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 2h84_1_A DATA FIRST_RESID 2785 DATA SEQUENCE NNSFVLGIGI SVPGEPISQQ SLKDSISNDF SDKAETNEKV KRIFEQSQIK DATA SEQUENCE TRHLVRDYTK PENSIKFRHL ETITDVNNQF KKVVPDLAQQ ACLRALKDWG DATA SEQUENCE GDKGDITHIV SVTSTGIIIP DVNFKLIDLL GLNKDVERVS LNLMGCLAGL DATA SEQUENCE SSLRTAASLA KASPRNRILV VCTEVCSLHF SNTDGGDQMV ASSIFADGSA DATA SEQUENCE AYIIGCNPRI EETPLYEVMC SINRSFPNTE NAMVWDLEKE GWNLGLDASI DATA SEQUENCE PIVIGSGIEA FVDTLLDKAK LQTSTAISAK DCEFLIHTGG KSILMNIENS DATA SEQUENCE LGIDPKQTKN TWDVYHAYGN MSSASVIFVM DHARKSKSLP TYSISLAFGP DATA SEQUENCE GLAFEGCFLK NVV 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 2785 N HA 0.000 nan 4.740 nan 0.000 0.220 2785 N C 0.000 175.569 175.510 0.098 0.000 1.280 2785 N CA 0.000 53.109 53.050 0.099 0.000 0.885 2785 N CB 0.000 38.573 38.487 0.144 0.000 1.341 2786 N N -1.363 117.411 118.700 0.122 0.000 2.381 2786 N HA 0.402 5.164 4.740 0.037 0.000 0.294 2786 N C -0.513 175.050 175.510 0.089 0.000 1.216 2786 N CA -0.561 52.524 53.050 0.059 0.000 0.803 2786 N CB 2.036 40.508 38.487 -0.025 0.000 1.372 2786 N HN 0.369 nan 8.380 nan 0.000 0.500 2787 S N -0.197 115.519 115.700 0.027 0.000 2.559 2787 S HA 0.156 4.648 4.470 0.037 0.000 0.282 2787 S C -1.070 173.492 174.600 -0.065 0.000 1.336 2787 S CA 0.021 58.261 58.200 0.067 0.000 1.037 2787 S CB -0.422 62.789 63.200 0.020 0.000 0.853 2787 S HN 0.404 nan 8.310 nan 0.000 0.523 2788 F N 1.893 121.874 119.950 0.051 0.000 2.578 2788 F HA 0.418 4.966 4.527 0.036 0.000 0.311 2788 F C -0.256 175.590 175.800 0.077 0.000 1.094 2788 F CA -0.892 57.148 58.000 0.068 0.000 0.923 2788 F CB 1.888 40.930 39.000 0.069 0.000 1.230 2788 F HN 0.257 nan 8.300 nan 0.000 0.450 2789 V N 4.880 124.948 119.914 0.258 0.000 2.389 2789 V HA 0.121 4.263 4.120 0.037 0.000 0.264 2789 V C 0.703 176.946 176.094 0.248 0.000 1.049 2789 V CA 0.036 62.463 62.300 0.211 0.000 0.932 2789 V CB 0.687 32.613 31.823 0.172 0.000 1.011 2789 V HN 0.692 nan 8.190 nan 0.000 0.475 2790 L N 4.507 125.856 121.223 0.210 0.000 2.592 2790 L HA 0.501 4.863 4.340 0.037 0.000 0.227 2790 L C 0.983 178.009 176.870 0.261 0.000 1.127 2790 L CA 0.408 55.389 54.840 0.235 0.000 0.884 2790 L CB 0.009 42.224 42.059 0.261 0.000 1.065 2790 L HN 0.786 nan 8.230 nan 0.000 0.457 2791 G N 0.402 109.329 108.800 0.212 0.000 2.473 2791 G HA2 0.548 4.530 3.960 0.037 0.000 0.298 2791 G HA3 0.548 4.530 3.960 0.037 0.000 0.298 2791 G C -1.581 173.428 174.900 0.181 0.000 1.575 2791 G CA -0.494 44.730 45.100 0.207 0.000 0.846 2791 G HN -0.078 nan 8.290 nan 0.000 0.585 2792 I N 0.065 120.719 120.570 0.140 0.000 2.802 2792 I HA 0.811 5.003 4.170 0.037 0.000 0.298 2792 I C 0.258 176.399 176.117 0.040 0.000 1.176 2792 I CA -0.952 60.414 61.300 0.110 0.000 1.025 2792 I CB 2.836 40.889 38.000 0.089 0.000 1.243 2792 I HN 0.888 nan 8.210 nan 0.000 0.424 2793 G N 4.596 113.392 108.800 -0.006 0.000 2.746 2793 G HA2 0.764 4.746 3.960 0.037 0.000 0.297 2793 G HA3 0.764 4.746 3.960 0.037 0.000 0.297 2793 G C -1.265 173.537 174.900 -0.163 0.000 1.426 2793 G CA -0.560 44.502 45.100 -0.064 0.000 0.989 2793 G HN 0.720 nan 8.290 nan 0.000 0.520 2794 I N -1.320 119.089 120.570 -0.269 0.000 3.170 2794 I HA 0.957 5.149 4.170 0.037 0.000 0.312 2794 I C -0.326 175.661 176.117 -0.216 0.000 1.085 2794 I CA -1.277 59.748 61.300 -0.459 0.000 0.999 2794 I CB 2.581 39.905 38.000 -1.126 0.000 1.233 2794 I HN 0.580 nan 8.210 nan 0.000 0.467 2795 S N 1.854 117.493 115.700 -0.103 0.000 2.563 2795 S HA 0.665 5.157 4.470 0.037 0.000 0.279 2795 S C -1.179 173.482 174.600 0.100 0.000 1.155 2795 S CA -0.452 57.751 58.200 0.005 0.000 0.928 2795 S CB 1.380 64.583 63.200 0.005 0.000 1.107 2795 S HN 1.222 nan 8.310 nan 0.000 0.462 2796 V N 1.889 121.831 119.914 0.047 0.000 2.962 2796 V HA 0.880 5.022 4.120 0.037 0.000 0.313 2796 V C -2.763 173.358 176.094 0.046 0.000 1.099 2796 V CA -2.349 59.965 62.300 0.024 0.000 0.971 2796 V CB 1.738 33.443 31.823 -0.196 0.000 1.028 2796 V HN 0.731 nan 8.190 nan 0.000 0.430 2797 P HA 0.411 nan 4.420 nan 0.000 0.282 2797 P C 0.629 178.052 177.300 0.204 0.000 1.262 2797 P CA 1.501 64.675 63.100 0.123 0.000 0.773 2797 P CB 0.907 32.670 31.700 0.105 0.000 0.879 2798 G N 3.975 112.870 108.800 0.158 0.000 2.598 2798 G HA2 -0.216 3.767 3.960 0.037 0.000 0.269 2798 G HA3 -0.216 3.767 3.960 0.037 0.000 0.269 2798 G C -0.364 174.699 174.900 0.272 0.000 1.289 2798 G CA -0.297 44.906 45.100 0.171 0.000 0.926 2798 G HN 0.598 nan 8.290 nan 0.000 0.567 2799 E N 1.022 121.338 120.200 0.194 0.000 2.280 2799 E HA 0.463 4.836 4.350 0.037 0.000 0.261 2799 E C -2.237 174.342 176.600 -0.035 0.000 1.088 2799 E CA -1.661 54.840 56.400 0.168 0.000 0.915 2799 E CB 0.534 30.283 29.700 0.083 0.000 1.141 2799 E HN 0.222 nan 8.360 nan 0.000 0.433 2800 P HA 0.141 nan 4.420 nan 0.000 0.271 2800 P C -0.443 176.706 177.300 -0.252 0.000 1.233 2800 P CA 0.389 63.169 63.100 -0.532 0.000 0.764 2800 P CB 0.211 31.758 31.700 -0.255 0.000 0.825 2801 I N 1.736 122.165 120.570 -0.235 0.000 2.365 2801 I HA 0.122 4.314 4.170 0.037 0.000 0.291 2801 I C 1.025 177.108 176.117 -0.056 0.000 1.004 2801 I CA -0.502 60.751 61.300 -0.078 0.000 1.311 2801 I CB 1.118 39.116 38.000 -0.002 0.000 1.401 2801 I HN 0.286 nan 8.210 nan 0.000 0.491 2802 S N 4.499 120.185 115.700 -0.023 0.000 2.537 2802 S HA -0.020 4.473 4.470 0.037 0.000 0.286 2802 S C 1.028 175.643 174.600 0.024 0.000 1.299 2802 S CA -0.236 57.957 58.200 -0.012 0.000 1.067 2802 S CB 0.769 63.967 63.200 -0.005 0.000 0.864 2802 S HN 0.585 nan 8.310 nan 0.000 0.494 2803 Q N 2.762 122.577 119.800 0.026 0.000 2.224 2803 Q HA -0.088 4.274 4.340 0.037 0.000 0.203 2803 Q C 1.948 178.019 176.000 0.118 0.000 0.970 2803 Q CA 1.307 57.163 55.803 0.090 0.000 0.865 2803 Q CB -0.106 28.662 28.738 0.049 0.000 0.922 2803 Q HN 0.795 nan 8.270 nan 0.000 0.445 2804 Q N -0.271 119.559 119.800 0.050 0.000 2.083 2804 Q HA -0.102 4.260 4.340 0.037 0.000 0.198 2804 Q C 2.079 178.073 176.000 -0.009 0.000 0.969 2804 Q CA 1.710 57.526 55.803 0.022 0.000 0.838 2804 Q CB 0.170 28.910 28.738 0.004 0.000 0.900 2804 Q HN 0.425 nan 8.270 nan 0.000 0.436 2805 S N 0.273 115.974 115.700 0.003 0.000 2.383 2805 S HA -0.073 4.419 4.470 0.037 0.000 0.227 2805 S C 2.047 176.640 174.600 -0.012 0.000 1.026 2805 S CA 0.585 58.782 58.200 -0.005 0.000 0.981 2805 S CB -0.488 62.719 63.200 0.011 0.000 0.818 2805 S HN 0.277 nan 8.310 nan 0.000 0.472 2806 L N 1.360 122.601 121.223 0.029 0.000 2.093 2806 L HA -0.061 4.301 4.340 0.037 0.000 0.208 2806 L C 2.928 179.657 176.870 -0.235 0.000 1.085 2806 L CA 1.459 56.329 54.840 0.050 0.000 0.755 2806 L CB -0.488 41.710 42.059 0.232 0.000 0.904 2806 L HN 0.369 nan 8.230 nan 0.000 0.435 2807 K N 0.480 120.693 120.400 -0.312 0.000 1.978 2807 K HA -0.231 4.111 4.320 0.037 0.000 0.214 2807 K C 1.624 177.915 176.600 -0.514 0.000 1.049 2807 K CA 2.171 57.992 56.287 -0.778 0.000 0.939 2807 K CB -0.226 32.116 32.500 -0.264 0.000 0.721 2807 K HN 0.243 nan 8.250 nan 0.000 0.441 2808 D N 0.523 120.778 120.400 -0.242 0.000 2.156 2808 D HA -0.171 4.492 4.640 0.037 0.000 0.190 2808 D C 2.096 178.307 176.300 -0.148 0.000 0.998 2808 D CA 1.547 55.453 54.000 -0.158 0.000 0.842 2808 D CB -0.707 40.044 40.800 -0.082 0.000 0.974 2808 D HN 0.194 nan 8.370 nan 0.000 0.447 2809 S N 0.790 116.430 115.700 -0.099 0.000 2.414 2809 S HA -0.215 4.277 4.470 0.037 0.000 0.225 2809 S C 2.213 176.789 174.600 -0.041 0.000 1.041 2809 S CA 1.576 59.753 58.200 -0.038 0.000 1.114 2809 S CB -0.640 62.578 63.200 0.030 0.000 1.064 2809 S HN 0.489 nan 8.310 nan 0.000 0.420 2810 I N 1.458 121.989 120.570 -0.064 0.000 2.361 2810 I HA -0.178 4.014 4.170 0.037 0.000 0.251 2810 I C 2.278 178.372 176.117 -0.038 0.000 1.133 2810 I CA 1.910 63.205 61.300 -0.010 0.000 1.413 2810 I CB -0.447 37.566 38.000 0.020 0.000 1.073 2810 I HN 0.422 nan 8.210 nan 0.000 0.424 2811 S N 1.743 117.293 115.700 -0.249 0.000 2.348 2811 S HA -0.191 4.301 4.470 0.037 0.000 0.221 2811 S C 1.830 176.405 174.600 -0.041 0.000 1.033 2811 S CA 1.483 59.563 58.200 -0.200 0.000 1.010 2811 S CB -0.954 62.057 63.200 -0.316 0.000 0.891 2811 S HN 0.586 nan 8.310 nan 0.000 0.442 2812 N N 2.092 120.760 118.700 -0.055 0.000 2.309 2812 N HA -0.045 4.717 4.740 0.037 0.000 0.182 2812 N C 0.762 176.280 175.510 0.014 0.000 1.018 2812 N CA 1.351 54.391 53.050 -0.017 0.000 0.876 2812 N CB -0.451 38.017 38.487 -0.031 0.000 0.972 2812 N HN 0.551 nan 8.380 nan 0.000 0.434 2813 D N -0.362 120.052 120.400 0.024 0.000 2.349 2813 D HA 0.003 4.665 4.640 0.037 0.000 0.215 2813 D C 1.399 177.722 176.300 0.038 0.000 1.016 2813 D CA -0.107 53.895 54.000 0.004 0.000 0.870 2813 D CB -0.231 40.554 40.800 -0.025 0.000 0.917 2813 D HN 0.128 nan 8.370 nan 0.000 0.524 2814 F N 1.591 121.513 119.950 -0.047 0.000 2.202 2814 F HA -0.181 4.366 4.527 0.034 0.000 0.301 2814 F C 1.173 176.958 175.800 -0.025 0.000 1.082 2814 F CA 0.831 58.816 58.000 -0.026 0.000 1.313 2814 F CB 0.335 39.322 39.000 -0.022 0.000 1.024 2814 F HN -0.080 nan 8.300 nan 0.000 0.495 2815 S N -2.559 113.196 115.700 0.091 0.000 2.654 2815 S HA 0.200 4.693 4.470 0.037 0.000 0.267 2815 S C -0.889 173.726 174.600 0.025 0.000 1.151 2815 S CA -0.753 57.462 58.200 0.025 0.000 0.873 2815 S CB 0.846 64.093 63.200 0.079 0.000 1.181 2815 S HN -0.089 nan 8.310 nan 0.000 0.489 2816 D N 0.682 121.089 120.400 0.012 0.000 2.615 2816 D HA 0.434 5.097 4.640 0.037 0.000 0.236 2816 D C -0.987 175.323 176.300 0.017 0.000 1.233 2816 D CA 0.043 54.050 54.000 0.010 0.000 0.829 2816 D CB 0.285 41.086 40.800 0.001 0.000 1.024 2816 D HN 0.216 nan 8.370 nan 0.000 0.490 2817 K N -0.040 120.377 120.400 0.029 0.000 2.604 2817 K HA 0.517 4.860 4.320 0.037 0.000 0.247 2817 K C 0.693 177.309 176.600 0.027 0.000 0.956 2817 K CA -0.530 55.773 56.287 0.027 0.000 0.896 2817 K CB 1.550 34.069 32.500 0.032 0.000 1.131 2817 K HN -0.146 nan 8.250 nan 0.000 0.440 2818 A N 2.297 125.126 122.820 0.016 0.000 1.958 2818 A HA -0.299 4.044 4.320 0.037 0.000 0.221 2818 A C 2.024 179.612 177.584 0.006 0.000 1.178 2818 A CA 2.298 54.340 52.037 0.008 0.000 0.642 2818 A CB -0.315 18.686 19.000 0.003 0.000 0.816 2818 A HN 0.863 nan 8.150 nan 0.000 0.453 2819 E N -0.984 119.221 120.200 0.009 0.000 2.085 2819 E HA -0.180 4.192 4.350 0.037 0.000 0.194 2819 E C 1.922 178.527 176.600 0.008 0.000 0.994 2819 E CA 1.781 58.184 56.400 0.006 0.000 0.801 2819 E CB -0.180 29.526 29.700 0.009 0.000 0.743 2819 E HN 0.589 nan 8.360 nan 0.000 0.453 2820 T N 0.770 115.340 114.554 0.027 0.000 2.857 2820 T HA -0.059 4.314 4.350 0.037 0.000 0.266 2820 T C 1.513 176.222 174.700 0.015 0.000 1.048 2820 T CA 1.069 63.194 62.100 0.041 0.000 1.139 2820 T CB -0.263 68.668 68.868 0.105 0.000 0.874 2820 T HN 0.165 nan 8.240 nan 0.000 0.455 2821 N N 1.168 119.883 118.700 0.026 0.000 2.166 2821 N HA -0.058 4.704 4.740 0.037 0.000 0.186 2821 N C 1.911 177.390 175.510 -0.051 0.000 1.019 2821 N CA 0.752 53.800 53.050 -0.003 0.000 0.856 2821 N CB -0.213 38.282 38.487 0.012 0.000 0.993 2821 N HN 0.306 nan 8.380 nan 0.000 0.426 2822 E N 0.753 120.932 120.200 -0.035 0.000 2.106 2822 E HA -0.133 4.239 4.350 0.037 0.000 0.192 2822 E C 1.776 178.347 176.600 -0.048 0.000 0.984 2822 E CA 0.658 57.034 56.400 -0.039 0.000 0.806 2822 E CB -0.128 29.557 29.700 -0.024 0.000 0.750 2822 E HN 0.401 nan 8.360 nan 0.000 0.458 2823 K N 0.771 121.140 120.400 -0.052 0.000 2.152 2823 K HA -0.109 4.233 4.320 0.037 0.000 0.206 2823 K C 1.978 178.524 176.600 -0.089 0.000 1.048 2823 K CA 0.973 57.224 56.287 -0.060 0.000 0.933 2823 K CB 0.141 32.608 32.500 -0.055 0.000 0.721 2823 K HN -0.082 nan 8.250 nan 0.000 0.447 2824 V N 1.273 121.099 119.914 -0.147 0.000 2.283 2824 V HA -0.200 3.942 4.120 0.037 0.000 0.243 2824 V C 2.361 178.451 176.094 -0.007 0.000 1.039 2824 V CA 1.936 64.134 62.300 -0.170 0.000 1.016 2824 V CB -0.541 31.055 31.823 -0.378 0.000 0.650 2824 V HN 0.402 nan 8.190 nan 0.000 0.449 2825 K N -0.006 120.344 120.400 -0.083 0.000 2.089 2825 K HA -0.309 4.034 4.320 0.037 0.000 0.210 2825 K C 2.351 178.968 176.600 0.029 0.000 1.048 2825 K CA 1.925 58.172 56.287 -0.067 0.000 0.926 2825 K CB -0.101 32.352 32.500 -0.080 0.000 0.714 2825 K HN 0.158 nan 8.250 nan 0.000 0.448 2826 R N 0.943 121.450 120.500 0.011 0.000 2.070 2826 R HA 0.001 4.363 4.340 0.037 0.000 0.232 2826 R C 2.193 178.513 176.300 0.034 0.000 1.138 2826 R CA 1.642 57.750 56.100 0.014 0.000 0.936 2826 R CB -0.674 29.620 30.300 -0.010 0.000 0.839 2826 R HN 0.295 nan 8.270 nan 0.000 0.429 2827 I N -0.190 120.396 120.570 0.028 0.000 2.185 2827 I HA -0.343 3.849 4.170 0.037 0.000 0.246 2827 I C 1.822 177.926 176.117 -0.021 0.000 1.088 2827 I CA 1.423 62.714 61.300 -0.016 0.000 1.347 2827 I CB -0.295 37.665 38.000 -0.066 0.000 1.041 2827 I HN 0.088 nan 8.210 nan 0.000 0.415 2828 F N 1.132 121.021 119.950 -0.102 0.000 2.075 2828 F HA -0.231 4.316 4.527 0.033 0.000 0.297 2828 F C 2.537 178.304 175.800 -0.055 0.000 1.113 2828 F CA 1.749 59.697 58.000 -0.086 0.000 1.218 2828 F CB -0.736 38.210 39.000 -0.089 