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 2be2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.367 177.300 0.111 0.000 1.155 1 P CA 0.000 63.179 63.100 0.132 0.000 0.800 1 P CB 0.000 31.793 31.700 0.155 0.000 0.726 2 I N -2.311 118.324 120.570 0.109 0.000 3.644 2 I HA 0.087 4.246 4.170 -0.017 0.000 0.351 2 I C 0.314 176.489 176.117 0.096 0.000 1.240 2 I CA -0.538 60.813 61.300 0.086 0.000 0.983 2 I CB 0.305 38.337 38.000 0.054 0.000 2.424 2 I HN 0.122 nan 8.210 nan 0.000 0.786 3 S N 3.901 119.684 115.700 0.138 0.000 2.952 3 S HA -0.005 4.455 4.470 -0.017 0.000 0.351 3 S C -1.279 173.423 174.600 0.169 0.000 1.211 3 S CA 0.100 58.411 58.200 0.186 0.000 1.002 3 S CB 0.520 63.851 63.200 0.218 0.000 0.702 3 S HN 0.312 nan 8.310 nan 0.000 0.495 4 P HA 0.288 nan 4.420 nan 0.000 0.262 4 P C 0.306 177.775 177.300 0.283 0.000 1.304 4 P CA -0.247 62.942 63.100 0.148 0.000 0.859 4 P CB 0.020 31.715 31.700 -0.009 0.000 1.310 5 I N 0.921 121.701 120.570 0.350 0.000 2.648 5 I HA -0.016 4.144 4.170 -0.017 0.000 0.284 5 I C 0.208 176.417 176.117 0.154 0.000 1.153 5 I CA -0.371 61.092 61.300 0.273 0.000 1.426 5 I CB 0.635 38.717 38.000 0.137 0.000 1.381 5 I HN -0.106 nan 8.210 nan 0.000 0.571 6 E N 4.505 124.779 120.200 0.123 0.000 2.442 6 E HA 0.027 4.367 4.350 -0.017 0.000 0.262 6 E C 0.013 176.653 176.600 0.067 0.000 1.004 6 E CA 0.172 56.624 56.400 0.086 0.000 0.928 6 E CB 0.317 30.058 29.700 0.069 0.000 0.937 6 E HN 0.610 nan 8.360 nan 0.000 0.446 7 T N -1.426 113.169 114.554 0.069 0.000 2.882 7 T HA 0.371 4.710 4.350 -0.017 0.000 0.287 7 T C 0.098 174.835 174.700 0.062 0.000 1.014 7 T CA -1.049 61.092 62.100 0.068 0.000 1.049 7 T CB 0.829 69.744 68.868 0.078 0.000 1.001 7 T HN 0.136 nan 8.240 nan 0.000 0.525 8 V N 4.944 124.898 119.914 0.067 0.000 2.432 8 V HA 0.346 4.455 4.120 -0.017 0.000 0.275 8 V C -1.654 174.498 176.094 0.097 0.000 1.043 8 V CA -1.768 60.578 62.300 0.077 0.000 0.925 8 V CB 0.793 32.669 31.823 0.088 0.000 0.985 8 V HN 0.871 nan 8.190 nan 0.000 0.466 9 P HA 0.217 nan 4.420 nan 0.000 0.271 9 P C -0.858 176.489 177.300 0.077 0.000 1.216 9 P CA 0.136 63.284 63.100 0.080 0.000 0.776 9 P CB 1.402 33.138 31.700 0.059 0.000 0.881 10 V N 3.779 123.728 119.914 0.058 0.000 2.914 10 V HA 0.522 4.632 4.120 -0.017 0.000 0.314 10 V C 0.180 176.273 176.094 -0.001 0.000 1.084 10 V CA -0.639 61.634 62.300 -0.045 0.000 0.963 10 V CB 2.383 34.036 31.823 -0.283 0.000 1.025 10 V HN 0.531 nan 8.190 nan 0.000 0.432 11 K N 2.179 122.547 120.400 -0.052 0.000 2.508 11 K HA 0.668 4.977 4.320 -0.017 0.000 0.260 11 K C -1.554 175.102 176.600 0.095 0.000 0.949 11 K CA -0.808 55.528 56.287 0.081 0.000 0.834 11 K CB 2.671 35.178 32.500 0.013 0.000 1.365 11 K HN 0.417 nan 8.250 nan 0.000 0.437 12 L N 2.014 123.309 121.223 0.120 0.000 2.439 12 L HA 0.331 4.660 4.340 -0.017 0.000 0.261 12 L C 0.402 177.264 176.870 -0.012 0.000 1.153 12 L CA -0.619 54.243 54.840 0.037 0.000 0.808 12 L CB 0.492 42.465 42.059 -0.144 0.000 1.126 12 L HN 0.406 nan 8.230 nan 0.000 0.460 13 K N 1.535 121.922 120.400 -0.022 0.000 2.397 13 K HA 0.069 4.379 4.320 -0.017 0.000 0.265 13 K C -2.247 174.338 176.600 -0.024 0.000 0.982 13 K CA -1.245 55.023 56.287 -0.031 0.000 0.931 13 K CB -0.250 32.235 32.500 -0.025 0.000 0.943 13 K HN 0.288 nan 8.250 nan 0.000 0.501 14 P HA -0.111 nan 4.420 nan 0.000 0.262 14 P C 0.672 177.969 177.300 -0.005 0.000 1.182 14 P CA 1.055 64.149 63.100 -0.010 0.000 0.761 14 P CB 0.499 32.193 31.700 -0.011 0.000 0.795 15 G N 2.146 110.947 108.800 0.002 0.000 2.396 15 G HA2 -0.320 3.630 3.960 -0.017 0.000 0.242 15 G HA3 -0.320 3.630 3.960 -0.017 0.000 0.242 15 G C 0.388 175.292 174.900 0.006 0.000 1.069 15 G CA 0.182 45.286 45.100 0.008 0.000 0.633 15 G HN 0.476 nan 8.290 nan 0.000 0.517 16 M N 0.696 120.291 119.600 -0.008 0.000 2.167 16 M HA 0.518 4.987 4.480 -0.017 0.000 0.300 16 M C 0.343 176.618 176.300 -0.041 0.000 1.171 16 M CA 0.384 55.673 55.300 -0.019 0.000 1.171 16 M CB 0.548 33.130 32.600 -0.030 0.000 1.396 16 M HN 0.356 nan 8.290 nan 0.000 0.466 17 D N -0.523 119.850 120.400 -0.046 0.000 2.614 17 D HA 0.523 5.153 4.640 -0.017 0.000 0.264 17 D C -0.346 175.830 176.300 -0.206 0.000 1.092 17 D CA -0.274 53.689 54.000 -0.062 0.000 1.071 17 D CB 1.262 42.136 40.800 0.123 0.000 1.443 17 D HN 0.645 nan 8.370 nan 0.000 0.528 18 G N 0.031 108.574 108.800 -0.430 0.000 2.771 18 G HA2 0.322 4.272 3.960 -0.017 0.000 0.242 18 G HA3 0.322 4.272 3.960 -0.017 0.000 0.242 18 G C -2.204 172.639 174.900 -0.095 0.000 1.233 18 G CA -0.644 44.027 45.100 -0.716 0.000 0.858 18 G HN 0.472 nan 8.290 nan 0.000 0.591 19 P HA 0.340 nan 4.420 nan 0.000 0.290 19 P C -1.113 176.333 177.300 0.242 0.000 1.276 19 P CA -0.500 62.681 63.100 0.135 0.000 0.808 19 P CB 1.597 33.367 31.700 0.117 0.000 0.966 20 K N 2.063 122.568 120.400 0.176 0.000 2.762 20 K HA 0.354 4.663 4.320 -0.017 0.000 0.180 20 K C -0.723 175.911 176.600 0.057 0.000 1.067 20 K CA -0.551 55.818 56.287 0.138 0.000 0.973 20 K CB 1.106 33.677 32.500 0.118 0.000 1.290 20 K HN 0.212 nan 8.250 nan 0.000 0.604 21 V N 2.111 122.050 119.914 0.043 0.000 2.439 21 V HA 0.192 4.302 4.120 -0.017 0.000 0.282 21 V C 0.181 176.237 176.094 -0.063 0.000 1.039 21 V CA -0.771 61.514 62.300 -0.026 0.000 0.913 21 V CB 1.233 33.047 31.823 -0.016 0.000 0.983 21 V HN 0.371 nan 8.190 nan 0.000 0.460 22 K N 3.940 124.255 120.400 -0.142 0.000 2.270 22 K HA 0.255 4.565 4.320 -0.017 0.000 0.276 22 K C -0.245 176.229 176.600 -0.211 0.000 1.023 22 K CA -0.075 56.121 56.287 -0.151 0.000 0.955 22 K CB 0.883 33.289 32.500 -0.157 0.000 0.975 22 K HN 0.704 nan 8.250 nan 0.000 0.471 23 Q N 3.405 123.151 119.800 -0.091 0.000 2.279 23 Q HA 0.244 4.574 4.340 -0.017 0.000 0.256 23 Q C -1.438 174.623 176.000 0.102 0.000 0.937 23 Q CA -0.140 55.623 55.803 -0.067 0.000 0.933 23 Q CB 0.568 29.280 28.738 -0.043 0.000 1.189 23 Q HN 0.499 nan 8.270 nan 0.000 0.417 24 W N 6.664 127.929 121.300 -0.058 0.000 2.291 24 W HA 0.370 5.019 4.660 -0.019 0.000 0.312 24 W C -1.977 174.519 176.519 -0.040 0.000 1.061 24 W CA -2.724 54.611 57.345 -0.018 0.000 1.296 24 W CB 0.512 29.993 29.460 0.036 0.000 1.223 24 W HN 0.659 nan 8.180 nan 0.000 0.421 25 P HA 0.026 nan 4.420 nan 0.000 0.270 25 P C -0.393 176.942 177.300 0.060 0.000 1.216 25 P CA 0.083 63.223 63.100 0.066 0.000 0.788 25 P CB 0.768 32.489 31.700 0.035 0.000 0.883 26 L N -0.341 120.903 121.223 0.035 0.000 2.598 26 L HA 0.432 4.762 4.340 -0.017 0.000 0.246 26 L C -0.630 176.254 176.870 0.024 0.000 1.124 26 L CA -0.367 54.502 54.840 0.048 0.000 1.019 26 L CB 0.754 42.867 42.059 0.090 0.000 1.583 26 L HN 0.329 nan 8.230 nan 0.000 0.386 27 T N 0.475 115.051 114.554 0.037 0.000 2.902 27 T HA -0.066 4.274 4.350 -0.017 0.000 0.317 27 T C 1.130 175.817 174.700 -0.022 0.000 1.064 27 T CA 0.951 63.062 62.100 0.018 0.000 1.130 27 T CB 0.066 68.960 68.868 0.042 0.000 1.073 27 T HN 0.675 nan 8.240 nan 0.000 0.524 28 E N 1.668 121.854 120.200 -0.023 0.000 2.058 28 E HA -0.253 4.087 4.350 -0.017 0.000 0.194 28 E C 2.043 178.596 176.600 -0.079 0.000 0.997 28 E CA 1.821 58.197 56.400 -0.039 0.000 0.801 28 E CB 0.006 29.692 29.700 -0.024 0.000 0.746 28 E HN 0.908 nan 8.360 nan 0.000 0.450 29 E N 0.451 120.593 120.200 -0.098 0.000 2.112 29 E HA -0.146 4.194 4.350 -0.017 0.000 0.190 29 E C 2.110 178.484 176.600 -0.378 0.000 0.979 29 E CA 0.591 56.874 56.400 -0.195 0.000 0.814 29 E CB -0.209 29.409 29.700 -0.137 0.000 0.762 29 E HN 0.130 nan 8.360 nan 0.000 0.460 30 K N 0.721 120.926 120.400 -0.325 0.000 2.097 30 K HA -0.069 4.240 4.320 -0.017 0.000 0.206 30 K C 2.189 178.648 176.600 -0.236 0.000 1.049 30 K CA 1.412 57.474 56.287 -0.375 0.000 0.933 30 K CB -0.150 32.288 32.500 -0.104 0.000 0.717 30 K HN 0.223 nan 8.250 nan 0.000 0.442 31 I N 1.016 121.501 120.570 -0.142 0.000 2.439 31 I HA -0.231 3.928 4.170 -0.017 0.000 0.251 31 I C 2.172 178.225 176.117 -0.107 0.000 1.139 31 I CA 1.122 62.368 61.300 -0.090 0.000 1.438 31 I CB -0.115 37.852 38.000 -0.056 0.000 1.085 31 I HN 0.096 nan 8.210 nan 0.000 0.427 32 K N 0.928 121.238 120.400 -0.149 0.000 2.097 32 K HA -0.073 4.237 4.320 -0.017 0.000 0.205 32 K C 2.293 178.788 176.600 -0.175 0.000 1.050 32 K CA 1.250 57.454 56.287 -0.137 0.000 0.938 32 K CB -0.133 32.288 32.500 -0.132 0.000 0.718 32 K HN 0.280 nan 8.250 nan 0.000 0.442 33 A N 1.545 124.177 122.820 -0.314 0.000 1.902 33 A HA -0.147 4.162 4.320 -0.017 0.000 0.217 33 A C 2.094 179.597 177.584 -0.136 0.000 1.181 33 A CA 1.235 53.062 52.037 -0.350 0.000 0.623 33 A CB -0.616 17.921 19.000 -0.772 0.000 0.818 33 A HN 0.139 nan 8.150 nan 0.000 0.443 34 L N -0.534 120.634 121.223 -0.091 0.000 1.976 34 L HA -0.184 4.146 4.340 -0.017 0.000 0.209 34 L C 2.535 179.424 176.870 0.032 0.000 1.071 34 L CA 1.415 56.262 54.840 0.012 0.000 0.746 34 L CB -0.929 41.160 42.059 0.049 0.000 0.890 34 L HN 0.236 nan 8.230 nan 0.000 0.432 35 V N 0.028 119.954 119.914 0.020 0.000 2.317 35 V HA -0.338 3.771 4.120 -0.017 0.000 0.251 35 V C 2.416 178.526 176.094 0.027 0.000 1.065 35 V CA 2.090 64.415 62.300 0.042 0.000 1.049 35 V CB -0.626 31.202 31.823 0.009 0.000 0.651 35 V HN 0.480 nan 8.190 nan 0.000 0.450 36 E N -0.464 119.734 120.200 -0.003 0.000 2.107 36 E HA -0.125 4.215 4.350 -0.017 0.000 0.191 36 E C 2.189 178.795 176.600 0.010 0.000 0.982 36 E CA 1.259 57.659 56.400 -0.000 0.000 0.809 36 E CB -0.132 29.561 29.700 -0.013 0.000 0.756 36 E HN 0.584 nan 8.360 nan 0.000 0.459 37 I N 0.512 121.092 120.570 0.016 0.000 2.233 37 I HA -0.268 3.891 4.170 -0.017 0.000 0.243 37 I C 2.292 178.396 176.117 -0.021 0.000 1.093 37 I CA 0.643 61.959 61.300 0.026 0.000 1.380 37 I CB -0.176 37.861 38.000 0.062 0.000 1.067 37 I HN 0.218 nan 8.210 nan 0.000 0.413 38 C N -0.179 119.096 119.300 -0.041 0.000 2.432 38 C HA -0.123 4.327 4.460 -0.017 0.000 0.282 38 C C 3.045 177.920 174.990 -0.192 0.000 1.388 38 C CA 1.392 60.294 59.018 -0.192 0.000 1.777 38 C CB -1.197 26.416 27.740 -0.211 0.000 1.882 38 C HN 0.540 nan 8.230 nan 0.000 0.520 39 T N 0.068 114.599 114.554 -0.038 0.000 2.857 39 T HA -0.122 4.217 4.350 -0.017 0.000 0.266 39 T C 1.740 176.423 174.700 -0.028 0.000 1.048 39 T CA 1.649 63.751 62.100 0.003 0.000 1.139 39 T CB -0.209 68.677 68.868 0.030 0.000 0.874 39 T HN 0.419 nan 8.240 nan 0.000 0.455 40 E N 0.640 120.823 120.200 -0.028 0.000 2.106 40 E HA 0.048 4.387 4.350 -0.017 0.000 0.192 40 E C 2.128 178.699 176.600 -0.049 0.000 0.984 40 E CA 1.154 57.543 56.400 -0.019 0.000 0.806 40 E CB -0.357 29.346 29.700 0.004 0.000 0.750 40 E HN 0.550 nan 8.360 nan 0.000 0.458 41 M N -0.222 119.317 119.600 -0.102 0.000 2.132 41 M HA -0.146 4.323 4.480 -0.017 0.000 0.263 41 M C 2.245 178.438 176.300 -0.178 0.000 1.065 41 M CA 1.551 56.750 55.300 -0.169 0.000 1.122 41 M CB -0.121 32.312 32.600 -0.279 0.000 1.365 41 M HN 0.099 nan 8.290 nan 0.000 0.411 42 E N 0.599 120.688 120.200 -0.185 0.000 2.085 42 E HA -0.237 4.103 4.350 -0.017 0.000 0.194 42 E C 1.765 178.333 176.600 -0.053 0.000 0.994 42 E CA 1.388 57.718 56.400 -0.117 0.000 0.801 42 E CB 0.093 29.773 29.700 -0.033 0.000 0.743 42 E HN 0.417 nan 8.360 nan 0.000 0.453 43 K N 0.189 120.567 120.400 -0.037 0.000 2.103 43 K HA -0.159 4.150 4.320 -0.017 0.000 0.207 43 K C 1.832 178.422 176.600 -0.016 0.000 1.048 43 K CA 1.554 57.832 56.287 -0.016 0.000 0.930 43 K CB -0.036 32.460 32.500 -0.007 0.000 0.716 43 K HN 0.234 nan 8.250 nan 0.000 0.444 44 E N -0.730 119.454 120.200 -0.028 0.000 2.502 44 E HA 0.004 4.344 4.350 -0.017 0.000 0.194 44 E C 0.939 177.526 176.600 -0.021 0.000 1.062 44 E CA 0.306 56.697 56.400 -0.015 0.000 0.867 44 E CB 0.385 30.081 29.700 -0.007 0.000 0.888 44 E HN 0.503 nan 8.360 nan 0.000 0.510 45 G N 1.602 110.378 108.800 -0.039 0.000 2.225 45 G HA2 -0.368 3.582 3.960 -0.017 0.000 0.254 45 G HA3 -0.368 3.582 3.960 -0.017 0.000 0.254 45 G C 1.118 175.979 174.900 -0.064 0.000 0.988 45 G CA 0.708 45.788 45.100 -0.034 0.000 0.625 45 G HN 0.128 nan 8.290 nan 0.000 0.527 46 K N 0.410 120.739 120.400 -0.118 0.000 2.160 46 K HA 0.133 4.442 4.320 -0.017 0.000 0.206 46 K C 1.517 177.952 176.600 -0.275 0.000 1.047 46 K CA 1.829 57.989 56.287 -0.212 0.000 0.930 46 K CB -0.250 32.023 32.500 -0.379 0.000 0.720 46 K HN 1.025 nan 8.250 nan 0.000 0.450 47 I N -5.822 114.584 120.570 -0.274 0.000 3.195 47 I HA 0.478 4.638 4.170 -0.017 0.000 0.313 47 I C -1.064 174.982 176.117 -0.118 0.000 1.237 47 I CA -0.993 60.140 61.300 -0.277 0.000 0.963 47 I CB 2.668 40.366 38.000 -0.504 0.000 1.278 47 I HN -0.385 nan 8.210 nan 0.000 0.460 48 S N 1.191 116.899 115.700 0.013 0.000 2.546 48 S HA 0.399 4.859 4.470 -0.017 0.000 0.272 48 S C -0.951 173.772 174.600 0.205 0.000 1.140 48 S CA -0.821 57.444 58.200 0.109 0.000 0.920 48 S CB 1.973 65.195 63.200 0.036 0.000 1.083 48 S HN 0.524 nan 8.310 nan 0.000 0.476 49 K N 2.815 123.306 120.400 0.151 0.000 2.447 49 K HA 0.186 4.496 4.320 -0.017 0.000 0.281 49 K C 0.159 176.684 176.600 -0.125 0.000 1.031 49 K CA 0.260 56.436 56.287 -0.184 0.000 1.019 49 K CB -0.084 32.261 32.500 -0.258 0.000 0.918 49 K HN 0.564 nan 8.250 nan 0.000 0.476 50 I N -0.488 119.983 120.570 -0.164 0.000 2.577 50 I HA 0.441 4.601 4.170 -0.017 0.000 0.305 50 I C 0.707 176.748 176.117 -0.127 0.000 0.986 50 I CA -1.033 60.201 61.300 -0.111 0.000 1.189 50 I CB 1.286 39.234 38.000 -0.086 0.000 1.355 50 I HN 0.474 nan 8.210 nan 0.000 0.476 51 G N 3.001 111.744 108.800 -0.094 0.000 2.699 51 G HA2 0.258 4.208 3.960 -0.017 0.000 0.246 51 G HA3 0.258 4.208 3.960 -0.017 0.000 0.246 51 G C -1.417 173.426 174.900 -0.096 0.000 1.219 51 G CA -0.975 44.070 45.100 -0.091 0.000 0.866 51 G HN 0.713 nan 8.290 nan 0.000 0.572 52 P HA 0.000 nan 4.420 nan 0.000 0.239 52 P C 0.664 177.915 177.300 -0.082 0.000 1.184 52 P CA 0.470 63.518 63.100 -0.086 0.000 0.760 52 P CB 0.463 32.118 31.700 -0.075 0.000 0.884 53 E N 1.493 121.645 120.200 -0.079 0.000 1.964 53 E HA -0.162 4.178 4.350 -0.017 0.000 0.209 53 E C 1.692 178.231 176.600 -0.101 0.000 0.988 53 E CA 1.478 57.831 56.400 -0.079 0.000 0.875 53 E CB -0.628 29.031 29.700 -0.069 0.000 0.813 53 E HN 0.341 nan 8.360 nan 0.000 0.533 54 N N -1.409 117.218 118.700 -0.121 0.000 1.938 54 N HA 0.084 4.814 4.740 -0.017 0.000 0.225 54 N C -2.427 172.919 175.510 -0.274 0.000 1.400 54 N CA -0.361 52.572 53.050 -0.194 0.000 0.772 54 N CB 0.365 38.724 38.487 -0.213 0.000 1.124 54 N HN -0.019 nan 8.380 nan 0.000 0.513 55 P HA -0.053 nan 4.420 nan 0.000 0.264 55 P C -0.279 176.998 177.300 -0.039 0.000 1.173 55 P CA 0.517 63.622 63.100 0.008 0.000 0.761 55 P CB 0.216 31.948 31.700 0.054 0.000 0.794 56 Y N 1.086 121.401 120.300 0.025 0.000 2.555 56 Y HA 0.298 4.838 4.550 -0.016 0.000 0.447 56 Y C 1.242 177.176 175.900 0.058 0.000 1.389 56 Y CA -0.033 58.099 58.100 0.054 0.000 2.017 56 Y CB -0.317 38.206 38.460 0.105 0.000 1.787 56 Y HN 0.372 nan 8.280 nan 0.000 0.655 57 N N -2.471 116.381 118.700 0.253 0.000 2.598 57 N HA 0.456 5.185 4.740 -0.017 0.000 0.263 57 N C -2.022 173.577 175.510 0.148 0.000 1.254 57 N CA -0.471 52.682 53.050 0.173 0.000 0.863 57 N CB 1.879 40.420 38.487 0.089 0.000 1.586 57 N HN 0.523 nan 8.380 nan 0.000 0.491 58 T N 2.354 116.987 114.554 0.131 0.000 2.881 58 T HA 0.517 4.857 4.350 -0.017 0.000 0.290 58 T C -2.834 171.860 174.700 -0.010 0.000 1.000 58 T CA -0.897 61.231 62.100 0.047 0.000 0.978 58 T CB 2.033 70.887 68.868 -0.023 0.000 0.997 58 T HN 0.386 nan 8.240 nan 0.000 0.443 59 P HA 0.176 nan 4.420 nan 0.000 0.266 59 P C -0.817 176.364 177.300 -0.199 0.000 1.195 59 P CA -0.154 62.870 63.100 -0.126 0.000 0.768 59 P CB 0.568 32.273 31.700 0.007 0.000 0.838 60 V N 3.561 123.240 119.914 -0.391 0.000 2.815 60 V HA 0.608 4.718 4.120 -0.017 0.000 0.314 60 V C 0.047 175.744 176.094 -0.662 0.000 1.064 60 V CA -0.336 61.796 62.300 -0.280 0.000 0.952 60 V CB 1.244 33.047 31.823 -0.032 0.000 1.020 60 V HN 0.465 nan 8.190 nan 0.000 0.439 61 F N 0.077 120.060 119.950 0.055 0.000 2.745 61 F HA 0.870 5.388 4.527 -0.015 0.000 0.316 61 F C -0.029 175.839 175.800 0.113 0.000 1.155 61 F CA -0.698 57.353 58.000 0.085 0.000 0.937 61 F CB 2.027 41.071 39.000 0.074 0.000 1.361 61 F HN 0.662 nan 8.300 nan 0.000 0.472 62 A N 1.594 124.639 122.820 0.375 0.000 2.459 62 A HA 0.834 5.144 4.320 -0.017 0.000 0.296 62 A C -1.891 175.994 177.584 0.502 0.000 1.039 62 A CA -0.490 51.773 52.037 0.376 0.000 0.698 62 A CB 1.193 20.359 19.000 0.277 0.000 1.261 62 A HN 0.500 nan 8.150 nan 0.000 0.405 63 I N 1.816 122.636 120.570 0.417 0.000 2.785 63 I HA 0.364 4.524 4.170 -0.017 0.000 0.302 63 I C 0.074 176.103 176.117 -0.147 0.000 1.069 63 I CA -0.890 60.518 61.300 0.180 0.000 1.045 63 I CB 2.200 40.237 38.000 0.062 0.000 1.236 63 I HN 0.833 nan 8.210 nan 0.000 0.429 64 K N 4.214 124.284 120.400 -0.551 0.000 2.419 64 K HA 0.069 4.379 4.320 -0.017 0.000 0.282 64 K C -0.051 176.330 176.600 -0.365 0.000 1.056 64 K CA -0.293 55.519 56.287 -0.793 0.000 1.035 64 K CB 0.643 32.785 32.500 -0.597 0.000 0.921 64 K HN 0.617 nan 8.250 nan 0.000 0.472 65 K N 2.721 122.946 120.400 -0.292 0.000 2.156 65 K HA -0.043 4.267 4.320 -0.017 0.000 0.242 65 K C 0.222 176.740 176.600 -0.136 0.000 1.033 65 K CA -0.260 55.944 56.287 -0.139 0.000 0.878 65 K CB 0.578 33.034 32.500 -0.073 0.000 1.057 65 K HN 0.594 nan 8.250 nan 0.000 0.505 66 K N 1.227 121.574 120.400 -0.089 0.000 3.025 66 K HA -0.038 4.271 4.320 -0.017 0.000 0.260 66 K C -1.275 175.284 176.600 -0.068 0.000 1.023 66 K CA 0.275 56.515 56.287 -0.078 0.000 1.194 66 K CB -0.501 31.964 32.500 -0.058 0.000 1.094 66 K HN 0.597 nan 8.250 nan 0.000 0.460 67 D N -1.796 118.555 120.400 -0.082 0.000 2.878 67 D HA 0.074 4.704 4.640 -0.017 0.000 0.211 67 D C -0.536 175.711 176.300 -0.087 0.000 1.271 67 D CA -0.424 53.540 54.000 -0.061 0.000 0.845 67 D CB 1.721 42.499 40.800 -0.037 0.000 1.679 67 D HN -0.165 nan 8.370 nan 0.000 0.536 68 S N 1.340 116.995 115.700 -0.074 0.000 2.605 68 S HA 0.076 4.535 4.470 -0.017 0.000 0.217 68 S C 1.254 175.827 174.600 -0.046 0.000 0.958 68 S CA 0.342 58.481 58.200 -0.101 0.000 0.919 68 S CB 0.171 63.314 63.200 -0.095 0.000 0.780 68 S HN 0.593 nan 8.310 nan 0.000 0.507 69 T N 1.462 116.016 114.554 0.000 0.000 3.009 69 T HA 0.139 4.478 4.350 -0.017 0.000 0.258 69 T C 0.470 175.236 174.700 0.109 0.000 1.063 69 T CA 0.762 62.897 62.100 0.059 0.000 1.139 69 T CB 0.196 69.097 68.868 0.057 0.000 0.890 69 T HN 0.231 nan 8.240 nan 0.000 0.471 70 K N 0.482 120.922 120.400 0.068 0.000 2.159 70 K HA 0.406 4.716 4.320 -0.017 0.000 0.266 70 K C -1.170 175.495 176.600 0.109 0.000 0.975 70 K CA -0.662 55.704 56.287 0.131 0.000 0.865 70 K CB 1.208 33.766 32.500 0.097 0.000 1.087 70 K HN 0.124 nan 8.250 nan 0.000 0.446 71 W N 1.093 122.413 121.300 0.034 0.000 2.367 71 W HA 0.481 5.133 4.660 -0.014 0.000 0.369 71 W C 0.054 176.601 176.519 0.046 0.000 1.276 71 W CA -0.252 57.117 57.345 0.040 0.000 1.415 71 W CB 0.876 30.363 29.460 0.045 0.000 1.306 71 W HN 0.221 nan 8.180 nan 0.000 0.669 72 R N 1.361 122.065 120.500 0.340 0.000 2.538 72 R HA 0.268 4.598 4.340 -0.017 0.000 0.292 72 R C -0.800 175.642 176.300 0.237 0.000 1.008 72 R CA -1.153 55.080 56.100 