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 2jd4_1_B DATA FIRST_RESID 2685 DATA SEQUENCE LcAVDTAPGY VAGAHQFGLS QNSHLVLPLQ QSDVRKRLQV QLSIRTFASS DATA SEQUENCE GLIYYVAHQN QMDYATLQLQ EGRLHFMFDL GKGRTKVSHP ALLSDGKWHT DATA SEQUENCE VKTEYIKRKA FMTVDGQESP SVTVVGKATT LDVERKLYLG GLPSHYRARN DATA SEQUENCE IGTITHSIPA cIGEIMVNGQ QLDKDRPLSA SAVDRcYVVA QEGTFFEGSG DATA SEQUENCE YAALVKEGYK VRLDLQITLE FRTTSKNGVL LGISSAKVDA IGLEIVDGKV DATA SEQUENCE LFHVNNGAGR ITATYQPRAA RALcDGKWHT LQAHKSKHRI VLTVDGNSVR DATA SEQUENCE AESPHTHSTS ADTNDPIYVG GYPAHIKQNS LSSRASFRGc VRNLRLSRGS DATA SEQUENCE QVQSLDLSRA FDLQGVFPHS cPGPEP 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 2685 L HA 0.000 nan 4.340 nan 0.000 0.249 2685 L C 0.000 176.873 176.870 0.006 0.000 1.165 2685 L CA 0.000 54.842 54.840 0.003 0.000 0.813 2685 L CB 0.000 42.062 42.059 0.005 0.000 0.961 2686 c N 1.698 120.300 118.600 0.004 0.000 2.676 2686 c HA 0.658 5.226 4.570 -0.002 0.000 0.416 2686 c C 1.690 175.782 174.090 0.002 0.000 1.299 2686 c CA -0.168 56.164 56.329 0.005 0.000 2.048 2686 c CB 0.183 42.693 42.510 -0.000 0.000 2.713 2686 c HN 0.645 nan 8.230 nan 0.000 0.624 2687 A N 2.722 125.544 122.820 0.003 0.000 2.429 2687 A HA 0.479 4.798 4.320 -0.002 0.000 0.242 2687 A C -0.307 177.272 177.584 -0.009 0.000 1.088 2687 A CA -0.055 51.981 52.037 -0.002 0.000 0.784 2687 A CB 0.173 19.170 19.000 -0.005 0.000 1.038 2687 A HN 0.789 nan 8.150 nan 0.000 0.501 2688 V N 2.959 122.867 119.914 -0.011 0.000 2.380 2688 V HA 0.259 4.378 4.120 -0.002 0.000 0.286 2688 V C -0.887 175.196 176.094 -0.018 0.000 1.015 2688 V CA -0.715 61.577 62.300 -0.012 0.000 0.834 2688 V CB 1.347 33.165 31.823 -0.008 0.000 1.009 2688 V HN 0.916 nan 8.190 nan 0.000 0.428 2689 D N 2.543 122.928 120.400 -0.024 0.000 2.229 2689 D HA 0.393 5.032 4.640 -0.002 0.000 0.249 2689 D C 0.449 176.730 176.300 -0.033 0.000 1.027 2689 D CA -0.063 53.916 54.000 -0.035 0.000 0.923 2689 D CB 2.145 42.913 40.800 -0.053 0.000 1.174 2689 D HN 0.615 nan 8.370 nan 0.000 0.443 2690 T N -1.535 112.997 114.554 -0.037 0.000 2.884 2690 T HA 0.483 4.832 4.350 -0.002 0.000 0.298 2690 T C 0.429 175.101 174.700 -0.046 0.000 0.998 2690 T CA -1.016 61.065 62.100 -0.032 0.000 1.124 2690 T CB 0.986 69.837 68.868 -0.029 0.000 0.931 2690 T HN 0.372 nan 8.240 nan 0.000 0.531 2691 A N 4.729 127.531 122.820 -0.030 0.000 2.567 2691 A HA 0.401 4.720 4.320 -0.002 0.000 0.240 2691 A C -1.574 175.969 177.584 -0.068 0.000 1.053 2691 A CA -0.977 51.040 52.037 -0.032 0.000 0.755 2691 A CB -1.119 17.887 19.000 0.011 0.000 0.978 2691 A HN 0.791 nan 8.150 nan 0.000 0.507 2692 P HA 0.361 nan 4.420 nan 0.000 0.269 2692 P C 0.448 177.624 177.300 -0.208 0.000 1.209 2692 P CA 0.305 63.270 63.100 -0.224 0.000 0.776 2692 P CB 0.768 32.224 31.700 -0.407 0.000 0.876 2693 G N 0.690 109.376 108.800 -0.189 0.000 2.441 2693 G HA2 0.581 4.540 3.960 -0.002 0.000 0.334 2693 G HA3 0.581 4.540 3.960 -0.002 0.000 0.334 2693 G C -1.657 173.096 174.900 -0.245 0.000 1.161 2693 G CA -0.353 44.683 45.100 -0.107 0.000 0.935 2693 G HN 0.328 nan 8.290 nan 0.000 0.488 2694 Y N -0.497 119.802 120.300 -0.001 0.000 2.468 2694 Y HA 0.397 4.946 4.550 -0.002 0.000 0.342 2694 Y C 0.312 176.197 175.900 -0.024 0.000 1.021 2694 Y CA -0.966 57.106 58.100 -0.047 0.000 1.079 2694 Y CB 2.243 40.622 38.460 -0.135 0.000 1.226 2694 Y HN 0.273 nan 8.280 nan 0.000 0.460 2695 V N 3.334 123.334 119.914 0.144 0.000 2.403 2695 V HA 0.247 4.366 4.120 -0.002 0.000 0.265 2695 V C 0.549 176.671 176.094 0.047 0.000 1.034 2695 V CA -0.753 61.609 62.300 0.104 0.000 1.036 2695 V CB -0.511 31.425 31.823 0.188 0.000 1.032 2695 V HN 0.880 nan 8.190 nan 0.000 0.478 2696 A N 4.719 127.547 122.820 0.014 0.000 2.546 2696 A HA 0.485 4.804 4.320 -0.002 0.000 0.243 2696 A C 1.632 179.197 177.584 -0.033 0.000 1.063 2696 A CA 0.637 52.662 52.037 -0.020 0.000 0.757 2696 A CB -0.370 18.617 19.000 -0.022 0.000 0.991 2696 A HN 2.029 nan 8.150 nan 0.000 0.503 2697 G N 0.961 109.730 108.800 -0.052 0.000 2.253 2697 G HA2 0.093 4.052 3.960 -0.002 0.000 0.251 2697 G HA3 0.093 4.052 3.960 -0.002 0.000 0.251 2697 G C 0.677 175.585 174.900 0.014 0.000 0.998 2697 G CA 0.660 45.747 45.100 -0.020 0.000 0.621 2697 G HN 2.201 nan 8.290 nan 0.000 0.524 2698 A N -0.225 122.593 122.820 -0.003 0.000 2.287 2698 A HA 0.763 5.082 4.320 -0.002 0.000 0.273 2698 A C -0.154 177.378 177.584 -0.086 0.000 1.091 2698 A CA 0.010 52.116 52.037 0.114 0.000 0.817 2698 A CB 0.494 19.631 19.000 0.229 0.000 1.069 2698 A HN 0.674 nan 8.150 nan 0.000 0.492 2699 H N -0.334 118.797 119.070 0.103 0.000 2.600 2699 H HA 0.540 5.095 4.556 -0.002 0.000 0.357 2699 H C -0.608 174.662 175.328 -0.097 0.000 1.106 2699 H CA -0.337 55.672 56.048 -0.063 0.000 1.193 2699 H CB 1.597 31.272 29.762 -0.146 0.000 1.594 2699 H HN 0.649 nan 8.280 nan 0.000 0.526 2700 Q N 2.548 122.257 119.800 -0.152 0.000 2.314 2700 Q HA 0.417 4.756 4.340 -0.002 0.000 0.259 2700 Q C -1.591 174.268 176.000 -0.235 0.000 0.951 2700 Q CA -0.286 55.475 55.803 -0.070 0.000 0.909 2700 Q CB 0.376 29.101 28.738 -0.023 0.000 1.236 2700 Q HN 0.445 nan 8.270 nan 0.000 0.444 2701 F N 1.113 121.143 119.950 0.132 0.000 2.525 2701 F HA 0.662 5.188 4.527 -0.002 0.000 0.346 2701 F C 1.554 177.441 175.800 0.146 0.000 1.072 2701 F CA -0.136 57.944 58.000 0.133 0.000 1.033 2701 F CB 1.701 40.772 39.000 0.119 0.000 1.324 2701 F HN 0.684 nan 8.300 nan 0.000 0.491 2702 G N 0.029 109.045 108.800 0.360 0.000 2.159 2702 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.256 2702 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.256 2702 G C 0.808 175.886 174.900 0.297 0.000 0.977 2702 G CA 0.422 45.695 45.100 0.289 0.000 0.652 2702 G HN 0.554 nan 8.290 nan 0.000 0.531 2703 L N 0.661 122.023 121.223 0.232 0.000 2.201 2703 L HA 0.191 4.530 4.340 -0.002 0.000 0.212 2703 L C 1.769 178.723 176.870 0.140 0.000 1.105 2703 L CA 1.498 56.443 54.840 0.175 0.000 0.775 2703 L CB -0.311 41.821 42.059 0.121 0.000 0.913 2703 L HN 0.638 nan 8.230 nan 0.000 0.440 2704 S N -3.048 112.749 115.700 0.161 0.000 2.627 2704 S HA 0.263 4.732 4.470 -0.002 0.000 0.283 2704 S C 0.379 175.084 174.600 0.175 0.000 1.127 2704 S CA -0.896 57.389 58.200 0.142 0.000 0.863 2704 S CB 1.677 64.949 63.200 0.120 0.000 1.121 2704 S HN -0.037 nan 8.310 nan 0.000 0.479 2705 Q N 0.929 120.821 119.800 0.153 0.000 2.291 2705 Q HA -0.024 4.315 4.340 -0.002 0.000 0.206 2705 Q C 0.153 176.252 176.000 0.164 0.000 0.976 2705 Q CA 1.438 57.336 55.803 0.159 0.000 0.875 2705 Q CB -0.662 28.148 28.738 0.121 0.000 0.927 2705 Q HN 0.770 nan 8.270 nan 0.000 0.450 2706 N N -0.214 118.589 118.700 0.172 0.000 2.401 2706 N HA 0.085 4.824 4.740 -0.002 0.000 0.264 2706 N C -1.016 174.697 175.510 0.339 0.000 1.238 2706 N CA -0.097 53.073 53.050 0.200 0.000 0.889 2706 N CB 0.915 39.497 38.487 0.159 0.000 1.196 2706 N HN -0.113 nan 8.380 nan 0.000 0.511 2707 S N 1.912 117.798 115.700 0.311 0.000 2.516 2707 S HA 0.066 4.535 4.470 -0.002 0.000 0.282 2707 S C -0.226 174.684 174.600 0.516 0.000 1.286 2707 S CA -0.073 58.336 58.200 0.347 0.000 1.066 2707 S CB -0.086 63.307 63.200 0.321 0.000 0.884 2707 S HN 0.460 nan 8.310 nan 0.000 0.491 2708 H N 0.856 120.139 119.070 0.355 0.000 2.950 2708 H HA 0.547 5.102 4.556 -0.002 0.000 0.307 2708 H C -2.075 173.458 175.328 0.342 0.000 1.403 2708 H CA -1.146 55.131 56.048 0.382 0.000 1.145 2708 H CB 0.328 30.227 29.762 0.229 0.000 1.844 2708 H HN 0.467 nan 8.280 nan 0.000 0.515 2709 L N 1.489 122.875 121.223 0.271 0.000 2.431 2709 L HA 0.490 4.829 4.340 -0.002 0.000 0.266 2709 L C -0.733 176.236 176.870 0.165 0.000 0.978 2709 L CA -1.275 53.634 54.840 0.115 0.000 0.822 2709 L CB 2.539 44.678 42.059 0.132 0.000 1.310 2709 L HN 0.354 nan 8.230 nan 0.000 0.409 2710 V N 4.508 124.479 119.914 0.093 0.000 2.357 2710 V HA 0.467 4.586 4.120 -0.002 0.000 0.284 2710 V C -0.203 175.839 176.094 -0.086 0.000 1.018 2710 V CA -0.347 61.927 62.300 -0.044 0.000 0.841 2710 V CB 1.666 33.471 31.823 -0.029 0.000 0.991 2710 V HN 0.469 nan 8.190 nan 0.000 0.437 2711 L N 7.201 128.344 121.223 -0.134 0.000 2.349 2711 L HA 0.541 4.880 4.340 -0.002 0.000 0.278 2711 L C -2.611 174.185 176.870 -0.124 0.000 0.996 2711 L CA -1.885 52.893 54.840 -0.104 0.000 0.825 2711 L CB 2.329 44.338 42.059 -0.083 0.000 1.243 2711 L HN 0.389 nan 8.230 nan 0.000 0.412 2712 P HA 0.153 nan 4.420 nan 0.000 0.271 2712 P C -0.634 176.620 177.300 -0.077 0.000 1.218 2712 P CA -0.085 62.965 63.100 -0.084 0.000 0.780 2712 P CB 0.612 32.277 31.700 -0.058 0.000 0.901 2713 L N 3.043 124.222 121.223 -0.073 0.000 2.603 2713 L HA 0.246 4.585 4.340 -0.002 0.000 0.242 2713 L C 1.550 178.391 176.870 -0.049 0.000 1.169 2713 L CA -0.145 54.655 54.840 -0.066 0.000 1.029 2713 L CB -0.148 41.868 42.059 -0.071 0.000 1.361 2713 L HN 0.396 nan 8.230 nan 0.000 0.439 2714 Q N 0.513 120.287 119.800 -0.044 0.000 2.077 2714 Q HA -0.201 4.138 4.340 -0.002 0.000 0.206 2714 Q C 0.601 176.583 176.000 -0.030 0.000 0.989 2714 Q CA 1.607 57.389 55.803 -0.034 0.000 0.853 2714 Q CB 0.027 28.747 28.738 -0.030 0.000 0.907 2714 Q HN 0.652 nan 8.270 nan 0.000 0.418 2715 Q N -0.084 119.696 119.800 -0.033 0.000 2.302 2715 Q HA 0.279 4.618 4.340 -0.002 0.000 0.332 2715 Q C -0.965 175.015 176.000 -0.033 0.000 0.913 2715 Q CA -0.264 55.521 55.803 -0.030 0.000 1.098 2715 Q CB 1.379 30.100 28.738 -0.028 0.000 1.236 2715 Q HN -0.037 nan 8.270 nan 0.000 0.436 2716 S N 0.826 116.505 115.700 -0.035 0.000 2.521 2716 S HA 0.325 4.794 4.470 -0.002 0.000 0.295 2716 S C -1.234 173.349 174.600 -0.029 0.000 1.098 2716 S CA -0.734 57.444 58.200 -0.037 0.000 0.999 2716 S CB 1.646 64.817 63.200 -0.048 0.000 1.034 2716 S HN 0.251 nan 8.310 nan 0.000 0.483 2717 D N 1.748 122.131 120.400 -0.027 0.000 2.453 2717 D HA 0.358 4.997 4.640 -0.002 0.000 0.238 2717 D C 0.463 176.752 176.300 -0.019 0.000 1.088 2717 D CA -0.710 53.279 54.000 -0.019 0.000 0.854 2717 D CB 1.078 41.866 40.800 -0.019 0.000 1.076 2717 D HN 0.275 nan 8.370 nan 0.000 0.533 2718 V N 1.962 121.875 119.914 -0.003 0.000 3.483 2718 V HA 0.290 4.409 4.120 -0.002 0.000 0.301 2718 V C 1.794 177.930 176.094 0.069 0.000 1.389 2718 V CA -0.027 62.283 62.300 0.017 0.000 1.101 2718 V CB -0.305 31.530 31.823 0.020 0.000 0.971 2718 V HN 0.338 nan 8.190 nan 0.000 0.434 2719 R N 1.455 121.986 120.500 0.052 0.000 2.103 2719 R HA -0.036 4.303 4.340 -0.002 0.000 0.242 2719 R C 1.380 177.762 176.300 0.137 0.000 1.142 2719 R CA 1.919 58.067 56.100 0.081 0.000 0.960 2719 R CB -0.197 30.129 30.300 0.044 0.000 0.858 2719 R HN 0.484 nan 8.270 nan 0.000 0.439 2720 K N -0.376 120.035 120.400 0.019 0.000 2.646 2720 K HA 0.225 4.544 4.320 -0.002 0.000 0.206 2720 K C -0.366 175.994 176.600 -0.401 0.000 1.069 2720 K CA -0.166 56.042 56.287 -0.132 0.000 1.067 2720 K CB 1.018 33.464 32.500 -0.091 0.000 0.807 2720 K HN -0.076 nan 8.250 nan 0.000 0.482 2721 R N 1.389 121.684 120.500 -0.342 0.000 4.264 2721 R HA 0.130 4.469 4.340 -0.002 0.000 0.269 2721 R C -2.410 173.813 176.300 -0.128 0.000 1.051 2721 R CA -0.513 55.371 56.100 -0.359 0.000 1.332 2721 R CB 0.850 31.014 30.300 -0.226 0.000 1.251 2721 R HN 0.143 nan 8.270 nan 0.000 0.538 2722 L N 5.345 126.529 121.223 -0.065 0.000 2.427 2722 L HA 0.410 4.749 4.340 -0.002 0.000 0.264 2722 L C -0.947 175.890 176.870 -0.054 0.000 0.989 2722 L CA -0.135 54.713 54.840 0.013 0.000 0.865 2722 L CB 1.388 43.536 42.059 0.147 0.000 1.209 2722 L HN 0.556 nan 8.230 nan 0.000 0.430 2723 Q N 4.298 124.038 119.800 -0.100 0.000 2.357 2723 Q HA 0.709 5.048 4.340 -0.002 0.000 0.266 2723 Q C -1.593 174.324 176.000 -0.137 0.000 1.021 2723 Q CA -0.844 54.882 55.803 -0.128 0.000 0.784 2723 Q CB 2.114 30.791 28.738 -0.101 0.000 1.243 2723 Q HN 0.373 nan 8.270 nan 0.000 0.465 2724 V N 2.856 122.664 119.914 -0.176 0.000 2.513 2724 V HA 0.433 4.552 4.120 -0.002 0.000 0.299 2724 V C -0.432 175.588 176.094 -0.123 0.000 1.035 2724 V CA -0.611 61.574 62.300 -0.193 0.000 0.889 2724 V CB 1.526 33.145 31.823 -0.339 0.000 0.988 2724 V HN 0.879 nan 8.190 nan 0.000 0.440 2725 Q N 4.279 124.025 119.800 -0.089 0.000 2.323 2725 Q HA 0.788 5.127 4.340 -0.002 0.000 0.271 2725 Q C -1.768 174.217 176.000 -0.024 0.000 1.048 2725 Q CA -0.690 55.087 55.803 -0.043 0.000 0.792 2725 Q CB 2.220 30.940 28.738 -0.030 0.000 1.280 2725 Q HN 0.760 nan 8.270 nan 0.000 0.441 2726 L N -0.178 121.052 121.223 0.012 0.000 2.568 2726 L HA 0.755 5.094 4.340 -0.002 0.000 0.257 2726 L C -1.258 175.667 176.870 0.091 0.000 1.024 2726 L CA -0.632 54.236 54.840 0.046 0.000 0.854 2726 L CB 2.069 44.162 42.059 0.056 0.000 1.460 2726 L HN 0.388 nan 8.230 nan 0.000 0.409 2727 S N 1.366 117.150 115.700 0.140 0.000 2.509 2727 S HA 0.876 5.345 4.470 -0.002 0.000 0.297 2727 S C -0.703 174.132 174.600 0.393 0.000 1.118 2727 S CA -0.427 57.921 58.200 0.246 0.000 1.074 2727 S CB 1.224 64.520 63.200 0.161 0.000 1.038 2727 S HN 0.761 nan 8.310 nan 0.000 0.498 2728 I N 1.950 122.765 120.570 0.408 0.000 2.913 2728 I HA 0.568 4.737 4.170 -0.002 0.000 0.302 2728 I C -1.351 174.727 176.117 -0.066 0.000 1.246 2728 I CA -0.716 60.710 61.300 0.210 0.000 1.010 2728 I CB 1.846 39.916 38.000 0.118 0.000 1.259 2728 I HN 0.570 nan 8.210 nan 0.000 0.434 2729 R N 4.163 124.413 120.500 -0.418 0.000 2.515 2729 R HA 0.624 4.963 4.340 -0.002 0.000 0.291 2729 R C -1.718 174.326 176.300 -0.426 0.000 1.046 2729 R CA -0.248 55.459 56.100 -0.655 0.000 0.914 2729 R CB 2.032 31.464 30.300 -1.447 0.000 1.191 2729 R HN 0.745 nan 8.270 nan 0.000 0.435 2730 T N 2.384 116.723 114.554 -0.358 0.000 2.840 2730 T HA 0.417 4.766 4.350 -0.002 0.000 0.317 2730 T