0.000 0.984 2828 F HN 0.032 nan 8.300 nan 0.000 0.472 2829 E N -0.514 119.775 120.200 0.149 0.000 2.065 2829 E HA -0.262 4.110 4.350 0.037 0.000 0.201 2829 E C 1.903 178.525 176.600 0.037 0.000 1.016 2829 E CA 1.445 57.887 56.400 0.069 0.000 0.818 2829 E CB -0.239 29.486 29.700 0.042 0.000 0.749 2829 E HN 0.197 nan 8.360 nan 0.000 0.453 2830 Q N 0.032 119.845 119.800 0.022 0.000 2.431 2830 Q HA -0.011 4.352 4.340 0.037 0.000 0.210 2830 Q C 1.720 177.732 176.000 0.020 0.000 0.958 2830 Q CA 0.549 56.361 55.803 0.014 0.000 0.957 2830 Q CB 0.135 28.873 28.738 -0.000 0.000 1.007 2830 Q HN 0.269 nan 8.270 nan 0.000 0.511 2831 S N -0.999 114.703 115.700 0.003 0.000 2.446 2831 S HA -0.085 4.407 4.470 0.037 0.000 0.225 2831 S C 0.828 175.515 174.600 0.145 0.000 1.016 2831 S CA 0.306 58.508 58.200 0.003 0.000 0.943 2831 S CB 0.122 63.232 63.200 -0.150 0.000 0.786 2831 S HN 0.404 nan 8.310 nan 0.000 0.508 2832 Q N -0.184 119.697 119.800 0.135 0.000 2.489 2832 Q HA -0.114 4.248 4.340 0.037 0.000 0.259 2832 Q C -0.877 175.271 176.000 0.246 0.000 0.934 2832 Q CA 0.899 56.846 55.803 0.240 0.000 1.131 2832 Q CB -1.717 27.293 28.738 0.455 0.000 1.472 2832 Q HN 0.686 nan 8.270 nan 0.000 0.560 2833 I N 0.074 120.652 120.570 0.013 0.000 2.359 2833 I HA 0.147 4.339 4.170 0.037 0.000 0.294 2833 I C 1.181 177.254 176.117 -0.074 0.000 0.987 2833 I CA -0.282 60.929 61.300 -0.147 0.000 1.225 2833 I CB 1.446 39.243 38.000 -0.340 0.000 1.366 2833 I HN 0.027 nan 8.210 nan 0.000 0.466 2834 K N 2.759 123.117 120.400 -0.070 0.000 2.168 2834 K HA 0.093 4.435 4.320 0.037 0.000 0.201 2834 K C 0.292 176.846 176.600 -0.077 0.000 1.049 2834 K CA 0.885 57.132 56.287 -0.068 0.000 0.974 2834 K CB 0.467 32.922 32.500 -0.076 0.000 0.792 2834 K HN 0.839 nan 8.250 nan 0.000 0.463 2835 T N -1.723 112.763 114.554 -0.115 0.000 2.843 2835 T HA 0.586 4.958 4.350 0.037 0.000 0.302 2835 T C -0.930 173.683 174.700 -0.145 0.000 1.232 2835 T CA -1.109 60.910 62.100 -0.135 0.000 1.009 2835 T CB 2.361 71.119 68.868 -0.184 0.000 1.254 2835 T HN -0.014 nan 8.240 nan 0.000 0.504 2836 R N -0.086 120.336 120.500 -0.130 0.000 2.707 2836 R HA 0.410 4.773 4.340 0.037 0.000 0.272 2836 R C -1.229 175.013 176.300 -0.098 0.000 1.011 2836 R CA -0.916 55.166 56.100 -0.030 0.000 0.893 2836 R CB 1.828 32.161 30.300 0.055 0.000 1.233 2836 R HN 0.718 nan 8.270 nan 0.000 0.464 2837 H N 2.983 122.131 119.070 0.129 0.000 2.476 2837 H HA 0.440 5.017 4.556 0.034 0.000 0.328 2837 H C -0.634 174.770 175.328 0.126 0.000 1.073 2837 H CA -0.406 55.723 56.048 0.135 0.000 1.229 2837 H CB 1.490 31.358 29.762 0.177 0.000 1.432 2837 H HN 0.214 nan 8.280 nan 0.000 0.477 2838 L N 2.701 124.038 121.223 0.191 0.000 2.410 2838 L HA 0.216 4.578 4.340 0.037 0.000 0.270 2838 L C 1.262 178.190 176.870 0.097 0.000 0.983 2838 L CA -0.725 54.205 54.840 0.149 0.000 0.822 2838 L CB 2.437 44.606 42.059 0.182 0.000 1.285 2838 L HN 0.329 nan 8.230 nan 0.000 0.409 2839 V N 1.029 120.978 119.914 0.058 0.000 2.490 2839 V HA -0.113 4.029 4.120 0.037 0.000 0.250 2839 V C 1.182 177.267 176.094 -0.015 0.000 1.061 2839 V CA 1.520 63.834 62.300 0.024 0.000 1.064 2839 V CB -0.475 31.352 31.823 0.008 0.000 0.670 2839 V HN 0.710 nan 8.190 nan 0.000 0.461 2840 R N 1.248 121.720 120.500 -0.047 0.000 2.272 2840 R HA 0.194 4.556 4.340 0.037 0.000 0.323 2840 R C -0.776 175.453 176.300 -0.118 0.000 1.002 2840 R CA -0.453 55.551 56.100 -0.160 0.000 0.900 2840 R CB 0.446 30.555 30.300 -0.318 0.000 1.151 2840 R HN 0.155 nan 8.270 nan 0.000 0.507 2841 D N 4.160 124.521 120.400 -0.065 0.000 2.402 2841 D HA -0.030 4.632 4.640 0.037 0.000 0.235 2841 D C 0.229 176.535 176.300 0.011 0.000 1.226 2841 D CA -0.070 53.955 54.000 0.042 0.000 0.918 2841 D CB 0.352 41.177 40.800 0.042 0.000 1.043 2841 D HN 0.544 nan 8.370 nan 0.000 0.506 2842 Y N 1.244 121.610 120.300 0.110 0.000 2.569 2842 Y HA -0.180 4.390 4.550 0.033 0.000 0.293 2842 Y C 2.646 178.595 175.900 0.083 0.000 1.144 2842 Y CA 1.424 59.597 58.100 0.121 0.000 1.321 2842 Y CB -0.299 38.282 38.460 0.202 0.000 0.982 2842 Y HN 0.452 nan 8.280 nan 0.000 0.558 2843 T N -2.271 112.391 114.554 0.179 0.000 2.995 2843 T HA -0.052 4.320 4.350 0.037 0.000 0.269 2843 T C 0.672 175.415 174.700 0.071 0.000 1.091 2843 T CA 0.187 62.351 62.100 0.107 0.000 1.128 2843 T CB -0.191 68.725 68.868 0.080 0.000 0.891 2843 T HN 0.069 nan 8.240 nan 0.000 0.492 2844 K N 2.363 122.797 120.400 0.056 0.000 2.349 2844 K HA 0.204 4.546 4.320 0.037 0.000 0.288 2844 K C -1.955 174.676 176.600 0.051 0.000 1.058 2844 K CA -1.954 54.357 56.287 0.039 0.000 0.953 2844 K CB 1.268 33.779 32.500 0.018 0.000 0.997 2844 K HN 0.013 nan 8.250 nan 0.000 0.477 2845 P HA -0.262 nan 4.420 nan 0.000 0.218 2845 P C 0.369 177.779 177.300 0.182 0.000 1.154 2845 P CA 1.551 64.711 63.100 0.100 0.000 0.872 2845 P CB 0.274 32.031 31.700 0.095 0.000 0.790 2846 E N -0.813 119.476 120.200 0.149 0.000 2.110 2846 E HA -0.139 4.233 4.350 0.037 0.000 0.193 2846 E C 1.315 178.041 176.600 0.209 0.000 0.988 2846 E CA 1.031 57.537 56.400 0.177 0.000 0.804 2846 E CB -1.008 28.729 29.700 0.062 0.000 0.745 2846 E HN 0.347 nan 8.360 nan 0.000 0.458 2847 N N 0.904 119.646 118.700 0.069 0.000 2.449 2847 N HA -0.007 4.755 4.740 0.037 0.000 0.191 2847 N C 0.040 175.523 175.510 -0.046 0.000 1.161 2847 N CA 0.188 53.199 53.050 -0.065 0.000 0.863 2847 N CB 0.117 38.443 38.487 -0.268 0.000 0.980 2847 N HN 0.006 nan 8.380 nan 0.000 0.458 2848 S N 0.844 116.591 115.700 0.080 0.000 2.571 2848 S HA -0.065 4.427 4.470 0.037 0.000 0.298 2848 S C 1.490 176.149 174.600 0.099 0.000 1.280 2848 S CA -0.323 57.876 58.200 -0.002 0.000 1.052 2848 S CB 0.329 63.300 63.200 -0.381 0.000 0.799 2848 S HN 0.308 nan 8.310 nan 0.000 0.501 2849 I N 4.106 124.851 120.570 0.293 0.000 2.830 2849 I HA -0.111 4.082 4.170 0.037 0.000 0.263 2849 I C 2.120 178.303 176.117 0.110 0.000 1.230 2849 I CA 1.342 62.862 61.300 0.368 0.000 1.480 2849 I CB -0.195 37.987 38.000 0.304 0.000 1.095 2849 I HN 0.860 nan 8.210 nan 0.000 0.455 2850 K N -0.217 120.118 120.400 -0.109 0.000 2.555 2850 K HA -0.082 4.261 4.320 0.037 0.000 0.193 2850 K C 1.198 177.837 176.600 0.064 0.000 1.032 2850 K CA 1.249 57.446 56.287 -0.149 0.000 1.004 2850 K CB -0.345 31.979 32.500 -0.293 0.000 0.804 2850 K HN 0.343 nan 8.250 nan 0.000 0.496 2851 F N 0.628 120.697 119.950 0.197 0.000 2.717 2851 F HA 0.257 4.804 4.527 0.034 0.000 0.295 2851 F C 2.070 177.925 175.800 0.091 0.000 1.117 2851 F CA -0.990 57.093 58.000 0.138 0.000 1.361 2851 F CB 0.284 39.320 39.000 0.059 0.000 1.112 2851 F HN -0.141 nan 8.300 nan 0.000 0.594 2852 R N 0.826 121.522 120.500 0.327 0.000 2.154 2852 R HA -0.213 4.149 4.340 0.037 0.000 0.248 2852 R C 2.062 178.473 176.300 0.185 0.000 1.155 2852 R CA 1.702 57.949 56.100 0.245 0.000 0.979 2852 R CB -1.201 29.267 30.300 0.280 0.000 0.869 2852 R HN 0.531 nan 8.270 nan 0.000 0.452 2853 H N 0.056 119.193 119.070 0.111 0.000 2.521 2853 H HA -0.022 4.556 4.556 0.037 0.000 0.286 2853 H C 1.664 177.031 175.328 0.066 0.000 1.034 2853 H CA 0.776 56.867 56.048 0.072 0.000 1.278 2853 H CB -0.419 29.372 29.762 0.048 0.000 1.386 2853 H HN 0.205 nan 8.280 nan 0.000 0.567 2854 L N 0.552 121.504 121.223 -0.452 0.000 2.558 2854 L HA 0.137 4.499 4.340 0.037 0.000 0.225 2854 L C 0.506 177.298 176.870 -0.131 0.000 1.128 2854 L CA 0.186 54.819 54.840 -0.345 0.000 0.868 2854 L CB 0.072 41.923 42.059 -0.347 0.000 1.006 2854 L HN 0.180 nan 8.230 nan 0.000 0.454 2855 E N -0.051 120.117 120.200 -0.054 0.000 2.250 2855 E HA 0.342 4.714 4.350 0.037 0.000 0.265 2855 E C -0.033 176.565 176.600 -0.004 0.000 1.033 2855 E CA -0.316 56.077 56.400 -0.012 0.000 0.888 2855 E CB 1.551 31.270 29.700 0.032 0.000 1.151 2855 E HN 0.029 nan 8.360 nan 0.000 0.412 2856 T N -1.906 112.643 114.554 -0.007 0.000 2.858 2856 T HA 0.263 4.636 4.350 0.037 0.000 0.285 2856 T C 0.797 175.481 174.700 -0.026 0.000 1.052 2856 T CA -0.764 61.321 62.100 -0.026 0.000 1.009 2856 T CB 0.771 69.614 68.868 -0.040 0.000 1.241 2856 T HN 0.379 nan 8.240 nan 0.000 0.542 2857 I N 0.833 121.352 120.570 -0.084 0.000 2.454 2857 I HA -0.055 4.138 4.170 0.037 0.000 0.254 2857 I C 2.192 178.278 176.117 -0.052 0.000 1.156 2857 I CA 1.839 63.063 61.300 -0.127 0.000 1.433 2857 I CB -0.787 37.046 38.000 -0.279 0.000 1.082 2857 I HN 0.863 nan 8.210 nan 0.000 0.432 2858 T N 0.496 115.027 114.554 -0.039 0.000 2.777 2858 T HA -0.133 4.239 4.350 0.037 0.000 0.266 2858 T C 1.570 176.286 174.700 0.026 0.000 1.040 2858 T CA 1.597 63.692 62.100 -0.009 0.000 1.141 2858 T CB -0.327 68.531 68.868 -0.017 0.000 0.868 2858 T HN 0.431 nan 8.240 nan 0.000 0.444 2859 D N 1.398 121.812 120.400 0.024 0.000 2.077 2859 D HA -0.107 4.556 4.640 0.037 0.000 0.193 2859 D C 2.534 178.880 176.300 0.076 0.000 0.989 2859 D CA 1.745 55.768 54.000 0.039 0.000 0.831 2859 D CB -0.637 40.178 40.800 0.025 0.000 0.979 2859 D HN 0.380 nan 8.370 nan 0.000 0.449 2860 V N 0.565 120.541 119.914 0.104 0.000 2.392 2860 V HA -0.254 3.888 4.120 0.037 0.000 0.249 2860 V C 2.049 178.285 176.094 0.236 0.000 1.059 2860 V CA 2.195 64.588 62.300 0.155 0.000 1.051 2860 V CB -1.007 30.959 31.823 0.238 0.000 0.658 2860 V HN 0.018 nan 8.190 nan 0.000 0.455 2861 N N 1.021 119.858 118.700 0.229 0.000 2.216 2861 N HA -0.109 4.654 4.740 0.037 0.000 0.183 2861 N C 1.658 177.321 175.510 0.256 0.000 1.017 2861 N CA 1.424 54.631 53.050 0.261 0.000 0.861 2861 N CB -0.357 38.232 38.487 0.170 0.000 0.986 2861 N HN 0.514 nan 8.380 nan 0.000 0.428 2862 N N 0.176 118.974 118.700 0.162 0.000 2.142 2862 N HA -0.146 4.616 4.740 0.037 0.000 0.186 2862 N C 1.505 177.095 175.510 0.133 0.000 1.023 2862 N CA 0.722 53.848 53.050 0.127 0.000 0.852 2862 N CB -0.416 38.116 38.487 0.074 0.000 0.998 2862 N HN 0.379 nan 8.380 nan 0.000 0.424 2863 Q N 0.131 120.010 119.800 0.132 0.000 2.050 2863 Q HA -0.085 4.277 4.340 0.037 0.000 0.202 2863 Q C 1.906 177.993 176.000 0.145 0.000 0.980 2863 Q CA 1.345 57.211 55.803 0.105 0.000 0.840 2863 Q CB -0.726 28.058 28.738 0.078 0.000 0.898 2863 Q HN 0.405 nan 8.270 nan 0.000 0.424 2864 F N 0.869 120.857 119.950 0.062 0.000 2.043 2864 F HA -0.263 4.302 4.527 0.063 0.000 0.297 2864 F C 2.101 177.943 175.800 0.071 0.000 1.121 2864 F CA 2.286 60.333 58.000 0.078 0.000 1.199 2864 F CB -0.276 38.814 39.000 0.150 0.000 0.968 2864 F HN 0.069 nan 8.300 nan 0.000 0.478 2865 K N 0.412 120.960 120.400 0.247 0.000 2.089 2865 K HA -0.266 4.076 4.320 0.037 0.000 0.210 2865 K C 2.185 178.781 176.600 -0.008 0.000 1.048 2865 K CA 1.795 58.145 56.287 0.105 0.000 0.926 2865 K CB -0.277 32.323 32.500 0.168 0.000 0.714 2865 K HN 0.084 nan 8.250 nan 0.000 0.448 2866 K N 0.231 120.640 120.400 0.016 0.000 2.439 2866 K HA -0.048 4.294 4.320 0.037 0.000 0.197 2866 K C 1.349 177.925 176.600 -0.040 0.000 1.041 2866 K CA 0.804 57.089 56.287 -0.003 0.000 0.970 2866 K CB 0.351 32.862 32.500 0.018 0.000 0.773 2866 K HN 0.112 nan 8.250 nan 0.000 0.479 2867 V N 0.239 120.099 119.914 -0.090 0.000 3.562 2867 V HA -0.007 4.135 4.120 0.037 0.000 0.270 2867 V C 1.588 177.580 176.094 -0.170 0.000 1.418 2867 V CA 0.452 62.691 62.300 -0.101 0.000 1.033 2867 V CB 0.941 32.725 31.823 -0.065 0.000 0.820 2867 V HN 0.123 nan 8.190 nan 0.000 0.441 2868 V N 1.511 121.232 119.914 -0.321 0.000 2.591 2868 V HA 0.089 4.231 4.120 0.037 0.000 0.249 2868 V C -0.130 175.849 176.094 -0.191 0.000 1.053 2868 V CA 1.916 63.999 62.300 -0.360 0.000 1.068 2868 V CB -0.538 30.811 31.823 -0.791 0.000 0.689 2868 V HN 0.490 nan 8.190 nan 0.000 0.462 2869 P HA -0.095 nan 4.420 nan 0.000 0.215 2869 P C 1.086 178.356 177.300 -0.049 0.000 1.157 2869 P CA 1.816 64.874 63.100 -0.069 0.000 0.868 2869 P CB -0.072 31.604 31.700 -0.039 0.000 0.788 2870 D N -0.856 119.516 120.400 -0.046 0.000 2.123 2870 D HA -0.122 4.540 4.640 0.037 0.000 0.196 2870 D C 2.041 178.326 176.300 -0.025 0.000 0.992 2870 D CA 0.978 54.961 54.000 -0.028 0.000 0.833 2870 D CB -0.860 39.927 40.800 -0.021 0.000 0.954 2870 D HN 0.130 nan 8.370 nan 0.000 0.455 2871 L N 0.439 121.641 121.223 -0.035 0.000 2.046 2871 L HA -0.170 4.192 4.340 0.037 0.000 0.208 2871 L C 2.433 179.295 176.870 -0.014 0.000 1.077 2871 L CA 1.241 56.069 54.840 -0.019 0.000 0.747 2871 L CB -0.422 41.623 42.059 -0.023 0.000 0.896 2871 L HN 0.014 nan 8.230 nan 0.000 0.432 2872 A N -0.866 121.937 122.820 -0.028 0.000 1.930 2872 A HA -0.250 4.092 4.320 0.037 0.000 0.217 2872 A C 2.235 179.807 177.584 -0.020 0.000 1.175 2872 A CA 1.501 53.526 52.037 -0.020 0.000 0.627 2872 A CB -0.463 18.521 19.000 -0.026 0.000 0.815 2872 A HN 0.478 nan 8.150 nan 0.000 0.443 2873 Q N -0.729 119.059 119.800 -0.020 0.000 2.084 2873 Q HA -0.255 4.107 4.340 0.037 0.000 0.202 2873 Q C 2.278 178.271 176.000 -0.011 0.000 0.978 2873 Q CA 1.816 57.609 55.803 -0.016 0.000 0.844 2873 Q CB -0.154 28.574 28.738 -0.015 0.000 0.898 2873 Q HN 0.813 nan 8.270 nan 0.000 0.426 2874 Q N -0.463 119.331 119.800 -0.009 0.000 2.020 2874 Q HA -0.204 4.158 4.340 0.037 0.000 0.202 2874 Q C 1.945 177.939 176.000 -0.010 0.000 0.982 2874 Q CA 1.620 