -0.102 0.000 1.088 3084 R CB 0.164 30.410 30.300 -0.090 0.000 1.012 3084 R HN 0.535 nan 8.270 nan 0.000 0.500 3085 L N 2.399 123.502 121.223 -0.201 0.000 2.332 3085 L HA 0.545 4.886 4.340 0.002 0.000 0.269 3085 L C -2.078 174.603 176.870 -0.314 0.000 1.016 3085 L CA -2.405 52.235 54.840 -0.334 0.000 0.809 3085 L CB 1.732 43.572 42.059 -0.366 0.000 1.280 3085 L HN 0.163 nan 8.230 nan 0.000 0.447 3086 P HA 0.400 nan 4.420 nan 0.000 0.284 3086 P C -2.785 174.369 177.300 -0.243 0.000 1.287 3086 P CA -2.209 60.723 63.100 -0.279 0.000 0.824 3086 P CB 0.368 31.911 31.700 -0.262 0.000 1.180 3087 P HA 0.138 nan 4.420 nan 0.000 0.271 3087 P C -0.526 176.721 177.300 -0.088 0.000 1.226 3087 P CA 0.289 63.329 63.100 -0.100 0.000 0.765 3087 P CB -0.060 31.610 31.700 -0.051 0.000 0.835 3088 C N 0.014 119.263 119.300 -0.085 0.000 3.306 3088 C HA 0.709 5.170 4.460 0.002 0.000 0.335 3088 C C 0.164 175.149 174.990 -0.009 0.000 1.382 3088 C CA -0.809 58.200 59.018 -0.015 0.000 1.254 3088 C CB 0.991 28.743 27.740 0.021 0.000 1.555 3088 C HN 0.606 nan 8.230 nan 0.000 0.463 3089 T N -0.930 113.660 114.554 0.061 0.000 2.898 3089 T HA 0.288 4.640 4.350 0.002 0.000 0.301 3089 T C 0.972 175.692 174.700 0.033 0.000 1.049 3089 T CA -0.204 61.940 62.100 0.072 0.000 1.095 3089 T CB 0.511 69.472 68.868 0.154 0.000 0.976 3089 T HN 0.874 nan 8.240 nan 0.000 0.539 3090 I N 1.365 121.929 120.570 -0.011 0.000 2.454 3090 I HA -0.040 4.131 4.170 0.002 0.000 0.254 3090 I C 1.811 177.898 176.117 -0.050 0.000 1.156 3090 I CA 1.161 62.375 61.300 -0.144 0.000 1.433 3090 I CB -0.269 37.670 38.000 -0.102 0.000 1.082 3090 I HN 0.816 nan 8.210 nan 0.000 0.432 3091 F N 1.621 121.582 119.950 0.019 0.000 2.146 3091 F HA -0.257 4.271 4.527 0.002 0.000 0.298 3091 F C 2.457 178.293 175.800 0.060 0.000 1.096 3091 F CA 1.711 59.766 58.000 0.091 0.000 1.275 3091 F CB -0.299 38.750 39.000 0.081 0.000 1.008 3091 F HN 0.092 nan 8.300 nan 0.000 0.480 3092 Q N -0.176 119.729 119.800 0.176 0.000 2.224 3092 Q HA -0.100 4.242 4.340 0.002 0.000 0.203 3092 Q C 2.369 178.478 176.000 0.181 0.000 0.970 3092 Q CA 1.172 57.094 55.803 0.199 0.000 0.865 3092 Q CB -0.376 28.572 28.738 0.350 0.000 0.922 3092 Q HN 0.527 nan 8.270 nan 0.000 0.445 3093 A N 0.156 122.995 122.820 0.031 0.000 1.930 3093 A HA -0.098 4.223 4.320 0.002 0.000 0.215 3093 A C 1.588 179.141 177.584 -0.052 0.000 1.176 3093 A CA 0.833 52.877 52.037 0.011 0.000 0.632 3093 A CB -0.375 18.430 19.000 -0.324 0.000 0.819 3093 A HN 0.243 nan 8.150 nan 0.000 0.445 3094 F N 0.128 120.032 119.950 -0.076 0.000 2.206 3094 F HA 0.040 4.569 4.527 0.003 0.000 0.298 3094 F C 2.211 177.841 175.800 -0.282 0.000 1.090 3094 F CA 1.355 59.260 58.000 -0.159 0.000 1.323 3094 F CB -0.326 38.565 39.000 -0.182 0.000 1.028 3094 F HN 0.203 nan 8.300 nan 0.000 0.492 3095 K N -1.224 118.987 120.400 -0.315 0.000 2.116 3095 K HA -0.124 4.197 4.320 0.002 0.000 0.203 3095 K C 1.176 177.397 176.600 -0.631 0.000 1.052 3095 K CA 1.393 57.304 56.287 -0.625 0.000 0.952 3095 K CB -0.019 31.819 32.500 -1.102 0.000 0.729 3095 K HN 0.231 nan 8.250 nan 0.000 0.446 3096 Y N -2.285 117.890 120.300 -0.209 0.000 2.430 3096 Y HA 0.153 4.705 4.550 0.004 0.000 0.254 3096 Y C 0.729 176.378 175.900 -0.418 0.000 1.088 3096 Y CA -0.185 57.694 58.100 -0.369 0.000 1.267 3096 Y CB 0.530 38.667 38.460 -0.539 0.000 1.204 3096 Y HN 0.006 nan 8.280 nan 0.000 0.515 3097 Y N -0.872 119.461 120.300 0.056 0.000 2.444 3097 Y HA 0.396 4.947 4.550 0.001 0.000 0.252 3097 Y C 0.197 176.116 175.900 0.032 0.000 1.091 3097 Y CA -0.218 57.902 58.100 0.034 0.000 1.276 3097 Y CB 0.932 39.377 38.460 -0.025 0.000 1.170 3097 Y HN -0.240 nan 8.280 nan 0.000 0.517 3098 L N 0.418 121.743 121.223 0.171 0.000 2.346 3098 L HA 0.333 4.674 4.340 0.002 0.000 0.274 3098 L C -0.823 176.110 176.870 0.105 0.000 1.007 3098 L CA -1.045 53.879 54.840 0.140 0.000 0.818 3098 L CB 1.499 43.662 42.059 0.173 0.000 1.284 3098 L HN -0.111 nan 8.230 nan 0.000 0.424 3099 D N 3.310 123.762 120.400 0.087 0.000 2.352 3099 D HA 0.154 4.795 4.640 0.002 0.000 0.245 3099 D C 0.613 176.943 176.300 0.049 0.000 1.224 3099 D CA -0.090 53.944 54.000 0.056 0.000 0.879 3099 D CB 0.887 41.719 40.800 0.053 0.000 1.057 3099 D HN 0.517 nan 8.370 nan 0.000 0.491 3100 I N 1.003 121.583 120.570 0.017 0.000 3.976 3100 I HA 0.150 4.321 4.170 0.002 0.000 0.337 3100 I C 0.798 176.895 176.117 -0.034 0.000 1.359 3100 I CA -0.183 61.106 61.300 -0.019 0.000 1.098 3100 I CB 0.294 38.243 38.000 -0.085 0.000 1.027 3100 I HN 0.177 nan 8.210 nan 0.000 0.394 3101 T N -2.978 111.564 114.554 -0.020 0.000 2.999 3101 T HA 0.157 4.509 4.350 0.002 0.000 0.247 3101 T C 0.962 175.664 174.700 0.003 0.000 1.012 3101 T CA 0.154 62.230 62.100 -0.040 0.000 1.048 3101 T CB -0.493 68.339 68.868 -0.060 0.000 1.020 3101 T HN 0.205 nan 8.240 nan 0.000 0.478 3102 T N 4.882 119.454 114.554 0.031 0.000 2.902 3102 T HA 0.293 4.644 4.350 0.002 0.000 0.301 3102 T C -2.544 172.188 174.700 0.054 0.000 1.012 3102 T CA -0.609 61.522 62.100 0.051 0.000 1.151 3102 T CB 0.489 69.388 68.868 0.052 0.000 0.946 3102 T HN 0.206 nan 8.240 nan 0.000 0.542 3103 P HA 0.166 nan 4.420 nan 0.000 0.266 3103 P C -2.375 175.002 177.300 0.129 0.000 1.195 3103 P CA -1.134 61.996 63.100 0.050 0.000 0.768 3103 P CB -0.425 31.242 31.700 -0.055 0.000 0.838 3104 P HA 0.004 nan 4.420 nan 0.000 0.266 3104 P C 0.076 177.480 177.300 0.174 0.000 1.195 3104 P CA 0.227 63.416 63.100 0.148 0.000 0.768 3104 P CB 0.047 31.834 31.700 0.145 0.000 0.838 3105 T N 0.894 115.463 114.554 0.024 0.000 2.816 3105 T HA 0.220 4.571 4.350 0.002 0.000 0.282 3105 T C -1.844 172.749 174.700 -0.178 0.000 0.993 3105 T CA -1.703 60.381 62.100 -0.026 0.000 0.994 3105 T CB 0.085 68.912 68.868 -0.069 0.000 1.025 3105 T HN 0.150 nan 8.240 nan 0.000 0.529 3106 P HA -0.039 nan 4.420 nan 0.000 0.218 3106 P C 1.528 178.685 177.300 -0.237 0.000 1.148 3106 P CA 0.311 63.157 63.100 -0.422 0.000 0.822 3106 P CB -0.017 31.412 31.700 -0.451 0.000 0.784 3107 L N -0.456 120.672 121.223 -0.158 0.000 2.093 3107 L HA -0.148 4.193 4.340 0.002 0.000 0.208 3107 L C 2.167 178.939 176.870 -0.165 0.000 1.085 3107 L CA 1.891 56.665 54.840 -0.110 0.000 0.755 3107 L CB -1.117 40.911 42.059 -0.051 0.000 0.904 3107 L HN -0.036 nan 8.230 nan 0.000 0.435 3108 Q N -1.217 118.441 119.800 -0.236 0.000 2.230 3108 Q HA -0.106 4.235 4.340 0.002 0.000 0.202 3108 Q C 2.206 177.766 176.000 -0.734 0.000 0.963 3108 Q CA 1.018 56.578 55.803 -0.406 0.000 0.866 3108 Q CB -0.050 28.455 28.738 -0.388 0.000 0.931 3108 Q HN 0.502 nan 8.270 nan 0.000 0.452 3109 L N 0.945 121.851 121.223 -0.528 0.000 2.023 3109 L HA -0.232 4.109 4.340 0.002 0.000 0.205 3109 L C 2.812 179.508 176.870 -0.289 0.000 1.073 3109 L CA 1.546 56.093 54.840 -0.487 0.000 0.745 3109 L CB -0.766 41.113 42.059 -0.300 0.000 0.900 3109 L HN 0.336 nan 8.230 nan 0.000 0.435 3110 Q N 0.229 119.906 119.800 -0.204 0.000 2.156 3110 Q HA -0.337 4.004 4.340 0.002 0.000 0.211 3110 Q C 1.944 177.920 176.000 -0.041 0.000 0.995 3110 Q CA 2.172 57.910 55.803 -0.107 0.000 0.877 3110 Q CB -0.578 28.112 28.738 -0.079 0.000 0.920 3110 Q HN 0.575 nan 8.270 nan 0.000 0.416 3111 Q N 0.017 119.788 119.800 -0.047 0.000 2.124 3111 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 3111 Q C 2.058 178.192 176.000 0.224 0.000 0.977 3111 Q CA 1.567 57.422 55.803 0.086 0.000 0.850 3111 Q CB -0.204 28.582 28.738 0.080 0.000 0.901 3111 Q HN 0.536 nan 8.270 nan 0.000 0.429 3112 F N 0.429 120.350 119.950 -0.048 0.000 2.234 3112 F HA -0.163 4.365 4.527 0.002 0.000 0.299 3112 F C 2.499 178.252 175.800 -0.078 0.000 1.087 3112 F CA -0.094 57.865 58.000 -0.069 0.000 1.340 3112 F CB -0.177 38.771 39.000 -0.087 0.000 1.031 3112 F HN 0.147 nan 8.300 nan 0.000 0.500 3113 A N 0.919 123.796 122.820 0.095 0.000 1.869 3113 A HA -0.304 4.017 4.320 0.002 0.000 0.218 3113 A C 2.126 179.730 177.584 0.033 0.000 1.203 3113 A CA 2.341 54.379 52.037 0.001 0.000 0.638 3113 A CB -1.327 17.650 19.000 -0.038 0.000 0.831 3113 A HN 0.399 nan 8.150 nan 0.000 0.450 3114 S N -1.043 114.696 115.700 0.065 0.000 2.711 3114 S HA 0.171 4.642 4.470 0.002 0.000 0.237 3114 S C 0.911 175.568 174.600 0.095 0.000 0.971 3114 S CA 1.200 59.447 58.200 0.078 0.000 0.964 3114 S CB -0.393 62.870 63.200 0.104 0.000 0.775 3114 S HN 0.387 nan 8.310 nan 0.000 0.540 3115 L N -0.073 121.198 121.223 0.080 0.000 2.966 3115 L HA 0.496 4.837 4.340 0.002 0.000 0.262 3115 L C 0.908 177.794 176.870 0.025 0.000 1.165 3115 L CA 0.016 54.892 54.840 0.060 0.000 0.978 3115 L CB 0.265 42.347 42.059 0.038 0.000 1.337 3115 L HN 0.340 nan 8.230 nan 0.000 0.563 3116 A N 0.142 122.975 122.820 0.020 0.000 2.331 3116 A HA 0.489 4.810 4.320 0.002 0.000 0.283 3116 A C 0.733 178.331 177.584 0.023 0.000 1.142 3116 A CA 0.053 52.099 52.037 0.015 0.000 0.812 3116 A CB 0.089 19.088 19.000 -0.002 0.000 1.074 3116 A HN 0.236 nan 8.150 nan 0.000 0.497 3117 T N 0.374 114.944 114.554 0.027 0.000 3.213 3117 T HA 0.362 4.714 4.350 0.002 0.000 0.240 3117 T C -0.086 174.632 174.700 0.030 0.000 1.033 3117 T CA -0.616 61.500 62.100 0.028 0.000 1.087 3117 T CB -0.874 68.010 68.868 0.027 0.000 1.119 3117 T HN 0.690 nan 8.240 nan 0.000 0.571 3118 N N -0.233 118.486 118.700 0.031 0.000 3.243 3118 N HA 0.261 5.002 4.740 0.002 0.000 0.280 3118 N C -0.289 175.236 175.510 0.026 0.000 1.545 3118 N CA -0.446 52.624 53.050 0.034 0.000 0.854 3118 N CB 2.211 40.729 38.487 0.053 0.000 1.612 3118 N HN 0.133 nan 8.380 nan 0.000 0.577 3119 E N 0.335 120.551 120.200 0.027 0.000 2.288 3119 E HA 0.242 4.593 4.350 0.002 0.000 0.200 3119 E C 1.119 177.730 176.600 0.018 0.000 0.880 3119 E CA 1.047 57.458 56.400 0.018 0.000 0.971 3119 E CB 0.225 29.935 29.700 0.016 0.000 0.954 3119 E HN 0.496 nan 8.360 nan 0.000 0.489 3120 K N 0.888 121.309 120.400 0.034 0.000 2.002 3120 K HA -0.144 4.178 4.320 0.002 0.000 0.209 3120 K C 2.042 178.672 176.600 0.051 0.000 1.048 3120 K CA 1.572 57.885 56.287 0.044 0.000 0.930 3120 K CB -0.249 32.288 32.500 0.063 0.000 0.714 3120 K HN 0.153 nan 8.250 nan 0.000 0.438 3121 E N 1.313 121.565 120.200 0.086 0.000 2.049 3121 E HA -0.236 4.116 4.350 0.002 0.000 0.198 3121 E C 2.149 178.694 176.600 -0.091 0.000 1.007 3121 E CA 1.400 57.859 56.400 0.098 0.000 0.809 3121 E CB -0.105 29.703 29.700 0.180 0.000 0.749 3121 E HN 0.242 nan 8.360 nan 0.000 0.450 3122 K N 0.463 120.830 120.400 -0.055 0.000 2.211 3122 K HA -0.237 4.085 4.320 0.002 0.000 0.204 3122 K C 2.151 178.693 176.600 -0.097 0.000 1.047 3122 K CA 1.172 57.410 56.287 -0.081 0.000 0.935 3122 K CB 0.127 32.608 32.500 -0.032 0.000 0.728 3122 K HN -0.059 nan 8.250 nan 0.000 0.452 3123 Q N 0.190 119.949 119.800 -0.069 0.000 2.163 3123 Q HA 0.015 4.357 4.340 0.002 0.000 0.198 3123 Q C 1.913 177.860 176.000 -0.088 0.000 0.954 3123 Q CA 0.977 56.744 55.803 -0.060 0.000 0.851 3123 Q CB 0.020 28.744 28.738 -0.023 0.000 0.928 3123 Q HN 0.056 nan 8.270 nan 0.000 0.459 3124 R N 0.139 120.581 120.500 -0.098 0.000 2.073 3124 R HA -0.025 4.317 4.340 0.002 0.000 0.234 3124 R C 2.122 178.261 176.300 -0.267 0.000 1.134 3124 R CA 1.068 57.100 56.100 -0.113 0.000 0.952 3124 R CB -0.851 29.454 30.300 0.010 0.000 0.850 3124 R HN 0.359 nan 8.270 nan 0.000 0.433 3125 L N 0.485 121.459 121.223 -0.416 0.000 2.043 3125 L HA -0.239 4.102 4.340 0.002 0.000 0.212 3125 L C 2.499 179.208 176.870 -0.268 0.000 1.075 3125 L CA 1.344 55.908 54.840 -0.461 0.000 0.752 3125 L CB -0.530 41.272 42.059 -0.427 0.000 0.891 3125 L HN 0.179 nan 8.230 nan 0.000 0.432 3126 L N -1.163 119.951 121.223 -0.182 0.000 2.046 3126 L HA -0.198 4.143 4.340 0.002 0.000 0.208 3126 L C 2.547 179.353 176.870 -0.108 