C -0.725 173.797 174.700 -0.296 0.000 1.401 2730 T CA -0.402 61.542 62.100 -0.259 0.000 1.028 2730 T CB 1.019 69.837 68.868 -0.084 0.000 1.317 2730 T HN 0.475 nan 8.240 nan 0.000 0.495 2731 F N 1.351 121.297 119.950 -0.007 0.000 2.706 2731 F HA 0.539 5.065 4.527 -0.002 0.000 0.308 2731 F C 1.550 177.349 175.800 -0.002 0.000 1.095 2731 F CA -0.399 57.602 58.000 0.001 0.000 1.244 2731 F CB 0.490 39.499 39.000 0.015 0.000 1.063 2731 F HN 0.644 nan 8.300 nan 0.000 0.582 2732 A N 0.276 123.185 122.820 0.147 0.000 2.327 2732 A HA 0.343 4.662 4.320 -0.002 0.000 0.255 2732 A C 1.273 178.893 177.584 0.060 0.000 1.099 2732 A CA 0.400 52.483 52.037 0.078 0.000 0.801 2732 A CB 0.153 19.176 19.000 0.038 0.000 1.062 2732 A HN 0.263 nan 8.150 nan 0.000 0.496 2733 S N -1.193 114.538 115.700 0.052 0.000 2.512 2733 S HA 0.343 4.812 4.470 -0.002 0.000 0.216 2733 S C 0.434 175.071 174.600 0.060 0.000 1.006 2733 S CA 0.579 58.809 58.200 0.050 0.000 0.915 2733 S CB -0.456 62.770 63.200 0.044 0.000 0.824 2733 S HN 1.865 nan 8.310 nan 0.000 0.497 2734 S N -0.887 114.863 115.700 0.084 0.000 2.565 2734 S HA 0.832 5.301 4.470 -0.002 0.000 0.269 2734 S C -0.417 174.236 174.600 0.089 0.000 1.153 2734 S CA -0.307 57.956 58.200 0.104 0.000 0.835 2734 S CB 1.258 64.564 63.200 0.177 0.000 1.122 2734 S HN 1.531 nan 8.310 nan 0.000 0.462 2735 G N -0.041 108.684 108.800 -0.125 0.000 2.350 2735 G HA2 0.404 4.363 3.960 -0.002 0.000 0.305 2735 G HA3 0.404 4.363 3.960 -0.002 0.000 0.305 2735 G C -2.205 172.528 174.900 -0.279 0.000 1.479 2735 G CA -0.676 44.200 45.100 -0.373 0.000 0.949 2735 G HN 1.312 nan 8.290 nan 0.000 0.651 2736 L N 1.708 122.749 121.223 -0.303 0.000 2.290 2736 L HA 0.586 4.924 4.340 -0.002 0.000 0.284 2736 L C 1.066 177.852 176.870 -0.140 0.000 1.078 2736 L CA -0.716 54.005 54.840 -0.198 0.000 0.815 2736 L CB 0.639 42.576 42.059 -0.204 0.000 1.162 2736 L HN 0.545 nan 8.230 nan 0.000 0.435 2737 I N 4.952 125.456 120.570 -0.110 0.000 2.512 2737 I HA 0.050 4.219 4.170 -0.002 0.000 0.247 2737 I C 0.036 176.175 176.117 0.036 0.000 1.094 2737 I CA 0.837 62.096 61.300 -0.070 0.000 1.427 2737 I CB -0.808 37.171 38.000 -0.035 0.000 1.149 2737 I HN 0.707 nan 8.210 nan 0.000 0.438 2738 Y N -0.625 119.684 120.300 0.015 0.000 2.581 2738 Y HA 0.651 5.200 4.550 -0.002 0.000 0.337 2738 Y C -1.597 174.425 175.900 0.204 0.000 1.108 2738 Y CA -2.328 55.816 58.100 0.074 0.000 1.033 2738 Y CB 0.982 39.467 38.460 0.042 0.000 1.318 2738 Y HN 0.052 nan 8.280 nan 0.000 0.459 2739 Y N 2.208 122.751 120.300 0.406 0.000 2.482 2739 Y HA 0.757 5.306 4.550 -0.002 0.000 0.334 2739 Y C -2.319 173.819 175.900 0.397 0.000 1.091 2739 Y CA -1.211 57.068 58.100 0.297 0.000 1.027 2739 Y CB 1.944 40.427 38.460 0.039 0.000 1.306 2739 Y HN 0.788 nan 8.280 nan 0.000 0.446 2740 V N 4.553 124.297 119.914 -0.282 0.000 2.841 2740 V HA 1.009 5.128 4.120 -0.002 0.000 0.310 2740 V C -0.863 174.982 176.094 -0.416 0.000 1.090 2740 V CA -0.150 62.019 62.300 -0.218 0.000 0.930 2740 V CB 1.545 33.366 31.823 -0.004 0.000 1.014 2740 V HN 1.100 nan 8.190 nan 0.000 0.425 2741 A N 1.912 124.599 122.820 -0.222 0.000 2.601 2741 A HA 0.734 5.053 4.320 -0.002 0.000 0.291 2741 A C -1.223 176.438 177.584 0.127 0.000 1.075 2741 A CA -0.665 51.351 52.037 -0.035 0.000 0.671 2741 A CB 1.130 20.102 19.000 -0.047 0.000 1.277 2741 A HN 1.104 nan 8.150 nan 0.000 0.417 2742 H N 0.114 119.242 119.070 0.096 0.000 2.757 2742 H HA 0.293 4.848 4.556 -0.002 0.000 0.370 2742 H C 1.577 176.986 175.328 0.135 0.000 1.172 2742 H CA 1.114 57.220 56.048 0.097 0.000 1.426 2742 H CB 1.046 30.857 29.762 0.082 0.000 1.438 2742 H HN 0.809 nan 8.280 nan 0.000 0.612 2743 Q N 2.518 122.130 119.800 -0.313 0.000 2.118 2743 Q HA -0.296 4.043 4.340 -0.002 0.000 0.211 2743 Q C 0.893 176.996 176.000 0.172 0.000 0.998 2743 Q CA 2.554 58.319 55.803 -0.062 0.000 0.872 2743 Q CB -0.433 28.186 28.738 -0.199 0.000 0.925 2743 Q HN 0.907 nan 8.270 nan 0.000 0.414 2744 N N -1.781 117.164 118.700 0.409 0.000 2.230 2744 N HA 0.010 4.749 4.740 -0.002 0.000 0.202 2744 N C -0.334 175.317 175.510 0.236 0.000 1.119 2744 N CA 0.444 53.662 53.050 0.279 0.000 0.851 2744 N CB 0.248 38.876 38.487 0.234 0.000 0.990 2744 N HN 0.337 nan 8.380 nan 0.000 0.497 2745 Q N -0.345 119.643 119.800 0.313 0.000 2.424 2745 Q HA -0.203 4.136 4.340 -0.002 0.000 0.234 2745 Q C 1.206 177.349 176.000 0.238 0.000 0.748 2745 Q CA 1.200 57.174 55.803 0.285 0.000 1.286 2745 Q CB -1.761 27.111 28.738 0.223 0.000 1.494 2745 Q HN 0.724 nan 8.270 nan 0.000 0.683 2746 M N -1.544 118.119 119.600 0.106 0.000 2.374 2746 M HA 0.048 4.527 4.480 -0.002 0.000 0.264 2746 M C -0.190 176.121 176.300 0.018 0.000 1.067 2746 M CA 1.449 56.755 55.300 0.009 0.000 1.103 2746 M CB 0.229 32.735 32.600 -0.156 0.000 1.402 2746 M HN -0.062 nan 8.290 nan 0.000 0.444 2747 D N 0.158 120.592 120.400 0.057 0.000 2.575 2747 D HA 0.607 5.246 4.640 -0.002 0.000 0.236 2747 D C -1.306 175.064 176.300 0.116 0.000 1.075 2747 D CA -0.119 53.872 54.000 -0.014 0.000 0.860 2747 D CB 1.560 42.348 40.800 -0.019 0.000 1.475 2747 D HN 0.360 nan 8.370 nan 0.000 0.474 2748 Y N -1.093 119.233 120.300 0.043 0.000 2.779 2748 Y HA 0.780 5.329 4.550 -0.002 0.000 0.340 2748 Y C -2.107 173.834 175.900 0.068 0.000 1.252 2748 Y CA -1.523 56.593 58.100 0.027 0.000 1.072 2748 Y CB 0.690 39.200 38.460 0.083 0.000 1.343 2748 Y HN 0.476 nan 8.280 nan 0.000 0.450 2749 A N 1.121 124.157 122.820 0.359 0.000 2.488 2749 A HA 0.745 5.064 4.320 -0.002 0.000 0.295 2749 A C -1.184 176.674 177.584 0.456 0.000 1.045 2749 A CA -0.067 52.209 52.037 0.399 0.000 0.703 2749 A CB 1.670 20.879 19.000 0.348 0.000 1.271 2749 A HN 1.318 nan 8.150 nan 0.000 0.400 2750 T N 0.858 115.633 114.554 0.369 0.000 2.889 2750 T HA 0.594 4.943 4.350 -0.002 0.000 0.315 2750 T C -2.189 172.425 174.700 -0.144 0.000 1.291 2750 T CA -0.303 61.837 62.100 0.067 0.000 1.028 2750 T CB 1.241 70.237 68.868 0.214 0.000 1.235 2750 T HN 1.553 nan 8.240 nan 0.000 0.491 2751 L N 3.574 124.449 121.223 -0.581 0.000 2.372 2751 L HA 0.699 5.038 4.340 -0.002 0.000 0.274 2751 L C -0.956 175.798 176.870 -0.193 0.000 0.988 2751 L CA 0.032 54.653 54.840 -0.365 0.000 0.833 2751 L CB 1.556 43.243 42.059 -0.621 0.000 1.236 2751 L HN 0.755 nan 8.230 nan 0.000 0.410 2752 Q N 3.612 123.380 119.800 -0.052 0.000 2.423 2752 Q HA 0.611 4.949 4.340 -0.002 0.000 0.278 2752 Q C -1.634 174.378 176.000 0.021 0.000 1.097 2752 Q CA -0.915 54.863 55.803 -0.041 0.000 0.809 2752 Q CB 3.095 31.807 28.738 -0.043 0.000 1.391 2752 Q HN 0.614 nan 8.270 nan 0.000 0.428 2753 L N 1.648 122.869 121.223 -0.004 0.000 2.282 2753 L HA 0.437 4.776 4.340 -0.002 0.000 0.288 2753 L C -1.269 175.641 176.870 0.067 0.000 1.033 2753 L CA 0.232 55.089 54.840 0.029 0.000 0.807 2753 L CB 1.424 43.481 42.059 -0.003 0.000 1.209 2753 L HN 0.647 nan 8.230 nan 0.000 0.423 2754 Q N 3.606 123.488 119.800 0.137 0.000 2.274 2754 Q HA 0.320 4.658 4.340 -0.002 0.000 0.268 2754 Q C -0.844 175.226 176.000 0.118 0.000 1.015 2754 Q CA -0.447 55.431 55.803 0.125 0.000 0.775 2754 Q CB 1.271 30.081 28.738 0.120 0.000 1.256 2754 Q HN 0.750 nan 8.270 nan 0.000 0.442 2755 E N 2.384 122.630 120.200 0.076 0.000 2.297 2755 E HA -0.303 4.046 4.350 -0.002 0.000 0.228 2755 E C 0.452 177.083 176.600 0.052 0.000 1.213 2755 E CA 0.582 57.019 56.400 0.060 0.000 0.712 2755 E CB -1.480 28.257 29.700 0.063 0.000 1.202 2755 E HN 1.149 nan 8.360 nan 0.000 0.376 2756 G N -0.128 108.698 108.800 0.042 0.000 2.196 2756 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.268 2756 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.268 2756 G C 0.260 175.157 174.900 -0.004 0.000 0.975 2756 G CA 0.978 46.090 45.100 0.020 0.000 0.648 2756 G HN 0.341 nan 8.290 nan 0.000 0.538 2757 R N -0.929 119.575 120.500 0.006 0.000 2.803 2757 R HA 0.696 5.035 4.340 -0.002 0.000 0.276 2757 R C 0.008 176.239 176.300 -0.115 0.000 0.978 2757 R CA -1.007 55.060 56.100 -0.056 0.000 0.939 2757 R CB 1.377 31.640 30.300 -0.061 0.000 1.179 2757 R HN 0.144 nan 8.270 nan 0.000 0.472 2758 L N 2.641 123.755 121.223 -0.182 0.000 2.350 2758 L HA 0.380 4.719 4.340 -0.002 0.000 0.275 2758 L C -0.094 176.550 176.870 -0.377 0.000 1.099 2758 L CA -0.337 54.401 54.840 -0.170 0.000 0.808 2758 L CB 0.620 42.627 42.059 -0.087 0.000 1.149 2758 L HN 0.376 nan 8.230 nan 0.000 0.442 2759 H N 3.077 122.186 119.070 0.065 0.000 2.840 2759 H HA 0.288 4.843 4.556 -0.002 0.000 0.340 2759 H C -1.422 173.995 175.328 0.147 0.000 1.004 2759 H CA -0.528 55.574 56.048 0.089 0.000 1.288 2759 H CB 2.329 32.113 29.762 0.036 0.000 1.607 2759 H HN 0.341 nan 8.280 nan 0.000 0.522 2760 F N 6.288 126.299 119.950 0.103 0.000 2.426 2760 F HA 0.501 5.027 4.527 -0.002 0.000 0.348 2760 F C -0.677 175.183 175.800 0.101 0.000 1.124 2760 F CA -1.006 57.045 58.000 0.085 0.000 1.008 2760 F CB 0.709 39.779 39.000 0.116 0.000 1.139 2760 F HN 0.506 nan 8.300 nan 0.000 0.452 2761 M N 6.441 125.907 119.600 -0.223 0.000 2.550 2761 M HA 0.807 5.286 4.480 -0.002 0.000 0.292 2761 M C -2.042 174.114 176.300 -0.239 0.000 1.221 2761 M CA -0.767 54.307 55.300 -0.377 0.000 0.873 2761 M CB 3.024 35.556 32.600 -0.114 0.000 1.727 2761 M HN 0.564 nan 8.290 nan 0.000 0.459 2762 F N -1.376 118.335 119.950 -0.399 0.000 2.713 2762 F HA 0.813 5.339 4.527 -0.002 0.000 0.311 2762 F C -2.068 173.311 175.800 -0.702 0.000 1.141 2762 F CA -0.867 56.813 58.000 -0.534 0.000 0.939 2762 F CB 1.293 39.974 39.000 -0.532 0.000 1.325 2762 F HN 0.674 nan 8.300 nan 0.000 0.453 2763 D N 2.266 122.219 120.400 -0.745 0.000 2.696 2763 D HA 0.312 4.951 4.640 -0.002 0.000 0.251 2763 D C -0.193 175.918 176.300 -0.315 0.000 1.188 2763 D CA -0.358 53.298 54.000 -0.573 0.000 0.876 2763 D CB 2.138 42.465 40.800 -0.787 0.000 1.334 2763 D HN 0.576 nan 8.370 nan 0.000 0.540 2764 L N 2.665 123.793 121.223 -0.159 0.000 2.591 2764 L HA 0.297 4.636 4.340 -0.002 0.000 0.228 2764 L C 1.733 178.546 176.870 -0.096 0.000 1.133 2764 L CA 0.980 55.746 54.840 -0.122 0.000 0.880 2764 L CB -0.713 41.303 42.059 -0.071 0.000 1.033 2764 L HN 0.850 nan 8.230 nan 0.000 0.450 2765 G N 0.118 108.852 108.800 -0.110 0.000 2.421 2765 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.188 2765 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.188 2765 G C 0.678 175.540 174.900 -0.064 0.000 1.001 2765 G CA -0.382 44.667 45.100 -0.085 0.000 0.693 2765 G HN 0.315 nan 8.290 nan 0.000 0.479 2766 K N 0.459 120.821 120.400 -0.063 0.000 3.320 2766 K HA 0.538 4.857 4.320 -0.002 0.000 0.194 2766 K C 0.142 176.708 176.600 -0.055 0.000 1.085 2766 K CA 0.151 56.410 56.287 -0.047 0.000 0.901 2766 K CB 1.416 33.897 32.500 -0.032 0.000 0.765 2766 K HN 1.391 nan 8.250 nan 0.000 0.480 2767 G N 1.513 110.268 108.800 -0.075 0.000 2.453 2767 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.665 2767 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.665 2767 G C -1.606 173.199 174.900 -0.158 0.000 1.411 2767 G CA -1.119 43.927 45.100 -0.089 0.000 0.889 2767 G HN 0.228 nan 8.290 nan 0.000 0.651 2768 R N 0.558 120.963 120.500 -0.159 0.000 2.308 2768 R HA 0.650 4.989 4.340 -0.002 0.000 0.305 2768 R C -0.467 175.621 176.300 -0.354 0.000 1.053 2768 R CA -0.164 55.784 56.100 -0.253 0.000 0.957 2768 R CB 0.796 31.028 30.300 -0.113 0.000 1.022 2768 R HN 0.451 nan 8.270 nan 0.000 0.461 2769 T N 4.584 118.737 114.554 -0.669 0.000 2.797 2769 T HA 0.306 4.655 4.350 -0.002 0.000 0.279 2769 T C -0.798 173.457 174.700 -0.743 0.000 0.991 2769 T CA -0.563 61.089 62.100 -0.746 0.000 0.979 2769 T CB 1.310 69.475 68.868 -1.172 0.000 0.943 2769 T HN 0.495 nan 8.240 nan 0.000 0.444 2770 K N 2.195 122.359 120.400 -0.393 0.000 2.385 2770 K HA 0.789 5.108 4.320 -0.002 0.000 0.248 2770 K C -1.763 174.782 176.600 -0.092 0.000 0.955 2770 K CA -0.735 55.406 56.287 -0.245 0.000 0.816 2770 K CB 1.626 34.052 32.500 -0.123 0.000 1.250 2770 K HN 0.371 nan 8.250 nan 0.000 0.434 2771 V N 1.812 121.742 119.914 0.027 0.000 2.733 2771 V HA 0.376 4.495 4.120 -0.002 0.000 0.306 2771 V C -1.247 174.965 176.094 0.198 0.000 1.084 2771 V CA -0.842 61.551 62.300 0.154 0.000 0.905 2771 V CB 2.090 34.088 31.823 0.292 0.000 1.010 2771 V HN 0.822 nan 8.190 nan 0.000 0.424 2772 S N 2.172 117.962 115.700 0.150 0.000 2.561 2772 S HA 0.571 5.040 4.470 -0.002 0.000 0.303 2772 S C -0.951 173.672 174.600 0.038 0.000 1.110 2772 S CA -0.558 57.679 58.200 0.061 0.000 1.034 2772 S CB 1.218 64.483 63.200 0.108 0.000 1.010 2772 S HN 0.879 nan 8.310 nan 0.000 0.482 2773 H N 4.186 123.208 119.070 -0.080 0.000 2.473 2773 H HA 0.385 4.940 4.556 -0.002 0.000 0.327 2773 H C -1.567 173.715 175.328 -0.077 0.000 1.105 2773 H CA -1.870 54.152 56.048 -0.042 0.000 1.280 2773 H CB 1.262 31.009 29.762 -0.025 0.000 1.450 2773 H HN 0.303 nan 8.280 nan 0.000 0.492 2774 P HA 0.013 nan 4.420 nan 0.000 0.242 2774 P C -0.261 177.077 177.300 0.064 0.000 1.197 2774 P CA 0.212 63.275 63.100 -0.061 0.000 0.765 2774 P CB 0.121 31.742 31.700 -0.132 0.000 0.936 2775 A N 0.841 123.844 122.820 0.306 0.000 2.440 2775 A HA 0.293 4.612 4.320 -0.002 0.000 0.251 2775 A C -0.102 177.484 177.584 0.003 0.000 1.089 2775 A CA -0.364 51.765 52.037 0.154 0.000 0.779 2775 A CB -0.240 18.833 19.000 0.122 0.000 1.022 2775 A HN 0.215 nan 8.150 nan 0.000 0.492 2776 L N 2.743 123.944 121.223 -0.036 0.000 2.276 2776 L HA 0.475 4.814 4.340 -0.002 0.000 0.286 2776 L C 0.180 176.958 176.870 -0.153 0.000 1.061 2776 L CA 0.164 54.969 54.840 -0.057 0.000 0.807 2776 L CB 0.846 42.896 42.059 -0.015 0.000 1.177 2776 L HN 0.670 nan 8.230 nan 0.000 0.429 2777 L N 2.979 124.102 121.223 -0.167 0.000 2.609 2777 L HA 