57.420 55.803 -0.006 0.000 0.838 2874 Q CB -0.198 28.538 28.738 -0.002 0.000 0.899 2874 Q HN 0.476 nan 8.270 nan 0.000 0.423 2875 A N 0.038 122.849 122.820 -0.014 0.000 1.858 2875 A HA -0.230 4.113 4.320 0.037 0.000 0.216 2875 A C 2.399 179.972 177.584 -0.019 0.000 1.190 2875 A CA 1.545 53.567 52.037 -0.025 0.000 0.617 2875 A CB -1.248 17.742 19.000 -0.018 0.000 0.827 2875 A HN 0.647 nan 8.150 nan 0.000 0.443 2876 C N -1.304 117.984 119.300 -0.020 0.000 2.398 2876 C HA -0.132 4.350 4.460 0.037 0.000 0.276 2876 C C 2.549 177.544 174.990 0.007 0.000 1.222 2876 C CA 1.233 60.239 59.018 -0.020 0.000 1.746 2876 C CB -1.494 26.230 27.740 -0.028 0.000 2.039 2876 C HN 0.600 nan 8.230 nan 0.000 0.470 2877 L N 0.794 122.022 121.223 0.008 0.000 1.970 2877 L HA -0.144 4.218 4.340 0.037 0.000 0.212 2877 L C 2.647 179.536 176.870 0.032 0.000 1.071 2877 L CA 1.836 56.689 54.840 0.022 0.000 0.751 2877 L CB -0.976 41.090 42.059 0.011 0.000 0.889 2877 L HN 0.296 nan 8.230 nan 0.000 0.432 2878 R N -1.229 119.281 120.500 0.017 0.000 2.105 2878 R HA -0.124 4.238 4.340 0.037 0.000 0.239 2878 R C 2.136 178.460 176.300 0.040 0.000 1.135 2878 R CA 1.272 57.383 56.100 0.018 0.000 0.967 2878 R CB -0.511 29.784 30.300 -0.007 0.000 0.861 2878 R HN 0.444 nan 8.270 nan 0.000 0.442 2879 A N 0.551 123.395 122.820 0.040 0.000 2.014 2879 A HA -0.042 4.300 4.320 0.037 0.000 0.218 2879 A C 2.037 179.707 177.584 0.143 0.000 1.163 2879 A CA 0.855 52.934 52.037 0.070 0.000 0.652 2879 A CB -0.246 18.773 19.000 0.032 0.000 0.808 2879 A HN 0.174 nan 8.150 nan 0.000 0.449 2880 L N -0.388 120.924 121.223 0.148 0.000 2.072 2880 L HA -0.146 4.216 4.340 0.037 0.000 0.205 2880 L C 2.634 179.654 176.870 0.250 0.000 1.079 2880 L CA 1.807 56.813 54.840 0.277 0.000 0.752 2880 L CB -0.315 41.867 42.059 0.206 0.000 0.906 2880 L HN 0.567 nan 8.230 nan 0.000 0.436 2881 K N 0.029 120.504 120.400 0.125 0.000 2.097 2881 K HA -0.238 4.104 4.320 0.037 0.000 0.205 2881 K C 1.698 178.340 176.600 0.070 0.000 1.050 2881 K CA 1.953 58.278 56.287 0.062 0.000 0.938 2881 K CB -0.194 32.325 32.500 0.032 0.000 0.718 2881 K HN 0.072 nan 8.250 nan 0.000 0.442 2882 D N 0.173 120.635 120.400 0.103 0.000 2.144 2882 D HA -0.190 4.472 4.640 0.037 0.000 0.199 2882 D C 1.541 177.942 176.300 0.169 0.000 0.984 2882 D CA 1.123 55.185 54.000 0.104 0.000 0.834 2882 D CB -0.186 40.674 40.800 0.100 0.000 0.955 2882 D HN 0.510 nan 8.370 nan 0.000 0.465 2883 W N 0.601 121.911 121.300 0.016 0.000 2.355 2883 W HA -0.001 4.679 4.660 0.034 0.000 0.309 2883 W C 1.844 178.368 176.519 0.009 0.000 1.206 2883 W CA 2.791 60.149 57.345 0.022 0.000 1.284 2883 W CB -0.449 29.026 29.460 0.025 0.000 1.145 2883 W HN 0.146 nan 8.180 nan 0.000 0.502 2884 G N -0.494 108.181 108.800 -0.208 0.000 2.317 2884 G HA2 -0.240 3.743 3.960 0.037 0.000 0.227 2884 G HA3 -0.240 3.743 3.960 0.037 0.000 0.227 2884 G C 0.988 175.420 174.900 -0.780 0.000 1.042 2884 G CA 0.280 45.135 45.100 -0.408 0.000 0.623 2884 G HN 0.830 nan 8.290 nan 0.000 0.509 2885 G N 0.280 107.996 108.800 -1.806 0.000 2.744 2885 G HA2 0.384 4.366 3.960 0.037 0.000 0.257 2885 G HA3 0.384 4.366 3.960 0.037 0.000 0.257 2885 G C -0.214 174.015 174.900 -1.119 0.000 1.244 2885 G CA 0.758 44.718 45.100 -1.898 0.000 0.916 2885 G HN 0.730 nan 8.290 nan 0.000 0.564 2886 D N -1.368 118.680 120.400 -0.588 0.000 2.280 2886 D HA 0.131 4.793 4.640 0.037 0.000 0.243 2886 D C 1.675 178.031 176.300 0.093 0.000 1.129 2886 D CA -0.612 53.282 54.000 -0.176 0.000 0.848 2886 D CB 1.139 41.885 40.800 -0.091 0.000 1.107 2886 D HN 0.456 nan 8.370 nan 0.000 0.471 2887 K N 2.323 122.823 120.400 0.166 0.000 2.228 2887 K HA -0.175 4.167 4.320 0.037 0.000 0.205 2887 K C 1.534 178.239 176.600 0.176 0.000 1.045 2887 K CA 1.481 57.921 56.287 0.255 0.000 0.931 2887 K CB -0.422 32.161 32.500 0.138 0.000 0.727 2887 K HN 0.409 nan 8.250 nan 0.000 0.458 2888 G N 0.992 109.860 108.800 0.114 0.000 2.559 2888 G HA2 -0.162 3.820 3.960 0.037 0.000 0.216 2888 G HA3 -0.162 3.820 3.960 0.037 0.000 0.216 2888 G C 0.668 175.628 174.900 0.100 0.000 1.126 2888 G CA 0.512 45.657 45.100 0.075 0.000 0.778 2888 G HN 0.320 nan 8.290 nan 0.000 0.543 2889 D N 0.107 120.620 120.400 0.189 0.000 2.349 2889 D HA 0.094 4.757 4.640 0.037 0.000 0.215 2889 D C 1.049 177.452 176.300 0.172 0.000 1.016 2889 D CA -0.133 53.993 54.000 0.211 0.000 0.870 2889 D CB 0.364 41.353 40.800 0.317 0.000 0.917 2889 D HN 0.260 nan 8.370 nan 0.000 0.524 2890 I N 2.051 122.696 120.570 0.125 0.000 2.505 2890 I HA -0.051 4.141 4.170 0.037 0.000 0.287 2890 I C 1.771 177.873 176.117 -0.024 0.000 1.104 2890 I CA 0.214 61.501 61.300 -0.022 0.000 1.387 2890 I CB 1.183 39.134 38.000 -0.081 0.000 1.404 2890 I HN -0.061 nan 8.210 nan 0.000 0.528 2891 T N 2.481 117.027 114.554 -0.013 0.000 3.035 2891 T HA 0.059 4.431 4.350 0.037 0.000 0.259 2891 T C 0.773 175.311 174.700 -0.270 0.000 1.078 2891 T CA 0.685 62.740 62.100 -0.075 0.000 1.132 2891 T CB 0.051 68.946 68.868 0.045 0.000 0.900 2891 T HN 0.497 nan 8.240 nan 0.000 0.480 2892 H N -0.210 118.820 119.070 -0.066 0.000 2.768 2892 H HA 0.577 5.154 4.556 0.036 0.000 0.371 2892 H C -1.306 173.966 175.328 -0.092 0.000 1.151 2892 H CA -0.985 55.024 56.048 -0.065 0.000 1.165 2892 H CB 2.307 32.033 29.762 -0.060 0.000 1.722 2892 H HN 0.071 nan 8.280 nan 0.000 0.543 2893 I N 3.348 123.937 120.570 0.032 0.000 2.468 2893 I HA 0.179 4.372 4.170 0.037 0.000 0.285 2893 I C -1.010 175.103 176.117 -0.006 0.000 1.039 2893 I CA -0.608 60.678 61.300 -0.023 0.000 1.074 2893 I CB 1.424 39.400 38.000 -0.040 0.000 1.228 2893 I HN 0.238 nan 8.210 nan 0.000 0.436 2894 V N 6.533 126.418 119.914 -0.048 0.000 2.378 2894 V HA 0.396 4.538 4.120 0.037 0.000 0.288 2894 V C 0.224 176.289 176.094 -0.048 0.000 1.016 2894 V CA -0.536 61.741 62.300 -0.039 0.000 0.840 2894 V CB 1.615 33.399 31.823 -0.064 0.000 0.994 2894 V HN 0.798 nan 8.190 nan 0.000 0.431 2895 S N 4.485 120.181 115.700 -0.007 0.000 2.489 2895 S HA 0.809 5.301 4.470 0.037 0.000 0.291 2895 S C -0.811 173.801 174.600 0.019 0.000 1.151 2895 S CA -0.394 57.811 58.200 0.008 0.000 1.082 2895 S CB 1.421 64.643 63.200 0.037 0.000 1.019 2895 S HN 0.517 nan 8.310 nan 0.000 0.492 2896 V N 3.567 123.495 119.914 0.023 0.000 2.733 2896 V HA 0.821 4.963 4.120 0.037 0.000 0.306 2896 V C -0.129 175.993 176.094 0.046 0.000 1.084 2896 V CA -0.475 61.842 62.300 0.028 0.000 0.905 2896 V CB 1.703 33.536 31.823 0.017 0.000 1.010 2896 V HN 1.018 nan 8.190 nan 0.000 0.424 2897 T N 2.293 116.874 114.554 0.044 0.000 2.770 2897 T HA 0.469 4.841 4.350 0.037 0.000 0.323 2897 T C -0.352 174.342 174.700 -0.008 0.000 1.683 2897 T CA 0.341 62.474 62.100 0.056 0.000 1.024 2897 T CB 1.862 70.843 68.868 0.188 0.000 1.557 2897 T HN 0.580 nan 8.240 nan 0.000 0.494 2898 S N 0.373 116.015 115.700 -0.098 0.000 2.904 2898 S HA 0.129 4.621 4.470 0.037 0.000 0.260 2898 S C 1.090 175.455 174.600 -0.392 0.000 1.000 2898 S CA 0.335 58.409 58.200 -0.210 0.000 1.274 2898 S CB 0.563 63.607 63.200 -0.260 0.000 1.196 2898 S HN 0.914 nan 8.310 nan 0.000 0.678 2899 T N -0.141 114.207 114.554 -0.343 0.000 3.105 2899 T HA 0.561 4.933 4.350 0.037 0.000 0.253 2899 T C 0.692 174.916 174.700 -0.793 0.000 1.047 2899 T CA 0.172 62.008 62.100 -0.440 0.000 0.944 2899 T CB 0.785 69.595 68.868 -0.096 0.000 1.016 2899 T HN 0.431 nan 8.240 nan 0.000 0.544 2900 G N 0.765 109.008 108.800 -0.928 0.000 2.519 2900 G HA2 0.489 4.471 3.960 0.037 0.000 0.292 2900 G HA3 0.489 4.471 3.960 0.037 0.000 0.292 2900 G C -1.988 172.737 174.900 -0.292 0.000 1.507 2900 G CA -0.948 43.435 45.100 -1.194 0.000 0.806 2900 G HN 0.151 nan 8.290 nan 0.000 0.523 2901 I N 1.422 122.017 120.570 0.041 0.000 2.355 2901 I HA 0.471 4.663 4.170 0.037 0.000 0.288 2901 I C -0.252 176.003 176.117 0.231 0.000 0.999 2901 I CA -0.788 60.616 61.300 0.174 0.000 1.163 2901 I CB 0.970 39.068 38.000 0.163 0.000 1.316 2901 I HN 0.323 nan 8.210 nan 0.000 0.454 2902 I N 7.392 128.109 120.570 0.245 0.000 2.418 2902 I HA 0.487 4.679 4.170 0.037 0.000 0.287 2902 I C -0.424 175.767 176.117 0.124 0.000 1.008 2902 I CA -0.423 60.999 61.300 0.205 0.000 1.104 2902 I CB 2.109 40.245 38.000 0.227 0.000 1.264 2902 I HN 0.336 nan 8.210 nan 0.000 0.438 2903 I N 7.058 127.677 120.570 0.082 0.000 2.478 2903 I HA 0.364 4.556 4.170 0.037 0.000 0.287 2903 I C -2.122 173.993 176.117 -0.003 0.000 1.042 2903 I CA -1.725 59.593 61.300 0.030 0.000 1.067 2903 I CB 2.031 40.041 38.000 0.015 0.000 1.233 2903 I HN 0.342 nan 8.210 nan 0.000 0.431 2904 P HA 0.074 nan 4.420 nan 0.000 0.267 2904 P C -0.538 176.786 177.300 0.041 0.000 1.200 2904 P CA -0.191 62.850 63.100 -0.099 0.000 0.772 2904 P CB 0.445 31.951 31.700 -0.322 0.000 0.855 2905 D N 0.351 120.789 120.400 0.064 0.000 2.354 2905 D HA -0.064 4.598 4.640 0.037 0.000 0.238 2905 D C 1.291 177.675 176.300 0.141 0.000 1.250 2905 D CA -0.198 53.867 54.000 0.108 0.000 0.911 2905 D CB 0.812 41.670 40.800 0.096 0.000 1.163 2905 D HN -0.008 nan 8.370 nan 0.000 0.456 2906 V N 2.109 122.091 119.914 0.114 0.000 2.324 2906 V HA -0.301 3.841 4.120 0.037 0.000 0.250 2906 V C 2.130 178.272 176.094 0.081 0.000 1.060 2906 V CA 2.196 64.548 62.300 0.086 0.000 1.042 2906 V CB -0.973 30.883 31.823 0.055 0.000 0.650 2906 V HN 0.666 nan 8.190 nan 0.000 0.450 2907 N N 0.036 118.786 118.700 0.083 0.000 2.223 2907 N HA -0.255 4.507 4.740 0.037 0.000 0.185 2907 N C 2.029 177.586 175.510 0.079 0.000 1.016 2907 N CA 1.952 55.038 53.050 0.060 0.000 0.863 2907 N CB -0.501 38.019 38.487 0.054 0.000 0.983 2907 N HN 0.534 nan 8.380 nan 0.000 0.429 2908 F N 1.825 121.777 119.950 0.003 0.000 2.128 2908 F HA 0.077 4.624 4.527 0.034 0.000 0.295 2908 F C 2.399 178.199 175.800 0.001 0.000 1.100 2908 F CA 1.039 59.040 58.000 0.002 0.000 1.260 2908 F CB -0.093 38.912 39.000 0.009 0.000 1.009 2908 F HN -0.177 nan 8.300 nan 0.000 0.476 2909 K N 0.323 120.843 120.400 0.200 0.000 2.152 2909 K HA -0.171 4.171 4.320 0.037 0.000 0.206 2909 K C 1.986 178.558 176.600 -0.047 0.000 1.048 2909 K CA 1.645 57.986 56.287 0.090 0.000 0.933 2909 K CB -0.320 32.251 32.500 0.119 0.000 0.721 2909 K HN 0.375 nan 8.250 nan 0.000 0.447 2910 L N 0.506 121.699 121.223 -0.051 0.000 2.240 2910 L HA -0.094 4.268 4.340 0.037 0.000 0.211 2910 L C 2.093 178.898 176.870 -0.109 0.000 1.106 2910 L CA 0.504 55.305 54.840 -0.064 0.000 0.793 2910 L CB -0.266 41.768 42.059 -0.042 0.000 0.927 2910 L HN 0.166 nan 8.230 nan 0.000 0.446 2911 I N 0.350 120.812 120.570 -0.181 0.000 2.087 2911 I HA -0.399 3.794 4.170 0.037 0.000 0.240 2911 I C 2.142 178.155 176.117 -0.173 0.000 1.054 2911 I CA 1.997 63.174 61.300 -0.205 0.000 1.311 2911 I CB -0.321 37.474 38.000 -0.342 0.000 1.024 2911 I HN 0.306 nan 8.210 nan 0.000 0.402 2912 D N 0.471 120.746 120.400 -0.209 0.000 2.149 2912 D HA -0.095 4.567 4.640 0.037 0.000 0.201 2912 D C 2.299 178.551 176.300 -0.080 0.000 0.972 2912 D CA 0.871 54.789 54.000 -0.137 0.000 0.835 2912 D CB 0.032 40.749 40.800 -0.138 0.000 0.966 2912 D HN 0.196 nan 8.370 nan 0.000 0.476 2913 L N -0.171 121.009 121.223 -0.072 0.000 2.017 2913 L HA -0.137 4.226 4.340 0.037 0.000 0.208 2913 L C 2.221 179.070 176.870 -0.034 0.000 1.073 2913 L CA 0.860 55.674 54.840 -0.042 0.000 0.745 2913 L CB -0.303 41.736 42.059 -0.034 0.000 0.894 2913 L HN 0.166 nan 8.230 nan 0.000 0.432 2914 L N -0.767 120.432 121.223 -0.040 0.000 2.509 2914 L HA 0.151 4.513 4.340 0.037 0.000 0.222 2914 L C 1.234 178.091 176.870 -0.022 0.000 1.123 2914 L CA 0.437 55.263 54.840 -0.024 0.000 0.856 2914 L CB -0.446 41.601 42.059 -0.021 0.000 0.985 2914 L HN 0.481 nan 8.230 nan 0.000 0.456 2915 G N 1.289 110.066 108.800 -0.039 0.000 2.256 2915 G HA2 -0.249 3.733 3.960 0.037 0.000 0.272 2915 G HA3 -0.249 3.733 3.960 0.037 0.000 0.272 2915 G C 0.063 174.946 174.900 -0.029 0.000 1.076 2915 G CA -0.070 45.009 45.100 -0.035 0.000 0.882 2915 G HN 0.204 nan 8.290 nan 0.000 0.497 2916 L N -0.931 120.266 121.223 -0.043 0.000 2.479 2916 L HA 0.335 4.697 4.340 0.037 0.000 0.249 2916 L C 1.248 178.091 176.870 -0.045 0.000 1.178 2916 L CA -0.870 53.950 54.840 -0.034 0.000 0.811 2916 L CB 0.409 42.440 42.059 -0.046 0.000 1.187 2916 L HN 0.321 nan 8.230 nan 0.000 0.480 2917 N N 0.212 118.891 118.700 -0.036 0.000 2.447 2917 N HA -0.065 4.697 4.740 0.037 0.000 0.263 2917 N C 1.049 176.523 175.510 -0.060 0.000 1.226 2917 N CA -0.120 52.906 53.050 -0.039 0.000 0.906 2917 N CB 0.611 39.079 38.487 -0.032 0.000 1.060 2917 N HN 0.540 nan 8.380 nan 0.000 0.468 2918 K N 1.579 121.945 120.400 -0.057 0.000 2.281 2918 K HA -0.177 4.166 4.320 0.037 0.000 0.203 2918 K C 0.124 176.693 176.600 -0.052 0.000 1.046 2918 K CA 1.517 57.763 56.287 -0.068 0.000 0.938 2918 K CB 0.171 32.643 32.500 -0.046 0.000 0.737 2918 K HN 0.504 nan 8.250 nan 0.000 0.458 2919 D N 0.802 121.176 120.400 -0.044 0.000 2.350 2919 D HA 0.020 4.682 4.640 0.037 0.000 0.213 2919 D C -0.101 176.159 176.300 -0.067 0.000 1.031 2919 D CA -0.042 53.933 54.000 -0.040 0.000 0.861 2919 D CB 0.425 41.205 40.800 -0.033 0.000 0.926 2919 D HN 0.051 nan 8.370 nan 