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 2vu0_1_C DATA FIRST_RESID 2 DATA SEQUENCE TPSIVIASAA RTAVGSFNGA FANTPAHELG ATVISAVLER AGVAAGEVNE DATA SEQUENCE VILGQVLPAG EGQNPARQAA MKAGVPQEAT AWGMNQLXGS GLRAVALGMQ DATA SEQUENCE QIATGDASII VAGGMESMSM APHCAHLRGG VKMGDFKMID TMIKDGLTDA DATA SEQUENCE FYGYHMGTTA ENVAKQWQLS RDEQDAFAVA SQNKAEAAQK DGRFKDEIVP DATA SEQUENCE FIVKGRKGDI TVDADEYIRH GATLDSMAKL RPAFDKEGTV TAGNASGLND DATA SEQUENCE GAAAALLMSE AEASRRGIQP LGRIVSWATV GVDPKVMGTG PIPASRKALE DATA SEQUENCE RAGWKIGDLD LVEANEAFAA QACAVNKDLG WDPSIVNVNG GAIAIGHPIG DATA SEQUENCE ASGARILNTL LFEMKRRGAR KGLATLCIGG GMGVAMCIES L 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.712 174.700 0.019 0.000 1.109 2 T CA 0.000 62.111 62.100 0.018 0.000 1.349 2 T CB 0.000 68.878 68.868 0.017 0.000 0.612 3 P HA 0.153 nan 4.420 nan 0.000 0.212 3 P C 0.120 177.433 177.300 0.022 0.000 1.178 3 P CA 1.254 64.367 63.100 0.022 0.000 0.915 3 P CB -0.291 31.425 31.700 0.026 0.000 0.788 4 S N -1.143 114.572 115.700 0.024 0.000 3.232 4 S HA -0.087 4.384 4.470 0.001 0.000 0.706 4 S C -0.474 174.138 174.600 0.020 0.000 0.765 4 S CA -0.241 57.973 58.200 0.024 0.000 1.402 4 S CB -1.119 62.096 63.200 0.024 0.000 1.062 4 S HN 0.141 nan 8.310 nan 0.000 0.744 5 I N 5.977 126.559 120.570 0.020 0.000 2.474 5 I HA 0.619 4.790 4.170 0.001 0.000 0.294 5 I C 0.566 176.689 176.117 0.010 0.000 1.005 5 I CA -0.765 60.543 61.300 0.013 0.000 1.113 5 I CB 1.617 39.623 38.000 0.010 0.000 1.289 5 I HN 0.575 nan 8.210 nan 0.000 0.436 6 V N 4.086 124.003 119.914 0.004 0.000 2.769 6 V HA 0.625 4.745 4.120 0.001 0.000 0.312 6 V C -0.078 176.009 176.094 -0.011 0.000 1.058 6 V CA -0.808 61.492 62.300 -0.000 0.000 0.952 6 V CB 2.213 34.036 31.823 0.001 0.000 1.019 6 V HN 0.473 nan 8.190 nan 0.000 0.445 7 I N 3.656 124.213 120.570 -0.020 0.000 2.294 7 I HA 0.360 4.531 4.170 0.001 0.000 0.295 7 I C 1.536 177.630 176.117 -0.038 0.000 1.098 7 I CA 0.036 61.316 61.300 -0.034 0.000 1.277 7 I CB 1.174 39.144 38.000 -0.050 0.000 1.434 7 I HN 0.923 nan 8.210 nan 0.000 0.498 8 A N 5.066 127.872 122.820 -0.024 0.000 1.898 8 A HA -0.026 4.295 4.320 0.001 0.000 0.216 8 A C 1.047 178.619 177.584 -0.020 0.000 1.181 8 A CA 1.494 53.521 52.037 -0.017 0.000 0.620 8 A CB -0.091 18.906 19.000 -0.005 0.000 0.819 8 A HN 0.715 nan 8.150 nan 0.000 0.442 9 S N -3.871 111.820 