0.167 4.506 4.340 -0.002 0.000 0.230 2777 L C 1.689 178.511 176.870 -0.080 0.000 1.087 2777 L CA 0.575 55.258 54.840 -0.262 0.000 0.874 2777 L CB 0.091 42.004 42.059 -0.245 0.000 1.114 2777 L HN 0.842 nan 8.230 nan 0.000 0.488 2778 S N -0.620 115.064 115.700 -0.026 0.000 3.048 2778 S HA -0.042 4.427 4.470 -0.002 0.000 0.254 2778 S C 0.723 175.359 174.600 0.060 0.000 1.084 2778 S CA 0.251 58.463 58.200 0.020 0.000 1.195 2778 S CB -0.967 62.265 63.200 0.054 0.000 0.870 2778 S HN 0.478 nan 8.310 nan 0.000 0.483 2779 D N -0.260 120.170 120.400 0.051 0.000 2.342 2779 D HA 0.249 4.888 4.640 -0.002 0.000 0.221 2779 D C 1.327 177.601 176.300 -0.043 0.000 1.101 2779 D CA 0.161 54.208 54.000 0.078 0.000 0.837 2779 D CB -0.735 40.138 40.800 0.121 0.000 0.938 2779 D HN 0.429 nan 8.370 nan 0.000 0.508 2780 G N 0.103 108.681 108.800 -0.371 0.000 2.187 2780 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.261 2780 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.261 2780 G C 0.130 174.713 174.900 -0.528 0.000 1.000 2780 G CA 0.595 45.135 45.100 -0.934 0.000 0.718 2780 G HN 0.502 nan 8.290 nan 0.000 0.519 2781 K N -1.452 118.745 120.400 -0.339 0.000 2.340 2781 K HA 0.495 4.814 4.320 -0.002 0.000 0.244 2781 K C -0.360 175.946 176.600 -0.489 0.000 0.973 2781 K CA -1.141 54.943 56.287 -0.339 0.000 0.828 2781 K CB 1.340 33.714 32.500 -0.209 0.000 1.226 2781 K HN 0.122 nan 8.250 nan 0.000 0.437 2782 W N 2.005 123.108 121.300 -0.328 0.000 2.210 2782 W HA 0.087 4.746 4.660 -0.002 0.000 0.330 2782 W C 0.604 176.817 176.519 -0.510 0.000 1.334 2782 W CA 0.359 57.532 57.345 -0.287 0.000 1.227 2782 W CB 0.443 29.813 29.460 -0.150 0.000 1.178 2782 W HN 0.284 nan 8.180 nan 0.000 0.560 2783 H N 0.986 120.200 119.070 0.241 0.000 2.851 2783 H HA 0.348 4.903 4.556 -0.002 0.000 0.372 2783 H C -0.758 174.646 175.328 0.127 0.000 1.158 2783 H CA -0.811 55.310 56.048 0.122 0.000 1.159 2783 H CB 1.957 31.740 29.762 0.036 0.000 1.757 2783 H HN 0.091 nan 8.280 nan 0.000 0.546 2784 T N 2.614 117.280 114.554 0.186 0.000 2.758 2784 T HA 0.410 4.759 4.350 -0.002 0.000 0.285 2784 T C 0.057 174.796 174.700 0.066 0.000 0.981 2784 T CA -0.562 61.602 62.100 0.107 0.000 0.965 2784 T CB 0.800 69.705 68.868 0.062 0.000 0.927 2784 T HN 0.168 nan 8.240 nan 0.000 0.448 2785 V N 4.693 124.636 119.914 0.048 0.000 2.680 2785 V HA 0.694 4.813 4.120 -0.002 0.000 0.309 2785 V C -0.398 175.690 176.094 -0.010 0.000 1.052 2785 V CA -1.035 61.264 62.300 -0.002 0.000 0.908 2785 V CB 2.023 33.844 31.823 -0.003 0.000 1.001 2785 V HN 0.883 nan 8.190 nan 0.000 0.431 2786 K N 0.973 121.353 120.400 -0.033 0.000 2.501 2786 K HA 0.755 5.074 4.320 -0.002 0.000 0.252 2786 K C -1.090 175.440 176.600 -0.117 0.000 0.934 2786 K CA -0.569 55.688 56.287 -0.051 0.000 0.797 2786 K CB 2.357 34.852 32.500 -0.009 0.000 1.270 2786 K HN 0.679 nan 8.250 nan 0.000 0.431 2787 T N -0.240 114.164 114.554 -0.249 0.000 2.824 2787 T HA 0.471 4.820 4.350 -0.002 0.000 0.282 2787 T C -0.835 173.557 174.700 -0.514 0.000 0.993 2787 T CA -0.778 60.972 62.100 -0.584 0.000 0.967 2787 T CB 1.414 69.585 68.868 -1.160 0.000 0.960 2787 T HN 0.648 nan 8.240 nan 0.000 0.441 2788 E N 1.997 121.909 120.200 -0.481 0.000 2.260 2788 E HA 0.330 4.679 4.350 -0.002 0.000 0.266 2788 E C -1.855 174.609 176.600 -0.227 0.000 0.887 2788 E CA -0.955 55.190 56.400 -0.426 0.000 0.777 2788 E CB 2.195 31.477 29.700 -0.696 0.000 1.205 2788 E HN 0.737 nan 8.360 nan 0.000 0.414 2789 Y N 4.415 124.617 120.300 -0.164 0.000 2.335 2789 Y HA 0.677 5.226 4.550 -0.002 0.000 0.338 2789 Y C -1.337 174.452 175.900 -0.186 0.000 0.977 2789 Y CA -1.268 56.717 58.100 -0.191 0.000 1.114 2789 Y CB 0.861 39.025 38.460 -0.493 0.000 1.182 2789 Y HN 0.606 nan 8.280 nan 0.000 0.463 2790 I N 6.870 127.086 120.570 -0.589 0.000 2.685 2790 I HA 0.235 4.404 4.170 -0.002 0.000 0.289 2790 I C -0.749 175.158 176.117 -0.350 0.000 1.292 2790 I CA -0.463 60.505 61.300 -0.555 0.000 1.050 2790 I CB 1.093 38.953 38.000 -0.235 0.000 1.301 2790 I HN 0.811 nan 8.210 nan 0.000 0.425 2791 K N 4.338 124.520 120.400 -0.362 0.000 1.795 2791 K HA -0.232 4.087 4.320 -0.002 0.000 0.138 2791 K C 0.280 176.866 176.600 -0.023 0.000 1.027 2791 K CA 1.338 57.542 56.287 -0.138 0.000 0.303 2791 K CB -0.772 31.696 32.500 -0.053 0.000 0.699 2791 K HN 0.693 nan 8.250 nan 0.000 0.789 2792 R N 2.625 123.155 120.500 0.050 0.000 2.552 2792 R HA 0.255 4.594 4.340 -0.002 0.000 0.314 2792 R C 0.090 176.491 176.300 0.169 0.000 1.041 2792 R CA 0.185 56.359 56.100 0.123 0.000 1.076 2792 R CB 0.424 30.778 30.300 0.090 0.000 1.290 2792 R HN 0.309 nan 8.270 nan 0.000 0.563 2793 K N -0.672 119.842 120.400 0.189 0.000 2.522 2793 K HA 0.726 5.045 4.320 -0.002 0.000 0.275 2793 K C -1.418 175.361 176.600 0.298 0.000 1.006 2793 K CA -0.753 55.685 56.287 0.252 0.000 0.890 2793 K CB 2.504 35.151 32.500 0.246 0.000 1.475 2793 K HN 0.012 nan 8.250 nan 0.000 0.441 2794 A N 1.032 124.060 122.820 0.346 0.000 2.572 2794 A HA 0.896 5.215 4.320 -0.002 0.000 0.295 2794 A C -1.752 176.042 177.584 0.350 0.000 1.072 2794 A CA -0.720 51.502 52.037 0.309 0.000 0.691 2794 A CB 0.870 20.224 19.000 0.591 0.000 1.291 2794 A HN 0.650 nan 8.150 nan 0.000 0.404 2795 F N -1.495 118.660 119.950 0.343 0.000 2.725 2795 F HA 0.772 5.298 4.527 -0.002 0.000 0.309 2795 F C -1.136 174.799 175.800 0.224 0.000 1.132 2795 F CA -1.173 56.978 58.000 0.250 0.000 0.957 2795 F CB 0.973 40.069 39.000 0.161 0.000 1.286 2795 F HN 0.544 nan 8.300 nan 0.000 0.440 2796 M N 1.290 121.163 119.600 0.455 0.000 2.705 2796 M HA 0.763 5.242 4.480 -0.002 0.000 0.311 2796 M C -1.094 175.410 176.300 0.340 0.000 1.214 2796 M CA -0.634 54.845 55.300 0.298 0.000 0.920 2796 M CB 2.725 35.480 32.600 0.258 0.000 1.687 2796 M HN 0.799 nan 8.290 nan 0.000 0.481 2797 T N 0.931 115.572 114.554 0.146 0.000 2.993 2797 T HA 0.605 4.954 4.350 -0.002 0.000 0.312 2797 T C -1.281 173.329 174.700 -0.151 0.000 1.115 2797 T CA -0.620 61.524 62.100 0.073 0.000 1.027 2797 T CB 2.150 71.095 68.868 0.127 0.000 1.116 2797 T HN 0.416 nan 8.240 nan 0.000 0.464 2798 V N 2.631 122.384 119.914 -0.269 0.000 2.569 2798 V HA 0.362 4.481 4.120 -0.002 0.000 0.301 2798 V C -0.501 175.556 176.094 -0.060 0.000 1.044 2798 V CA -0.934 61.210 62.300 -0.260 0.000 0.874 2798 V CB 1.702 33.199 31.823 -0.545 0.000 1.002 2798 V HN 1.058 nan 8.190 nan 0.000 0.424 2799 D N 4.061 124.473 120.400 0.020 0.000 2.737 2799 D HA -0.211 4.428 4.640 -0.002 0.000 0.233 2799 D C 1.350 177.681 176.300 0.053 0.000 1.155 2799 D CA 1.857 55.897 54.000 0.066 0.000 0.667 2799 D CB -1.003 39.867 40.800 0.116 0.000 1.060 2799 D HN 1.514 nan 8.370 nan 0.000 0.427 2800 G N -0.486 108.339 108.800 0.042 0.000 2.199 2800 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.254 2800 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.254 2800 G C 0.212 175.150 174.900 0.063 0.000 0.982 2800 G CA 0.342 45.470 45.100 0.046 0.000 0.632 2800 G HN 0.487 nan 8.290 nan 0.000 0.529 2801 Q N 1.043 120.898 119.800 0.092 0.000 2.389 2801 Q HA 0.403 4.742 4.340 -0.002 0.000 0.244 2801 Q C 0.093 176.235 176.000 0.236 0.000 1.056 2801 Q CA -0.129 55.767 55.803 0.155 0.000 0.908 2801 Q CB 0.871 29.749 28.738 0.232 0.000 1.273 2801 Q HN 0.594 nan 8.270 nan 0.000 0.471 2802 E N 2.026 122.309 120.200 0.138 0.000 2.289 2802 E HA 0.135 4.484 4.350 -0.002 0.000 0.278 2802 E C -0.398 176.274 176.600 0.121 0.000 1.032 2802 E CA -0.350 56.129 56.400 0.131 0.000 0.854 2802 E CB 0.834 30.528 29.700 -0.010 0.000 1.046 2802 E HN 0.578 nan 8.360 nan 0.000 0.409 2803 S N 3.821 119.637 115.700 0.193 0.000 2.645 2803 S HA 0.440 4.909 4.470 -0.002 0.000 0.266 2803 S C -2.369 172.277 174.600 0.077 0.000 1.258 2803 S CA -1.301 56.954 58.200 0.092 0.000 0.990 2803 S CB 0.954 64.247 63.200 0.154 0.000 0.967 2803 S HN 0.355 nan 8.310 nan 0.000 0.556 2804 P HA 0.288 nan 4.420 nan 0.000 0.271 2804 P C -0.631 176.741 177.300 0.120 0.000 1.216 2804 P CA -0.200 62.928 63.100 0.047 0.000 0.776 2804 P CB 0.550 32.267 31.700 0.027 0.000 0.881 2805 S N 0.834 116.604 115.700 0.118 0.000 2.576 2805 S HA 0.279 4.748 4.470 -0.002 0.000 0.276 2805 S C 0.069 174.777 174.600 0.179 0.000 1.339 2805 S CA -0.388 57.947 58.200 0.224 0.000 1.039 2805 S CB 0.286 63.607 63.200 0.202 0.000 0.902 2805 S HN 0.152 nan 8.310 nan 0.000 0.516 2806 V N 2.443 122.485 119.914 0.214 0.000 2.680 2806 V HA 0.386 4.505 4.120 -0.002 0.000 0.309 2806 V C 0.247 176.433 176.094 0.154 0.000 1.052 2806 V CA -0.843 61.544 62.300 0.145 0.000 0.908 2806 V CB 2.156 34.049 31.823 0.117 0.000 1.001 2806 V HN 0.882 nan 8.190 nan 0.000 0.431 2807 T N 3.020 117.638 114.554 0.107 0.000 2.897 2807 T HA 0.330 4.679 4.350 -0.002 0.000 0.294 2807 T C 0.121 174.882 174.700 0.102 0.000 1.004 2807 T CA -0.252 61.913 62.100 0.109 0.000 1.106 2807 T CB 1.290 70.203 68.868 0.074 0.000 0.949 2807 T HN 0.410 nan 8.240 nan 0.000 0.520 2808 V N 4.176 124.181 119.914 0.152 0.000 2.557 2808 V HA 0.004 4.123 4.120 -0.002 0.000 0.301 2808 V C 0.564 176.693 176.094 0.058 0.000 1.026 2808 V CA -0.108 62.288 62.300 0.160 0.000 1.137 2808 V CB 0.333 32.308 31.823 0.252 0.000 0.917 2808 V HN 0.637 nan 8.190 nan 0.000 0.484 2809 V N 5.788 125.690 119.914 -0.021 0.000 2.488 2809 V HA 0.723 4.842 4.120 -0.002 0.000 0.277 2809 V C 0.763 176.838 176.094 -0.032 0.000 1.046 2809 V CA 0.925 63.197 62.300 -0.047 0.000 0.986 2809 V CB 0.319 32.076 31.823 -0.109 0.000 0.989 2809 V HN 1.390 nan 8.190 nan 0.000 0.475 2810 G N 4.932 113.723 108.800 -0.014 0.000 2.662 2810 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.686 2810 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.686 2810 G C -0.044 174.862 174.900 0.010 0.000 1.271 2810 G CA -0.183 44.911 45.100 -0.010 0.000 0.816 2810 G HN 0.642 nan 8.290 nan 0.000 0.608 2811 K N 0.338 120.742 120.400 0.007 0.000 2.361 2811 K HA 0.414 4.733 4.320 -0.002 0.000 0.196 2811 K C 1.634 178.246 176.600 0.019 0.000 1.039 2811 K CA 0.668 56.964 56.287 0.015 0.000 1.001 2811 K CB 0.310 32.816 32.500 0.009 0.000 0.795 2811 K HN 1.009 nan 8.250 nan 0.000 0.495 2812 A N 1.650 124.477 122.820 0.012 0.000 2.498 2812 A HA 0.028 4.347 4.320 -0.002 0.000 0.239 2812 A C 1.046 178.652 177.584 0.038 0.000 1.068 2812 A CA 0.412 52.456 52.037 0.012 0.000 0.766 2812 A CB 0.096 19.091 19.000 -0.009 0.000 1.003 2812 A HN 0.347 nan 8.150 nan 0.000 0.497 2813 T N -1.711 112.870 114.554 0.044 0.000 3.044 2813 T HA 0.332 4.681 4.350 -0.002 0.000 0.260 2813 T C 0.347 175.108 174.700 0.101 0.000 1.019 2813 T CA 0.578 62.724 62.100 0.077 0.000 0.921 2813 T CB -0.521 68.381 68.868 0.057 0.000 1.053 2813 T HN 1.130 nan 8.240 nan 0.000 0.533 2814 T N 0.552 115.146 114.554 0.067 0.000 2.916 2814 T HA 0.659 5.008 4.350 -0.002 0.000 0.298 2814 T C -1.005 173.708 174.700 0.022 0.000 1.031 2814 T CA -0.975 61.169 62.100 0.072 0.000 0.993 2814 T CB 1.877 70.775 68.868 0.050 0.000 1.045 2814 T HN 0.114 nan 8.240 nan 0.000 0.454 2815 L N 2.789 124.029 121.223 0.028 0.000 2.295 2815 L HA 0.427 4.766 4.340 -0.002 0.000 0.288 2815 L C -0.905 175.976 176.870 0.018 0.000 1.079 2815 L CA 0.041 54.851 54.840 -0.050 0.000 0.830 2815 L CB -0.034 41.967 42.059 -0.097 0.000 1.200 2815 L HN 0.645 nan 8.230 nan 0.000 0.438 2816 D N 6.420 126.841 120.400 0.035 0.000 2.454 2816 D HA 0.410 5.049 4.640 -0.002 0.000 0.225 2816 D C -0.439 175.969 176.300 0.182 0.000 1.081 2816 D CA 0.066 54.130 54.000 0.107 0.000 0.864 2816 D CB 1.673 42.548 40.800 0.125 0.000 1.040 2816 D HN 0.410 nan 8.370 nan 0.000 0.517 2817 V N -0.972 119.009 119.914 0.111 0.000 3.130 2817 V HA 0.488 4.607 4.120 -0.002 0.000 0.310 2817 V C -0.192 175.914 176.094 0.020 0.000 1.158 2817 V CA -1.176 61.177 62.300 0.088 0.000 1.029 2817 V CB 2.441 34.297 31.823 0.054 0.000 1.057 2817 V HN 0.177 nan 8.190 nan 0.000 0.436 2818 E N 0.838 121.036 120.200 -0.004 0.000 2.344 2818 E HA 0.247 4.596 4.350 -0.002 0.000 0.270 2818 E C -0.379 176.212 176.600 -0.016 0.000 1.021 2818 E CA -0.234 56.155 56.400 -0.018 0.000 0.887 2818 E CB 0.868 30.572 29.700 0.007 0.000 0.997 2818 E HN 0.478 nan 8.360 nan 0.000 0.429 2819 R N 3.205 123.689 120.500 -0.027 0.000 4.559 2819 R HA -0.008 4.331 4.340 -0.002 0.000 0.177 2819 R C -0.339 175.920 176.300 -0.069 0.000 1.875 2819 R CA 0.270 56.345 56.100 -0.041 0.000 1.509 2819 R CB -0.509 29.770 30.300 -0.035 0.000 1.395 2819 R HN 0.329 nan 8.270 nan 0.000 0.830 2820 K N -0.277 120.065 120.400 -0.096 0.000 2.535 2820 K HA 0.315 4.634 4.320 -0.002 0.000 0.250 2820 K C -1.413 175.027 176.600 -0.266 0.000 0.948 2820 K CA -0.846 55.331 56.287 -0.183 0.000 0.796 2820 K CB 1.675 34.047 32.500 -0.213 0.000 1.216 2820 K HN 0.058 nan 8.250 nan 0.000 0.432 2821 L N 3.673 124.737 121.223 -0.266 0.000 2.307 2821 L HA 0.508 4.847 4.340 -0.002 0.000 0.284 2821 L C -1.485 175.226 176.870 -0.266 0.000 1.023 2821 L CA -0.881 53.841 54.840 -0.197 0.000 0.810 2821 L CB 0.786 42.770 42.059 -0.125 0.000 1.231 2821 L HN 0.665 nan 8.230 nan 0.000 0.423 2822 Y N 5.403 125.736 120.300 0.055 0.000 2.341 2822 Y HA 0.455 5.004 4.550 -0.002 0.000 0.340 2822 Y C -0.192 175.757 175.900 0.081 0.000 0.997 2822 Y CA -0.423 57.725 58.100 0.080 0.000 1.149 2822 Y CB 1.399 39.898 38.460 0.065 0.000 1.171 2822 Y HN 0.448 nan 8.280 nan 0.000 0.494 2823 L N 2.582 123.889 121.223 0.140 0.000 2.329 2823 L HA 0.741 5.080 4.340 -0.002 0.000 0.279 2823 L C 0.891 177.594 176.870 -0.277 0.000 1.014 2823 L CA 0.246 55.069 54.840 -0.028 0.000 0.814 2823 L CB 1.534 43.559 42.059 -0.057 0.000 1.257 2823 L HN 0.837 nan 8.230 nan 0.000 0.424 2824 G N 2.573 111.065 108.800 -0.514 0.000 