0.000 1.077 3126 L CA 0.875 55.642 54.840 -0.122 0.000 0.747 3126 L CB -0.554 41.456 42.059 -0.081 0.000 0.896 3126 L HN 0.053 nan 8.230 nan 0.000 0.432 3127 V N 0.387 120.241 119.914 -0.100 0.000 2.233 3127 V HA -0.325 3.797 4.120 0.002 0.000 0.247 3127 V C 2.387 178.442 176.094 -0.065 0.000 1.050 3127 V CA 1.992 64.254 62.300 -0.064 0.000 1.010 3127 V CB -0.504 31.291 31.823 -0.046 0.000 0.637 3127 V HN 0.360 nan 8.190 nan 0.000 0.444 3128 L N 1.031 122.184 121.223 -0.117 0.000 2.191 3128 L HA -0.145 4.196 4.340 0.002 0.000 0.212 3128 L C 2.651 179.446 176.870 -0.126 0.000 1.103 3128 L CA 1.594 56.388 54.840 -0.076 0.000 0.769 3128 L CB -0.833 41.062 42.059 -0.274 0.000 0.908 3128 L HN 0.573 nan 8.230 nan 0.000 0.438 3129 S N -0.270 115.323 115.700 -0.177 0.000 2.442 3129 S HA -0.163 4.308 4.470 0.002 0.000 0.236 3129 S C 1.084 175.568 174.600 -0.193 0.000 1.007 3129 S CA 0.738 58.815 58.200 -0.205 0.000 0.965 3129 S CB -0.343 62.761 63.200 -0.159 0.000 0.773 3129 S HN 0.384 nan 8.310 nan 0.000 0.504 3130 K N 2.311 122.633 120.400 -0.129 0.000 2.265 3130 K HA 0.297 4.618 4.320 0.002 0.000 0.242 3130 K C 0.419 176.974 176.600 -0.075 0.000 1.137 3130 K CA -0.084 56.151 56.287 -0.088 0.000 1.082 3130 K CB 0.286 32.763 32.500 -0.038 0.000 1.731 3130 K HN 0.359 nan 8.250 nan 0.000 0.392 3131 G N 3.689 112.369 108.800 -0.199 0.000 2.332 3131 G HA2 -0.131 3.831 3.960 0.002 0.000 0.292 3131 G HA3 -0.131 3.831 3.960 0.002 0.000 0.292 3131 G C -0.048 174.922 174.900 0.116 0.000 0.586 3131 G CA 0.597 45.607 45.100 -0.151 0.000 2.045 3131 G HN 0.408 nan 8.290 nan 0.000 0.505 3132 L N -0.788 120.535 121.223 0.168 0.000 2.303 3132 L HA 0.355 4.696 4.340 0.002 0.000 0.256 3132 L C 1.566 178.543 176.870 0.178 0.000 1.034 3132 L CA -1.106 53.825 54.840 0.152 0.000 0.832 3132 L CB 1.234 43.349 42.059 0.093 0.000 1.403 3132 L HN 0.327 nan 8.230 nan 0.000 0.419 3133 Q N 0.297 120.183 119.800 0.143 0.000 2.221 3133 Q HA -0.342 3.999 4.340 0.002 0.000 0.220 3133 Q C 1.528 177.613 176.000 0.142 0.000 1.057 3133 Q CA 2.837 58.720 55.803 0.134 0.000 0.949 3133 Q CB 0.079 28.880 28.738 0.104 0.000 1.077 3133 Q HN 0.583 nan 8.270 nan 0.000 0.436 3134 E N -0.830 119.452 120.200 0.136 0.000 2.058 3134 E HA -0.209 4.143 4.350 0.002 0.000 0.194 3134 E C 1.690 178.404 176.600 0.190 0.000 0.997 3134 E CA 1.579 58.062 56.400 0.137 0.000 0.801 3134 E CB -0.571 29.186 29.700 0.095 0.000 0.746 3134 E HN 0.626 nan 8.360 nan 0.000 0.450 3135 Y N 1.870 122.220 120.300 0.083 0.000 2.220 3135 Y HA -0.094 4.457 4.550 0.002 0.000 0.291 3135 Y C 2.104 178.102 175.900 0.165 0.000 1.129 3135 Y CA 1.592 59.768 58.100 0.127 0.000 1.161 3135 Y CB -0.031 38.461 38.460 0.052 0.000 0.997 3135 Y HN -0.011 nan 8.280 nan 0.000 0.522 3136 E N 0.216 120.415 120.200 -0.003 0.000 2.110 3136 E HA -0.211 4.141 4.350 0.002 0.000 0.193 3136 E C 2.018 178.578 176.600 -0.067 0.000 0.988 3136 E CA 1.504 57.798 56.400 -0.176 0.000 0.804 3136 E CB -0.082 29.661 29.700 0.072 0.000 0.745 3136 E HN 0.680 nan 8.360 nan 0.000 0.458 3137 E N -0.102 120.154 120.200 0.093 0.000 2.072 3137 E HA -0.186 4.165 4.350 0.002 0.000 0.191 3137 E C 1.773 178.469 176.600 0.160 0.000 0.985 3137 E CA 0.761 57.254 56.400 0.154 0.000 0.801 3137 E CB -0.201 29.593 29.700 0.156 0.000 0.750 3137 E HN 0.329 nan 8.360 nan 0.000 0.452 3138 W N 2.668 123.935 121.300 -0.056 0.000 2.352 3138 W HA -0.205 4.456 4.660 0.002 0.000 0.322 3138 W C 2.360 178.818 176.519 -0.103 0.000 1.208 3138 W CA 1.861 59.178 57.345 -0.047 0.000 1.286 3138 W CB -0.301 29.143 29.460 -0.026 0.000 1.167 3138 W HN -0.155 nan 8.180 nan 0.000 0.469 3139 K N -0.594 119.651 120.400 -0.259 0.000 2.001 3139 K HA -0.265 4.056 4.320 0.002 0.000 0.214 3139 K C 2.142 178.599 176.600 -0.238 0.000 1.050 3139 K CA 2.539 58.505 56.287 -0.536 0.000 0.934 3139 K CB -1.107 30.876 32.500 -0.862 0.000 0.718 3139 K HN 0.348 nan 8.250 nan 0.000 0.443 3140 W N -0.022 121.192 121.300 -0.144 0.000 2.358 3140 W HA -0.117 4.544 4.660 0.002 0.000 0.303 3140 W C 2.279 178.781 176.519 -0.028 0.000 1.208 3140 W CA 0.364 57.671 57.345 -0.063 0.000 1.274 3140 W CB -0.410 29.028 29.460 -0.037 0.000 1.138 3140 W HN 0.376 nan 8.180 nan 0.000 0.515 3141 G N 0.573 109.499 108.800 0.210 0.000 2.404 3141 G HA2 -0.212 3.750 3.960 0.002 0.000 0.215 3141 G HA3 -0.212 3.750 3.960 0.002 0.000 0.215 3141 G C 1.402 176.324 174.900 0.036 0.000 1.174 3141 G CA 1.017 46.197 45.100 0.134 0.000 0.780 3141 G HN 0.214 nan 8.290 nan 0.000 0.537 3142 K N -0.488 119.850 120.400 -0.104 0.000 2.276 3142 K HA 0.111 4.432 4.320 0.002 0.000 0.198 3142 K C 0.749 177.245 176.600 -0.173 0.000 1.052 3142 K CA 0.137 56.309 56.287 -0.191 0.000 0.984 3142 K CB 0.144 32.434 32.500 -0.349 0.000 0.836 3142 K HN 0.312 nan 8.250 nan 0.000 0.490 3143 N N 2.111 120.713 118.700 -0.164 0.000 2.688 3143 N HA -0.095 4.646 4.740 0.002 0.000 0.258 3143 N C -2.644 172.866 175.510 -0.001 0.000 1.016 3143 N CA -0.378 52.656 53.050 -0.028 0.000 0.747 3143 N CB -0.146 38.464 38.487 0.205 0.000 0.895 3143 N HN 0.074 nan 8.380 nan 0.000 0.543 3144 P HA 0.043 nan 4.420 nan 0.000 0.271 3144 P C 0.300 177.601 177.300 0.002 0.000 1.216 3144 P CA 0.132 63.161 63.100 -0.118 0.000 0.771 3144 P CB 0.983 32.469 31.700 -0.357 0.000 0.864 3145 T N 0.322 114.897 114.554 0.035 0.000 2.788 3145 T HA 0.173 4.525 4.350 0.002 0.000 0.287 3145 T C 1.731 176.450 174.700 0.033 0.000 1.007 3145 T CA -0.744 61.341 62.100 -0.025 0.000 1.005 3145 T CB 0.208 69.002 68.868 -0.124 0.000 1.012 3145 T HN 0.155 nan 8.240 nan 0.000 0.530 3146 M N 0.582 120.198 119.600 0.027 0.000 2.213 3146 M HA -0.041 4.440 4.480 0.002 0.000 0.263 3146 M C 2.339 178.655 176.300 0.026 0.000 1.062 3146 M CA 0.973 56.315 55.300 0.070 0.000 1.105 3146 M CB -1.491 31.123 32.600 0.024 0.000 1.385 3146 M HN 0.611 nan 8.290 nan 0.000 0.417 3147 V N 0.323 120.218 119.914 -0.032 0.000 2.358 3147 V HA -0.233 3.889 4.120 0.002 0.000 0.246 3147 V C 2.108 178.201 176.094 -0.002 0.000 1.047 3147 V CA 1.631 63.903 62.300 -0.047 0.000 1.035 3147 V CB -0.660 31.119 31.823 -0.073 0.000 0.658 3147 V HN 0.485 nan 8.190 nan 0.000 0.452 3148 E N -0.228 119.986 120.200 0.022 0.000 2.204 3148 E HA -0.140 4.212 4.350 0.002 0.000 0.194 3148 E C 2.187 178.844 176.600 0.094 0.000 0.989 3148 E CA 1.136 57.559 56.400 0.039 0.000 0.824 3148 E CB -0.125 29.600 29.700 0.042 0.000 0.756 3148 E HN 0.467 nan 8.360 nan 0.000 0.477 3149 V N 1.415 121.441 119.914 0.185 0.000 2.307 3149 V HA -0.224 3.898 4.120 0.002 0.000 0.245 3149 V C 2.178 178.451 176.094 0.298 0.000 1.045 3149 V CA 1.381 63.912 62.300 0.384 0.000 1.024 3149 V CB -0.357 31.776 31.823 0.517 0.000 0.651 3149 V HN 0.297 nan 8.190 nan 0.000 0.449 3150 L N -0.313 120.990 121.223 0.134 0.000 2.456 3150 L HA -0.086 4.255 4.340 0.002 0.000 0.224 3150 L C 2.270 179.162 176.870 0.036 0.000 1.148 3150 L CA 1.139 56.008 54.840 0.048 0.000 0.825 3150 L CB -0.404 41.619 42.059 -0.060 0.000 0.937 3150 L HN 0.460 nan 8.230 nan 0.000 0.450 3151 E N -0.571 119.641 120.200 0.021 0.000 2.364 3151 E HA -0.114 4.237 4.350 0.002 0.000 0.196 3151 E C 1.668 178.223 176.600 -0.075 0.000 0.990 3151 E CA 0.056 56.444 56.400 -0.019 0.000 0.886 3151 E CB 0.354 30.041 29.700 -0.023 0.000 0.866 3151 E HN 0.400 nan 8.360 nan 0.000 0.493 3152 E N 0.164 120.277 120.200 -0.145 0.000 2.285 3152 E HA -0.050 4.302 4.350 0.002 0.000 0.194 3152 E C -0.349 175.823 176.600 -0.712 0.000 0.997 3152 E CA 0.536 56.678 56.400 -0.431 0.000 0.845 3152 E CB 0.345 29.720 29.700 -0.542 0.000 0.782 3152 E HN 0.076 nan 8.360 nan 0.000 0.491 3153 F N 0.610 120.601 119.950 0.068 0.000 2.660 3153 F HA 0.299 4.828 4.527 0.002 0.000 0.352 3153 F C -1.913 173.890 175.800 0.006 0.000 1.257 3153 F CA -1.854 56.168 58.000 0.036 0.000 1.200 3153 F CB 1.779 40.804 39.000 0.042 0.000 1.473 3153 F HN -0.063 nan 8.300 nan 0.000 0.561 3154 P HA -0.120 nan 4.420 nan 0.000 0.234 3154 P C 1.225 178.553 177.300 0.048 0.000 1.167 3154 P CA 0.980 64.110 63.100 0.051 0.000 0.763 3154 P CB 0.253 31.966 31.700 0.021 0.000 0.835 3155 S N -1.242 114.502 115.700 0.074 0.000 2.548 3155 S HA 0.083 4.555 4.470 0.002 0.000 0.215 3155 S C 0.946 175.563 174.600 0.028 0.000 0.976 3155 S CA -0.407 57.821 58.200 0.048 0.000 0.908 3155 S CB -0.911 62.322 63.200 0.056 0.000 0.781 3155 S HN 0.008 nan 8.310 nan 0.000 0.519 3156 I N 2.583 123.166 120.570 0.022 0.000 2.598 3156 I HA 0.048 4.219 4.170 0.002 0.000 0.284 3156 I C 0.197 176.277 176.117 -0.062 0.000 1.140 3156 I CA 0.306 61.584 61.300 -0.037 0.000 1.420 3156 I CB 0.518 38.456 38.000 -0.104 0.000 1.387 3156 I HN 0.310 nan 8.210 nan 0.000 0.553 3157 Q N 6.599 126.367 119.800 -0.053 0.000 2.398 3157 Q HA 0.361 4.702 4.340 0.002 0.000 0.251 3157 Q C -0.656 175.291 176.000 -0.089 0.000 0.999 3157 Q CA -0.750 55.026 55.803 -0.044 0.000 0.874 3157 Q CB 1.670 30.410 28.738 0.002 0.000 1.215 3157 Q HN 0.462 nan 8.270 nan 0.000 0.470 3158 M N 5.261 124.782 119.600 -0.132 0.000 2.063 3158 M HA 0.353 4.834 4.480 0.002 0.000 0.348 3158 M C -2.549 173.674 176.300 -0.128 0.000 1.180 3158 M CA -2.236 52.945 55.300 -0.198 0.000 1.059 3158 M CB 0.955 33.398 32.600 -0.262 0.000 1.544 3158 M HN 0.193 nan 8.290 nan 0.000 0.447 3159 P HA 0.315 nan 4.420 nan 0.000 0.284 3159 P C -0.398 176.861 177.300 -0.069 0.000 1.253 3159 P CA -0.302 62.770 63.100 -0.047 0.000 0.800 3159 P CB 0.949 32.676 31.700 0.046 0.000 0.961 3160 A N 2.606 125.440 122.820 0.024 0.000 1.972 3160 A HA -0.158 4.163 4.320 0.002 0.000 0.219 3160 A C 1.892 179.487 177.584 0.018 0.000 1.169 3160 A CA 2.425 54.495 52.037 0.056 0.000 0.635 3160 A CB -1.925 17.118 19.000 0.072 0.000 0.810 3160 A HN 0.617 nan 8.150 nan 0.000 0.446 3161 T N -2.517 112.072 114.554 0.058 0.000 3.072 3161 T HA -0.018 4.334 4.350 0.002 0.000 0.266 3161 T C 1.597 176.245 174.700 -0.088 0.000 1.127 3161 T CA 1.269 63.416 62.100 0.078 0.000 1.107 3161 T CB -0.242 68.829 68.868 0.339 0.000 0.910 3161 T HN 0.215 nan 8.240 nan 0.000 0.513 3162 L N 0.435 121.404 121.223 -0.422 0.000 2.127 3162 L HA 0.370 4.712 4.340 0.002 0.000 0.203 3162 L C 2.243 178.920 176.870 -0.322 0.000 1.080 3162 L CA 1.243 55.550 54.840 -0.889 0.000 0.768 3162 L CB -0.808 40.395 42.059 -1.427 0.000 0.924 3162 L HN 0.263 nan 8.230 nan 0.000 0.444 3163 L N -0.884 120.246 121.223 -0.155 0.000 1.994 3163 L HA -0.213 4.128 4.340 0.002 0.000 0.208 3163 L C 2.484 179.383 176.870 0.048 0.000 1.071 3163 L CA 1.360 56.221 54.840 0.034 0.000 0.745 3163 L CB -0.628 41.533 42.059 0.171 0.000 0.892 3163 L HN 0.263 nan 8.230 nan 0.000 0.431 3164 L N -0.332 120.885 121.223 -0.010 0.000 2.447 3164 L HA -0.174 4.168 4.340 0.002 0.000 0.225 3164 L C 2.291 179.066 176.870 -0.159 0.000 1.148 3164 L CA 1.564 56.333 54.840 -0.119 0.000 0.808 3164 L CB -0.756 41.190 42.059 -0.188 0.000 0.928 3164 L HN 0.526 nan 8.230 nan 0.000 0.448 3165 T N -6.756 107.686 114.554 -0.186 0.000 2.955 3165 T HA 0.066 4.418 4.350 0.002 0.000 0.251 3165 T C 1.623 176.261 174.700 -0.105 0.000 1.002 3165 T CA -0.324 61.635 62.100 -0.236 0.000 0.970 3165 T CB 0.368 68.900 68.868 -0.560 0.000 1.091 3165 T HN 0.058 nan 8.240 nan 0.000 0.495 3166 Q N 0.636 120.399 119.800 -0.062 0.000 2.392 3166 Q HA 0.457 4.798 4.340 0.002 0.000 0.219 3166 Q C 0.762 176.762 176.000 -0.000 0.000 0.895 3166 Q CA 0.050 55.846 55.803 -0.011 0.000 0.929 3166 Q CB 0.203 28.943 28.738 0.004 0.000 1.077 3166 Q HN 0.500 nan 8.270 nan 0.000 0.532 3167 L N 1.505 122.741 121.223 0.022 0.000 2.461 3167 L HA 0.085 4.426 4.340 0.002 0.000 0.272 3167 L C 0.635 177.520 176.870 0.025 0.000 1.197 3167 L CA -0.095 54.773 54.840 0.047 0.000 