0.222 0.000 0.896 72 R CB 1.251 31.626 30.300 0.124 0.000 1.187 72 R HN 0.419 nan 8.270 nan 0.000 0.440 73 K N 2.746 123.265 120.400 0.199 0.000 2.258 73 K HA 0.471 4.780 4.320 -0.017 0.000 0.264 73 K C -1.041 175.657 176.600 0.163 0.000 1.007 73 K CA -0.392 55.999 56.287 0.174 0.000 0.941 73 K CB 0.675 33.260 32.500 0.142 0.000 0.966 73 K HN 0.381 nan 8.250 nan 0.000 0.480 74 L N 3.118 124.430 121.223 0.147 0.000 2.588 74 L HA 0.404 4.734 4.340 -0.017 0.000 0.263 74 L C -1.982 174.942 176.870 0.090 0.000 0.935 74 L CA -0.504 54.416 54.840 0.132 0.000 0.891 74 L CB 2.012 44.164 42.059 0.155 0.000 1.318 74 L HN 0.508 nan 8.230 nan 0.000 0.409 75 V N 3.049 122.950 119.914 -0.023 0.000 2.513 75 V HA 0.484 4.593 4.120 -0.017 0.000 0.299 75 V C -0.790 175.163 176.094 -0.235 0.000 1.035 75 V CA -0.436 61.702 62.300 -0.270 0.000 0.889 75 V CB 1.832 33.212 31.823 -0.738 0.000 0.988 75 V HN 0.821 nan 8.190 nan 0.000 0.440 76 D N 2.383 122.677 120.400 -0.176 0.000 2.493 76 D HA 0.359 4.989 4.640 -0.017 0.000 0.235 76 D C 0.325 176.583 176.300 -0.069 0.000 1.117 76 D CA -0.230 53.751 54.000 -0.032 0.000 0.930 76 D CB 0.260 41.120 40.800 0.100 0.000 1.010 76 D HN 0.400 nan 8.370 nan 0.000 0.514 77 F N 1.455 121.473 119.950 0.113 0.000 2.802 77 F HA 0.142 4.659 4.527 -0.017 0.000 0.300 77 F C 2.392 178.270 175.800 0.130 0.000 1.168 77 F CA -0.248 57.833 58.000 0.135 0.000 1.433 77 F CB -0.027 39.088 39.000 0.191 0.000 1.115 77 F HN 0.316 nan 8.300 nan 0.000 0.582 78 R N 0.942 121.583 120.500 0.235 0.000 2.196 78 R HA -0.313 4.017 4.340 -0.017 0.000 0.259 78 R C 2.077 178.467 176.300 0.150 0.000 1.154 78 R CA 2.242 58.436 56.100 0.157 0.000 0.976 78 R CB -0.223 30.134 30.300 0.095 0.000 0.888 78 R HN 0.167 nan 8.270 nan 0.000 0.453 79 E N -0.115 120.177 120.200 0.154 0.000 2.112 79 E HA -0.106 4.234 4.350 -0.017 0.000 0.190 79 E C 1.666 178.362 176.600 0.160 0.000 0.979 79 E CA 0.738 57.215 56.400 0.128 0.000 0.814 79 E CB -0.189 29.572 29.700 0.102 0.000 0.762 79 E HN 0.306 nan 8.360 nan 0.000 0.460 80 L N 0.856 122.231 121.223 0.252 0.000 2.044 80 L HA -0.071 4.259 4.340 -0.017 0.000 0.205 80 L C 1.458 178.512 176.870 0.307 0.000 1.075 80 L CA 1.654 56.667 54.840 0.287 0.000 0.747 80 L CB -0.874 41.442 42.059 0.429 0.000 0.903 80 L HN 0.071 nan 8.230 nan 0.000 0.435 81 N N 0.290 119.175 118.700 0.308 0.000 2.137 81 N HA -0.267 4.462 4.740 -0.017 0.000 0.190 81 N C 1.806 177.389 175.510 0.121 0.000 1.017 81 N CA 1.600 54.766 53.050 0.194 0.000 0.859 81 N CB -0.337 38.232 38.487 0.136 0.000 1.002 81 N HN 0.472 nan 8.380 nan 0.000 0.428 82 K N 0.926 121.393 120.400 0.111 0.000 2.155 82 K HA 0.026 4.336 4.320 -0.017 0.000 0.203 82 K C 1.397 178.031 176.600 0.057 0.000 1.052 82 K CA 0.861 57.188 56.287 0.068 0.000 0.948 82 K CB 0.145 32.681 32.500 0.059 0.000 0.728 82 K HN 0.084 nan 8.250 nan 0.000 0.448 83 R N 0.237 120.781 120.500 0.073 0.000 2.317 83 R HA 0.086 4.415 4.340 -0.017 0.000 0.208 83 R C -0.107 176.232 176.300 0.063 0.000 0.914 83 R CA 0.186 56.308 56.100 0.037 0.000 1.060 83 R CB 0.586 30.879 30.300 -0.012 0.000 1.015 83 R HN 0.029 nan 8.270 nan 0.000 0.498 84 T N 1.979 116.614 114.554 0.135 0.000 2.882 84 T HA 0.094 4.434 4.350 -0.017 0.000 0.287 84 T C -0.069 174.637 174.700 0.009 0.000 0.992 84 T CA -0.681 61.525 62.100 0.177 0.000 1.076 84 T CB 1.490 70.575 68.868 0.362 0.000 0.961 84 T HN 0.224 nan 8.240 nan 0.000 0.490 85 Q N 2.264 122.006 119.800 -0.096 0.000 2.428 85 Q HA 0.092 4.421 4.340 -0.017 0.000 0.276 85 Q C -0.724 175.039 176.000 -0.395 0.000 1.059 85 Q CA -0.283 55.366 55.803 -0.256 0.000 0.923 85 Q CB 0.360 28.878 28.738 -0.365 0.000 1.283 85 Q HN 0.402 nan 8.270 nan 0.000 0.447 86 D N 1.042 121.264 120.400 -0.297 0.000 2.362 86 D HA 0.244 4.874 4.640 -0.017 0.000 0.242 86 D C -0.817 175.240 176.300 -0.406 0.000 1.132 86 D CA 0.281 54.152 54.000 -0.215 0.000 0.907 86 D CB 0.377 41.117 40.800 -0.100 0.000 1.195 86 D HN 0.382 nan 8.370 nan 0.000 0.429 87 F N -0.302 119.598 119.950 -0.083 0.000 2.618 87 F HA 0.270 4.787 4.527 -0.017 0.000 0.332 87 F C 0.192 176.031 175.800 0.064 0.000 1.061 87 F CA -1.214 56.758 58.000 -0.046 0.000 0.974 87 F CB 1.018 39.934 39.000 -0.140 0.000 1.310 87 F HN 0.287 nan 8.300 nan 0.000 0.491 88 W N 3.388 124.756 121.300 0.112 0.000 2.397 88 W HA 0.095 4.745 4.660 -0.017 0.000 0.327 88 W C -0.475 176.062 176.519 0.031 0.000 1.421 88 W CA -0.462 56.906 57.345 0.038 0.000 1.288 88 W CB 0.499 29.972 29.460 0.022 0.000 1.312 88 W HN 0.558 nan 8.180 nan 0.000 0.559 89 E N 4.649 124.594 120.200 -0.424 0.000 2.415 89 E HA -0.010 4.329 4.350 -0.017 0.000 0.260 89 E C 0.563 176.737 176.600 -0.710 0.000 1.016 89 E CA -0.249 55.844 56.400 -0.511 0.000 0.924 89 E CB 0.786 30.215 29.700 -0.452 0.000 0.961 89 E HN 0.409 nan 8.360 nan 0.000 0.459 90 V N 1.434 121.112 119.914 -0.393 0.000 3.178 90 V HA -0.095 4.015 4.120 -0.017 0.000 0.306 90 V C 0.498 176.431 176.094 -0.268 0.000 1.107 90 V CA -0.585 61.537 62.300 -0.296 0.000 1.195 90 V CB 0.386 32.101 31.823 -0.180 0.000 0.993 90 V HN 0.617 nan 8.190 nan 0.000 0.493 91 Q N 2.218 121.919 119.800 -0.165 0.000 2.413 91 Q HA -0.003 4.327 4.340 -0.017 0.000 0.298 91 Q C 0.913 176.890 176.000 -0.038 0.000 1.186 91 Q CA 0.260 56.015 55.803 -0.080 0.000 1.014 91 Q CB 0.217 28.974 28.738 0.032 0.000 1.130 91 Q HN 0.815 nan 8.270 nan 0.000 0.410 92 L N 0.926 122.107 121.223 -0.070 0.000 2.156 92 L HA 0.148 4.478 4.340 -0.017 0.000 0.208 92 L C 1.042 177.929 176.870 0.029 0.000 1.095 92 L CA 1.120 55.940 54.840 -0.034 0.000 0.770 92 L CB -0.710 41.311 42.059 -0.063 0.000 0.914 92 L HN 0.370 nan 8.230 nan 0.000 0.439 93 G N -0.272 108.553 108.800 0.042 0.000 2.580 93 G HA2 0.595 4.545 3.960 -0.017 0.000 0.278 93 G HA3 0.595 4.545 3.960 -0.017 0.000 0.278 93 G C -0.770 174.214 174.900 0.140 0.000 1.212 93 G CA -0.490 44.657 45.100 0.078 0.000 0.939 93 G HN 0.122 nan 8.290 nan 0.000 0.513 94 I N 0.604 121.264 120.570 0.150 0.000 2.769 94 I HA 0.300 4.460 4.170 -0.017 0.000 0.298 94 I C -1.950 174.293 176.117 0.209 0.000 1.128 94 I CA -1.945 59.481 61.300 0.210 0.000 1.031 94 I CB 2.921 41.009 38.000 0.147 0.000 1.235 94 I HN 0.389 nan 8.210 nan 0.000 0.423 95 P HA 0.092 nan 4.420 nan 0.000 0.271 95 P C -1.030 176.326 177.300 0.093 0.000 1.220 95 P CA 0.106 63.304 63.100 0.164 0.000 0.768 95 P CB 0.592 32.410 31.700 0.196 0.000 0.848 96 H N 4.635 123.631 119.070 -0.124 0.000 2.620 96 H HA 0.150 4.696 4.556 -0.017 0.000 0.313 96 H C -1.631 173.406 175.328 -0.484 0.000 1.075 96 H CA -1.888 53.982 56.048 -0.296 0.000 1.397 96 H CB 1.159 30.722 29.762 -0.331 0.000 1.446 96 H HN 0.183 nan 8.280 nan 0.000 0.493 97 P HA -0.213 nan 4.420 nan 0.000 0.217 97 P C 0.933 177.974 177.300 -0.432 0.000 1.158 97 P CA 2.485 65.107 63.100 -0.797 0.000 0.887 97 P CB -0.001 30.713 31.700 -1.643 0.000 0.792 98 A N -1.089 121.529 122.820 -0.336 0.000 2.248 98 A HA 0.061 4.371 4.320 -0.017 0.000 0.210 98 A C 2.117 179.865 177.584 0.273 0.000 1.174 98 A CA 1.533 53.648 52.037 0.129 0.000 0.750 98 A CB -1.418 17.754 19.000 0.288 0.000 0.780 98 A HN 0.341 nan 8.150 nan 0.000 0.478 99 G N -0.966 107.837 108.800 0.003 0.000 2.833 99 G HA2 0.354 4.303 3.960 -0.017 0.000 0.210 99 G HA3 0.354 4.303 3.960 -0.017 0.000 0.210 99 G C 0.539 175.522 174.900 0.137 0.000 1.139 99 G CA -0.312 44.757 45.100 -0.053 0.000 0.771 99 G HN 0.387 nan 8.290 nan 0.000 0.535 100 L N 0.707 121.975 121.223 0.075 0.000 2.452 100 L HA 0.332 4.661 4.340 -0.017 0.000 0.267 100 L C 0.221 177.151 176.870 0.100 0.000 1.188 100 L CA -0.108 54.725 54.840 -0.012 0.000 0.821 100 L CB 0.746 42.597 42.059 -0.347 0.000 1.102 100 L HN -0.024 nan 8.230 nan 0.000 0.470 101 K N 1.186 121.619 120.400 0.055 0.000 2.118 101 K HA 0.314 4.623 4.320 -0.017 0.000 0.254 101 K C -0.694 175.878 176.600 -0.046 0.000 0.961 101 K CA -1.024 55.319 56.287 0.093 0.000 0.876 101 K CB 1.309 33.880 32.500 0.117 0.000 1.077 101 K HN 0.422 nan 8.250 nan 0.000 0.440 102 K N 1.713 122.135 120.400 0.036 0.000 2.491 102 K HA 0.032 4.342 4.320 -0.017 0.000 0.279 102 K C -0.669 175.924 176.600 -0.012 0.000 1.026 102 K CA 0.236 56.545 56.287 0.035 0.000 1.070 102 K CB 0.207 32.765 32.500 0.096 0.000 0.887 102 K HN 0.182 nan 8.250 nan 0.000 0.481 103 K N 2.657 123.035 120.400 -0.038 0.000 2.427 103 K HA 0.194 4.504 4.320 -0.017 0.000 0.252 103 K C 0.022 176.605 176.600 -0.028 0.000 0.931 103 K CA -0.666 55.602 56.287 -0.032 0.000 0.793 103 K CB 1.825 34.291 32.500 -0.057 0.000 1.211 103 K HN 0.480 nan 8.250 nan 0.000 0.426 104 K N 0.085 120.466 120.400 -0.032 0.000 2.057 104 K HA 0.009 4.319 4.320 -0.017 0.000 0.206 104 K C -0.106 176.433 176.600 -0.102 0.000 1.050 104 K CA 1.054 57.313 56.287 -0.046 0.000 0.935 104 K CB 0.108 32.586 32.500 -0.036 0.000 0.715 104 K HN 0.655 nan 8.250 nan 0.000 0.439 105 S N 0.049 115.633 115.700 -0.193 0.000 2.571 105 S HA 0.508 4.968 4.470 -0.017 0.000 0.284 105 S C -0.779 173.632 174.600 -0.315 0.000 1.128 105 S CA -1.095 56.898 58.200 -0.345 0.000 0.970 105 S CB 2.438 65.236 63.200 -0.669 0.000 1.039 105 S HN -0.139 nan 8.310 nan 0.000 0.485 106 V N 2.472 122.325 119.914 -0.102 0.000 2.525 106 V HA 0.596 4.706 4.120 -0.017 0.000 0.299 106 V C -0.484 175.719 176.094 0.182 0.000 1.034 106 V CA -0.305 62.035 62.300 0.067 0.000 0.863 106 V CB 2.031 33.916 31.823 0.104 0.000 0.999 106 V HN 1.059 nan 8.190 nan 0.000 0.423 107 T N 4.333 119.019 114.554 0.221 0.000 2.823 107 T HA 0.591 4.931 4.350 -0.017 0.000 0.279 107 T C -0.405 174.358 174.700 0.104 0.000 0.998 107 T CA -0.437 61.793 62.100 0.216 0.000 0.994 107 T CB 1.826 70.895 68.868 0.335 0.000 0.960 107 T HN 0.306 nan 8.240 nan 0.000 0.448 108 V N 4.881 124.839 119.914 0.073 0.000 2.370 108 V HA 0.466 4.576 4.120 -0.017 0.000 0.283 108 V C -0.355 175.795 176.094 0.094 0.000 1.023 108 V CA -0.705 61.621 62.300 0.043 0.000 0.857 108 V CB 0.982 32.749 31.823 -0.094 0.000 0.985 108 V HN 0.690 nan 8.190 nan 0.000 0.443 109 L N 4.484 125.727 121.223 0.033 0.000 2.333 109 L HA 0.582 4.912 4.340 -0.017 0.000 0.280 109 L C -0.991 175.873 176.870 -0.009 0.000 1.004 109 L CA -0.700 54.151 54.840 0.018 0.000 0.820 109 L CB 1.951 44.003 42.059 -0.012 0.000 1.247 109 L HN 0.550 nan 8.230 nan 0.000 0.416 110 D N 2.501 122.912 120.400 0.018 0.000 2.274 110 D HA 0.324 4.954 4.640 -0.017 0.000 0.239 110 D C -0.217 176.084 176.300 0.001 0.000 1.104 110 D CA -0.238 53.768 54.000 0.009 0.000 0.840 110 D CB 1.938 42.753 40.800 0.025 0.000 1.100 110 D HN 0.023 nan 8.370 nan 0.000 0.477 111 V N 1.929 121.842 119.914 -0.001 0.000 2.614 111 V HA 0.509 4.618 4.120 -0.017 0.000 0.291 111 V C 1.136 177.219 176.094 -0.019 0.000 1.049 111 V CA -0.457 61.857 62.300 0.023 0.000 1.038 111 V CB 1.299 33.184 31.823 0.104 0.000 0.980 111 V HN 0.643 nan 8.190 nan 0.000 0.481 112 G N 1.616 110.418 108.800 0.002 0.000 2.356 112 G HA2 0.531 4.480 3.960 -0.017 0.000 0.322 112 G HA3 0.531 4.480 3.960 -0.017 0.000 0.322 112 G C -0.311 174.579 174.900 -0.017 0.000 1.125 112 G CA -0.320 44.768 45.100 -0.020 0.000 0.885 112 G HN 0.826 nan 8.290 nan 0.000 0.467 113 D N 0.020 120.376 120.400 -0.074 0.000 2.746 113 D HA -0.203 4.427 4.640 -0.017 0.000 0.236 113 D C 1.728 177.985 176.300 -0.072 0.000 1.129 113 D CA 1.157 55.116 54.000 -0.069 0.000 0.691 113 D CB -0.974 39.883 40.800 0.094 0.000 1.077 113 D HN 0.700 nan 8.370 nan 0.000 0.432 114 A N -0.338 122.359 122.820 -0.205 0.000 1.870 114 A HA -0.319 3.991 4.320 -0.017 0.000 0.219 114 A C 1.828 179.396 177.584 -0.026 0.000 1.224 114 A CA 1.891 53.778 52.037 -0.249 0.000 0.650 114 A CB -0.742 17.807 19.000 -0.752 0.000 0.836 114 A HN 0.445 nan 8.150 nan 0.000 0.454 115 Y N -1.093 119.001 120.300 -0.343 0.000 2.181 115 Y HA -0.106 4.434 4.550 -0.018 0.000 0.288 115 Y C 2.226 178.244 175.900 0.197 0.000 1.146 115 Y CA 0.328 58.366 58.100 -0.103 0.000 1.164 115 Y CB -1.219 37.133 38.460 -0.180 0.000 0.982 115 Y HN 0.414 nan 8.280 nan 0.000 0.515 116 F N -0.897 119.178 119.950 0.207 0.000 2.771 116 F HA -0.110 4.408 4.527 -0.016 0.000 0.299 116 F C 1.835 177.729 175.800 0.157 0.000 1.177 116 F CA 0.222 58.329 58.000 0.178 0.000 1.450 116 F CB -0.027 39.057 39.000 0.140 0.000 1.114 116 F HN -0.048 nan 8.300 nan 0.000 0.587 117 S N -0.529 115.380 115.700 0.348 0.000 2.548 117 S HA 0.097 4.557 4.470 -0.017 0.000 0.215 117 S C 0.436 175.189 174.600 0.256 0.000 0.976 117 S CA 0.047 58.409 58.200 0.270 0.000 0.908 117 S CB 0.352 63.702 63.200 0.250 0.000 0.781 117 S HN -0.107 nan 8.310 nan 0.000 0.519 118 V N 4.763 124.844 119.914 0.279 0.000 2.417 118 V HA 0.368 4.477 4.120 -0.017 0.000 0.291 118 V C -2.341 173.860 176.094 0.178 0.000 1.024 118 V CA -2.354 60.075 62.300 0.216 0.000 0.861 118 V CB 1.559 33.515 31.823 0.222 0.000 0.985 118 V HN 0.087 nan 8.190 nan 0.000 0.436 119 P HA 0.143 nan 4.420 nan 0.000 0.269 119 P C -0.843 176.521 177.300 0.106 0.000 1.215 119 P CA -0.279 62.892 63.100 0.119 0.000 0.780 119 P CB 1.328 33.092 31.700 0.106 0.000 0.898 120 L N 2.286 123.566 121.223 0.096 0.000 2.309 120 L HA 0.394 4.724 4.340 -0.017 0.000 0.282 120 L C -0.041 176.882 176.870 0.089 0.000 1.036 120 L CA -0.646 54.239 54.840 0.076 0.000 0.806 120 L CB 0.634 42.719 42.059 0.044 0.000 1.220 120 L HN 0.231 nan 8.230 nan 0.000 0.429 121 D N 2.878 123.338 120.400 0.100 0.000 2.662 121 D HA -0.128 4.501 4.640 -0.017 0.000 0.237 121 D C 1.123 177.503 176.300 0.133 0.000 1.154 121 D CA 0.829 54.901 54.000 0.120 0.000 0.861 121 D CB 0.755 41.639 40.800 0.139 0.000 1.146 121 D HN 0.751 nan 8.370 nan 0.000 0.518 122 E N 2.454 122.712 120.200 0.097 0.000 2.086 122 E HA -0.259 4.081 4.350 -0.017 0.000 0.205 122 E C 1.087 177.730 176.600 0.073 0.000 1.027 122 E CA 2.020 58.464 56.400 0.074 0.000 0.830 122 E CB 0.149 29.883 29.700 0.057 0.000 0.751 122 E HN 0.605 nan 8.360 nan 0.000 0.456 123 D N -0.941 119.520 120.400 0.102 0.000 2.309 123 D HA -0.153 4.476 4.640 -0.017 0.000 0.212 123 D C 1.278 177.656 176.300 0.129 0.000 0.968 123 D CA 0.663 54.723 54.000 0.100 0.000 0.882 123 D CB -0.052 40.831 40.800 0.139 0.000 0.918 123 D HN 0.210 nan 8.370 nan 0.000 0.503 124 F N 1.106 121.070 119.950 0.022 0.000 2.749 124 F HA 0.174 4.691 4.527 -0.016 0.000 0.300 124 F C 2.011 177.777 175.800 -0.058 0.000 1.103 124 F CA -0.199 57.841 58.000 0.067 0.000 1.342 124 F CB 0.211 39.258 39.000 0.078 0.000 1.098 124 F HN -0.289 nan 8.300 nan 0.000 0.586 125 R N 1.037 121.504 120.500 -0.055 0.000 2.083 125 R HA -0.194 4.136 4.340 -0.017 0.000 0.237 125 R C 2.262 178.449 176.300 -0.189 0.000 1.137 125 R CA 2.018 58.070 56.100 -0.080 0.000 0.951 125 R CB -0.505 29.793 30.300 -0.002 0.000 0.851 125 R HN 0.330 nan 8.270 nan 0.000 0.434 126 K N 0.138 120.352 120.400 -0.308 0.000 2.228 126 K HA -0.226 4.084 4.320 -0.017 0.000 0.205 126 K C 1.229 177.634 176.600 -0.325 0.000 1.045 126 K CA 1.912 58.011 56.287 -0.313 0.000 0.931 126 K CB -0.478 31.796 32.500 -0.377 0.000 0.727 126 K HN 0.368 nan 8.250 nan 0.000 0.458 127 Y N 2.000 122.104 120.300 -0.326 0.000 2.529 127 Y HA -0.001 4.540 4.550 -0.016 0.000 0.290 127 Y C 1.963 177.747 175.900 -0.193 0.000 1.177 127 Y CA 0.728 58.558 58.100 -0.451 0.000 1.305 127 Y CB 0.151 38.097 38.460 -0.857 0.000 1.047 127 Y HN 0.285 nan 8.280 nan 0.000 0.522 128 T N -2.549 112.021 114.554 0.027 0.000 3.122 128 T HA 0.437 4.777 4.350 -0.017 0.000 0.250 128 T C 0.909 175.890 174.700 0.468 0.000 1.067 128 T CA -0.076 62.190 62.100 0.278 0.000 0.966 128 T CB -0.311 68.714 68.868 0.262 0.000 1.002 128 T HN 0.198 nan 8.240 nan 0.000 0.542 129 A N 1.997 125.015 122.820 0.331 0.000 2.561 129 A HA 0.503 4.813 4.320 -0.017 0.000 0.234 129 A C -0.008 177.831 177.584 0.425 0.000 1.055 129 A CA -0.225 52.008 52.037 0.326 0.000 0.756 129 A CB -0.557 18.543 19.000 0.167 0.000 0.986 129 A HN 0.752 nan 8.150 nan 0.000 0.505 130 F N -0.701 119.321 119.950 0.120 0.000 2.662 130 F HA 0.829 5.348 4.527 -0.014 0.000 0.312 130 F C -0.286 175.545 175.800 0.052 0.000 1.113 130 F CA -0.665 57.379 58.000 0.073 0.000 0.951 130 F CB 1.361 40.406 39.000 0.075 0.000 1.344 130 F HN 0.605 nan 8.300 nan 0.000 0.462 131 T N 0.455 115.034 114.554 0.041 0.000 2.971 131 T HA 0.668 5.008 4.350 -0.017 0.000 0.304 131 T C -0.695 174.009 174.700 0.006 0.000 1.038 131 T CA -0.666 61.383 62.100 -0.085 0.000 1.007 131 T CB 1.312 70.133 68.868 -0.079 0.000 1.055 131 T HN 1.026 nan 8.240 nan 0.000 0.451 132 I N 0.562 121.125 120.570 -0.012 0.000 2.325 132 I HA 0.526 4.686 4.170 -0.017 0.000 0.291 132 I C -2.529 173.574 176.117 -0.024 0.000 1.019 132 I CA -2.629 58.683 61.300 0.020 0.000 1.302 132 I CB 0.486 38.520 38.000 0.057 0.000 1.401 132 I HN 0.277 nan 8.210 nan 0.000 0.485 133 P HA -0.020 nan 4.420 nan 0.000 0.271 133 P C 0.026 177.310 177.300 -0.028 0.000 1.233 133 P CA -0.042 63.047 63.100 -0.018 0.000 0.795 133 P CB 0.561 32.258 31.700 -0.005 0.000 0.936 134 S N -0.474 115.209 115.700 -0.027 0.000 2.646 134 S HA 0.246 4.706 4.470 -0.017 0.000 0.273 134 S C 1.640 176.223 174.600 -0.030 0.000 1.168 134 S CA -0.631 57.549 58.200 -0.033 0.000 1.013 134 S CB -0.278 62.903 63.200 -0.031 0.000 1.098 134 S HN 0.290 nan 8.310 nan 0.000 0.544 135 I N 1.222 121.773 120.570 -0.030 0.000 2.052 135 I HA -0.133 4.027 4.170 -0.017 0.000 0.235 135 I C 0.663 176.766 176.117 -0.024 0.000 1.046 135 I CA 1.344 62.628 61.300 -0.028 0.000 1.308 135 I CB -0.219 37.765 38.000 -0.027 0.000 1.031 135 I HN 0.543 nan 8.210 nan 0.000 0.395 136 N N 0.012 118.699 118.700 -0.021 0.000 3.321 136 N HA 0.051 4.780 4.740 -0.017 0.000 0.217 136 N C -0.551 174.948 175.510 -0.018 0.000 1.405 136 N CA -0.136 52.902 53.050 -0.019 0.000 0.799 136 N CB -0.076 38.400 38.487 -0.018 0.000 1.619 136 N HN 0.341 nan 8.380 nan 0.000 0.648 137 N N 0.864 119.554 118.700 -0.016 0.000 2.782 137 N HA -0.203 4.526 4.740 -0.017 0.000 0.251 137 N C -0.145 175.355 175.510 -0.016 0.000 1.101 137 N CA 1.511 54.552 53.050 -0.014 0.000 0.764 137 N CB -0.136 38.341 38.487 -0.017 0.000 1.122 137 N HN 0.724 nan 8.380 nan 0.000 0.561 138 E N -0.781 119.407 120.200 -0.019 0.000 2.357 138 E HA 0.094 4.433 4.350 -0.017 0.000 0.190 138 E C 0.329 176.915 176.600 -0.024 0.000 1.022 138 E CA 0.071 56.458 56.400 -0.021 0.000 1.068 138 E CB 0.008 29.695 29.700 -0.022 0.000 1.465 138 E HN 0.124 nan 8.360 nan 0.000 0.503 139 T N 2.630 117.167 114.554 -0.029 0.000 2.897 139 T HA 0.076 4.415 4.350 -0.017 0.000 0.294 139 T C -1.787 172.889 174.700 -0.039 0.000 1.004 139 T CA -1.962 60.116 62.100 -0.036 0.000 1.106 139 T CB 1.113 69.956 68.868 -0.042 0.000 0.949 139 T HN -0.030 nan 8.240 nan 0.000 0.520 140 P HA -0.032 nan 4.420 nan 0.000 0.218 140 P C 0.639 177.903 177.300 -0.060 0.000 1.146 140 P CA 1.337 64.406 63.100 -0.050 0.000 0.820 140 P CB -0.369 31.296 31.700 -0.059 0.000 0.778 141 G N 0.632 109.388 108.800 -0.072 0.000 2.719 141 G HA2 -0.098 3.851 3.960 -0.017 0.000 0.686 141 G HA3 -0.098 3.851 3.960 -0.017 0.000 0.686 141 G C -0.513 174.306 174.900 -0.136 0.000 1.201 141 G CA -0.332 44.717 45.100 -0.086 0.000 0.768 141 G HN 0.556 nan 8.290 nan 0.000 0.629 142 I N -0.316 