2.220 2824 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.269 2824 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.269 2824 G C 0.545 175.324 174.900 -0.201 0.000 0.977 2824 G CA 0.302 44.915 45.100 -0.811 0.000 0.634 2824 G HN 1.675 nan 8.290 nan 0.000 0.539 2825 G N -1.801 106.987 108.800 -0.021 0.000 2.317 2825 G HA2 0.560 4.519 3.960 -0.002 0.000 0.293 2825 G HA3 0.560 4.519 3.960 -0.002 0.000 0.293 2825 G C -1.439 173.488 174.900 0.044 0.000 1.287 2825 G CA -0.417 44.714 45.100 0.052 0.000 0.850 2825 G HN 0.908 nan 8.290 nan 0.000 0.515 2826 L N 0.512 121.686 121.223 -0.082 0.000 2.370 2826 L HA 0.539 4.878 4.340 -0.002 0.000 0.266 2826 L C -2.415 174.196 176.870 -0.432 0.000 1.002 2826 L CA -2.101 52.562 54.840 -0.294 0.000 0.818 2826 L CB 2.832 44.672 42.059 -0.366 0.000 1.325 2826 L HN 0.266 nan 8.230 nan 0.000 0.418 2827 P HA 0.045 nan 4.420 nan 0.000 0.269 2827 P C 0.403 177.556 177.300 -0.245 0.000 1.215 2827 P CA -0.258 62.499 63.100 -0.571 0.000 0.780 2827 P CB 0.739 32.229 31.700 -0.349 0.000 0.898 2828 S N 1.095 116.781 115.700 -0.023 0.000 2.419 2828 S HA -0.247 4.222 4.470 -0.002 0.000 0.235 2828 S C 1.689 176.300 174.600 0.019 0.000 1.019 2828 S CA 1.272 59.485 58.200 0.022 0.000 0.982 2828 S CB -1.350 61.907 63.200 0.095 0.000 0.789 2828 S HN 0.648 nan 8.310 nan 0.000 0.490 2829 H N -0.529 118.572 119.070 0.053 0.000 2.428 2829 H HA 0.062 4.617 4.556 -0.002 0.000 0.296 2829 H C 0.656 176.011 175.328 0.044 0.000 1.062 2829 H CA 0.378 56.456 56.048 0.050 0.000 1.350 2829 H CB -0.965 28.838 29.762 0.069 0.000 1.403 2829 H HN 0.499 nan 8.280 nan 0.000 0.533 2830 Y N 2.510 122.367 120.300 -0.739 0.000 2.497 2830 Y HA 0.173 4.722 4.550 -0.002 0.000 0.334 2830 Y C 0.188 175.925 175.900 -0.272 0.000 1.199 2830 Y CA -0.088 57.727 58.100 -0.476 0.000 1.425 2830 Y CB 0.496 38.597 38.460 -0.598 0.000 1.291 2830 Y HN 0.062 nan 8.280 nan 0.000 0.562 2831 R N 4.900 125.078 120.500 -0.536 0.000 2.407 2831 R HA 0.424 4.763 4.340 -0.002 0.000 0.298 2831 R C -0.997 175.056 176.300 -0.411 0.000 1.166 2831 R CA -0.731 55.170 56.100 -0.332 0.000 1.006 2831 R CB 1.036 31.194 30.300 -0.236 0.000 1.145 2831 R HN 0.732 nan 8.270 nan 0.000 0.538 2832 A N 3.029 125.722 122.820 -0.213 0.000 2.404 2832 A HA 0.275 4.594 4.320 -0.002 0.000 0.273 2832 A C 0.816 178.297 177.584 -0.171 0.000 1.144 2832 A CA -0.140 51.796 52.037 -0.168 0.000 0.806 2832 A CB 0.373 19.205 19.000 -0.280 0.000 1.080 2832 A HN 0.679 nan 8.150 nan 0.000 0.509 2833 R N 1.498 121.914 120.500 -0.140 0.000 2.279 2833 R HA 0.088 4.427 4.340 -0.002 0.000 0.195 2833 R C 0.021 176.251 176.300 -0.116 0.000 0.905 2833 R CA 0.268 56.300 56.100 -0.114 0.000 1.044 2833 R CB 0.321 30.571 30.300 -0.084 0.000 1.056 2833 R HN 0.703 nan 8.270 nan 0.000 0.535 2834 N N 1.081 119.684 118.700 -0.162 0.000 2.234 2834 N HA 0.115 4.854 4.740 -0.002 0.000 0.227 2834 N C 0.612 175.889 175.510 -0.387 0.000 1.151 2834 N CA 0.259 53.178 53.050 -0.218 0.000 0.865 2834 N CB 0.994 39.390 38.487 -0.152 0.000 1.066 2834 N HN 0.326 nan 8.380 nan 0.000 0.515 2835 I N -3.790 116.583 120.570 -0.328 0.000 3.833 2835 I HA 0.486 4.655 4.170 -0.002 0.000 0.328 2835 I C 0.638 176.643 176.117 -0.186 0.000 1.554 2835 I CA -0.596 60.523 61.300 -0.303 0.000 1.116 2835 I CB 0.275 38.083 38.000 -0.321 0.000 1.182 2835 I HN -0.036 nan 8.210 nan 0.000 0.459 2836 G N 1.798 110.508 108.800 -0.149 0.000 2.632 2836 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.224 2836 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.224 2836 G C 0.267 175.108 174.900 -0.097 0.000 1.341 2836 G CA 0.103 45.138 45.100 -0.109 0.000 0.880 2836 G HN 0.227 nan 8.290 nan 0.000 0.566 2837 T N 0.629 115.143 114.554 -0.067 0.000 3.067 2837 T HA 0.218 4.567 4.350 -0.002 0.000 0.257 2837 T C 1.516 176.212 174.700 -0.006 0.000 1.105 2837 T CA 0.981 63.060 62.100 -0.035 0.000 1.104 2837 T CB -0.044 68.816 68.868 -0.014 0.000 0.925 2837 T HN 0.486 nan 8.240 nan 0.000 0.498 2838 I N 3.846 124.392 120.570 -0.040 0.000 2.352 2838 I HA 0.073 4.242 4.170 -0.002 0.000 0.303 2838 I C 1.319 177.327 176.117 -0.183 0.000 1.194 2838 I CA 0.117 61.371 61.300 -0.078 0.000 1.518 2838 I CB -0.329 37.609 38.000 -0.102 0.000 1.489 2838 I HN 0.229 nan 8.210 nan 0.000 0.702 2839 T N -0.757 113.722 114.554 -0.126 0.000 3.043 2839 T HA 0.097 4.446 4.350 -0.002 0.000 0.272 2839 T C 0.725 175.348 174.700 -0.129 0.000 0.990 2839 T CA -0.355 61.644 62.100 -0.168 0.000 0.897 2839 T CB -0.153 68.633 68.868 -0.137 0.000 1.111 2839 T HN 0.498 nan 8.240 nan 0.000 0.529 2840 H N 0.867 119.907 119.070 -0.051 0.000 2.546 2840 H HA 0.595 5.150 4.556 -0.002 0.000 0.365 2840 H C -0.052 175.276 175.328 0.000 0.000 1.220 2840 H CA -0.580 55.459 56.048 -0.016 0.000 1.386 2840 H CB 0.772 30.534 29.762 0.001 0.000 1.510 2840 H HN 0.114 nan 8.280 nan 0.000 0.591 2841 S N 0.655 116.416 115.700 0.103 0.000 2.564 2841 S HA 0.130 4.599 4.470 -0.002 0.000 0.278 2841 S C 0.137 174.792 174.600 0.091 0.000 1.333 2841 S CA -0.829 57.422 58.200 0.085 0.000 1.048 2841 S CB -0.308 63.013 63.200 0.201 0.000 0.900 2841 S HN 0.480 nan 8.310 nan 0.000 0.505 2842 I N 6.550 127.137 120.570 0.027 0.000 2.396 2842 I HA 0.382 4.551 4.170 -0.002 0.000 0.289 2842 I C -2.410 173.783 176.117 0.126 0.000 1.056 2842 I CA -2.292 59.032 61.300 0.041 0.000 1.365 2842 I CB 0.977 38.962 38.000 -0.025 0.000 1.407 2842 I HN 0.431 nan 8.210 nan 0.000 0.509 2843 P HA 0.344 nan 4.420 nan 0.000 0.263 2843 P C -1.155 176.222 177.300 0.129 0.000 1.601 2843 P CA 0.131 63.305 63.100 0.124 0.000 1.161 2843 P CB 0.137 31.819 31.700 -0.030 0.000 1.730 2844 A N 2.149 125.074 122.820 0.175 0.000 2.599 2844 A HA 0.569 4.888 4.320 -0.002 0.000 0.290 2844 A C -1.244 176.451 177.584 0.185 0.000 1.101 2844 A CA -0.546 51.558 52.037 0.111 0.000 0.674 2844 A CB 1.071 20.100 19.000 0.049 0.000 1.277 2844 A HN 0.408 nan 8.150 nan 0.000 0.419 2845 c N 1.253 119.887 118.600 0.056 0.000 2.319 2845 c HA 0.799 5.368 4.570 -0.002 0.000 0.335 2845 c C -0.571 173.642 174.090 0.204 0.000 1.274 2845 c CA -0.450 55.952 56.329 0.122 0.000 1.806 2845 c CB -1.418 41.069 42.510 -0.039 0.000 2.329 2845 c HN 0.512 nan 8.230 nan 0.000 0.524 2846 I N 6.257 127.075 120.570 0.413 0.000 2.406 2846 I HA 0.429 4.598 4.170 -0.002 0.000 0.290 2846 I C 1.015 177.404 176.117 0.454 0.000 0.999 2846 I CA -0.085 61.465 61.300 0.417 0.000 1.124 2846 I CB 1.706 39.919 38.000 0.355 0.000 1.289 2846 I HN 0.868 nan 8.210 nan 0.000 0.441 2847 G N 5.248 114.313 108.800 0.442 0.000 2.873 2847 G HA2 0.221 4.180 3.960 -0.002 0.000 0.170 2847 G HA3 0.221 4.180 3.960 -0.002 0.000 0.170 2847 G C -0.077 174.916 174.900 0.156 0.000 1.608 2847 G CA -0.351 44.888 45.100 0.231 0.000 1.084 2847 G HN 0.706 nan 8.290 nan 0.000 0.563 2848 E N -0.955 119.281 120.200 0.061 0.000 2.392 2848 E HA 0.479 4.828 4.350 -0.002 0.000 0.256 2848 E C -0.761 175.862 176.600 0.038 0.000 1.145 2848 E CA -0.386 56.039 56.400 0.043 0.000 0.929 2848 E CB 1.931 31.632 29.700 0.002 0.000 0.998 2848 E HN 0.377 nan 8.360 nan 0.000 0.442 2849 I N 1.125 121.701 120.570 0.012 0.000 2.607 2849 I HA 0.323 4.492 4.170 -0.002 0.000 0.290 2849 I C -1.350 174.739 176.117 -0.046 0.000 1.129 2849 I CA -1.069 60.221 61.300 -0.017 0.000 1.042 2849 I CB 1.411 39.396 38.000 -0.024 0.000 1.242 2849 I HN 0.710 nan 8.210 nan 0.000 0.421 2850 M N 6.979 126.541 119.600 -0.064 0.000 2.530 2850 M HA 0.735 5.214 4.480 -0.002 0.000 0.307 2850 M C -1.898 174.340 176.300 -0.103 0.000 1.161 2850 M CA -0.863 54.394 55.300 -0.072 0.000 0.903 2850 M CB 2.147 34.716 32.600 -0.053 0.000 1.711 2850 M HN 0.231 nan 8.290 nan 0.000 0.451 2851 V N 2.622 122.474 119.914 -0.103 0.000 2.487 2851 V HA 0.339 4.458 4.120 -0.002 0.000 0.298 2851 V C -0.251 175.790 176.094 -0.087 0.000 1.028 2851 V CA -0.600 61.629 62.300 -0.120 0.000 0.860 2851 V CB 1.374 33.115 31.823 -0.137 0.000 0.991 2851 V HN 1.070 nan 8.190 nan 0.000 0.427 2852 N N 3.957 122.607 118.700 -0.083 0.000 2.716 2852 N HA -0.216 4.523 4.740 -0.002 0.000 0.250 2852 N C 1.163 176.641 175.510 -0.053 0.000 1.033 2852 N CA 1.769 54.780 53.050 -0.066 0.000 0.727 2852 N CB -1.044 37.405 38.487 -0.062 0.000 0.950 2852 N HN 1.500 nan 8.380 nan 0.000 0.541 2853 G N -2.283 106.486 108.800 -0.051 0.000 2.234 2853 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.260 2853 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.260 2853 G C -0.246 174.630 174.900 -0.040 0.000 0.987 2853 G CA 0.403 45.479 45.100 -0.040 0.000 0.625 2853 G HN 0.425 nan 8.290 nan 0.000 0.532 2854 Q N 0.336 120.108 119.800 -0.046 0.000 2.290 2854 Q HA 0.534 4.873 4.340 -0.002 0.000 0.259 2854 Q C 0.056 176.028 176.000 -0.047 0.000 0.941 2854 Q CA -0.538 55.239 55.803 -0.043 0.000 0.912 2854 Q CB 1.715 30.427 28.738 -0.044 0.000 1.244 2854 Q HN 0.446 nan 8.270 nan 0.000 0.441 2855 Q N 1.773 121.549 119.800 -0.039 0.000 2.313 2855 Q HA 0.214 4.553 4.340 -0.002 0.000 0.266 2855 Q C -1.122 174.855 176.000 -0.038 0.000 0.989 2855 Q CA -0.044 55.737 55.803 -0.036 0.000 0.890 2855 Q CB 0.435 29.157 28.738 -0.027 0.000 1.200 2855 Q HN 0.363 nan 8.270 nan 0.000 0.396 2856 L N 3.069 124.267 121.223 -0.042 0.000 2.334 2856 L HA 0.247 4.586 4.340 -0.002 0.000 0.277 2856 L C -0.095 176.755 176.870 -0.034 0.000 1.075 2856 L CA -0.054 54.759 54.840 -0.046 0.000 0.804 2856 L CB 1.087 43.109 42.059 -0.061 0.000 1.174 2856 L HN 0.587 nan 8.230 nan 0.000 0.438 2857 D N 1.842 122.222 120.400 -0.034 0.000 2.483 2857 D HA 0.092 4.731 4.640 -0.002 0.000 0.220 2857 D C 0.848 177.126 176.300 -0.037 0.000 1.173 2857 D CA 0.037 54.022 54.000 -0.025 0.000 0.964 2857 D CB 0.524 41.312 40.800 -0.021 0.000 1.046 2857 D HN 0.399 nan 8.370 nan 0.000 0.517 2858 K N 1.184 121.554 120.400 -0.049 0.000 2.280 2858 K HA -0.077 4.242 4.320 -0.002 0.000 0.202 2858 K C 0.858 177.394 176.600 -0.106 0.000 1.047 2858 K CA 0.774 56.975 56.287 -0.143 0.000 0.942 2858 K CB 0.412 32.741 32.500 -0.285 0.000 0.739 2858 K HN 0.342 nan 8.250 nan 0.000 0.457 2859 D N 0.465 120.869 120.400 0.007 0.000 2.347 2859 D HA -0.043 4.596 4.640 -0.002 0.000 0.215 2859 D C 0.231 176.540 176.300 0.015 0.000 0.976 2859 D CA 0.743 54.773 54.000 0.050 0.000 0.884 2859 D CB 0.281 41.117 40.800 0.060 0.000 0.915 2859 D HN 0.121 nan 8.370 nan 0.000 0.526 2860 R N 1.346 121.842 120.500 -0.007 0.000 2.681 2860 R HA 0.231 4.570 4.340 -0.002 0.000 0.277 2860 R C -2.421 173.867 176.300 -0.019 0.000 1.563 2860 R CA -1.076 55.018 56.100 -0.010 0.000 1.673 2860 R CB 1.653 31.948 30.300 -0.009 0.000 1.258 2860 R HN 0.074 nan 8.270 nan 0.000 0.650 2861 P HA 0.118 nan 4.420 nan 0.000 0.276 2861 P C 0.523 177.817 177.300 -0.009 0.000 1.244 2861 P CA -0.378 62.708 63.100 -0.024 0.000 0.801 2861 P CB 1.407 33.090 31.700 -0.028 0.000 1.006 2862 L N -0.213 121.007 121.223 -0.006 0.000 2.270 2862 L HA 0.068 4.407 4.340 -0.002 0.000 0.210 2862 L C 1.380 178.275 176.870 0.042 0.000 1.104 2862 L CA 1.027 55.873 54.840 0.009 0.000 0.804 2862 L CB -0.058 42.000 42.059 -0.002 0.000 0.937 2862 L HN 0.489 nan 8.230 nan 0.000 0.450 2863 S N -1.111 114.625 115.700 0.060 0.000 2.537 2863 S HA 0.798 5.267 4.470 -0.002 0.000 0.270 2863 S C -1.428 173.193 174.600 0.034 0.000 1.142 2863 S CA -0.098 58.170 58.200 0.113 0.000 0.870 2863 S CB 1.940 65.290 63.200 0.251 0.000 1.112 2863 S HN 0.117 nan 8.310 nan 0.000 0.466 2864 A N 1.686 124.476 122.820 -0.049 0.000 2.612 2864 A HA 0.910 5.229 4.320 -0.002 0.000 0.293 2864 A C -0.761 176.677 177.584 -0.243 0.000 1.075 2864 A CA -0.384 51.491 52.037 -0.270 0.000 0.680 2864 A CB 1.388 20.315 19.000 -0.122 0.000 1.279 2864 A HN 1.570 nan 8.150 nan 0.000 0.411 2865 S N -0.301 115.213 115.700 -0.309 0.000 2.570 2865 S HA 0.595 5.064 4.470 -0.002 0.000 0.286 2865 S C -0.160 174.435 174.600 -0.008 0.000 1.143 2865 S CA 0.713 58.875 58.200 -0.063 0.000 0.921 2865 S CB 0.861 64.130 63.200 0.116 0.000 1.108 2865 S HN 2.675 nan 8.310 nan 0.000 0.456 2866 A N 2.299 125.130 122.820 0.018 0.000 2.560 2866 A HA -0.092 4.226 4.320 -0.002 0.000 0.299 2866 A C -0.053 177.529 177.584 -0.003 0.000 1.484 2866 A CA 1.108 53.162 52.037 0.029 0.000 0.749 2866 A CB -2.305 16.738 19.000 0.072 0.000 1.072 2866 A HN 1.270 nan 8.150 nan 0.000 0.426 2867 V N 0.932 120.809 119.914 -0.061 0.000 2.581 2867 V HA 0.773 4.892 4.120 -0.002 0.000 0.303 2867 V C 0.346 176.383 176.094 -0.097 0.000 1.041 2867 V CA -0.291 61.907 62.300 -0.169 0.000 0.907 2867 V CB 1.922 33.600 31.823 -0.243 0.000 0.994 2867 V HN 0.693 nan 8.190 nan 0.000 0.442 2868 D N 1.694 122.023 120.400 -0.118 0.000 2.958 2868 D HA 0.509 5.148 4.640 -0.002 0.000 0.306 2868 D C -0.528 175.665 176.300 -0.178 0.000 1.226 2868 D CA -0.729 53.217 54.000 -0.091 0.000 1.032 2868 D CB 2.054 42.874 40.800 0.033 0.000 1.400 2868 D HN 0.388 nan 8.370 nan 0.000 0.587 2869 R N -0.520 119.855 120.500 -0.208 0.000 2.549 2869 R HA 0.607 4.946 4.340 -0.002 0.000 0.267 2869 R C -0.463 175.737 176.300 -0.167 0.000 1.045 2869 R CA -0.589 55.383 56.100 -0.214 0.000 1.115 2869 R CB 1.127 31.264 30.300 -0.272 0.000 1.121 2869 R HN 0.347 nan 8.270 nan 0.000 0.543 2870 c N 0.957 119.505 118.600 -0.086 0.000 2.391 2870 c HA 0.425 4.994 4.570 -0.002 0.000 0.339 2870 c C -0.284 173.724 174.090 -0.137 0.000 1.205 2870 c CA -1.076 55.201 56.329 -0.086 0.000 1.937 2870 c CB -0.082 42.466 42.510 0.063 0.000 2.341 2870 c HN 0.614 nan 8.230 nan 0.000 0.516 2871 Y N 0.523 120.796 120.300 -0.044 0.000 2.304 2871 Y HA 0.165 4.714 4.550 -0.002 0.000 0.327 2871 Y C 1.540 177.400 175.900 -0.067 0.000 1.209 2871 Y CA -0.166 