0.836 3167 L CB 0.485 42.603 42.059 0.099 0.000 1.105 3167 L HN -0.040 nan 8.230 nan 0.000 0.477 3168 S N 2.159 117.874 115.700 0.024 0.000 2.584 3168 S HA 0.308 4.779 4.470 0.002 0.000 0.270 3168 S C 0.024 174.651 174.600 0.046 0.000 1.346 3168 S CA -0.672 57.539 58.200 0.017 0.000 1.018 3168 S CB 0.521 63.729 63.200 0.013 0.000 0.899 3168 S HN 0.278 nan 8.310 nan 0.000 0.542 3169 L N 2.447 123.700 121.223 0.051 0.000 2.426 3169 L HA 0.216 4.557 4.340 0.002 0.000 0.271 3169 L C 0.101 177.065 176.870 0.157 0.000 1.169 3169 L CA -0.705 54.196 54.840 0.101 0.000 0.836 3169 L CB 0.119 42.225 42.059 0.078 0.000 1.112 3169 L HN 0.451 nan 8.230 nan 0.000 0.465 3170 L N 3.331 124.666 121.223 0.186 0.000 2.500 3170 L HA 0.049 4.390 4.340 0.002 0.000 0.272 3170 L C 0.203 177.213 176.870 0.234 0.000 1.149 3170 L CA 0.466 55.399 54.840 0.156 0.000 0.897 3170 L CB 0.347 42.475 42.059 0.114 0.000 1.178 3170 L HN 0.522 nan 8.230 nan 0.000 0.473 3171 Q N 7.170 127.041 119.800 0.117 0.000 2.306 3171 Q HA 0.472 4.814 4.340 0.002 0.000 0.241 3171 Q C -2.313 173.569 176.000 -0.197 0.000 0.948 3171 Q CA -1.581 54.246 55.803 0.039 0.000 0.886 3171 Q CB 0.909 29.655 28.738 0.013 0.000 1.227 3171 Q HN 0.459 nan 8.270 nan 0.000 0.457 3172 P HA 0.351 nan 4.420 nan 0.000 0.284 3172 P C -1.066 175.828 177.300 -0.678 0.000 1.258 3172 P CA -0.598 61.928 63.100 -0.956 0.000 0.824 3172 P CB 1.201 31.897 31.700 -1.674 0.000 1.038 3173 R N 1.397 121.576 120.500 -0.534 0.000 2.407 3173 R HA 0.454 4.796 4.340 0.002 0.000 0.303 3173 R C -0.477 175.428 176.300 -0.659 0.000 0.981 3173 R CA -0.472 55.354 56.100 -0.456 0.000 0.905 3173 R CB -0.010 30.198 30.300 -0.153 0.000 1.099 3173 R HN 0.421 nan 8.270 nan 0.000 0.459 3174 Y N 2.226 122.193 120.300 -0.555 0.000 2.310 3174 Y HA 0.348 4.899 4.550 0.001 0.000 0.326 3174 Y C -0.432 174.904 175.900 -0.941 0.000 1.151 3174 Y CA 0.112 57.861 58.100 -0.584 0.000 1.195 3174 Y CB 0.910 39.053 38.460 -0.527 0.000 1.210 3174 Y HN 0.438 nan 8.280 nan 0.000 0.483 3175 Y N -0.162 120.055 120.300 -0.139 0.000 2.421 3175 Y HA 0.308 4.859 4.550 0.002 0.000 0.339 3175 Y C -0.116 175.718 175.900 -0.110 0.000 0.996 3175 Y CA -1.161 56.823 58.100 -0.194 0.000 1.046 3175 Y CB 1.918 40.274 38.460 -0.173 0.000 1.226 3175 Y HN 0.428 nan 8.280 nan 0.000 0.445 3176 S N 3.997 119.688 115.700 -0.016 0.000 2.498 3176 S HA 0.279 4.750 4.470 0.002 0.000 0.281 3176 S C 0.148 174.726 174.600 -0.036 0.000 1.265 3176 S CA -0.393 57.823 58.200 0.027 0.000 1.071 3176 S CB -0.196 63.014 63.200 0.017 0.000 0.894 3176 S HN 0.417 nan 8.310 nan 0.000 0.491 3177 I N 3.185 123.685 120.570 -0.117 0.000 2.587 3177 I HA -0.008 4.164 4.170 0.002 0.000 0.284 3177 I C 0.869 176.891 176.117 -0.159 0.000 1.134 3177 I CA 0.234 61.406 61.300 -0.214 0.000 1.410 3177 I CB 0.717 38.433 38.000 -0.474 0.000 1.392 3177 I HN 0.539 nan 8.210 nan 0.000 0.545 3178 S N 4.002 119.633 115.700 -0.115 0.000 2.618 3178 S HA 0.135 4.606 4.470 0.002 0.000 0.242 3178 S C 0.128 174.658 174.600 -0.117 0.000 0.972 3178 S CA -0.419 57.717 58.200 -0.108 0.000 1.004 3178 S CB -0.278 62.930 63.200 0.014 0.000 0.778 3178 S HN 0.804 nan 8.310 nan 0.000 0.459 3179 S N 0.172 115.789 115.700 -0.138 0.000 2.564 3179 S HA 0.672 5.144 4.470 0.002 0.000 0.274 3179 S C -0.564 174.063 174.600 0.045 0.000 1.124 3179 S CA -0.740 57.375 58.200 -0.142 0.000 0.869 3179 S CB 1.856 64.755 63.200 -0.502 0.000 1.105 3179 S HN 0.058 nan 8.310 nan 0.000 0.472 3180 S N 1.759 117.493 115.700 0.057 0.000 2.525 3180 S HA 0.541 5.013 4.470 0.002 0.000 0.278 3180 S C -1.624 172.939 174.600 -0.061 0.000 1.234 3180 S CA -1.865 56.343 58.200 0.014 0.000 1.058 3180 S CB 0.947 64.112 63.200 -0.057 0.000 0.983 3180 S HN 0.659 nan 8.310 nan 0.000 0.495 3181 P HA 0.033 nan 4.420 nan 0.000 0.225 3181 P C 0.406 177.456 177.300 -0.417 0.000 1.156 3181 P CA 0.669 63.527 63.100 -0.403 0.000 0.787 3181 P CB 0.181 31.419 31.700 -0.771 0.000 0.802 3182 D N -0.590 119.488 120.400 -0.536 0.000 2.149 3182 D HA -0.049 4.592 4.640 0.002 0.000 0.201 3182 D C 1.972 177.584 176.300 -1.147 0.000 0.972 3182 D CA 0.964 54.409 54.000 -0.926 0.000 0.835 3182 D CB -0.414 39.654 40.800 -1.220 0.000 0.966 3182 D HN 0.144 nan 8.370 nan 0.000 0.476 3183 M N -0.958 118.167 119.600 -0.793 0.000 2.236 3183 M HA -0.102 4.380 4.480 0.002 0.000 0.266 3183 M C -0.161 175.736 176.300 -0.671 0.000 1.070 3183 M CA 1.178 56.135 55.300 -0.573 0.000 1.137 3183 M CB 0.346 32.763 32.600 -0.304 0.000 1.378 3183 M HN -0.155 nan 8.290 nan 0.000 0.426 3184 Y N 0.475 120.653 120.300 -0.204 0.000 2.837 3184 Y HA 0.419 4.970 4.550 0.002 0.000 0.356 3184 Y C -2.384 173.413 175.900 -0.171 0.000 1.035 3184 Y CA -3.087 54.924 58.100 -0.148 0.000 1.165 3184 Y CB -0.169 38.170 38.460 -0.201 0.000 1.147 3184 Y HN 0.091 nan 8.280 nan 0.000 0.628 3185 P HA 0.030 nan 4.420 nan 0.000 0.265 3185 P C -0.088 177.151 177.300 -0.102 0.000 1.193 3185 P CA 0.625 63.649 63.100 -0.126 0.000 0.765 3185 P CB 0.587 32.213 31.700 -0.124 0.000 0.823 3186 D N -0.596 119.729 120.400 -0.125 0.000 2.945 3186 D HA -0.191 4.450 4.640 0.002 0.000 0.225 3186 D C -0.187 175.950 176.300 -0.271 0.000 1.158 3186 D CA 1.326 55.214 54.000 -0.187 0.000 0.805 3186 D CB -1.488 39.171 40.800 -0.235 0.000 1.098 3186 D HN 0.561 nan 8.370 nan 0.000 0.426 3187 E N -0.963 119.183 120.200 -0.089 0.000 2.343 3187 E HA 0.647 4.999 4.350 0.002 0.000 0.270 3187 E C -0.936 175.689 176.600 0.042 0.000 0.895 3187 E CA -0.971 55.405 56.400 -0.040 0.000 0.767 3187 E CB 2.881 32.603 29.700 0.037 0.000 1.248 3187 E HN -0.118 nan 8.360 nan 0.000 0.440 3188 V N 2.617 122.538 119.914 0.013 0.000 2.569 3188 V HA 0.299 4.420 4.120 0.002 0.000 0.301 3188 V C -1.032 175.058 176.094 -0.008 0.000 1.044 3188 V CA -0.651 61.597 62.300 -0.087 0.000 0.874 3188 V CB 1.614 33.355 31.823 -0.137 0.000 1.002 3188 V HN 0.670 nan 8.190 nan 0.000 0.424 3189 H N 4.905 123.826 119.070 -0.248 0.000 2.529 3189 H HA 0.789 5.346 4.556 0.002 0.000 0.348 3189 H C -0.978 174.201 175.328 -0.249 0.000 1.152 3189 H CA -0.926 54.927 56.048 -0.325 0.000 1.202 3189 H CB 2.249 31.874 29.762 -0.228 0.000 1.562 3189 H HN 0.396 nan 8.280 nan 0.000 0.515 3190 L N 1.331 122.457 121.223 -0.161 0.000 2.371 3190 L HA 0.400 4.741 4.340 0.002 0.000 0.262 3190 L C -0.429 176.450 176.870 0.016 0.000 1.006 3190 L CA -0.850 53.937 54.840 -0.088 0.000 0.818 3190 L CB 2.439 44.374 42.059 -0.206 0.000 1.354 3190 L HN 0.580 nan 8.230 nan 0.000 0.415 3191 T N 1.781 116.414 114.554 0.131 0.000 2.821 3191 T HA 0.476 4.827 4.350 0.002 0.000 0.307 3191 T C -0.351 174.447 174.700 0.164 0.000 1.034 3191 T CA -0.351 61.888 62.100 0.233 0.000 0.953 3191 T CB 1.096 70.171 68.868 0.344 0.000 0.968 3191 T HN 0.206 nan 8.240 nan 0.000 0.462 3192 V N 2.932 122.901 119.914 0.092 0.000 2.378 3192 V HA 0.674 4.795 4.120 0.002 0.000 0.288 3192 V C 0.418 176.575 176.094 0.105 0.000 1.016 3192 V CA -1.203 61.151 62.300 0.090 0.000 0.840 3192 V CB 1.255 33.030 31.823 -0.079 0.000 0.994 3192 V HN 1.000 nan 8.190 nan 0.000 0.431 3193 A N 6.412 129.324 122.820 0.154 0.000 2.409 3193 A HA 0.610 4.931 4.320 0.002 0.000 0.267 3193 A C -0.003 177.652 177.584 0.119 0.000 1.127 3193 A CA -0.382 51.733 52.037 0.129 0.000 0.795 3193 A CB -0.009 19.078 19.000 0.145 0.000 1.061 3193 A HN 0.659 nan 8.150 nan 0.000 0.502 3194 I N 4.512 125.137 120.570 0.092 0.000 2.329 3194 I HA 0.068 4.239 4.170 0.002 0.000 0.295 3194 I C 0.305 176.492 176.117 0.117 0.000 1.109 3194 I CA 0.039 61.394 61.300 0.091 0.000 1.297 3194 I CB -0.189 37.847 38.000 0.060 0.000 1.433 3194 I HN 0.251 nan 8.210 nan 0.000 0.509 3195 V N 5.854 125.855 119.914 0.144 0.000 2.637 3195 V HA 0.328 4.449 4.120 0.002 0.000 0.296 3195 V C 0.673 176.905 176.094 0.230 0.000 1.046 3195 V CA 0.274 62.678 62.300 0.173 0.000 1.066 3195 V CB 1.247 33.174 31.823 0.173 0.000 0.968 3195 V HN 0.886 nan 8.190 nan 0.000 0.483 3196 S N 3.870 119.717 115.700 0.245 0.000 2.582 3196 S HA 0.582 5.054 4.470 0.002 0.000 0.296 3196 S C -1.416 173.251 174.600 0.111 0.000 1.118 3196 S CA -0.688 57.613 58.200 0.169 0.000 0.947 3196 S CB 0.652 63.956 63.200 0.174 0.000 1.131 3196 S HN 0.828 nan 8.310 nan 0.000 0.453 3197 Y N 0.964 121.154 120.300 -0.184 0.000 2.655 3197 Y HA 0.756 5.307 4.550 0.002 0.000 0.336 3197 Y C -0.999 174.667 175.900 -0.391 0.000 1.154 3197 Y CA -1.250 56.701 58.100 -0.247 0.000 1.055 3197 Y CB 0.473 38.862 38.460 -0.119 0.000 1.295 3197 Y HN 0.622 nan 8.280 nan 0.000 0.465 3198 H N 0.547 119.535 119.070 -0.136 0.000 2.467 3198 H HA 0.501 5.058 4.556 0.003 0.000 0.326 3198 H C 0.206 175.410 175.328 -0.206 0.000 1.094 3198 H CA -0.240 55.658 56.048 -0.249 0.000 1.253 3198 H CB 1.567 31.228 29.762 -0.168 0.000 1.439 3198 H HN 0.924 nan 8.280 nan 0.000 0.479 3199 T N 0.252 114.674 114.554 -0.219 0.000 2.652 3199 T HA 0.106 4.458 4.350 0.002 0.000 0.319 3199 T C 0.469 175.110 174.700 -0.099 0.000 1.029 3199 T CA -0.962 61.035 62.100 -0.172 0.000 0.990 3199 T CB 0.336 68.998 68.868 -0.343 0.000 1.098 3199 T HN 0.827 nan 8.240 nan 0.000 0.520 3200 R N 0.941 121.403 120.500 -0.063 0.000 3.225 3200 R HA -0.165 4.176 4.340 0.002 0.000 0.245 3200 R C -0.184 176.082 176.300 -0.057 0.000 0.928 3200 R CA 0.735 56.817 56.100 -0.031 0.000 0.632 3200 R CB -2.203 28.070 30.300 -0.045 0.000 1.038 3200 R HN 1.002 nan 8.270 nan 0.000 0.461 3201 D N -0.199 120.118 120.400 -0.139 0.000 3.038 3201 D HA -0.174 4.467 4.640 0.002 0.000 0.229 3201 D C 1.056 177.221 176.300 -0.226 0.000 1.182 3201 D CA 1.994 55.784 54.000 -0.349 0.000 0.852 3201 D CB -1.034 39.725 40.800 -0.069 0.000 0.932 3201 D HN 0.823 nan 8.370 nan 0.000 0.406 3202 G N 1.744 110.428 108.800 -0.193 0.000 2.219 3202 G HA2 -0.361 3.600 3.960 0.002 0.000 0.271 3202 G HA3 -0.361 3.600 3.960 0.002 0.000 0.271 3202 G C 0.878 175.705 174.900 -0.121 0.000 0.991 3202 G CA 0.951 46.006 45.100 -0.074 0.000 0.685 3202 G HN 0.554 nan 8.290 nan 0.000 0.531 3203 E N -0.165 119.968 120.200 -0.111 0.000 2.389 3203 E HA 0.178 4.530 4.350 0.002 0.000 0.199 3203 E C 1.856 178.384 176.600 -0.120 0.000 0.978 3203 E CA 0.709 57.038 56.400 -0.119 0.000 0.912 3203 E CB 0.308 29.961 29.700 -0.078 0.000 0.907 3203 E HN 0.522 nan 8.360 nan 0.000 0.494 3204 G N 2.125 110.864 108.800 -0.102 0.000 2.531 3204 G HA2 0.360 4.322 3.960 0.002 0.000 0.281 3204 G HA3 0.360 4.322 3.960 0.002 0.000 0.281 3204 G C -2.542 172.306 174.900 -0.086 0.000 1.382 3204 G CA -0.963 44.074 45.100 -0.106 0.000 1.045 3204 G HN -0.099 nan 8.290 nan 0.000 0.533 3205 P HA 0.227 nan 4.420 nan 0.000 0.274 3205 P C -0.081 177.153 177.300 -0.110 0.000 1.237 3205 P CA -0.511 62.550 63.100 -0.064 0.000 0.793 3205 P CB 1.113 32.768 31.700 -0.075 0.000 0.977 3206 V N 3.069 122.935 119.914 -0.080 0.000 2.637 3206 V HA 0.061 4.183 4.120 0.002 0.000 0.296 3206 V C -0.296 175.544 176.094 -0.423 0.000 1.046 3206 V CA 0.196 62.255 62.300 -0.401 0.000 1.066 3206 V CB -0.457 31.082 31.823 -0.473 0.000 0.968 3206 V HN 0.467 nan 8.190 nan 0.000 0.483 3207 H N 5.611 124.176 119.070 -0.842 0.000 2.489 3207 H HA 0.483 5.041 4.556 0.003 0.000 0.343 3207 H C -0.936 174.017 175.328 -0.626 0.000 1.086 3207 H CA -1.011 54.599 56.048 -0.729 0.000 1.198 3207 H CB 1.157 30.399 29.762 -0.867 0.000 1.490 3207 H HN 0.723 nan 8.280 nan 0.000 0.504 3208 H N 1.567 120.580 119.070 -0.094 0.000 2.467 3208 H HA 0.123 4.681 4.556 0.002 0.000 0.331 3208 H C 0.575 175.943 175.328 0.067 0.000 1.120 3208 H CA -0.591 55.453 56.048 -0.006 0.000 1.270 3208 H CB 1.473 31.239 29.762 0.007 0.000 1.466 3208 H HN 0.854 nan 8.280 nan 0.000 0.504 3209 G N 1.479 110.440 108.800 0.267 