120.148 120.570 -0.176 0.000 2.396 142 I HA 0.778 4.938 4.170 -0.017 0.000 0.292 142 I C 0.357 176.231 176.117 -0.405 0.000 0.999 142 I CA -1.123 59.994 61.300 -0.305 0.000 1.310 142 I CB 1.111 38.887 38.000 -0.373 0.000 1.404 142 I HN 0.541 nan 8.210 nan 0.000 0.496 143 R N 6.066 126.291 120.500 -0.459 0.000 2.294 143 R HA 0.490 4.819 4.340 -0.017 0.000 0.319 143 R C -1.588 174.345 176.300 -0.611 0.000 0.984 143 R CA -0.550 55.284 56.100 -0.443 0.000 0.861 143 R CB 1.412 31.550 30.300 -0.269 0.000 1.104 143 R HN 0.697 nan 8.270 nan 0.000 0.451 144 Y N 0.815 120.721 120.300 -0.656 0.000 2.536 144 Y HA 0.238 4.780 4.550 -0.013 0.000 0.347 144 Y C 0.031 175.697 175.900 -0.391 0.000 1.000 144 Y CA -0.979 56.719 58.100 -0.670 0.000 1.051 144 Y CB 2.770 40.571 38.460 -1.098 0.000 1.259 144 Y HN 0.492 nan 8.280 nan 0.000 0.468 145 Q N 1.225 121.100 119.800 0.125 0.000 2.359 145 Q HA 0.436 4.765 4.340 -0.017 0.000 0.274 145 Q C -2.121 173.991 176.000 0.186 0.000 1.074 145 Q CA -0.969 54.974 55.803 0.233 0.000 0.810 145 Q CB 1.883 30.689 28.738 0.113 0.000 1.342 145 Q HN 0.678 nan 8.270 nan 0.000 0.427 146 Y N 1.827 122.247 120.300 0.200 0.000 2.397 146 Y HA 0.136 4.676 4.550 -0.016 0.000 0.335 146 Y C 0.881 176.796 175.900 0.025 0.000 1.213 146 Y CA 0.524 58.675 58.100 0.085 0.000 1.391 146 Y CB 0.847 39.340 38.460 0.056 0.000 1.293 146 Y HN 0.744 nan 8.280 nan 0.000 0.557 147 N N 0.976 119.753 118.700 0.129 0.000 2.159 147 N HA 0.121 4.851 4.740 -0.017 0.000 0.217 147 N C -0.906 174.672 175.510 0.112 0.000 1.223 147 N CA 0.371 53.472 53.050 0.086 0.000 0.896 147 N CB 1.037 39.545 38.487 0.035 0.000 1.064 147 N HN 0.369 nan 8.380 nan 0.000 0.518 148 V N -2.679 117.341 119.914 0.177 0.000 3.182 148 V HA 0.534 4.644 4.120 -0.017 0.000 0.308 148 V C -0.193 176.036 176.094 0.224 0.000 1.240 148 V CA -1.161 61.257 62.300 0.198 0.000 1.063 148 V CB 1.688 33.640 31.823 0.216 0.000 1.076 148 V HN -0.162 nan 8.190 nan 0.000 0.446 149 L N 2.475 123.836 121.223 0.229 0.000 2.565 149 L HA 0.311 4.641 4.340 -0.017 0.000 0.275 149 L C -2.210 174.817 176.870 0.262 0.000 1.137 149 L CA -1.108 53.831 54.840 0.165 0.000 0.915 149 L CB 0.020 42.120 42.059 0.068 0.000 1.232 149 L HN 0.472 nan 8.230 nan 0.000 0.473 150 P HA -0.004 nan 4.420 nan 0.000 0.268 150 P C 0.290 177.702 177.300 0.186 0.000 1.204 150 P CA -0.280 62.706 63.100 -0.189 0.000 0.768 150 P CB 0.534 31.710 31.700 -0.873 0.000 0.842 151 Q N 2.091 122.091 119.800 0.334 0.000 2.376 151 Q HA -0.107 4.223 4.340 -0.017 0.000 0.211 151 Q C 1.516 177.652 176.000 0.227 0.000 0.986 151 Q CA 1.853 57.782 55.803 0.209 0.000 0.886 151 Q CB -0.526 28.238 28.738 0.045 0.000 0.927 151 Q HN 0.710 nan 8.270 nan 0.000 0.457 152 G N -1.994 106.993 108.800 0.311 0.000 3.342 152 G HA2 0.048 3.998 3.960 -0.017 0.000 0.252 152 G HA3 0.048 3.998 3.960 -0.017 0.000 0.252 152 G C -0.431 174.627 174.900 0.264 0.000 1.011 152 G CA -0.555 44.733 45.100 0.313 0.000 0.869 152 G HN 0.163 nan 8.290 nan 0.000 0.514 153 W N 2.096 123.264 121.300 -0.220 0.000 2.137 153 W HA 0.343 4.993 4.660 -0.016 0.000 0.344 153 W C 1.511 177.911 176.519 -0.199 0.000 1.286 153 W CA -0.629 56.486 57.345 -0.384 0.000 1.240 153 W CB 1.122 30.193 29.460 -0.648 0.000 1.141 153 W HN -0.028 nan 8.180 nan 0.000 0.579 154 K N 2.120 122.033 120.400 -0.812 0.000 2.063 154 K HA -0.130 4.180 4.320 -0.017 0.000 0.208 154 K C 1.754 177.691 176.600 -1.105 0.000 1.048 154 K CA 1.837 57.658 56.287 -0.776 0.000 0.928 154 K CB -0.671 31.497 32.500 -0.554 0.000 0.713 154 K HN 0.730 nan 8.250 nan 0.000 0.442 155 G N -0.488 107.017 108.800 -2.158 0.000 2.920 155 G HA2 -0.068 3.882 3.960 -0.017 0.000 0.208 155 G HA3 -0.068 3.882 3.960 -0.017 0.000 0.208 155 G C 1.199 175.364 174.900 -1.226 0.000 1.159 155 G CA 0.113 43.860 45.100 -2.255 0.000 0.784 155 G HN 0.216 nan 8.290 nan 0.000 0.535 156 S N 1.624 116.871 115.700 -0.755 0.000 2.356 156 S HA -0.073 4.387 4.470 -0.017 0.000 0.223 156 S C 0.091 174.223 174.600 -0.780 0.000 1.032 156 S CA 1.380 59.190 58.200 -0.651 0.000 1.005 156 S CB -0.602 62.194 63.200 -0.675 0.000 0.867 156 S HN 0.304 nan 8.310 nan 0.000 0.449 157 P HA -0.030 nan 4.420 nan 0.000 0.214 157 P C 1.457 178.640 177.300 -0.196 0.000 1.163 157 P CA 1.476 64.432 63.100 -0.239 0.000 0.883 157 P CB -0.114 31.496 31.700 -0.151 0.000 0.788 158 A N -0.893 121.738 122.820 -0.314 0.000 1.930 158 A HA -0.134 4.175 4.320 -0.017 0.000 0.217 158 A C 2.219 179.683 177.584 -0.200 0.000 1.175 158 A CA 1.324 53.220 52.037 -0.234 0.000 0.627 158 A CB -1.567 17.277 19.000 -0.260 0.000 0.815 158 A HN 0.097 nan 8.150 nan 0.000 0.443 159 I N -1.870 118.520 120.570 -0.301 0.000 2.315 159 I HA -0.179 3.980 4.170 -0.017 0.000 0.248 159 I C 2.342 178.383 176.117 -0.126 0.000 1.117 159 I CA 1.296 62.485 61.300 -0.186 0.000 1.404 159 I CB -0.354 37.536 38.000 -0.184 0.000 1.071 159 I HN 0.436 nan 8.210 nan 0.000 0.419 160 F N 1.824 121.625 119.950 -0.248 0.000 2.075 160 F HA -0.296 4.220 4.527 -0.017 0.000 0.297 160 F C 2.716 178.452 175.800 -0.107 0.000 1.113 160 F CA 2.069 59.970 58.000 -0.164 0.000 1.218 160 F CB -0.564 38.331 39.000 -0.175 0.000 0.984 160 F HN 0.026 nan 8.300 nan 0.000 0.472 161 Q N 0.140 119.850 119.800 -0.149 0.000 2.077 161 Q HA -0.276 4.054 4.340 -0.017 0.000 0.206 161 Q C 2.434 178.287 176.000 -0.247 0.000 0.989 161 Q CA 2.740 58.428 55.803 -0.191 0.000 0.853 161 Q CB -0.483 28.227 28.738 -0.046 0.000 0.907 161 Q HN 0.554 nan 8.270 nan 0.000 0.418 162 S N -0.686 114.912 115.700 -0.170 0.000 2.382 162 S HA -0.108 4.352 4.470 -0.017 0.000 0.228 162 S C 2.023 176.502 174.600 -0.201 0.000 1.027 162 S CA 1.515 59.634 58.200 -0.135 0.000 0.991 162 S CB -0.285 62.877 63.200 -0.064 0.000 0.823 162 S HN 0.405 nan 8.310 nan 0.000 0.469 163 S N 1.405 116.945 115.700 -0.266 0.000 2.383 163 S HA 0.023 4.482 4.470 -0.017 0.000 0.227 163 S C 1.787 176.151 174.600 -0.393 0.000 1.026 163 S CA 1.413 59.440 58.200 -0.289 0.000 0.981 163 S CB -0.478 62.569 63.200 -0.254 0.000 0.818 163 S HN 0.603 nan 8.310 nan 0.000 0.472 164 M N 2.195 121.471 119.600 -0.539 0.000 2.099 164 M HA -0.055 4.415 4.480 -0.017 0.000 0.262 164 M C 1.973 178.062 176.300 -0.351 0.000 1.067 164 M CA 1.699 56.686 55.300 -0.522 0.000 1.124 164 M CB -1.542 30.666 32.600 -0.653 0.000 1.353 164 M HN 0.131 nan 8.290 nan 0.000 0.410 165 T N 1.029 115.415 114.554 -0.280 0.000 2.635 165 T HA -0.184 4.155 4.350 -0.017 0.000 0.267 165 T C 1.804 176.385 174.700 -0.198 0.000 1.040 165 T CA 1.987 63.971 62.100 -0.194 0.000 1.156 165 T CB -0.220 68.566 68.868 -0.136 0.000 0.863 165 T HN 0.460 nan 8.240 nan 0.000 0.430 166 K N 0.404 120.670 120.400 -0.224 0.000 2.097 166 K HA 0.012 4.322 4.320 -0.017 0.000 0.206 166 K C 2.228 178.630 176.600 -0.331 0.000 1.049 166 K CA 1.118 57.264 56.287 -0.234 0.000 0.933 166 K CB -0.310 32.050 32.500 -0.235 0.000 0.717 166 K HN 0.365 nan 8.250 nan 0.000 0.442 167 I N 1.045 121.343 120.570 -0.453 0.000 2.394 167 I HA -0.248 3.911 4.170 -0.017 0.000 0.251 167 I C 2.004 177.873 176.117 -0.413 0.000 1.136 167 I CA 1.116 62.026 61.300 -0.650 0.000 1.425 167 I CB -0.110 37.480 38.000 -0.683 0.000 1.079 167 I HN 0.140 nan 8.210 nan 0.000 0.425 168 L N 0.055 121.113 121.223 -0.275 0.000 2.341 168 L HA -0.086 4.243 4.340 -0.017 0.000 0.214 168 L C 2.401 179.282 176.870 0.018 0.000 1.115 168 L CA 0.529 55.290 54.840 -0.133 0.000 0.820 168 L CB -0.476 41.487 42.059 -0.160 0.000 0.944 168 L HN 0.275 nan 8.230 nan 0.000 0.452 169 E N 1.280 121.459 120.200 -0.035 0.000 2.114 169 E HA -0.232 4.108 4.350 -0.017 0.000 0.199 169 E C -0.555 176.082 176.600 0.062 0.000 1.008 169 E CA 1.807 58.207 56.400 0.001 0.000 0.810 169 E CB -0.495 29.179 29.700 -0.042 0.000 0.739 169 E HN 0.343 nan 8.360 nan 0.000 0.456 170 P HA -0.140 nan 4.420 nan 0.000 0.218 170 P C 1.419 178.805 177.300 0.143 0.000 1.152 170 P CA 1.025 64.189 63.100 0.107 0.000 0.826 170 P CB -0.266 31.503 31.700 0.116 0.000 0.790 171 F N 1.908 121.915 119.950 0.095 0.000 2.113 171 F HA -0.071 4.446 4.527 -0.017 0.000 0.297 171 F C 2.189 178.015 175.800 0.043 0.000 1.103 171 F CA 1.454 59.505 58.000 0.086 0.000 1.248 171 F CB -0.250 38.886 39.000 0.226 0.000 0.999 171 F HN -0.280 nan 8.300 nan 0.000 0.475 172 K N 0.107 120.729 120.400 0.369 0.000 2.360 172 K HA -0.174 4.136 4.320 -0.017 0.000 0.201 172 K C 1.820 178.475 176.600 0.092 0.000 1.046 172 K CA 1.024 57.446 56.287 0.224 0.000 0.945 172 K CB -0.115 32.463 32.500 0.130 0.000 0.750 172 K HN 0.312 nan 8.250 nan 0.000 0.464 173 K N 0.485 120.918 120.400 0.055 0.000 2.314 173 K HA -0.008 4.302 4.320 -0.017 0.000 0.198 173 K C 1.403 177.986 176.600 -0.028 0.000 1.045 173 K CA 0.459 56.752 56.287 0.011 0.000 0.988 173 K CB 0.383 32.888 32.500 0.009 0.000 0.783 173 K HN 0.089 nan 8.250 nan 0.000 0.484 174 Q N 0.034 119.788 119.800 -0.077 0.000 2.280 174 Q HA 0.105 4.435 4.340 -0.017 0.000 0.201 174 Q C -0.539 175.359 176.000 -0.169 0.000 0.890 174 Q CA 0.174 55.894 55.803 -0.138 0.000 0.947 174 Q CB 0.665 29.277 28.738 -0.210 0.000 1.081 174 Q HN 0.119 nan 8.270 nan 0.000 0.502 175 N N -0.370 118.263 118.700 -0.112 0.000 2.639 175 N HA 0.120 4.850 4.740 -0.017 0.000 0.265 175 N C -2.483 173.037 175.510 0.016 0.000 1.689 175 N CA -0.751 52.259 53.050 -0.067 0.000 0.813 175 N CB 1.157 39.583 38.487 -0.103 0.000 1.353 175 N HN -0.036 nan 8.380 nan 0.000 0.510 176 P HA -0.178 nan 4.420 nan 0.000 0.221 176 P C 0.738 178.061 177.300 0.038 0.000 1.141 176 P CA 1.415 64.530 63.100 0.024 0.000 0.794 176 P CB 0.258 31.965 31.700 0.011 0.000 0.764 177 D N -1.304 119.120 120.400 0.041 0.000 2.120 177 D HA -0.085 4.545 4.640 -0.017 0.000 0.202 177 D C 0.742 177.092 176.300 0.084 0.000 0.972 177 D CA 0.512 54.545 54.000 0.055 0.000 0.837 177 D CB -0.802 40.027 40.800 0.049 0.000 0.989 177 D HN -0.019 nan 8.370 nan 0.000 0.469 178 I N 2.205 122.842 120.570 0.110 0.000 2.618 178 I HA 0.095 4.254 4.170 -0.017 0.000 0.284 178 I C 0.362 176.559 176.117 0.134 0.000 1.146 178 I CA -0.639 60.752 61.300 0.151 0.000 1.425 178 I CB 0.701 38.834 38.000 0.221 0.000 1.383 178 I HN 0.051 nan 8.210 nan 0.000 0.562 179 V N 5.908 125.904 119.914 0.136 0.000 2.435 179 V HA 0.644 4.754 4.120 -0.017 0.000 0.290 179 V C -0.209 175.974 176.094 0.149 0.000 1.030 179 V CA -0.674 61.700 62.300 0.123 0.000 0.881 179 V CB 1.806 33.725 31.823 0.160 0.000 0.983 179 V HN 0.475 nan 8.190 nan 0.000 0.445 180 I N 4.629 125.248 120.570 0.082 0.000 2.466 180 I HA 0.469 4.628 4.170 -0.017 0.000 0.289 180 I C -1.321 174.819 176.117 0.037 0.000 1.026 180 I CA -0.501 60.849 61.300 0.083 0.000 1.078 180 I CB 2.014 40.009 38.000 -0.007 0.000 1.249 180 I HN 0.568 nan 8.210 nan 0.000 0.429 181 Y N 4.494 124.775 120.300 -0.033 0.000 2.330 181 Y HA 0.395 4.935 4.550 -0.017 0.000 0.336 181 Y C 0.086 175.928 175.900 -0.096 0.000 1.036 181 Y CA -0.555 57.534 58.100 -0.018 0.000 1.125 181 Y CB 1.464 39.957 38.460 0.054 0.000 1.194 181 Y HN 0.442 nan 8.280 nan 0.000 0.469 182 Q N 3.146 122.986 119.800 0.066 0.000 2.271 182 Q HA 0.413 4.743 4.340 -0.017 0.000 0.258 182 Q C -1.668 174.431 176.000 0.166 0.000 0.936 182 Q CA -0.912 54.900 55.803 0.015 0.000 0.909 182 Q CB 2.397 31.125 28.738 -0.016 0.000 1.253 182 Q HN 0.678 nan 8.270 nan 0.000 0.440 183 Y N 4.148 124.432 120.300 -0.026 0.000 2.287 183 Y HA 0.198 4.738 4.550 -0.017 0.000 0.325 183 Y C -0.078 175.877 175.900 0.092 0.000 1.139 183 Y CA -0.363 57.805 58.100 0.114 0.000 1.167 183 Y CB 0.497 39.148 38.460 0.318 0.000 1.158 183 Y HN 0.868 nan 8.280 nan 0.000 0.434 184 M N 1.428 120.821 119.600 -0.344 0.000 7.319 184 M HA -0.372 4.098 4.480 -0.017 0.000 0.305 184 M C 0.401 176.677 176.300 -0.041 0.000 0.480 184 M CA 2.461 57.603 55.300 -0.264 0.000 1.311 184 M CB -1.155 31.174 32.600 -0.451 0.000 0.421 184 M HN 0.762 nan 8.290 nan 0.000 0.673 185 D N 0.139 120.470 120.400 -0.114 0.000 2.368 185 D HA 0.275 4.905 4.640 -0.017 0.000 0.218 185 D C -0.326 175.955 176.300 -0.031 0.000 1.112 185 D CA 0.063 54.006 54.000 -0.095 0.000 0.834 185 D CB 0.011 40.647 40.800 -0.273 0.000 0.953 185 D HN 0.240 nan 8.370 nan 0.000 0.505 186 D N 0.376 120.749 120.400 -0.046 0.000 2.268 186 D HA 0.478 5.108 4.640 -0.017 0.000 0.249 186 D C -0.328 175.751 176.300 -0.369 0.000 1.008 186 D CA -0.418 53.484 54.000 -0.163 0.000 0.939 186 D CB 1.927 42.658 40.800 -0.114 0.000 1.170 186 D HN 0.032 nan 8.370 nan 0.000 0.468 187 L N 1.881 122.818 121.223 -0.478 0.000 2.439 187 L HA 0.317 4.647 4.340 -0.017 0.000 0.270 187 L C -1.228 175.376 176.870 -0.444 0.000 0.972 187 L CA -0.788 53.795 54.840 -0.428 0.000 0.836 187 L CB 1.496 43.437 42.059 -0.197 0.000 1.255 187 L HN 0.309 nan 8.230 nan 0.000 0.404 188 Y N 3.049 123.317 120.300 -0.054 0.000 2.417 188 Y HA 0.448 4.988 4.550 -0.017 0.000 0.336 188 Y C 0.063 175.937 175.900 -0.043 0.000 0.961 188 Y CA -1.204 56.807 58.100 -0.149 0.000 1.215 188 Y CB 1.410 39.673 38.460 -0.329 0.000 1.120 188 Y HN 0.167 nan 8.280 nan 0.000 0.499 189 V N 3.096 123.072 119.914 0.103 0.000 2.370 189 V HA 0.779 4.889 4.120 -0.017 0.000 0.279 189 V C 0.400 176.610 176.094 0.194 0.000 1.029 189 V CA -0.606 61.769 62.300 0.125 0.000 0.870 189 V CB 1.036 32.905 31.823 0.077 0.000 0.984 189 V HN 0.906 nan 8.190 nan 0.000 0.451 190 G N 2.793 111.709 108.800 0.193 0.000 2.574 190 G HA2 0.833 4.783 3.960 -0.017 0.000 0.299 190 G HA3 0.833 4.783 3.960 -0.017 0.000 0.299 190 G C -0.761 174.262 174.900 0.206 0.000 1.298 190 G CA -0.209 44.996 45.100 0.175 0.000 0.952 190 G HN 1.130 nan 8.290 nan 0.000 0.477 191 S N -0.593 115.202 115.700 0.157 0.000 2.578 191 S HA 0.452 4.912 4.470 -0.017 0.000 0.272 191 S C -1.864 172.781 174.600 0.074 0.000 1.145 191 S CA -0.867 57.429 58.200 0.161 0.000 0.835 191 S CB 2.182 65.562 63.200 0.301 0.000 1.104 191 S HN 0.300 nan 8.310 nan 0.000 0.458 192 D N 1.614 122.058 120.400 0.072 0.000 2.970 192 D HA 0.495 5.124 4.640 -0.017 0.000 0.282 192 D C -0.409 175.923 176.300 0.054 0.000 1.291 192 D CA 0.078 54.103 54.000 0.041 0.000 0.967 192 D CB -0.019 40.801 40.800 0.033 0.000 1.017 192 D HN 0.454 nan 8.370 nan 0.000 0.512 193 L N -0.038 121.230 121.223 0.075 0.000 2.301 193 L HA 0.414 4.744 4.340 -0.017 0.000 0.264 193 L C 0.292 177.207 176.870 0.074 0.000 1.016 193 L CA -1.282 53.612 54.840 0.090 0.000 0.821 193 L CB 1.557 43.703 42.059 0.145 0.000 1.346 193 L HN -0.205 nan 8.230 nan 0.000 0.429 194 E N 0.703 120.946 120.200 0.072 0.000 2.366 194 E HA 0.059 4.398 4.350 -0.017 0.000 0.266 194 E C 0.768 177.421 176.600 0.089 0.000 1.015 194 E CA -0.195 56.240 56.400 0.060 0.000 0.906 194 E CB 0.488 30.218 29.700 0.050 0.000 0.979 194 E HN 0.308 nan 8.360 nan 0.000 0.443 195 I N 2.206 122.814 120.570 0.063 0.000 2.285 195 I HA -0.325 3.834 4.170 -0.017 0.000 0.254 195 I C 1.989 178.183 176.117 0.128 0.000 1.093 195 I CA 2.168 63.518 61.300 0.082 0.000 1.368 195 I CB -0.691 37.334 38.000 0.042 0.000 1.054 195 I HN 0.732 nan 8.210 nan 0.000 0.435 196 G N -1.218 107.642 108.800 0.100 0.000 2.426 196 G HA2 -0.182 3.768 3.960 -0.017 0.000 0.214 196 G HA3 -0.182 3.768 3.960 -0.017 0.000 0.214 196 G C 1.559 176.521 174.900 0.103 0.000 1.156 196 G CA 0.475 45.632 45.100 0.094 0.000 0.802 196 G HN 0.463 nan 8.290 nan 0.000 0.534 197 Q N -0.569 119.294 119.800 0.104 0.000 2.123 197 Q HA -0.106 4.223 4.340 -0.017 0.000 0.199 197 Q C 2.131 178.205 176.000 0.124 0.000 0.966 197 Q CA 1.318 57.178 55.803 0.095 0.000 0.845 197 Q CB -0.169 28.618 28.738 0.081 0.000 0.907 197 Q HN 0.686 nan 8.270 nan 0.000 0.439 198 H N 0.469 119.581 119.070 0.069 0.000 2.256 198 H HA -0.045 4.500 4.556 -0.017 0.000 0.299 198 H C 1.894 177.287 175.328 0.109 0.000 1.071 198 H CA 2.190 58.290 56.048 0.086 0.000 1.280 198 H CB 0.085 29.892 29.762 0.076 0.000 1.370 198 H HN 0.112 nan 8.280 nan 0.000 0.490 199 R N -0.461 120.157 120.500 0.197 0.000 2.185 199 R HA -0.149 4.180 4.340 -0.017 0.000 0.247 199 R C 2.152 178.497 176.300 0.074 0.000 1.159 199 R CA 1.609 57.804 56.100 0.158 0.000 0.988 199 R CB -0.398 30.021 30.300 0.199 0.000 0.871 199 R HN 0.434 nan 8.270 nan 0.000 0.458 200 T N 0.946 115.537 114.554 0.063 0.000 2.612 200 T HA -0.089 4.251 4.350 -0.017 0.000 0.259 200 T C 1.710 176.436 174.700 0.044 0.000 1.065 200 T CA 0.834 62.965 62.100 0.052 0.000 1.167 200 T CB -0.025 68.874 68.868 0.051 0.000 0.863 200 T HN 0.093 nan 8.240 nan 0.000 0.407 201 K N 0.969 121.387 120.400 0.030 0.000 2.089 201 K HA -0.084 4.226 4.320 -0.017 0.000 0.210 201 K C 2.204 178.866 176.600 0.103 0.000 1.048 201 K CA 0.987 57.322 56.287 0.079 0.000 0.926 201 K CB -0.803 31.738 32.500 0.068 0.000 0.714 201 K HN 0.275 nan 8.250 nan 0.000 0.448 202 I N 1.358 121.908 120.570 -0.034 0.000 2.118 202 I HA -0.260 3.900 4.170 -0.017 0.000 0.241 202 I C 2.329 178.467 176.117 0.036 0.000 1.070 202 I CA 1.447 62.733 61.300 -0.023 0.000 1.327 202 I CB -1.173 36.811 38.000 -0.027 0.000 1.034 202 I HN 0.195 nan 8.210 nan 0.000 0.405 203 E N 0.872 121.100 120.200 0.046 0.000 2.118 203 E HA -0.210 4.130 4.350 -0.017 0.000 0.195 203 E C 2.085 178.741 176.600 0.093 0.000 0.992 203 E CA 1.300 57.730 56.400 0.051 0.000 0.804 203 E CB -0.049 29.678 29.700 0.045 0.000 0.741 203 E HN 0.473 nan 8.360 nan 0.000 0.458 204 E N -0.428 119.855 120.200 0.138 0.000 2.007 204 E HA -0.202 4.138 4.350 -0.017 0.000 0.194 204 E C 2.064 178.854 176.600 0.316 0.000 0.999 204 E CA 1.188 57.719 56.400 0.218 0.000 0.811 204 E CB -0.317 29.529 29.700 0.244 0.000 0.762 204 E HN 0.195 nan 8.360 nan 0.000 0.450 205 L N 1.688 123.112 121.223 0.335 0.000 2.034 205 L HA -0.284 4.045 4.340 -0.017 0.000 0.217 205 L C 2.172 179.054 176.870 0.019 0.000 1.077 205 L CA 1.859 56.687 54.840 -0.020 0.000 0.769 205 L CB -0.289 41.539 42.059 -0.385 0.000 0.890 205 L HN 0.026 nan 8.230 nan 0.000 0.435 206 R N -1.138 119.383 120.500 0.035 0.000 2.080 206 R HA -0.182 4.148 4.340 -0.017 0.000 0.236 206 R C 2.235 178.584 176.300 0.082 0.000 1.137 206 R CA 1.701 57.820 56.100 0.032 0.000 0.943 206 R CB -0.531 29.781 30.300 0.021 0.000 0.846 206 R HN 0.504 nan 8.270 nan 0.000 0.431 207 Q N -0.362 119.510 119.800 0.120 0.000 2.124 207 Q HA -0.181 4.148 4.340 -0.017 0.000 0.202 207 Q C 1.950 178.077 176.000 0.213 0.000 0.977 207 Q CA 1.446 57.329 55.803 0.133 0.000 0.850 207 Q CB -0.484 28.324 28.738 0.117 0.000 0.901 207 Q HN 0.639 nan 8.270 nan 0.000 0.429 208 H N 0.218 119.378 119.070 0.150 0.000 2.293 208 H HA -0.061 4.484 4.556 -0.017 0.000 0.300 208 H C 2.116 177.602 175.328 0.263 0.000 1.082 208 H CA 1.117 57.303 56.048 0.230 0.000 1.308 208 H CB 0.111 30.046 29.762 0.288 0.000 1.375 208 H HN 0.130 nan 8.280 nan 0.000 0.495 209 L N 0.259 121.532 121.223 0.084 0.000 2.042 209 L HA -0.213 4.116 4.340 -0.017 0.000 0.210 209 L C 2.774 179.723 176.870 0.132 0.000 1.076 209 L CA 0.736 55.579 54.840 0.006 0.000 0.749 209 L CB -0.413 41.616 42.059 -0.051 0.000 0.893 209 L HN 0.310 nan 8.230 nan 0.000 0.432 210 L N 0.120 121.413 121.223 0.117 0.000 2.079 210 L HA -0.183 4.147 4.340 -0.017 0.000 0.210 210 L C 2.557 179.483 176.870 0.092 0.000 1.081 210 L CA 1.704 56.603 54.840 