0.000 0.520 2920 V N 1.598 121.463 119.914 -0.082 0.000 2.790 2920 V HA -0.154 3.989 4.120 0.037 0.000 0.304 2920 V C 0.304 176.319 176.094 -0.131 0.000 1.142 2920 V CA 0.329 62.557 62.300 -0.120 0.000 1.282 2920 V CB 0.454 32.218 31.823 -0.098 0.000 0.877 2920 V HN 0.102 nan 8.190 nan 0.000 0.504 2921 E N 6.919 126.973 120.200 -0.243 0.000 2.324 2921 E HA 0.237 4.610 4.350 0.037 0.000 0.271 2921 E C -0.277 176.294 176.600 -0.049 0.000 1.028 2921 E CA -0.207 56.080 56.400 -0.188 0.000 0.890 2921 E CB 0.608 30.076 29.700 -0.387 0.000 1.004 2921 E HN 0.612 nan 8.360 nan 0.000 0.431 2922 R N 1.713 122.226 120.500 0.021 0.000 2.428 2922 R HA 0.527 4.889 4.340 0.037 0.000 0.294 2922 R C -0.772 175.573 176.300 0.075 0.000 1.000 2922 R CA -0.778 55.356 56.100 0.058 0.000 0.960 2922 R CB 1.305 31.657 30.300 0.086 0.000 1.076 2922 R HN 0.190 nan 8.270 nan 0.000 0.475 2923 V N 1.513 121.467 119.914 0.068 0.000 2.567 2923 V HA 0.153 4.295 4.120 0.037 0.000 0.298 2923 V C -0.567 175.553 176.094 0.044 0.000 1.047 2923 V CA -0.744 61.590 62.300 0.057 0.000 0.880 2923 V CB 2.063 33.918 31.823 0.053 0.000 1.009 2923 V HN 0.793 nan 8.190 nan 0.000 0.429 2924 S N 5.777 121.504 115.700 0.045 0.000 2.543 2924 S HA 0.460 4.952 4.470 0.037 0.000 0.299 2924 S C -0.024 174.597 174.600 0.036 0.000 1.125 2924 S CA -0.359 57.868 58.200 0.044 0.000 1.098 2924 S CB 0.200 63.431 63.200 0.052 0.000 1.063 2924 S HN 0.570 nan 8.310 nan 0.000 0.493 2925 L N 4.822 126.062 121.223 0.028 0.000 2.387 2925 L HA 0.272 4.634 4.340 0.037 0.000 0.267 2925 L C -0.273 176.610 176.870 0.022 0.000 1.197 2925 L CA -0.132 54.721 54.840 0.021 0.000 1.070 2925 L CB -0.342 41.725 42.059 0.014 0.000 1.349 2925 L HN 0.504 nan 8.230 nan 0.000 0.422 2926 N N 4.336 123.053 118.700 0.029 0.000 2.362 2926 N HA 0.511 5.274 4.740 0.037 0.000 0.299 2926 N C 0.401 175.925 175.510 0.024 0.000 1.170 2926 N CA -0.692 52.376 53.050 0.029 0.000 0.825 2926 N CB 2.682 41.200 38.487 0.051 0.000 1.299 2926 N HN 0.367 nan 8.380 nan 0.000 0.502 2927 L N -0.651 120.577 121.223 0.009 0.000 4.192 2927 L HA -0.193 4.169 4.340 0.037 0.000 0.403 2927 L C 0.676 177.547 176.870 0.002 0.000 1.163 2927 L CA 0.383 55.233 54.840 0.018 0.000 0.937 2927 L CB -1.489 40.606 42.059 0.060 0.000 2.134 2927 L HN 0.623 nan 8.230 nan 0.000 0.754 2928 M N -0.651 118.932 119.600 -0.027 0.000 2.382 2928 M HA 0.283 4.785 4.480 0.037 0.000 0.247 2928 M C 1.482 177.742 176.300 -0.066 0.000 1.104 2928 M CA 1.039 56.321 55.300 -0.030 0.000 1.030 2928 M CB 0.705 33.290 32.600 -0.025 0.000 1.424 2928 M HN 0.567 nan 8.290 nan 0.000 0.486 2929 G N 0.382 109.111 108.800 -0.118 0.000 2.632 2929 G HA2 -0.258 3.724 3.960 0.037 0.000 0.224 2929 G HA3 -0.258 3.724 3.960 0.037 0.000 0.224 2929 G C 0.303 175.085 174.900 -0.197 0.000 1.341 2929 G CA -0.396 44.593 45.100 -0.186 0.000 0.880 2929 G HN 0.324 nan 8.290 nan 0.000 0.566 2930 C N 0.124 119.296 119.300 -0.214 0.000 2.403 2930 C HA -0.010 4.472 4.460 0.037 0.000 0.282 2930 C C 2.933 177.664 174.990 -0.431 0.000 1.297 2930 C CA 1.954 60.792 59.018 -0.300 0.000 1.785 2930 C CB -1.900 25.703 27.740 -0.228 0.000 1.963 2930 C HN 0.916 nan 8.230 nan 0.000 0.507 2931 L N 0.738 121.790 121.223 -0.284 0.000 2.554 2931 L HA 0.357 4.719 4.340 0.037 0.000 0.226 2931 L C 2.202 178.968 176.870 -0.174 0.000 1.137 2931 L CA 1.491 56.172 54.840 -0.264 0.000 0.863 2931 L CB -1.449 40.524 42.059 -0.143 0.000 0.985 2931 L HN 0.065 nan 8.230 nan 0.000 0.451 2932 A N 1.123 123.860 122.820 -0.139 0.000 2.139 2932 A HA -0.073 4.269 4.320 0.037 0.000 0.221 2932 A C 2.356 179.905 177.584 -0.059 0.000 1.159 2932 A CA 1.569 53.559 52.037 -0.078 0.000 0.662 2932 A CB -1.451 17.509 19.000 -0.065 0.000 0.796 2932 A HN 0.556 nan 8.150 nan 0.000 0.463 2933 G N -0.207 108.533 108.800 -0.100 0.000 2.480 2933 G HA2 -0.152 3.831 3.960 0.037 0.000 0.216 2933 G HA3 -0.152 3.831 3.960 0.037 0.000 0.216 2933 G C 1.238 176.108 174.900 -0.051 0.000 1.200 2933 G CA 1.210 46.275 45.100 -0.058 0.000 0.782 2933 G HN 0.385 nan 8.290 nan 0.000 0.554 2934 L N 1.111 122.278 121.223 -0.093 0.000 2.313 2934 L HA 0.169 4.532 4.340 0.037 0.000 0.214 2934 L C 2.970 179.822 176.870 -0.030 0.000 1.119 2934 L CA 0.963 55.758 54.840 -0.075 0.000 0.809 2934 L CB -0.491 41.517 42.059 -0.085 0.000 0.933 2934 L HN 0.148 nan 8.230 nan 0.000 0.449 2935 S N -0.456 115.230 115.700 -0.024 0.000 2.368 2935 S HA -0.181 4.311 4.470 0.037 0.000 0.225 2935 S C 2.159 176.768 174.600 0.016 0.000 1.030 2935 S CA 1.521 59.719 58.200 -0.003 0.000 0.999 2935 S CB -0.206 62.988 63.200 -0.010 0.000 0.844 2935 S HN 0.680 nan 8.310 nan 0.000 0.459 2936 S N 1.989 117.711 115.700 0.037 0.000 2.355 2936 S HA 0.036 4.528 4.470 0.037 0.000 0.222 2936 S C 1.847 176.520 174.600 0.122 0.000 1.031 2936 S CA 0.677 58.922 58.200 0.076 0.000 0.993 2936 S CB -0.851 62.415 63.200 0.110 0.000 0.859 2936 S HN 0.408 nan 8.310 nan 0.000 0.453 2937 L N 1.447 122.743 121.223 0.122 0.000 2.013 2937 L HA -0.191 4.172 4.340 0.037 0.000 0.212 2937 L C 3.123 180.007 176.870 0.023 0.000 1.073 2937 L CA 2.055 56.929 54.840 0.058 0.000 0.753 2937 L CB -0.390 41.596 42.059 -0.123 0.000 0.890 2937 L HN 0.407 nan 8.230 nan 0.000 0.432 2938 R N -0.913 119.590 120.500 0.004 0.000 2.082 2938 R HA -0.189 4.173 4.340 0.037 0.000 0.234 2938 R C 2.109 178.410 176.300 0.002 0.000 1.136 2938 R CA 2.480 58.580 56.100 -0.002 0.000 0.935 2938 R CB -0.411 29.892 30.300 0.004 0.000 0.842 2938 R HN 0.343 nan 8.270 nan 0.000 0.430 2939 T N 0.515 115.074 114.554 0.007 0.000 2.708 2939 T HA -0.084 4.289 4.350 0.037 0.000 0.266 2939 T C 1.884 176.574 174.700 -0.018 0.000 1.037 2939 T CA 1.311 63.408 62.100 -0.005 0.000 1.146 2939 T CB -0.430 68.436 68.868 -0.003 0.000 0.865 2939 T HN 0.466 nan 8.240 nan 0.000 0.435 2940 A N 1.302 124.123 122.820 0.001 0.000 2.076 2940 A HA 0.188 4.530 4.320 0.037 0.000 0.220 2940 A C 2.529 180.103 177.584 -0.017 0.000 1.160 2940 A CA 1.652 53.678 52.037 -0.018 0.000 0.653 2940 A CB -0.917 18.104 19.000 0.036 0.000 0.801 2940 A HN 0.522 nan 8.150 nan 0.000 0.455 2941 A N -0.518 122.302 122.820 0.000 0.000 1.841 2941 A HA -0.027 4.315 4.320 0.037 0.000 0.214 2941 A C 2.443 180.014 177.584 -0.021 0.000 1.195 2941 A CA 1.865 53.898 52.037 -0.006 0.000 0.611 2941 A CB -0.975 18.016 19.000 -0.014 0.000 0.835 2941 A HN 0.440 nan 8.150 nan 0.000 0.443 2942 S N -0.181 115.503 115.700 -0.027 0.000 2.370 2942 S HA -0.158 4.334 4.470 0.037 0.000 0.226 2942 S C 1.823 176.392 174.600 -0.051 0.000 1.033 2942 S CA 1.533 59.715 58.200 -0.030 0.000 1.011 2942 S CB -0.462 62.722 63.200 -0.027 0.000 0.852 2942 S HN 0.337 nan 8.310 nan 0.000 0.457 2943 L N 1.715 122.885 121.223 -0.087 0.000 2.013 2943 L HA -0.120 4.243 4.340 0.037 0.000 0.212 2943 L C 2.604 179.385 176.870 -0.148 0.000 1.073 2943 L CA 1.938 56.675 54.840 -0.172 0.000 0.753 2943 L CB -1.312 40.579 42.059 -0.279 0.000 0.890 2943 L HN 0.325 nan 8.230 nan 0.000 0.432 2944 A N -1.246 121.517 122.820 -0.096 0.000 1.978 2944 A HA -0.219 4.123 4.320 0.037 0.000 0.220 2944 A C 2.144 179.725 177.584 -0.004 0.000 1.170 2944 A CA 1.623 53.636 52.037 -0.039 0.000 0.636 2944 A CB -0.451 18.550 19.000 0.002 0.000 0.810 2944 A HN 0.458 nan 8.150 nan 0.000 0.448 2945 K N -0.412 119.984 120.400 -0.007 0.000 2.444 2945 K HA 0.283 4.625 4.320 0.037 0.000 0.193 2945 K C 1.449 178.053 176.600 0.006 0.000 1.024 2945 K CA 0.423 56.716 56.287 0.009 0.000 1.077 2945 K CB 0.059 32.564 32.500 0.007 0.000 0.833 2945 K HN 0.416 nan 8.250 nan 0.000 0.517 2946 A N 0.766 123.583 122.820 -0.005 0.000 2.178 2946 A HA 0.075 4.417 4.320 0.037 0.000 0.211 2946 A C 0.581 178.178 177.584 0.022 0.000 1.157 2946 A CA 0.276 52.316 52.037 0.004 0.000 0.780 2946 A CB 0.377 19.374 19.000 -0.005 0.000 0.828 2946 A HN 0.110 nan 8.150 nan 0.000 0.476 2947 S N -1.944 113.773 115.700 0.027 0.000 2.669 2947 S HA 0.375 4.867 4.470 0.037 0.000 0.304 2947 S C -2.978 171.650 174.600 0.047 0.000 1.021 2947 S CA -0.523 57.701 58.200 0.040 0.000 0.854 2947 S CB 1.021 64.252 63.200 0.052 0.000 1.048 2947 S HN -0.084 nan 8.310 nan 0.000 0.452 2948 P HA 0.072 nan 4.420 nan 0.000 0.230 2948 P C 1.357 178.693 177.300 0.061 0.000 1.158 2948 P CA 0.198 63.331 63.100 0.055 0.000 0.769 2948 P CB 0.059 31.788 31.700 0.048 0.000 0.807 2949 R N -0.041 120.495 120.500 0.060 0.000 2.115 2949 R HA -0.018 4.344 4.340 0.037 0.000 0.226 2949 R C 0.110 176.458 176.300 0.080 0.000 1.100 2949 R CA 0.640 56.780 56.100 0.066 0.000 0.980 2949 R CB -0.396 29.939 30.300 0.058 0.000 0.875 2949 R HN 0.158 nan 8.270 nan 0.000 0.445 2950 N N 1.685 120.436 118.700 0.086 0.000 2.454 2950 N HA 0.001 4.763 4.740 0.037 0.000 0.254 2950 N C -0.672 174.876 175.510 0.064 0.000 1.228 2950 N CA 0.484 53.598 53.050 0.107 0.000 0.900 2950 N CB 0.628 39.172 38.487 0.094 0.000 1.089 2950 N HN 0.046 nan 8.380 nan 0.000 0.449 2951 R N 2.222 122.749 120.500 0.044 0.000 2.680 2951 R HA 0.314 4.676 4.340 0.037 0.000 0.278 2951 R C -0.915 175.311 176.300 -0.124 0.000 1.582 2951 R CA -0.611 55.437 56.100 -0.087 0.000 1.177 2951 R CB 0.195 30.413 30.300 -0.136 0.000 1.232 2951 R HN 0.489 nan 8.270 nan 0.000 0.528 2952 I N 3.066 123.570 120.570 -0.110 0.000 2.416 2952 I HA 0.181 4.374 4.170 0.037 0.000 0.288 2952 I C 0.414 176.398 176.117 -0.222 0.000 1.051 2952 I CA -0.501 60.737 61.300 -0.102 0.000 1.375 2952 I CB 0.612 38.548 38.000 -0.107 0.000 1.407 2952 I HN 0.242 nan 8.210 nan 0.000 0.516 2953 L N 8.599 129.690 121.223 -0.220 0.000 2.275 2953 L HA 0.677 5.040 4.340 0.037 0.000 0.288 2953 L C -0.660 176.022 176.870 -0.314 0.000 1.046 2953 L CA -0.100 54.568 54.840 -0.287 0.000 0.805 2953 L CB 1.169 43.098 42.059 -0.216 0.000 1.193 2953 L HN 0.366 nan 8.230 nan 0.000 0.426 2954 V N 5.491 125.088 119.914 -0.527 0.000 2.604 2954 V HA 0.636 4.778 4.120 0.037 0.000 0.305 2954 V C -0.705 175.145 176.094 -0.406 0.000 1.043 2954 V CA -0.694 61.282 62.300 -0.541 0.000 0.888 2954 V CB 1.999 33.269 31.823 -0.923 0.000 0.995 2954 V HN 0.552 nan 8.190 nan 0.000 0.429 2955 V N 2.033 121.831 119.914 -0.193 0.000 2.483 2955 V HA 0.460 4.602 4.120 0.037 0.000 0.297 2955 V C -0.432 175.650 176.094 -0.020 0.000 1.027 2955 V CA -0.501 61.748 62.300 -0.086 0.000 0.855 2955 V CB 1.480 33.270 31.823 -0.054 0.000 0.995 2955 V HN 0.929 nan 8.190 nan 0.000 0.424 2956 C N 3.534 122.853 119.300 0.031 0.000 2.281 2956 C HA 0.798 5.280 4.460 0.037 0.000 0.323 2956 C C 0.648 175.679 174.990 0.069 0.000 1.270 2956 C CA -0.284 58.766 59.018 0.055 0.000 1.559 2956 C CB 0.585 28.373 27.740 0.081 0.000 2.239 2956 C HN 0.997 nan 8.230 nan 0.000 0.488 2957 T N 3.214 117.804 114.554 0.061 0.000 2.928 2957 T HA 0.564 4.936 4.350 0.037 0.000 0.296 2957 T C -1.164 173.592 174.700 0.094 0.000 1.000 2957 T CA -0.269 61.869 62.100 0.064 0.000 0.989 2957 T CB 0.850 69.735 68.868 0.028 0.000 1.005 2957 T HN 0.722 nan 8.240 nan 0.000 0.442 2958 E N 3.145 123.399 120.200 0.091 0.000 2.314 2958 E HA 0.519 4.892 4.350 0.037 0.000 0.272 2958 E C -1.236 175.453 176.600 0.148 0.000 0.884 2958 E CA -0.879 55.598 56.400 0.129 0.000 0.753 2958 E CB 2.619 32.331 29.700 0.020 0.000 1.213 2958 E HN 0.474 nan 8.360 nan 0.000 0.432 2959 V N 2.144 122.220 119.914 0.271 0.000 2.357 2959 V HA 0.097 4.239 4.120 0.037 0.000 0.281 2959 V C 0.475 176.671 176.094 0.169 0.000 1.015 2959 V CA -0.470 61.958 62.300 0.213 0.000 0.827 2959 V CB 0.805 32.791 31.823 0.272 0.000 1.018 2959 V HN 0.908 nan 8.190 nan 0.000 0.432 2960 C N 1.285 120.639 119.300 0.090 0.000 2.527 2960 C HA -0.036 4.446 4.460 0.037 0.000 0.280 2960 C C 2.865 177.804 174.990 -0.085 0.000 1.353 2960 C CA 0.770 59.846 59.018 0.097 0.000 1.749 2960 C CB -0.417 27.372 27.740 0.082 0.000 2.088 2960 C HN 0.918 nan 8.230 nan 0.000 0.508 2961 S N 2.174 117.720 115.700 -0.256 0.000 2.420 2961 S HA -0.159 4.333 4.470 0.037 0.000 0.237 2961 S C 1.571 175.851 174.600 -0.534 0.000 1.023 2961 S CA 1.410 59.161 58.200 -0.749 0.000 0.991 2961 S CB -0.906 62.147 63.200 -0.247 0.000 0.792 2961 S HN 0.668 nan 8.310 nan 0.000 0.488 2962 L N 0.628 121.630 121.223 -0.368 0.000 2.275 2962 L HA -0.035 4.327 4.340 0.037 0.000 0.215 2962 L C 1.934 178.623 176.870 -0.302 0.000 1.119 2962 L CA 1.044 55.667 54.840 -0.360 0.000 0.790 2962 L CB -0.577 41.198 42.059 -0.474 0.000 0.919 2962 L HN 0.484 nan 8.230 nan 0.000 0.443 2963 H N -1.766 117.392 119.070 0.146 0.000 2.594 2963 H HA 0.182 4.763 4.556 0.041 0.000 0.279 2963 H C 0.261 175.855 175.328 0.443 0.000 1.042 2963 H CA -0.635 55.602 56.048 0.315 0.000 1.177 2963 H CB 0.121 30.162 29.762 0.464 0.000 1.524 2963 H HN 0.021 nan 8.280 nan 0.000 0.537 2964 F N 2.051 122.206 119.950 0.343 0.000 2.628 2964 F HA 0.107 4.662 4.527 0.047 0.000 0.362 2964 F C 1.277 177.218 175.800 0.235 0.000 1.148 2964 F CA -0.034 58.112 58.000 0.244 0.000 1.352 2964 F CB 0.378 39.394 39.000 0.027 0.000 1.081 2964 F HN -0.074 nan 8.300 nan 0.000 0.605 2965 S N 1.261 117.200 115.700 0.398 0.000 2.548 2965 S HA 0.452 4.944 4.470 0.037 0.000 0.286 2965 S