0.000 2.353 3209 G HA2 0.148 4.109 3.960 0.002 0.000 0.239 3209 G HA3 0.148 4.109 3.960 0.002 0.000 0.239 3209 G C 1.082 176.087 174.900 0.175 0.000 1.295 3209 G CA -0.406 44.822 45.100 0.213 0.000 0.884 3209 G HN 0.457 nan 8.290 nan 0.000 0.537 3210 V N 2.222 122.214 119.914 0.131 0.000 2.223 3210 V HA -0.227 3.895 4.120 0.002 0.000 0.244 3210 V C 2.903 179.078 176.094 0.135 0.000 1.045 3210 V CA 2.177 64.536 62.300 0.098 0.000 1.000 3210 V CB -0.851 30.992 31.823 0.034 0.000 0.635 3210 V HN 0.899 nan 8.190 nan 0.000 0.445 3211 C N 0.617 119.998 119.300 0.135 0.000 2.476 3211 C HA -0.104 4.357 4.460 0.002 0.000 0.278 3211 C C 3.421 178.566 174.990 0.258 0.000 1.274 3211 C CA 1.323 60.468 59.018 0.212 0.000 1.713 3211 C CB -0.998 26.865 27.740 0.204 0.000 2.039 3211 C HN 0.797 nan 8.230 nan 0.000 0.484 3212 S N 1.182 117.008 115.700 0.210 0.000 2.370 3212 S HA -0.184 4.287 4.470 0.002 0.000 0.226 3212 S C 1.863 176.522 174.600 0.098 0.000 1.033 3212 S CA 2.222 60.509 58.200 0.146 0.000 1.011 3212 S CB -0.977 62.320 63.200 0.161 0.000 0.852 3212 S HN 0.855 nan 8.310 nan 0.000 0.457 3213 S N -0.282 115.492 115.700 0.124 0.000 2.414 3213 S HA -0.055 4.416 4.470 0.002 0.000 0.227 3213 S C 1.522 176.179 174.600 0.094 0.000 1.022 3213 S CA 0.601 58.837 58.200 0.061 0.000 0.958 3213 S CB -1.006 62.217 63.200 0.038 0.000 0.797 3213 S HN 0.804 nan 8.310 nan 0.000 0.493 3214 W N 2.320 123.600 121.300 -0.034 0.000 2.379 3214 W HA 0.181 4.841 4.660 0.001 0.000 0.307 3214 W C 1.663 178.142 176.519 -0.066 0.000 1.200 3214 W CA 0.879 58.196 57.345 -0.046 0.000 1.297 3214 W CB -0.432 29.013 29.460 -0.024 0.000 1.140 3214 W HN 0.248 nan 8.180 nan 0.000 0.507 3215 L N 1.257 122.442 121.223 -0.062 0.000 2.353 3215 L HA -0.180 4.162 4.340 0.002 0.000 0.220 3215 L C 1.644 178.339 176.870 -0.292 0.000 1.133 3215 L CA 1.263 55.898 54.840 -0.341 0.000 0.798 3215 L CB -0.812 41.119 42.059 -0.214 0.000 0.922 3215 L HN 0.083 nan 8.230 nan 0.000 0.445 3216 N N 0.411 119.004 118.700 -0.178 0.000 2.270 3216 N HA -0.034 4.708 4.740 0.002 0.000 0.198 3216 N C 1.295 176.712 175.510 -0.155 0.000 1.117 3216 N CA 0.133 53.096 53.050 -0.145 0.000 0.845 3216 N CB 0.272 38.708 38.487 -0.084 0.000 0.980 3216 N HN 0.373 nan 8.380 nan 0.000 0.486 3217 R N -0.623 119.749 120.500 -0.214 0.000 2.551 3217 R HA 0.213 4.554 4.340 0.002 0.000 0.316 3217 R C 0.239 176.394 176.300 -0.242 0.000 0.934 3217 R CA -0.287 55.704 56.100 -0.182 0.000 1.117 3217 R CB -0.705 29.522 30.300 -0.122 0.000 1.626 3217 R HN 0.114 nan 8.270 nan 0.000 0.513 3218 I N 0.621 120.945 120.570 -0.410 0.000 2.754 3218 I HA 0.148 4.319 4.170 0.002 0.000 0.285 3218 I C -0.330 175.630 176.117 -0.261 0.000 1.166 3218 I CA -0.315 60.734 61.300 -0.420 0.000 1.417 3218 I CB 0.574 38.136 38.000 -0.731 0.000 1.382 3218 I HN 0.084 nan 8.210 nan 0.000 0.588 3219 Q N 3.645 123.340 119.800 -0.176 0.000 2.227 3219 Q HA 0.530 4.872 4.340 0.002 0.000 0.245 3219 Q C 0.037 175.966 176.000 -0.118 0.000 0.926 3219 Q CA -0.921 54.809 55.803 -0.123 0.000 0.895 3219 Q CB 1.705 30.397 28.738 -0.077 0.000 1.230 3219 Q HN 0.897 nan 8.270 nan 0.000 0.450 3220 A N 1.819 124.582 122.820 -0.096 0.000 2.598 3220 A HA -0.084 4.237 4.320 0.002 0.000 0.239 3220 A C 0.070 177.613 177.584 -0.068 0.000 1.032 3220 A CA 0.959 52.947 52.037 -0.082 0.000 0.760 3220 A CB -0.331 18.633 19.000 -0.060 0.000 0.946 3220 A HN 1.007 nan 8.150 nan 0.000 0.512 3221 D N -0.376 119.984 120.400 -0.067 0.000 2.911 3221 D HA -0.125 4.517 4.640 0.002 0.000 0.199 3221 D C -0.295 175.977 176.300 -0.046 0.000 1.041 3221 D CA 1.930 55.899 54.000 -0.052 0.000 1.013 3221 D CB -0.898 39.876 40.800 -0.043 0.000 1.093 3221 D HN 0.762 nan 8.370 nan 0.000 0.431 3222 D N -0.252 120.110 120.400 -0.063 0.000 2.378 3222 D HA 0.176 4.818 4.640 0.002 0.000 0.238 3222 D C 0.432 176.718 176.300 -0.023 0.000 1.180 3222 D CA -0.018 53.957 54.000 -0.041 0.000 0.895 3222 D CB 0.820 41.575 40.800 -0.075 0.000 1.192 3222 D HN -0.087 nan 8.370 nan 0.000 0.438 3223 V N 1.552 121.480 119.914 0.024 0.000 2.614 3223 V HA 0.153 4.275 4.120 0.002 0.000 0.291 3223 V C 0.351 176.521 176.094 0.126 0.000 1.049 3223 V CA -0.361 61.967 62.300 0.045 0.000 1.038 3223 V CB 1.516 33.352 31.823 0.022 0.000 0.980 3223 V HN 0.205 nan 8.190 nan 0.000 0.481 3224 V N 7.265 127.250 119.914 0.118 0.000 2.305 3224 V HA 0.310 4.431 4.120 0.002 0.000 0.275 3224 V C -2.475 173.730 176.094 0.186 0.000 1.020 3224 V CA -1.745 60.688 62.300 0.221 0.000 0.811 3224 V CB 1.449 33.333 31.823 0.101 0.000 1.031 3224 V HN 0.762 nan 8.190 nan 0.000 0.439 3225 P HA 0.441 nan 4.420 nan 0.000 0.276 3225 P C -0.514 176.950 177.300 0.273 0.000 1.235 3225 P CA 0.006 63.214 63.100 0.180 0.000 0.772 3225 P CB 0.547 32.304 31.700 0.096 0.000 0.871 3226 C N 2.298 121.765 119.300 0.279 0.000 3.231 3226 C HA 0.846 5.307 4.460 0.002 0.000 0.343 3226 C C -1.468 173.713 174.990 0.317 0.000 1.349 3226 C CA -1.131 58.021 59.018 0.224 0.000 1.209 3226 C CB 0.383 28.146 27.740 0.040 0.000 1.475 3226 C HN 0.626 nan 8.230 nan 0.000 0.460 3227 F N -1.245 118.753 119.950 0.079 0.000 2.715 3227 F HA 0.912 5.440 4.527 0.002 0.000 0.318 3227 F C -1.267 174.588 175.800 0.091 0.000 1.141 3227 F CA -1.267 56.788 58.000 0.092 0.000 0.950 3227 F CB 0.949 40.016 39.000 0.112 0.000 1.374 3227 F HN 0.538 nan 8.300 nan 0.000 0.477 3228 V N 1.586 121.612 119.914 0.186 0.000 2.513 3228 V HA 0.586 4.707 4.120 0.002 0.000 0.299 3228 V C -0.665 175.560 176.094 0.217 0.000 1.035 3228 V CA -0.753 61.598 62.300 0.086 0.000 0.889 3228 V CB 1.699 33.603 31.823 0.134 0.000 0.988 3228 V HN 0.811 nan 8.190 nan 0.000 0.440 3229 R N 2.800 123.387 120.500 0.146 0.000 2.435 3229 R HA 0.534 4.875 4.340 0.002 0.000 0.308 3229 R C 0.140 176.513 176.300 0.123 0.000 0.975 3229 R CA -0.382 55.841 56.100 0.205 0.000 0.867 3229 R CB 1.443 31.887 30.300 0.240 0.000 1.171 3229 R HN 0.929 nan 8.270 nan 0.000 0.470 3230 G N 1.837 110.707 108.800 0.117 0.000 2.491 3230 G HA2 0.344 4.305 3.960 0.002 0.000 0.238 3230 G HA3 0.344 4.305 3.960 0.002 0.000 0.238 3230 G C -0.372 174.539 174.900 0.017 0.000 1.277 3230 G CA -0.207 44.952 45.100 0.097 0.000 0.851 3230 G HN 0.633 nan 8.290 nan 0.000 0.573 3231 A N 3.805 126.583 122.820 -0.071 0.000 2.938 3231 A HA 0.616 4.938 4.320 0.002 0.000 0.344 3231 A C -0.946 176.392 177.584 -0.412 0.000 1.142 3231 A CA -1.104 50.855 52.037 -0.129 0.000 0.841 3231 A CB 1.239 20.137 19.000 -0.169 0.000 1.083 3231 A HN 0.496 nan 8.150 nan 0.000 0.479 3232 P HA -0.174 nan 4.420 nan 0.000 0.223 3232 P C 1.083 178.235 177.300 -0.246 0.000 1.144 3232 P CA 1.806 64.629 63.100 -0.462 0.000 0.783 3232 P CB 0.196 31.841 31.700 -0.091 0.000 0.771 3233 S N -2.708 112.965 115.700 -0.045 0.000 2.556 3233 S HA 0.126 4.598 4.470 0.002 0.000 0.216 3233 S C 0.635 175.456 174.600 0.369 0.000 0.970 3233 S CA -0.471 57.834 58.200 0.173 0.000 0.912 3233 S CB -0.827 62.488 63.200 0.192 0.000 0.790 3233 S HN -0.005 nan 8.310 nan 0.000 0.504 3234 F N 2.281 122.258 119.950 0.045 0.000 2.818 3234 F HA 0.469 4.997 4.527 0.002 0.000 0.369 3234 F C 0.030 176.057 175.800 0.378 0.000 1.327 3234 F CA -0.888 57.255 58.000 0.237 0.000 1.211 3234 F CB 0.335 39.478 39.000 0.239 0.000 1.036 3234 F HN 0.229 nan 8.300 nan 0.000 0.510 3235 H N 0.218 119.377 119.070 0.149 0.000 2.502 3235 H HA 0.462 5.019 4.556 0.002 0.000 0.338 3235 H C -0.034 175.129 175.328 -0.276 0.000 1.155 3235 H CA -1.289 54.754 56.048 -0.008 0.000 1.237 3235 H CB 1.812 31.571 29.762 -0.005 0.000 1.534 3235 H HN -0.010 nan 8.280 nan 0.000 0.523 3236 L N 2.953 123.888 121.223 -0.480 0.000 2.499 3236 L HA 0.022 4.363 4.340 0.002 0.000 0.281 3236 L C -1.887 174.791 176.870 -0.321 0.000 1.234 3236 L CA -1.517 52.928 54.840 -0.659 0.000 0.839 3236 L CB -0.081 41.561 42.059 -0.695 0.000 1.104 3236 L HN 0.419 nan 8.230 nan 0.000 0.500 3237 P HA 0.086 nan 4.420 nan 0.000 0.270 3237 P C 0.057 177.264 177.300 -0.154 0.000 1.223 3237 P CA -0.252 62.685 63.100 -0.272 0.000 0.785 3237 P CB 0.555 32.010 31.700 -0.409 0.000 0.923 3238 R N 0.734 121.187 120.500 -0.078 0.000 2.119 3238 R HA -0.007 4.334 4.340 0.002 0.000 0.222 3238 R C 0.706 176.978 176.300 -0.047 0.000 1.088 3238 R CA 0.568 56.637 56.100 -0.053 0.000 0.984 3238 R CB -0.111 30.179 30.300 -0.016 0.000 0.884 3238 R HN 0.443 nan 8.270 nan 0.000 0.447 3239 N N 1.288 119.971 118.700 -0.029 0.000 2.401 3239 N HA 0.031 4.773 4.740 0.002 0.000 0.255 3239 N C -2.058 173.433 175.510 -0.032 0.000 1.110 3239 N CA -1.681 51.362 53.050 -0.010 0.000 0.949 3239 N CB 1.540 40.046 38.487 0.032 0.000 1.110 3239 N HN 0.049 nan 8.380 nan 0.000 0.490 3240 P HA 0.096 nan 4.420 nan 0.000 0.257 3240 P C -0.213 177.069 177.300 -0.030 0.000 1.325 3240 P CA 0.329 63.395 63.100 -0.056 0.000 0.850 3240 P CB 0.602 32.264 31.700 -0.064 0.000 1.324 3241 Q N -0.168 119.629 119.800 -0.006 0.000 2.189 3241 Q HA 0.250 4.592 4.340 0.002 0.000 0.221 3241 Q C 0.127 176.145 176.000 0.030 0.000 0.848 3241 Q CA -0.259 55.548 55.803 0.007 0.000 1.007 3241 Q CB 0.956 29.698 28.738 0.007 0.000 1.116 3241 Q HN 0.132 nan 8.270 nan 0.000 0.481 3242 V N 2.777 122.721 119.914 0.049 0.000 2.769 3242 V HA 0.440 4.562 4.120 0.002 0.000 0.312 3242 V C -2.243 173.911 176.094 0.100 0.000 1.061 3242 V CA -2.079 60.276 62.300 0.093 0.000 0.931 3242 V CB 2.483 34.406 31.823 0.168 0.000 1.010 3242 V HN 0.080 nan 8.190 nan 0.000 0.433 3243 P HA 0.275 nan 4.420 nan 0.000 0.278 3243 P C -1.103 176.293 177.300 0.160 0.000 1.238 3243 P CA -0.241 62.921 63.100 0.103 0.000 0.794 3243 P CB 0.967 32.719 31.700 0.087 0.000 0.955 3244 C N 3.746 123.130 119.300 0.139 0.000 2.441 3244 C HA 0.529 4.990 4.460 0.002 0.000 0.318 3244 C C 0.478 175.566 174.990 0.164 0.000 1.222 3244 C CA -0.476 58.660 59.018 0.196 0.000 1.474 3244 C CB 0.333 28.127 27.740 0.090 0.000 2.125 3244 C HN 0.477 nan 8.230 nan 0.000 0.479 3245 I N 4.320 125.004 120.570 0.189 0.000 2.359 3245 I HA 0.275 4.446 4.170 0.002 0.000 0.284 3245 I C -0.457 175.707 176.117 0.079 0.000 1.018 3245 I CA -0.084 61.286 61.300 0.116 0.000 1.173 3245 I CB 0.688 38.736 38.000 0.080 0.000 1.326 3245 I HN 0.460 nan 8.210 nan 0.000 0.462 3246 L N 7.758 128.942 121.223 -0.064 0.000 2.295 3246 L HA 0.350 4.692 4.340 0.002 0.000 0.288 3246 L C -0.047 176.607 176.870 -0.360 0.000 1.079 3246 L CA -0.736 53.821 54.840 -0.472 0.000 0.830 3246 L CB 0.379 41.875 42.059 -0.938 0.000 1.200 3246 L HN 0.370 nan 8.230 nan 0.000 0.438 3247 V N 0.181 120.062 119.914 -0.055 0.000 2.417 3247 V HA 1.026 5.147 4.120 0.002 0.000 0.291 3247 V C 0.227 176.550 176.094 0.382 0.000 1.024 3247 V CA -0.375 62.005 62.300 0.134 0.000 0.861 3247 V CB 1.250 33.141 31.823 0.113 0.000 0.985 3247 V HN 0.819 nan 8.190 nan 0.000 0.436 3248 G N 5.124 114.158 108.800 0.391 0.000 2.289 3248 G HA2 0.541 4.502 3.960 0.002 0.000 0.315 3248 G HA3 0.541 4.502 3.960 0.002 0.000 0.315 3248 G C -3.452 171.671 174.900 0.372 0.000 1.587 3248 G CA -0.553 44.780 45.100 0.388 0.000 0.949 3248 G HN 0.681 nan 8.290 nan 0.000 0.626 3249 P HA 0.540 nan 4.420 nan 0.000 0.278 3249 P C 1.218 178.606 177.300 0.146 0.000 1.258 3249 P CA 1.012 64.094 63.100 -0.030 0.000 0.811 3249 P CB 1.558 33.144 31.700 -0.190 0.000 1.063 3250 G N 1.531 110.401 108.800 0.118 0.000 2.632 3250 G HA2 -0.389 3.572 3.960 0.002 0.000 0.322 3250 G HA3 -0.389 3.572 3.960 0.002 0.000 0.322 3250 G C 1.178 176.318 174.900 0.400 0.000 1.326 3250 G CA 1.830 47.100 45.100 0.283 0.000 0.986 3250 G HN 0.730 nan 8.290 nan 0.000 0.541 3251 T N -1.177 113.545 114.554 0.280 0.000 2.996 3251 T HA 0.128 4.479 4.350 0.002 0.000 0.271 3251 T C 2.391 177.277 