0.097 0.000 0.752 210 L CB -0.521 41.581 42.059 0.073 0.000 0.896 210 L HN 0.108 nan 8.230 nan 0.000 0.433 211 R N -2.165 118.395 120.500 0.101 0.000 2.339 211 R HA -0.130 4.200 4.340 -0.017 0.000 0.199 211 R C 0.565 176.756 176.300 -0.182 0.000 1.018 211 R CA 0.907 56.986 56.100 -0.035 0.000 1.036 211 R CB -0.287 29.985 30.300 -0.046 0.000 0.899 211 R HN 0.443 nan 8.270 nan 0.000 0.473 212 W N -0.444 120.885 121.300 0.047 0.000 2.599 212 W HA 0.270 4.919 4.660 -0.017 0.000 0.396 212 W C 0.829 177.364 176.519 0.025 0.000 0.944 212 W CA 0.135 57.496 57.345 0.026 0.000 2.042 212 W CB 1.006 30.454 29.460 -0.020 0.000 1.184 212 W HN 0.160 nan 8.180 nan 0.000 0.604 213 G N 1.085 109.992 108.800 0.179 0.000 2.148 213 G HA2 -0.308 3.642 3.960 -0.017 0.000 0.254 213 G HA3 -0.308 3.642 3.960 -0.017 0.000 0.254 213 G C -0.183 174.807 174.900 0.151 0.000 0.981 213 G CA -0.105 45.083 45.100 0.146 0.000 0.670 213 G HN 0.192 nan 8.290 nan 0.000 0.528 214 L N 2.013 123.323 121.223 0.145 0.000 2.280 214 L HA 0.503 4.833 4.340 -0.017 0.000 0.287 214 L C 0.828 177.747 176.870 0.082 0.000 1.023 214 L CA -0.305 54.607 54.840 0.120 0.000 0.819 214 L CB 1.604 43.722 42.059 0.098 0.000 1.212 214 L HN 0.311 nan 8.230 nan 0.000 0.420 215 T N -0.710 113.887 114.554 0.073 0.000 2.771 215 T HA 0.544 4.884 4.350 -0.017 0.000 0.291 215 T C 0.205 174.926 174.700 0.035 0.000 0.954 215 T CA -0.621 61.509 62.100 0.050 0.000 1.045 215 T CB 1.219 70.115 68.868 0.047 0.000 0.917 215 T HN 0.530 nan 8.240 nan 0.000 0.484 216 T N 2.283 116.851 114.554 0.023 0.000 2.949 216 T HA 0.610 4.950 4.350 -0.017 0.000 0.287 216 T C -2.811 171.894 174.700 0.008 0.000 1.034 216 T CA -1.973 60.134 62.100 0.012 0.000 1.018 216 T CB 0.643 69.511 68.868 -0.001 0.000 1.135 216 T HN 0.368 nan 8.240 nan 0.000 0.532 217 P HA 0.111 nan 4.420 nan 0.000 0.264 217 P C 0.484 177.768 177.300 -0.027 0.000 1.193 217 P CA 0.025 63.129 63.100 0.007 0.000 0.763 217 P CB 0.408 32.129 31.700 0.034 0.000 0.810 218 D N 3.148 123.539 120.400 -0.016 0.000 2.104 218 D HA -0.187 4.443 4.640 -0.017 0.000 0.194 218 D C 0.853 177.119 176.300 -0.056 0.000 0.994 218 D CA 1.515 55.500 54.000 -0.025 0.000 0.830 218 D CB 0.050 40.850 40.800 -0.001 0.000 0.959 218 D HN 0.304 nan 8.370 nan 0.000 0.452 219 K N 0.091 120.461 120.400 -0.051 0.000 2.569 219 K HA -0.012 4.298 4.320 -0.017 0.000 0.193 219 K C 0.334 176.761 176.600 -0.289 0.000 1.026 219 K CA 0.091 56.337 56.287 -0.068 0.000 1.093 219 K CB 0.311 32.828 32.500 0.028 0.000 0.849 219 K HN 0.006 nan 8.250 nan 0.000 0.509 220 K N -0.695 119.507 120.400 -0.330 0.000 3.583 220 K HA -0.163 4.147 4.320 -0.017 0.000 0.287 220 K C -0.891 175.355 176.600 -0.591 0.000 1.269 220 K CA 1.480 57.458 56.287 -0.516 0.000 0.998 220 K CB -2.145 29.958 32.500 -0.663 0.000 1.284 220 K HN 0.696 nan 8.250 nan 0.000 0.472 221 H N -2.049 117.067 119.070 0.077 0.000 3.141 221 H HA 0.406 4.952 4.556 -0.017 0.000 0.309 221 H C -0.702 174.686 175.328 0.100 0.000 1.083 221 H CA -0.872 55.234 56.048 0.096 0.000 1.466 221 H CB 0.287 30.126 29.762 0.128 0.000 2.095 221 H HN -0.156 nan 8.280 nan 0.000 0.467 222 Q N 1.923 121.855 119.800 0.219 0.000 2.404 222 Q HA 0.161 4.491 4.340 -0.017 0.000 0.368 222 Q C -0.486 175.643 176.000 0.215 0.000 0.939 222 Q CA -0.512 55.396 55.803 0.175 0.000 1.099 222 Q CB 0.677 29.485 28.738 0.117 0.000 1.284 222 Q HN 0.644 nan 8.270 nan 0.000 0.421 223 K N -0.030 120.539 120.400 0.281 0.000 2.316 223 K HA 0.430 4.739 4.320 -0.017 0.000 0.267 223 K C -0.941 175.829 176.600 0.284 0.000 1.025 223 K CA -0.237 56.271 56.287 0.368 0.000 0.896 223 K CB 0.813 33.543 32.500 0.384 0.000 1.124 223 K HN -0.156 nan 8.250 nan 0.000 0.451 224 E N 4.308 124.645 120.200 0.230 0.000 2.325 224 E HA 0.312 4.651 4.350 -0.017 0.000 0.248 224 E C -2.636 173.843 176.600 -0.201 0.000 0.912 224 E CA -2.104 54.311 56.400 0.026 0.000 0.782 224 E CB 1.358 31.084 29.700 0.044 0.000 1.264 224 E HN 0.464 nan 8.360 nan 0.000 0.417 225 P HA 0.079 nan 4.420 nan 0.000 0.268 225 P C -2.219 174.887 177.300 -0.323 0.000 1.204 225 P CA -0.925 61.679 63.100 -0.827 0.000 0.768 225 P CB -0.066 31.230 31.700 -0.674 0.000 0.842 226 P HA 0.236 nan 4.420 nan 0.000 0.278 226 P C -1.058 176.043 177.300 -0.332 0.000 1.238 226 P CA -0.166 62.713 63.100 -0.368 0.000 0.794 226 P CB 0.486 31.991 31.700 -0.324 0.000 0.955 227 F N 1.023 120.941 119.950 -0.052 0.000 2.404 227 F HA 0.307 4.824 4.527 -0.017 0.000 0.345 227 F C 0.846 176.669 175.800 0.039 0.000 1.110 227 F CA -0.654 57.339 58.000 -0.012 0.000 1.130 227 F CB 0.495 39.449 39.000 -0.076 0.000 1.129 227 F HN 0.017 nan 8.300 nan 0.000 0.500 228 L N 3.198 124.577 121.223 0.259 0.000 2.260 228 L HA 0.230 4.559 4.340 -0.017 0.000 0.289 228 L C -1.167 175.880 176.870 0.295 0.000 1.057 228 L CA -0.321 54.650 54.840 0.218 0.000 0.811 228 L CB 0.708 42.853 42.059 0.143 0.000 1.184 228 L HN 0.736 nan 8.230 nan 0.000 0.429 229 W N 7.087 128.444 121.300 0.095 0.000 2.687 229 W HA 0.385 5.035 4.660 -0.017 0.000 0.328 229 W C -0.202 176.380 176.519 0.105 0.000 1.012 229 W CA -0.760 56.614 57.345 0.049 0.000 1.262 229 W CB 1.095 30.506 29.460 -0.083 0.000 1.331 229 W HN 0.395 nan 8.180 nan 0.000 0.433 230 M N 5.457 124.740 119.600 -0.529 0.000 2.302 230 M HA -0.200 4.270 4.480 -0.017 0.000 0.200 230 M C 1.059 177.107 176.300 -0.420 0.000 0.366 230 M CA 1.843 56.753 55.300 -0.650 0.000 0.440 230 M CB -2.258 29.559 32.600 -1.306 0.000 1.475 230 M HN 1.432 nan 8.290 nan 0.000 0.905 231 G N -1.351 107.296 108.800 -0.254 0.000 2.141 231 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.242 231 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.242 231 G C -0.323 174.590 174.900 0.022 0.000 0.982 231 G CA 0.392 45.354 45.100 -0.230 0.000 0.662 231 G HN 0.606 nan 8.290 nan 0.000 0.527 232 Y N -0.561 119.892 120.300 0.255 0.000 2.602 232 Y HA 0.684 5.223 4.550 -0.017 0.000 0.342 232 Y C 0.249 176.295 175.900 0.244 0.000 1.029 232 Y CA -0.939 57.349 58.100 0.314 0.000 1.080 232 Y CB 1.916 40.575 38.460 0.333 0.000 1.284 232 Y HN 0.117 nan 8.280 nan 0.000 0.485 233 E N 2.670 123.126 120.200 0.427 0.000 2.255 233 E HA 0.462 4.802 4.350 -0.017 0.000 0.256 233 E C -2.114 174.540 176.600 0.090 0.000 0.887 233 E CA -0.450 56.053 56.400 0.172 0.000 0.782 233 E CB 0.862 30.621 29.700 0.099 0.000 1.214 233 E HN 0.576 nan 8.360 nan 0.000 0.417 234 L N 4.959 126.201 121.223 0.031 0.000 2.296 234 L HA 0.525 4.854 4.340 -0.017 0.000 0.286 234 L C 0.089 176.883 176.870 -0.127 0.000 1.023 234 L CA -0.959 53.931 54.840 0.084 0.000 0.812 234 L CB 1.083 43.257 42.059 0.190 0.000 1.223 234 L HN 0.506 nan 8.230 nan 0.000 0.421 235 H N 2.374 121.551 119.070 0.178 0.000 2.615 235 H HA 0.304 4.850 4.556 -0.017 0.000 0.346 235 H C -1.739 173.681 175.328 0.153 0.000 1.200 235 H CA -2.068 54.013 56.048 0.055 0.000 1.264 235 H CB 1.547 31.300 29.762 -0.015 0.000 1.699 235 H HN 0.302 nan 8.280 nan 0.000 0.567 236 P HA -0.102 nan 4.420 nan 0.000 0.225 236 P C 0.290 177.763 177.300 0.289 0.000 1.148 236 P CA 1.625 64.832 63.100 0.177 0.000 0.779 236 P CB 0.238 31.976 31.700 0.063 0.000 0.780 237 D N -3.146 117.408 120.400 0.258 0.000 2.516 237 D HA 0.059 4.689 4.640 -0.017 0.000 0.241 237 D C 0.375 176.634 176.300 -0.068 0.000 1.246 237 D CA -0.439 53.675 54.000 0.189 0.000 0.808 237 D CB 0.275 41.110 40.800 0.059 0.000 1.147 237 D HN 0.088 nan 8.370 nan 0.000 0.527 238 K N -0.324 119.998 120.400 -0.129 0.000 2.578 238 K HA 0.478 4.787 4.320 -0.017 0.000 0.287 238 K C -1.632 174.906 176.600 -0.104 0.000 1.010 238 K CA -1.063 55.026 56.287 -0.331 0.000 0.889 238 K CB 1.603 33.843 32.500 -0.433 0.000 1.514 238 K HN 0.191 nan 8.250 nan 0.000 0.424 239 W N 0.114 121.309 121.300 -0.175 0.000 3.118 239 W HA 0.672 5.322 4.660 -0.017 0.000 0.328 239 W C -1.759 174.799 176.519 0.064 0.000 1.239 239 W CA -0.866 56.466 57.345 -0.022 0.000 1.176 239 W CB 1.274 30.714 29.460 -0.033 0.000 1.433 239 W HN 0.663 nan 8.180 nan 0.000 0.562 240 T N 0.644 115.352 114.554 0.257 0.000 2.731 240 T HA 0.422 4.762 4.350 -0.017 0.000 0.300 240 T C -0.900 174.061 174.700 0.435 0.000 1.283 240 T CA -0.556 61.577 62.100 0.055 0.000 1.005 240 T CB 1.975 70.844 68.868 0.001 0.000 1.420 240 T HN 0.337 nan 8.240 nan 0.000 0.503 241 V N 1.508 121.594 119.914 0.286 0.000 2.644 241 V HA 0.332 4.442 4.120 -0.017 0.000 0.295 241 V C 0.433 176.709 176.094 0.303 0.000 1.053 241 V CA -0.606 61.905 62.300 0.352 0.000 0.987 241 V CB 1.476 33.453 31.823 0.257 0.000 1.006 241 V HN 0.739 nan 8.190 nan 0.000 0.472 242 Q N 3.179 123.155 119.800 0.295 0.000 2.421 242 Q HA 0.157 4.487 4.340 -0.017 0.000 0.255 242 Q C -2.217 173.894 176.000 0.185 0.000 1.013 242 Q CA -1.350 54.571 55.803 0.197 0.000 0.895 242 Q CB 0.190 29.005 28.738 0.128 0.000 1.271 242 Q HN 0.482 nan 8.270 nan 0.000 0.460 243 P HA -0.163 nan 4.420 nan 0.000 0.248 243 P C -0.918 176.443 177.300 0.102 0.000 1.127 243 P CA 0.887 64.057 63.100 0.117 0.000 0.801 243 P CB 0.054 31.802 31.700 0.080 0.000 0.732 244 I N 4.105 124.746 120.570 0.119 0.000 2.441 244 I HA 0.136 4.296 4.170 -0.017 0.000 0.287 244 I C 0.357 176.498 176.117 0.039 0.000 1.049 244 I CA -0.225 61.128 61.300 0.089 0.000 1.381 244 I CB 1.146 39.201 38.000 0.092 0.000 1.409 244 I HN 0.010 nan 8.210 nan 0.000 0.523 245 V N 7.773 127.705 119.914 0.029 0.000 2.462 245 V HA 0.315 4.424 4.120 -0.017 0.000 0.288 245 V C -0.063 176.046 176.094 0.025 0.000 1.020 245 V CA -0.519 61.792 62.300 0.019 0.000 0.857 245 V CB 1.781 33.611 31.823 0.013 0.000 1.013 245 V HN 0.466 nan 8.190 nan 0.000 0.431 246 L N 7.727 128.968 121.223 0.030 0.000 2.281 246 L HA 0.478 4.808 4.340 -0.017 0.000 0.285 246 L C -1.703 175.215 176.870 0.080 0.000 1.074 246 L CA -1.336 53.543 54.840 0.064 0.000 0.817 246 L CB 1.291 43.384 42.059 0.057 0.000 1.168 246 L HN 0.443 nan 8.230 nan 0.000 0.434 247 P HA 0.191 nan 4.420 nan 0.000 0.279 247 P C -1.066 176.278 177.300 0.074 0.000 1.239 247 P CA -0.517 62.603 63.100 0.034 0.000 0.789 247 P CB 1.087 32.764 31.700 -0.038 0.000 0.933 248 E N 2.473 122.666 120.200 -0.012 0.000 2.134 248 E HA 0.315 4.655 4.350 -0.017 0.000 0.278 248 E C -0.138 176.338 176.600 -0.207 0.000 0.959 248 E CA -0.646 55.766 56.400 0.019 0.000 0.783 248 E CB 1.392 31.114 29.700 0.036 0.000 1.095 248 E HN 0.320 nan 8.360 nan 0.000 0.399 249 K N 2.120 122.274 120.400 -0.408 0.000 2.444 249 K HA 0.281 4.591 4.320 -0.017 0.000 0.252 249 K C -0.352 176.029 176.600 -0.363 0.000 0.993 249 K CA -0.823 55.051 56.287 -0.689 0.000 0.847 249 K CB 1.742 33.320 32.500 -1.537 0.000 1.340 249 K HN 0.280 nan 8.250 nan 0.000 0.446 250 D N 0.259 120.492 120.400 -0.278 0.000 2.338 250 D HA -0.031 4.599 4.640 -0.017 0.000 0.224 250 D C 0.101 176.388 176.300 -0.022 0.000 0.967 250 D CA 0.945 54.903 54.000 -0.071 0.000 0.896 250 D CB 0.434 41.200 40.800 -0.056 0.000 1.028 250 D HN 0.478 nan 8.370 nan 0.000 0.493 251 S N -0.027 115.592 115.700 -0.136 0.000 2.596 251 S HA 0.507 4.966 4.470 -0.017 0.000 0.318 251 S C -1.019 173.527 174.600 -0.091 0.000 1.097 251 S CA -0.938 57.248 58.200 -0.023 0.000 1.080 251 S CB 0.641 63.824 63.200 -0.028 0.000 0.991 251 S HN 0.035 nan 8.310 nan 0.000 0.471 252 W N 1.700 122.994 121.300 -0.011 0.000 2.469 252 W HA 0.612 5.261 4.660 -0.017 0.000 0.320 252 W C 0.849 177.362 176.519 -0.011 0.000 1.086 252 W CA -0.427 56.912 57.345 -0.011 0.000 1.211 252 W CB 1.613 31.067 29.460 -0.012 0.000 1.298 252 W HN 0.650 nan 8.180 nan 0.000 0.525 253 T N 0.846 115.516 114.554 0.194 0.000 2.912 253 T HA 0.217 4.557 4.350 -0.017 0.000 0.280 253 T C 1.011 175.784 174.700 0.122 0.000 0.989 253 T CA -0.625 61.544 62.100 0.115 0.000 0.995 253 T CB 1.226 70.127 68.868 0.055 0.000 1.077 253 T HN 0.231 nan 8.240 nan 0.000 0.531 254 V N 3.262 123.221 119.914 0.074 0.000 2.324 254 V HA -0.167 3.943 4.120 -0.017 0.000 0.250 254 V C 2.771 178.901 176.094 0.060 0.000 1.060 254 V CA 2.244 64.578 62.300 0.056 0.000 1.042 254 V CB -0.843 31.000 31.823 0.034 0.000 0.650 254 V HN 0.863 nan 8.190 nan 0.000 0.450 255 N N 0.165 118.897 118.700 0.054 0.000 2.084 255 N HA -0.202 4.528 4.740 -0.017 0.000 0.190 255 N C 1.594 177.149 175.510 0.075 0.000 1.030 255 N CA 1.848 54.925 53.050 0.045 0.000 0.849 255 N CB -0.224 38.278 38.487 0.025 0.000 1.012 255 N HN 0.462 nan 8.380 nan 0.000 0.423 256 D N 0.931 121.399 120.400 0.113 0.000 2.133 256 D HA -0.138 4.492 4.640 -0.017 0.000 0.195 256 D C 2.115 178.579 176.300 0.273 0.000 0.997 256 D CA 0.828 54.944 54.000 0.194 0.000 0.840 256 D CB -0.162 40.793 40.800 0.257 0.000 0.947 256 D HN 0.433 nan 8.370 nan 0.000 0.452 257 I N 0.863 121.562 120.570 0.214 0.000 2.133 257 I HA -0.269 3.890 4.170 -0.017 0.000 0.238 257 I C 2.576 178.726 176.117 0.056 0.000 1.074 257 I CA 0.945 62.306 61.300 0.102 0.000 1.342 257 I CB -0.379 37.638 38.000 0.028 0.000 1.053 257 I HN -0.061 nan 8.210 nan 0.000 0.404 258 Q N 1.005 120.832 119.800 0.046 0.000 2.133 258 Q HA -0.277 4.052 4.340 -0.017 0.000 0.208 258 Q C 2.176 178.195 176.000 0.031 0.000 0.991 258 Q CA 1.744 57.564 55.803 0.028 0.000 0.867 258 Q CB -0.251 28.500 28.738 0.022 0.000 0.911 258 Q HN 0.508 nan 8.270 nan 0.000 0.417 259 K N 0.171 120.599 120.400 0.045 0.000 2.097 259 K HA -0.137 4.173 4.320 -0.017 0.000 0.205 259 K C 2.074 178.705 176.600 0.051 0.000 1.050 259 K CA 0.810 57.120 56.287 0.037 0.000 0.938 259 K CB -0.156 32.368 32.500 0.040 0.000 0.718 259 K HN 0.095 nan 8.250 nan 0.000 0.442 260 L N 1.145 122.416 121.223 0.079 0.000 1.994 260 L HA -0.162 4.168 4.340 -0.017 0.000 0.208 260 L C 2.063 178.953 176.870 0.033 0.000 1.071 260 L CA 1.507 56.390 54.840 0.072 0.000 0.745 260 L CB -0.414 41.681 42.059 0.060 0.000 0.892 260 L HN -0.129 nan 8.230 nan 0.000 0.431 261 V N 0.444 120.367 119.914 0.016 0.000 2.287 261 V HA -0.255 3.855 4.120 -0.017 0.000 0.248 261 V C 2.671 178.791 176.094 0.044 0.000 1.053 261 V CA 1.897 64.206 62.300 0.015 0.000 1.027 261 V CB -1.917 29.909 31.823 0.006 0.000 0.646 261 V HN 0.651 nan 8.190 nan 0.000 0.447 262 G N 0.108 108.933 108.800 0.042 0.000 2.476 262 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.218 262 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.218 262 G C 1.623 176.578 174.900 0.091 0.000 1.164 262 G CA 0.980 46.113 45.100 0.055 0.000 0.768 262 G HN 0.479 nan 8.290 nan 0.000 0.560 263 K N 0.049 120.490 120.400 0.069 0.000 2.097 263 K HA 0.083 4.393 4.320 -0.017 0.000 0.205 263 K C 2.565 179.259 176.600 0.156 0.000 1.050 263 K CA 0.554 56.903 56.287 0.103 0.000 0.938 263 K CB -0.356 32.178 32.500 0.057 0.000 0.718 263 K HN 0.319 nan 8.250 nan 0.000 0.442 264 L N 1.455 122.736 121.223 0.097 0.000 2.017 264 L HA -0.202 4.128 4.340 -0.017 0.000 0.208 264 L C 2.034 178.971 176.870 0.111 0.000 1.073 264 L CA 1.064 55.950 54.840 0.076 0.000 0.745 264 L CB -0.552 41.525 42.059 0.029 0.000 0.894 264 L HN 0.203 nan 8.230 nan 0.000 0.432 265 N N -0.603 118.172 118.700 0.125 0.000 2.205 265 N HA -0.258 4.472 4.740 -0.017 0.000 0.186 265 N C 1.512 177.135 175.510 0.188 0.000 1.015 265 N CA 1.230 54.362 53.050 0.137 0.000 0.862 265 N CB -0.316 38.252 38.487 0.134 0.000 0.986 265 N HN 0.522 nan 8.380 nan 0.000 0.429 266 W N 1.687 123.013 121.300 0.044 0.000 2.467 266 W HA 0.022 4.672 4.660 -0.017 0.000 0.275 266 W C 1.742 178.327 176.519 0.110 0.000 1.239 266 W CA 1.173 58.545 57.345 0.046 0.000 1.266 266 W CB 0.043 29.495 29.460 -0.014 0.000 1.112 266 W HN 0.025 nan 8.180 nan 0.000 0.576 267 A N -0.114 122.824 122.820 0.197 0.000 1.970 267 A HA -0.169 4.141 4.320 -0.017 0.000 0.216 267 A C 1.977 179.682 177.584 0.201 0.000 1.170 267 A CA 1.641 53.818 52.037 0.234 0.000 0.645 267 A CB -1.202 17.895 19.000 0.162 0.000 0.816 267 A HN 0.215 nan 8.150 nan 0.000 0.447 268 S N -0.072 115.694 115.700 0.109 0.000 2.440 268 S HA -0.279 4.181 4.470 -0.017 0.000 0.240 268 S C 1.935 176.548 174.600 0.022 0.000 1.014 268 S CA 1.862 60.100 58.200 0.063 0.000 0.980 268 S CB -0.485 62.745 63.200 0.051 0.000 0.775 268 S HN 0.718 nan 8.310 nan 0.000 0.499 269 Q N -0.878 118.931 119.800 0.014 0.000 2.224 269 Q HA 0.053 4.382 4.340 -0.017 0.000 0.203 269 Q C 1.617 177.695 176.000 0.129 0.000 0.970 269 Q CA 1.310 57.163 55.803 0.083 0.000 0.865 269 Q CB -0.013 28.795 28.738 0.116 0.000 0.922 269 Q HN 0.640 nan 8.270 nan 0.000 0.445 270 I N -2.375 118.203 120.570 0.015 0.000 4.864 270 I HA 0.079 4.239 4.170 -0.017 0.000 0.337 270 I C -0.847 175.115 176.117 -0.257 0.000 1.283 270 I CA -0.216 60.988 61.300 -0.160 0.000 1.350 270 I CB 1.002 38.766 38.000 -0.393 0.000 1.412 270 I HN -0.095 nan 8.210 nan 0.000 0.487 271 Y N 3.830 124.089 120.300 -0.068 0.000 2.477 271 Y HA 0.453 4.993 4.550 -0.017 0.000 0.349 271 Y C -2.108 173.755 175.900 -0.062 0.000 0.977 271 Y CA -2.452 55.610 58.100 -0.063 0.000 1.214 271 Y CB 0.246 38.684 38.460 -0.037 0.000 1.124 271 Y HN 0.050 nan 8.280 nan 0.000 0.521 272 P HA 0.103 nan 4.420 nan 0.000 0.268 272 P C 0.749 178.068 177.300 0.032 0.000 1.205 272 P CA 0.772 63.880 63.100 0.014 0.000 0.771 272 P CB 0.862 32.554 31.700 -0.012 0.000 0.858 273 G N 1.980 110.786 108.800 0.010 0.000 2.179 273 G HA2 -0.211 3.739 3.960 -0.017 0.000 0.260 273 G HA3 -0.211 3.739 3.960 -0.017 0.000 0.260 273 G C 0.248 175.149 174.900 0.003 0.000 0.977 273 G CA -0.526 44.577 45.100 0.005 0.000 0.641 273 G HN 0.455 nan 8.290 nan 0.000 0.533 274 I N 0.827 121.406 120.570 0.014 0.000 2.710 274 I HA 0.228 4.388 4.170 -0.017 0.000 0.286 274 I C 0.783 176.899 176.117 -0.001 0.000 1.181 274 I CA 0.844 62.146 61.300 0.004 0.000 1.430 274 I CB 0.631 38.644 38.000 0.023 0.000 1.367 274 I HN 0.161 nan 8.210 nan 0.000 0.577 275 K N 4.754 125.146 120.400 -0.015 0.000 2.375 275 K HA 0.580 4.890 4.320 -0.017 0.000 0.249 275 K C -0.133 176.452 176.600 -0.026 0.000 0.942 275 K CA -0.575 55.702 56.287 -0.018 0.000 0.806 275 K CB 2.857 35.338 32.500 -0.032 0.000 1.227 275 K HN 0.442 nan 8.250 nan 0.000 0.430 276 V N -1.045 118.855 119.914 -0.023 0.000 3.399 276 V HA 0.197 4.307 4.120 -0.017 0.000 0.357 276 V C 1.267 177.338 176.094 -0.037 0.000 1.480 276 V CA -0.341 61.940 62.300 -0.031 0.000 1.263 276 V CB 0.294 32.109 31.823 -0.013 0.000 1.103 276 V HN 0.815 nan 8.190 nan 0.000 0.533 277 R N 0.586 121.062 120.500 -0.039 0.000 2.061 277 R HA -0.094 4.235 4.340 -0.017 0.000 0.230 277 R C 2.145 178.415 176.300 -0.050 0.000 1.140 277 R CA 2.276 58.350 56.100 -0.042 0.000 0.940 277 R CB -0.080 30.195 30.300 -0.043 0.000 0.839 277 R HN 0.570 nan 8.270 nan 0.000 0.429 278 Q N 0.686 120.451 119.800 -0.058 0.000 2.084 278 Q HA -0.119 4.211 4.340 -0.017 0.000 0.202 278 Q C 2.313 178.264 176.000 -0.081 0.000 0.978 278 Q CA 1.257 57.020 55.803 -0.067 0.000 0.844 278 Q CB -0.269 28.426 28.738 -0.071 0.000 0.898 278 Q HN 0.443 nan 8.270 nan 0.000 0.426 279 L N 0.223 121.390 121.223 -0.095 0.000 2.131 279 L HA -0.141 4.189 4.340 -0.017 0.000 0.210 279 L C 2.320 179.138 176.870 -0.087 0.000 1.092 279 L CA 0.994 55.761 54.840 -0.121 0.000 0.759 279 L CB -0.353 41.623 42.059 -0.138 0.000 0.903 279 L HN 0.098 nan 8.230 nan 0.000 0.435 280 S N -0.618 115.046 