57.812 58.100 -0.203 0.000 1.299 2871 Y CB 0.561 38.873 38.460 -0.248 0.000 1.249 2871 Y HN 0.506 nan 8.280 nan 0.000 0.519 2872 V N 2.313 122.274 119.914 0.078 0.000 2.392 2872 V HA -0.185 3.934 4.120 -0.002 0.000 0.249 2872 V C 0.293 176.460 176.094 0.122 0.000 1.059 2872 V CA 1.226 63.590 62.300 0.106 0.000 1.051 2872 V CB -0.425 31.428 31.823 0.050 0.000 0.658 2872 V HN 0.494 nan 8.190 nan 0.000 0.455 2873 V N -0.476 119.488 119.914 0.082 0.000 2.525 2873 V HA 0.815 4.934 4.120 -0.002 0.000 0.299 2873 V C -0.179 175.961 176.094 0.077 0.000 1.034 2873 V CA -0.181 62.162 62.300 0.071 0.000 0.863 2873 V CB 1.307 33.151 31.823 0.035 0.000 0.999 2873 V HN 0.291 nan 8.190 nan 0.000 0.423 2874 A N 4.801 127.706 122.820 0.141 0.000 2.350 2874 A HA 1.010 5.329 4.320 -0.002 0.000 0.318 2874 A C -0.681 177.117 177.584 0.355 0.000 1.132 2874 A CA -0.647 51.525 52.037 0.225 0.000 0.811 2874 A CB 2.029 21.211 19.000 0.303 0.000 1.313 2874 A HN 0.912 nan 8.150 nan 0.000 0.454 2875 Q N -0.032 119.935 119.800 0.277 0.000 2.501 2875 Q HA 0.565 4.904 4.340 -0.002 0.000 0.288 2875 Q C -0.796 175.112 176.000 -0.153 0.000 1.051 2875 Q CA -0.814 55.012 55.803 0.038 0.000 0.788 2875 Q CB 1.317 30.103 28.738 0.080 0.000 1.469 2875 Q HN 0.711 nan 8.270 nan 0.000 0.416 2876 E N -0.060 119.786 120.200 -0.590 0.000 2.415 2876 E HA 0.409 4.758 4.350 -0.002 0.000 0.263 2876 E C -0.317 176.255 176.600 -0.048 0.000 0.995 2876 E CA 1.025 57.194 56.400 -0.385 0.000 0.915 2876 E CB 0.158 29.553 29.700 -0.507 0.000 0.951 2876 E HN 0.826 nan 8.360 nan 0.000 0.449 2877 G N 2.343 111.215 108.800 0.120 0.000 2.369 2877 G HA2 0.012 3.971 3.960 -0.002 0.000 0.295 2877 G HA3 0.012 3.971 3.960 -0.002 0.000 0.295 2877 G C -1.090 174.001 174.900 0.318 0.000 1.298 2877 G CA -0.632 44.623 45.100 0.258 0.000 0.940 2877 G HN 0.469 nan 8.290 nan 0.000 0.536 2878 T N 0.697 115.482 114.554 0.384 0.000 2.812 2878 T HA 0.555 4.904 4.350 -0.002 0.000 0.282 2878 T C -1.000 174.016 174.700 0.528 0.000 0.990 2878 T CA -0.183 62.126 62.100 0.349 0.000 0.960 2878 T CB 1.289 70.274 68.868 0.196 0.000 0.948 2878 T HN 0.686 nan 8.240 nan 0.000 0.438 2879 F N 3.893 124.040 119.950 0.329 0.000 2.396 2879 F HA 0.656 5.182 4.527 -0.002 0.000 0.343 2879 F C -1.278 174.726 175.800 0.340 0.000 1.104 2879 F CA -1.448 56.787 58.000 0.392 0.000 1.161 2879 F CB 0.360 39.561 39.000 0.335 0.000 1.146 2879 F HN 0.409 nan 8.300 nan 0.000 0.522 2880 F N 4.822 124.474 119.950 -0.496 0.000 2.449 2880 F HA 0.256 4.782 4.527 -0.002 0.000 0.342 2880 F C 0.999 176.208 175.800 -0.986 0.000 1.127 2880 F CA -0.810 56.948 58.000 -0.404 0.000 0.975 2880 F CB 1.568 40.562 39.000 -0.011 0.000 1.146 2880 F HN 0.620 nan 8.300 nan 0.000 0.444 2881 E N 1.498 121.446 120.200 -0.420 0.000 2.435 2881 E HA 0.232 4.581 4.350 -0.002 0.000 0.195 2881 E C 1.293 177.844 176.600 -0.082 0.000 1.029 2881 E CA 0.714 56.972 56.400 -0.236 0.000 0.865 2881 E CB 0.179 30.045 29.700 0.277 0.000 0.833 2881 E HN 0.876 nan 8.360 nan 0.000 0.510 2882 G N 1.170 109.934 108.800 -0.060 0.000 2.131 2882 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.223 2882 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.223 2882 G C 0.913 175.821 174.900 0.014 0.000 0.990 2882 G CA 0.534 45.617 45.100 -0.029 0.000 0.671 2882 G HN 0.527 nan 8.290 nan 0.000 0.521 2883 S N -1.667 114.050 115.700 0.029 0.000 2.524 2883 S HA 0.627 5.096 4.470 -0.002 0.000 0.222 2883 S C 1.374 175.986 174.600 0.019 0.000 1.040 2883 S CA 0.973 59.189 58.200 0.026 0.000 0.915 2883 S CB 0.983 64.204 63.200 0.034 0.000 0.831 2883 S HN 1.685 nan 8.310 nan 0.000 0.492 2884 G N 0.357 109.163 108.800 0.010 0.000 3.418 2884 G HA2 0.652 4.611 3.960 -0.002 0.000 0.179 2884 G HA3 0.652 4.611 3.960 -0.002 0.000 0.179 2884 G C -0.964 174.022 174.900 0.145 0.000 1.212 2884 G CA -0.170 44.919 45.100 -0.018 0.000 0.935 2884 G HN 0.777 nan 8.290 nan 0.000 0.716 2885 Y N -2.823 117.505 120.300 0.046 0.000 2.960 2885 Y HA 0.733 5.282 4.550 -0.002 0.000 0.361 2885 Y C -0.936 174.981 175.900 0.029 0.000 1.318 2885 Y CA -1.417 56.758 58.100 0.125 0.000 1.103 2885 Y CB 0.696 39.258 38.460 0.170 0.000 1.650 2885 Y HN 1.247 nan 8.280 nan 0.000 0.436 2886 A N 0.906 123.900 122.820 0.289 0.000 2.422 2886 A HA 0.953 5.272 4.320 -0.002 0.000 0.302 2886 A C -1.354 176.286 177.584 0.092 0.000 1.041 2886 A CA -0.347 51.719 52.037 0.049 0.000 0.708 2886 A CB 1.151 20.126 19.000 -0.041 0.000 1.257 2886 A HN 1.801 nan 8.150 nan 0.000 0.414 2887 A N 2.026 124.719 122.820 -0.211 0.000 2.342 2887 A HA 0.827 5.146 4.320 -0.002 0.000 0.323 2887 A C -0.828 176.360 177.584 -0.660 0.000 1.125 2887 A CA -0.340 51.325 52.037 -0.619 0.000 0.785 2887 A CB 0.613 19.009 19.000 -1.006 0.000 1.221 2887 A HN 0.862 nan 8.150 nan 0.000 0.463 2888 L N 1.004 122.053 121.223 -0.290 0.000 2.309 2888 L HA 0.642 4.981 4.340 -0.002 0.000 0.261 2888 L C -0.386 176.620 176.870 0.227 0.000 1.021 2888 L CA -1.107 53.747 54.840 0.024 0.000 0.823 2888 L CB 2.098 44.146 42.059 -0.018 0.000 1.366 2888 L HN 0.617 nan 8.230 nan 0.000 0.423 2889 V N 0.705 120.764 119.914 0.242 0.000 6.104 2889 V HA -0.250 3.869 4.120 -0.002 0.000 0.260 2889 V C 1.410 177.578 176.094 0.122 0.000 0.610 2889 V CA 1.192 63.592 62.300 0.166 0.000 0.645 2889 V CB -1.614 30.299 31.823 0.150 0.000 0.494 2889 V HN 0.986 nan 8.190 nan 0.000 0.545 2890 K N 2.091 122.456 120.400 -0.058 0.000 2.147 2890 K HA -0.203 4.116 4.320 -0.002 0.000 0.205 2890 K C 2.013 178.483 176.600 -0.217 0.000 1.049 2890 K CA 1.715 57.709 56.287 -0.488 0.000 0.936 2890 K CB 0.170 32.115 32.500 -0.925 0.000 0.722 2890 K HN 0.929 nan 8.250 nan 0.000 0.446 2891 E N 0.288 120.428 120.200 -0.099 0.000 2.427 2891 E HA -0.018 4.331 4.350 -0.002 0.000 0.196 2891 E C 0.429 177.022 176.600 -0.012 0.000 1.028 2891 E CA 0.913 57.281 56.400 -0.053 0.000 0.864 2891 E CB -0.038 29.645 29.700 -0.029 0.000 0.813 2891 E HN 0.319 nan 8.360 nan 0.000 0.514 2892 G N 0.575 109.391 108.800 0.025 0.000 2.911 2892 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.686 2892 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.686 2892 G C -1.686 173.277 174.900 0.105 0.000 1.136 2892 G CA -0.353 44.784 45.100 0.063 0.000 0.764 2892 G HN 0.256 nan 8.290 nan 0.000 0.626 2893 Y N 1.867 122.179 120.300 0.020 0.000 2.352 2893 Y HA 0.687 5.236 4.550 -0.001 0.000 0.339 2893 Y C 0.308 176.222 175.900 0.024 0.000 0.992 2893 Y CA -0.967 57.147 58.100 0.023 0.000 1.100 2893 Y CB 1.560 40.037 38.460 0.029 0.000 1.192 2893 Y HN 0.462 nan 8.280 nan 0.000 0.458 2894 K N 5.923 125.949 120.400 -0.623 0.000 2.347 2894 K HA 0.293 4.612 4.320 -0.002 0.000 0.262 2894 K C 0.444 176.792 176.600 -0.420 0.000 1.052 2894 K CA -0.393 55.681 56.287 -0.356 0.000 0.946 2894 K CB 1.575 33.927 32.500 -0.246 0.000 1.220 2894 K HN 0.588 nan 8.250 nan 0.000 0.450 2895 V N 2.809 122.674 119.914 -0.082 0.000 2.252 2895 V HA -0.335 3.784 4.120 -0.002 0.000 0.249 2895 V C 1.416 177.526 176.094 0.026 0.000 1.056 2895 V CA 1.664 64.026 62.300 0.104 0.000 1.022 2895 V CB -0.783 31.145 31.823 0.174 0.000 0.641 2895 V HN 0.953 nan 8.190 nan 0.000 0.445 2896 R N -2.032 118.468 120.500 0.000 0.000 3.943 2896 R HA -0.298 4.041 4.340 -0.002 0.000 0.368 2896 R C 1.351 177.667 176.300 0.026 0.000 0.242 2896 R CA 1.971 58.070 56.100 -0.002 0.000 1.197 2896 R CB -1.587 28.695 30.300 -0.030 0.000 0.990 2896 R HN 0.309 nan 8.270 nan 0.000 0.565 2897 L N -0.636 120.605 121.223 0.030 0.000 2.145 2897 L HA 0.144 4.483 4.340 -0.002 0.000 0.201 2897 L C 0.965 177.876 176.870 0.068 0.000 1.075 2897 L CA 0.807 55.673 54.840 0.044 0.000 0.773 2897 L CB -0.097 41.985 42.059 0.037 0.000 0.936 2897 L HN 0.427 nan 8.230 nan 0.000 0.451 2898 D N -0.032 120.423 120.400 0.092 0.000 2.649 2898 D HA 0.474 5.113 4.640 -0.002 0.000 0.249 2898 D C -1.650 174.759 176.300 0.181 0.000 1.112 2898 D CA -0.341 53.746 54.000 0.145 0.000 0.850 2898 D CB 2.872 43.763 40.800 0.151 0.000 1.399 2898 D HN -0.184 nan 8.370 nan 0.000 0.503 2899 L N 2.920 124.287 121.223 0.241 0.000 2.482 2899 L HA 0.408 4.747 4.340 -0.002 0.000 0.263 2899 L C -1.832 175.178 176.870 0.233 0.000 0.957 2899 L CA -0.319 54.655 54.840 0.224 0.000 0.836 2899 L CB 2.120 44.322 42.059 0.239 0.000 1.324 2899 L HN 0.456 nan 8.230 nan 0.000 0.406 2900 Q N 4.372 124.219 119.800 0.079 0.000 2.304 2900 Q HA 0.716 5.055 4.340 -0.002 0.000 0.270 2900 Q C -1.866 174.094 176.000 -0.067 0.000 1.035 2900 Q CA -0.542 55.239 55.803 -0.037 0.000 0.781 2900 Q CB 1.892 30.489 28.738 -0.236 0.000 1.261 2900 Q HN 0.747 nan 8.270 nan 0.000 0.444 2901 I N 3.190 123.694 120.570 -0.111 0.000 2.406 2901 I HA 0.473 4.641 4.170 -0.002 0.000 0.290 2901 I C -0.448 175.586 176.117 -0.138 0.000 0.999 2901 I CA -0.688 60.536 61.300 -0.127 0.000 1.124 2901 I CB 2.115 40.021 38.000 -0.157 0.000 1.289 2901 I HN 0.675 nan 8.210 nan 0.000 0.441 2902 T N 4.704 119.196 114.554 -0.102 0.000 2.893 2902 T HA 0.887 5.236 4.350 -0.002 0.000 0.293 2902 T C -0.763 173.904 174.700 -0.055 0.000 1.027 2902 T CA -0.692 61.357 62.100 -0.085 0.000 0.988 2902 T CB 2.069 70.889 68.868 -0.080 0.000 1.043 2902 T HN 0.536 nan 8.240 nan 0.000 0.461 2903 L N -1.460 119.747 121.223 -0.026 0.000 3.079 2903 L HA 0.883 5.222 4.340 -0.002 0.000 0.278 2903 L C -1.530 175.385 176.870 0.075 0.000 1.026 2903 L CA -1.043 53.808 54.840 0.018 0.000 0.963 2903 L CB 1.097 43.167 42.059 0.018 0.000 1.526 2903 L HN 0.726 nan 8.230 nan 0.000 0.397 2904 E N 0.318 120.597 120.200 0.131 0.000 2.266 2904 E HA 0.803 5.152 4.350 -0.002 0.000 0.268 2904 E C -1.714 175.193 176.600 0.512 0.000 0.879 2904 E CA -0.472 56.051 56.400 0.205 0.000 0.762 2904 E CB 2.631 32.355 29.700 0.040 0.000 1.199 2904 E HN 0.587 nan 8.360 nan 0.000 0.422 2905 F N -0.394 119.835 119.950 0.464 0.000 2.645 2905 F HA 0.701 5.226 4.527 -0.002 0.000 0.310 2905 F C -1.410 174.456 175.800 0.109 0.000 1.102 2905 F CA -1.180 57.012 58.000 0.320 0.000 0.952 2905 F CB 1.270 40.322 39.000 0.087 0.000 1.326 2905 F HN 0.369 nan 8.300 nan 0.000 0.456 2906 R N 1.170 121.637 120.500 -0.056 0.000 2.725 2906 R HA 0.872 5.211 4.340 -0.002 0.000 0.277 2906 R C -1.645 174.693 176.300 0.063 0.000 0.987 2906 R CA -0.785 55.157 56.100 -0.262 0.000 0.901 2906 R CB 2.037 31.705 30.300 -1.053 0.000 1.207 2906 R HN 1.014 nan 8.270 nan 0.000 0.463 2907 T N -0.297 114.307 114.554 0.083 0.000 2.827 2907 T HA 0.246 4.595 4.350 -0.002 0.000 0.328 2907 T C -0.427 174.267 174.700 -0.010 0.000 1.598 2907 T CA -0.079 62.016 62.100 -0.008 0.000 1.043 2907 T CB 1.698 70.565 68.868 -0.003 0.000 1.447 2907 T HN 0.815 nan 8.240 nan 0.000 0.491 2908 T N -0.593 113.926 114.554 -0.058 0.000 3.132 2908 T HA 0.444 4.793 4.350 -0.002 0.000 0.274 2908 T C 0.500 175.176 174.700 -0.040 0.000 1.011 2908 T CA -0.030 62.051 62.100 -0.032 0.000 0.899 2908 T CB 0.196 69.046 68.868 -0.031 0.000 1.089 2908 T HN 0.503 nan 8.240 nan 0.000 0.543 2909 S N 1.319 116.977 115.700 -0.070 0.000 2.549 2909 S HA 0.437 4.906 4.470 -0.002 0.000 0.297 2909 S C 0.955 175.533 174.600 -0.037 0.000 1.115 2909 S CA -0.844 57.315 58.200 -0.069 0.000 1.059 2909 S CB 1.393 64.517 63.200 -0.127 0.000 1.046 2909 S HN 0.545 nan 8.310 nan 0.000 0.506 2910 K N 2.144 122.530 120.400 -0.023 0.000 2.444 2910 K HA 0.225 4.544 4.320 -0.002 0.000 0.193 2910 K C -0.417 176.179 176.600 -0.006 0.000 1.024 2910 K CA 0.104 56.386 56.287 -0.008 0.000 1.077 2910 K CB -0.258 32.239 32.500 -0.006 0.000 0.833 2910 K HN 0.461 nan 8.250 nan 0.000 0.517 2911 N N -0.006 118.687 118.700 -0.012 0.000 2.260 2911 N HA 0.551 5.290 4.740 -0.002 0.000 0.293 2911 N C -1.422 174.096 175.510 0.013 0.000 1.058 2911 N CA -0.689 52.362 53.050 0.001 0.000 0.824 2911 N CB 2.390 40.877 38.487 0.000 0.000 1.551 2911 N HN 0.258 nan 8.380 nan 0.000 0.475 2912 G N 0.118 108.947 108.800 0.048 0.000 2.405 2912 G HA2 0.254 4.213 3.960 -0.002 0.000 0.312 2912 G HA3 0.254 4.213 3.960 -0.002 0.000 0.312 2912 G C -1.457 173.497 174.900 0.089 0.000 1.579 2912 G CA -0.599 44.571 45.100 0.116 0.000 0.933 2912 G HN 0.399 nan 8.290 nan 0.000 0.628 2913 V N 3.334 123.296 119.914 0.080 0.000 2.572 2913 V HA 0.211 4.330 4.120 -0.002 0.000 0.291 2913 V C 1.327 177.376 176.094 -0.076 0.000 1.039 2913 V CA 0.109 62.439 62.300 0.050 0.000 1.055 2913 V CB 1.245 33.156 31.823 0.147 0.000 0.969 2913 V HN 0.705 nan 8.190 nan 0.000 0.482 2914 L N 4.537 125.657 121.223 -0.171 0.000 2.262 2914 L HA 0.429 4.768 4.340 -0.002 0.000 0.197 2914 L C 0.299 177.057 176.870 -0.187 0.000 1.073 2914 L CA 0.750 55.378 54.840 -0.352 0.000 0.800 2914 L CB 0.291 42.098 42.059 -0.420 0.000 0.987 2914 L HN 0.457 nan 8.230 nan 0.000 0.470 2915 L N -0.801 120.381 121.223 -0.069 0.000 2.545 2915 L HA 0.714 5.053 4.340 -0.002 0.000 0.258 2915 L C -1.454 175.447 176.870 0.053 0.000 0.942 2915 L CA -0.433 54.407 54.840 -0.001 0.000 0.855 2915 L CB 2.264 44.300 42.059 -0.039 0.000 1.374 2915 L HN -0.051 nan 8.230 nan 0.000 0.411 2916 G N 4.329 113.179 108.800 0.083 0.000 2.731 2916 G HA2 0.693 4.652 3.960 -0.002 0.000 0.298 2916 G HA3 0.693 4.652 3.960 -0.002 0.000 0.298 2916 G C -1.759 173.198 174.900 0.096 0.000 1.424 2916 G CA -0.377 44.757 45.100 0.057 0.000 1.029 2916 G HN 0.524 nan 8.290 nan 0.000 0.518 2917 I N 1.545 122.160 120.570 0.075 0.000 2.500 2917 I HA 0.532 4.701 4.170 -0.002 0.000 0.286 2917 I C -0.377 175.779 176.117 0.065 0.000 1.063 2917 I CA -0.674 60.690 61.300 0.107 0.000 1.062 2917 I CB 2.161 40.243 38.000 0.137 0.000 1.223 2917 I HN 0.468 nan 8.210 nan 0.000 0.435 2918 S N 3.883 119.613 115.700 0.049 0.000 2.541 2918 S HA 0.639 