174.700 0.311 0.000 1.126 3251 T CA 1.680 63.972 62.100 0.321 0.000 1.103 3251 T CB -0.650 68.430 68.868 0.353 0.000 0.870 3251 T HN 1.740 nan 8.240 nan 0.000 0.528 3252 G N 1.088 109.966 108.800 0.129 0.000 2.498 3252 G HA2 -0.056 3.906 3.960 0.002 0.000 0.219 3252 G HA3 -0.056 3.906 3.960 0.002 0.000 0.219 3252 G C 1.337 176.236 174.900 -0.002 0.000 1.119 3252 G CA 0.463 45.488 45.100 -0.124 0.000 0.766 3252 G HN 0.622 nan 8.290 nan 0.000 0.552 3253 I N 0.483 121.187 120.570 0.223 0.000 2.546 3253 I HA -0.024 4.147 4.170 0.002 0.000 0.255 3253 I C 2.963 179.094 176.117 0.022 0.000 1.163 3253 I CA 0.965 62.426 61.300 0.267 0.000 1.457 3253 I CB -0.111 38.014 38.000 0.208 0.000 1.092 3253 I HN 0.252 nan 8.210 nan 0.000 0.434 3254 A N 2.465 125.323 122.820 0.063 0.000 1.935 3254 A HA -0.262 4.059 4.320 0.002 0.000 0.224 3254 A C -0.068 177.398 177.584 -0.196 0.000 1.324 3254 A CA 2.791 54.834 52.037 0.010 0.000 0.686 3254 A CB -2.467 16.612 19.000 0.131 0.000 0.837 3254 A HN 0.458 nan 8.150 nan 0.000 0.481 3255 P HA -0.032 nan 4.420 nan 0.000 0.227 3255 P C 0.961 177.914 177.300 -0.577 0.000 1.161 3255 P CA 0.721 63.568 63.100 -0.421 0.000 0.788 3255 P CB -0.219 31.245 31.700 -0.394 0.000 0.822 3256 F N 0.914 120.619 119.950 -0.409 0.000 2.293 3256 F HA 0.038 4.567 4.527 0.002 0.000 0.300 3256 F C 2.643 178.091 175.800 -0.586 0.000 1.086 3256 F CA 0.433 58.222 58.000 -0.352 0.000 1.375 3256 F CB -1.385 37.654 39.000 0.067 0.000 1.045 3256 F HN -0.106 nan 8.300 nan 0.000 0.516 3257 R N 0.425 120.357 120.500 -0.947 0.000 2.237 3257 R HA -0.099 4.243 4.340 0.002 0.000 0.219 3257 R C 2.080 177.744 176.300 -1.060 0.000 1.080 3257 R CA 1.281 56.192 56.100 -1.982 0.000 0.995 3257 R CB -0.104 29.365 30.300 -1.384 0.000 0.875 3257 R HN 0.350 nan 8.270 nan 0.000 0.462 3258 S N -1.154 114.276 115.700 -0.449 0.000 2.483 3258 S HA 0.030 4.501 4.470 0.002 0.000 0.221 3258 S C 1.575 176.222 174.600 0.079 0.000 1.030 3258 S CA -0.226 57.892 58.200 -0.137 0.000 0.925 3258 S CB -0.183 63.019 63.200 0.004 0.000 0.795 3258 S HN 0.152 nan 8.310 nan 0.000 0.511 3259 F N 2.248 122.115 119.950 -0.139 0.000 2.102 3259 F HA 0.064 4.592 4.527 0.002 0.000 0.298 3259 F C 2.169 177.957 175.800 -0.019 0.000 1.105 3259 F CA 0.390 58.353 58.000 -0.062 0.000 1.239 3259 F CB -1.336 37.675 39.000 0.018 0.000 0.991 3259 F HN 0.607 nan 8.300 nan 0.000 0.474 3260 W N 0.467 121.883 121.300 0.192 0.000 2.678 3260 W HA 0.073 4.735 4.660 0.004 0.000 0.256 3260 W C 1.625 178.171 176.519 0.046 0.000 1.280 3260 W CA 0.401 57.753 57.345 0.011 0.000 1.345 3260 W CB -1.380 28.128 29.460 0.081 0.000 1.118 3260 W HN 0.072 nan 8.180 nan 0.000 0.629 3261 Q N 0.427 120.286 119.800 0.099 0.000 2.212 3261 Q HA -0.157 4.185 4.340 0.002 0.000 0.199 3261 Q C 2.168 178.257 176.000 0.148 0.000 0.950 3261 Q CA 1.378 57.280 55.803 0.166 0.000 0.863 3261 Q CB -0.078 28.696 28.738 0.059 0.000 0.944 3261 Q HN 0.319 nan 8.270 nan 0.000 0.465 3262 Q N 0.861 120.709 119.800 0.080 0.000 1.990 3262 Q HA -0.111 4.230 4.340 0.002 0.000 0.200 3262 Q C 1.950 178.007 176.000 0.095 0.000 0.980 3262 Q CA 1.437 57.272 55.803 0.055 0.000 0.832 3262 Q CB 0.033 28.755 28.738 -0.027 0.000 0.897 3262 Q HN 0.047 nan 8.270 nan 0.000 0.427 3263 R N 0.333 120.855 120.500 0.037 0.000 2.117 3263 R HA -0.200 4.141 4.340 0.002 0.000 0.243 3263 R C 2.169 178.493 176.300 0.041 0.000 1.143 3263 R CA 1.895 57.994 56.100 -0.001 0.000 0.968 3263 R CB -0.734 29.521 30.300 -0.076 0.000 0.863 3263 R HN 0.600 nan 8.270 nan 0.000 0.444 3264 Q N -0.805 119.057 119.800 0.103 0.000 2.167 3264 Q HA -0.129 4.213 4.340 0.002 0.000 0.202 3264 Q C 1.750 177.823 176.000 0.120 0.000 0.970 3264 Q CA 1.185 57.053 55.803 0.107 0.000 0.855 3264 Q CB -0.077 28.770 28.738 0.181 0.000 0.911 3264 Q HN 0.283 nan 8.270 nan 0.000 0.438 3265 F N 0.933 120.911 119.950 0.047 0.000 2.270 3265 F HA -0.070 4.459 4.527 0.003 0.000 0.295 3265 F C 1.194 177.028 175.800 0.057 0.000 1.087 3265 F CA 1.246 59.295 58.000 0.082 0.000 1.365 3265 F CB 0.182 39.196 39.000 0.023 0.000 1.056 3265 F HN 0.134 nan 8.300 nan 0.000 0.506 3266 D N 0.495 120.984 120.400 0.149 0.000 2.178 3266 D HA -0.148 4.493 4.640 0.002 0.000 0.202 3266 D C 2.308 178.582 176.300 -0.044 0.000 0.974 3266 D CA 1.382 55.414 54.000 0.054 0.000 0.841 3266 D CB -0.219 40.599 40.800 0.028 0.000 0.953 3266 D HN 0.327 nan 8.370 nan 0.000 0.478 3267 I N 0.363 120.897 120.570 -0.060 0.000 2.188 3267 I HA -0.199 3.973 4.170 0.002 0.000 0.237 3267 I C 2.181 178.194 176.117 -0.173 0.000 1.073 3267 I CA 0.902 62.145 61.300 -0.094 0.000 1.359 3267 I CB -0.210 37.746 38.000 -0.072 0.000 1.083 3267 I HN -0.112 nan 8.210 nan 0.000 0.412 3268 Q N -0.356 119.300 119.800 -0.240 0.000 2.364 3268 Q HA -0.147 4.194 4.340 0.002 0.000 0.207 3268 Q C 1.431 176.972 176.000 -0.765 0.000 0.970 3268 Q CA 0.953 56.487 55.803 -0.447 0.000 0.888 3268 Q CB 0.175 28.632 28.738 -0.467 0.000 0.951 3268 Q HN 0.631 nan 8.270 nan 0.000 0.469 3269 H N -1.655 117.147 119.070 -0.446 0.000 3.207 3269 H HA 0.192 4.750 4.556 0.003 0.000 0.237 3269 H C 0.990 176.144 175.328 -0.290 0.000 0.959 3269 H CA 0.183 55.937 56.048 -0.490 0.000 1.091 3269 H CB 0.738 29.875 29.762 -1.041 0.000 1.447 3269 H HN 0.023 nan 8.280 nan 0.000 0.477 3270 K N 0.931 121.263 120.400 -0.113 0.000 2.404 3270 K HA 0.145 4.466 4.320 0.002 0.000 0.194 3270 K C 0.718 177.289 176.600 -0.048 0.000 1.023 3270 K CA 0.397 56.663 56.287 -0.034 0.000 1.094 3270 K CB 0.880 33.394 32.500 0.022 0.000 0.841 3270 K HN 0.298 nan 8.250 nan 0.000 0.523 3271 G N 2.939 111.689 108.800 -0.083 0.000 2.323 3271 G HA2 -0.283 3.679 3.960 0.002 0.000 0.292 3271 G HA3 -0.283 3.679 3.960 0.002 0.000 0.292 3271 G C 0.000 174.868 174.900 -0.053 0.000 1.040 3271 G CA 0.665 45.721 45.100 -0.073 0.000 0.942 3271 G HN 0.249 nan 8.290 nan 0.000 0.506 3272 M N -1.518 118.052 119.600 -0.050 0.000 2.762 3272 M HA 0.656 5.137 4.480 0.002 0.000 0.306 3272 M C -0.214 176.060 176.300 -0.043 0.000 1.223 3272 M CA -1.048 54.228 55.300 -0.039 0.000 0.896 3272 M CB 1.578 34.159 32.600 -0.032 0.000 1.684 3272 M HN -0.039 nan 8.290 nan 0.000 0.491 3273 N N 1.352 120.030 118.700 -0.036 0.000 2.716 3273 N HA 0.407 5.149 4.740 0.002 0.000 0.253 3273 N C -2.756 172.734 175.510 -0.033 0.000 1.170 3273 N CA -0.953 52.075 53.050 -0.036 0.000 0.807 3273 N CB 0.978 39.447 38.487 -0.030 0.000 1.183 3273 N HN 0.440 nan 8.380 nan 0.000 0.524 3274 P HA 0.114 nan 4.420 nan 0.000 0.282 3274 P C 0.031 177.309 177.300 -0.036 0.000 1.249 3274 P CA -0.448 62.627 63.100 -0.043 0.000 0.806 3274 P CB 1.109 32.772 31.700 -0.062 0.000 0.984 3275 C N 5.033 124.320 119.300 -0.022 0.000 2.519 3275 C HA 0.090 4.551 4.460 0.002 0.000 0.402 3275 C C -1.863 173.118 174.990 -0.015 0.000 1.475 3275 C CA -0.849 58.166 59.018 -0.005 0.000 1.504 3275 C CB -1.820 25.928 27.740 0.014 0.000 2.454 3275 C HN 0.451 nan 8.230 nan 0.000 0.615 3276 P HA 0.071 nan 4.420 nan 0.000 0.269 3276 P C -0.116 177.194 177.300 0.017 0.000 1.211 3276 P CA 0.732 63.824 63.100 -0.013 0.000 0.781 3276 P CB 0.365 32.077 31.700 0.020 0.000 0.877 3277 M N 0.376 119.980 119.600 0.006 0.000 2.753 3277 M HA 0.476 4.958 4.480 0.002 0.000 0.299 3277 M C -0.685 175.819 176.300 0.341 0.000 1.219 3277 M CA -1.044 54.323 55.300 0.112 0.000 0.900 3277 M CB 1.580 34.181 32.600 0.002 0.000 1.628 3277 M HN -0.072 nan 8.290 nan 0.000 0.502 3278 V N 2.107 122.212 119.914 0.319 0.000 2.487 3278 V HA 0.418 4.539 4.120 0.002 0.000 0.298 3278 V C -1.120 175.098 176.094 0.206 0.000 1.028 3278 V CA -0.773 61.703 62.300 0.294 0.000 0.860 3278 V CB 1.851 33.804 31.823 0.217 0.000 0.991 3278 V HN 0.569 nan 8.190 nan 0.000 0.427 3279 L N 6.877 128.119 121.223 0.031 0.000 2.280 3279 L HA 0.642 4.983 4.340 0.002 0.000 0.287 3279 L C -0.434 176.445 176.870 0.015 0.000 1.023 3279 L CA 0.103 54.854 54.840 -0.149 0.000 0.819 3279 L CB 1.594 43.246 42.059 -0.678 0.000 1.212 3279 L HN 0.446 nan 8.230 nan 0.000 0.420 3280 V N 6.961 126.901 119.914 0.044 0.000 2.257 3280 V HA 0.317 4.439 4.120 0.002 0.000 0.269 3280 V C -0.023 176.169 176.094 0.163 0.000 1.040 3280 V CA -0.389 61.971 62.300 0.100 0.000 0.813 3280 V CB 0.102 31.947 31.823 0.035 0.000 1.065 3280 V HN 0.690 nan 8.190 nan 0.000 0.457 3281 F N 2.813 122.745 119.950 -0.031 0.000 2.410 3281 F HA 0.908 5.437 4.527 0.003 0.000 0.324 3281 F C 0.690 176.423 175.800 -0.112 0.000 1.093 3281 F CA -0.324 57.650 58.000 -0.044 0.000 1.028 3281 F CB 1.978 40.931 39.000 -0.079 0.000 1.309 3281 F HN 0.503 nan 8.300 nan 0.000 0.499 3282 G N 0.745 108.855 108.800 -1.150 0.000 2.768 3282 G HA2 0.531 4.492 3.960 0.002 0.000 0.297 3282 G HA3 0.531 4.492 3.960 0.002 0.000 0.297 3282 G C -1.896 172.298 174.900 -1.176 0.000 1.430 3282 G CA -0.417 44.138 45.100 -0.908 0.000 1.030 3282 G HN 1.116 nan 8.290 nan 0.000 0.553 3283 C N 0.499 119.367 119.300 -0.722 0.000 3.293 3283 C HA 0.708 5.170 4.460 0.002 0.000 0.362 3283 C C 1.225 176.191 174.990 -0.041 0.000 1.539 3283 C CA -0.916 57.876 59.018 -0.377 0.000 1.201 3283 C CB 1.150 28.691 27.740 -0.332 0.000 1.770 3283 C HN 0.873 nan 8.230 nan 0.000 0.440 3284 R N 0.233 120.763 120.500 0.050 0.000 2.052 3284 R HA 0.169 4.511 4.340 0.002 0.000 0.226 3284 R C 0.577 176.963 176.300 0.143 0.000 1.145 3284 R CA 1.126 57.286 56.100 0.101 0.000 0.952 3284 R CB -0.044 30.294 30.300 0.063 0.000 0.847 3284 R HN 0.791 nan 8.270 nan 0.000 0.431 3285 Q N 0.041 119.907 119.800 0.110 0.000 2.275 3285 Q HA 0.102 4.443 4.340 0.002 0.000 0.266 3285 Q C 0.309 176.282 176.000 -0.045 0.000 1.002 3285 Q CA -0.280 55.508 55.803 -0.025 0.000 0.761 3285 Q CB 1.790 30.514 28.738 -0.022 0.000 1.255 3285 Q HN 0.226 nan 8.270 nan 0.000 0.446 3286 S N 3.641 119.108 115.700 -0.389 0.000 2.421 3286 S HA -0.297 4.175 4.470 0.002 0.000 0.239 3286 S C 1.171 175.806 174.600 0.058 0.000 1.054 3286 S CA 1.901 60.030 58.200 -0.118 0.000 1.035 3286 S CB -0.307 62.623 63.200 -0.450 0.000 0.840 3286 S HN 0.792 nan 8.310 nan 0.000 0.475 3287 K N -0.182 120.205 120.400 -0.021 0.000 2.404 3287 K HA 0.265 4.586 4.320 0.002 0.000 0.194 3287 K C 1.085 177.708 176.600 0.038 0.000 1.023 3287 K CA 0.135 56.426 56.287 0.008 0.000 1.094 3287 K CB 0.085 32.570 32.500 -0.026 0.000 0.841 3287 K HN 0.393 nan 8.250 nan 0.000 0.523 3288 I N 1.210 121.817 120.570 0.062 0.000 3.623 3288 I HA 0.017 4.188 4.170 0.002 0.000 0.253 3288 I C 0.624 176.804 176.117 0.105 0.000 1.144 3288 I CA 0.511 61.851 61.300 0.067 0.000 1.461 3288 I CB -0.497 37.531 38.000 0.047 0.000 1.575 3288 I HN -0.032 nan 8.210 nan 0.000 0.445 3289 D N 0.053 120.533 120.400 0.134 0.000 2.349 3289 D HA -0.041 4.601 4.640 0.002 0.000 0.224 3289 D C 0.910 177.365 176.300 0.258 0.000 1.029 3289 D CA 0.547 54.641 54.000 0.157 0.000 0.879 3289 D CB -0.599 40.267 40.800 0.110 0.000 0.906 3289 D HN 0.305 nan 8.370 nan 0.000 0.528 3290 H N 0.987 120.204 119.070 0.245 0.000 2.970 3290 H HA 0.136 4.694 4.556 0.002 0.000 0.226 3290 H C 0.458 175.912 175.328 0.211 0.000 1.909 3290 H CA -0.575 55.680 56.048 0.346 0.000 1.388 3290 H CB -0.714 29.228 29.762 0.300 0.000 1.773 3290 H HN 0.151 nan 8.280 nan 0.000 0.559 3291 I N -0.858 119.883 120.570 0.285 0.000 2.710 3291 I HA -0.077 4.094 4.170 0.002 0.000 0.286 3291 I C -0.220 175.921 176.117 0.040 0.000 1.181 3291 I CA -0.509 60.789 61.300 -0.004 0.000 1.430 3291 I CB 0.174 38.072 38.000 -0.171 0.000 1.367 3291 I HN 0.501 nan 8.210 nan 0.000 0.577 3292 Y N 2.490 122.854 120.300 0.107 0.000 3.929 3292 Y HA -0.238 4.314 4.550 0.002 0.000 0.225 3292 Y C 1.719 177.641 175.900 0.037 0.000 1.200 3292 Y CA 1.078 59.232 58.100 0.090 0.000 1.791 