C -0.265 174.404 174.600 0.114 0.000 1.098 2965 S CA -0.891 57.454 58.200 0.242 0.000 0.930 2965 S CB 0.885 64.219 63.200 0.224 0.000 1.070 2965 S HN 0.718 nan 8.310 nan 0.000 0.480 2966 N N 1.748 120.360 118.700 -0.147 0.000 2.538 2966 N HA 0.175 4.937 4.740 0.037 0.000 0.291 2966 N C 0.546 175.804 175.510 -0.421 0.000 1.323 2966 N CA -0.488 52.087 53.050 -0.792 0.000 0.934 2966 N CB 0.622 38.455 38.487 -1.091 0.000 1.255 2966 N HN 0.588 nan 8.380 nan 0.000 0.509 2967 T N -2.315 112.196 114.554 -0.072 0.000 3.753 2967 T HA 0.166 4.538 4.350 0.037 0.000 0.299 2967 T C -0.237 174.512 174.700 0.082 0.000 1.202 2967 T CA -0.040 62.059 62.100 -0.001 0.000 0.945 2967 T CB 0.426 69.320 68.868 0.042 0.000 2.279 2967 T HN -0.041 nan 8.240 nan 0.000 0.509 2968 D N 0.160 120.613 120.400 0.088 0.000 2.391 2968 D HA 0.604 5.266 4.640 0.037 0.000 0.245 2968 D C -0.069 176.297 176.300 0.110 0.000 1.069 2968 D CA 0.553 54.619 54.000 0.110 0.000 0.831 2968 D CB 1.184 42.028 40.800 0.075 0.000 1.204 2968 D HN 1.180 nan 8.370 nan 0.000 0.503 2969 G N 1.312 110.187 108.800 0.124 0.000 2.335 2969 G HA2 0.179 4.162 3.960 0.037 0.000 0.592 2969 G HA3 0.179 4.162 3.960 0.037 0.000 0.592 2969 G C 0.718 175.671 174.900 0.088 0.000 1.442 2969 G CA -0.121 45.032 45.100 0.088 0.000 0.976 2969 G HN 0.494 nan 8.290 nan 0.000 0.652 2970 G N 0.340 109.168 108.800 0.047 0.000 2.440 2970 G HA2 -0.122 3.861 3.960 0.037 0.000 0.218 2970 G HA3 -0.122 3.861 3.960 0.037 0.000 0.218 2970 G C 1.528 176.440 174.900 0.020 0.000 1.154 2970 G CA 2.090 47.199 45.100 0.014 0.000 0.767 2970 G HN 1.248 nan 8.290 nan 0.000 0.552 2971 D N 0.295 120.724 120.400 0.047 0.000 2.221 2971 D HA -0.144 4.518 4.640 0.037 0.000 0.204 2971 D C 2.143 178.503 176.300 0.100 0.000 0.982 2971 D CA 1.240 55.279 54.000 0.065 0.000 0.857 2971 D CB -0.511 40.344 40.800 0.091 0.000 0.934 2971 D HN 0.309 nan 8.370 nan 0.000 0.475 2972 Q N -0.196 119.683 119.800 0.132 0.000 2.046 2972 Q HA 0.044 4.406 4.340 0.037 0.000 0.200 2972 Q C 2.433 178.522 176.000 0.150 0.000 0.975 2972 Q CA 1.294 57.215 55.803 0.197 0.000 0.836 2972 Q CB -0.247 28.651 28.738 0.267 0.000 0.896 2972 Q HN 0.391 nan 8.270 nan 0.000 0.428 2973 M N -1.037 118.595 119.600 0.052 0.000 2.086 2973 M HA -0.174 4.328 4.480 0.037 0.000 0.261 2973 M C 2.047 178.243 176.300 -0.174 0.000 1.067 2973 M CA 1.237 56.441 55.300 -0.160 0.000 1.116 2973 M CB -0.469 31.959 32.600 -0.287 0.000 1.348 2973 M HN 0.048 nan 8.290 nan 0.000 0.407 2974 V N 0.917 120.747 119.914 -0.141 0.000 2.255 2974 V HA -0.292 3.850 4.120 0.037 0.000 0.247 2974 V C 2.752 178.687 176.094 -0.265 0.000 1.051 2974 V CA 2.189 64.365 62.300 -0.207 0.000 1.018 2974 V CB -1.462 30.279 31.823 -0.137 0.000 0.641 2974 V HN 0.552 nan 8.190 nan 0.000 0.445 2975 A N 0.826 123.587 122.820 -0.098 0.000 1.948 2975 A HA -0.251 4.092 4.320 0.037 0.000 0.220 2975 A C 2.457 179.925 177.584 -0.193 0.000 1.177 2975 A CA 2.524 54.604 52.037 0.072 0.000 0.636 2975 A CB -0.815 18.437 19.000 0.419 0.000 0.815 2975 A HN 0.749 nan 8.150 nan 0.000 0.449 2976 S N -0.361 115.076 115.700 -0.437 0.000 2.561 2976 S HA -0.036 4.456 4.470 0.037 0.000 0.225 2976 S C 1.685 175.828 174.600 -0.763 0.000 0.977 2976 S CA 1.271 58.876 58.200 -0.992 0.000 0.926 2976 S CB -0.426 62.476 63.200 -0.496 0.000 0.769 2976 S HN 0.919 nan 8.310 nan 0.000 0.533 2977 S N 1.489 116.743 115.700 -0.743 0.000 2.497 2977 S HA 0.246 4.738 4.470 0.037 0.000 0.218 2977 S C 1.648 175.855 174.600 -0.655 0.000 1.023 2977 S CA 0.072 57.599 58.200 -1.121 0.000 0.913 2977 S CB -0.643 61.734 63.200 -1.371 0.000 0.800 2977 S HN 0.786 nan 8.310 nan 0.000 0.505 2978 I N -3.320 116.943 120.570 -0.511 0.000 4.032 2978 I HA 0.516 4.708 4.170 0.037 0.000 0.313 2978 I C -0.478 175.450 176.117 -0.316 0.000 1.272 2978 I CA -0.558 60.484 61.300 -0.429 0.000 1.307 2978 I CB -0.049 37.661 38.000 -0.484 0.000 1.155 2978 I HN -0.047 nan 8.210 nan 0.000 0.431 2979 F N 3.051 122.990 119.950 -0.018 0.000 2.429 2979 F HA 0.694 5.241 4.527 0.032 0.000 0.348 2979 F C 0.683 176.619 175.800 0.228 0.000 1.109 2979 F CA -0.295 57.779 58.000 0.122 0.000 1.232 2979 F CB 0.991 40.126 39.000 0.226 0.000 1.157 2979 F HN 0.108 nan 8.300 nan 0.000 0.564 2980 A N 1.742 124.781 122.820 0.366 0.000 2.552 2980 A HA 0.711 5.053 4.320 0.037 0.000 0.288 2980 A C -1.579 176.108 177.584 0.172 0.000 1.193 2980 A CA -0.914 51.277 52.037 0.256 0.000 0.713 2980 A CB 1.304 20.412 19.000 0.179 0.000 1.305 2980 A HN 0.556 nan 8.150 nan 0.000 0.424 2981 D N -0.479 120.002 120.400 0.135 0.000 2.252 2981 D HA 0.680 5.342 4.640 0.037 0.000 0.245 2981 D C 0.027 176.349 176.300 0.037 0.000 1.009 2981 D CA 0.261 54.312 54.000 0.085 0.000 0.870 2981 D CB 1.900 42.754 40.800 0.090 0.000 1.251 2981 D HN 1.089 nan 8.370 nan 0.000 0.460 2982 G N -0.836 107.969 108.800 0.008 0.000 2.451 2982 G HA2 0.450 4.432 3.960 0.037 0.000 0.292 2982 G HA3 0.450 4.432 3.960 0.037 0.000 0.292 2982 G C -1.681 173.276 174.900 0.096 0.000 1.427 2982 G CA -0.569 44.535 45.100 0.008 0.000 0.792 2982 G HN 0.397 nan 8.290 nan 0.000 0.498 2983 S N -1.312 114.527 115.700 0.232 0.000 2.548 2983 S HA 0.860 5.352 4.470 0.037 0.000 0.276 2983 S C -0.587 174.158 174.600 0.241 0.000 1.129 2983 S CA 0.340 58.652 58.200 0.186 0.000 0.931 2983 S CB 1.326 64.574 63.200 0.080 0.000 1.068 2983 S HN 2.123 nan 8.310 nan 0.000 0.480 2984 A N 2.659 125.588 122.820 0.181 0.000 2.422 2984 A HA 0.952 5.294 4.320 0.037 0.000 0.302 2984 A C -0.519 177.107 177.584 0.070 0.000 1.041 2984 A CA -0.329 51.755 52.037 0.078 0.000 0.708 2984 A CB 1.451 20.548 19.000 0.161 0.000 1.257 2984 A HN 1.421 nan 8.150 nan 0.000 0.414 2985 A N 1.134 123.972 122.820 0.030 0.000 2.469 2985 A HA 0.980 5.322 4.320 0.037 0.000 0.299 2985 A C -1.069 176.561 177.584 0.076 0.000 1.098 2985 A CA -0.545 51.486 52.037 -0.009 0.000 0.737 2985 A CB 1.137 20.099 19.000 -0.062 0.000 1.312 2985 A HN 2.000 nan 8.150 nan 0.000 0.414 2986 Y N -0.397 119.876 120.300 -0.046 0.000 2.581 2986 Y HA 0.763 5.333 4.550 0.034 0.000 0.337 2986 Y C -1.203 174.641 175.900 -0.094 0.000 1.108 2986 Y CA -1.641 56.431 58.100 -0.047 0.000 1.033 2986 Y CB 0.921 39.362 38.460 -0.032 0.000 1.318 2986 Y HN 0.445 nan 8.280 nan 0.000 0.459 2987 I N 4.582 125.153 120.570 0.001 0.000 2.437 2987 I HA 0.543 4.735 4.170 0.037 0.000 0.298 2987 I C -0.400 175.694 176.117 -0.038 0.000 0.984 2987 I CA -0.911 60.250 61.300 -0.232 0.000 1.214 2987 I CB 1.488 39.134 38.000 -0.589 0.000 1.365 2987 I HN 0.869 nan 8.210 nan 0.000 0.469 2988 I N 3.380 123.904 120.570 -0.076 0.000 2.722 2988 I HA 0.805 4.997 4.170 0.037 0.000 0.295 2988 I C -0.640 175.480 176.117 0.005 0.000 1.161 2988 I CA -0.024 61.309 61.300 0.055 0.000 1.032 2988 I CB 2.301 40.401 38.000 0.166 0.000 1.244 2988 I HN 0.701 nan 8.210 nan 0.000 0.421 2989 G N 4.971 113.821 108.800 0.083 0.000 2.506 2989 G HA2 0.494 4.476 3.960 0.037 0.000 0.292 2989 G HA3 0.494 4.476 3.960 0.037 0.000 0.292 2989 G C -2.007 172.991 174.900 0.163 0.000 1.425 2989 G CA -0.469 44.681 45.100 0.084 0.000 0.788 2989 G HN 0.712 nan 8.290 nan 0.000 0.490 2990 C N 0.297 119.678 119.300 0.135 0.000 2.399 2990 C HA 0.698 5.180 4.460 0.037 0.000 0.348 2990 C C 0.047 175.107 174.990 0.117 0.000 1.183 2990 C CA -0.546 58.576 59.018 0.173 0.000 2.023 2990 C CB 0.783 28.597 27.740 0.124 0.000 2.361 2990 C HN 0.847 nan 8.230 nan 0.000 0.521 2991 N N 1.175 119.938 118.700 0.104 0.000 2.537 2991 N HA -0.118 4.644 4.740 0.037 0.000 0.286 2991 N C -2.722 172.764 175.510 -0.040 0.000 1.245 2991 N CA 0.218 53.277 53.050 0.014 0.000 0.704 2991 N CB -0.986 37.522 38.487 0.034 0.000 0.910 2991 N HN 0.496 nan 8.380 nan 0.000 0.542 2992 P HA 0.024 nan 4.420 nan 0.000 0.267 2992 P C 0.406 177.665 177.300 -0.068 0.000 1.201 2992 P CA 0.418 63.426 63.100 -0.153 0.000 0.775 2992 P CB 0.670 32.160 31.700 -0.351 0.000 0.854 2993 R N 1.672 122.164 120.500 -0.013 0.000 2.674 2993 R HA 0.408 4.771 4.340 0.037 0.000 0.266 2993 R C 1.825 178.107 176.300 -0.029 0.000 1.016 2993 R CA -0.888 55.208 56.100 -0.006 0.000 1.062 2993 R CB 0.591 30.909 30.300 0.031 0.000 1.142 2993 R HN 0.374 nan 8.270 nan 0.000 0.517 2994 I N 0.621 121.172 120.570 -0.031 0.000 2.182 2994 I HA -0.341 3.851 4.170 0.037 0.000 0.248 2994 I C 0.996 177.083 176.117 -0.050 0.000 1.073 2994 I CA 1.538 62.814 61.300 -0.040 0.000 1.335 2994 I CB -0.362 37.616 38.000 -0.036 0.000 1.031 2994 I HN 0.534 nan 8.210 nan 0.000 0.420 2995 E N 0.968 121.131 120.200 -0.062 0.000 2.476 2995 E HA 0.185 4.557 4.350 0.037 0.000 0.196 2995 E C 0.027 176.572 176.600 -0.092 0.000 1.029 2995 E CA 0.105 56.455 56.400 -0.084 0.000 0.896 2995 E CB 0.115 29.747 29.700 -0.114 0.000 1.012 2995 E HN 0.615 nan 8.360 nan 0.000 0.475 2996 E N 1.106 121.273 120.200 -0.054 0.000 2.249 2996 E HA 0.219 4.592 4.350 0.037 0.000 0.280 2996 E C -0.068 176.526 176.600 -0.009 0.000 1.016 2996 E CA -0.214 56.181 56.400 -0.009 0.000 0.830 2996 E CB 1.413 31.163 29.700 0.083 0.000 1.081 2996 E HN -0.141 nan 8.360 nan 0.000 0.395 2997 T N 2.505 117.069 114.554 0.017 0.000 3.060 2997 T HA 0.326 4.698 4.350 0.037 0.000 0.367 2997 T C -2.565 172.154 174.700 0.033 0.000 1.229 2997 T CA -2.438 59.663 62.100 0.002 0.000 1.104 2997 T CB 0.361 69.224 68.868 -0.009 0.000 1.083 2997 T HN 0.077 nan 8.240 nan 0.000 0.524 2998 P HA 0.120 nan 4.420 nan 0.000 0.264 2998 P C 0.422 177.763 177.300 0.068 0.000 1.179 2998 P CA -0.089 63.061 63.100 0.083 0.000 0.763 2998 P CB 0.654 32.367 31.700 0.022 0.000 0.806 2999 L N 1.084 122.365 121.223 0.097 0.000 2.433 2999 L HA 0.207 4.569 4.340 0.037 0.000 0.200 2999 L C 0.047 176.738 176.870 -0.298 0.000 1.059 2999 L CA 0.577 55.364 54.840 -0.089 0.000 0.835 2999 L CB -0.015 42.056 42.059 0.020 0.000 1.076 2999 L HN 0.346 nan 8.230 nan 0.000 0.481 3000 Y N -0.737 119.614 120.300 0.084 0.000 2.504 3000 Y HA 0.320 4.891 4.550 0.036 0.000 0.344 3000 Y C -0.484 175.389 175.900 -0.045 0.000 1.023 3000 Y CA -1.004 57.099 58.100 0.005 0.000 1.020 3000 Y CB 1.740 40.159 38.460 -0.068 0.000 1.282 3000 Y HN -0.147 nan 8.280 nan 0.000 0.454 3001 E N 2.352 122.541 120.200 -0.019 0.000 2.055 3001 E HA 0.340 4.712 4.350 0.037 0.000 0.274 3001 E C -1.277 175.150 176.600 -0.289 0.000 0.949 3001 E CA -0.584 55.516 56.400 -0.500 0.000 0.775 3001 E CB 1.304 30.723 29.700 -0.467 0.000 1.097 3001 E HN 0.535 nan 8.360 nan 0.000 0.404 3002 V N 7.537 127.270 119.914 -0.301 0.000 2.364 3002 V HA 0.046 4.188 4.120 0.037 0.000 0.252 3002 V C 0.889 176.903 176.094 -0.132 0.000 1.075 3002 V CA 0.274 62.477 62.300 -0.161 0.000 1.033 3002 V CB -0.038 31.706 31.823 -0.131 0.000 1.116 3002 V HN 0.922 nan 8.190 nan 0.000 0.488 3003 M N 5.489 125.066 119.600 -0.038 0.000 2.099 3003 M HA 0.108 4.610 4.480 0.037 0.000 0.262 3003 M C 0.857 177.152 176.300 -0.008 0.000 1.067 3003 M CA 1.616 56.920 55.300 0.005 0.000 1.124 3003 M CB -0.163 32.519 32.600 0.137 0.000 1.353 3003 M HN 0.849 nan 8.290 nan 0.000 0.410 3004 C N -1.813 117.496 119.300 0.016 0.000 3.307 3004 C HA 0.781 5.263 4.460 0.037 0.000 0.333 3004 C C -0.853 174.133 174.990 -0.008 0.000 1.291 3004 C CA -1.264 57.742 59.018 -0.020 0.000 1.273 3004 C CB 1.349 29.052 27.740 -0.060 0.000 1.580 3004 C HN 0.486 nan 8.230 nan 0.000 0.481 3005 S N 0.819 116.504 115.700 -0.025 0.000 2.537 3005 S HA 0.869 5.361 4.470 0.037 0.000 0.270 3005 S C -0.880 173.712 174.600 -0.012 0.000 1.142 3005 S CA -0.388 57.803 58.200 -0.014 0.000 0.870 3005 S CB 1.249 64.441 63.200 -0.013 0.000 1.112 3005 S HN 2.032 nan 8.310 nan 0.000 0.466 3006 I N -0.865 119.711 120.570 0.010 0.000 3.343 3006 I HA 0.778 4.970 4.170 0.037 0.000 0.315 3006 I C -1.238 174.993 176.117 0.190 0.000 1.153 3006 I CA -1.320 60.002 61.300 0.036 0.000 0.952 3006 I CB 2.238 40.197 38.000 -0.069 0.000 1.287 3006 I HN 1.001 nan 8.210 nan 0.000 0.472 3007 N N 0.792 119.629 118.700 0.228 0.000 2.484 3007 N HA 0.653 5.415 4.740 0.037 0.000 0.269 3007 N C -1.501 174.173 175.510 0.272 0.000 1.237 3007 N CA -1.040 52.197 53.050 0.311 0.000 0.838 3007 N CB 2.594 41.167 38.487 0.144 0.000 1.593 3007 N HN 0.754 nan 8.380 nan 0.000 0.485 3008 R N 0.493 121.100 120.500 0.178 0.000 2.744 3008 R HA 0.527 4.889 4.340 0.037 0.000 0.279 3008 R C -1.468 174.601 176.300 -0.386 0.000 0.977 3008 R CA -0.445 55.577 56.100 -0.130 0.000 0.906 3008 R CB 1.934 32.121 30.300 -0.189 0.000 1.197 3008 R HN 0.799 nan 8.270 nan 0.000 0.463 3009 S N 2.337 117.737 115.700 -0.501 0.000 2.532 3009 S HA 0.659 5.152 4.470 0.037 0.000 0.301 3009 S C -1.045 173.152 174.600 -0.671 0.000 1.083 3009 S CA -0.680 57.279 58.200 -0.401 0.000 1.025 3009 S CB 0.996 64.088 63.200 -0.180 0.000 1.056 3009 S HN 0.350 nan 8.310 nan 0.000 0.494 3010 F N 1.534 121.379 119.950 -0.174 0.000 2.460 3010 F HA 0.516 5.065 4.527 0.036 0.000 0.341 3010 F C -2.418 173.330 175.800 -0.087 0.000 1.130 3010 F CA -2.067 55.839 58.000 -0.156 0.000 0.962 3010 F CB 1.508 40.376 39.000 -0.220 0.000 1.171 3010 F HN 0.374 nan 8.300 nan 0.000 0.436 3011 P HA 0.071 nan 4.420 