115.700 -0.060 0.000 2.395 280 S HA -0.113 4.347 4.470 -0.017 0.000 0.225 280 S C 1.937 176.515 174.600 -0.038 0.000 1.027 280 S CA 0.716 58.891 58.200 -0.041 0.000 0.965 280 S CB -0.004 63.179 63.200 -0.029 0.000 0.812 280 S HN 0.274 nan 8.310 nan 0.000 0.482 281 K N 0.875 121.249 120.400 -0.042 0.000 2.113 281 K HA -0.055 4.255 4.320 -0.017 0.000 0.208 281 K C 1.505 178.084 176.600 -0.036 0.000 1.047 281 K CA 0.953 57.218 56.287 -0.037 0.000 0.928 281 K CB -0.219 32.257 32.500 -0.041 0.000 0.716 281 K HN 0.264 nan 8.250 nan 0.000 0.446 282 L N 1.139 122.334 121.223 -0.046 0.000 2.672 282 L HA 0.105 4.434 4.340 -0.017 0.000 0.236 282 L C 0.672 177.520 176.870 -0.037 0.000 1.186 282 L CA 0.006 54.818 54.840 -0.046 0.000 0.977 282 L CB 0.196 42.213 42.059 -0.071 0.000 1.203 282 L HN 0.060 nan 8.230 nan 0.000 0.448 283 L N -0.654 120.553 121.223 -0.027 0.000 3.194 283 L HA 0.387 4.717 4.340 -0.017 0.000 0.183 283 L C 0.761 177.626 176.870 -0.007 0.000 1.359 283 L CA -0.135 54.696 54.840 -0.016 0.000 1.759 283 L CB -0.113 41.936 42.059 -0.016 0.000 1.854 283 L HN 0.095 nan 8.230 nan 0.000 0.906 284 R N 0.019 120.516 120.500 -0.005 0.000 2.507 284 R HA 0.158 4.488 4.340 -0.017 0.000 0.341 284 R C 0.275 176.574 176.300 -0.002 0.000 0.960 284 R CA 0.839 56.939 56.100 -0.001 0.000 1.032 284 R CB -0.190 30.110 30.300 0.001 0.000 0.933 284 R HN 0.723 nan 8.270 nan 0.000 0.418 285 G N 2.193 110.993 108.800 -0.000 0.000 2.639 285 G HA2 0.084 4.034 3.960 -0.017 0.000 0.201 285 G HA3 0.084 4.034 3.960 -0.017 0.000 0.201 285 G C -0.357 174.545 174.900 0.003 0.000 1.260 285 G CA 0.150 45.250 45.100 0.000 0.000 0.749 285 G HN 0.537 nan 8.290 nan 0.000 0.611 286 T N -0.108 114.448 114.554 0.005 0.000 2.865 286 T HA 0.474 4.814 4.350 -0.017 0.000 0.294 286 T C -0.664 174.040 174.700 0.007 0.000 1.119 286 T CA -0.606 61.498 62.100 0.006 0.000 1.007 286 T CB 2.541 71.412 68.868 0.006 0.000 1.225 286 T HN -0.027 nan 8.240 nan 0.000 0.515 287 K N 1.436 121.840 120.400 0.007 0.000 3.101 287 K HA 0.463 4.772 4.320 -0.017 0.000 0.229 287 K C -0.123 176.482 176.600 0.008 0.000 1.232 287 K CA -0.308 55.983 56.287 0.008 0.000 1.210 287 K CB 0.040 32.544 32.500 0.006 0.000 1.284 287 K HN 0.675 nan 8.250 nan 0.000 0.448 288 A N 1.620 124.445 122.820 0.010 0.000 2.396 288 A HA 0.140 4.450 4.320 -0.017 0.000 0.279 288 A C 1.078 178.670 177.584 0.013 0.000 1.165 288 A CA -0.189 51.854 52.037 0.010 0.000 0.824 288 A CB 0.090 19.098 19.000 0.012 0.000 1.100 288 A HN 0.581 nan 8.150 nan 0.000 0.516 289 L N 2.068 123.297 121.223 0.010 0.000 2.465 289 L HA -0.030 4.300 4.340 -0.017 0.000 0.224 289 L C 2.114 178.993 176.870 0.016 0.000 1.145 289 L CA 1.547 56.395 54.840 0.012 0.000 0.834 289 L CB 0.031 42.093 42.059 0.006 0.000 0.944 289 L HN 0.812 nan 8.230 nan 0.000 0.451 290 T N -1.925 112.637 114.554 0.014 0.000 3.170 290 T HA 0.023 4.363 4.350 -0.017 0.000 0.288 290 T C 0.455 175.166 174.700 0.017 0.000 0.992 290 T CA -0.375 61.733 62.100 0.013 0.000 0.909 290 T CB 0.075 68.946 68.868 0.005 0.000 1.133 290 T HN 0.056 nan 8.240 nan 0.000 0.530 291 E N 2.968 123.181 120.200 0.021 0.000 2.070 291 E HA 0.207 4.547 4.350 -0.017 0.000 0.282 291 E C 0.425 177.046 176.600 0.035 0.000 1.104 291 E CA -0.253 56.161 56.400 0.023 0.000 0.876 291 E CB 0.804 30.515 29.700 0.019 0.000 1.055 291 E HN 0.490 nan 8.360 nan 0.000 0.401 292 V N 3.253 123.188 119.914 0.036 0.000 2.814 292 V HA 0.136 4.245 4.120 -0.017 0.000 0.307 292 V C 0.387 176.518 176.094 0.062 0.000 1.089 292 V CA 0.101 62.435 62.300 0.057 0.000 1.212 292 V CB 0.056 31.906 31.823 0.046 0.000 0.912 292 V HN 0.462 nan 8.190 nan 0.000 0.497 293 I N 5.045 125.670 120.570 0.092 0.000 2.436 293 I HA 0.472 4.631 4.170 -0.017 0.000 0.289 293 I C -2.472 173.697 176.117 0.085 0.000 1.010 293 I CA -2.161 59.182 61.300 0.071 0.000 1.098 293 I CB 2.345 40.380 38.000 0.059 0.000 1.266 293 I HN 0.493 nan 8.210 nan 0.000 0.434 294 P HA 0.191 nan 4.420 nan 0.000 0.282 294 P C -0.595 176.709 177.300 0.007 0.000 1.274 294 P CA -0.476 62.652 63.100 0.046 0.000 0.770 294 P CB 0.525 32.241 31.700 0.028 0.000 0.867 295 L N 3.367 124.590 121.223 -0.000 0.000 2.477 295 L HA 0.099 4.429 4.340 -0.017 0.000 0.272 295 L C 1.242 178.073 176.870 -0.066 0.000 1.157 295 L CA 0.827 55.612 54.840 -0.092 0.000 0.889 295 L CB -0.338 41.634 42.059 -0.145 0.000 1.158 295 L HN 0.354 nan 8.230 nan 0.000 0.473 296 T N 2.118 116.623 114.554 -0.082 0.000 2.856 296 T HA 0.048 4.388 4.350 -0.017 0.000 0.306 296 T C 1.263 175.926 174.700 -0.061 0.000 1.062 296 T CA -0.366 61.697 62.100 -0.061 0.000 1.083 296 T CB 0.659 69.490 68.868 -0.063 0.000 0.984 296 T HN 0.746 nan 8.240 nan 0.000 0.542 297 E N 1.938 122.112 120.200 -0.044 0.000 2.058 297 E HA -0.123 4.217 4.350 -0.017 0.000 0.194 297 E C 2.081 178.651 176.600 -0.051 0.000 0.997 297 E CA 1.765 58.141 56.400 -0.040 0.000 0.801 297 E CB -0.091 29.591 29.700 -0.030 0.000 0.746 297 E HN 0.700 nan 8.360 nan 0.000 0.450 298 E N 0.665 120.833 120.200 -0.054 0.000 2.047 298 E HA -0.100 4.239 4.350 -0.017 0.000 0.191 298 E C 2.002 178.556 176.600 -0.077 0.000 0.987 298 E CA 1.235 57.600 56.400 -0.059 0.000 0.799 298 E CB -0.519 29.148 29.700 -0.055 0.000 0.752 298 E HN 0.294 nan 8.360 nan 0.000 0.449 299 A N 1.138 123.902 122.820 -0.094 0.000 1.986 299 A HA -0.287 4.023 4.320 -0.017 0.000 0.220 299 A C 1.942 179.436 177.584 -0.149 0.000 1.171 299 A CA 1.864 53.822 52.037 -0.131 0.000 0.640 299 A CB -0.479 18.424 19.000 -0.163 0.000 0.811 299 A HN 0.247 nan 8.150 nan 0.000 0.451 300 E N -1.211 118.916 120.200 -0.122 0.000 2.230 300 E HA -0.047 4.293 4.350 -0.017 0.000 0.192 300 E C 1.781 178.337 176.600 -0.074 0.000 0.987 300 E CA 0.637 56.974 56.400 -0.106 0.000 0.841 300 E CB -0.107 29.550 29.700 -0.072 0.000 0.783 300 E HN 0.496 nan 8.360 nan 0.000 0.481 301 L N 1.453 122.638 121.223 -0.065 0.000 2.217 301 L HA -0.077 4.253 4.340 -0.017 0.000 0.211 301 L C 1.985 178.821 176.870 -0.057 0.000 1.107 301 L CA 1.705 56.514 54.840 -0.051 0.000 0.783 301 L CB -0.127 41.905 42.059 -0.046 0.000 0.919 301 L HN 0.019 nan 8.230 nan 0.000 0.442 302 E N -0.984 119.174 120.200 -0.070 0.000 2.051 302 E HA -0.191 4.149 4.350 -0.017 0.000 0.189 302 E C 2.134 178.689 176.600 -0.075 0.000 0.979 302 E CA 0.829 57.187 56.400 -0.070 0.000 0.803 302 E CB -0.128 29.525 29.700 -0.078 0.000 0.761 302 E HN 0.387 nan 8.360 nan 0.000 0.451 303 L N 0.956 122.121 121.223 -0.096 0.000 2.079 303 L HA -0.135 4.194 4.340 -0.017 0.000 0.210 303 L C 2.159 178.993 176.870 -0.061 0.000 1.081 303 L CA 2.082 56.864 54.840 -0.097 0.000 0.752 303 L CB -0.608 41.364 42.059 -0.144 0.000 0.896 303 L HN 0.186 nan 8.230 nan 0.000 0.433 304 A N -0.776 122.013 122.820 -0.051 0.000 1.877 304 A HA -0.219 4.091 4.320 -0.017 0.000 0.216 304 A C 2.133 179.695 177.584 -0.037 0.000 1.186 304 A CA 1.725 53.742 52.037 -0.034 0.000 0.620 304 A CB -0.631 18.352 19.000 -0.028 0.000 0.822 304 A HN 0.588 nan 8.150 nan 0.000 0.443 305 E N 0.050 120.225 120.200 -0.042 0.000 2.085 305 E HA -0.202 4.138 4.350 -0.017 0.000 0.194 305 E C 1.756 178.328 176.600 -0.047 0.000 0.994 305 E CA 1.162 57.538 56.400 -0.040 0.000 0.801 305 E CB -0.272 29.404 29.700 -0.040 0.000 0.743 305 E HN 0.531 nan 8.360 nan 0.000 0.453 306 N N 0.901 119.568 118.700 -0.055 0.000 2.120 306 N HA -0.127 4.603 4.740 -0.017 0.000 0.188 306 N C 1.728 177.188 175.510 -0.084 0.000 1.024 306 N CA 0.933 53.942 53.050 -0.068 0.000 0.852 306 N CB -0.191 38.257 38.487 -0.065 0.000 1.003 306 N HN 0.161 nan 8.380 nan 0.000 0.424 307 R N 0.630 121.093 120.500 -0.062 0.000 2.081 307 R HA -0.117 4.212 4.340 -0.017 0.000 0.235 307 R C 2.001 178.264 176.300 -0.062 0.000 1.131 307 R CA 1.146 57.211 56.100 -0.058 0.000 0.960 307 R CB -0.177 30.106 30.300 -0.028 0.000 0.856 307 R HN 0.207 nan 8.270 nan 0.000 0.436 308 E N 1.146 121.317 120.200 -0.048 0.000 2.051 308 E HA -0.152 4.188 4.350 -0.017 0.000 0.192 308 E C 1.762 178.334 176.600 -0.047 0.000 0.991 308 E CA 1.298 57.675 56.400 -0.038 0.000 0.799 308 E CB -0.162 29.522 29.700 -0.027 0.000 0.748 308 E HN 0.268 nan 8.360 nan 0.000 0.449 309 I N 0.174 120.707 120.570 -0.061 0.000 2.226 309 I HA -0.259 3.901 4.170 -0.017 0.000 0.245 309 I C 2.068 178.105 176.117 -0.132 0.000 1.100 309 I CA 0.917 62.182 61.300 -0.059 0.000 1.374 309 I CB -0.216 37.752 38.000 -0.054 0.000 1.057 309 I HN 0.154 nan 8.210 nan 0.000 0.413 310 L N 0.297 121.370 121.223 -0.250 0.000 2.551 310 L HA -0.123 4.206 4.340 -0.017 0.000 0.228 310 L C 2.354 179.120 176.870 -0.174 0.000 1.153 310 L CA 0.712 55.297 54.840 -0.425 0.000 0.851 310 L CB -0.466 41.358 42.059 -0.392 0.000 0.959 310 L HN 0.193 nan 8.230 nan 0.000 0.451 311 K N 0.085 120.438 120.400 -0.077 0.000 2.026 311 K HA -0.082 4.228 4.320 -0.017 0.000 0.208 311 K C 0.452 177.066 176.600 0.025 0.000 1.048 311 K CA 0.871 57.146 56.287 -0.020 0.000 0.929 311 K CB 0.128 32.620 32.500 -0.013 0.000 0.713 311 K HN 0.166 nan 8.250 nan 0.000 0.439 312 E N 1.247 121.478 120.200 0.053 0.000 2.227 312 E HA 0.219 4.559 4.350 -0.017 0.000 0.282 312 E C -2.425 174.283 176.600 0.179 0.000 1.015 312 E CA -2.368 54.082 56.400 0.084 0.000 0.823 312 E CB 1.156 30.891 29.700 0.058 0.000 1.081 312 E HN 0.011 nan 8.360 nan 0.000 0.396 313 P HA 0.082 nan 4.420 nan 0.000 0.269 313 P C -0.720 176.602 177.300 0.038 0.000 1.209 313 P CA -0.105 63.097 63.100 0.170 0.000 0.776 313 P CB 0.699 32.459 31.700 0.101 0.000 0.876 314 V N 2.362 122.173 119.914 -0.172 0.000 2.962 314 V HA 0.514 4.623 4.120 -0.017 0.000 0.313 314 V C -0.192 175.671 176.094 -0.384 0.000 1.099 314 V CA -0.599 61.492 62.300 -0.349 0.000 0.971 314 V CB 2.068 33.553 31.823 -0.564 0.000 1.028 314 V HN 0.764 nan 8.190 nan 0.000 0.430 315 H N 0.633 119.458 119.070 -0.409 0.000 2.946 315 H HA 0.837 5.383 4.556 -0.017 0.000 0.365 315 H C -0.641 174.291 175.328 -0.660 0.000 1.197 315 H CA -0.559 55.178 56.048 -0.519 0.000 1.131 315 H CB 2.488 32.044 29.762 -0.343 0.000 1.849 315 H HN 0.849 nan 8.280 nan 0.000 0.555 316 G N 0.433 108.666 108.800 -0.945 0.000 2.473 316 G HA2 0.475 4.425 3.960 -0.017 0.000 0.321 316 G HA3 0.475 4.425 3.960 -0.017 0.000 0.321 316 G C -1.060 173.529 174.900 -0.518 0.000 1.200 316 G CA -0.438 44.090 45.100 -0.953 0.000 0.963 316 G HN 0.568 nan 8.290 nan 0.000 0.483 317 V N 0.074 119.969 119.914 -0.032 0.000 3.193 317 V HA 0.730 4.839 4.120 -0.017 0.000 0.320 317 V C -0.777 175.455 176.094 0.230 0.000 1.112 317 V CA -1.112 61.205 62.300 0.028 0.000 1.026 317 V CB 1.540 33.419 31.823 0.092 0.000 1.128 317 V HN 0.664 nan 8.190 nan 0.000 0.452 318 Y N 1.218 121.737 120.300 0.365 0.000 2.392 318 Y HA 0.376 4.916 4.550 -0.017 0.000 0.323 318 Y C -0.396 175.698 175.900 0.324 0.000 1.291 318 Y CA -0.335 57.963 58.100 0.330 0.000 1.345 318 Y CB 0.851 39.446 38.460 0.225 0.000 1.320 318 Y HN 0.682 nan 8.280 nan 0.000 0.518 319 Y N 1.804 122.337 120.300 0.388 0.000 2.319 319 Y HA 0.149 4.688 4.550 -0.017 0.000 0.328 319 Y C -0.526 175.467 175.900 0.154 0.000 1.133 319 Y CA -1.087 57.158 58.100 0.242 0.000 1.265 319 Y CB 0.672 39.325 38.460 0.322 0.000 1.218 319 Y HN 0.460 nan 8.280 nan 0.000 0.508 320 D N 8.495 128.625 120.400 -0.450 0.000 2.454 320 D HA 0.265 4.895 4.640 -0.017 0.000 0.247 320 D C -2.016 173.749 176.300 -0.892 0.000 1.129 320 D CA -2.352 51.366 54.000 -0.469 0.000 0.877 320 D CB 1.852 42.536 40.800 -0.193 0.000 1.082 320 D HN 0.343 nan 8.370 nan 0.000 0.537 321 P HA -0.153 nan 4.420 nan 0.000 0.218 321 P C 1.190 178.324 177.300 -0.277 0.000 1.148 321 P CA 0.728 63.458 63.100 -0.617 0.000 0.822 321 P CB 0.507 32.069 31.700 -0.230 0.000 0.784 322 S N 0.425 115.997 115.700 -0.213 0.000 2.354 322 S HA -0.132 4.328 4.470 -0.017 0.000 0.219 322 S C 1.088 175.623 174.600 -0.108 0.000 1.035 322 S CA 1.179 59.308 58.200 -0.118 0.000 1.037 322 S CB -0.800 62.346 63.200 -0.090 0.000 0.956 322 S HN 0.278 nan 8.310 nan 0.000 0.428 323 K N 2.272 122.597 120.400 -0.126 0.000 2.336 323 K HA 0.107 4.417 4.320 -0.017 0.000 0.262 323 K C -0.225 176.317 176.600 -0.096 0.000 0.992 323 K CA 0.005 56.236 56.287 -0.092 0.000 0.927 323 K CB 0.181 32.637 32.500 -0.074 0.000 0.956 323 K HN 0.380 nan 8.250 nan 0.000 0.495 324 D N 0.676 121.031 120.400 -0.075 0.000 2.478 324 D HA 0.242 4.872 4.640 -0.017 0.000 0.263 324 D C -0.372 175.845 176.300 -0.138 0.000 1.153 324 D CA -0.581 53.371 54.000 -0.080 0.000 1.038 324 D CB 0.502 41.257 40.800 -0.075 0.000 1.120 324 D HN 0.216 nan 8.370 nan 0.000 0.564 325 L N -0.232 120.870 121.223 -0.202 0.000 2.312 325 L HA 0.458 4.787 4.340 -0.017 0.000 0.281 325 L C -0.242 176.379 176.870 -0.414 0.000 1.070 325 L CA -0.675 53.945 54.840 -0.366 0.000 0.805 325 L CB 0.727 42.500 42.059 -0.475 0.000 1.174 325 L HN 0.247 nan 8.230 nan 0.000 0.434 326 I N 2.598 122.839 120.570 -0.548 0.000 2.545 326 I HA 0.625 4.785 4.170 -0.017 0.000 0.292 326 I C -0.384 175.261 176.117 -0.788 0.000 1.040 326 I CA -0.567 60.340 61.300 -0.656 0.000 1.068 326 I CB 2.174 39.741 38.000 -0.721 0.000 1.251 326 I HN 0.598 nan 8.210 nan 0.000 0.424 327 A N 4.829 127.256 122.820 -0.656 0.000 2.371 327 A HA 0.755 5.065 4.320 -0.017 0.000 0.311 327 A C -0.967 176.500 177.584 -0.195 0.000 1.068 327 A CA -0.470 51.294 52.037 -0.455 0.000 0.744 327 A CB 1.721 20.345 19.000 -0.627 0.000 1.239 327 A HN 0.770 nan 8.150 nan 0.000 0.435 328 E N 1.711 121.910 120.200 -0.002 0.000 2.266 328 E HA 0.749 5.089 4.350 -0.017 0.000 0.268 328 E C -1.536 175.182 176.600 0.197 0.000 0.879 328 E CA -0.490 55.981 56.400 0.118 0.000 0.762 328 E CB 1.496 31.310 29.700 0.190 0.000 1.199 328 E HN 0.610 nan 8.360 nan 0.000 0.422 329 I N 3.380 124.062 120.570 0.187 0.000 2.686 329 I HA 0.297 4.457 4.170 -0.017 0.000 0.295 329 I C -0.975 175.285 176.117 0.237 0.000 1.114 329 I CA -0.969 60.480 61.300 0.248 0.000 1.038 329 I CB 1.905 40.026 38.000 0.201 0.000 1.238 329 I HN 0.480 nan 8.210 nan 0.000 0.420 330 Q N 5.081 125.038 119.800 0.262 0.000 2.372 330 Q HA 0.474 4.804 4.340 -0.017 0.000 0.273 330 Q C -1.295 174.773 176.000 0.115 0.000 1.078 330 Q CA -1.030 54.875 55.803 0.171 0.000 0.806 330 Q CB 2.767 31.551 28.738 0.077 0.000 1.332 330 Q HN 0.543 nan 8.270 nan 0.000 0.435 331 K N 1.011 121.356 120.400 -0.091 0.000 2.258 331 K HA 0.063 4.373 4.320 -0.017 0.000 0.264 331 K C -0.010 176.365 176.600 -0.375 0.000 1.007 331 K CA 0.330 56.237 56.287 -0.634 0.000 0.941 331 K CB 0.946 33.031 32.500 -0.693 0.000 0.966 331 K HN 0.756 nan 8.250 nan 0.000 0.480 332 Q N 0.294 119.815 119.800 -0.466 0.000 2.345 332 Q HA 0.323 4.653 4.340 -0.017 0.000 0.176 332 Q C -0.522 175.338 176.000 -0.234 0.000 0.723 332 Q CA -0.142 55.511 55.803 -0.250 0.000 0.743 332 Q CB 1.173 29.805 28.738 -0.176 0.000 1.260 332 Q HN 0.748 nan 8.270 nan 0.000 0.535 333 G N 1.047 109.709 108.800 -0.231 0.000 2.552 333 G HA2 0.334 4.284 3.960 -0.017 0.000 0.288 333 G HA3 0.334 4.284 3.960 -0.017 0.000 0.288 333 G C -1.718 173.091 174.900 -0.153 0.000 1.358 333 G CA -0.264 44.733 45.100 -0.173 0.000 1.305 333 G HN 0.411 nan 8.290 nan 0.000 0.602 334 Q N 1.217 120.931 119.800 -0.144 0.000 2.418 334 Q HA -0.104 4.226 4.340 -0.017 0.000 0.340 334 Q C 0.876 176.838 176.000 -0.065 0.000 1.428 334 Q CA 1.024 56.773 55.803 -0.089 0.000 0.874 334 Q CB -1.900 26.796 28.738 -0.070 0.000 1.094 334 Q HN 2.686 nan 8.270 nan 0.000 0.334 335 G N 0.978 109.759 108.800 -0.033 0.000 2.168 335 G HA2 -0.352 3.598 3.960 -0.017 0.000 0.257 335 G HA3 -0.352 3.598 3.960 -0.017 0.000 0.257 335 G C -0.065 174.887 174.900 0.088 0.000 0.997 335 G CA 0.818 45.973 45.100 0.092 0.000 0.708 335 G HN 0.686 nan 8.290 nan 0.000 0.520 336 Q N -1.339 118.390 119.800 -0.119 0.000 2.333 336 Q HA 0.638 4.967 4.340 -0.017 0.000 0.267 336 Q C -0.875 174.958 176.000 -0.278 0.000 1.012 336 Q CA -0.754 55.009 55.803 -0.066 0.000 0.824 336 Q CB 1.435 30.128 28.738 -0.075 0.000 1.290 336 Q HN 0.365 nan 8.270 nan 0.000 0.449 337 W N 0.523 121.881 121.300 0.096 0.000 2.936 337 W HA 0.598 5.248 4.660 -0.017 0.000 0.338 337 W C -0.171 176.444 176.519 0.161 0.000 1.121 337 W CA -0.617 56.812 57.345 0.139 0.000 1.209 337 W CB 2.082 31.665 29.460 0.205 0.000 1.420 337 W HN 0.372 nan 8.180 nan 0.000 0.516 338 T N 1.386 116.148 114.554 0.347 0.000 2.906 338 T HA 0.768 5.108 4.350 -0.017 0.000 0.295 338 T C -1.612 173.274 174.700 0.309 0.000 1.075 338 T CA -0.438 61.798 62.100 0.226 0.000 1.005 338 T CB 0.988 69.905 68.868 0.082 0.000 1.136 338 T HN 0.400 nan 8.240 nan 0.000 0.498 339 Y N 0.762 121.153 120.300 0.153 0.000 2.625 339 Y HA 0.788 5.327 4.550 -0.017 0.000 0.338 339 Y C -1.320 174.649 175.900 0.116 0.000 1.123 339 Y CA -1.250 56.932 58.100 0.136 0.000 1.046 339 Y CB 1.266 39.810 38.460 0.139 0.000 1.299 339 Y HN 0.593 nan 8.280 nan 0.000 0.464 340 Q N 2.143 122.129 119.800 0.311 0.000 2.379 340 Q HA 0.637 4.966 4.340 -0.017 0.000 0.278 340 Q C -1.841 174.317 176.000 0.264 0.000 1.068 340 Q CA -0.827 55.117 55.803 0.233 0.000 0.816 340 Q CB 3.222 32.062 28.738 0.170 0.000 1.387 340 Q HN 0.926 nan 8.270 nan 0.000 0.413 341 I N 2.579 123.277 120.570 0.213 0.000 2.465 341 I HA 0.582 4.742 4.170 -0.017 0.000 0.291 341 I C -1.151 174.975 176.117 0.016 0.000 1.014 341 I CA -0.933 60.360 61.300 -0.012 0.000 1.093 341 I CB 1.391 39.418 38.000 0.044 0.000 1.267 341 I HN 0.709 nan 8.210 nan 0.000 0.431 342 Y N 2.756 122.983 120.300 -0.122 0.000 2.670 342 Y HA 0.514 5.054 4.550 -0.017 0.000 0.334 342 Y C -0.275 175.546 175.900 -0.131 0.000 1.185 342 Y CA -0.921 57.116 58.100 -0.105 0.000 1.053 342 Y CB 1.030 39.443 38.460 -0.079 0.000 1.298 342 Y HN 0.453 nan 8.280 nan 0.000 0.459 343 Q N 0.098 120.000 119.800 0.171 0.000 2.477 343 Q HA 0.296 4.626 4.340 -0.017 0.000 0.252 343 Q C -0.769 175.322 176.000 0.152 0.000 0.869 343 Q CA 0.255 56.105 55.803 0.077 0.000 0.969 343 Q CB 1.337 30.086 28.738 0.019 0.000 1.144 343 Q HN 0.765 nan 8.270 nan 0.000 0.577 344 E N 1.061 121.356 120.200 0.159 0.000 2.277 344 E HA 0.363 4.703 4.350 -0.017 0.000 0.266 344 E C -2.688 173.908 176.600 -0.006 0.000 0.901 344 E CA -2.410 54.043 56.400 0.088 0.000 0.782 344 E CB 1.634 31.371 29.700 0.063 0.000 1.228 344 E HN -0.133 nan 8.360 nan 0.000 0.424 345 P HA -0.013 nan 4.420 nan 0.000 0.265 345 P C -0.680 176.612 177.300 -0.012 0.000 1.193 345 P CA 0.368 63.364 63.100 -0.173 0.000 0.765 345 P CB 0.045 31.764 31.700 0.032 0.000 0.823 346 F N 0.042 119.830 119.950 -0.271 0.000 2.871 346 F HA -0.262 4.255 4.527 -0.017 0.000 0.326 346 F C 0.400 176.096 175.800 -0.173 0.000 0.675 346 F CA 1.038 58.916 58.000 -0.204 0.000 1.188 346 F CB -1.771 37.146 39.000 -0.138 0.000 1.567 346 F HN 0.338 nan 8.300 nan 0.000 0.325 347 K N 1.033 121.408 120.400 -0.042 0.000 2.579 347 K HA 0.312 4.622 4.320 -0.017 0.000 0.225 347 K C -0.432 176.168 176.600 -0.001 0.000 0.992 347 K CA -0.755 55.525 56.287 -0.011 0.000 1.018 347 K CB 0.843 33.374 32.500 0.052 0.000 1.249 347 K HN -0.090 nan 8.250 nan 0.000 0.489 348 N N 2.949 121.615 118.700 -0.057 0.000 2.497 348 N HA 0.042 4.772 4.740 -0.017 0.000 0.268 348 N C 0.984 176.562 175.510 0.114 0.000 1.171 