3292 Y CB -2.012 36.575 38.460 0.211 0.000 1.561 3292 Y HN 0.689 nan 8.280 nan 0.000 0.657 3293 R N 0.925 121.524 120.500 0.165 0.000 2.062 3293 R HA -0.202 4.140 4.340 0.002 0.000 0.231 3293 R C 2.103 178.361 176.300 -0.070 0.000 1.136 3293 R CA 1.882 57.979 56.100 -0.005 0.000 0.948 3293 R CB -0.133 30.012 30.300 -0.259 0.000 0.845 3293 R HN 0.667 nan 8.270 nan 0.000 0.430 3294 E N 0.268 120.451 120.200 -0.027 0.000 2.153 3294 E HA -0.209 4.142 4.350 0.002 0.000 0.194 3294 E C 1.591 178.176 176.600 -0.024 0.000 0.988 3294 E CA 1.397 57.779 56.400 -0.029 0.000 0.811 3294 E CB 0.136 29.835 29.700 -0.001 0.000 0.746 3294 E HN 0.442 nan 8.360 nan 0.000 0.466 3295 E N -0.505 119.707 120.200 0.020 0.000 2.072 3295 E HA -0.143 4.208 4.350 0.002 0.000 0.191 3295 E C 2.237 178.682 176.600 -0.258 0.000 0.985 3295 E CA 1.686 58.094 56.400 0.013 0.000 0.801 3295 E CB -0.021 29.812 29.700 0.222 0.000 0.750 3295 E HN 0.446 nan 8.360 nan 0.000 0.452 3296 T N 0.073 114.367 114.554 -0.433 0.000 2.857 3296 T HA -0.113 4.238 4.350 0.002 0.000 0.266 3296 T C 1.983 176.475 174.700 -0.347 0.000 1.048 3296 T CA 0.451 62.128 62.100 -0.705 0.000 1.139 3296 T CB -0.297 68.132 68.868 -0.732 0.000 0.874 3296 T HN -0.024 nan 8.240 nan 0.000 0.455 3297 L N 1.361 122.451 121.223 -0.221 0.000 1.971 3297 L HA -0.125 4.217 4.340 0.002 0.000 0.215 3297 L C 2.995 179.812 176.870 -0.088 0.000 1.072 3297 L CA 2.194 56.952 54.840 -0.136 0.000 0.758 3297 L CB -0.848 41.148 42.059 -0.106 0.000 0.889 3297 L HN 0.373 nan 8.230 nan 0.000 0.433 3298 Q N -1.088 118.669 119.800 -0.072 0.000 2.096 3298 Q HA -0.248 4.093 4.340 0.002 0.000 0.204 3298 Q C 2.075 178.064 176.000 -0.018 0.000 0.982 3298 Q CA 1.848 57.633 55.803 -0.029 0.000 0.850 3298 Q CB -0.271 28.468 28.738 0.002 0.000 0.901 3298 Q HN 0.635 nan 8.270 nan 0.000 0.422 3299 A N 0.766 123.558 122.820 -0.045 0.000 2.076 3299 A HA -0.222 4.099 4.320 0.002 0.000 0.220 3299 A C 1.942 179.572 177.584 0.076 0.000 1.160 3299 A CA 1.675 53.715 52.037 0.005 0.000 0.653 3299 A CB -0.446 18.509 19.000 -0.075 0.000 0.801 3299 A HN 0.401 nan 8.150 nan 0.000 0.455 3300 K N -0.411 120.038 120.400 0.082 0.000 2.044 3300 K HA -0.067 4.255 4.320 0.002 0.000 0.204 3300 K C 1.558 178.174 176.600 0.027 0.000 1.049 3300 K CA 0.999 57.339 56.287 0.087 0.000 0.945 3300 K CB -0.183 32.335 32.500 0.031 0.000 0.724 3300 K HN 0.361 nan 8.250 nan 0.000 0.440 3301 N N 1.178 119.880 118.700 0.003 0.000 2.430 3301 N HA -0.129 4.612 4.740 0.002 0.000 0.186 3301 N C 0.595 176.100 175.510 -0.007 0.000 1.032 3301 N CA 1.060 54.107 53.050 -0.006 0.000 0.893 3301 N CB 0.149 38.629 38.487 -0.011 0.000 0.957 3301 N HN 0.288 nan 8.380 nan 0.000 0.442 3302 K N -0.838 119.559 120.400 -0.005 0.000 2.358 3302 K HA 0.183 4.504 4.320 0.002 0.000 0.200 3302 K C 0.816 177.402 176.600 -0.024 0.000 1.030 3302 K CA 0.285 56.562 56.287 -0.016 0.000 1.097 3302 K CB 0.919 33.413 32.500 -0.010 0.000 0.862 3302 K HN 0.084 nan 8.250 nan 0.000 0.534 3303 G N 0.910 109.700 108.800 -0.016 0.000 2.176 3303 G HA2 -0.262 3.700 3.960 0.002 0.000 0.253 3303 G HA3 -0.262 3.700 3.960 0.002 0.000 0.253 3303 G C 0.862 175.730 174.900 -0.053 0.000 0.979 3303 G CA 0.336 45.422 45.100 -0.024 0.000 0.641 3303 G HN 0.119 nan 8.290 nan 0.000 0.530 3304 V N -0.467 119.395 119.914 -0.088 0.000 2.323 3304 V HA 0.238 4.359 4.120 0.002 0.000 0.244 3304 V C 1.328 177.213 176.094 -0.349 0.000 1.041 3304 V CA 1.674 63.832 62.300 -0.237 0.000 1.025 3304 V CB -0.301 31.343 31.823 -0.299 0.000 0.656 3304 V HN 0.320 nan 8.190 nan 0.000 0.451 3305 F N -0.608 119.329 119.950 -0.021 0.000 2.443 3305 F HA 0.438 4.966 4.527 0.002 0.000 0.335 3305 F C 1.222 177.009 175.800 -0.021 0.000 1.104 3305 F CA -0.378 57.607 58.000 -0.025 0.000 1.013 3305 F CB 1.371 40.329 39.000 -0.070 0.000 1.136 3305 F HN -0.237 nan 8.300 nan 0.000 0.470 3306 R N 1.045 121.672 120.500 0.213 0.000 2.062 3306 R HA 0.081 4.423 4.340 0.002 0.000 0.226 3306 R C -0.327 176.030 176.300 0.096 0.000 1.125 3306 R CA 1.217 57.391 56.100 0.124 0.000 0.966 3306 R CB 0.337 30.711 30.300 0.123 0.000 0.861 3306 R HN 0.647 nan 8.270 nan 0.000 0.433 3307 E N 0.060 120.328 120.200 0.113 0.000 2.392 3307 E HA 0.269 4.620 4.350 0.002 0.000 0.279 3307 E C -1.427 175.111 176.600 -0.105 0.000 0.964 3307 E CA -0.618 55.758 56.400 -0.041 0.000 0.777 3307 E CB 2.275 31.930 29.700 -0.075 0.000 1.249 3307 E HN 0.080 nan 8.360 nan 0.000 0.449 3308 L N 2.297 123.350 121.223 -0.285 0.000 2.319 3308 L HA 0.457 4.798 4.340 0.002 0.000 0.281 3308 L C -1.213 175.482 176.870 -0.291 0.000 1.005 3308 L CA -0.787 53.893 54.840 -0.266 0.000 0.828 3308 L CB 0.532 42.430 42.059 -0.268 0.000 1.227 3308 L HN 0.421 nan 8.230 nan 0.000 0.415 3309 Y N 1.310 121.577 120.300 -0.056 0.000 2.328 3309 Y HA 0.457 5.008 4.550 0.002 0.000 0.337 3309 Y C 0.447 176.325 175.900 -0.036 0.000 0.966 3309 Y CA -0.568 57.516 58.100 -0.027 0.000 1.136 3309 Y CB 2.064 40.512 38.460 -0.019 0.000 1.170 3309 Y HN 0.419 nan 8.280 nan 0.000 0.470 3310 T N 2.639 117.224 114.554 0.051 0.000 2.856 3310 T HA 0.810 5.162 4.350 0.002 0.000 0.283 3310 T C -0.581 173.913 174.700 -0.343 0.000 1.008 3310 T CA -0.819 61.180 62.100 -0.167 0.000 0.997 3310 T CB 1.482 70.217 68.868 -0.222 0.000 0.992 3310 T HN 0.677 nan 8.240 nan 0.000 0.454 3311 A N 2.531 125.066 122.820 -0.474 0.000 2.331 3311 A HA 0.786 5.107 4.320 0.002 0.000 0.320 3311 A C -1.520 175.747 177.584 -0.528 0.000 1.138 3311 A CA -0.727 51.100 52.037 -0.351 0.000 0.790 3311 A CB 0.691 19.607 19.000 -0.141 0.000 1.206 3311 A HN 0.848 nan 8.150 nan 0.000 0.470 3312 Y N 1.057 121.348 120.300 -0.015 0.000 2.429 3312 Y HA 0.414 4.966 4.550 0.002 0.000 0.342 3312 Y C 1.344 177.251 175.900 0.013 0.000 1.004 3312 Y CA 0.026 58.114 58.100 -0.021 0.000 1.075 3312 Y CB 2.579 41.039 38.460 -0.000 0.000 1.214 3312 Y HN 0.754 nan 8.280 nan 0.000 0.455 3313 S N 0.641 116.452 115.700 0.185 0.000 2.520 3313 S HA 0.237 4.709 4.470 0.002 0.000 0.219 3313 S C 0.727 175.387 174.600 0.100 0.000 1.028 3313 S CA -0.312 57.977 58.200 0.147 0.000 0.921 3313 S CB 0.218 63.556 63.200 0.230 0.000 0.844 3313 S HN 0.753 nan 8.310 nan 0.000 0.495 3314 R N 1.043 121.601 120.500 0.098 0.000 2.642 3314 R HA 0.314 4.656 4.340 0.002 0.000 0.435 3314 R C -0.940 175.378 176.300 0.029 0.000 1.046 3314 R CA -0.304 55.829 56.100 0.055 0.000 1.103 3314 R CB 0.506 30.836 30.300 0.050 0.000 1.425 3314 R HN 0.218 nan 8.270 nan 0.000 0.586 3315 E N 2.369 122.586 120.200 0.028 0.000 2.220 3315 E HA 0.053 4.405 4.350 0.002 0.000 0.272 3315 E C -1.642 174.949 176.600 -0.015 0.000 1.099 3315 E CA -1.878 54.504 56.400 -0.030 0.000 0.907 3315 E CB 1.208 30.869 29.700 -0.066 0.000 1.022 3315 E HN 0.030 nan 8.360 nan 0.000 0.428 3316 P HA -0.138 nan 4.420 nan 0.000 0.226 3316 P C 0.181 177.473 177.300 -0.013 0.000 1.146 3316 P CA 0.964 64.057 63.100 -0.013 0.000 0.773 3316 P CB 0.526 32.218 31.700 -0.013 0.000 0.772 3317 D N -0.009 120.379 120.400 -0.019 0.000 2.125 3317 D HA -0.007 4.635 4.640 0.002 0.000 0.266 3317 D C 1.113 177.411 176.300 -0.003 0.000 1.124 3317 D CA 0.432 54.424 54.000 -0.013 0.000 0.913 3317 D CB -0.981 39.807 40.800 -0.019 0.000 0.964 3317 D HN 0.162 nan 8.370 nan 0.000 0.370 3318 R N 1.256 121.759 120.500 0.006 0.000 2.905 3318 R HA 0.247 4.588 4.340 0.002 0.000 0.273 3318 R C -2.198 174.113 176.300 0.018 0.000 1.033 3318 R CA -0.841 55.271 56.100 0.020 0.000 1.182 3318 R CB -1.222 29.105 30.300 0.046 0.000 1.097 3318 R HN 0.049 nan 8.270 nan 0.000 0.504 3319 P HA -0.009 nan 4.420 nan 0.000 0.274 3319 P C -1.037 176.258 177.300 -0.008 0.000 1.260 3319 P CA -0.399 62.696 63.100 -0.008 0.000 0.793 3319 P CB 0.420 32.109 31.700 -0.020 0.000 1.048 3320 K N 1.376 121.745 120.400 -0.052 0.000 2.171 3320 K HA 0.097 4.418 4.320 0.002 0.000 0.274 3320 K C -0.260 176.247 176.600 -0.155 0.000 1.110 3320 K CA -0.341 55.893 56.287 -0.089 0.000 0.952 3320 K CB -0.546 31.861 32.500 -0.155 0.000 1.309 3320 K HN 0.242 nan 8.250 nan 0.000 0.414 3321 K N 3.902 124.276 120.400 -0.043 0.000 2.211 3321 K HA 0.179 4.501 4.320 0.002 0.000 0.275 3321 K C -0.864 175.795 176.600 0.098 0.000 1.024 3321 K CA -0.679 55.592 56.287 -0.026 0.000 0.887 3321 K CB 0.963 33.472 32.500 0.016 0.000 1.084 3321 K HN 0.328 nan 8.250 nan 0.000 0.463 3322 Y N 0.656 120.928 120.300 -0.046 0.000 2.480 3322 Y HA 0.050 4.602 4.550 0.003 0.000 0.323 3322 Y C 1.975 177.834 175.900 -0.067 0.000 1.267 3322 Y CA -1.311 56.750 58.100 -0.064 0.000 1.336 3322 Y CB 1.735 40.167 38.460 -0.047 0.000 1.361 3322 Y HN 0.450 nan 8.280 nan 0.000 0.518 3323 V N -1.479 118.481 119.914 0.077 0.000 2.626 3323 V HA -0.236 3.885 4.120 0.002 0.000 0.252 3323 V C 1.112 177.231 176.094 0.042 0.000 1.067 3323 V CA 1.508 63.821 62.300 0.020 0.000 1.081 3323 V CB -0.685 31.135 31.823 -0.005 0.000 0.686 3323 V HN 0.792 nan 8.190 nan 0.000 0.468 3324 Q N 0.815 120.662 119.800 0.079 0.000 2.224 3324 Q HA -0.093 4.248 4.340 0.002 0.000 0.203 3324 Q C 1.864 177.894 176.000 0.049 0.000 0.970 3324 Q CA 1.756 57.600 55.803 0.068 0.000 0.865 3324 Q CB -0.410 28.382 28.738 0.090 0.000 0.922 3324 Q HN 0.670 nan 8.270 nan 0.000 0.445 3325 D N -0.701 119.733 120.400 0.058 0.000 2.289 3325 D HA -0.036 4.606 4.640 0.002 0.000 0.207 3325 D C 1.495 177.798 176.300 0.006 0.000 0.966 3325 D CA 0.532 54.547 54.000 0.024 0.000 0.868 3325 D CB 0.344 41.152 40.800 0.013 0.000 0.943 3325 D HN 0.100 nan 8.370 nan 0.000 0.514 3326 V N 0.995 120.908 119.914 -0.001 0.000 2.649 3326 V HA -0.092 4.029 4.120 0.002 0.000 0.248 3326 V C 2.550 178.586 176.094 -0.096 0.000 1.054 3326 V CA 0.607 62.887 62.300 -0.033 0.000 1.073 3326 V CB -0.145 31.663 31.823 -0.024 0.000 0.699 3326 V HN 0.157 nan 8.190 nan 0.000 0.463 3327 L N -0.264 120.919 121.223 -0.068 0.000 1.989 3327 L HA -0.256 4.086 4.340 0.002 0.000 0.211 3327 L C 2.721 179.556 176.870 -0.058 0.000 1.071 3327 L CA 1.963 56.758 54.840 -0.074 0.000 0.749 3327 L CB -0.675 41.375 42.059 -0.015 0.000 0.890 3327 L HN 0.389 nan 8.230 nan 0.000 0.431 3328 Q N -0.059 119.726 119.800 -0.025 0.000 2.020 3328 Q HA -0.176 4.166 4.340 0.002 0.000 0.198 3328 Q C 1.795 177.783 176.000 -0.022 0.000 0.974 3328 Q CA 1.237 57.030 55.803 -0.016 0.000 0.829 3328 Q CB -0.165 28.571 28.738 -0.003 0.000 0.894 3328 Q HN 0.515 nan 8.270 nan 0.000 0.433 3329 E N 0.240 120.429 120.200 -0.018 0.000 2.516 3329 E HA -0.103 4.248 4.350 0.002 0.000 0.199 3329 E C 0.896 177.495 176.600 -0.003 0.000 1.069 3329 E CA 0.439 56.835 56.400 -0.007 0.000 0.876 3329 E CB 0.262 29.963 29.700 0.003 0.000 0.843 3329 E HN 0.348 nan 8.360 nan 0.000 0.530 3330 Q N -1.473 118.304 119.800 -0.039 0.000 1.925 3330 Q HA 0.114 4.455 4.340 0.002 0.000 0.211 3330 Q C 0.229 176.155 176.000 -0.124 0.000 0.698 3330 Q CA 0.126 55.906 55.803 -0.039 0.000 0.840 3330 Q CB 0.891 29.628 28.738 -0.002 0.000 1.218 3330 Q HN 0.086 nan 8.270 nan 0.000 0.432 3331 L N -0.445 120.672 121.223 -0.175 0.000 3.429 3331 L HA 0.411 4.752 4.340 0.002 0.000 0.311 3331 L C 1.368 178.201 176.870 -0.061 0.000 1.274 3331 L CA 0.291 55.031 54.840 -0.166 0.000 1.037 3331 L CB 0.537 42.394 42.059 -0.337 0.000 1.433 3331 L HN 0.081 nan 8.230 nan 0.000 0.614 3332 A N -0.031 122.769 122.820 -0.033 0.000 1.997 3332 A HA -0.231 4.090 4.320 0.002 0.000 0.221 3332 A C 2.173 179.784 177.584 0.045 0.000 1.172 3332 A CA 2.185 54.225 52.037 0.005 0.000 0.645 3332 A CB -0.159 18.837 19.000 -0.007 0.000 0.813 3332 A HN 0.546 nan 8.150 nan 0.000 0.454 3333 E N -0.859 119.365 120.200 0.039 0.000 2.086 3333 E HA -0.039 4.312 4.350 0.002 0.000 0.190 3333 E C 2.265 178.932 176.600 0.112 