nan 0.000 0.270 3011 P C -0.325 177.008 177.300 0.055 0.000 1.223 3011 P CA -0.008 63.117 63.100 0.040 0.000 0.785 3011 P CB 0.392 32.101 31.700 0.015 0.000 0.923 3012 N N -0.691 118.031 118.700 0.037 0.000 2.727 3012 N HA -0.149 4.614 4.740 0.037 0.000 0.249 3012 N C -0.030 175.500 175.510 0.034 0.000 1.048 3012 N CA 1.530 54.599 53.050 0.031 0.000 0.714 3012 N CB -2.090 36.413 38.487 0.026 0.000 0.959 3012 N HN 0.663 nan 8.380 nan 0.000 0.544 3013 T N -5.183 109.396 114.554 0.042 0.000 3.488 3013 T HA 0.168 4.540 4.350 0.037 0.000 0.312 3013 T C 0.908 175.635 174.700 0.045 0.000 0.931 3013 T CA -0.413 61.709 62.100 0.037 0.000 0.982 3013 T CB 0.323 69.211 68.868 0.034 0.000 1.198 3013 T HN 0.114 nan 8.240 nan 0.000 0.545 3014 E N 1.935 122.163 120.200 0.046 0.000 2.209 3014 E HA -0.093 4.279 4.350 0.037 0.000 0.196 3014 E C 1.243 177.877 176.600 0.056 0.000 0.993 3014 E CA 0.878 57.309 56.400 0.051 0.000 0.819 3014 E CB -0.061 29.666 29.700 0.045 0.000 0.745 3014 E HN 0.459 nan 8.360 nan 0.000 0.477 3015 N N 0.155 118.884 118.700 0.048 0.000 2.398 3015 N HA 0.050 4.812 4.740 0.037 0.000 0.188 3015 N C 1.291 176.834 175.510 0.055 0.000 1.122 3015 N CA 0.498 53.580 53.050 0.052 0.000 0.866 3015 N CB 0.325 38.838 38.487 0.043 0.000 0.970 3015 N HN 0.094 nan 8.380 nan 0.000 0.462 3016 A N 0.666 123.515 122.820 0.049 0.000 1.908 3016 A HA -0.028 4.314 4.320 0.037 0.000 0.218 3016 A C 1.021 178.644 177.584 0.065 0.000 1.181 3016 A CA 1.106 53.169 52.037 0.044 0.000 0.627 3016 A CB -0.068 18.951 19.000 0.031 0.000 0.818 3016 A HN 0.218 nan 8.150 nan 0.000 0.445 3017 M N 0.046 119.695 119.600 0.082 0.000 2.197 3017 M HA 0.449 4.951 4.480 0.037 0.000 0.301 3017 M C -1.603 174.775 176.300 0.130 0.000 0.987 3017 M CA -0.313 55.050 55.300 0.106 0.000 0.921 3017 M CB 2.567 35.226 32.600 0.099 0.000 1.569 3017 M HN -0.079 nan 8.290 nan 0.000 0.431 3018 V N 2.518 122.531 119.914 0.166 0.000 2.628 3018 V HA 0.478 4.621 4.120 0.037 0.000 0.306 3018 V C -1.125 175.176 176.094 0.345 0.000 1.045 3018 V CA -0.443 61.978 62.300 0.202 0.000 0.905 3018 V CB 2.379 34.294 31.823 0.153 0.000 0.997 3018 V HN 0.969 nan 8.190 nan 0.000 0.436 3019 W N 4.417 125.757 121.300 0.068 0.000 1.982 3019 W HA 0.346 5.026 4.660 0.034 0.000 0.299 3019 W C -1.312 175.335 176.519 0.212 0.000 1.011 3019 W CA -0.563 56.839 57.345 0.095 0.000 1.324 3019 W CB 1.307 30.754 29.460 -0.022 0.000 1.372 3019 W HN 0.570 nan 8.180 nan 0.000 0.323 3020 D N 3.611 124.029 120.400 0.030 0.000 2.210 3020 D HA 0.166 4.828 4.640 0.037 0.000 0.249 3020 D C -0.228 175.910 176.300 -0.271 0.000 1.078 3020 D CA -0.336 53.630 54.000 -0.056 0.000 0.875 3020 D CB 2.880 43.653 40.800 -0.045 0.000 1.175 3020 D HN 0.275 nan 8.370 nan 0.000 0.440 3021 L N 2.503 123.508 121.223 -0.363 0.000 2.315 3021 L HA 0.211 4.573 4.340 0.037 0.000 0.283 3021 L C -0.200 176.374 176.870 -0.493 0.000 1.089 3021 L CA 0.492 54.874 54.840 -0.764 0.000 0.833 3021 L CB 0.138 41.769 42.059 -0.715 0.000 1.170 3021 L HN 0.276 nan 8.230 nan 0.000 0.442 3022 E N 3.261 123.153 120.200 -0.514 0.000 2.393 3022 E HA 0.233 4.605 4.350 0.037 0.000 0.273 3022 E C -0.082 176.340 176.600 -0.297 0.000 0.918 3022 E CA -0.689 55.522 56.400 -0.314 0.000 0.773 3022 E CB 1.753 31.323 29.700 -0.216 0.000 1.275 3022 E HN 0.587 nan 8.360 nan 0.000 0.451 3023 K N 0.584 120.865 120.400 -0.198 0.000 2.113 3023 K HA -0.237 4.105 4.320 0.037 0.000 0.208 3023 K C 0.976 177.493 176.600 -0.139 0.000 1.047 3023 K CA 1.780 57.972 56.287 -0.158 0.000 0.928 3023 K CB -0.075 32.362 32.500 -0.105 0.000 0.716 3023 K HN 0.277 nan 8.250 nan 0.000 0.446 3024 E N 0.803 120.933 120.200 -0.117 0.000 2.347 3024 E HA 0.085 4.457 4.350 0.037 0.000 0.196 3024 E C 0.827 177.382 176.600 -0.076 0.000 1.008 3024 E CA 0.818 57.177 56.400 -0.069 0.000 0.852 3024 E CB 0.324 30.005 29.700 -0.032 0.000 0.783 3024 E HN 0.616 nan 8.360 nan 0.000 0.505 3025 G N -0.744 107.948 108.800 -0.180 0.000 2.325 3025 G HA2 -0.030 3.953 3.960 0.037 0.000 0.285 3025 G HA3 -0.030 3.953 3.960 0.037 0.000 0.285 3025 G C -1.709 172.939 174.900 -0.420 0.000 1.303 3025 G CA -0.912 44.053 45.100 -0.225 0.000 0.970 3025 G HN 0.078 nan 8.290 nan 0.000 0.490 3026 W N 1.096 122.123 121.300 -0.454 0.000 2.304 3026 W HA 0.547 5.230 4.660 0.039 0.000 0.313 3026 W C 0.532 176.701 176.519 -0.583 0.000 1.323 3026 W CA -0.313 56.508 57.345 -0.873 0.000 1.223 3026 W CB 0.805 29.060 29.460 -2.008 0.000 1.237 3026 W HN 0.476 nan 8.180 nan 0.000 0.535 3027 N N 4.388 122.946 118.700 -0.235 0.000 2.437 3027 N HA 0.183 4.945 4.740 0.037 0.000 0.243 3027 N C -1.186 174.378 175.510 0.090 0.000 1.041 3027 N CA -0.404 52.620 53.050 -0.042 0.000 0.940 3027 N CB 0.376 38.841 38.487 -0.036 0.000 1.133 3027 N HN 0.503 nan 8.380 nan 0.000 0.506 3028 L N 2.588 123.949 121.223 0.230 0.000 2.399 3028 L HA 0.730 5.092 4.340 0.037 0.000 0.266 3028 L C 0.386 177.402 176.870 0.243 0.000 1.114 3028 L CA -0.145 54.917 54.840 0.371 0.000 0.804 3028 L CB 1.049 43.384 42.059 0.460 0.000 1.146 3028 L HN 0.588 nan 8.230 nan 0.000 0.451 3029 G N 4.577 113.516 108.800 0.232 0.000 2.513 3029 G HA2 0.520 4.502 3.960 0.037 0.000 0.282 3029 G HA3 0.520 4.502 3.960 0.037 0.000 0.282 3029 G C -2.118 172.871 174.900 0.149 0.000 1.397 3029 G CA -0.408 44.790 45.100 0.164 0.000 1.291 3029 G HN 0.340 nan 8.290 nan 0.000 0.596 3030 L N 2.218 123.520 121.223 0.130 0.000 2.316 3030 L HA 0.432 4.794 4.340 0.037 0.000 0.280 3030 L C -0.121 176.787 176.870 0.063 0.000 1.006 3030 L CA -0.960 53.943 54.840 0.105 0.000 0.836 3030 L CB 1.491 43.620 42.059 0.117 0.000 1.221 3030 L HN 0.577 nan 8.230 nan 0.000 0.418 3031 D N 1.848 122.277 120.400 0.047 0.000 2.424 3031 D HA 0.304 4.966 4.640 0.037 0.000 0.244 3031 D C 1.080 177.382 176.300 0.004 0.000 1.134 3031 D CA 0.419 54.433 54.000 0.024 0.000 0.881 3031 D CB 1.553 42.364 40.800 0.018 0.000 1.191 3031 D HN 0.659 nan 8.370 nan 0.000 0.445 3032 A N 2.367 125.186 122.820 -0.003 0.000 2.125 3032 A HA -0.128 4.214 4.320 0.037 0.000 0.219 3032 A C 1.979 179.543 177.584 -0.032 0.000 1.156 3032 A CA 1.609 53.635 52.037 -0.018 0.000 0.671 3032 A CB -0.527 18.464 19.000 -0.015 0.000 0.794 3032 A HN 0.558 nan 8.150 nan 0.000 0.459 3033 S N -0.375 115.307 115.700 -0.030 0.000 2.496 3033 S HA 0.018 4.510 4.470 0.037 0.000 0.224 3033 S C 1.713 176.273 174.600 -0.066 0.000 0.996 3033 S CA 0.645 58.818 58.200 -0.045 0.000 0.927 3033 S CB -0.697 62.481 63.200 -0.037 0.000 0.774 3033 S HN 0.483 nan 8.310 nan 0.000 0.524 3034 I N 2.703 123.237 120.570 -0.060 0.000 2.091 3034 I HA -0.192 4.000 4.170 0.037 0.000 0.240 3034 I C -0.602 175.431 176.117 -0.140 0.000 1.046 3034 I CA 1.744 62.994 61.300 -0.083 0.000 1.306 3034 I CB -1.676 36.293 38.000 -0.052 0.000 1.018 3034 I HN 0.268 nan 8.210 nan 0.000 0.404 3035 P HA -0.237 nan 4.420 nan 0.000 0.213 3035 P C 1.873 179.068 177.300 -0.175 0.000 1.176 3035 P CA 1.621 64.616 63.100 -0.176 0.000 0.919 3035 P CB -0.073 31.548 31.700 -0.131 0.000 0.791 3036 I N -0.956 119.539 120.570 -0.125 0.000 2.394 3036 I HA -0.156 4.036 4.170 0.037 0.000 0.251 3036 I C 1.802 177.850 176.117 -0.114 0.000 1.136 3036 I CA 1.466 62.703 61.300 -0.106 0.000 1.425 3036 I CB -0.699 37.256 38.000 -0.075 0.000 1.079 3036 I HN -0.254 nan 8.210 nan 0.000 0.425 3037 V N 0.680 120.519 119.914 -0.126 0.000 2.490 3037 V HA -0.248 3.894 4.120 0.037 0.000 0.250 3037 V C 2.448 178.449 176.094 -0.156 0.000 1.061 3037 V CA 2.079 64.291 62.300 -0.147 0.000 1.064 3037 V CB -0.633 31.092 31.823 -0.164 0.000 0.670 3037 V HN 0.422 nan 8.190 nan 0.000 0.461 3038 I N 0.588 121.037 120.570 -0.200 0.000 2.193 3038 I HA -0.079 4.113 4.170 0.037 0.000 0.240 3038 I C 2.648 178.625 176.117 -0.233 0.000 1.084 3038 I CA 1.572 62.690 61.300 -0.305 0.000 1.365 3038 I CB -0.864 36.739 38.000 -0.662 0.000 1.064 3038 I HN 0.371 nan 8.210 nan 0.000 0.410 3039 G N 0.409 109.086 108.800 -0.204 0.000 2.469 3039 G HA2 -0.314 3.668 3.960 0.037 0.000 0.220 3039 G HA3 -0.314 3.668 3.960 0.037 0.000 0.220 3039 G C 1.743 176.609 174.900 -0.056 0.000 1.136 3039 G CA 1.271 46.293 45.100 -0.129 0.000 0.759 3039 G HN 0.513 nan 8.290 nan 0.000 0.562 3040 S N -0.332 115.340 115.700 -0.046 0.000 2.489 3040 S HA 0.225 4.717 4.470 0.037 0.000 0.228 3040 S C 2.098 176.731 174.600 0.055 0.000 0.995 3040 S CA 1.102 59.300 58.200 -0.003 0.000 0.934 3040 S CB 0.137 63.325 63.200 -0.020 0.000 0.771 3040 S HN 0.435 nan 8.310 nan 0.000 0.522 3041 G N 0.286 109.143 108.800 0.096 0.000 3.062 3041 G HA2 0.240 4.222 3.960 0.037 0.000 0.228 3041 G HA3 0.240 4.222 3.960 0.037 0.000 0.228 3041 G C 0.979 176.157 174.900 0.462 0.000 1.094 3041 G CA -0.009 45.249 45.100 0.263 0.000 0.782 3041 G HN 0.378 nan 8.290 nan 0.000 0.541 3042 I N 1.469 122.199 120.570 0.267 0.000 2.179 3042 I HA -0.082 4.110 4.170 0.037 0.000 0.242 3042 I C 2.407 178.713 176.117 0.315 0.000 1.088 3042 I CA 1.325 62.764 61.300 0.232 0.000 1.357 3042 I CB -0.209 37.796 38.000 0.009 0.000 1.051 3042 I HN 0.361 nan 8.210 nan 0.000 0.409 3043 E N 0.253 120.582 120.200 0.214 0.000 2.031 3043 E HA -0.248 4.124 4.350 0.037 0.000 0.193 3043 E C 2.227 178.952 176.600 0.209 0.000 0.994 3043 E CA 1.437 57.948 56.400 0.185 0.000 0.800 3043 E CB -0.232 29.539 29.700 0.118 0.000 0.752 3043 E HN 0.512 nan 8.360 nan 0.000 0.447 3044 A N 0.536 123.490 122.820 0.223 0.000 1.940 3044 A HA -0.207 4.135 4.320 0.037 0.000 0.219 3044 A C 2.030 179.764 177.584 0.250 0.000 1.176 3044 A CA 1.489 53.647 52.037 0.202 0.000 0.631 3044 A CB -0.934 18.188 19.000 0.203 0.000 0.814 3044 A HN 0.539 nan 8.150 nan 0.000 0.446 3045 F N 0.591 120.677 119.950 0.228 0.000 2.084 3045 F HA -0.144 4.405 4.527 0.037 0.000 0.296 3045 F C 2.180 178.090 175.800 0.184 0.000 1.111 3045 F CA 1.991 60.145 58.000 0.257 0.000 1.224 3045 F CB -0.108 39.187 39.000 0.492 0.000 0.991 3045 F HN 0.025 nan 8.300 nan 0.000 0.471 3046 V N 0.337 120.392 119.914 0.236 0.000 2.720 3046 V HA -0.284 3.858 4.120 0.037 0.000 0.256 3046 V C 1.757 177.855 176.094 0.006 0.000 1.082 3046 V CA 1.967 64.330 62.300 0.106 0.000 1.101 3046 V CB -0.781 31.185 31.823 0.239 0.000 0.693 3046 V HN 0.341 nan 8.190 nan 0.000 0.479 3047 D N -0.043 120.372 120.400 0.026 0.000 2.123 3047 D HA -0.093 4.569 4.640 0.037 0.000 0.200 3047 D C 2.348 178.600 176.300 -0.079 0.000 0.976 3047 D CA 1.617 55.611 54.000 -0.009 0.000 0.831 3047 D CB -0.285 40.531 40.800 0.026 0.000 0.974 3047 D HN 0.369 nan 8.370 nan 0.000 0.469 3048 T N 1.159 115.644 114.554 -0.115 0.000 2.788 3048 T HA -0.121 4.251 4.350 0.037 0.000 0.268 3048 T C 1.873 176.437 174.700 -0.226 0.000 1.044 3048 T CA 0.471 62.475 62.100 -0.159 0.000 1.139 3048 T CB -0.178 68.588 68.868 -0.169 0.000 0.867 3048 T HN 0.036 nan 8.240 nan 0.000 0.454 3049 L N 0.837 121.878 121.223 -0.303 0.000 2.056 3049 L HA 0.127 4.489 4.340 0.037 0.000 0.207 3049 L C 2.114 178.828 176.870 -0.259 0.000 1.078 3049 L CA 1.486 56.159 54.840 -0.279 0.000 0.749 3049 L CB -0.632 41.264 42.059 -0.272 0.000 0.901 3049 L HN 0.220 nan 8.230 nan 0.000 0.433 3050 L N -0.562 120.527 121.223 -0.223 0.000 2.083 3050 L HA -0.208 4.154 4.340 0.037 0.000 0.209 3050 L C 2.055 178.745 176.870 -0.300 0.000 1.083 3050 L CA 1.395 56.061 54.840 -0.290 0.000 0.752 3050 L CB -0.804 41.163 42.059 -0.153 0.000 0.899 3050 L HN 0.334 nan 8.230 nan 0.000 0.433 3051 D N -0.315 119.960 120.400 -0.208 0.000 2.178 3051 D HA -0.153 4.509 4.640 0.037 0.000 0.202 3051 D C 2.164 178.348 176.300 -0.194 0.000 0.974 3051 D CA 0.872 54.768 54.000 -0.173 0.000 0.841 3051 D CB -0.001 40.727 40.800 -0.120 0.000 0.953 3051 D HN 0.123 nan 8.370 nan 0.000 0.478 3052 K N 0.374 120.644 120.400 -0.216 0.000 2.103 3052 K HA 0.047 4.389 4.320 0.037 0.000 0.204 3052 K C 1.933 178.375 176.600 -0.264 0.000 1.052 3052 K CA 0.730 56.897 56.287 -0.200 0.000 0.945 3052 K CB 0.069 32.462 32.500 -0.177 0.000 0.722 3052 K HN 0.040 nan 8.250 nan 0.000 0.443 3053 A N 1.537 124.102 122.820 -0.426 0.000 1.898 3053 A HA -0.145 4.197 4.320 0.037 0.000 0.216 3053 A C 1.800 179.107 177.584 -0.462 0.000 1.181 3053 A CA 1.356 53.009 52.037 -0.639 0.000 0.620 3053 A CB -0.260 17.858 19.000 -1.469 0.000 0.819 3053 A HN 0.220 nan 8.150 nan 0.000 0.442 3054 K N -0.109 120.063 120.400 -0.380 0.000 2.519 3054 K HA 0.058 4.400 4.320 0.037 0.000 0.196 3054 K C 1.204 177.708 176.600 -0.161 0.000 1.041 3054 K CA 0.487 56.627 56.287 -0.244 0.000 0.954 3054 K CB -0.300 32.087 32.500 -0.189 0.000 0.774 3054 K HN 0.465 nan 8.250 nan 0.000 0.480 3055 L N 0.349 121.476 121.223 -0.160 0.000 2.478 3055 L HA -0.126 4.237 4.340 0.037 0.000 0.223 3055 L C 1.766 178.587 176.870 -0.082 0.000 1.140 3055 L CA 0.938 55.715 54.840 -0.105 0.000 0.842 3055 L CB -0.026 41.973 42.059 -0.099 0.000 0.953 3055 L HN 0.284 nan 8.230 nan 0.000 0.452 3056 Q N -1.892 117.849 119.800 -0.098 0.000 2.644 3056 Q HA 0.028 4.391 4.340 0.037 0.000 0.220 3056 Q C 1.070 177.052 176.000 -0.030 0.000 0.866 3056 Q CA 0.284 56.057 55.803 -0.051 0.000 0.915 3056 Q CB 0.349 29.061 28.738 -0.042 0.000 1.191 3056 Q HN 0.105 nan 8.270 nan 0.000 0.641 3057 T N 1.249 115.765 114.554 -0.063 0.000 3.688 3057 T HA 0.174 4.546 4.350 0.037 0.000 0.307 3057 T C -0.246 174.431 174.700 -0.038 0.000 1.382 3057 T CA -0.170 61.923 62.100 -0.011 0.000 1.136 3057 T CB -0.218 68.640 68.868 -0.017 0.000 1.207 3057 T HN -0.011 nan 8.240 nan 0.000 0.854 3058 S N 3.930 119.620 115.700 -0.018 0.000 3.399 3058 S HA 0.125 4.617 4.470 0.037 0.000 0.267 3058 S C 0.725 175.325 174.600 0.001 0.000 1.088 3058 S CA 0.030 58.217 58.200 -0.021 0.000 1.306 3058 S CB -0.463 62.730 63.200 -0.011 0.000 1.601 3058 S HN 0.829 nan 8.310 nan 0.000 0.558 3059 T N 0.918 115.468 114.554 -0.007 0.000 3.941 3059 T HA 0.278 4.651 4.350 0.037 0.000 0.320 3059 T C 0.306 175.011 174.700 0.008 0.000 0.912 3059 T CA -0.080 62.034 62.100 0.024 0.000 0.989 3059 T CB 0.247 69.163 68.868 0.079 0.000 1.177 3059 T HN 0.628 nan 8.240 nan 0.000 0.507 3060 A N 2.867 125.669 122.820 -0.031 0.000 1.896 3060 A HA -0.154 4.188 4.320 0.037 0.000 0.250 3060 A C 0.749 178.320 177.584 -0.022 0.000 1.254 3060 A CA 0.184 52.196 52.037 -0.042 0.000 0.757 3060 A CB -1.775 17.212 19.000 -0.021 0.000 1.154 3060 A HN 0.662 nan 8.150 nan 0.000 0.306 3061 I N -0.296 120.242 120.570 -0.055 0.000 3.003 3061 I HA 0.039 4.231 4.170 0.037 0.000 0.294 3061 I C 1.336 177.478 176.117 0.041 0.000 1.237 3061 I CA 1.038 62.344 61.300 0.010 0.000 1.417 3061 I CB 0.150 38.125 38.000 -0.042 0.000 1.340 3061 I HN 0.454 nan 8.210 nan 0.000 0.594 3062 S N 2.482 118.244 115.700 0.103 0.000 2.497 3062 S HA 0.376 4.868 4.470 0.037 0.000 0.218 3062 S C 1.284 175.975 174.600 0.152 0.000 1.023 3062 S CA 0.728 58.992 58.200 0.106 0.000 0.913 3062 S CB 0.042 63.303 63.200 0.100 0.000 0.800 3062 S HN 1.045 nan 8.310 nan 0.000 0.505 3063 A N 0.967 123.913 122.820 0.209 0.000 3.681 3063 A HA -0.207 4.135 4.320 0.037 0.000 0.238 3063 A C 1.421 179.221 177.584 0.360 0.000 0.760 3063 A CA 1.556 53.779 52.037 0.311 0.000 1.474 3063 A CB -1.877 17.318 19.000 0.324 0.000 1.081 3063 A HN 0.422 nan 8.150 nan 0.000 0.696 3064 K N -0.157 120.375 120.400 0.220 0.000 2.366 3064 K HA 0.011 4.353 4.320 0.037 0.000 0.198 3064 K C 0.237 176.940 176.600 0.170 0.000 1.044 3064 K CA 1.174 57.561 56.287 0.166 0.000 0.973 3064 K CB -0.087 32.475 32.500 0.103 0.000 0.767 3064 K HN 0.711 nan 8.250 nan 0.000 0.475 3065 D N -0.116 120.395 120.400 0.184 0.000 2.369 3065 D HA 0.037 4.699 4.640 0.037 0.000 0.211 3065 D C 0.200 176.610 176.300 0.182 0.000 1.077 3065 D CA 0.043 54.142 54.000 0.165 0.000 0.842 3065 D CB 0.233 41.127 40.800 0.157 0.000 0.947 3065 D HN 0.023 nan 8.370 nan 0.000 0.509 3066 C N 1.248 120.681 119.300 0.222 0.000 2.370 3066 C HA 0.423 4.906 4.460 0.037 0.000 0.354 3066 C C 0.772 175.868 174.990 0.177 0.000 1.218 3066 C CA -1.006 58.093 59.018 0.135 0.000 2.154 3066 C CB 1.431 29.168 27.740 -0.004 0.000 2.391 3066 C HN 0.152 nan 8.230 nan 0.000 0.540 3067 E N 0.570 120.807 120.200 0.060 0.000 2.313 3067 E HA 0.370 4.742 4.350 0.037 0.000 0.276 3067 E C -1.529 175.088 176.600 0.027 0.000 1.031 3067 E CA 0.039 56.511 56.400 0.120 0.000 0.857 3067 E CB 0.295 30.038 29.700 0.070 0.000 1.040 3067 E HN 0.449 nan 8.360 nan 0.000 0.408 3068 F N 4.713 124.692 119.950 0.048 0.000 2.361 3068 F HA 0.302 4.850 4.527 0.036 0.000 0.364 3068 F C -0.331 175.479 175.800 0.017 0.000 1.117 3068 F CA -0.706 57.314 58.000 0.033 0.000 1.071 3068 F CB 0.828 39.859 39.000 0.050 0.000 1.188 3068 F HN 0.304 nan 8.300 nan 0.000 0.464 3069 L N 6.611 127.845 121.223 0.017 0.000 2.417 3069 L HA 0.449 4.811 4.340 0.037 0.000 0.258 3069 L C -0.437 176.419 176.870 -0.024 0.000 1.088 3069 L CA -0.183 54.652 54.840 -0.009 0.000 0.975 3069 L CB -0.098 41.904 42.059 -0.095 0.000 1.341 3069 L HN 0.509 nan 8.230 nan 0.000 0.431 3070 I N 0.454 121.030 120.570 0.010 0.000 2.428 3070 I HA 0.174 4.366 4.170 0.037 0.000 0.296 3070 I C 0.479 176.541 176.117 -0.091 0.000 0.985 3070 I CA -0.937 60.350 61.300 -0.021 0.000 1.260 3070 I CB 1.273 39.292 38.000 0.032 0.000 1.389 3070 I HN 0.439 nan 8.210 nan 0.000 0.484 3071 H N 4.449 123.383 119.070 -0.226 0.000 3.107 3071 H HA -0.018 4.558 4.556 0.034 0.000 0.301 3071 H C 0.446 175.675 175.328 -0.164 0.000 0.981 3071 H CA -0.422 55.491 56.048 -0.225 0.000 1.443 3071 H CB 0.521 30.056 29.762 -0.377 0.000 1.479 3071 H HN 0.633 nan 8.280 nan 0.000 0.564 3072 T N 2.391 116.612 114.554 -0.556 0.000 4.578 3072 T HA 0.128 4.500 4.350 0.037 0.000 0.236 3072 T C 1.672 175.992 174.700 -0.634 0.000 1.038 3072 T CA -0.142 61.653 62.100 -0.509 0.000 1.067 3072 T CB -0.421 68.365 68.868 -0.137 0.000 1.390 3072 T HN 0.734 nan 8.240 nan 0.000 1.076 3073 G N 0.972 109.298 108.800 -0.789 0.000 2.408 3073 G HA2 0.466 4.448 3.960 0.037 0.000 0.217 3073 G HA3 0.466 4.448 3.960 0.037 0.000 0.217 3073 G C 0.698 175.423 174.900 -0.291 0.000 1.150 3073 G CA 0.047 44.888 45.100 -0.432 0.000 0.776 3073 G HN 1.139 nan 8.290 nan 0.000 0.542 3074 G N -1.411 107.113 108.800 -0.461 0.000 2.355 3074 G HA2 0.385 4.367 3.960 0.037 0.000 0.296 3074 G HA3 0.385 4.367 3.960 0.037 0.000 0.296 3074 G C 0.275 174.749 174.900 -0.709 0.000 1.507 3074 G CA 0.185 45.020 45.100 -0.441 0.000 0.823 3074 G HN 0.254 nan 8.290 nan 0.000 0.569 3075 K N -0.252 119.852 120.400 -0.494 0.000 2.057 3075 K HA -0.010 4.332 4.320 0.037 0.000 0.207 3075 K C 2.248 178.777 176.600 -0.118 0.000 1.049 3075 K CA 2.557 58.687 56.287 -0.262 0.000 0.931 3075 K CB -0.450 32.124 32.500 0.124 0.000 0.714 3075 K HN 0.271 nan 8.250 nan 0.000 0.440 3076 S N 1.381 117.009 115.700 -0.121 0.000 2.356 3076 S HA -0.076 4.416 4.470 0.037 0.000 0.223 3076 S C 1.948 176.458 174.600 -0.151 0.000 1.032 3076 S CA 1.276 59.415 58.200 -0.101 0.000 1.005 3076 S CB -0.409 62.730 63.200 -0.102 0.000 0.867 3076 S HN 0.170 nan 8.310 nan 0.000 0.449 3077 I N 1.964 122.401 120.570 -0.222 0.000 2.179 3077 I HA -0.134 4.058 4.170 0.037 0.000 0.242 3077 I C 2.313 178.273 176.117 -0.261 0.000 1.088 3077 I CA 1.279 62.412 61.300 -0.278 0.000 1.357 3077 I CB -1.390 36.429 38.000 -0.302 0.000 1.051 3077 I HN 0.279 nan 8.210 nan 0.000 0.409 3078 L N -0.244 120.798 121.223 -0.303 0.000 2.012 3078 L HA -0.242 4.120 4.340 0.037 0.000 0.210 3078 L C 2.766 179.622 176.870 -0.023 0.000 1.073 3078 L CA 1.441 56.119 54.840 -0.270 0.000 0.748 3078 L CB -0.509 41.125 42.059 -0.708 0.000 0.891 3078 L HN 0.233 nan 8.230 nan 0.000 0.431 3079 M N -0.776 118.863 119.600 0.065 0.000 2.175 3079 M HA -0.172 4.330 4.480 0.037 0.000 0.264 3079 M C 1.917 178.207 176.300 -0.016 0.000 1.063 3079 M CA 1.629 56.981 55.300 0.087 0.000 1.119 3079 M CB -0.761 31.887 32.600 0.080 0.000 1.377 3079 M HN 0.363 nan 8.290 nan 0.000 0.415 3080 N N 0.901 119.559 118.700 -0.070 0.000 2.120 3080 N HA -0.116 4.646 4.740 0.037 0.000 0.188 3080 N C 1.778 177.226 175.510 -0.102 0.000 1.024 3080 N CA 1.257 54.250 53.050 -0.095 0.000 0.852 3080 N CB -0.169 38.237 38.487 -0.135 0.000 1.003 3080 N HN 0.322 nan 8.380 nan 0.000 0.424 3081 I N 1.689 122.185 120.570 -0.125 0.000 2.252 3081 I HA -0.210 3.983 4.170 0.037 0.000 0.245 3081 I C 2.188 178.241 176.117 -0.105 0.000 1.102 3081 I CA 1.184 62.416 61.300 -0.114 0.000 1.385 3081 I CB -0.172 37.769 38.000 -0.099 0.000 1.064 3081 I HN 0.115 nan 8.210 nan 0.000 0.414 3082 E N 0.657 120.806 120.200 -0.085 0.000 2.118 3082 E HA -0.230 4.142 4.350 0.037 0.000 0.195 3082 E C 1.849 178.398 176.600 -0.086 0.000 0.992 3082 E CA 1.440 57.781 56.400 -0.098 0.000 0.804 3082 E CB -0.183 29.508 29.700 -0.015 0.000 0.741 3082 E HN 0.575 nan 8.360 nan 0.000 0.458 3083 N N -0.210 118.454 118.700 -0.061 0.000 2.171 3083 N HA -0.121 4.641 4.740 0.037 0.000 0.184 3083 N C 1.949 177.431 175.510 -0.046 0.000 1.021 3083 N CA 0.858 53.878 53.050 -0.049 0.000 0.854 3083 N CB -0.028 38.433 38.487 -0.042 0.000 0.994 3083 N HN -0.039 nan 8.380 nan 0.000 0.426 3084 S N 1.058 116.730 115.700 -0.048 0.000 2.368 3084 S HA -0.012 4.480 4.470 0.037 0.000 0.225 3084 S C 1.680 176.269 174.600 -0.018 0.000 1.030 3084 S CA 0.881 59.063 58.200 -0.029 0.000 0.999 3084 S CB -0.178 63.005 63.200 -0.029 0.000 0.844 3084 S HN 0.225 nan 8.310 nan 0.000 0.459 3085 L N 0.788 121.984 121.223 -0.044 0.000 2.591 3085 L HA 0.278 4.640 4.340 0.037 0.000 0.228 3085 L C 1.540 178.377 176.870 -0.055 0.000 1.133 3085 L CA 0.279 55.096 54.840 -0.038 0.000 0.880 3085 L CB -0.724 41.287 42.059 -0.081 0.000 1.033 3085 L HN 0.541 nan 8.230 nan 0.000 0.450 3086 G N 2.406 111.170 108.800 -0.062 0.000 2.366 3086 G HA2 -0.294 3.689 3.960 0.037 0.000 0.299 3086 G HA3 -0.294 3.689 3.960 0.037 0.000 0.299 3086 G C 0.276 175.137 174.900 -0.065 0.000 1.020 3086 G CA 0.730 45.800 45.100 -0.050 0.000 1.026 3086 G HN 0.538 nan 8.290 nan 0.000 0.512 3087 I N -3.411 117.084 120.570 -0.125 0.000 2.934 3087 I HA 0.673 4.865 4.170 0.037 0.000 0.315 3087 I C 0.167 176.234 176.117 -0.085 0.000 0.997 3087 I CA -1.292 59.922 61.300 -0.142 0.000 1.184 3087 I CB 1.280 39.060 38.000 -0.366 0.000 1.400 3087 I HN 0.025 nan 8.210 nan 0.000 0.549 3088 D N 2.686 123.060 120.400 -0.043 0.000 2.225 3088 D HA 0.289 4.951 4.640 0.037 0.000 0.249 3088 D C -1.914 174.387 176.300 0.001 0.000 1.052 3088 D CA -1.874 52.118 54.000 -0.014 0.000 0.909 3088 D CB 2.319 43.126 40.800 0.012 0.000 1.186 3088 D HN 0.314 nan 8.370 nan 0.000 0.431 3089 P HA -0.131 nan 4.420 nan 0.000 0.218 3089 P C 0.987 178.319 177.300 0.054 0.000 1.146 3089 P CA 1.232 64.331 63.100 -0.001 0.000 0.813 3089 P CB 0.312 31.980 31.700 -0.053 0.000 0.778 3090 K N -0.330 120.101 120.400 0.053 0.000 2.147 3090 K HA -0.147 4.195 4.320 0.037 0.000 0.205 3090 K C 1.911 178.581 176.600 0.118 0.000 1.049 3090 K CA 1.234 57.568 56.287 0.078 0.000 0.936 3090 K CB -0.250 32.287 32.500 0.062 0.000 0.722 3090 K HN 0.384 nan 8.250 nan 0.000 0.446 3091 Q N -0.201 119.677 119.800 0.130 0.000 2.451 3091 Q HA -0.032 4.331 4.340 0.037 0.000 0.206 3091 Q C 0.928 177.081 176.000 0.256 0.000 0.947 3091 Q CA 1.159 57.084 55.803 0.203 0.000 0.937 3091 Q CB 0.312 29.198 28.738 0.248 0.000 1.025 3091 Q HN 0.273 nan 8.270 nan 0.000 0.511 3092 T N -3.696 110.996 114.554 0.229 0.000 3.231 3092 T HA 0.249 4.621 4.350 0.037 0.000 0.292 3092 T C 1.191 176.117 174.700 0.377 0.000 1.001 3092 T CA -0.597 61.681 62.100 0.296 0.000 0.920 3092 T CB 0.429 69.483 68.868 0.311 0.000 1.140 3092 T HN -0.078 nan 8.240 nan 0.000 0.525 3093 K N 1.987 122.557 120.400 0.283 0.000 2.026 3093 K HA -0.087 4.255 4.320 0.037 0.000 0.208 3093 K C 1.644 178.427 176.600 0.306 0.000 1.048 3093 K CA 1.145 57.600 56.287 0.280 0.000 0.929 3093 K CB -0.233 32.383 32.500 0.195 0.000 0.713 3093 K HN 0.299 nan 8.250 nan 0.000 0.439 3094 N N 0.423 119.291 118.700 0.280 0.000 2.104 3094 N HA -0.145 4.617 4.740 0.037 0.000 0.190 3094 N C 1.818 177.465 175.510 0.228 0.000 1.024 3094 N CA 2.123 55.372 53.050 0.331 0.000 0.853 3094 N CB -0.556 38.115 38.487 0.307 0.000 1.008 3094 N HN 0.444 nan 8.380 nan 0.000 0.424 3095 T N -2.940 111.705 114.554 0.151 0.000 2.867 3095 T HA -0.094 4.278 4.350 0.037 0.000 0.268 3095 T C 1.768 176.419 174.700 -0.082 0.000 1.057 3095 T CA 0.607 62.711 62.100 0.007 0.000 1.136 3095 T CB -0.635 68.180 68.868 -0.087 0.000 0.874 3095 T HN 0.265 nan 8.240 nan 0.000 0.466 3096 W N 1.936 123.219 121.300 -0.028 0.000 2.519 3096 W HA 0.137 4.820 4.660 0.038 0.000 0.266 3096 W C 1.921 178.325 176.519 -0.191 0.000 1.253 3096 W CA 0.210 57.451 57.345 -0.173 0.000 1.274 3096 W CB -0.019 29.356 29.460 -0.142 0.000 1.114 3096 W HN 0.230 nan 8.180 nan 0.000 0.596 3097 D N -0.251 120.252 120.400 0.172 0.000 2.097 3097 D HA -0.151 4.511 4.640 0.037 0.000 0.197 3097 D C 2.302 178.616 176.300 0.024 0.000 0.984 3097 D CA 1.445 55.509 54.000 0.107 0.000 0.826 3097 D CB -0.739 40.033 40.800 -0.048 0.000 0.973 3097 D HN -0.018 nan 8.370 nan 0.000 0.460 3098 V N 0.773 120.690 119.914 0.005 0.000 2.287 3098 V HA -0.280 3.863 4.120 0.037 0.000 0.248 3098 V C 2.295 178.483 176.094 0.156 0.000 1.053 3098 V CA 1.560 63.958 62.300 0.164 0.000 1.027 3098 V CB -0.750 31.160 31.823 0.146 0.000 0.646 3098 V HN 0.204 nan 8.190 nan 0.000 0.447 3099 Y N 0.232 120.463 120.300 -0.115 0.000 2.181 3099 Y HA -0.271 4.303 4.550 0.040 0.000 0.288 3099 Y C 2.754 178.611 175.900 -0.073 0.000 1.146 3099 Y CA 2.061 60.047 58.100 -0.191 0.000 1.164 3099 Y CB -0.222 37.967 38.460 -0.452 0.000 0.982 3099 Y HN 0.346 nan 8.280 nan 0.000 0.515 3100 H N -0.632 118.437 119.070 -0.001 0.000 2.387 3100 H HA 0.001 4.579 4.556 0.035 0.000 0.299 3100 H C 2.104 177.317 175.328 -0.191 0.000 1.090 3100 H CA 1.228 57.225 56.048 -0.084 0.000 1.332 3100 H CB -0.498 29.304 29.762 0.066 0.000 1.386 3100 H HN 0.492 nan 8.280 nan 0.000 0.516 3101 A N -0.895 121.868 122.820 -0.095 0.000 2.267 3101 A HA 0.109 4.451 4.320 0.037 0.000 0.213 3101 A C 0.861 178.103 177.584 -0.571 0.000 1.192 3101 A CA 0.179 52.009 52.037 -0.346 0.000 0.851 3101 A CB 0.144 18.870 19.000 -0.457 0.000 0.881 3101 A HN 0.295 nan 8.150 nan 0.000 0.494 3102 Y N -2.001 118.270 120.300 -0.047 