348 N CA -0.185 52.884 53.050 0.031 0.000 0.948 348 N CB 0.856 39.316 38.487 -0.044 0.000 1.069 348 N HN 0.338 nan 8.380 nan 0.000 0.460 349 L N 1.619 122.977 121.223 0.225 0.000 2.095 349 L HA 0.033 4.363 4.340 -0.017 0.000 0.204 349 L C 1.042 178.224 176.870 0.522 0.000 1.080 349 L CA 1.726 56.798 54.840 0.385 0.000 0.759 349 L CB -0.763 41.505 42.059 0.348 0.000 0.914 349 L HN 0.729 nan 8.230 nan 0.000 0.439 350 K N -1.842 118.785 120.400 0.380 0.000 2.735 350 K HA 0.349 4.658 4.320 -0.017 0.000 0.295 350 K C -0.902 175.808 176.600 0.184 0.000 1.052 350 K CA -0.564 55.940 56.287 0.361 0.000 0.853 350 K CB 1.449 34.189 32.500 0.399 0.000 1.535 350 K HN -0.071 nan 8.250 nan 0.000 0.383 351 T N -2.443 112.153 114.554 0.071 0.000 2.742 351 T HA 0.918 5.258 4.350 -0.017 0.000 0.282 351 T C 0.122 174.584 174.700 -0.397 0.000 1.025 351 T CA -0.390 61.622 62.100 -0.147 0.000 1.020 351 T CB 1.732 70.525 68.868 -0.126 0.000 1.317 351 T HN 1.183 nan 8.240 nan 0.000 0.538 352 G N -0.086 108.217 108.800 -0.829 0.000 2.356 352 G HA2 0.572 4.521 3.960 -0.017 0.000 0.294 352 G HA3 0.572 4.521 3.960 -0.017 0.000 0.294 352 G C -2.167 172.364 174.900 -0.615 0.000 1.423 352 G CA -0.949 43.656 45.100 -0.825 0.000 0.806 352 G HN 0.985 nan 8.290 nan 0.000 0.527 353 K N -1.557 118.816 120.400 -0.045 0.000 2.482 353 K HA 0.766 5.076 4.320 -0.017 0.000 0.257 353 K C -2.014 174.837 176.600 0.418 0.000 0.969 353 K CA -1.187 55.222 56.287 0.203 0.000 0.842 353 K CB 2.890 35.456 32.500 0.110 0.000 1.359 353 K HN 0.660 nan 8.250 nan 0.000 0.441 354 Y N 0.650 121.129 120.300 0.297 0.000 2.333 354 Y HA 0.541 5.080 4.550 -0.017 0.000 0.324 354 Y C -1.672 174.380 175.900 0.254 0.000 1.033 354 Y CA -0.613 57.627 58.100 0.234 0.000 1.224 354 Y CB 1.751 40.304 38.460 0.155 0.000 1.120 354 Y HN 0.865 nan 8.280 nan 0.000 0.457 355 A N 7.016 129.627 122.820 -0.348 0.000 3.258 355 A HA 0.574 4.884 4.320 -0.017 0.000 0.318 355 A C -0.714 176.639 177.584 -0.386 0.000 0.990 355 A CA -0.604 51.274 52.037 -0.266 0.000 0.885 355 A CB 0.143 19.096 19.000 -0.079 0.000 1.090 355 A HN 0.669 nan 8.150 nan 0.000 0.479 356 R N 1.585 121.654 120.500 -0.719 0.000 2.513 356 R HA 0.537 4.866 4.340 -0.017 0.000 0.301 356 R C 0.261 176.442 176.300 -0.198 0.000 0.968 356 R CA -0.736 55.126 56.100 -0.397 0.000 0.872 356 R CB 1.073 31.161 30.300 -0.353 0.000 1.177 356 R HN 0.533 nan 8.270 nan 0.000 0.444 357 M N 1.818 121.381 119.600 -0.062 0.000 2.357 357 M HA 0.073 4.543 4.480 -0.017 0.000 0.266 357 M C 0.366 176.697 176.300 0.053 0.000 1.095 357 M CA 0.915 56.223 55.300 0.013 0.000 1.156 357 M CB 0.102 32.705 32.600 0.005 0.000 1.365 357 M HN 0.655 nan 8.290 nan 0.000 0.447 358 R N 0.286 120.813 120.500 0.046 0.000 3.776 358 R HA -0.137 4.193 4.340 -0.017 0.000 0.312 358 R C 0.084 176.427 176.300 0.072 0.000 1.181 358 R CA 0.488 56.632 56.100 0.074 0.000 0.836 358 R CB -2.620 27.747 30.300 0.112 0.000 1.324 358 R HN 0.593 nan 8.270 nan 0.000 0.501 359 G N -2.948 105.872 108.800 0.032 0.000 2.339 359 G HA2 0.415 4.365 3.960 -0.017 0.000 0.302 359 G HA3 0.415 4.365 3.960 -0.017 0.000 0.302 359 G C 0.263 175.105 174.900 -0.096 0.000 1.425 359 G CA -0.100 45.003 45.100 0.005 0.000 0.899 359 G HN 0.175 nan 8.290 nan 0.000 0.619 360 A N -0.431 122.231 122.820 -0.263 0.000 1.930 360 A HA 0.282 4.592 4.320 -0.017 0.000 0.217 360 A C 0.991 178.178 177.584 -0.662 0.000 1.175 360 A CA 1.741 53.430 52.037 -0.580 0.000 0.627 360 A CB -0.535 17.883 19.000 -0.970 0.000 0.815 360 A HN 0.887 nan 8.150 nan 0.000 0.443 361 H N -2.151 116.967 119.070 0.080 0.000 2.768 361 H HA 0.672 5.217 4.556 -0.017 0.000 0.371 361 H C -0.978 174.411 175.328 0.100 0.000 1.151 361 H CA -0.243 55.854 56.048 0.082 0.000 1.165 361 H CB 1.524 31.332 29.762 0.077 0.000 1.722 361 H HN 0.127 nan 8.280 nan 0.000 0.543 362 T N 1.227 115.899 114.554 0.197 0.000 2.665 362 T HA 0.268 4.608 4.350 -0.017 0.000 0.303 362 T C -0.939 173.839 174.700 0.130 0.000 1.334 362 T CA -1.069 61.121 62.100 0.150 0.000 1.011 362 T CB 1.934 70.870 68.868 0.114 0.000 1.573 362 T HN 0.853 nan 8.240 nan 0.000 0.492 363 N N -0.767 117.974 118.700 0.069 0.000 2.525 363 N HA 0.441 5.171 4.740 -0.017 0.000 0.270 363 N C -0.222 175.297 175.510 0.014 0.000 1.321 363 N CA -0.751 52.330 53.050 0.052 0.000 0.797 363 N CB 0.526 39.008 38.487 -0.009 0.000 1.529 363 N HN 0.318 nan 8.380 nan 0.000 0.491 364 D N -0.001 120.461 120.400 0.104 0.000 2.116 364 D HA -0.131 4.499 4.640 -0.017 0.000 0.193 364 D C 1.690 177.940 176.300 -0.083 0.000 0.998 364 D CA 1.369 55.498 54.000 0.215 0.000 0.836 364 D CB -0.259 40.730 40.800 0.315 0.000 0.951 364 D HN 0.383 nan 8.370 nan 0.000 0.449 365 V N 1.036 120.746 119.914 -0.341 0.000 2.255 365 V HA -0.268 3.842 4.120 -0.017 0.000 0.247 365 V C 2.453 178.041 176.094 -0.843 0.000 1.051 365 V CA 1.906 63.807 62.300 -0.665 0.000 1.018 365 V CB -0.574 30.563 31.823 -1.143 0.000 0.641 365 V HN 0.191 nan 8.190 nan 0.000 0.445 366 K N -0.534 119.317 120.400 -0.914 0.000 2.147 366 K HA -0.218 4.091 4.320 -0.017 0.000 0.205 366 K C 2.256 178.647 176.600 -0.348 0.000 1.049 366 K CA 1.592 57.503 56.287 -0.627 0.000 0.936 366 K CB -0.077 32.216 32.500 -0.345 0.000 0.722 366 K HN 0.547 nan 8.250 nan 0.000 0.446 367 Q N 0.106 119.734 119.800 -0.287 0.000 2.096 367 Q HA -0.105 4.225 4.340 -0.017 0.000 0.197 367 Q C 2.114 177.702 176.000 -0.687 0.000 0.964 367 Q CA 0.798 56.462 55.803 -0.232 0.000 0.838 367 Q CB -0.003 28.761 28.738 0.044 0.000 0.906 367 Q HN 0.239 nan 8.270 nan 0.000 0.444 368 L N 0.580 121.272 121.223 -0.886 0.000 2.083 368 L HA -0.146 4.184 4.340 -0.017 0.000 0.209 368 L C 2.018 178.399 176.870 -0.814 0.000 1.083 368 L CA 1.915 56.089 54.840 -1.111 0.000 0.752 368 L CB -0.729 40.848 42.059 -0.804 0.000 0.899 368 L HN 0.082 nan 8.230 nan 0.000 0.433 369 T N -0.509 113.675 114.554 -0.618 0.000 2.821 369 T HA -0.135 4.204 4.350 -0.017 0.000 0.267 369 T C 1.634 176.030 174.700 -0.507 0.000 1.046 369 T CA 1.619 63.419 62.100 -0.501 0.000 1.139 369 T CB -0.176 68.570 68.868 -0.204 0.000 0.871 369 T HN 0.506 nan 8.240 nan 0.000 0.454 370 E N 1.372 121.264 120.200 -0.514 0.000 2.072 370 E HA 0.017 4.357 4.350 -0.017 0.000 0.191 370 E C 2.603 178.655 176.600 -0.914 0.000 0.985 370 E CA 0.888 56.958 56.400 -0.549 0.000 0.801 370 E CB -0.240 29.232 29.700 -0.379 0.000 0.750 370 E HN 0.453 nan 8.360 nan 0.000 0.452 371 A N 1.205 123.304 122.820 -1.202 0.000 1.940 371 A HA -0.169 4.141 4.320 -0.017 0.000 0.219 371 A C 2.526 179.677 177.584 -0.722 0.000 1.176 371 A CA 1.268 52.628 52.037 -1.128 0.000 0.631 371 A CB -0.771 17.731 19.000 -0.831 0.000 0.814 371 A HN 0.125 nan 8.150 nan 0.000 0.446 372 V N -0.155 119.320 119.914 -0.732 0.000 2.332 372 V HA -0.305 3.805 4.120 -0.017 0.000 0.248 372 V C 2.753 178.523 176.094 -0.539 0.000 1.055 372 V CA 2.433 64.251 62.300 -0.803 0.000 1.038 372 V CB -0.763 30.409 31.823 -1.085 0.000 0.651 372 V HN 0.734 nan 8.190 nan 0.000 0.450 373 Q N 0.793 120.319 119.800 -0.456 0.000 2.050 373 Q HA -0.222 4.108 4.340 -0.017 0.000 0.202 373 Q C 2.282 178.163 176.000 -0.198 0.000 0.980 373 Q CA 2.095 57.737 55.803 -0.269 0.000 0.840 373 Q CB -0.468 28.135 28.738 -0.224 0.000 0.898 373 Q HN 0.572 nan 8.270 nan 0.000 0.424 374 K N -0.255 119.985 120.400 -0.267 0.000 2.057 374 K HA -0.143 4.167 4.320 -0.017 0.000 0.207 374 K C 2.027 178.547 176.600 -0.134 0.000 1.049 374 K CA 1.534 57.725 56.287 -0.159 0.000 0.931 374 K CB -0.243 32.171 32.500 -0.144 0.000 0.714 374 K HN 0.343 nan 8.250 nan 0.000 0.440 375 I N 0.746 121.182 120.570 -0.223 0.000 2.252 375 I HA -0.246 3.914 4.170 -0.017 0.000 0.245 375 I C 2.170 178.291 176.117 0.006 0.000 1.102 375 I CA 1.325 62.513 61.300 -0.187 0.000 1.385 375 I CB -0.300 37.550 38.000 -0.250 0.000 1.064 375 I HN 0.199 nan 8.210 nan 0.000 0.414 376 T N -0.006 114.591 114.554 0.072 0.000 2.684 376 T HA -0.189 4.150 4.350 -0.017 0.000 0.267 376 T C 1.895 176.628 174.700 0.055 0.000 1.036 376 T CA 2.138 64.309 62.100 0.119 0.000 1.148 376 T CB -0.445 68.484 68.868 0.103 0.000 0.863 376 T HN 0.378 nan 8.240 nan 0.000 0.436 377 T N 1.517 116.079 114.554 0.014 0.000 2.746 377 T HA -0.114 4.226 4.350 -0.017 0.000 0.267 377 T C 1.912 176.610 174.700 -0.005 0.000 1.039 377 T CA 1.409 63.514 62.100 0.008 0.000 1.142 377 T CB -0.267 68.600 68.868 -0.001 0.000 0.866 377 T HN 0.537 nan 8.240 nan 0.000 0.444 378 E N 0.786 120.978 120.200 -0.014 0.000 2.077 378 E HA -0.136 4.203 4.350 -0.017 0.000 0.193 378 E C 2.315 178.855 176.600 -0.101 0.000 0.989 378 E CA 1.277 57.645 56.400 -0.054 0.000 0.800 378 E CB -0.045 29.642 29.700 -0.021 0.000 0.746 378 E HN 0.388 nan 8.360 nan 0.000 0.452 379 S N 0.674 116.397 115.700 0.038 0.000 2.368 379 S HA -0.156 4.304 4.470 -0.017 0.000 0.225 379 S C 1.985 176.653 174.600 0.113 0.000 1.030 379 S CA 1.153 59.486 58.200 0.222 0.000 0.999 379 S CB -0.250 63.105 63.200 0.260 0.000 0.844 379 S HN 0.302 nan 8.310 nan 0.000 0.459 380 I N 1.163 121.765 120.570 0.053 0.000 2.226 380 I HA -0.154 4.005 4.170 -0.017 0.000 0.245 380 I C 2.224 178.325 176.117 -0.028 0.000 1.100 380 I CA 0.924 62.244 61.300 0.034 0.000 1.374 380 I CB -0.497 37.524 38.000 0.035 0.000 1.057 380 I HN 0.155 nan 8.210 nan 0.000 0.413 381 V N 1.191 121.062 119.914 -0.071 0.000 2.261 381 V HA -0.286 3.824 4.120 -0.017 0.000 0.246 381 V C 2.261 178.229 176.094 -0.211 0.000 1.047 381 V CA 2.035 64.271 62.300 -0.107 0.000 1.015 381 V CB -0.378 31.387 31.823 -0.098 0.000 0.642 381 V HN 0.315 nan 8.190 nan 0.000 0.446 382 I N -1.743 118.573 120.570 -0.423 0.000 2.286 382 I HA -0.175 3.985 4.170 -0.017 0.000 0.245 382 I C 2.212 177.868 176.117 -0.768 0.000 1.104 382 I CA 1.547 62.389 61.300 -0.763 0.000 1.397 382 I CB -0.252 36.856 38.000 -1.487 0.000 1.072 382 I HN 0.381 nan 8.210 nan 0.000 0.417 383 W N -0.136 121.028 121.300 -0.227 0.000 2.915 383 W HA 0.372 5.022 4.660 -0.017 0.000 0.276 383 W C 1.486 177.908 176.519 -0.162 0.000 1.215 383 W CA 0.811 57.957 57.345 -0.333 0.000 1.514 383 W CB -0.308 28.834 29.460 -0.531 0.000 1.017 383 W HN 0.280 nan 8.180 nan 0.000 0.598 384 G N 2.109 110.958 108.800 0.083 0.000 2.130 384 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.216 384 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.216 384 G C 0.042 174.997 174.900 0.092 0.000 0.999 384 G CA 0.535 45.678 45.100 0.073 0.000 0.686 384 G HN 0.344 nan 8.290 nan 0.000 0.515 385 K N -1.748 118.719 120.400 0.111 0.000 2.617 385 K HA 0.732 5.042 4.320 -0.017 0.000 0.293 385 K C -0.431 176.217 176.600 0.080 0.000 1.034 385 K CA -0.531 55.808 56.287 0.088 0.000 0.884 385 K CB 0.576 33.125 32.500 0.081 0.000 1.541 385 K HN 0.516 nan 8.250 nan 0.000 0.409 386 T N -0.708 113.875 114.554 0.049 0.000 2.902 386 T HA 0.593 4.933 4.350 -0.017 0.000 0.283 386 T C -2.322 172.324 174.700 -0.091 0.000 1.009 386 T CA -1.618 60.497 62.100 0.025 0.000 1.051 386 T CB 1.335 70.259 68.868 0.093 0.000 0.999 386 T HN 0.486 nan 8.240 nan 0.000 0.474 387 P HA 0.412 nan 4.420 nan 0.000 0.283 387 P C -1.057 175.929 177.300 -0.524 0.000 1.278 387 P CA -0.945 61.884 63.100 -0.452 0.000 0.834 387 P CB 1.131 32.449 31.700 -0.636 0.000 1.150 388 K N 0.861 121.001 120.400 -0.433 0.000 2.258 388 K HA 0.379 4.689 4.320 -0.017 0.000 0.284 388 K C -0.363 176.006 176.600 -0.384 0.000 1.051 388 K CA -0.244 55.880 56.287 -0.273 0.000 0.923 388 K CB 0.312 32.711 32.500 -0.168 0.000 1.046 388 K HN 0.338 nan 8.250 nan 0.000 0.474 389 F N 1.903 121.803 119.950 -0.084 0.000 2.379 389 F HA 0.293 4.810 4.527 -0.017 0.000 0.332 389 F C 0.583 176.385 175.800 0.005 0.000 1.096 389 F CA -0.413 57.538 58.000 -0.082 0.000 1.105 389 F CB 1.168 40.088 39.000 -0.132 0.000 1.189 389 F HN 0.162 nan 8.300 nan 0.000 0.515 390 K N 4.452 124.957 120.400 0.174 0.000 2.535 390 K HA 0.612 4.922 4.320 -0.017 0.000 0.253 390 K C -1.459 175.221 176.600 0.134 0.000 0.953 390 K CA -0.414 55.958 56.287 0.143 0.000 0.863 390 K CB 1.542 34.079 32.500 0.063 0.000 1.111 390 K HN 0.495 nan 8.250 nan 0.000 0.431 391 L N 3.909 125.226 121.223 0.158 0.000 2.381 391 L HA 0.477 4.807 4.340 -0.017 0.000 0.268 391 L C -2.032 174.904 176.870 0.111 0.000 0.997 391 L CA -2.214 52.659 54.840 0.056 0.000 0.818 391 L CB 2.202 44.145 42.059 -0.194 0.000 1.310 391 L HN 0.418 nan 8.230 nan 0.000 0.416 392 P HA 0.116 nan 4.420 nan 0.000 0.249 392 P C -0.552 176.904 177.300 0.260 0.000 1.686 392 P CA 0.610 63.791 63.100 0.135 0.000 0.873 392 P CB 0.123 31.898 31.700 0.125 0.000 1.828 393 I N -0.972 119.833 120.570 0.392 0.000 2.692 393 I HA 0.271 4.431 4.170 -0.017 0.000 0.293 393 I C -0.900 175.526 176.117 0.514 0.000 1.200 393 I CA -1.064 60.446 61.300 0.350 0.000 1.036 393 I CB 2.995 41.069 38.000 0.123 0.000 1.258 393 I HN -0.159 nan 8.210 nan 0.000 0.421 394 Q N 5.159 125.060 119.800 0.169 0.000 2.260 394 Q HA 0.260 4.590 4.340 -0.017 0.000 0.242 394 Q C 0.544 176.653 176.000 0.182 0.000 0.932 394 Q CA -0.634 55.083 55.803 -0.144 0.000 0.891 394 Q CB 1.479 29.913 28.738 -0.508 0.000 1.222 394 Q HN 0.534 nan 8.270 nan 0.000 0.453 395 K N 2.050 122.550 120.400 0.166 0.000 2.089 395 K HA -0.271 4.039 4.320 -0.017 0.000 0.210 395 K C 1.483 178.250 176.600 0.279 0.000 1.048 395 K CA 1.837 58.297 56.287 0.288 0.000 0.926 395 K CB -0.118 32.397 32.500 0.025 0.000 0.714 395 K HN 0.743 nan 8.250 nan 0.000 0.448 396 E N 0.364 120.626 120.200 0.104 0.000 2.023 396 E HA -0.161 4.178 4.350 -0.017 0.000 0.196 396 E C 1.720 178.383 176.600 0.104 0.000 1.003 396 E CA 1.907 58.346 56.400 0.066 0.000 0.809 396 E CB 0.035 29.726 29.700 -0.014 0.000 0.755 396 E HN 0.238 nan 8.360 nan 0.000 0.449 397 T N 1.290 115.904 114.554 0.100 0.000 2.570 397 T HA -0.252 4.088 4.350 -0.017 0.000 0.266 397 T C 1.305 176.131 174.700 0.210 0.000 1.071 397 T CA 1.683 63.845 62.100 0.103 0.000 1.172 397 T CB -0.811 68.103 68.868 0.076 0.000 0.864 397 T HN 0.509 nan 8.240 nan 0.000 0.421 398 W N 2.410 123.801 121.300 0.152 0.000 2.363 398 W HA -0.168 4.482 4.660 -0.017 0.000 0.296 398 W C 2.103 178.854 176.519 0.386 0.000 1.212 398 W CA 1.709 59.204 57.345 0.250 0.000 1.260 398 W CB -0.487 29.070 29.460 0.163 0.000 1.131 398 W HN 0.382 nan 8.180 nan 0.000 0.530 399 E N 0.452 120.850 120.200 0.331 0.000 2.038 399 E HA -0.213 4.127 4.350 -0.017 0.000 0.195 399 E C 2.175 178.604 176.600 -0.286 0.000 1.000 399 E CA 3.204 59.639 56.400 0.059 0.000 0.803 399 E CB -0.694 29.082 29.700 0.128 0.000 0.750 399 E HN 0.035 nan 8.360 nan 0.000 0.448 400 T N -0.374 114.103 114.554 -0.128 0.000 2.674 400 T HA -0.183 4.157 4.350 -0.017 0.000 0.265 400 T C 1.145 175.726 174.700 -0.199 0.000 1.039 400 T CA 1.466 63.467 62.100 -0.165 0.000 1.150 400 T CB -0.725 68.102 68.868 -0.068 0.000 0.864 400 T HN 0.499 nan 8.240 nan 0.000 0.427 401 W N 1.695 122.838 121.300 -0.263 0.000 2.331 401 W HA -0.149 4.501 4.660 -0.017 0.000 0.291 401 W C 2.111 178.472 176.519 -0.264 0.000 1.214 401 W CA 1.339 58.523 57.345 -0.268 0.000 1.228 401 W CB -0.309 28.983 29.460 -0.280 0.000 1.135 401 W HN 0.582 nan 8.180 nan 0.000 0.537 402 W N -0.788 120.051 121.300 -0.769 0.000 2.630 402 W HA 0.104 4.754 4.660 -0.017 0.000 0.271 402 W C 1.397 177.601 176.519 -0.524 0.000 1.244 402 W CA 1.033 57.813 57.345 -0.942 0.000 1.353 402 W CB -1.137 27.756 29.460 -0.945 0.000 1.080 402 W HN -0.316 nan 8.180 nan 0.000 0.594 403 T N 1.765 115.719 114.554 -0.999 0.000 2.849 403 T HA -0.256 4.083 4.350 -0.017 0.000 0.270 403 T C 1.493 175.943 174.700 -0.416 0.000 1.066 403 T CA 2.287 63.849 62.100 -0.897 0.000 1.130 403 T CB -0.197 68.190 68.868 -0.802 0.000 0.864 403 T HN 0.326 nan 8.240 nan 0.000 0.481 404 E N -0.675 119.304 120.200 -0.368 0.000 2.216 404 E HA 0.015 4.354 4.350 -0.017 0.000 0.192 404 E C 0.090 176.579 176.600 -0.186 0.000 0.973 404 E CA -0.248 56.013 56.400 -0.231 0.000 0.851 404 E CB 0.101 29.683 29.700 -0.197 0.000 0.804 404 E HN 0.397 nan 8.360 nan 0.000 0.477 405 Y N 1.967 121.934 120.300 -0.556 0.000 2.632 405 Y HA -0.140 4.400 4.550 -0.017 0.000 0.329 405 Y C 0.893 176.555 175.900 -0.397 0.000 1.174 405 Y CA -0.603 57.104 58.100 -0.654 0.000 1.469 405 Y CB 0.266 37.962 38.460 -1.274 0.000 1.242 405 Y HN 0.211 nan 8.280 nan 0.000 0.540 406 W N 4.244 125.216 121.300 -0.547 0.000 2.611 406 W HA -0.037 4.613 4.660 -0.017 0.000 0.251 406 W C -0.219 175.991 176.519 -0.516 0.000 1.265 406 W CA 0.291 57.372 57.345 -0.440 0.000 1.295 406 W CB -0.350 28.904 29.460 -0.343 0.000 1.129 406 W HN 0.573 nan 8.180 nan 0.000 0.630 407 Q N 1.358 120.127 119.800 -1.719 0.000 2.204 407 Q HA 0.587 4.917 4.340 -0.017 0.000 0.254 407 Q C -0.681 175.015 176.000 -0.506 0.000 0.981 407 Q CA -0.521 54.557 55.803 -1.209 0.000 0.897 407 Q CB 1.930 29.556 28.738 -1.852 0.000 1.273 407 Q HN 0.034 nan 8.270 nan 0.000 0.464 408 A N 1.769 124.443 122.820 -0.245 0.000 2.289 408 A HA 0.600 4.910 4.320 -0.017 0.000 0.298 408 A C -0.490 177.053 177.584 -0.068 0.000 1.208 408 A CA -0.124 51.839 52.037 -0.122 0.000 0.845 408 A CB 0.391 19.352 19.000 -0.066 0.000 1.125 408 A HN 0.763 nan 8.150 nan 0.000 0.517 409 T N -0.538 113.972 114.554 -0.075 0.000 2.864 409 T HA 0.803 5.142 4.350 -0.017 0.000 0.289 409 T C -0.739 174.030 174.700 0.114 0.000 1.082 409 T CA -0.757 61.383 62.100 0.067 0.000 1.009 409 T CB 1.809 70.808 68.868 0.217 0.000 1.234 409 T HN 1.296 nan 8.240 nan 0.000 0.526 410 W N 0.826 122.113 121.300 -0.022 0.000 3.419 410 W HA 0.611 5.260 4.660 -0.017 0.000 0.298 410 W C -2.959 173.480 176.519 -0.133 0.000 1.260 410 W CA -1.313 55.989 57.345 -0.071 0.000 1.199 410 W CB 1.087 30.490 29.460 -0.096 0.000 1.349 410 W HN 0.799 nan 8.180 nan 0.000 0.557 411 I N 5.027 124.781 120.570 -1.360 0.000 2.607 411 I HA 0.263 4.423 4.170 -0.017 0.000 0.290 411 I C -2.074 173.143 176.117 -1.501 0.000 1.129 411 I CA -2.076 58.440 61.300 -1.307 0.000 1.042 411 I CB 2.613 39.892 38.000 -1.201 0.000 1.242 411 I HN 0.066 nan 8.210 nan 0.000 0.421 412 P HA 0.038 nan 4.420 nan 0.000 0.272 412 P C -0.406 176.778 177.300 -0.193 0.000 1.254 412 P CA -0.377 62.529 63.100 -0.324 0.000 0.795 412 P CB 0.420 32.171 31.700 0.085 0.000 1.022 413 E N -0.054 120.128 120.200 -0.029 0.000 2.481 413 E HA 0.000 4.340 4.350 -0.017 0.000 0.263 413 E C -0.509 176.172 176.600 0.136 0.000 0.992 413 E CA 0.846 57.249 56.400 0.005 0.000 0.938 413 E CB 0.077 29.779 29.700 0.002 0.000 0.933 413 E HN 0.425 nan 8.360 nan 0.000 0.453 414 W N 1.883 123.110 121.300 -0.123 0.000 3.047 414 W HA 0.538 5.187 4.660 -0.017 0.000 0.341 414 W C -1.339 175.152 176.519 -0.047 0.000 1.225 414 W CA -0.858 56.439 57.345 -0.080 0.000 1.150 414 W CB 0.857 30.212 29.460 -0.174 0.000 1.470 414 W HN 0.347 nan 8.180 nan 0.000 0.578 415 E N 1.928 122.227 120.200 0.165 0.000 2.266 415 E HA 0.385 4.725 4.350 -0.017 0.000 0.268 415 E C -1.736 175.045 176.600 0.302 0.000 0.879 415 E CA -1.183 55.238 56.400 0.035 0.000 0.762 415 E CB 1.774 31.495 29.700 0.035 0.000 1.199 415 E HN 0.463 nan 8.360 nan 0.000 0.422 416 F N 4.801 124.803 119.950 0.086 0.000 2.472 416 F HA 0.315 4.832 4.527 -0.017 0.000 0.364 416 F C -1.141 174.728 175.800 0.114 