0.000 0.975 3333 E CA 0.874 57.323 56.400 0.080 0.000 0.813 3333 E CB -0.060 29.670 29.700 0.050 0.000 0.768 3333 E HN 0.561 nan 8.360 nan 0.000 0.457 3334 S N 0.634 116.375 115.700 0.068 0.000 2.399 3334 S HA -0.116 4.355 4.470 0.002 0.000 0.231 3334 S C 2.134 176.774 174.600 0.068 0.000 1.022 3334 S CA 0.718 58.958 58.200 0.067 0.000 0.983 3334 S CB -0.032 63.198 63.200 0.050 0.000 0.803 3334 S HN 0.042 nan 8.310 nan 0.000 0.480 3335 V N 0.325 120.279 119.914 0.066 0.000 2.379 3335 V HA -0.128 3.993 4.120 0.002 0.000 0.245 3335 V C 1.901 178.052 176.094 0.095 0.000 1.044 3335 V CA 1.576 63.919 62.300 0.072 0.000 1.036 3335 V CB -0.686 31.175 31.823 0.064 0.000 0.664 3335 V HN 0.576 nan 8.190 nan 0.000 0.453 3336 Y N 1.313 121.625 120.300 0.019 0.000 2.181 3336 Y HA -0.225 4.327 4.550 0.003 0.000 0.288 3336 Y C 2.745 178.659 175.900 0.024 0.000 1.146 3336 Y CA 2.155 60.259 58.100 0.007 0.000 1.164 3336 Y CB -0.227 38.218 38.460 -0.024 0.000 0.982 3336 Y HN 0.050 nan 8.280 nan 0.000 0.515 3337 R N 0.108 120.610 120.500 0.003 0.000 2.092 3337 R HA -0.118 4.223 4.340 0.002 0.000 0.231 3337 R C 2.301 178.551 176.300 -0.082 0.000 1.119 3337 R CA 1.099 57.166 56.100 -0.055 0.000 0.970 3337 R CB -0.438 29.906 30.300 0.073 0.000 0.864 3337 R HN 0.471 nan 8.270 nan 0.000 0.440 3338 A N 0.984 123.788 122.820 -0.027 0.000 1.841 3338 A HA -0.094 4.227 4.320 0.002 0.000 0.214 3338 A C 2.062 179.632 177.584 -0.024 0.000 1.195 3338 A CA 1.033 53.068 52.037 -0.003 0.000 0.611 3338 A CB -0.592 18.430 19.000 0.037 0.000 0.835 3338 A HN 0.314 nan 8.150 nan 0.000 0.443 3339 L N -1.338 119.881 121.223 -0.007 0.000 2.465 3339 L HA -0.056 4.285 4.340 0.002 0.000 0.224 3339 L C 2.305 179.243 176.870 0.113 0.000 1.145 3339 L CA 1.512 56.391 54.840 0.066 0.000 0.834 3339 L CB -0.231 41.955 42.059 0.212 0.000 0.944 3339 L HN 0.411 nan 8.230 nan 0.000 0.451 3340 K N -0.114 120.221 120.400 -0.108 0.000 2.344 3340 K HA 0.052 4.373 4.320 0.002 0.000 0.200 3340 K C 1.617 178.147 176.600 -0.118 0.000 1.132 3340 K CA 0.591 56.780 56.287 -0.164 0.000 0.935 3340 K CB 0.517 32.590 32.500 -0.711 0.000 1.089 3340 K HN 0.161 nan 8.250 nan 0.000 0.496 3341 E N -0.555 119.566 120.200 -0.131 0.000 2.354 3341 E HA 0.074 4.425 4.350 0.002 0.000 0.203 3341 E C 1.303 177.889 176.600 -0.023 0.000 0.841 3341 E CA 0.056 56.422 56.400 -0.056 0.000 1.046 3341 E CB 0.365 30.041 29.700 -0.041 0.000 1.040 3341 E HN 0.166 nan 8.360 nan 0.000 0.504 3342 Q N 0.585 120.372 119.800 -0.020 0.000 2.444 3342 Q HA 0.090 4.431 4.340 0.002 0.000 0.206 3342 Q C 0.556 176.560 176.000 0.007 0.000 0.948 3342 Q CA 0.469 56.275 55.803 0.004 0.000 0.946 3342 Q CB 0.537 29.286 28.738 0.019 0.000 1.027 3342 Q HN 0.374 nan 8.270 nan 0.000 0.513 3343 G N 1.096 109.886 108.800 -0.016 0.000 2.273 3343 G HA2 -0.263 3.698 3.960 0.002 0.000 0.280 3343 G HA3 -0.263 3.698 3.960 0.002 0.000 0.280 3343 G C 0.368 175.237 174.900 -0.053 0.000 1.047 3343 G CA -0.070 45.009 45.100 -0.035 0.000 0.869 3343 G HN 0.503 nan 8.290 nan 0.000 0.502 3344 G N -1.343 107.429 108.800 -0.045 0.000 2.653 3344 G HA2 0.542 4.503 3.960 0.002 0.000 0.265 3344 G HA3 0.542 4.503 3.960 0.002 0.000 0.265 3344 G C -0.298 174.499 174.900 -0.171 0.000 1.237 3344 G CA -0.493 44.606 45.100 -0.002 0.000 0.946 3344 G HN 0.486 nan 8.290 nan 0.000 0.522 3345 H N -1.147 117.994 119.070 0.117 0.000 2.679 3345 H HA 0.447 5.005 4.556 0.003 0.000 0.360 3345 H C -1.101 174.336 175.328 0.181 0.000 1.105 3345 H CA -0.367 55.777 56.048 0.160 0.000 1.196 3345 H CB 2.607 32.577 29.762 0.345 0.000 1.636 3345 H HN 0.343 nan 8.280 nan 0.000 0.531 3346 I N 2.969 123.618 120.570 0.133 0.000 2.466 3346 I HA 0.245 4.416 4.170 0.002 0.000 0.289 3346 I C -1.520 174.573 176.117 -0.040 0.000 1.026 3346 I CA -0.562 60.765 61.300 0.045 0.000 1.078 3346 I CB 0.975 38.868 38.000 -0.178 0.000 1.249 3346 I HN 0.364 nan 8.210 nan 0.000 0.429 3347 Y N 6.124 126.466 120.300 0.070 0.000 2.335 3347 Y HA 0.599 5.150 4.550 0.002 0.000 0.338 3347 Y C -0.371 175.755 175.900 0.377 0.000 0.977 3347 Y CA -0.871 57.364 58.100 0.225 0.000 1.114 3347 Y CB 1.785 40.360 38.460 0.191 0.000 1.182 3347 Y HN 0.163 nan 8.280 nan 0.000 0.463 3348 V N 3.235 123.484 119.914 0.557 0.000 2.448 3348 V HA 0.512 4.634 4.120 0.002 0.000 0.295 3348 V C -0.559 175.802 176.094 0.445 0.000 1.025 3348 V CA -0.876 61.690 62.300 0.443 0.000 0.859 3348 V CB 1.596 33.579 31.823 0.266 0.000 0.988 3348 V HN 0.913 nan 8.190 nan 0.000 0.431 3349 C N 4.266 123.733 119.300 0.278 0.000 2.535 3349 C HA 0.985 5.446 4.460 0.002 0.000 0.319 3349 C C 0.410 175.171 174.990 -0.382 0.000 1.171 3349 C CA 0.728 59.666 59.018 -0.134 0.000 1.394 3349 C CB 0.416 27.952 27.740 -0.339 0.000 1.990 3349 C HN 1.557 nan 8.230 nan 0.000 0.466 3350 G N 4.438 112.779 108.800 -0.765 0.000 2.260 3350 G HA2 0.124 4.085 3.960 0.002 0.000 0.250 3350 G HA3 0.124 4.085 3.960 0.002 0.000 0.250 3350 G C -0.970 173.605 174.900 -0.541 0.000 1.340 3350 G CA -0.014 44.502 45.100 -0.972 0.000 1.056 3350 G HN 0.962 nan 8.290 nan 0.000 0.471 3351 D N 0.007 120.209 120.400 -0.330 0.000 2.525 3351 D HA 0.071 4.713 4.640 0.002 0.000 0.235 3351 D C 1.776 177.971 176.300 -0.175 0.000 1.137 3351 D CA 0.672 54.559 54.000 -0.187 0.000 0.868 3351 D CB 1.618 42.317 40.800 -0.168 0.000 1.180 3351 D HN 0.698 nan 8.370 nan 0.000 0.465 3352 V N 4.027 123.830 119.914 -0.184 0.000 2.490 3352 V HA -0.231 3.890 4.120 0.002 0.000 0.250 3352 V C 2.133 178.105 176.094 -0.204 0.000 1.061 3352 V CA 2.450 64.626 62.300 -0.207 0.000 1.064 3352 V CB -0.356 31.185 31.823 -0.469 0.000 0.670 3352 V HN 0.755 nan 8.190 nan 0.000 0.461 3353 T N 0.657 115.078 114.554 -0.222 0.000 2.643 3353 T HA -0.210 4.142 4.350 0.002 0.000 0.264 3353 T C 1.878 176.503 174.700 -0.125 0.000 1.045 3353 T CA 2.135 64.132 62.100 -0.173 0.000 1.155 3353 T CB -0.365 68.402 68.868 -0.167 0.000 0.863 3353 T HN 0.462 nan 8.240 nan 0.000 0.420 3354 M N 1.807 121.321 119.600 -0.144 0.000 2.073 3354 M HA -0.137 4.345 4.480 0.002 0.000 0.258 3354 M C 2.476 178.744 176.300 -0.054 0.000 1.070 3354 M CA 2.372 57.596 55.300 -0.127 0.000 1.103 3354 M CB -1.156 31.341 32.600 -0.171 0.000 1.321 3354 M HN 0.270 nan 8.290 nan 0.000 0.405 3355 A N -0.132 122.662 122.820 -0.044 0.000 1.978 3355 A HA -0.035 4.286 4.320 0.002 0.000 0.220 3355 A C 2.330 179.945 177.584 0.052 0.000 1.170 3355 A CA 2.307 54.364 52.037 0.034 0.000 0.636 3355 A CB -1.046 17.979 19.000 0.041 0.000 0.810 3355 A HN 0.721 nan 8.150 nan 0.000 0.448 3356 A N -0.179 122.636 122.820 -0.008 0.000 1.898 3356 A HA -0.035 4.287 4.320 0.002 0.000 0.214 3356 A C 1.691 179.281 177.584 0.011 0.000 1.183 3356 A CA 1.559 53.588 52.037 -0.013 0.000 0.622 3356 A CB -0.441 18.519 19.000 -0.066 0.000 0.824 3356 A HN 0.410 nan 8.150 nan 0.000 0.444 3357 D N -0.171 120.232 120.400 0.005 0.000 2.178 3357 D HA -0.091 4.551 4.640 0.002 0.000 0.201 3357 D C 1.903 178.236 176.300 0.055 0.000 0.980 3357 D CA 1.185 55.201 54.000 0.027 0.000 0.842 3357 D CB -0.252 40.568 40.800 0.034 0.000 0.948 3357 D HN 0.221 nan 8.370 nan 0.000 0.472 3358 V N 0.741 120.697 119.914 0.070 0.000 2.379 3358 V HA -0.147 3.975 4.120 0.002 0.000 0.245 3358 V C 2.409 178.599 176.094 0.160 0.000 1.044 3358 V CA 0.919 63.285 62.300 0.109 0.000 1.036 3358 V CB -0.402 31.495 31.823 0.123 0.000 0.664 3358 V HN 0.196 nan 8.190 nan 0.000 0.453 3359 L N -0.026 121.298 121.223 0.168 0.000 1.994 3359 L HA -0.164 4.177 4.340 0.002 0.000 0.208 3359 L C 2.670 179.601 176.870 0.101 0.000 1.071 3359 L CA 1.795 56.733 54.840 0.162 0.000 0.745 3359 L CB -0.418 41.684 42.059 0.072 0.000 0.892 3359 L HN 0.173 nan 8.230 nan 0.000 0.431 3360 K N 0.158 120.597 120.400 0.065 0.000 2.211 3360 K HA -0.135 4.186 4.320 0.002 0.000 0.204 3360 K C 1.939 178.572 176.600 0.055 0.000 1.047 3360 K CA 1.218 57.533 56.287 0.047 0.000 0.935 3360 K CB -0.356 32.161 32.500 0.028 0.000 0.728 3360 K HN 0.534 nan 8.250 nan 0.000 0.452 3361 A N 1.614 124.476 122.820 0.071 0.000 1.843 3361 A HA -0.048 4.274 4.320 0.002 0.000 0.213 3361 A C 2.234 179.865 177.584 0.078 0.000 1.202 3361 A CA 0.765 52.840 52.037 0.064 0.000 0.607 3361 A CB -0.489 18.550 19.000 0.066 0.000 0.847 3361 A HN 0.125 nan 8.150 nan 0.000 0.445 3362 I N -0.164 120.477 120.570 0.119 0.000 2.208 3362 I HA -0.333 3.838 4.170 0.002 0.000 0.245 3362 I C 2.813 179.007 176.117 0.129 0.000 1.097 3362 I CA 1.869 63.257 61.300 0.148 0.000 1.363 3362 I CB -0.365 37.785 38.000 0.250 0.000 1.051 3362 I HN 0.560 nan 8.210 nan 0.000 0.413 3363 Q N 1.003 120.872 119.800 0.114 0.000 2.181 3363 Q HA -0.255 4.086 4.340 0.002 0.000 0.205 3363 Q C 2.200 178.228 176.000 0.046 0.000 0.980 3363 Q CA 1.697 57.550 55.803 0.083 0.000 0.862 3363 Q CB 0.116 28.891 28.738 0.062 0.000 0.905 3363 Q HN 0.371 nan 8.270 nan 0.000 0.429 3364 R N 0.028 120.552 120.500 0.040 0.000 2.100 3364 R HA 0.093 4.434 4.340 0.002 0.000 0.220 3364 R C 2.116 178.421 176.300 0.009 0.000 1.091 3364 R CA 0.969 57.079 56.100 0.016 0.000 0.986 3364 R CB -0.254 30.054 30.300 0.013 0.000 0.888 3364 R HN 0.304 nan 8.270 nan 0.000 0.444 3365 I N 0.414 121.002 120.570 0.029 0.000 2.657 3365 I HA -0.249 3.923 4.170 0.002 0.000 0.261 3365 I C 1.452 177.586 176.117 0.028 0.000 1.212 3365 I CA 0.873 62.189 61.300 0.027 0.000 1.453 3365 I CB -0.233 37.802 38.000 0.059 0.000 1.092 3365 I HN 0.156 nan 8.210 nan 0.000 0.452 3366 M N -0.183 119.435 119.600 0.029 0.000 2.287 3366 M HA -0.045 4.436 4.480 0.002 0.000 0.266 3366 M C 2.345 178.612 176.300 -0.055 0.000 1.079 3366 M CA 1.449 56.750 55.300 0.002 0.000 1.146 3366 M CB -1.382 31.169 32.600 -0.081 0.000 1.374 3366 M HN 0.190 nan 8.290 nan 0.000 0.435 3367 T N 0.738 115.264 114.554 -0.046 0.000 2.542 3367 T HA -0.165 4.186 4.350 0.002 0.000 0.257 3367 T C 1.860 176.510 174.700 -0.082 0.000 1.111 3367 T CA 1.319 63.386 62.100 -0.055 0.000 1.203 3367 T CB -0.528 68.320 68.868 -0.034 0.000 0.866 3367 T HN 0.334 nan 8.240 nan 0.000 0.399 3368 Q N 0.763 120.520 119.800 -0.071 0.000 1.954 3368 Q HA -0.292 4.050 4.340 0.002 0.000 0.215 3368 Q C 2.589 178.502 176.000 -0.145 0.000 1.026 3368 Q CA 2.147 57.898 55.803 -0.087 0.000 0.881 3368 Q CB -0.332 28.367 28.738 -0.064 0.000 0.977 3368 Q HN 0.416 nan 8.270 nan 0.000 0.416 3369 Q N -0.991 118.694 119.800 -0.193 0.000 2.226 3369 Q HA -0.093 4.249 4.340 0.002 0.000 0.204 3369 Q C 1.638 177.284 176.000 -0.590 0.000 0.975 3369 Q CA 1.570 57.167 55.803 -0.344 0.000 0.866 3369 Q CB -0.073 28.454 28.738 -0.352 0.000 0.915 3369 Q HN 0.479 nan 8.270 nan 0.000 0.440 3370 G N -2.101 106.379 108.800 -0.534 0.000 2.944 3370 G HA2 0.046 4.008 3.960 0.002 0.000 0.220 3370 G HA3 0.046 4.008 3.960 0.002 0.000 0.220 3370 G C -0.550 174.241 174.900 -0.182 0.000 1.100 3370 G CA -0.374 44.437 45.100 -0.482 0.000 0.780 3370 G HN -0.005 nan 8.290 nan 0.000 0.539 3371 K N -0.407 119.907 120.400 -0.143 0.000 4.823 3371 K HA -0.093 4.229 4.320 0.002 0.000 0.357 3371 K C -0.831 175.736 176.600 -0.055 0.000 1.055 3371 K CA 0.453 56.689 56.287 -0.085 0.000 1.110 3371 K CB -1.884 30.572 32.500 -0.074 0.000 1.617 3371 K HN 0.428 nan 8.250 nan 0.000 0.424 3372 L N 0.377 121.569 121.223 -0.052 0.000 2.465 3372 L HA 0.407 4.748 4.340 0.002 0.000 0.257 3372 L C 0.757 177.610 176.870 -0.029 0.000 0.988 3372 L CA -0.945 53.874 54.840 -0.036 0.000 0.827 3372 L CB 2.161 44.192 42.059 -0.046 0.000 1.397 3372 L HN 0.450 nan 8.230 nan 0.000 0.410 3373 S N -0.507 115.183 115.700 -0.017 0.000 2.624 3373 S HA 0.319 4.790 4.470 0.002 0.000 0.263 3373 S C 0.999 175.596 174.600 -0.005 0.000 1.287 3373 S CA 0.246 58.439 58.200 -0.012 0.000 0.990 3373 