5.108 4.470 -0.002 0.000 0.271 2918 S C -0.315 174.292 174.600 0.011 0.000 1.133 2918 S CA -0.490 57.711 58.200 0.001 0.000 0.876 2918 S CB 1.809 64.963 63.200 -0.076 0.000 1.105 2918 S HN 0.702 nan 8.310 nan 0.000 0.470 2919 S N 2.680 118.381 115.700 0.001 0.000 2.655 2919 S HA 0.641 5.110 4.470 -0.002 0.000 0.265 2919 S C 1.074 175.666 174.600 -0.014 0.000 1.240 2919 S CA -0.109 58.093 58.200 0.003 0.000 0.986 2919 S CB 0.887 64.087 63.200 -0.000 0.000 0.985 2919 S HN 1.323 nan 8.310 nan 0.000 0.562 2920 A N 0.072 122.887 122.820 -0.008 0.000 2.259 2920 A HA 0.261 4.580 4.320 -0.002 0.000 0.208 2920 A C 1.199 178.772 177.584 -0.018 0.000 1.201 2920 A CA 0.074 52.102 52.037 -0.014 0.000 0.824 2920 A CB -0.445 18.555 19.000 -0.001 0.000 0.838 2920 A HN 0.804 nan 8.150 nan 0.000 0.485 2921 K N -2.029 118.359 120.400 -0.019 0.000 4.650 2921 K HA 0.385 4.704 4.320 -0.002 0.000 0.256 2921 K C 1.117 177.700 176.600 -0.029 0.000 1.139 2921 K CA 0.275 56.550 56.287 -0.021 0.000 1.927 2921 K CB 0.014 32.505 32.500 -0.015 0.000 2.928 2921 K HN -0.023 nan 8.250 nan 0.000 0.661 2922 V N 1.464 121.363 119.914 -0.026 0.000 2.599 2922 V HA 0.002 4.121 4.120 -0.002 0.000 0.237 2922 V C -0.284 175.790 176.094 -0.032 0.000 1.081 2922 V CA 0.734 63.015 62.300 -0.031 0.000 1.107 2922 V CB -0.218 31.588 31.823 -0.029 0.000 0.808 2922 V HN 0.392 nan 8.190 nan 0.000 0.486 2923 D N 0.942 121.328 120.400 -0.024 0.000 2.493 2923 D HA 0.492 5.131 4.640 -0.002 0.000 0.240 2923 D C -0.043 176.248 176.300 -0.015 0.000 1.142 2923 D CA 1.316 55.305 54.000 -0.018 0.000 0.872 2923 D CB 0.636 41.430 40.800 -0.010 0.000 1.173 2923 D HN 0.592 nan 8.370 nan 0.000 0.467 2924 A N 1.282 124.094 122.820 -0.014 0.000 2.522 2924 A HA 0.547 4.866 4.320 -0.002 0.000 0.294 2924 A C -1.605 175.977 177.584 -0.002 0.000 1.001 2924 A CA -0.904 51.130 52.037 -0.005 0.000 0.642 2924 A CB 0.391 19.372 19.000 -0.033 0.000 1.326 2924 A HN 0.519 nan 8.150 nan 0.000 0.435 2925 I N -2.015 118.571 120.570 0.027 0.000 2.934 2925 I HA 1.015 5.184 4.170 -0.002 0.000 0.306 2925 I C 0.082 176.250 176.117 0.085 0.000 1.110 2925 I CA -0.427 60.900 61.300 0.045 0.000 1.019 2925 I CB 2.286 40.350 38.000 0.106 0.000 1.227 2925 I HN 1.524 nan 8.210 nan 0.000 0.434 2926 G N 3.148 112.033 108.800 0.142 0.000 2.742 2926 G HA2 0.644 4.603 3.960 -0.002 0.000 0.296 2926 G HA3 0.644 4.603 3.960 -0.002 0.000 0.296 2926 G C -2.529 172.516 174.900 0.240 0.000 1.436 2926 G CA -0.707 44.495 45.100 0.170 0.000 0.928 2926 G HN 0.743 nan 8.290 nan 0.000 0.520 2927 L N 1.074 122.385 121.223 0.146 0.000 2.409 2927 L HA 0.826 5.165 4.340 -0.002 0.000 0.272 2927 L C -0.381 176.483 176.870 -0.010 0.000 0.980 2927 L CA -0.575 54.306 54.840 0.068 0.000 0.826 2927 L CB 1.706 43.750 42.059 -0.025 0.000 1.268 2927 L HN 0.867 nan 8.230 nan 0.000 0.407 2928 E N 4.263 124.444 120.200 -0.033 0.000 2.412 2928 E HA 0.521 4.870 4.350 -0.002 0.000 0.279 2928 E C -1.486 175.080 176.600 -0.058 0.000 0.984 2928 E CA -0.893 55.486 56.400 -0.035 0.000 0.788 2928 E CB 1.858 31.594 29.700 0.061 0.000 1.277 2928 E HN 0.442 nan 8.360 nan 0.000 0.455 2929 I N 1.726 122.259 120.570 -0.062 0.000 2.339 2929 I HA 0.369 4.538 4.170 -0.002 0.000 0.290 2929 I C -0.955 175.162 176.117 0.000 0.000 0.994 2929 I CA -1.135 60.135 61.300 -0.050 0.000 1.191 2929 I CB 1.730 39.680 38.000 -0.084 0.000 1.343 2929 I HN 0.305 nan 8.210 nan 0.000 0.458 2930 V N 5.062 124.982 119.914 0.011 0.000 2.482 2930 V HA 0.215 4.334 4.120 -0.002 0.000 0.295 2930 V C -0.103 175.998 176.094 0.012 0.000 1.026 2930 V CA -0.480 61.834 62.300 0.022 0.000 0.856 2930 V CB 1.425 33.276 31.823 0.045 0.000 1.001 2930 V HN 0.903 nan 8.190 nan 0.000 0.424 2931 D N 4.305 124.709 120.400 0.006 0.000 2.708 2931 D HA -0.163 4.476 4.640 -0.002 0.000 0.236 2931 D C 1.272 177.568 176.300 -0.007 0.000 1.146 2931 D CA 2.149 56.148 54.000 -0.000 0.000 0.662 2931 D CB -1.034 39.766 40.800 0.000 0.000 1.059 2931 D HN 1.582 nan 8.370 nan 0.000 0.428 2932 G N -0.815 107.983 108.800 -0.004 0.000 2.179 2932 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.260 2932 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.260 2932 G C 0.339 175.232 174.900 -0.010 0.000 0.977 2932 G CA 0.805 45.901 45.100 -0.006 0.000 0.641 2932 G HN 0.634 nan 8.290 nan 0.000 0.533 2933 K N -0.337 120.058 120.400 -0.009 0.000 2.156 2933 K HA 0.730 5.049 4.320 -0.002 0.000 0.250 2933 K C -0.048 176.572 176.600 0.033 0.000 0.955 2933 K CA -0.782 55.500 56.287 -0.008 0.000 0.855 2933 K CB 2.681 35.165 32.500 -0.027 0.000 1.101 2933 K HN 0.093 nan 8.250 nan 0.000 0.434 2934 V N 3.487 123.461 119.914 0.100 0.000 2.394 2934 V HA 0.397 4.516 4.120 -0.002 0.000 0.282 2934 V C -0.568 175.557 176.094 0.052 0.000 1.031 2934 V CA -0.790 61.557 62.300 0.078 0.000 0.881 2934 V CB 0.541 32.452 31.823 0.146 0.000 0.982 2934 V HN 0.496 nan 8.190 nan 0.000 0.451 2935 L N 5.139 126.344 121.223 -0.029 0.000 2.346 2935 L HA 0.615 4.954 4.340 -0.002 0.000 0.276 2935 L C -1.032 175.731 176.870 -0.178 0.000 1.006 2935 L CA -0.471 54.285 54.840 -0.140 0.000 0.817 2935 L CB 1.989 43.900 42.059 -0.247 0.000 1.272 2935 L HN 0.524 nan 8.230 nan 0.000 0.421 2936 F N 3.244 122.976 119.950 -0.364 0.000 2.460 2936 F HA 0.502 5.028 4.527 -0.002 0.000 0.341 2936 F C -0.506 175.121 175.800 -0.287 0.000 1.130 2936 F CA -0.583 57.258 58.000 -0.265 0.000 0.962 2936 F CB 0.653 39.587 39.000 -0.110 0.000 1.171 2936 F HN 0.369 nan 8.300 nan 0.000 0.436 2937 H N 5.210 124.185 119.070 -0.158 0.000 2.469 2937 H HA 0.727 5.282 4.556 -0.002 0.000 0.342 2937 H C -0.990 174.099 175.328 -0.398 0.000 1.115 2937 H CA -0.842 55.055 56.048 -0.251 0.000 1.204 2937 H CB 2.267 31.970 29.762 -0.098 0.000 1.492 2937 H HN 0.381 nan 8.280 nan 0.000 0.499 2938 V N 3.246 123.022 119.914 -0.230 0.000 2.668 2938 V HA 0.178 4.297 4.120 -0.002 0.000 0.304 2938 V C -0.258 175.772 176.094 -0.106 0.000 1.071 2938 V CA -0.877 61.291 62.300 -0.220 0.000 0.894 2938 V CB 2.247 33.870 31.823 -0.333 0.000 1.008 2938 V HN 0.680 nan 8.190 nan 0.000 0.425 2939 N N 3.455 122.113 118.700 -0.069 0.000 2.491 2939 N HA 0.359 5.098 4.740 -0.002 0.000 0.274 2939 N C 0.017 175.503 175.510 -0.039 0.000 1.023 2939 N CA -0.343 52.677 53.050 -0.049 0.000 0.902 2939 N CB 1.646 40.104 38.487 -0.048 0.000 1.267 2939 N HN 0.578 nan 8.380 nan 0.000 0.503 2940 N N 1.747 120.424 118.700 -0.039 0.000 2.336 2940 N HA 0.157 4.896 4.740 -0.002 0.000 0.189 2940 N C 1.004 176.489 175.510 -0.041 0.000 1.113 2940 N CA 0.777 53.806 53.050 -0.035 0.000 0.858 2940 N CB 0.784 39.249 38.487 -0.037 0.000 0.970 2940 N HN 0.833 nan 8.380 nan 0.000 0.471 2941 G N -0.401 108.372 108.800 -0.045 0.000 2.421 2941 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.188 2941 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.188 2941 G C 0.676 175.545 174.900 -0.053 0.000 1.001 2941 G CA 0.145 45.221 45.100 -0.040 0.000 0.693 2941 G HN 0.405 nan 8.290 nan 0.000 0.479 2942 A N 0.099 122.868 122.820 -0.085 0.000 2.390 2942 A HA 0.742 5.061 4.320 -0.002 0.000 0.232 2942 A C 1.293 178.819 177.584 -0.096 0.000 1.233 2942 A CA 1.358 53.311 52.037 -0.140 0.000 0.907 2942 A CB 0.171 19.018 19.000 -0.254 0.000 0.967 2942 A HN 2.314 nan 8.150 nan 0.000 0.512 2943 G N -0.747 108.036 108.800 -0.028 0.000 2.317 2943 G HA2 0.248 4.207 3.960 -0.002 0.000 0.445 2943 G HA3 0.248 4.207 3.960 -0.002 0.000 0.445 2943 G C -0.689 174.217 174.900 0.010 0.000 1.486 2943 G CA -0.654 44.452 45.100 0.010 0.000 0.991 2943 G HN 0.510 nan 8.290 nan 0.000 0.660 2944 R N 0.166 120.661 120.500 -0.007 0.000 2.442 2944 R HA 0.506 4.845 4.340 -0.002 0.000 0.291 2944 R C -0.066 176.233 176.300 -0.003 0.000 1.069 2944 R CA -0.170 55.916 56.100 -0.024 0.000 1.022 2944 R CB 0.150 30.415 30.300 -0.059 0.000 0.976 2944 R HN 0.420 nan 8.270 nan 0.000 0.443 2945 I N 3.506 124.064 120.570 -0.020 0.000 2.378 2945 I HA 0.273 4.442 4.170 -0.002 0.000 0.291 2945 I C -0.447 175.659 176.117 -0.019 0.000 0.992 2945 I CA -0.558 60.724 61.300 -0.029 0.000 1.154 2945 I CB 2.261 40.217 38.000 -0.072 0.000 1.315 2945 I HN 0.581 nan 8.210 nan 0.000 0.448 2946 T N 4.855 119.423 114.554 0.023 0.000 2.881 2946 T HA 0.664 5.013 4.350 -0.002 0.000 0.290 2946 T C -0.540 174.175 174.700 0.024 0.000 1.000 2946 T CA -0.587 61.550 62.100 0.062 0.000 0.978 2946 T CB 1.817 70.808 68.868 0.206 0.000 0.997 2946 T HN 0.647 nan 8.240 nan 0.000 0.443 2947 A N 2.554 125.382 122.820 0.014 0.000 2.318 2947 A HA 0.761 5.080 4.320 -0.002 0.000 0.324 2947 A C -0.016 177.607 177.584 0.064 0.000 1.170 2947 A CA -0.660 51.416 52.037 0.065 0.000 0.810 2947 A CB 0.739 19.817 19.000 0.131 0.000 1.198 2947 A HN 0.687 nan 8.150 nan 0.000 0.484 2948 T N 2.328 116.926 114.554 0.072 0.000 2.786 2948 T HA 0.434 4.783 4.350 -0.002 0.000 0.283 2948 T C -1.344 173.424 174.700 0.113 0.000 0.992 2948 T CA 0.026 62.168 62.100 0.070 0.000 0.954 2948 T CB 0.490 69.382 68.868 0.039 0.000 0.934 2948 T HN 0.487 nan 8.240 nan 0.000 0.440 2949 Y N 3.437 123.743 120.300 0.010 0.000 2.334 2949 Y HA 0.533 5.082 4.550 -0.002 0.000 0.336 2949 Y C -0.191 175.716 175.900 0.012 0.000 0.960 2949 Y CA -0.968 57.141 58.100 0.015 0.000 1.164 2949 Y CB 1.119 39.591 38.460 0.019 0.000 1.155 2949 Y HN 0.572 nan 8.280 nan 0.000 0.478 2950 Q N 9.250 128.636 119.800 -0.691 0.000 2.327 2950 Q HA 0.482 4.821 4.340 -0.002 0.000 0.270 2950 Q C -2.659 172.881 176.000 -0.767 0.000 1.022 2950 Q CA -2.450 53.014 55.803 -0.565 0.000 0.773 2950 Q CB 1.592 30.178 28.738 -0.253 0.000 1.251 2950 Q HN 0.494 nan 8.270 nan 0.000 0.457 2951 P HA -0.013 nan 4.420 nan 0.000 0.269 2951 P C -0.331 176.873 177.300 -0.160 0.000 1.215 2951 P CA -0.035 62.858 63.100 -0.345 0.000 0.780 2951 P CB 0.863 32.504 31.700 -0.098 0.000 0.898 2952 R N 1.734 122.197 120.500 -0.062 0.000 2.117 2952 R HA -0.024 4.315 4.340 -0.002 0.000 0.243 2952 R C 0.918 177.204 176.300 -0.024 0.000 1.143 2952 R CA 1.313 57.396 56.100 -0.029 0.000 0.968 2952 R CB -1.031 29.275 30.300 0.009 0.000 0.863 2952 R HN 0.445 nan 8.270 nan 0.000 0.444 2953 A N 0.802 123.615 122.820 -0.011 0.000 2.294 2953 A HA 0.652 4.971 4.320 -0.002 0.000 0.316 2953 A C 1.243 178.817 177.584 -0.017 0.000 1.359 2953 A CA -0.011 52.024 52.037 -0.004 0.000 0.956 2953 A CB 0.842 19.853 19.000 0.019 0.000 1.155 2953 A HN 0.365 nan 8.150 nan 0.000 0.544 2954 A N 3.019 125.825 122.820 -0.024 0.000 1.923 2954 A HA -0.227 4.092 4.320 -0.002 0.000 0.222 2954 A C 1.672 179.243 177.584 -0.022 0.000 1.258 2954 A CA 1.839 53.859 52.037 -0.029 0.000 0.670 2954 A CB -0.299 18.689 19.000 -0.020 0.000 0.834 2954 A HN 0.649 nan 8.150 nan 0.000 0.470 2955 R N -1.213 119.283 120.500 -0.007 0.000 2.791 2955 R HA 0.494 4.833 4.340 -0.002 0.000 0.357 2955 R C 1.310 177.619 176.300 0.016 0.000 1.173 2955 R CA 0.564 56.666 56.100 0.002 0.000 1.060 2955 R CB -0.877 29.426 30.300 0.005 0.000 1.406 2955 R HN 0.517 nan 8.270 nan 0.000 0.580 2956 A N 0.568 123.398 122.820 0.017 0.000 1.969 2956 A HA -0.026 4.293 4.320 -0.002 0.000 0.218 2956 A C 1.960 179.561 177.584 0.027 0.000 1.169 2956 A CA 0.838 52.905 52.037 0.049 0.000 0.635 2956 A CB -0.138 18.901 19.000 0.065 0.000 0.810 2956 A HN 0.272 nan 8.150 nan 0.000 0.445 2957 L N -0.336 120.851 121.223 -0.059 0.000 2.240 2957 L HA -0.113 4.226 4.340 -0.002 0.000 0.211 2957 L C 1.905 178.774 176.870 -0.002 0.000 1.106 2957 L CA 1.019 55.736 54.840 -0.206 0.000 0.793 2957 L CB -0.474 41.551 42.059 -0.055 0.000 0.927 2957 L HN 0.705 nan 8.230 nan 0.000 0.446 2958 c N -1.395 117.230 118.600 0.041 0.000 2.271 2958 c HA 0.186 4.755 4.570 -0.002 0.000 0.364 2958 c C 1.486 175.607 174.090 0.052 0.000 1.337 2958 c CA -0.689 55.672 56.329 0.054 0.000 1.753 2958 c CB -1.781 40.743 42.510 0.024 0.000 2.123 2958 c HN 0.492 nan 8.230 nan 0.000 0.577 2959 D N -0.219 120.235 120.400 0.091 0.000 2.340 2959 D HA 0.183 4.822 4.640 -0.002 0.000 0.220 2959 D C 1.707 178.030 176.300 0.038 0.000 1.039 2959 D CA 0.693 54.736 54.000 0.072 0.000 0.866 2959 D CB -0.340 40.521 40.800 0.102 0.000 0.913 2959 D HN 0.798 nan 8.370 nan 0.000 0.523 2960 G N 0.339 109.155 108.800 0.028 0.000 2.179 2960 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.260 2960 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.260 2960 G C 0.254 175.074 174.900 -0.133 0.000 0.977 2960 G CA 0.478 45.545 45.100 -0.054 0.000 0.641 2960 G HN 0.516 nan 8.290 nan 0.000 0.533 2961 K N -0.907 119.437 120.400 -0.092 0.000 2.109 2961 K HA 0.509 4.828 4.320 -0.002 0.000 0.243 2961 K C -0.232 176.160 176.600 -0.348 0.000 1.006 2961 K CA -0.884 55.285 56.287 -0.197 0.000 0.917 2961 K CB 0.941 33.341 32.500 -0.166 0.000 1.081 2961 K HN 0.136 nan 8.250 nan 0.000 0.468 2962 W N 1.264 122.387 121.300 -0.295 0.000 2.261 2962 W HA 0.149 4.808 4.660 -0.002 0.000 0.323 2962 W C 0.595 176.715 176.519 -0.665 0.000 1.243 2962 W CA 0.047 57.188 57.345 -0.341 0.000 1.210 2962 W CB 0.593 29.928 29.460 -0.209 0.000 1.149 2962 W HN 0.310 nan 8.180 nan 0.000 0.562 2963 H N 0.668 119.583 119.070 -0.257 0.000 2.690 2963 H HA 0.340 4.895 4.556 -0.002 0.000 0.368 2963 H C -0.110 175.017 175.328 -0.334 0.000 1.150 2963 H CA -0.705 55.098 56.048 -0.409 0.000 1.174 2963 H CB 1.874 31.174 29.762 -0.770 0.000 1.684 2963 H HN 0.283 nan 8.280 nan 0.000 0.538 2964 T N 0.417 114.922 114.554 -0.082 0.000 2.907 2964 T HA 0.619 4.968 4.350 -0.002 0.000 0.284 2964 T C -0.044 174.649 174.700 -0.013 0.000 1.004 2964 T CA -0.894 61.179 62.100 -0.045 0.000 1.063 2964 T CB 1.370 70.204 68.868 -0.057 0.000 0.992 2964 T HN 0.407 nan 8.240 nan 0.000 