115.700 -0.016 0.000 2.615 9 S HA 0.771 5.242 4.470 0.001 0.000 0.269 9 S C -0.730 173.883 174.600 0.021 0.000 1.161 9 S CA -0.171 58.035 58.200 0.009 0.000 0.817 9 S CB 1.199 64.426 63.200 0.046 0.000 1.131 9 S HN 1.788 nan 8.310 nan 0.000 0.467 10 A N -0.165 122.718 122.820 0.106 0.000 2.605 10 A HA 1.002 5.323 4.320 0.001 0.000 0.294 10 A C -0.921 176.845 177.584 0.304 0.000 1.062 10 A CA -0.376 51.752 52.037 0.152 0.000 0.682 10 A CB 0.783 19.826 19.000 0.072 0.000 1.278 10 A HN 2.438 nan 8.150 nan 0.000 0.410 11 A N 0.744 123.689 122.820 0.208 0.000 2.605 11 A HA 0.879 5.200 4.320 0.001 0.000 0.294 11 A C -0.779 176.859 177.584 0.090 0.000 1.062 11 A CA -0.181 51.946 52.037 0.149 0.000 0.682 11 A CB 1.228 20.283 19.000 0.091 0.000 1.278 11 A HN 2.005 nan 8.150 nan 0.000 0.410 12 R N -0.154 120.380 120.500 0.057 0.000 2.771 12 R HA 0.788 5.129 4.340 0.001 0.000 0.274 12 R C -0.032 176.281 176.300 0.021 0.000 0.987 12 R CA -0.006 56.112 56.100 0.031 0.000 0.908 12 R CB 1.276 31.598 30.300 0.035 0.000 1.213 12 R HN 0.966 nan 8.270 nan 0.000 0.468 13 T N -0.368 114.188 114.554 0.002 0.000 2.748 13 T HA 0.429 4.779 4.350 0.001 0.000 0.304 13 T C 0.848 175.588 174.700 0.067 0.000 1.041 13 T CA -0.237 61.880 62.100 0.028 0.000 1.033 13 T CB 0.680 69.486 68.868 -0.104 0.000 0.995 13 T HN 0.786 nan 8.240 nan 0.000 0.536 14 A N 1.019 123.926 122.820 0.144 0.000 2.492 14 A HA 0.474 4.795 4.320 0.001 0.000 0.236 14 A C 0.353 178.038 177.584 0.168 0.000 1.078 14 A CA -0.653 51.457 52.037 0.121 0.000 0.773 14 A CB -0.204 18.878 19.000 0.136 0.000 1.023 14 A HN 0.873 nan 8.150 nan 0.000 0.504 15 V N 1.835 121.784 119.914 0.058 0.000 2.432 15 V HA 0.503 4.623 4.120 0.001 0.000 0.275 15 V C 1.108 177.208 176.094 0.009 0.000 1.043 15 V CA 0.203 62.539 62.300 0.060 0.000 0.925 15 V CB 0.898 32.721 31.823 0.001 0.000 0.985 15 V HN 1.112 nan 8.190 nan 0.000 0.466 16 G N 3.240 112.037 108.800 -0.005 0.000 2.425 16 G HA2 0.478 4.438 3.960 0.001 0.000 0.302 16 G HA3 0.478 4.438 3.960 0.001 0.000 0.302 16 G C -0.135 174.708 174.900 -0.095 0.000 1.159 16 G CA -0.347 44.617 45.100 -0.226 0.000 0.865 16 G HN 0.641 nan 8.290 nan 0.000 0.515 17 S N -0.211 115.441 115.700 -0.080 0.000 2.601 17 S HA 0.310 4.780 4.470 0.001 0.000 0.271 17 S C -0.197 174.434 174.600 0.053 0.000 1.305 17 S CA -0.430 57.780 58.200 0.015 0.000 1.022 