S CB 1.400 64.596 63.200 -0.008 0.000 0.950 3373 S HN 0.761 nan 8.310 nan 0.000 0.561 3374 E N -0.573 119.625 120.200 -0.003 0.000 2.501 3374 E HA 0.060 4.411 4.350 0.002 0.000 0.203 3374 E C 1.503 178.108 176.600 0.009 0.000 1.072 3374 E CA 1.608 58.010 56.400 0.003 0.000 0.885 3374 E CB -1.658 28.043 29.700 0.002 0.000 0.813 3374 E HN 0.978 nan 8.360 nan 0.000 0.556 3375 E N -0.092 120.113 120.200 0.008 0.000 2.485 3375 E HA 0.073 4.424 4.350 0.002 0.000 0.213 3375 E C 1.458 178.071 176.600 0.022 0.000 0.923 3375 E CA 0.458 56.864 56.400 0.010 0.000 1.054 3375 E CB 0.137 29.838 29.700 0.003 0.000 1.077 3375 E HN 0.431 nan 8.360 nan 0.000 0.509 3376 D N -0.543 119.871 120.400 0.023 0.000 2.366 3376 D HA 0.262 4.903 4.640 0.002 0.000 0.205 3376 D C 1.823 178.157 176.300 0.057 0.000 1.022 3376 D CA 1.089 55.111 54.000 0.036 0.000 0.868 3376 D CB 0.976 41.786 40.800 0.017 0.000 0.953 3376 D HN 0.427 nan 8.370 nan 0.000 0.514 3377 A N 0.412 123.255 122.820 0.038 0.000 2.035 3377 A HA 0.311 4.633 4.320 0.002 0.000 0.208 3377 A C 2.178 179.839 177.584 0.128 0.000 1.206 3377 A CA 0.978 53.036 52.037 0.034 0.000 0.773 3377 A CB -0.400 18.586 19.000 -0.024 0.000 0.878 3377 A HN 0.202 nan 8.150 nan 0.000 0.469 3378 G N -0.315 108.532 108.800 0.078 0.000 2.408 3378 G HA2 -0.039 3.922 3.960 0.002 0.000 0.217 3378 G HA3 -0.039 3.922 3.960 0.002 0.000 0.217 3378 G C 1.262 176.199 174.900 0.061 0.000 1.150 3378 G CA 1.425 46.562 45.100 0.063 0.000 0.776 3378 G HN 0.294 nan 8.290 nan 0.000 0.542 3379 V N 0.420 120.374 119.914 0.068 0.000 3.406 3379 V HA 0.081 4.203 4.120 0.002 0.000 0.263 3379 V C 2.036 178.173 176.094 0.072 0.000 1.172 3379 V CA 0.844 63.167 62.300 0.038 0.000 1.140 3379 V CB -0.400 31.435 31.823 0.020 0.000 0.784 3379 V HN 0.440 nan 8.190 nan 0.000 0.467 3380 F N 0.801 120.733 119.950 -0.030 0.000 2.367 3380 F HA 0.050 4.579 4.527 0.003 0.000 0.298 3380 F C 1.800 177.577 175.800 -0.037 0.000 1.094 3380 F CA 1.358 59.343 58.000 -0.025 0.000 1.409 3380 F CB -0.095 38.902 39.000 -0.005 0.000 1.064 3380 F HN 0.109 nan 8.300 nan 0.000 0.528 3381 I N -0.469 120.173 120.570 0.120 0.000 2.761 3381 I HA -0.150 4.021 4.170 0.002 0.000 0.261 3381 I C 2.549 178.549 176.117 -0.195 0.000 1.198 3381 I CA 0.966 62.226 61.300 -0.068 0.000 1.482 3381 I CB -0.608 37.377 38.000 -0.026 0.000 1.100 3381 I HN 0.255 nan 8.210 nan 0.000 0.445 3382 S N 1.157 116.779 115.700 -0.131 0.000 2.387 3382 S HA -0.165 4.307 4.470 0.002 0.000 0.226 3382 S C 2.236 176.744 174.600 -0.153 0.000 1.026 3382 S CA 1.122 59.242 58.200 -0.133 0.000 0.972 3382 S CB -0.156 62.987 63.200 -0.095 0.000 0.814 3382 S HN 0.358 nan 8.310 nan 0.000 0.477 3383 R N 0.115 120.501 120.500 -0.190 0.000 2.189 3383 R HA 0.136 4.477 4.340 0.002 0.000 0.218 3383 R C 2.084 178.226 176.300 -0.263 0.000 1.074 3383 R CA 0.722 56.697 56.100 -0.207 0.000 0.991 3383 R CB -0.176 29.989 30.300 -0.225 0.000 0.883 3383 R HN 0.438 nan 8.270 nan 0.000 0.457 3384 L N -0.079 120.939 121.223 -0.340 0.000 2.068 3384 L HA -0.062 4.279 4.340 0.002 0.000 0.204 3384 L C 2.438 179.206 176.870 -0.169 0.000 1.076 3384 L CA 1.139 55.802 54.840 -0.294 0.000 0.753 3384 L CB -0.324 41.573 42.059 -0.270 0.000 0.910 3384 L HN 0.138 nan 8.230 nan 0.000 0.439 3385 R N -0.161 120.251 120.500 -0.147 0.000 2.193 3385 R HA -0.127 4.215 4.340 0.002 0.000 0.229 3385 R C 1.150 177.414 176.300 -0.060 0.000 1.110 3385 R CA 0.944 56.991 56.100 -0.089 0.000 0.988 3385 R CB -0.151 30.087 30.300 -0.103 0.000 0.871 3385 R HN 0.421 nan 8.270 nan 0.000 0.458 3386 D N -0.233 120.123 120.400 -0.073 0.000 2.366 3386 D HA -0.027 4.615 4.640 0.002 0.000 0.205 3386 D C 0.598 176.874 176.300 -0.040 0.000 1.022 3386 D CA 0.616 54.595 54.000 -0.034 0.000 0.868 3386 D CB 0.279 41.060 40.800 -0.031 0.000 0.953 3386 D HN 0.037 nan 8.370 nan 0.000 0.514 3387 D N 0.344 120.697 120.400 -0.078 0.000 2.349 3387 D HA -0.038 4.604 4.640 0.002 0.000 0.215 3387 D C 0.208 176.482 176.300 -0.043 0.000 1.016 3387 D CA 0.164 54.124 54.000 -0.067 0.000 0.870 3387 D CB -0.043 40.688 40.800 -0.116 0.000 0.917 3387 D HN -0.035 nan 8.370 nan 0.000 0.524 3388 N N -0.316 118.341 118.700 -0.072 0.000 2.783 3388 N HA -0.205 4.536 4.740 0.002 0.000 0.247 3388 N C 0.210 175.616 175.510 -0.174 0.000 1.089 3388 N CA 0.376 53.370 53.050 -0.092 0.000 0.690 3388 N CB -0.784 37.737 38.487 0.056 0.000 0.991 3388 N HN 0.212 nan 8.380 nan 0.000 0.552 3389 R N -1.113 119.224 120.500 -0.272 0.000 2.373 3389 R HA 0.148 4.490 4.340 0.002 0.000 0.221 3389 R C -0.387 175.699 176.300 -0.357 0.000 0.893 3389 R CA 0.040 55.955 56.100 -0.308 0.000 1.049 3389 R CB 0.605 30.603 30.300 -0.504 0.000 1.119 3389 R HN 0.309 nan 8.270 nan 0.000 0.535 3390 Y N 2.417 122.412 120.300 -0.509 0.000 2.464 3390 Y HA 0.278 4.829 4.550 0.002 0.000 0.326 3390 Y C -0.851 174.822 175.900 -0.377 0.000 0.969 3390 Y CA -1.294 56.615 58.100 -0.317 0.000 1.270 3390 Y CB 0.210 38.579 38.460 -0.151 0.000 1.103 3390 Y HN -0.002 nan 8.280 nan 0.000 0.491 3391 H N 5.002 124.010 119.070 -0.103 0.000 2.489 3391 H HA 0.385 4.943 4.556 0.002 0.000 0.322 3391 H C -0.723 174.848 175.328 0.404 0.000 1.091 3391 H CA -0.564 55.514 56.048 0.049 0.000 1.291 3391 H CB 1.428 30.893 29.762 -0.494 0.000 1.436 3391 H HN 0.648 nan 8.280 nan 0.000 0.480 3392 E N 1.821 122.384 120.200 0.605 0.000 2.248 3392 E HA 0.192 4.543 4.350 0.002 0.000 0.267 3392 E C -1.089 175.672 176.600 0.268 0.000 0.877 3392 E CA -0.691 55.993 56.400 0.474 0.000 0.759 3392 E CB 2.263 32.186 29.700 0.373 0.000 1.182 3392 E HN 0.478 nan 8.360 nan 0.000 0.418 3393 D N 2.943 123.338 120.400 -0.008 0.000 2.346 3393 D HA 0.208 4.850 4.640 0.002 0.000 0.255 3393 D C -0.947 175.304 176.300 -0.082 0.000 1.276 3393 D CA -0.446 53.422 54.000 -0.220 0.000 0.941 3393 D CB 0.545 40.822 40.800 -0.872 0.000 1.199 3393 D HN 0.218 nan 8.370 nan 0.000 0.537 3394 I N 4.340 124.935 120.570 0.043 0.000 2.416 3394 I HA 0.120 4.292 4.170 0.002 0.000 0.288 3394 I C 1.063 177.331 176.117 0.252 0.000 1.051 3394 I CA 0.068 61.425 61.300 0.096 0.000 1.375 3394 I CB 0.300 38.391 38.000 0.153 0.000 1.407 3394 I HN 0.517 nan 8.210 nan 0.000 0.516 3395 F N 3.583 123.497 119.950 -0.059 0.000 2.754 3395 F HA 0.248 4.776 4.527 0.003 0.000 0.297 3395 F C 1.569 177.354 175.800 -0.026 0.000 1.122 3395 F CA 0.322 58.274 58.000 -0.080 0.000 1.400 3395 F CB 0.580 39.529 39.000 -0.085 0.000 1.117 3395 F HN 0.762 nan 8.300 nan 0.000 0.587 3396 G N 0.440 109.380 108.800 0.235 0.000 2.416 3396 G HA2 -0.180 3.782 3.960 0.002 0.000 0.203 3396 G HA3 -0.180 3.782 3.960 0.002 0.000 0.203 3396 G C -1.146 173.793 174.900 0.065 0.000 1.227 3396 G CA -0.766 44.487 45.100 0.254 0.000 1.041 3396 G HN -0.168 nan 8.290 nan 0.000 0.546 3397 V N 2.031 121.955 119.914 0.016 0.000 2.270 3397 V HA 0.483 4.604 4.120 0.002 0.000 0.263 3397 V C 1.494 177.560 176.094 -0.048 0.000 1.066 3397 V CA 1.005 63.245 62.300 -0.100 0.000 0.857 3397 V CB 0.182 31.916 31.823 -0.147 0.000 1.099 3397 V HN 1.419 nan 8.190 nan 0.000 0.476 3398 T N 1.744 116.281 114.554 -0.030 0.000 3.014 3398 T HA 0.362 4.713 4.350 0.002 0.000 0.250 3398 T C 0.381 175.064 174.700 -0.029 0.000 1.060 3398 T CA 0.136 62.237 62.100 0.002 0.000 1.040 3398 T CB 0.050 68.967 68.868 0.082 0.000 0.971 3398 T HN 0.310 nan 8.240 nan 0.000 0.497 3399 L N 1.043 122.225 121.223 -0.069 0.000 2.331 3399 L HA 0.626 4.967 4.340 0.002 0.000 0.275 3399 L C 0.303 177.129 176.870 -0.073 0.000 1.022 3399 L CA -1.558 53.238 54.840 -0.073 0.000 0.812 3399 L CB 0.979 42.969 42.059 -0.114 0.000 1.257 3399 L HN -0.063 nan 8.230 nan 0.000 0.435 3400 R N 0.325 120.799 120.500 -0.043 0.000 3.387 3400 R HA -0.201 4.141 4.340 0.002 0.000 0.254 3400 R C 0.939 177.211 176.300 -0.046 0.000 1.006 3400 R CA 0.715 56.800 56.100 -0.025 0.000 0.677 3400 R CB -2.295 27.988 30.300 -0.028 0.000 1.063 3400 R HN 0.950 nan 8.270 nan 0.000 0.453 3401 T N -0.417 114.107 114.554 -0.049 0.000 2.607 3401 T HA -0.252 4.099 4.350 0.002 0.000 0.267 3401 T C 1.473 176.124 174.700 -0.082 0.000 1.049 3401 T CA 1.853 63.901 62.100 -0.086 0.000 1.162 3401 T CB -0.322 68.485 68.868 -0.101 0.000 0.863 3401 T HN 0.440 nan 8.240 nan 0.000 0.424 3402 Y N 1.670 121.881 120.300 -0.149 0.000 2.070 3402 Y HA -0.150 4.402 4.550 0.002 0.000 0.280 3402 Y C 2.707 178.532 175.900 -0.124 0.000 1.148 3402 Y CA 1.757 59.773 58.100 -0.139 0.000 1.125 3402 Y CB -0.521 37.887 38.460 -0.087 0.000 0.975 3402 Y HN 0.298 nan 8.280 nan 0.000 0.492 3403 E N -0.760 119.419 120.200 -0.036 0.000 2.038 3403 E HA -0.221 4.130 4.350 0.002 0.000 0.195 3403 E C 2.234 178.740 176.600 -0.157 0.000 1.000 3403 E CA 2.046 58.389 56.400 -0.095 0.000 0.803 3403 E CB -0.365 29.328 29.700 -0.012 0.000 0.750 3403 E HN 0.310 nan 8.360 nan 0.000 0.448 3404 V N 0.353 120.185 119.914 -0.136 0.000 2.261 3404 V HA -0.254 3.867 4.120 0.002 0.000 0.246 3404 V C 2.468 178.438 176.094 -0.206 0.000 1.047 3404 V CA 2.268 64.477 62.300 -0.153 0.000 1.015 3404 V CB -0.639 31.098 31.823 -0.143 0.000 0.642 3404 V HN 0.394 nan 8.190 nan 0.000 0.446 3405 T N -0.422 113.976 114.554 -0.260 0.000 3.007 3405 T HA -0.115 4.237 4.350 0.002 0.000 0.270 3405 T C 1.805 176.275 174.700 -0.384 0.000 1.107 3405 T CA 0.974 62.874 62.100 -0.333 0.000 1.118 3405 T CB -0.319 68.299 68.868 -0.417 0.000 0.889 3405 T HN 0.369 nan 8.240 nan 0.000 0.506 3406 N N 1.087 119.554 118.700 -0.389 0.000 2.132 3406 N HA 0.017 4.758 4.740 0.002 0.000 0.187 3406 N C 2.058 177.428 175.510 -0.234 0.000 1.038 3406 N CA 0.722 53.549 53.050 -0.372 0.000 0.846 3406 N CB -0.242 37.971 38.487 -0.456 0.000 1.012 3406 N HN 0.268 nan 8.380 nan 0.000 0.429 3407 R N 1.018 121.402 120.500 -0.193 0.000 2.154 3407 R HA -0.114 4.227 4.340 0.002 0.000 0.248 3407 R C 2.099 178.326 176.300 -0.122 0.000 1.155 3407 R CA 1.062 57.083 56.100 -0.132 0.000 0.979 3407 R CB -0.301 29.933 30.300 -0.110 0.000 0.869 3407 R HN 0.244 nan 8.270 nan 0.000 0.452 3408 L N -0.338 120.797 121.223 -0.147 0.000 2.217 3408 L HA -0.071 4.270 4.340 0.002 0.000 0.211 3408 L C 2.630 179.437 176.870 -0.106 0.000 1.107 3408 L CA 0.952 55.715 54.840 -0.129 0.000 0.783 3408 L CB -0.209 41.762 42.059 -0.146 0.000 0.919 3408 L HN 0.170 nan 8.230 nan 0.000 0.442 3409 R N -0.802 119.621 120.500 -0.128 0.000 2.090 3409 R HA -0.048 4.294 4.340 0.002 0.000 0.228 3409 R C 2.357 178.634 176.300 -0.038 0.000 1.110 3409 R CA 1.332 57.391 56.100 -0.068 0.000 0.973 3409 R CB -0.183 30.057 30.300 -0.100 0.000 0.869 3409 R HN 0.236 nan 8.270 nan 0.000 0.440 3410 S N 0.754 116.415 115.700 -0.064 0.000 2.453 3410 S HA -0.097 4.374 4.470 0.002 0.000 0.231 3410 S C 1.577 176.154 174.600 -0.037 0.000 1.005 3410 S CA 0.840 59.014 58.200 -0.043 0.000 0.949 3410 S CB 0.032 63.199 63.200 -0.057 0.000 0.774 3410 S HN 0.293 nan 8.310 nan 0.000 0.510 3411 E N 1.753 121.922 120.200 -0.052 0.000 2.031 3411 E HA -0.123 4.228 4.350 0.002 0.000 0.193 3411 E C 2.256 178.833 176.600 -0.039 0.000 0.994 3411 E CA 1.657 58.026 56.400 -0.052 0.000 0.800 3411 E CB -0.041 29.614 29.700 -0.074 0.000 0.752 3411 E HN 0.595 nan 8.360 nan 0.000 0.447 3412 S N -0.458 115.222 115.700 -0.034 0.000 2.446 3412 S HA 0.076 4.547 4.470 0.002 0.000 0.225 3412 S C 1.152 175.759 174.600 0.012 0.000 1.016 3412 S CA 0.049 58.240 58.200 -0.016 0.000 0.943 3412 S CB -0.162 63.029 63.200 -0.015 0.000 0.786 3412 S HN 0.093 nan 8.310 nan 0.000 0.508 3413 I N 0.000 120.581 120.570 0.019 0.000 2.984 3413 I HA 0.000 4.171 4.170 0.002 0.000 0.288 3413 I CA 0.000 61.320 61.300 0.033 0.000 1.566 3413 I CB 0.000 38.027 38.000 0.046 0.000 1.214 3413 I HN 0.000 nan 8.210 nan 0.000 0.494