0.000 2.460 3102 Y HA 0.404 4.970 4.550 0.026 0.000 0.276 3102 Y C 1.608 177.420 175.900 -0.147 0.000 1.119 3102 Y CA -0.086 57.984 58.100 -0.050 0.000 1.181 3102 Y CB 0.178 38.566 38.460 -0.120 0.000 1.304 3102 Y HN 0.457 nan 8.280 nan 0.000 0.536 3103 G N 1.687 110.393 108.800 -0.155 0.000 2.525 3103 G HA2 -0.337 3.645 3.960 0.037 0.000 0.248 3103 G HA3 -0.337 3.645 3.960 0.037 0.000 0.248 3103 G C -0.366 174.482 174.900 -0.086 0.000 1.238 3103 G CA -0.090 44.830 45.100 -0.300 0.000 0.926 3103 G HN 0.425 nan 8.290 nan 0.000 0.574 3104 N N 0.410 119.082 118.700 -0.047 0.000 2.485 3104 N HA 0.546 5.308 4.740 0.037 0.000 0.243 3104 N C 0.714 176.322 175.510 0.164 0.000 0.987 3104 N CA -0.465 52.600 53.050 0.025 0.000 0.940 3104 N CB 0.245 38.695 38.487 -0.061 0.000 1.122 3104 N HN 0.456 nan 8.380 nan 0.000 0.509 3105 M N 2.579 122.222 119.600 0.071 0.000 2.738 3105 M HA 0.141 4.643 4.480 0.037 0.000 0.295 3105 M C 0.728 177.067 176.300 0.064 0.000 1.266 3105 M CA -0.149 55.168 55.300 0.028 0.000 0.985 3105 M CB -0.029 32.446 32.600 -0.208 0.000 1.365 3105 M HN 0.615 nan 8.290 nan 0.000 0.492 3106 S N 0.757 116.567 115.700 0.183 0.000 3.469 3106 S HA -0.301 4.191 4.470 0.037 0.000 0.628 3106 S C 1.537 176.139 174.600 0.003 0.000 2.687 3106 S CA 1.660 59.910 58.200 0.084 0.000 3.829 3106 S CB -1.164 61.985 63.200 -0.085 0.000 0.258 3106 S HN 0.782 nan 8.310 nan 0.000 1.222 3107 S N 1.485 117.129 115.700 -0.093 0.000 2.399 3107 S HA -0.243 4.249 4.470 0.037 0.000 0.235 3107 S C 2.036 176.631 174.600 -0.008 0.000 1.063 3107 S CA 2.844 60.990 58.200 -0.091 0.000 1.070 3107 S CB -1.424 61.738 63.200 -0.062 0.000 0.904 3107 S HN 1.714 nan 8.310 nan 0.000 0.456 3108 A N 1.789 124.631 122.820 0.035 0.000 1.930 3108 A HA 0.021 4.364 4.320 0.037 0.000 0.217 3108 A C 2.436 180.099 177.584 0.132 0.000 1.175 3108 A CA 1.692 53.797 52.037 0.113 0.000 0.627 3108 A CB -1.282 17.796 19.000 0.130 0.000 0.815 3108 A HN 0.590 nan 8.150 nan 0.000 0.443 3109 S N 0.036 115.754 115.700 0.029 0.000 2.409 3109 S HA -0.253 4.239 4.470 0.037 0.000 0.237 3109 S C 1.863 176.528 174.600 0.107 0.000 1.060 3109 S CA 1.824 60.035 58.200 0.019 0.000 1.052 3109 S CB -0.928 62.327 63.200 0.091 0.000 0.871 3109 S HN 0.493 nan 8.310 nan 0.000 0.465 3110 V N 2.270 122.252 119.914 0.114 0.000 2.237 3110 V HA -0.166 3.977 4.120 0.037 0.000 0.245 3110 V C 2.241 178.346 176.094 0.018 0.000 1.046 3110 V CA 1.357 63.676 62.300 0.032 0.000 1.007 3110 V CB -0.940 30.858 31.823 -0.042 0.000 0.638 3110 V HN 0.383 nan 8.190 nan 0.000 0.445 3111 I N -0.476 120.119 120.570 0.041 0.000 2.194 3111 I HA -0.240 3.952 4.170 0.037 0.000 0.246 3111 I C 2.506 178.667 176.117 0.073 0.000 1.093 3111 I CA 1.857 63.167 61.300 0.018 0.000 1.355 3111 I CB -1.447 36.609 38.000 0.095 0.000 1.046 3111 I HN 0.219 nan 8.210 nan 0.000 0.413 3112 F N 1.101 121.013 119.950 -0.063 0.000 2.120 3112 F HA -0.215 4.316 4.527 0.007 0.000 0.300 3112 F C 2.616 178.408 175.800 -0.013 0.000 1.095 3112 F CA 1.506 59.453 58.000 -0.089 0.000 1.249 3112 F CB -0.901 37.974 39.000 -0.208 0.000 0.995 3112 F HN -0.160 nan 8.300 nan 0.000 0.480 3113 V N -0.189 119.838 119.914 0.188 0.000 2.295 3113 V HA -0.359 3.783 4.120 0.037 0.000 0.246 3113 V C 2.359 178.529 176.094 0.127 0.000 1.049 3113 V CA 2.060 64.450 62.300 0.149 0.000 1.024 3113 V CB -0.614 31.254 31.823 0.075 0.000 0.648 3113 V HN 0.308 nan 8.190 nan 0.000 0.447 3114 M N 0.120 119.729 119.600 0.015 0.000 2.108 3114 M HA -0.232 4.270 4.480 0.037 0.000 0.261 3114 M C 2.058 178.437 176.300 0.132 0.000 1.066 3114 M CA 2.485 57.753 55.300 -0.053 0.000 1.107 3114 M CB -0.657 31.757 32.600 -0.310 0.000 1.356 3114 M HN 0.519 nan 8.290 nan 0.000 0.406 3115 D N -0.005 120.447 120.400 0.086 0.000 2.088 3115 D HA -0.283 4.379 4.640 0.037 0.000 0.191 3115 D C 2.015 178.396 176.300 0.136 0.000 0.992 3115 D CA 1.735 55.788 54.000 0.087 0.000 0.831 3115 D CB -0.413 40.364 40.800 -0.039 0.000 0.973 3115 D HN 0.421 nan 8.370 nan 0.000 0.447 3116 H N -0.121 118.991 119.070 0.069 0.000 2.489 3116 H HA -0.028 4.550 4.556 0.037 0.000 0.295 3116 H C 1.667 177.061 175.328 0.110 0.000 1.082 3116 H CA 1.517 57.625 56.048 0.100 0.000 1.295 3116 H CB -0.090 29.761 29.762 0.147 0.000 1.380 3116 H HN 0.289 nan 8.280 nan 0.000 0.548 3117 A N 1.596 124.503 122.820 0.145 0.000 1.929 3117 A HA -0.143 4.199 4.320 0.037 0.000 0.216 3117 A C 2.406 180.018 177.584 0.047 0.000 1.176 3117 A CA 1.179 53.281 52.037 0.108 0.000 0.628 3117 A CB -0.291 18.841 19.000 0.219 0.000 0.816 3117 A HN 0.540 nan 8.150 nan 0.000 0.444 3118 R N 0.508 121.057 120.500 0.082 0.000 2.316 3118 R HA 0.100 4.462 4.340 0.037 0.000 0.202 3118 R C 1.243 177.498 176.300 -0.076 0.000 1.029 3118 R CA 1.303 57.366 56.100 -0.062 0.000 1.018 3118 R CB -0.564 29.668 30.300 -0.113 0.000 0.888 3118 R HN 0.427 nan 8.270 nan 0.000 0.471 3119 K N 0.518 120.870 120.400 -0.081 0.000 2.365 3119 K HA 0.099 4.442 4.320 0.037 0.000 0.197 3119 K C 0.501 177.036 176.600 -0.110 0.000 1.042 3119 K CA 0.444 56.673 56.287 -0.095 0.000 0.987 3119 K CB 0.196 32.630 32.500 -0.111 0.000 0.779 3119 K HN 0.210 nan 8.250 nan 0.000 0.484 3120 S N 1.051 116.675 115.700 -0.126 0.000 2.585 3120 S HA 0.053 4.545 4.470 0.037 0.000 0.273 3120 S C 0.608 175.173 174.600 -0.058 0.000 1.339 3120 S CA -0.069 58.078 58.200 -0.088 0.000 1.028 3120 S CB 0.989 64.152 63.200 -0.062 0.000 0.906 3120 S HN 0.051 nan 8.310 nan 0.000 0.528 3121 K N 0.998 121.375 120.400 -0.039 0.000 2.414 3121 K HA 0.255 4.597 4.320 0.037 0.000 0.204 3121 K C 0.099 176.684 176.600 -0.025 0.000 1.026 3121 K CA 0.031 56.298 56.287 -0.034 0.000 1.108 3121 K CB 0.395 32.880 32.500 -0.025 0.000 0.855 3121 K HN 0.537 nan 8.250 nan 0.000 0.517 3122 S N -0.145 115.545 115.700 -0.017 0.000 2.617 3122 S HA 0.361 4.853 4.470 0.037 0.000 0.237 3122 S C -0.361 174.238 174.600 -0.002 0.000 1.142 3122 S CA -0.800 57.396 58.200 -0.006 0.000 1.167 3122 S CB -0.205 63.000 63.200 0.008 0.000 1.068 3122 S HN 0.027 nan 8.310 nan 0.000 0.470 3123 L N 2.537 123.748 121.223 -0.019 0.000 2.276 3123 L HA 0.468 4.831 4.340 0.037 0.000 0.286 3123 L C -1.731 175.121 176.870 -0.030 0.000 1.061 3123 L CA -2.035 52.795 54.840 -0.016 0.000 0.807 3123 L CB 0.579 42.617 42.059 -0.035 0.000 1.177 3123 L HN 0.219 nan 8.230 nan 0.000 0.429 3124 P HA -0.041 nan 4.420 nan 0.000 0.279 3124 P C 0.602 177.844 177.300 -0.096 0.000 1.278 3124 P CA 0.002 63.090 63.100 -0.021 0.000 0.846 3124 P CB 0.365 32.078 31.700 0.022 0.000 1.218 3125 T N -3.215 111.242 114.554 -0.163 0.000 3.057 3125 T HA 0.117 4.490 4.350 0.037 0.000 0.254 3125 T C -0.115 174.215 174.700 -0.617 0.000 1.094 3125 T CA 1.065 62.922 62.100 -0.405 0.000 1.088 3125 T CB -0.298 68.262 68.868 -0.513 0.000 0.934 3125 T HN 0.249 nan 8.240 nan 0.000 0.497 3126 Y N 0.011 120.257 120.300 -0.089 0.000 2.609 3126 Y HA 0.656 5.228 4.550 0.036 0.000 0.342 3126 Y C -0.170 175.542 175.900 -0.315 0.000 1.058 3126 Y CA -1.626 56.317 58.100 -0.263 0.000 1.055 3126 Y CB 1.835 40.102 38.460 -0.321 0.000 1.292 3126 Y HN -0.206 nan 8.280 nan 0.000 0.476 3127 S N 1.327 116.832 115.700 -0.326 0.000 2.540 3127 S HA 0.675 5.167 4.470 0.037 0.000 0.275 3127 S C -1.296 172.980 174.600 -0.540 0.000 1.123 3127 S CA -0.679 57.321 58.200 -0.333 0.000 0.907 3127 S CB 1.341 64.445 63.200 -0.160 0.000 1.081 3127 S HN 0.427 nan 8.310 nan 0.000 0.476 3128 I N 2.011 122.237 120.570 -0.573 0.000 2.378 3128 I HA 0.452 4.644 4.170 0.037 0.000 0.291 3128 I C -0.121 175.745 176.117 -0.418 0.000 0.992 3128 I CA -0.328 60.645 61.300 -0.545 0.000 1.154 3128 I CB 1.880 39.388 38.000 -0.819 0.000 1.315 3128 I HN 0.468 nan 8.210 nan 0.000 0.448 3129 S N 7.195 122.756 115.700 -0.231 0.000 2.454 3129 S HA 0.768 5.261 4.470 0.037 0.000 0.306 3129 S C -0.757 173.806 174.600 -0.062 0.000 1.100 3129 S CA -0.497 57.610 58.200 -0.155 0.000 1.087 3129 S CB 0.737 63.826 63.200 -0.185 0.000 1.019 3129 S HN 0.426 nan 8.310 nan 0.000 0.480 3130 L N 3.067 124.259 121.223 -0.052 0.000 2.354 3130 L HA 0.971 5.333 4.340 0.037 0.000 0.264 3130 L C -0.352 176.284 176.870 -0.390 0.000 1.008 3130 L CA -0.864 53.937 54.840 -0.065 0.000 0.819 3130 L CB 2.100 44.233 42.059 0.123 0.000 1.339 3130 L HN 0.771 nan 8.230 nan 0.000 0.420 3131 A N 1.765 124.187 122.820 -0.664 0.000 2.589 3131 A HA 0.885 5.227 4.320 0.037 0.000 0.296 3131 A C -1.714 175.235 177.584 -1.059 0.000 1.062 3131 A CA -0.430 50.988 52.037 -1.031 0.000 0.686 3131 A CB 1.390 20.086 19.000 -0.506 0.000 1.282 3131 A HN 0.508 nan 8.150 nan 0.000 0.404 3132 F N -0.202 119.702 119.950 -0.078 0.000 2.613 3132 F HA 0.921 5.471 4.527 0.038 0.000 0.310 3132 F C 0.518 176.310 175.800 -0.014 0.000 1.085 3132 F CA -0.291 57.710 58.000 0.002 0.000 0.945 3132 F CB 1.795 40.770 39.000 -0.043 0.000 1.298 3132 F HN 1.126 nan 8.300 nan 0.000 0.455 3133 G N -0.202 108.724 108.800 0.210 0.000 2.634 3133 G HA2 0.621 4.603 3.960 0.037 0.000 0.309 3133 G HA3 0.621 4.603 3.960 0.037 0.000 0.309 3133 G C -3.428 171.539 174.900 0.112 0.000 1.299 3133 G CA -1.717 43.445 45.100 0.104 0.000 0.798 3133 G HN 0.335 nan 8.290 nan 0.000 0.490 3134 P HA 0.271 nan 4.420 nan 0.000 0.263 3134 P C 0.838 178.185 177.300 0.078 0.000 1.168 3134 P CA 2.289 65.431 63.100 0.069 0.000 0.759 3134 P CB 0.957 32.686 31.700 0.048 0.000 0.782 3135 G N 1.619 110.468 108.800 0.081 0.000 3.432 3135 G HA2 -0.112 3.870 3.960 0.037 0.000 0.188 3135 G HA3 -0.112 3.870 3.960 0.037 0.000 0.188 3135 G C -0.328 174.624 174.900 0.086 0.000 2.301 3135 G CA -0.506 44.641 45.100 0.078 0.000 1.337 3135 G HN 0.437 nan 8.290 nan 0.000 0.406 3136 L N 1.818 123.107 121.223 0.111 0.000 2.475 3136 L HA 0.673 5.035 4.340 0.037 0.000 0.253 3136 L C 0.681 177.676 176.870 0.208 0.000 1.198 3136 L CA 0.115 55.042 54.840 0.145 0.000 0.814 3136 L CB 1.211 43.327 42.059 0.095 0.000 1.134 3136 L HN 0.851 nan 8.230 nan 0.000 0.478 3137 A N 0.703 123.672 122.820 0.248 0.000 2.589 3137 A HA 0.692 5.034 4.320 0.037 0.000 0.296 3137 A C -1.300 176.546 177.584 0.438 0.000 1.062 3137 A CA -0.510 51.658 52.037 0.217 0.000 0.686 3137 A CB 0.990 20.049 19.000 0.100 0.000 1.282 3137 A HN 0.499 nan 8.150 nan 0.000 0.404 3138 F N 1.087 121.049 119.950 0.020 0.000 2.492 3138 F HA 0.567 5.117 4.527 0.037 0.000 0.327 3138 F C 0.381 176.092 175.800 -0.147 0.000 1.079 3138 F CA -0.810 57.063 58.000 -0.212 0.000 0.967 3138 F CB 1.899 40.329 39.000 -0.950 0.000 1.169 3138 F HN 0.477 nan 8.300 nan 0.000 0.472 3139 E N 1.355 121.626 120.200 0.118 0.000 2.222 3139 E HA 0.558 4.930 4.350 0.037 0.000 0.267 3139 E C -0.560 176.206 176.600 0.276 0.000 0.884 3139 E CA -0.513 55.993 56.400 0.177 0.000 0.764 3139 E CB 2.449 32.157 29.700 0.013 0.000 1.169 3139 E HN 0.852 nan 8.360 nan 0.000 0.413 3140 G N -0.030 108.989 108.800 0.365 0.000 2.672 3140 G HA2 0.599 4.581 3.960 0.037 0.000 0.292 3140 G HA3 0.599 4.581 3.960 0.037 0.000 0.292 3140 G C -1.419 173.531 174.900 0.084 0.000 1.375 3140 G CA -0.440 44.825 45.100 0.275 0.000 0.890 3140 G HN 0.544 nan 8.290 nan 0.000 0.476 3141 C N 0.341 119.653 119.300 0.020 0.000 3.113 3141 C HA 0.678 5.160 4.460 0.037 0.000 0.376 3141 C C -1.844 173.139 174.990 -0.011 0.000 1.077 3141 C CA -0.997 58.011 59.018 -0.016 0.000 1.253 3141 C CB 0.591 28.285 27.740 -0.076 0.000 1.637 3141 C HN 0.733 nan 8.230 nan 0.000 0.535 3142 F N 6.273 126.143 119.950 -0.134 0.000 2.375 3142 F HA 0.793 5.343 4.527 0.038 0.000 0.361 3142 F C -0.774 174.969 175.800 -0.096 0.000 1.117 3142 F CA -0.366 57.551 58.000 -0.138 0.000 1.037 3142 F CB 0.643 39.542 39.000 -0.168 0.000 1.192 3142 F HN 0.486 nan 8.300 nan 0.000 0.452 3143 L N 4.753 125.741 121.223 -0.393 0.000 2.322 3143 L HA 0.533 4.895 4.340 0.037 0.000 0.269 3143 L C -0.801 176.001 176.870 -0.114 0.000 1.012 3143 L CA -0.953 53.779 54.840 -0.180 0.000 0.815 3143 L CB 1.777 43.768 42.059 -0.113 0.000 1.295 3143 L HN 0.475 nan 8.230 nan 0.000 0.438 3144 K N 1.108 121.539 120.400 0.051 0.000 2.425 3144 K HA 0.362 4.705 4.320 0.037 0.000 0.259 3144 K C -0.839 175.764 176.600 0.006 0.000 0.978 3144 K CA -0.331 55.998 56.287 0.069 0.000 0.883 3144 K CB 0.453 33.033 32.500 0.133 0.000 1.110 3144 K HN 0.559 nan 8.250 nan 0.000 0.436 3145 N N 3.780 122.445 118.700 -0.057 0.000 2.399 3145 N HA -0.057 4.705 4.740 0.037 0.000 0.284 3145 N C 0.953 176.374 175.510 -0.149 0.000 1.283 3145 N CA -0.325 52.640 53.050 -0.141 0.000 0.972 3145 N CB 0.749 39.158 38.487 -0.130 0.000 1.328 3145 N HN 0.435 nan 8.380 nan 0.000 0.486 3146 V N 0.110 119.944 119.914 -0.133 0.000 3.235 3146 V HA 0.047 4.190 4.120 0.037 0.000 0.259 3146 V C 1.238 177.277 176.094 -0.092 0.000 1.133 3146 V CA 0.127 62.397 62.300 -0.050 0.000 1.128 3146 V CB -0.269 31.607 31.823 0.089 0.000 0.757 3146 V HN 0.313 nan 8.190 nan 0.000 0.469 3147 V N 0.000 119.809 119.914 -0.175 0.000 2.409 3147 V HA 0.000 4.142 4.120 0.037 0.000 0.244 3147 V CA 0.000 62.211 62.300 -0.149 0.000 1.235 3147 V CB 0.000 31.688 31.823 -0.225 0.000 1.184 3147 V HN 0.000 nan 8.190 nan 0.000 0.556