0.000 1.090 416 F CA -0.341 57.768 58.000 0.182 0.000 1.188 416 F CB 0.694 39.768 39.000 0.124 0.000 1.105 416 F HN 0.106 nan 8.300 nan 0.000 0.536 417 V N 7.138 126.699 119.914 -0.589 0.000 2.328 417 V HA 0.145 4.254 4.120 -0.017 0.000 0.278 417 V C 0.043 175.547 176.094 -0.983 0.000 1.021 417 V CA -0.845 61.089 62.300 -0.611 0.000 0.838 417 V CB 1.003 32.697 31.823 -0.214 0.000 0.999 417 V HN 0.814 nan 8.190 nan 0.000 0.447 418 N N 4.098 122.196 118.700 -1.003 0.000 2.605 418 N HA 0.230 4.959 4.740 -0.017 0.000 0.258 418 N C -0.332 175.055 175.510 -0.205 0.000 1.156 418 N CA -0.077 52.633 53.050 -0.566 0.000 1.008 418 N CB 0.241 38.633 38.487 -0.158 0.000 1.354 418 N HN 0.833 nan 8.380 nan 0.000 0.509 419 T N 0.907 115.378 114.554 -0.139 0.000 3.313 419 T HA 0.257 4.597 4.350 -0.017 0.000 0.333 419 T C -2.717 171.975 174.700 -0.014 0.000 0.904 419 T CA -1.390 60.674 62.100 -0.059 0.000 1.079 419 T CB 1.375 70.203 68.868 -0.068 0.000 1.017 419 T HN 0.216 nan 8.240 nan 0.000 0.471 420 P HA 0.158 nan 4.420 nan 0.000 0.269 420 P C -2.265 175.048 177.300 0.021 0.000 1.205 420 P CA -0.638 62.486 63.100 0.040 0.000 0.780 420 P CB -0.300 31.427 31.700 0.045 0.000 0.858 421 P HA 0.247 nan 4.420 nan 0.000 0.281 421 P C -0.663 176.679 177.300 0.071 0.000 1.252 421 P CA -0.281 62.851 63.100 0.053 0.000 0.778 421 P CB 0.530 32.254 31.700 0.039 0.000 0.895 422 L N 3.737 125.018 121.223 0.097 0.000 2.375 422 L HA 0.204 4.534 4.340 -0.017 0.000 0.271 422 L C 0.470 177.402 176.870 0.103 0.000 1.107 422 L CA -0.562 54.354 54.840 0.127 0.000 0.806 422 L CB 1.156 43.316 42.059 0.168 0.000 1.146 422 L HN 0.190 nan 8.230 nan 0.000 0.447 423 V N 3.462 123.455 119.914 0.132 0.000 2.715 423 V HA 0.380 4.490 4.120 -0.017 0.000 0.299 423 V C 0.112 176.193 176.094 -0.022 0.000 1.054 423 V CA -0.293 62.072 62.300 0.107 0.000 1.077 423 V CB 0.581 32.495 31.823 0.153 0.000 0.972 423 V HN 0.909 nan 8.190 nan 0.000 0.484 424 K N 3.848 124.158 120.400 -0.149 0.000 2.615 424 K HA 0.662 4.972 4.320 -0.017 0.000 0.291 424 K C -1.788 174.535 176.600 -0.461 0.000 1.017 424 K CA -1.103 54.982 56.287 -0.336 0.000 0.882 424 K CB 1.503 33.690 32.500 -0.522 0.000 1.522 424 K HN 0.320 nan 8.250 nan 0.000 0.412 425 L N 1.856 122.845 121.223 -0.389 0.000 2.265 425 L HA 0.316 4.646 4.340 -0.017 0.000 0.288 425 L C -0.069 176.580 176.870 -0.367 0.000 1.058 425 L CA -0.576 54.085 54.840 -0.298 0.000 0.809 425 L CB 0.313 42.271 42.059 -0.170 0.000 1.179 425 L HN 0.682 nan 8.230 nan 0.000 0.429 426 W N 2.903 124.188 121.300 -0.026 0.000 2.770 426 W HA 0.031 4.681 4.660 -0.017 0.000 0.256 426 W C 0.102 176.745 176.519 0.206 0.000 1.291 426 W CA -0.123 57.283 57.345 0.102 0.000 1.396 426 W CB 0.007 29.578 29.460 0.185 0.000 1.114 426 W HN 0.488 nan 8.180 nan 0.000 0.637 427 Y N -2.247 118.166 120.300 0.188 0.000 2.573 427 Y HA 0.527 5.067 4.550 -0.017 0.000 0.328 427 Y C -1.159 174.797 175.900 0.093 0.000 1.170 427 Y CA -2.090 56.087 58.100 0.128 0.000 1.078 427 Y CB 0.337 38.879 38.460 0.136 0.000 1.341 427 Y HN -0.185 nan 8.280 nan 0.000 0.459 428 Q N 3.357 123.244 119.800 0.145 0.000 2.356 428 Q HA 0.623 4.952 4.340 -0.017 0.000 0.270 428 Q C -1.298 174.803 176.000 0.168 0.000 1.058 428 Q CA -1.082 54.761 55.803 0.068 0.000 0.802 428 Q CB 3.267 32.022 28.738 0.027 0.000 1.303 428 Q HN 0.755 nan 8.270 nan 0.000 0.444 429 L N 1.835 123.152 121.223 0.157 0.000 2.375 429 L HA 0.271 4.601 4.340 -0.017 0.000 0.271 429 L C 0.640 177.593 176.870 0.139 0.000 1.107 429 L CA -0.727 54.209 54.840 0.160 0.000 0.806 429 L CB 0.516 42.657 42.059 0.136 0.000 1.146 429 L HN 0.451 nan 8.230 nan 0.000 0.447 430 E N 1.746 122.051 120.200 0.174 0.000 2.422 430 E HA 0.005 4.345 4.350 -0.017 0.000 0.260 430 E C 0.091 176.843 176.600 0.253 0.000 1.108 430 E CA 0.233 56.746 56.400 0.189 0.000 0.943 430 E CB 0.723 30.553 29.700 0.216 0.000 0.961 430 E HN 0.426 nan 8.360 nan 0.000 0.443 431 K N 0.813 121.316 120.400 0.172 0.000 2.358 431 K HA 0.128 4.438 4.320 -0.017 0.000 0.200 431 K C -0.041 176.653 176.600 0.156 0.000 1.030 431 K CA 0.126 56.520 56.287 0.180 0.000 1.097 431 K CB 0.758 33.307 32.500 0.082 0.000 0.862 431 K HN 0.284 nan 8.250 nan 0.000 0.534 432 E N 0.687 120.870 120.200 -0.027 0.000 2.413 432 E HA 0.276 4.615 4.350 -0.017 0.000 0.277 432 E C -2.872 173.194 176.600 -0.890 0.000 0.958 432 E CA -2.281 53.884 56.400 -0.391 0.000 0.779 432 E CB 1.909 31.491 29.700 -0.197 0.000 1.278 432 E HN -0.162 nan 8.360 nan 0.000 0.456 433 P HA 0.223 nan 4.420 nan 0.000 0.271 433 P C -0.082 177.024 177.300 -0.322 0.000 1.218 433 P CA -0.083 62.487 63.100 -0.882 0.000 0.780 433 P CB 0.642 32.007 31.700 -0.559 0.000 0.901 434 I N 1.521 122.004 120.570 -0.145 0.000 2.612 434 I HA 0.072 4.231 4.170 -0.017 0.000 0.295 434 I C 1.895 177.986 176.117 -0.042 0.000 1.011 434 I CA -0.482 60.782 61.300 -0.059 0.000 1.326 434 I CB 0.898 38.898 38.000 0.000 0.000 1.427 434 I HN 0.101 nan 8.210 nan 0.000 0.537 435 V N 3.133 123.029 119.914 -0.030 0.000 2.500 435 V HA 0.031 4.141 4.120 -0.017 0.000 0.243 435 V C 1.666 177.757 176.094 -0.005 0.000 1.039 435 V CA 1.376 63.664 62.300 -0.020 0.000 1.053 435 V CB -0.338 31.472 31.823 -0.022 0.000 0.695 435 V HN 0.988 nan 8.190 nan 0.000 0.463 436 G N -0.035 108.765 108.800 0.001 0.000 3.814 436 G HA2 0.553 4.503 3.960 -0.017 0.000 0.293 436 G HA3 0.553 4.503 3.960 -0.017 0.000 0.293 436 G C 0.088 174.998 174.900 0.017 0.000 1.243 436 G CA 0.610 45.715 45.100 0.007 0.000 1.053 436 G HN 0.505 nan 8.290 nan 0.000 0.562 437 A N 0.204 123.038 122.820 0.023 0.000 2.303 437 A HA 0.667 4.977 4.320 -0.017 0.000 0.320 437 A C 0.031 177.650 177.584 0.058 0.000 1.192 437 A CA -0.644 51.419 52.037 0.043 0.000 0.821 437 A CB 1.057 20.085 19.000 0.047 0.000 1.188 437 A HN 0.349 nan 8.150 nan 0.000 0.492 438 E N 1.480 121.729 120.200 0.082 0.000 2.452 438 E HA 0.178 4.518 4.350 -0.017 0.000 0.261 438 E C -0.560 176.116 176.600 0.126 0.000 0.987 438 E CA 0.376 56.818 56.400 0.069 0.000 0.926 438 E CB 0.442 30.191 29.700 0.081 0.000 0.934 438 E HN 0.526 nan 8.360 nan 0.000 0.452 439 T N 5.077 119.653 114.554 0.037 0.000 2.749 439 T HA 0.307 4.647 4.350 -0.017 0.000 0.287 439 T C -0.932 173.748 174.700 -0.033 0.000 0.970 439 T CA -0.335 61.789 62.100 0.039 0.000 0.980 439 T CB 0.026 68.900 68.868 0.010 0.000 0.924 439 T HN 0.232 nan 8.240 nan 0.000 0.456 440 F N 2.817 122.674 119.950 -0.156 0.000 2.415 440 F HA 0.425 4.942 4.527 -0.017 0.000 0.348 440 F C -0.179 175.518 175.800 -0.172 0.000 1.119 440 F CA -1.171 56.754 58.000 -0.125 0.000 1.069 440 F CB 0.827 39.706 39.000 -0.201 0.000 1.124 440 F HN 0.511 nan 8.300 nan 0.000 0.472 441 Y N 3.382 123.767 120.300 0.142 0.000 2.385 441 Y HA 0.490 5.029 4.550 -0.017 0.000 0.341 441 Y C 0.137 176.139 175.900 0.169 0.000 0.965 441 Y CA -0.969 57.196 58.100 0.108 0.000 1.180 441 Y CB 1.051 39.539 38.460 0.047 0.000 1.139 441 Y HN 0.398 nan 8.280 nan 0.000 0.502 442 V N -0.081 119.971 119.914 0.230 0.000 2.850 442 V HA 0.839 4.948 4.120 -0.017 0.000 0.315 442 V C -0.887 175.296 176.094 0.149 0.000 1.064 442 V CA -0.502 61.931 62.300 0.221 0.000 0.979 442 V CB 2.173 34.106 31.823 0.183 0.000 1.039 442 V HN 0.617 nan 8.190 nan 0.000 0.452 443 D N 0.341 120.820 120.400 0.131 0.000 2.706 443 D HA 0.711 5.341 4.640 -0.017 0.000 0.225 443 D C -0.539 175.812 176.300 0.084 0.000 1.241 443 D CA 0.492 54.547 54.000 0.090 0.000 0.784 443 D CB 2.131 42.972 40.800 0.068 0.000 1.521 443 D HN 1.194 nan 8.370 nan 0.000 0.461 444 G N -0.084 108.761 108.800 0.076 0.000 2.620 444 G HA2 0.843 4.793 3.960 -0.017 0.000 0.301 444 G HA3 0.843 4.793 3.960 -0.017 0.000 0.301 444 G C -1.543 173.393 174.900 0.061 0.000 1.347 444 G CA -0.322 44.820 45.100 0.071 0.000 0.971 444 G HN 0.587 nan 8.290 nan 0.000 0.488 445 A N -0.311 122.540 122.820 0.052 0.000 2.549 445 A HA 1.014 5.323 4.320 -0.017 0.000 0.297 445 A C -0.520 177.086 177.584 0.037 0.000 1.061 445 A CA -0.053 52.012 52.037 0.047 0.000 0.690 445 A CB 1.723 20.753 19.000 0.050 0.000 1.287 445 A HN 2.314 nan 8.150 nan 0.000 0.402 446 A N 1.317 124.157 122.820 0.032 0.000 2.515 446 A HA 0.740 5.050 4.320 -0.017 0.000 0.298 446 A C -0.912 176.684 177.584 0.020 0.000 1.059 446 A CA -0.689 51.362 52.037 0.024 0.000 0.698 446 A CB 1.242 20.254 19.000 0.020 0.000 1.289 446 A HN 0.779 nan 8.150 nan 0.000 0.404 447 N N 1.001 119.711 118.700 0.016 0.000 2.422 447 N HA 0.114 4.844 4.740 -0.017 0.000 0.264 447 N C 0.674 176.190 175.510 0.009 0.000 1.063 447 N CA -0.318 52.740 53.050 0.013 0.000 0.959 447 N CB 0.843 39.337 38.487 0.011 0.000 1.087 447 N HN 0.626 nan 8.380 nan 0.000 0.483 448 R N 1.968 122.473 120.500 0.008 0.000 2.285 448 R HA -0.121 4.208 4.340 -0.017 0.000 0.213 448 R C 0.635 176.937 176.300 0.004 0.000 1.068 448 R CA 0.895 56.998 56.100 0.005 0.000 1.004 448 R CB 0.320 30.623 30.300 0.004 0.000 0.873 448 R HN 0.633 nan 8.270 nan 0.000 0.467 449 E N -0.412 119.791 120.200 0.005 0.000 2.192 449 E HA -0.049 4.291 4.350 -0.017 0.000 0.196 449 E C 1.680 178.283 176.600 0.005 0.000 0.922 449 E CA 1.332 57.734 56.400 0.004 0.000 0.924 449 E CB -0.005 29.697 29.700 0.004 0.000 0.911 449 E HN 0.144 nan 8.360 nan 0.000 0.478 450 T N -1.039 113.518 114.554 0.006 0.000 3.055 450 T HA 0.024 4.364 4.350 -0.017 0.000 0.265 450 T C 0.617 175.321 174.700 0.007 0.000 1.111 450 T CA 0.769 62.873 62.100 0.006 0.000 1.118 450 T CB -0.305 68.567 68.868 0.007 0.000 0.909 450 T HN 0.240 nan 8.240 nan 0.000 0.501 451 K N 0.567 120.971 120.400 0.007 0.000 3.088 451 K HA -0.130 4.180 4.320 -0.017 0.000 0.273 451 K C -0.364 176.243 176.600 0.011 0.000 1.111 451 K CA 0.304 56.596 56.287 0.008 0.000 0.803 451 K CB -2.127 30.377 32.500 0.006 0.000 1.226 451 K HN 0.508 nan 8.250 nan 0.000 0.485 452 L N -0.091 121.139 121.223 0.011 0.000 2.360 452 L HA 0.601 4.931 4.340 -0.017 0.000 0.271 452 L C 1.025 177.905 176.870 0.016 0.000 1.057 452 L CA -0.284 54.564 54.840 0.013 0.000 0.803 452 L CB 1.629 43.695 42.059 0.011 0.000 1.207 452 L HN 0.232 nan 8.230 nan 0.000 0.445 453 G N 1.318 110.130 108.800 0.019 0.000 2.921 453 G HA2 0.664 4.614 3.960 -0.017 0.000 0.291 453 G HA3 0.664 4.614 3.960 -0.017 0.000 0.291 453 G C -1.705 173.209 174.900 0.024 0.000 1.370 453 G CA -0.514 44.600 45.100 0.024 0.000 0.847 453 G HN 0.455 nan 8.290 nan 0.000 0.532 454 K N -1.241 119.176 120.400 0.028 0.000 2.532 454 K HA 0.723 5.033 4.320 -0.017 0.000 0.265 454 K C -1.339 175.283 176.600 0.035 0.000 0.948 454 K CA -0.728 55.574 56.287 0.025 0.000 0.842 454 K CB 2.784 35.294 32.500 0.017 0.000 1.392 454 K HN 0.883 nan 8.250 nan 0.000 0.436 455 A N 0.787 123.626 122.820 0.031 0.000 2.459 455 A HA 0.869 5.179 4.320 -0.017 0.000 0.296 455 A C -0.865 176.730 177.584 0.019 0.000 1.039 455 A CA -0.278 51.788 52.037 0.048 0.000 0.698 455 A CB 1.913 20.957 19.000 0.074 0.000 1.261 455 A HN 0.790 nan 8.150 nan 0.000 0.405 456 G N -0.087 108.732 108.800 0.031 0.000 2.619 456 G HA2 0.793 4.743 3.960 -0.017 0.000 0.305 456 G HA3 0.793 4.743 3.960 -0.017 0.000 0.305 456 G C -1.318 173.624 174.900 0.070 0.000 1.330 456 G CA 0.178 45.245 45.100 -0.055 0.000 0.789 456 G HN 2.021 nan 8.290 nan 0.000 0.487 457 Y N -2.994 117.372 120.300 0.111 0.000 2.677 457 Y HA 0.763 5.302 4.550 -0.017 0.000 0.334 457 Y C -1.501 174.447 175.900 0.080 0.000 1.196 457 Y CA -1.515 56.672 58.100 0.146 0.000 1.059 457 Y CB 1.660 40.293 38.460 0.289 0.000 1.315 457 Y HN 0.572 nan 8.280 nan 0.000 0.455 458 V N 1.951 122.103 119.914 0.396 0.000 2.623 458 V HA 0.638 4.747 4.120 -0.017 0.000 0.304 458 V C -0.345 175.836 176.094 0.146 0.000 1.054 458 V CA -0.035 62.392 62.300 0.212 0.000 0.882 458 V CB 1.881 33.758 31.823 0.090 0.000 1.002 458 V HN 1.087 nan 8.190 nan 0.000 0.424 459 T N 0.510 115.041 114.554 -0.039 0.000 2.949 459 T HA 0.337 4.677 4.350 -0.017 0.000 0.287 459 T C 0.997 175.654 174.700 -0.072 0.000 1.034 459 T CA -0.054 61.923 62.100 -0.204 0.000 1.018 459 T CB 1.485 69.942 68.868 -0.685 0.000 1.135 459 T HN 0.749 nan 8.240 nan 0.000 0.532 460 N N 0.421 119.101 118.700 -0.034 0.000 2.309 460 N HA -0.072 4.657 4.740 -0.017 0.000 0.182 460 N C 1.464 176.950 175.510 -0.040 0.000 1.018 460 N CA 0.375 53.423 53.050 -0.004 0.000 0.876 460 N CB -0.225 38.285 38.487 0.038 0.000 0.972 460 N HN 0.563 nan 8.380 nan 0.000 0.434 461 K N -0.475 119.877 120.400 -0.079 0.000 2.555 461 K HA 0.051 4.361 4.320 -0.017 0.000 0.193 461 K C 0.696 177.266 176.600 -0.051 0.000 1.032 461 K CA 0.548 56.797 56.287 -0.062 0.000 1.004 461 K CB -0.081 32.374 32.500 -0.074 0.000 0.804 461 K HN 0.535 nan 8.250 nan 0.000 0.496 462 G N 1.562 110.330 108.800 -0.052 0.000 2.175 462 G HA2 -0.264 3.686 3.960 -0.017 0.000 0.244 462 G HA3 -0.264 3.686 3.960 -0.017 0.000 0.244 462 G C -0.120 174.772 174.900 -0.014 0.000 0.982 462 G CA -0.300 44.782 45.100 -0.030 0.000 0.641 462 G HN 0.246 nan 8.290 nan 0.000 0.527 463 R N 0.465 120.953 120.500 -0.019 0.000 2.441 463 R HA 0.561 4.890 4.340 -0.017 0.000 0.284 463 R C 0.140 176.517 176.300 0.128 0.000 1.070 463 R CA 0.141 56.274 56.100 0.056 0.000 1.047 463 R CB 0.577 30.922 30.300 0.076 0.000 1.016 463 R HN 0.468 nan 8.270 nan 0.000 0.477 464 Q N 1.468 121.324 119.800 0.094 0.000 2.421 464 Q HA 0.483 4.813 4.340 -0.017 0.000 0.280 464 Q C -1.283 174.598 176.000 -0.199 0.000 1.085 464 Q CA -0.979 54.814 55.803 -0.018 0.000 0.807 464 Q CB 3.300 32.019 28.738 -0.033 0.000 1.405 464 Q HN 0.362 nan 8.270 nan 0.000 0.419 465 K N 0.408 120.510 120.400 -0.496 0.000 2.572 465 K HA 0.586 4.896 4.320 -0.017 0.000 0.263 465 K C -2.112 174.247 176.600 -0.401 0.000 0.932 465 K CA -0.439 55.546 56.287 -0.504 0.000 0.838 465 K CB 2.099 34.138 32.500 -0.770 0.000 1.366 465 K HN 0.389 nan 8.250 nan 0.000 0.425 466 V N 3.020 122.808 119.914 -0.211 0.000 2.760 466 V HA 0.586 4.696 4.120 -0.017 0.000 0.309 466 V C -1.178 174.871 176.094 -0.075 0.000 1.077 466 V CA -0.880 61.346 62.300 -0.124 0.000 0.910 466 V CB 2.002 33.780 31.823 -0.076 0.000 1.008 466 V HN 0.548 nan 8.190 nan 0.000 0.424 467 V N 5.988 125.877 119.914 -0.041 0.000 2.531 467 V HA 0.512 4.622 4.120 -0.017 0.000 0.301 467 V C -2.306 173.792 176.094 0.007 0.000 1.034 467 V CA -1.726 60.568 62.300 -0.010 0.000 0.865 467 V CB 2.783 34.611 31.823 0.008 0.000 0.995 467 V HN 0.783 nan 8.190 nan 0.000 0.424 468 P HA 0.379 nan 4.420 nan 0.000 0.275 468 P C -1.252 176.061 177.300 0.022 0.000 1.227 468 P CA -0.108 63.000 63.100 0.013 0.000 0.781 468 P CB 1.347 33.053 31.700 0.009 0.000 0.906 469 L N 1.749 122.987 121.223 0.024 0.000 2.354 469 L HA 0.569 4.899 4.340 -0.017 0.000 0.264 469 L C 0.469 177.353 176.870 0.022 0.000 1.008 469 L CA -0.545 54.312 54.840 0.028 0.000 0.819 469 L CB 2.434 44.515 42.059 0.036 0.000 1.339 469 L HN 0.284 nan 8.230 nan 0.000 0.420 470 T N 0.461 115.028 114.554 0.021 0.000 2.908 470 T HA 0.257 4.596 4.350 -0.017 0.000 0.290 470 T C -0.234 174.476 174.700 0.016 0.000 1.034 470 T CA -0.396 61.714 62.100 0.016 0.000 1.010 470 T CB 1.267 70.143 68.868 0.014 0.000 1.068 470 T HN 0.649 nan 8.240 nan 0.000 0.481 471 N N 1.921 120.629 118.700 0.013 0.000 2.637 471 N HA -0.186 4.544 4.740 -0.017 0.000 0.287 471 N C -0.677 174.841 175.510 0.013 0.000 1.130 471 N CA 1.280 54.336 53.050 0.011 0.000 0.764 471 N CB -0.641 37.852 38.487 0.009 0.000 0.935 471 N HN 0.736 nan 8.380 nan 0.000 0.558 472 T N -0.164 114.398 114.554 0.014 0.000 2.754 472 T HA 0.791 5.131 4.350 -0.017 0.000 0.296 472 T C -0.577 174.129 174.700 0.011 0.000 1.205 472 T CA 0.169 62.278 62.100 0.016 0.000 1.009 472 T CB 1.120 70.003 68.868 0.024 0.000 1.368 472 T HN 0.529 nan 8.240 nan 0.000 0.509 473 T N 0.029 114.589 114.554 0.010 0.000 2.907 473 T HA 0.462 4.802 4.350 -0.017 0.000 0.290 473 T C 0.937 175.637 174.700 0.000 0.000 1.066 473 T CA -0.662 61.436 62.100 -0.004 0.000 1.012 473 T CB 1.454 70.307 68.868 -0.024 0.000 1.184 473 T HN 0.464 nan 8.240 nan 0.000 0.522 474 N N 0.309 119.003 118.700 -0.010 0.000 2.036 474 N HA -0.143 4.587 4.740 -0.017 0.000 0.195 474 N C 2.006 177.517 175.510 0.001 0.000 1.037 474 N CA 1.903 54.954 53.050 0.002 0.000 0.855 474 N CB -0.382 38.102 38.487 -0.004 0.000 1.033 474 N HN 0.693 nan 8.380 nan 0.000 0.423 475 Q N -0.351 119.404 119.800 -0.074 0.000 2.135 475 Q HA -0.170 4.160 4.340 -0.017 0.000 0.204 475 Q C 1.840 177.884 176.000 0.074 0.000 0.981 475 Q CA 1.251 56.983 55.803 -0.119 0.000 0.856 475 Q CB -0.087 28.280 28.738 -0.617 0.000 0.902 475 Q HN 0.224 nan 8.270 nan 0.000 0.425 476 K N 0.303 120.729 120.400 0.045 0.000 2.097 476 K HA -0.115 4.195 4.320 -0.017 0.000 0.205 476 K C 2.116 178.772 176.600 0.093 0.000 1.050 476 K CA 1.721 58.060 56.287 0.087 0.000 0.938 476 K CB -0.172 32.358 32.500 0.050 0.000 0.718 476 K HN 0.353 nan 8.250 nan 0.000 0.442 477 T N -2.187 112.413 114.554 0.077 0.000 2.904 477 T HA -0.047 4.293 4.350 -0.017 0.000 0.267 477 T C 1.747 176.508 174.700 0.102 0.000 1.059 477 T CA 0.942 63.090 62.100 0.081 0.000 1.137 477 T CB -0.180 68.726 68.868 0.063 0.000 0.879 477 T HN 0.108 nan 8.240 nan 0.000 0.467 478 E N 1.278 121.549 120.200 0.119 0.000 2.077 478 E HA 0.041 4.380 4.350 -0.017 0.000 0.193 478 E C 2.010 178.693 176.600 0.138 0.000 0.989 478 E CA 0.923 57.406 56.400 0.139 0.000 0.800 478 E CB -0.600 29.209 29.700 0.182 0.000 0.746 478 E HN 0.529 nan 8.360 nan 0.000 0.452 479 L N -0.063 121.249 121.223 0.150 0.000 2.141 479 L HA -0.175 4.155 4.340 -0.017 0.000 0.209 479 L C 2.505 179.444 176.870 0.115 0.000 1.094 479 L CA 1.091 55.994 54.840 0.104 0.000 0.763 479 L CB -0.210 41.903 42.059 0.090 0.000 0.908 479 L HN 0.190 nan 8.230 nan 0.000 0.437 480 Q N -0.146 119.730 119.800 0.126 0.000 2.119 480 Q HA -0.140 4.189 4.340 -0.017 0.000 0.201 480 Q C 2.225 178.337 176.000 0.187 0.000 0.972 480 Q CA 1.634 57.539 55.803 0.171 0.000 0.847 480 Q CB -0.078 28.740 28.738 0.134 0.000 0.903 480 Q HN 0.464 nan 8.270 nan 0.000 0.433 481 A N 0.052 122.958 122.820 0.144 0.000 1.933 481 A HA -0.140 4.170 4.320 -0.017 0.000 0.218 481 A C 2.000 179.668 177.584 0.140 0.000 1.175 481 A CA 1.275 53.399 52.037 0.145 0.000 0.628 481 A CB -0.603 18.476 19.000 0.132 0.000 0.814 481 A HN 0.468 nan 8.150 nan 0.000 0.444 482 I N -2.021 118.616 120.570 0.113 0.000 2.202 482 I HA -0.227 3.933 4.170 -0.017 0.000 0.242 482 I C 2.457 178.607 176.117 0.055 0.000 1.091 482 I CA 1.545 62.881 61.300 0.060 0.000 1.368 482 I CB -0.422 37.603 38.000 0.041 0.000 1.058 482 I HN 0.521 nan 8.210 nan 0.000 0.410 483 Y N 1.549 121.835 120.300 -0.022 0.000 2.207 483 Y HA -0.288 4.252 4.550 -0.017 0.000 0.287 483 Y C 2.257 178.140 175.900 -0.028 0.000 1.156 483 Y CA 1.461 59.539 58.100 -0.037 0.000 1.182 483 Y CB -0.408 38.043 38.460 -0.016 0.000 0.979 483 Y HN 0.073 nan 8.280 nan 0.000 0.521 484 L N 0.652 121.842 121.223 -0.054 0.000 2.017 484 L HA -0.095 4.235 4.340 -0.017 0.000 0.208 484 L C 2.534 179.347 176.870 -0.095 0.000 1.073 484 L CA 2.248 57.042 54.840 -0.076 0.000 0.745 484 L CB -1.478 40.659 42.059 0.130 0.000 0.894 484 L HN 0.259 nan 8.230 nan 0.000 0.432 485 A N -0.554 122.200 122.820 -0.110 0.000 1.883 