0.483 2965 L N 1.432 122.665 121.223 0.016 0.000 2.455 2965 L HA 0.557 4.896 4.340 -0.002 0.000 0.264 2965 L C -1.563 175.269 176.870 -0.062 0.000 0.968 2965 L CA -0.613 54.230 54.840 0.005 0.000 0.827 2965 L CB 2.155 44.288 42.059 0.123 0.000 1.317 2965 L HN 0.836 nan 8.230 nan 0.000 0.407 2966 Q N 4.026 123.758 119.800 -0.112 0.000 2.271 2966 Q HA 0.729 5.068 4.340 -0.002 0.000 0.268 2966 Q C -1.313 174.563 176.000 -0.206 0.000 1.021 2966 Q CA -0.661 55.059 55.803 -0.139 0.000 0.802 2966 Q CB 2.542 31.217 28.738 -0.105 0.000 1.282 2966 Q HN 0.707 nan 8.270 nan 0.000 0.431 2967 A N 2.483 125.119 122.820 -0.308 0.000 2.319 2967 A HA 0.543 4.862 4.320 -0.002 0.000 0.310 2967 A C -1.766 175.642 177.584 -0.293 0.000 1.152 2967 A CA -0.440 51.248 52.037 -0.580 0.000 0.783 2967 A CB 0.742 18.988 19.000 -1.258 0.000 1.184 2967 A HN 0.818 nan 8.150 nan 0.000 0.474 2968 H N 2.348 121.330 119.070 -0.146 0.000 2.547 2968 H HA 0.471 5.026 4.556 -0.002 0.000 0.342 2968 H C -0.824 174.648 175.328 0.240 0.000 1.048 2968 H CA -0.583 55.493 56.048 0.047 0.000 1.204 2968 H CB 1.043 30.814 29.762 0.016 0.000 1.493 2968 H HN 0.652 nan 8.280 nan 0.000 0.511 2969 K N 3.977 124.592 120.400 0.359 0.000 2.307 2969 K HA 0.224 4.543 4.320 -0.002 0.000 0.263 2969 K C -1.390 175.161 176.600 -0.081 0.000 0.973 2969 K CA -0.531 55.836 56.287 0.132 0.000 0.846 2969 K CB 1.479 34.113 32.500 0.223 0.000 1.100 2969 K HN 0.478 nan 8.250 nan 0.000 0.438 2970 S N 4.621 120.183 115.700 -0.229 0.000 2.664 2970 S HA 0.293 4.762 4.470 -0.002 0.000 0.262 2970 S C -0.626 173.909 174.600 -0.108 0.000 1.229 2970 S CA -0.452 57.636 58.200 -0.186 0.000 1.151 2970 S CB 0.092 63.105 63.200 -0.312 0.000 1.054 2970 S HN 0.926 nan 8.310 nan 0.000 0.483 2971 K N 2.037 122.426 120.400 -0.017 0.000 1.979 2971 K HA -0.245 4.074 4.320 -0.002 0.000 0.143 2971 K C 0.313 176.939 176.600 0.043 0.000 1.185 2971 K CA 1.854 58.170 56.287 0.049 0.000 0.336 2971 K CB -1.323 31.255 32.500 0.130 0.000 0.680 2971 K HN 0.931 nan 8.250 nan 0.000 0.783 2972 H N 2.361 121.398 119.070 -0.055 0.000 2.517 2972 H HA 0.294 4.849 4.556 -0.001 0.000 0.282 2972 H C -0.035 175.254 175.328 -0.065 0.000 1.023 2972 H CA 0.032 56.041 56.048 -0.064 0.000 1.169 2972 H CB 0.166 29.890 29.762 -0.064 0.000 1.454 2972 H HN 0.185 nan 8.280 nan 0.000 0.556 2973 R N 1.205 121.457 120.500 -0.413 0.000 2.664 2973 R HA 0.633 4.972 4.340 -0.002 0.000 0.286 2973 R C -0.158 176.031 176.300 -0.185 0.000 0.967 2973 R CA -0.829 55.073 56.100 -0.331 0.000 0.933 2973 R CB 2.475 32.551 30.300 -0.373 0.000 1.146 2973 R HN 0.276 nan 8.270 nan 0.000 0.468 2974 I N -2.055 118.451 120.570 -0.105 0.000 2.969 2974 I HA 0.713 4.881 4.170 -0.002 0.000 0.307 2974 I C -1.072 175.089 176.117 0.073 0.000 1.149 2974 I CA -1.245 60.064 61.300 0.015 0.000 1.008 2974 I CB 2.522 40.528 38.000 0.009 0.000 1.232 2974 I HN 0.206 nan 8.210 nan 0.000 0.435 2975 V N 4.352 124.365 119.914 0.165 0.000 2.733 2975 V HA 0.482 4.601 4.120 -0.002 0.000 0.306 2975 V C -1.026 175.141 176.094 0.121 0.000 1.084 2975 V CA -0.461 61.909 62.300 0.117 0.000 0.905 2975 V CB 2.000 33.865 31.823 0.069 0.000 1.010 2975 V HN 0.658 nan 8.190 nan 0.000 0.424 2976 L N 4.304 125.577 121.223 0.084 0.000 2.325 2976 L HA 0.857 5.196 4.340 -0.002 0.000 0.281 2976 L C -0.193 176.642 176.870 -0.058 0.000 1.004 2976 L CA 0.488 55.323 54.840 -0.009 0.000 0.823 2976 L CB 2.033 44.128 42.059 0.060 0.000 1.236 2976 L HN 0.734 nan 8.230 nan 0.000 0.415 2977 T N 4.686 119.169 114.554 -0.118 0.000 2.809 2977 T HA 0.662 5.011 4.350 -0.002 0.000 0.284 2977 T C -0.919 173.641 174.700 -0.233 0.000 0.992 2977 T CA -0.402 61.602 62.100 -0.159 0.000 0.957 2977 T CB 1.432 70.240 68.868 -0.100 0.000 0.942 2977 T HN 0.338 nan 8.240 nan 0.000 0.439 2978 V N 3.401 123.059 119.914 -0.426 0.000 2.483 2978 V HA 0.343 4.462 4.120 -0.002 0.000 0.297 2978 V C -0.180 175.712 176.094 -0.336 0.000 1.027 2978 V CA -0.878 61.163 62.300 -0.432 0.000 0.855 2978 V CB 1.527 32.904 31.823 -0.744 0.000 0.995 2978 V HN 0.975 nan 8.190 nan 0.000 0.424 2979 D N 4.124 124.444 120.400 -0.133 0.000 2.772 2979 D HA -0.197 4.442 4.640 -0.002 0.000 0.233 2979 D C 1.344 177.607 176.300 -0.062 0.000 1.143 2979 D CA 1.820 55.789 54.000 -0.052 0.000 0.700 2979 D CB -1.078 39.746 40.800 0.040 0.000 1.076 2979 D HN 1.468 nan 8.370 nan 0.000 0.430 2980 G N -0.771 107.977 108.800 -0.087 0.000 2.179 2980 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.260 2980 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.260 2980 G C 0.093 174.957 174.900 -0.059 0.000 0.977 2980 G CA 0.241 45.304 45.100 -0.062 0.000 0.641 2980 G HN 0.431 nan 8.290 nan 0.000 0.533 2981 N N 1.112 119.750 118.700 -0.103 0.000 2.422 2981 N HA 0.535 5.274 4.740 -0.002 0.000 0.266 2981 N C -0.451 175.001 175.510 -0.096 0.000 1.007 2981 N CA 0.052 53.070 53.050 -0.054 0.000 0.941 2981 N CB 1.643 40.158 38.487 0.047 0.000 1.115 2981 N HN 0.184 nan 8.380 nan 0.000 0.492 2982 S N 0.772 116.463 115.700 -0.015 0.000 2.565 2982 S HA 0.630 5.099 4.470 -0.002 0.000 0.290 2982 S C 0.028 174.661 174.600 0.056 0.000 1.150 2982 S CA -0.661 57.538 58.200 -0.001 0.000 1.058 2982 S CB 1.665 64.867 63.200 0.003 0.000 1.032 2982 S HN 0.212 nan 8.310 nan 0.000 0.510 2983 V N 3.350 123.305 119.914 0.068 0.000 2.841 2983 V HA 0.654 4.773 4.120 -0.002 0.000 0.310 2983 V C -0.339 175.799 176.094 0.073 0.000 1.090 2983 V CA -0.925 61.430 62.300 0.092 0.000 0.930 2983 V CB 2.093 34.003 31.823 0.145 0.000 1.014 2983 V HN 0.977 nan 8.190 nan 0.000 0.425 2984 R N 2.994 123.527 120.500 0.055 0.000 2.888 2984 R HA 1.007 5.346 4.340 -0.002 0.000 0.264 2984 R C -1.023 175.293 176.300 0.026 0.000 1.045 2984 R CA -0.823 55.302 56.100 0.041 0.000 0.962 2984 R CB 2.522 32.834 30.300 0.020 0.000 1.210 2984 R HN 0.917 nan 8.270 nan 0.000 0.479 2985 A N 0.510 123.334 122.820 0.007 0.000 2.608 2985 A HA 0.563 4.882 4.320 -0.002 0.000 0.292 2985 A C -1.734 175.824 177.584 -0.044 0.000 1.066 2985 A CA -0.807 51.224 52.037 -0.011 0.000 0.676 2985 A CB 1.945 20.944 19.000 -0.002 0.000 1.277 2985 A HN 0.940 nan 8.150 nan 0.000 0.413 2986 E N 0.044 120.219 120.200 -0.042 0.000 2.372 2986 E HA 0.581 4.930 4.350 -0.002 0.000 0.279 2986 E C -0.770 175.832 176.600 0.003 0.000 0.946 2986 E CA -0.536 55.831 56.400 -0.056 0.000 0.769 2986 E CB 1.637 31.279 29.700 -0.096 0.000 1.230 2986 E HN 0.750 nan 8.360 nan 0.000 0.442 2987 S N 1.847 117.582 115.700 0.058 0.000 2.564 2987 S HA 0.205 4.674 4.470 -0.002 0.000 0.278 2987 S C -1.311 173.296 174.600 0.012 0.000 1.333 2987 S CA -1.089 57.139 58.200 0.046 0.000 1.048 2987 S CB 0.624 63.871 63.200 0.079 0.000 0.900 2987 S HN 0.579 nan 8.310 nan 0.000 0.505 2988 P HA 0.009 nan 4.420 nan 0.000 0.231 2988 P C -0.353 176.778 177.300 -0.282 0.000 1.168 2988 P CA 0.649 63.608 63.100 -0.235 0.000 0.779 2988 P CB -0.072 31.424 31.700 -0.340 0.000 0.844 2989 H N 0.973 120.027 119.070 -0.026 0.000 2.821 2989 H HA 0.147 4.702 4.556 -0.002 0.000 0.262 2989 H C 1.285 176.469 175.328 -0.240 0.000 1.402 2989 H CA 0.341 56.347 56.048 -0.070 0.000 1.293 2989 H CB -0.016 29.689 29.762 -0.096 0.000 1.533 2989 H HN 0.103 nan 8.280 nan 0.000 0.528 2990 T N -1.820 112.638 114.554 -0.159 0.000 3.051 2990 T HA -0.173 4.176 4.350 -0.002 0.000 0.269 2990 T C 1.573 176.079 174.700 -0.323 0.000 1.127 2990 T CA 0.869 62.691 62.100 -0.462 0.000 1.107 2990 T CB -0.333 68.306 68.868 -0.381 0.000 0.898 2990 T HN 0.692 nan 8.240 nan 0.000 0.517 2991 H N -0.303 118.697 119.070 -0.118 0.000 2.529 2991 H HA 0.266 4.821 4.556 -0.001 0.000 0.277 2991 H C 0.605 175.900 175.328 -0.055 0.000 0.999 2991 H CA 0.428 56.431 56.048 -0.076 0.000 1.256 2991 H CB -0.096 29.642 29.762 -0.041 0.000 1.402 2991 H HN 0.365 nan 8.280 nan 0.000 0.566 2992 S N 1.595 116.921 115.700 -0.623 0.000 2.466 2992 S HA 0.208 4.677 4.470 -0.002 0.000 0.313 2992 S C 0.878 175.387 174.600 -0.151 0.000 1.078 2992 S CA -0.170 57.812 58.200 -0.363 0.000 1.115 2992 S CB 0.276 63.209 63.200 -0.446 0.000 1.006 2992 S HN 0.632 nan 8.310 nan 0.000 0.487 2993 T N 0.079 114.595 114.554 -0.063 0.000 2.975 2993 T HA 0.292 4.641 4.350 -0.002 0.000 0.257 2993 T C 0.571 175.281 174.700 0.016 0.000 1.003 2993 T CA -0.254 61.854 62.100 0.013 0.000 0.932 2993 T CB 0.307 69.202 68.868 0.045 0.000 1.087 2993 T HN 0.405 nan 8.240 nan 0.000 0.512 2994 S N 1.129 116.829 115.700 0.000 0.000 2.451 2994 S HA 0.717 5.186 4.470 -0.002 0.000 0.301 2994 S C -0.249 174.351 174.600 -0.001 0.000 1.116 2994 S CA -0.608 57.595 58.200 0.005 0.000 1.093 2994 S CB 0.891 64.093 63.200 0.003 0.000 1.017 2994 S HN 0.612 nan 8.310 nan 0.000 0.482 2995 A N 4.294 127.119 122.820 0.008 0.000 2.621 2995 A HA 0.331 4.650 4.320 -0.002 0.000 0.329 2995 A C -0.034 177.554 177.584 0.008 0.000 1.458 2995 A CA -0.608 51.434 52.037 0.009 0.000 1.052 2995 A CB -0.147 18.869 19.000 0.026 0.000 1.142 2995 A HN 0.861 nan 8.150 nan 0.000 0.523 2996 D N 3.613 124.012 120.400 -0.002 0.000 2.671 2996 D HA 0.051 4.690 4.640 -0.002 0.000 0.228 2996 D C 0.758 177.056 176.300 -0.003 0.000 1.102 2996 D CA 0.546 54.542 54.000 -0.007 0.000 1.044 2996 D CB 0.175 40.970 40.800 -0.009 0.000 1.113 2996 D HN 0.646 nan 8.370 nan 0.000 0.480 2997 T N -1.640 112.917 114.554 0.005 0.000 2.897 2997 T HA 0.323 4.672 4.350 -0.002 0.000 0.278 2997 T C 0.342 175.045 174.700 0.004 0.000 0.981 2997 T CA -0.931 61.181 62.100 0.020 0.000 0.973 2997 T CB 2.215 71.120 68.868 0.061 0.000 1.092 2997 T HN 0.239 nan 8.240 nan 0.000 0.543 2998 N N 0.303 119.017 118.700 0.024 0.000 2.820 2998 N HA 0.172 4.911 4.740 -0.002 0.000 0.209 2998 N C -2.047 173.490 175.510 0.045 0.000 1.406 2998 N CA -0.303 52.755 53.050 0.013 0.000 0.916 2998 N CB 0.431 38.917 38.487 -0.003 0.000 1.532 2998 N HN 0.715 nan 8.380 nan 0.000 0.559 2999 D N 0.092 120.544 120.400 0.087 0.000 2.579 2999 D HA 0.457 5.096 4.640 -0.002 0.000 0.257 2999 D C -2.764 173.618 176.300 0.137 0.000 1.176 2999 D CA -1.236 52.829 54.000 0.108 0.000 0.914 2999 D CB 1.950 42.820 40.800 0.116 0.000 1.431 2999 D HN 0.028 nan 8.370 nan 0.000 0.454 3000 P HA 0.194 nan 4.420 nan 0.000 0.270 3000 P C -0.638 176.641 177.300 -0.035 0.000 1.223 3000 P CA -0.050 63.086 63.100 0.061 0.000 0.785 3000 P CB 0.562 32.292 31.700 0.051 0.000 0.923 3001 I N 2.115 122.622 120.570 -0.104 0.000 2.312 3001 I HA 0.226 4.395 4.170 -0.002 0.000 0.290 3001 I C -0.312 175.669 176.117 -0.227 0.000 1.008 3001 I CA -0.485 60.755 61.300 -0.101 0.000 1.226 3001 I CB 0.285 38.220 38.000 -0.109 0.000 1.371 3001 I HN 0.284 nan 8.210 nan 0.000 0.468 3002 Y N 5.434 125.743 120.300 0.015 0.000 2.326 3002 Y HA 0.459 5.007 4.550 -0.002 0.000 0.337 3002 Y C 0.065 176.001 175.900 0.061 0.000 1.023 3002 Y CA -0.646 57.474 58.100 0.033 0.000 1.143 3002 Y CB 1.554 40.015 38.460 0.001 0.000 1.183 3002 Y HN 0.185 nan 8.280 nan 0.000 0.485 3003 V N 2.437 122.492 119.914 0.234 0.000 2.448 3003 V HA 0.583 4.702 4.120 -0.002 0.000 0.295 3003 V C 0.614 176.893 176.094 0.307 0.000 1.025 3003 V CA -0.200 62.214 62.300 0.189 0.000 0.859 3003 V CB 1.028 32.954 31.823 0.172 0.000 0.988 3003 V HN 1.032 nan 8.190 nan 0.000 0.431 3004 G N 3.139 111.997 108.800 0.098 0.000 2.176 3004 G HA2 0.150 4.109 3.960 -0.002 0.000 0.253 3004 G HA3 0.150 4.109 3.960 -0.002 0.000 0.253 3004 G C 0.660 175.707 174.900 0.245 0.000 0.979 3004 G CA 0.074 45.239 45.100 0.108 0.000 0.641 3004 G HN 2.105 nan 8.290 nan 0.000 0.530 3005 G N -1.447 107.515 108.800 0.270 0.000 2.352 3005 G HA2 0.710 4.669 3.960 -0.002 0.000 0.283 3005 G HA3 0.710 4.669 3.960 -0.002 0.000 0.283 3005 G C -0.941 174.088 174.900 0.215 0.000 1.308 3005 G CA 0.142 45.361 45.100 0.199 0.000 0.892 3005 G HN 1.969 nan 8.290 nan 0.000 0.504 3006 Y N -2.554 117.643 120.300 -0.171 0.000 2.573 3006 Y HA 0.716 5.265 4.550 -0.002 0.000 0.328 3006 Y C -2.816 172.709 175.900 -0.626 0.000 1.170 3006 Y CA -2.171 55.506 58.100 -0.705 0.000 1.078 3006 Y CB 0.900 38.896 38.460 -0.774 0.000 1.341 3006 Y HN 0.629 nan 8.280 nan 0.000 0.459 3007 P HA 0.152 nan 4.420 nan 0.000 0.271 3007 P C 0.505 177.686 177.300 -0.199 0.000 1.216 3007 P CA 0.460 63.374 63.100 -0.309 0.000 0.776 3007 P CB 1.629 33.203 31.700 -0.210 0.000 0.881 3008 A N 3.104 125.906 122.820 -0.030 0.000 2.084 3008 A HA -0.213 4.106 4.320 -0.002 0.000 0.221 3008 A C 1.732 179.357 177.584 0.068 0.000 1.161 3008 A CA 1.560 53.608 52.037 0.018 0.000 0.653 3008 A CB -1.396 17.633 19.000 0.048 0.000 0.802 3008 A HN 0.799 nan 8.150 nan 0.000 0.457 3009 H N -2.000 117.071 119.070 0.001 0.000 2.539 3009 H HA 0.293 4.848 4.556 -0.002 0.000 0.267 3009 H C -0.113 175.212 175.328 -0.005 0.000 0.982 3009 H CA -0.309 55.743 56.048 0.008 0.000 1.146 3009 H CB -0.342 29.432 29.762 0.020 0.000 1.382 3009 H HN 0.265 nan 8.280 nan 0.000 0.577 3010 I N 2.281 122.636 120.570 -0.359 0.000 2.354 3010 I HA 0.196 4.365 4.170 -0.002 0.000 0.292 3010 I C 0.483 176.465 176.117 -0.224 0.000 0.989 3010 I CA -0.984 60.114 61.300 -0.336 0.000 1.188 3010 I CB 1.950 39.611 38.000 -0.565 0.000 1.342 3010 I HN 0.067 nan 8.210 nan 0.000 0.457 3011 K N 5.889 126.184 120.400 -0.174 0.000 2.270 3011 K HA 0.192 4.511 4.320 -0.002 0.000 0.276 3011 K C -0.525 175.904 176.600 -0.286 0.000 1.023 3011 K CA -0.256 55.929 56.287 -0.170 0.000 0.955 3011 K CB 0.756 33.198 32.500 -0.095 0.000 0.975 3011 K HN 0.436 nan 8.250 nan 0.000 0.471 3012 Q N 3.402 122.998 119.800 -0.340 0.000 2.891 3012 Q HA 0.060 4.399 4.340 -0.002 0.000 0.242 3012 Q C -0.495 175.367 176.000 -0.229 0.000 0.959 3012 Q CA -0.251 55.313 55.803 -0.398 0.000 0.707 3012 Q CB 1.234 29.471 28.738 -0.834 0.000 1.283 3012 Q HN 0.687 nan 8.270 nan 0.000 0.480 3013 N N 0.079 118.689 118.700 -0.150 0.000 2.573 3013 N HA -0.050 4.689 4.740 -0.002 0.000 0.187 3013 N C 0.243 175.684 175.510 -0.115 0.000 1.107 3013 N CA 0.762 53.745 53.050 -0.111 0.000 0.918 3013 N CB 0.460 38.898 38.487 -0.081 0.000 0.966 3013 N HN 0.090 nan 8.380 nan 0.000 0.448 3014 S N -0.453 115.183 115.700 -0.108 0.000 2.624 3014 S HA 0.366 4.835 4.470 -0.002 0.000 0.246 3014 S C -0.584 174.003 174.600 -0.022 0.000 1.072 3014 S CA -0.420 57.733 58.200 -0.080 0.000 1.045 3014 S CB 0.425 63.614 63.200 -0.018 0.000 0.851 3014 S HN 0.131 nan 8.310 nan 0.000 0.480 3015 L N 1.467 122.644 121.223 -0.076 0.000 2.438 3015 L HA 0.396 4.735 4.340 -0.002 0.000 0.270 3015 L C 0.938 177.794 176.870 -0.024 0.000 0.972 3015 L CA -0.402 54.453 54.840 0.026 0.000 0.831 3015 L CB 2.186 44.255 42.059 0.017 0.000 1.273 3015 L HN 0.233 nan 8.230 nan 0.000 0.405 3016 S N -0.482 115.222 115.700 0.005 0.000 2.503 3016 S HA 0.059 4.528 4.470 -0.002 0.000 0.217 3016 S C 0.744 175.378 174.600 0.058 0.000 0.999 3016 S CA -0.029 58.168 58.200 -0.006 0.000 0.914 3016 S CB 0.432 63.623 63.200 -0.016 0.000 0.782 3016 S HN 0.517 nan 8.310 nan 0.000 0.520 3017 S N 0.656 116.419 115.700 0.106 0.000 2.690 3017 S HA 0.603 5.072 4.470 -0.002 0.000 0.291 3017 S C 0.297 174.978 174.600 0.136 0.000 1.138 3017 S CA -0.881 57.377 58.200 0.097 0.000 1.013 3017 S CB 1.727 64.978 63.200 0.085 0.000 1.053 3017 S HN 0.450 nan 8.310 nan 0.000 0.539 3018 R N 0.762 121.279 120.500 0.028 0.000 2.531 3018 R HA 0.400 4.739 4.340 -0.002 0.000 0.316 3018 R C 0.110 176.302 176.300 -0.180 0.000 0.955 3018 R CA -0.017 56.001 56.100 -0.136 0.000 1.120 3018 R CB 0.140 30.369 30.300 -0.119 0.000 1.361 3018 R HN 0.675 nan 8.270 nan 0.000 0.534 3019 A N 1.273 124.056 122.820 -0.061 0.000 2.524 3019 A HA 0.263 4.582 4.320 -0.002 0.000 0.250 3019 A C -0.101 177.470 177.584 -0.022 0.000 1.078 3019 A CA 0.208 52.222 52.037 -0.039 0.000 0.761 3019 A CB 0.508 19.504 19.000 -0.007 0.000 1.012 3019 A HN 0.294 nan 8.150 nan 0.000 0.500 3020 S N 1.530 117.220 115.700 -0.017 0.000 2.548 3020 S HA 0.346 4.815 4.470 -0.002 0.000 0.277 3020 S C -0.037 174.608 174.600 0.076 0.000 1.315 3020 S CA -0.186 58.043 58.200 0.048 0.000 1.050 3020 S CB 0.102 63.336 63.200 0.056 0.000 0.918 3020 S HN 0.558 nan 8.310 nan 0.000 0.497 3021 F N 3.820 123.741 119.950 -0.049 0.000 2.506 3021 F HA 0.316 4.842 4.527 -0.002 0.000 0.351 3021 F C 0.621 176.375 175.800 -0.078 0.000 1.136 3021 F CA -0.091 57.836 58.000 -0.121 0.000 1.298 3021 F CB 0.455 39.284 39.000 -0.285 0.000 1.145 3021 F HN 0.450 nan 8.300 nan 0.000 0.593 3022 R N 4.237 124.130 120.500 -1.011 0.000 2.483 3022 R HA 0.617 4.956 4.340 -0.002 0.000 0.303 3022 R C -0.504 175.152 176.300 -1.072 0.000 0.987 3022 R CA 0.066 55.707 56.100 -0.765 0.000 0.881 3022 R CB 0.969 31.046 30.300 -0.372 0.000 1.177 3022 R HN 1.037 nan 8.270 nan 0.000 0.451 3023 G N 1.842 110.229 108.800 -0.687 0.000 2.334 3023 G HA2 0.057 4.016 3.960 -0.002 0.000 0.249 3023 G HA3 0.057 4.016 3.960 -0.002 0.000 0.249 3023 G C -1.498 173.540 174.900 0.231 0.000 1.327 3023 G CA -0.486 44.474 45.100 -0.233 0.000 0.979 3023 G HN 0.671 nan 8.290 nan 0.000 0.471 3024 c N -0.834 117.975 118.600 0.347 0.000 2.779 3024 c HA 0.907 5.476 4.570 -0.002 0.000 0.314 3024 c C 0.053 174.477 174.090 0.558 0.000 1.231 3024 c CA -0.554 56.091 56.329 0.526 0.000 1.652 3024 c CB 1.285 44.058 42.510 0.439 0.000 2.198 3024 c HN 0.767 nan 8.230 nan 0.000 0.483 3025 V N 2.383 122.678 119.914 0.635 0.000 2.789 3025 V HA 0.755 4.874 4.120 -0.002 0.000 0.311 3025 V C -0.421 175.950 176.094 0.462 0.000 1.073 3025 V CA -0.556 62.044 62.300 0.500 0.000 0.921 3025 V CB 1.987 33.924 31.823 0.190 0.000 1.009 3025 V HN 1.028 nan 8.190 nan 0.000 0.426 3026 R N 2.299 122.986 120.500 0.313 0.000 2.774 3026 R HA 0.576 4.915 4.340 -0.002 0.000 0.272 3026 R C -0.524 175.778 176.300 0.004 0.000 1.000 3026 R CA -0.808 55.334 56.100 0.071 0.000 0.906 3026 R CB 1.169 31.337 30.300 -0.221 0.000 1.227 3026 R HN 0.523 nan 8.270 nan 0.000 0.468 3027 N N 0.286 118.974 118.700 -0.020 0.000 2.725 3027 N HA -0.187 4.552 4.740 -0.002 0.000 0.251 3027 N C -0.839 174.665 175.510 -0.011 0.000 1.031 3027 N CA 0.783 53.815 53.050 -0.030 0.000 0.720 3027 N CB -0.876 37.564 38.487 -0.078 0.000 0.930 3027 N HN 0.565 nan 8.380 nan 0.000 0.543 3028 L N 0.689 121.919 121.223 0.013 0.000 2.313 3028 L HA 0.287 4.626 4.340 -0.002 0.000 0.282 3028 L C 0.447 177.306 176.870 -0.017 0.000 1.092 3028 L CA 0.324 55.164 54.840 -0.000 0.000 0.831 3028 L CB 0.369 42.438 42.059 0.016 0.000 1.159 3028 L HN 0.101 nan 8.230 nan 0.000 0.442 3029 R N 4.520 124.998 120.500 -0.037 0.000 2.744 3029 R HA 0.680 5.019 4.340 -0.002 0.000 0.279 3029 R C -1.707 174.557 176.300 -0.060 0.000 0.977 3029 R CA -1.091 54.983 56.100 -0.043 0.000 0.906 3029 R CB 2.179 32.454 30.300 -0.041 0.000 1.197 3029 R HN 0.528 nan 8.270 nan 0.000 0.463 3030 L N 0.481 121.668 121.223 -0.060 0.000 2.381 3030 L HA 0.572 4.911 4.340 -0.002 0.000 0.268 3030 L C -1.108 175.743 176.870 -0.033 0.000 0.997 3030 L CA -0.053 54.745 54.840 -0.071 0.000 0.818 3030 L CB 2.428 44.410 42.059 -0.129 0.000 1.310 3030 L HN 0.591 nan 8.230 nan 0.000 0.416 3031 S N 3.175 118.866 115.700 -0.014 0.000 2.540 3031 S HA 0.607 5.076 4.470 -0.002 0.000 0.275 3031 S C -1.116 173.520 174.600 0.060 0.000 1.123 3031 S CA -0.730 57.476 58.200 0.010 0.000 0.907 3031 S CB 2.140 65.319 63.200 -0.035 0.000 1.081 3031 S HN 0.549 nan 8.310 nan 0.000 0.476 3032 R N 1.652 122.200 120.500 0.080 0.000 2.352 3032 R HA 0.517 4.856 4.340 -0.002 0.000 0.304 3032 R C 0.820 177.158 176.300 0.064 0.000 1.104 3032 R CA 0.522 56.683 56.100 0.103 0.000 0.991 3032 R CB 0.017 30.391 30.300 0.124 0.000 1.140 3032 R HN 1.044 nan 8.270 nan 0.000 0.540 3033 G N 2.068 110.904 108.800 0.060 0.000 2.565 3033 G HA2 -0.451 3.508 3.960 -0.002 0.000 0.295 3033 G HA3 -0.451 3.508 3.960 -0.002 0.000 0.295 3033 G C 0.690 175.599 174.900 0.016 0.000 1.165 3033 G CA 0.670 45.797 45.100 0.045 0.000 0.977 3033 G HN 0.690 nan 8.290 nan 0.000 0.546 3034 S N 0.323 116.033 115.700 0.016 0.000 2.470 3034 S HA 0.182 4.651 4.470 -0.002 0.000 0.225 3034 S C 1.077 175.680 174.600 0.006 0.000 1.006 3034 S CA 1.368 59.571 58.200 0.006 0.000 0.934 3034 S CB -0.002 63.202 63.200 0.007 0.000 0.778 3034 S HN 0.782 nan 8.310 nan 0.000 0.517 3035 Q N 1.630 121.440 119.800 0.017 0.000 2.286 3035 Q HA 0.437 4.776 4.340 -0.002 0.000 0.267 3035 Q C -1.140 174.872 176.000 0.019 0.000 1.028 3035 Q CA -0.119 55.697 55.803 0.022 0.000 0.901 3035 Q CB 1.068 29.827 28.738 0.036 0.000 1.183 3035 Q HN 0.226 nan 8.270 nan 0.000 0.392 3036 V N 3.444 123.363 119.914 0.009 0.000 2.735 3036 V HA 0.494 4.613 4.120 -0.002 0.000 0.310 3036 V C -0.425 175.670 176.094 0.002 0.000 1.061 3036 V CA -0.830 61.470 62.300 -0.001 0.000 0.913 3036 V CB 1.925 33.739 31.823 -0.016 0.000 1.005 3036 V HN 0.787 nan 8.190 nan 0.000 0.428 3037 Q N 1.902 121.700 119.800 -0.003 0.000 2.352 3037 Q HA 0.445 4.784 4.340 -0.002 0.000 0.270 3037 Q C -1.578 174.416 176.000 -0.011 0.000 1.006 3037 Q CA -0.507 55.295 55.803 -0.002 0.000 0.880 3037 Q CB 1.949 30.693 28.738 0.011 0.000 1.392 3037 Q HN 0.522 nan 8.270 nan 0.000 0.401 3038 S N 2.569 118.265 115.700 -0.006 0.000 2.548 3038 S HA 0.418 4.887 4.470 -0.002 0.000 0.277 3038 S C 0.286 174.887 174.600 0.001 0.000 1.315 3038 S CA -0.567 57.630 58.200 -0.004 0.000 1.050 3038 S CB 0.305 63.509 63.200 0.006 0.000 0.918 3038 S HN 0.471 nan 8.310 nan 0.000 0.497 3039 L N 3.243 124.464 121.223 -0.003 0.000 2.268 3039 L HA 0.263 4.602 4.340 -0.002 0.000 0.289 3039 L C 0.256 177.138 176.870 0.021 0.000 1.064 3039 L CA -0.511 54.327 54.840 -0.002 0.000 0.824 3039 L CB 0.385 42.430 42.059 -0.023 0.000 1.202 3039 L HN 0.549 nan 8.230 nan 0.000 0.433 3040 D N 4.086 124.507 120.400 0.034 0.000 2.365 3040 D HA 0.115 4.754 4.640 -0.002 0.000 0.237 3040 D C 1.025 177.343 176.300 0.030 0.000 1.190 3040 D CA -0.128 53.909 54.000 0.062 0.000 0.867 3040 D CB 1.291 42.144 40.800 0.088 0.000 1.050 3040 D HN 0.425 nan 8.370 nan 0.000 0.491 3041 L N 2.825 124.035 121.223 -0.021 0.000 2.353 3041 L HA -0.161 4.178 4.340 -0.002 0.000 0.220 3041 L C 2.298 179.134 176.870 -0.057 0.000 1.133 3041 L CA 0.850 55.655 54.840 -0.057 0.000 0.798 3041 L CB -0.402 41.600 42.059 -0.095 0.000 0.922 3041 L HN 0.386 nan 8.230 nan 0.000 0.445 3042 S N -0.540 115.159 115.700 -0.001 0.000 2.555 3042 S HA -0.085 4.384 4.470 -0.002 0.000 0.230 3042 S C 1.796 176.437 174.600 0.070 0.000 0.978 3042 S CA 0.346 58.589 58.200 0.071 0.000 0.934 3042 S CB -0.194 63.145 63.200 0.233 0.000 0.766 3042 S HN 0.445 nan 8.310 nan 0.000 0.533 3043 R N 1.006 121.540 120.500 0.056 0.000 2.334 3043 R HA 0.405 4.744 4.340 -0.002 0.000 0.216 3043 R C 0.667 177.002 176.300 0.058 0.000 0.905 3043 R CA 0.303 56.442 56.100 0.064 0.000 1.064 3043 R CB 0.018 30.358 30.300 0.065 0.000 1.046 3043 R HN 0.479 nan 8.270 nan 0.000 0.508 3044 A N 1.346 124.167 122.820 0.001 0.000 2.531 3044 A HA -0.035 4.284 4.320 -0.002 0.000 0.236 3044 A C 0.751 178.322 177.584 -0.021 0.000 1.062 3044 A CA 0.020 52.016 52.037 -0.069 0.000 0.760 3044 A CB -0.162 18.745 19.000 -0.156 0.000 0.995 3044 A HN 0.462 nan 8.150 nan 0.000 0.501 3045 F N -0.207 119.749 119.950 0.010 0.000 2.797 3045 F HA 0.388 4.914 4.527 -0.002 0.000 0.302 3045 F C 0.190 176.015 175.800 0.041 0.000 1.130 3045 F CA -0.130 57.886 58.000 0.026 0.000 1.387 3045 F CB 0.187 39.203 39.000 0.025 0.000 1.107 3045 F HN 0.387 nan 8.300 nan 0.000 0.577 3046 D N 1.084 121.259 120.400 -0.375 0.000 2.452 3046 D HA 0.336 4.975 4.640 -0.002 0.000 0.226 3046 D C -1.657 174.492 176.300 -0.251 0.000 1.366 3046 D CA -0.142 53.735 54.000 -0.205 0.000 0.986 3046 D CB 1.073 41.787 40.800 -0.143 0.000 1.420 3046 D HN 0.184 nan 8.370 nan 0.000 0.583 3047 L N 3.201 124.286 121.223 -0.231 0.000 2.313 3047 L HA 0.528 4.867 4.340 -0.002 0.000 0.283 3047 L C -0.578 176.053 176.870 -0.398 0.000 1.013 3047 L CA -0.575 54.069 54.840 -0.326 0.000 0.816 3047 L CB 1.660 43.555 42.059 -0.275 0.000 1.236 3047 L HN 0.277 nan 8.230 nan 0.000 0.419 3048 Q N 3.010 122.474 119.800 -0.560 0.000 2.337 3048 Q HA 0.300 4.639 4.340 -0.002 0.000 0.260 3048 Q C 0.477 176.212 176.000 -0.443 0.000 0.982 3048 Q CA -0.154 55.347 55.803 -0.502 0.000 0.734 3048 Q CB 2.053 30.406 28.738 -0.642 0.000 1.272 3048 Q HN 0.894 nan 8.270 nan 0.000 0.461 3049 G N 1.484 110.040 108.800 -0.406 0.000 2.198 3049 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.260 3049 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.260 3049 G C -0.169 174.389 174.900 -0.570 0.000 1.025 3049 G CA 0.435 45.338 45.100 -0.328 0.000 0.769 3049 G HN 0.384 nan 8.290 nan 0.000 0.507 3050 V N -0.346 118.972 119.914 -0.993 0.000 2.709 3050 V HA 0.752 4.871 4.120 -0.002 0.000 0.308 3050 V C -0.585 174.819 176.094 -1.150 0.000 1.062 3050 V CA -0.887 60.829 62.300 -0.975 0.000 0.901 3050 V CB 1.824 33.144 31.823 -0.839 0.000 1.003 3050 V HN 0.246 nan 8.190 nan 0.000 0.425 3051 F N 5.290 125.133 119.950 -0.178 0.000 2.564 3051 F HA 0.416 4.942 4.527 -0.002 0.000 0.361 3051 F C -2.243 173.547 175.800 -0.016 0.000 1.161 3051 F CA -2.681 55.309 58.000 -0.018 0.000 1.198 3051 F CB 1.177 40.264 39.000 0.146 0.000 1.424 3051 F HN 0.261 nan 8.300 nan 0.000 0.517 3052 P HA -0.096 nan 4.420 nan 0.000 0.260 3052 P C 0.146 177.436 177.300 -0.017 0.000 1.172 3052 P CA 1.031 64.042 63.100 -0.149 0.000 0.760 3052 P CB 0.244 31.817 31.700 -0.212 0.000 0.773 3053 H N -1.471 117.715 119.070 0.193 0.000 3.641 3053 H HA -0.139 4.415 4.556 -0.002 0.000 0.193 3053 H C 0.124 175.607 175.328 0.259 0.000 1.013 3053 H CA 1.319 57.492 56.048 0.207 0.000 1.212 3053 H CB -1.871 28.000 29.762 0.181 0.000 1.089 3053 H HN 0.495 nan 8.280 nan 0.000 0.339 3054 S N 0.363 116.287 115.700 0.373 0.000 2.594 3054 S HA 0.509 4.978 4.470 -0.002 0.000 0.322 3054 S C -0.210 174.674 174.600 0.473 0.000 1.085 3054 S CA -0.071 58.374 58.200 0.409 0.000 1.116 3054 S CB 0.823 64.240 63.200 0.362 0.000 0.979 3054 S HN 0.462 nan 8.310 nan 0.000 0.465 3055 c N 8.225 127.046 118.600 0.369 0.000 2.431 3055 c HA 0.752 5.321 4.570 -0.002 0.000 0.321 3055 c C -2.712 171.297 174.090 -0.135 0.000 1.202 3055 c CA -2.167 54.283 56.329 0.201 0.000 1.398 3055 c CB 1.412 44.113 42.510 0.318 0.000 2.047 3055 c HN 0.699 nan 8.230 nan 0.000 0.465 3056 P HA 0.282 nan 4.420 nan 0.000 0.268 3056 P C 0.133 177.235 177.300 -0.331 0.000 1.204 3056 P CA 0.802 63.353 63.100 -0.915 0.000 0.768 3056 P CB 0.966 31.804 31.700 -1.437 0.000 0.842 3057 G N 3.861 112.555 108.800 -0.176 0.000 2.736 3057 G HA2 0.598 4.557 3.960 -0.002 0.000 0.229 3057 G HA3 0.598 4.557 3.960 -0.002 0.000 0.229 3057 G C -2.403 172.456 174.900 -0.069 0.000 1.380 3057 G CA -1.161 43.912 45.100 -0.046 0.000 1.040 3057 G HN 0.395 nan 8.290 nan 0.000 0.568 3058 P HA 0.602 nan 4.420 nan 0.000 0.279 3058 P C -0.874 176.455 177.300 0.048 0.000 1.276 3058 P CA -0.019 63.099 63.100 0.030 0.000 0.801 3058 P CB 2.208 33.925 31.700 0.028 0.000 1.127 3059 E N -1.380 118.866 120.200 0.076 0.000 2.395 3059 E HA 0.697 5.046 4.350 -0.002 0.000 0.273 3059 E C -2.682 173.966 176.600 0.079 0.000 1.206 3059 E CA -0.139 56.323 56.400 0.103 0.000 0.899 3059 E CB 0.314 30.137 29.700 0.205 0.000 1.405 3059 E HN 0.756 nan 8.360 nan 0.000 0.418 3060 P HA 0.000 nan 4.420 nan 0.000 0.216 3060 P CA 0.000 nan 63.100 nan 0.000 0.800 3060 P CB 0.000 nan 31.700 nan 0.000 0.726