485 A HA -0.202 4.108 4.320 -0.017 0.000 0.217 485 A C 2.278 179.430 177.584 -0.720 0.000 1.186 485 A CA 2.084 53.795 52.037 -0.544 0.000 0.624 485 A CB -1.003 17.742 19.000 -0.425 0.000 0.822 485 A HN 0.506 nan 8.150 nan 0.000 0.444 486 L N -0.889 120.079 121.223 -0.425 0.000 2.079 486 L HA -0.280 4.050 4.340 -0.017 0.000 0.210 486 L C 2.900 179.567 176.870 -0.339 0.000 1.081 486 L CA 1.685 56.314 54.840 -0.353 0.000 0.752 486 L CB -0.582 41.355 42.059 -0.204 0.000 0.896 486 L HN 0.513 nan 8.230 nan 0.000 0.433 487 Q N -0.393 119.185 119.800 -0.369 0.000 2.119 487 Q HA -0.178 4.152 4.340 -0.017 0.000 0.201 487 Q C 1.160 177.038 176.000 -0.203 0.000 0.972 487 Q CA 1.305 56.925 55.803 -0.304 0.000 0.847 487 Q CB 0.025 28.526 28.738 -0.396 0.000 0.903 487 Q HN 0.466 nan 8.270 nan 0.000 0.433 488 D N 0.076 120.348 120.400 -0.214 0.000 2.339 488 D HA 0.006 4.635 4.640 -0.017 0.000 0.217 488 D C 0.332 176.567 176.300 -0.108 0.000 1.050 488 D CA 0.197 54.143 54.000 -0.089 0.000 0.856 488 D CB 0.243 41.097 40.800 0.091 0.000 0.922 488 D HN 0.125 nan 8.370 nan 0.000 0.518 489 S N -1.091 114.427 115.700 -0.304 0.000 2.730 489 S HA 0.715 5.174 4.470 -0.017 0.000 0.284 489 S C 0.822 175.370 174.600 -0.087 0.000 1.153 489 S CA -0.755 57.320 58.200 -0.208 0.000 0.995 489 S CB 1.724 64.636 63.200 -0.481 0.000 1.058 489 S HN 0.045 nan 8.310 nan 0.000 0.552 490 G N -0.635 108.151 108.800 -0.024 0.000 2.508 490 G HA2 0.424 4.374 3.960 -0.017 0.000 0.278 490 G HA3 0.424 4.374 3.960 -0.017 0.000 0.278 490 G C 0.555 175.438 174.900 -0.029 0.000 1.389 490 G CA -0.979 44.113 45.100 -0.013 0.000 1.050 490 G HN 0.703 nan 8.290 nan 0.000 0.522 491 L N -0.601 120.615 121.223 -0.012 0.000 2.450 491 L HA 0.083 4.413 4.340 -0.017 0.000 0.224 491 L C 0.660 177.528 176.870 -0.004 0.000 1.149 491 L CA 1.048 55.883 54.840 -0.009 0.000 0.816 491 L CB -0.293 41.768 42.059 0.003 0.000 0.932 491 L HN 0.439 nan 8.230 nan 0.000 0.449 492 E N -0.718 119.482 120.200 -0.000 0.000 2.263 492 E HA 0.529 4.868 4.350 -0.017 0.000 0.268 492 E C -1.359 175.250 176.600 0.015 0.000 0.884 492 E CA -0.260 56.147 56.400 0.012 0.000 0.766 492 E CB 3.293 33.005 29.700 0.021 0.000 1.196 492 E HN -0.186 nan 8.360 nan 0.000 0.416 493 V N 2.958 122.880 119.914 0.015 0.000 3.048 493 V HA 0.405 4.515 4.120 -0.017 0.000 0.303 493 V C -1.815 174.314 176.094 0.059 0.000 1.214 493 V CA -0.726 61.588 62.300 0.023 0.000 0.984 493 V CB 2.366 34.132 31.823 -0.094 0.000 1.054 493 V HN 0.651 nan 8.190 nan 0.000 0.430 494 N N 5.620 124.381 118.700 0.102 0.000 2.408 494 N HA 0.634 5.363 4.740 -0.017 0.000 0.280 494 N C -1.070 174.474 175.510 0.057 0.000 1.002 494 N CA -0.142 52.988 53.050 0.133 0.000 0.907 494 N CB 2.106 40.679 38.487 0.144 0.000 1.161 494 N HN 0.615 nan 8.380 nan 0.000 0.488 495 I N 1.430 121.991 120.570 -0.015 0.000 2.498 495 I HA 0.341 4.500 4.170 -0.017 0.000 0.290 495 I C -0.523 175.515 176.117 -0.131 0.000 1.032 495 I CA -1.004 60.255 61.300 -0.067 0.000 1.073 495 I CB 2.241 40.191 38.000 -0.083 0.000 1.251 495 I HN -0.017 nan 8.210 nan 0.000 0.426 496 V N 4.419 124.218 119.914 -0.192 0.000 2.409 496 V HA 0.478 4.588 4.120 -0.017 0.000 0.291 496 V C 0.006 176.041 176.094 -0.098 0.000 1.020 496 V CA -0.377 61.796 62.300 -0.213 0.000 0.848 496 V CB 1.678 33.229 31.823 -0.453 0.000 0.990 496 V HN 0.818 nan 8.190 nan 0.000 0.430 497 T N 1.410 115.932 114.554 -0.053 0.000 2.924 497 T HA 0.452 4.792 4.350 -0.017 0.000 0.291 497 T C 0.161 174.804 174.700 -0.094 0.000 1.045 497 T CA -0.402 61.697 62.100 -0.002 0.000 1.015 497 T CB 1.765 70.679 68.868 0.078 0.000 1.103 497 T HN 0.845 nan 8.240 nan 0.000 0.496 498 D N 0.685 121.043 120.400 -0.070 0.000 2.395 498 D HA 0.175 4.805 4.640 -0.017 0.000 0.213 498 D C 0.369 176.808 176.300 0.232 0.000 1.110 498 D CA -0.200 53.680 54.000 -0.199 0.000 0.835 498 D CB 0.091 40.772 40.800 -0.198 0.000 0.965 498 D HN 0.254 nan 8.370 nan 0.000 0.505 499 S N 0.313 116.209 115.700 0.328 0.000 2.404 499 S HA 0.125 4.584 4.470 -0.017 0.000 0.309 499 S C 1.029 175.842 174.600 0.356 0.000 1.076 499 S CA -0.511 57.899 58.200 0.351 0.000 1.095 499 S CB 0.904 64.249 63.200 0.243 0.000 0.972 499 S HN 0.105 nan 8.310 nan 0.000 0.484 500 Q N 3.142 123.087 119.800 0.241 0.000 2.124 500 Q HA -0.167 4.163 4.340 -0.017 0.000 0.202 500 Q C 1.205 177.196 176.000 -0.016 0.000 0.977 500 Q CA 1.682 57.409 55.803 -0.126 0.000 0.850 500 Q CB -0.291 28.282 28.738 -0.276 0.000 0.901 500 Q HN 0.987 nan 8.270 nan 0.000 0.429 501 Y N 1.193 121.486 120.300 -0.011 0.000 2.070 501 Y HA -0.279 4.261 4.550 -0.017 0.000 0.280 501 Y C 2.253 178.153 175.900 0.001 0.000 1.148 501 Y CA 1.685 59.783 58.100 -0.003 0.000 1.125 501 Y CB -0.564 37.909 38.460 0.022 0.000 0.975 501 Y HN 0.055 nan 8.280 nan 0.000 0.492 502 A N 0.053 122.796 122.820 -0.129 0.000 1.969 502 A HA -0.133 4.177 4.320 -0.017 0.000 0.218 502 A C 2.206 179.694 177.584 -0.159 0.000 1.169 502 A CA 1.532 53.438 52.037 -0.220 0.000 0.635 502 A CB -1.184 17.820 19.000 0.006 0.000 0.810 502 A HN 0.605 nan 8.150 nan 0.000 0.445 503 L N 0.081 121.263 121.223 -0.068 0.000 1.994 503 L HA -0.020 4.310 4.340 -0.017 0.000 0.208 503 L C 2.434 179.242 176.870 -0.103 0.000 1.071 503 L CA 2.468 57.275 54.840 -0.055 0.000 0.745 503 L CB -1.092 40.940 42.059 -0.044 0.000 0.892 503 L HN 0.283 nan 8.230 nan 0.000 0.431 504 G N -0.250 108.464 108.800 -0.144 0.000 2.469 504 G HA2 -0.272 3.678 3.960 -0.017 0.000 0.220 504 G HA3 -0.272 3.678 3.960 -0.017 0.000 0.220 504 G C 1.615 176.451 174.900 -0.107 0.000 1.136 504 G CA 1.359 46.384 45.100 -0.125 0.000 0.759 504 G HN 0.500 nan 8.290 nan 0.000 0.562 505 I N 0.301 120.732 120.570 -0.232 0.000 2.163 505 I HA -0.103 4.057 4.170 -0.017 0.000 0.240 505 I C 2.670 178.717 176.117 -0.117 0.000 1.081 505 I CA 0.906 62.051 61.300 -0.259 0.000 1.353 505 I CB -0.189 37.493 38.000 -0.530 0.000 1.054 505 I HN 0.139 nan 8.210 nan 0.000 0.407 506 I N 0.079 120.592 120.570 -0.095 0.000 2.252 506 I HA -0.272 3.888 4.170 -0.017 0.000 0.245 506 I C 2.388 178.555 176.117 0.084 0.000 1.102 506 I CA 1.242 62.547 61.300 0.008 0.000 1.385 506 I CB -0.383 37.607 38.000 -0.018 0.000 1.064 506 I HN 0.277 nan 8.210 nan 0.000 0.414 507 Q N 0.494 120.322 119.800 0.046 0.000 2.439 507 Q HA -0.104 4.226 4.340 -0.017 0.000 0.211 507 Q C 1.938 178.024 176.000 0.144 0.000 0.978 507 Q CA 1.058 56.908 55.803 0.078 0.000 0.897 507 Q CB -0.042 28.717 28.738 0.035 0.000 0.956 507 Q HN 0.553 nan 8.270 nan 0.000 0.483 508 A N 0.148 123.067 122.820 0.165 0.000 2.251 508 A HA -0.015 4.294 4.320 -0.017 0.000 0.209 508 A C 0.010 177.726 177.584 0.221 0.000 1.187 508 A CA -0.147 52.044 52.037 0.257 0.000 0.823 508 A CB 0.126 19.297 19.000 0.285 0.000 0.846 508 A HN 0.365 nan 8.150 nan 0.000 0.486 509 Q N -0.402 119.510 119.800 0.186 0.000 2.420 509 Q HA -0.135 4.195 4.340 -0.017 0.000 0.367 509 Q C -2.474 173.613 176.000 0.145 0.000 1.369 509 Q CA 0.495 56.374 55.803 0.127 0.000 1.080 509 Q CB -1.339 27.354 28.738 -0.075 0.000 1.223 509 Q HN 0.571 nan 8.270 nan 0.000 0.315 510 P HA 0.141 nan 4.420 nan 0.000 0.293 510 P C -0.471 177.007 177.300 0.296 0.000 1.291 510 P CA -0.360 62.879 63.100 0.232 0.000 0.867 510 P CB 1.229 33.061 31.700 0.221 0.000 1.074 511 D N 0.973 121.514 120.400 0.235 0.000 2.433 511 D HA 0.107 4.737 4.640 -0.017 0.000 0.211 511 D C 0.095 176.458 176.300 0.106 0.000 1.114 511 D CA 0.081 54.222 54.000 0.235 0.000 0.837 511 D CB 0.118 41.104 40.800 0.310 0.000 0.984 511 D HN 0.423 nan 8.370 nan 0.000 0.505 512 K N -1.889 118.580 120.400 0.116 0.000 2.557 512 K HA 0.637 4.947 4.320 -0.017 0.000 0.261 512 K C -1.530 175.136 176.600 0.109 0.000 0.932 512 K CA -0.846 55.484 56.287 0.072 0.000 0.829 512 K CB 2.023 34.555 32.500 0.052 0.000 1.358 512 K HN -0.103 nan 8.250 nan 0.000 0.430 513 S N 0.512 116.265 115.700 0.089 0.000 2.579 513 S HA 0.234 4.694 4.470 -0.017 0.000 0.272 513 S C -0.246 174.391 174.600 0.061 0.000 1.141 513 S CA -0.653 57.627 58.200 0.132 0.000 0.843 513 S CB 1.880 65.233 63.200 0.256 0.000 1.122 513 S HN 0.749 nan 8.310 nan 0.000 0.468 514 E N 0.853 121.067 120.200 0.023 0.000 2.482 514 E HA 0.057 4.396 4.350 -0.017 0.000 0.196 514 E C 0.072 176.688 176.600 0.027 0.000 1.047 514 E CA 0.149 56.548 56.400 -0.002 0.000 0.869 514 E CB 0.325 29.999 29.700 -0.043 0.000 0.836 514 E HN 0.333 nan 8.360 nan 0.000 0.520 515 S N 1.417 117.166 115.700 0.081 0.000 2.475 515 S HA 0.012 4.471 4.470 -0.017 0.000 0.281 515 S C 1.208 175.825 174.600 0.029 0.000 1.198 515 S CA -0.726 57.523 58.200 0.081 0.000 1.063 515 S CB 0.900 64.196 63.200 0.160 0.000 0.972 515 S HN 0.164 nan 8.310 nan 0.000 0.486 516 E N 5.179 125.377 120.200 -0.005 0.000 2.077 516 E HA -0.183 4.157 4.350 -0.017 0.000 0.193 516 E C 1.824 178.368 176.600 -0.093 0.000 0.989 516 E CA 0.966 57.340 56.400 -0.043 0.000 0.800 516 E CB -0.745 28.929 29.700 -0.043 0.000 0.746 516 E HN 0.591 nan 8.360 nan 0.000 0.452 517 L N 1.368 122.532 121.223 -0.099 0.000 2.083 517 L HA -0.096 4.234 4.340 -0.017 0.000 0.209 517 L C 2.453 179.214 176.870 -0.181 0.000 1.083 517 L CA 1.258 55.986 54.840 -0.187 0.000 0.752 517 L CB -0.540 41.450 42.059 -0.115 0.000 0.899 517 L HN 0.002 nan 8.230 nan 0.000 0.433 518 V N 0.040 119.908 119.914 -0.077 0.000 2.427 518 V HA -0.223 3.886 4.120 -0.017 0.000 0.248 518 V C 2.383 178.439 176.094 -0.063 0.000 1.051 518 V CA 1.695 63.958 62.300 -0.063 0.000 1.048 518 V CB -0.873 30.949 31.823 -0.001 0.000 0.666 518 V HN 0.514 nan 8.190 nan 0.000 0.456 519 N N 0.031 118.699 118.700 -0.053 0.000 2.244 519 N HA -0.162 4.568 4.740 -0.017 0.000 0.183 519 N C 1.926 177.379 175.510 -0.094 0.000 1.016 519 N CA 1.221 54.237 53.050 -0.056 0.000 0.866 519 N CB -0.104 38.354 38.487 -0.047 0.000 0.980 519 N HN 0.624 nan 8.380 nan 0.000 0.430 520 Q N 0.474 120.179 119.800 -0.158 0.000 2.083 520 Q HA 0.013 4.343 4.340 -0.017 0.000 0.198 520 Q C 2.184 178.128 176.000 -0.094 0.000 0.969 520 Q CA 0.702 56.394 55.803 -0.185 0.000 0.838 520 Q CB 0.031 28.497 28.738 -0.454 0.000 0.900 520 Q HN 0.401 nan 8.270 nan 0.000 0.436 521 I N 0.883 121.376 120.570 -0.128 0.000 2.226 521 I HA -0.292 3.868 4.170 -0.017 0.000 0.245 521 I C 2.245 178.306 176.117 -0.093 0.000 1.100 521 I CA 1.176 62.467 61.300 -0.014 0.000 1.374 521 I CB -0.228 37.743 38.000 -0.048 0.000 1.057 521 I HN 0.204 nan 8.210 nan 0.000 0.413 522 I N 0.366 120.865 120.570 -0.119 0.000 2.226 522 I HA -0.282 3.878 4.170 -0.017 0.000 0.245 522 I C 2.543 178.565 176.117 -0.158 0.000 1.100 522 I CA 1.265 62.461 61.300 -0.173 0.000 1.374 522 I CB -0.364 37.608 38.000 -0.047 0.000 1.057 522 I HN 0.218 nan 8.210 nan 0.000 0.413 523 E N 0.775 120.922 120.200 -0.089 0.000 2.077 523 E HA -0.234 4.106 4.350 -0.017 0.000 0.193 523 E C 2.219 178.788 176.600 -0.052 0.000 0.989 523 E CA 1.352 57.713 56.400 -0.064 0.000 0.800 523 E CB -0.013 29.664 29.700 -0.039 0.000 0.746 523 E HN 0.303 nan 8.360 nan 0.000 0.452 524 Q N -0.141 119.637 119.800 -0.035 0.000 2.079 524 Q HA -0.081 4.249 4.340 -0.017 0.000 0.200 524 Q C 2.429 178.368 176.000 -0.101 0.000 0.974 524 Q CA 1.032 56.811 55.803 -0.039 0.000 0.840 524 Q CB -0.277 28.463 28.738 0.004 0.000 0.898 524 Q HN 0.390 nan 8.270 nan 0.000 0.430 525 L N 0.080 121.182 121.223 -0.202 0.000 2.127 525 L HA -0.190 4.139 4.340 -0.017 0.000 0.211 525 L C 2.335 179.101 176.870 -0.174 0.000 1.089 525 L CA 0.858 55.513 54.840 -0.308 0.000 0.757 525 L CB -0.395 41.198 42.059 -0.776 0.000 0.899 525 L HN 0.185 nan 8.230 nan 0.000 0.434 526 I N -0.338 120.172 120.570 -0.101 0.000 2.353 526 I HA -0.269 3.891 4.170 -0.017 0.000 0.248 526 I C 2.704 178.861 176.117 0.066 0.000 1.119 526 I CA 1.061 62.410 61.300 0.082 0.000 1.417 526 I CB -0.264 37.805 38.000 0.116 0.000 1.078 526 I HN 0.246 nan 8.210 nan 0.000 0.421 527 K N 1.462 121.871 120.400 0.014 0.000 2.057 527 K HA -0.128 4.182 4.320 -0.017 0.000 0.206 527 K C 0.671 177.279 176.600 0.013 0.000 1.050 527 K CA 0.930 57.225 56.287 0.014 0.000 0.935 527 K CB 0.186 32.681 32.500 -0.008 0.000 0.715 527 K HN 0.010 nan 8.250 nan 0.000 0.439 528 K N 1.556 121.954 120.400 -0.004 0.000 2.380 528 K HA -0.072 4.237 4.320 -0.017 0.000 0.267 528 K C 0.919 177.537 176.600 0.030 0.000 0.990 528 K CA 0.375 56.660 56.287 -0.003 0.000 0.946 528 K CB 1.033 33.517 32.500 -0.026 0.000 0.937 528 K HN 0.138 nan 8.250 nan 0.000 0.491 529 E N 1.563 121.779 120.200 0.027 0.000 2.057 529 E HA 0.022 4.362 4.350 -0.017 0.000 0.190 529 E C -0.416 176.213 176.600 0.049 0.000 0.969 529 E CA 1.331 57.754 56.400 0.039 0.000 0.812 529 E CB 0.433 30.150 29.700 0.028 0.000 0.777 529 E HN 0.345 nan 8.360 nan 0.000 0.455 530 K N -0.210 120.216 120.400 0.042 0.000 2.507 530 K HA 0.502 4.812 4.320 -0.017 0.000 0.251 530 K C -1.653 174.982 176.600 0.058 0.000 0.943 530 K CA -0.577 55.745 56.287 0.057 0.000 0.794 530 K CB 3.027 35.557 32.500 0.049 0.000 1.188 530 K HN -0.203 nan 8.250 nan 0.000 0.428 531 V N 3.424 123.387 119.914 0.082 0.000 2.525 531 V HA 0.296 4.406 4.120 -0.017 0.000 0.299 531 V C -1.448 174.726 176.094 0.133 0.000 1.034 531 V CA -0.904 61.439 62.300 0.071 0.000 0.863 531 V CB 1.335 33.172 31.823 0.023 0.000 0.999 531 V HN 0.726 nan 8.190 nan 0.000 0.423 532 Y N 5.966 126.268 120.300 0.005 0.000 2.328 532 Y HA 0.678 5.217 4.550 -0.017 0.000 0.336 532 Y C -0.846 175.055 175.900 0.002 0.000 0.960 532 Y CA -0.806 57.301 58.100 0.012 0.000 1.134 532 Y CB 1.377 39.842 38.460 0.007 0.000 1.166 532 Y HN 0.555 nan 8.280 nan 0.000 0.464 533 L N 6.783 127.684 121.223 -0.537 0.000 2.313 533 L HA 0.876 5.206 4.340 -0.017 0.000 0.283 533 L C -1.301 175.231 176.870 -0.562 0.000 1.013 533 L CA -0.199 54.401 54.840 -0.399 0.000 0.816 533 L CB 0.843 42.790 42.059 -0.185 0.000 1.236 533 L HN 0.865 nan 8.230 nan 0.000 0.419 534 A N 4.837 127.449 122.820 -0.346 0.000 2.469 534 A HA 0.668 4.978 4.320 -0.017 0.000 0.299 534 A C -2.115 175.474 177.584 0.008 0.000 1.098 534 A CA -0.587 51.334 52.037 -0.193 0.000 0.737 534 A CB 1.414 20.337 19.000 -0.128 0.000 1.312 534 A HN 0.818 nan 8.150 nan 0.000 0.414 535 W N 1.539 122.790 121.300 -0.081 0.000 2.666 535 W HA 0.614 5.264 4.660 -0.017 0.000 0.334 535 W C -1.051 175.466 176.519 -0.002 0.000 1.051 535 W CA -0.437 56.885 57.345 -0.038 0.000 1.224 535 W CB 1.964 31.401 29.460 -0.038 0.000 1.405 535 W HN 0.954 nan 8.180 nan 0.000 0.513 536 V N 3.603 122.778 119.914 -1.231 0.000 2.888 536 V HA 0.656 4.766 4.120 -0.017 0.000 0.309 536 V C -2.566 172.596 176.094 -1.554 0.000 1.114 536 V CA -2.804 58.834 62.300 -1.103 0.000 0.940 536 V CB 1.735 33.299 31.823 -0.432 0.000 1.021 536 V HN 0.540 nan 8.190 nan 0.000 0.426 537 P HA 0.187 nan 4.420 nan 0.000 0.262 537 P C 0.225 177.332 177.300 -0.322 0.000 1.199 537 P CA 0.719 63.488 63.100 -0.552 0.000 0.763 537 P CB 0.734 32.347 31.700 -0.144 0.000 0.790 538 A N 3.869 126.545 122.820 -0.241 0.000 2.483 538 A HA 0.046 4.356 4.320 -0.017 0.000 0.238 538 A C 0.368 177.834 177.584 -0.196 0.000 1.070 538 A CA -0.005 51.853 52.037 -0.299 0.000 0.770 538 A CB -1.082 17.691 19.000 -0.378 0.000 1.008 538 A HN 0.786 nan 8.150 nan 0.000 0.497 539 H N -0.249 118.807 119.070 -0.025 0.000 2.692 539 H HA -0.105 4.441 4.556 -0.017 0.000 0.316 539 H C -0.011 175.307 175.328 -0.017 0.000 1.176 539 H CA 0.844 56.884 56.048 -0.014 0.000 1.142 539 H CB -0.849 28.914 29.762 0.002 0.000 1.475 539 H HN 0.554 nan 8.280 nan 0.000 0.423 540 K N -0.066 120.359 120.400 0.041 0.000 2.536 540 K HA 0.235 4.545 4.320 -0.017 0.000 0.203 540 K C 1.391 177.991 176.600 0.000 0.000 1.063 540 K CA 0.554 56.851 56.287 0.017 0.000 1.063 540 K CB 1.278 33.771 32.500 -0.012 0.000 0.843 540 K HN 0.596 nan 8.250 nan 0.000 0.521 541 G N 1.870 110.671 108.800 0.002 0.000 2.155 541 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.257 541 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.257 541 G C 0.102 174.983 174.900 -0.033 0.000 0.983 541 G CA -0.039 45.053 45.100 -0.013 0.000 0.676 541 G HN 0.248 nan 8.290 nan 0.000 0.528 542 I N 2.303 122.847 120.570 -0.044 0.000 2.581 542 I HA 0.410 4.569 4.170 -0.017 0.000 0.285 542 I C 1.609 177.672 176.117 -0.090 0.000 1.129 542 I CA 0.574 61.844 61.300 -0.049 0.000 1.397 542 I CB 0.416 38.388 38.000 -0.046 0.000 1.399 542 I HN 0.249 nan 8.210 nan 0.000 0.537 543 G N 4.054 112.790 108.800 -0.105 0.000 2.484 543 G HA2 0.384 4.334 3.960 -0.017 0.000 0.235 543 G HA3 0.384 4.334 3.960 -0.017 0.000 0.235 543 G C 0.922 175.578 174.900 -0.407 0.000 1.282 543 G CA 0.203 45.193 45.100 -0.185 0.000 0.857 543 G HN 1.135 nan 8.290 nan 0.000 0.571 544 G N 2.011 110.458 108.800 -0.589 0.000 3.922 544 G HA2 -0.375 3.575 3.960 -0.017 0.000 0.208 544 G HA3 -0.375 3.575 3.960 -0.017 0.000 0.208 544 G C 1.472 175.987 174.900 -0.643 0.000 1.491 544 G CA 1.004 45.275 45.100 -1.382 0.000 1.017 544 G HN 0.976 nan 8.290 nan 0.000 0.603 545 N N 1.095 119.631 118.700 -0.274 0.000 2.166 545 N HA -0.025 4.705 4.740 -0.017 0.000 0.186 545 N C 1.965 177.444 175.510 -0.052 0.000 1.019 545 N CA 2.079 55.123 53.050 -0.010 0.000 0.856 545 N CB -0.095 38.397 38.487 0.008 0.000 0.993 545 N HN 0.459 nan 8.380 nan 0.000 0.426 546 E N 0.333 120.484 120.200 -0.082 0.000 2.072 546 E HA -0.134 4.206 4.350 -0.017 0.000 0.191 546 E C 1.970 178.548 176.600 -0.037 0.000 0.985 546 E CA 0.796 57.172 56.400 -0.040 0.000 0.801 546 E CB -0.287 29.389 29.700 -0.039 0.000 0.750 546 E HN 0.605 nan 8.360 nan 0.000 0.452 547 Q N 0.417 120.170 119.800 -0.077 0.000 2.084 547 Q HA -0.086 4.244 4.340 -0.017 0.000 0.202 547 Q C 2.363 178.348 176.000 -0.026 0.000 0.978 547 Q CA 1.042 56.809 55.803 -0.060 0.000 0.844 547 Q CB -0.981 27.700 28.738 -0.096 0.000 0.898 547 Q HN 0.189 nan 8.270 nan 0.000 0.426 548 V N 1.916 121.823 119.914 -0.011 0.000 2.591 548 V HA -0.202 3.908 4.120 -0.017 0.000 0.249 548 V C 1.884 177.998 176.094 0.034 0.000 1.053 548 V CA 2.157 64.477 62.300 0.033 0.000 1.068 548 V CB -0.347 31.535 31.823 0.099 0.000 0.689 548 V HN 0.333 nan 8.190 nan 0.000 0.462 549 D N -0.111 120.306 120.400 0.028 0.000 2.144 549 D HA -0.253 4.376 4.640 -0.017 0.000 0.199 549 D C 2.115 178.446 176.300 0.052 0.000 0.984 549 D CA 1.580 55.605 54.000 0.042 0.000 0.834 549 D CB -0.116 40.711 40.800 0.045 0.000 0.955 549 D HN 0.362 nan 8.370 nan 0.000 0.465 550 K N -0.401 120.020 120.400 0.035 0.000 2.217 550 K HA 0.093 4.402 4.320 -0.017 0.000 0.202 550 K C 2.069 178.678 176.600 0.015 0.000 1.051 550 K CA 0.355 56.657 56.287 0.025 0.000 0.952 550 K CB -0.177 32.330 32.500 0.011 0.000 0.736 550 K HN 0.194 nan 8.250 nan 0.000 0.453 551 L N 0.031 121.260 121.223 0.009 0.000 2.027 551 L HA -0.070 4.260 4.340 -0.017 0.000 0.206 551 L C 0.675 177.546 176.870 0.002 0.000 1.074 551 L CA 0.840 55.680 54.840 -0.001 0.000 0.745 551 L CB 0.022 42.076 42.059 -0.008 0.000 0.898 551 L HN -0.026 nan 8.230 nan 0.000 0.433 552 V N 0.000 119.923 119.914 0.015 0.000 2.409 552 V HA 0.000 4.110 4.120 -0.017 0.000 0.244 552 V CA 0.000 62.312 62.300 0.020 0.000 1.235 552 V CB 0.000 31.842 31.823 0.031 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556