17 S CB 0.897 64.162 63.200 0.109 0.000 0.940 17 S HN 0.428 nan 8.310 nan 0.000 0.525 18 F N 3.622 123.521 119.950 -0.086 0.000 2.602 18 F HA 0.025 4.552 4.527 0.001 0.000 0.385 18 F C 1.101 176.889 175.800 -0.020 0.000 1.063 18 F CA -0.179 57.790 58.000 -0.052 0.000 1.233 18 F CB -0.556 38.420 39.000 -0.040 0.000 1.067 18 F HN 0.646 nan 8.300 nan 0.000 0.564 19 N N 2.674 121.105 118.700 -0.449 0.000 2.708 19 N HA -0.210 4.530 4.740 0.001 0.000 0.249 19 N C 0.413 175.821 175.510 -0.170 0.000 1.097 19 N CA 0.951 53.773 53.050 -0.379 0.000 0.710 19 N CB -1.355 36.820 38.487 -0.521 0.000 1.032 19 N HN 0.823 nan 8.380 nan 0.000 0.551 20 G N -0.270 108.460 108.800 -0.116 0.000 3.365 20 G HA2 0.562 4.522 3.960 0.001 0.000 0.185 20 G HA3 0.562 4.522 3.960 0.001 0.000 0.185 20 G C 1.169 175.984 174.900 -0.142 0.000 1.565 20 G CA 0.517 45.553 45.100 -0.106 0.000 0.984 20 G HN 0.288 nan 8.290 nan 0.000 0.604 21 A N -0.499 122.167 122.820 -0.258 0.000 1.917 21 A HA 0.054 4.374 4.320 0.001 0.000 0.219 21 A C 1.544 178.994 177.584 -0.223 0.000 1.182 21 A CA 1.619 53.442 52.037 -0.356 0.000 0.633 21 A CB -0.518 18.056 19.000 -0.710 0.000 0.819 21 A HN 0.366 nan 8.150 nan 0.000 0.448 22 F N -0.917 119.006 119.950 -0.045 0.000 2.750 22 F HA 0.520 5.047 4.527 0.001 0.000 0.297 22 F C 1.924 177.679 175.800 -0.075 0.000 1.138 22 F CA -0.845 57.107 58.000 -0.080 0.000 1.346 22 F CB -0.944 37.957 39.000 -0.165 0.000 0.965 22 F HN 0.218 nan 8.300 nan 0.000 0.514 23 A N 0.515 123.363 122.820 0.047 0.000 1.948 23 A HA -0.213 4.107 4.320 0.001 0.000 0.220 23 A C 1.861 179.442 177.584 -0.006 0.000 1.177 23 A CA 1.928 53.949 52.037 -0.027 0.000 0.636 23 A CB -0.368 18.587 19.000 -0.075 0.000 0.815 23 A HN 0.395 nan 8.150 nan 0.000 0.449 24 N N -0.754 117.965 118.700 0.030 0.000 2.235 24 N HA 0.069 4.810 4.740 0.001 0.000 0.231 24 N C -0.847 174.683 175.510 0.034 0.000 1.177 24 N CA 0.130 53.195 53.050 0.025 0.000 0.874 24 N CB 0.794 39.293 38.487 0.020 0.000 1.097 24 N HN 0.211 nan 8.380 nan 0.000 0.518 25 T N 2.812 117.388 114.554 0.036 0.000 2.733 25 T HA 0.316 4.666 4.350 0.001 0.000 0.294 25 T C -2.480 172.164 174.700 -0.095 0.000 0.956 25 T CA -1.260 60.827 62.100 -0.022 0.000 0.987 25 T CB 1.868 70.694 68.868 -0.070 0.000 0.920 25 T HN -0.043 nan 8.240 nan 0.000 0.470 26 P HA 0.113 nan 4.420 nan 0.000 0.265 26 P C 0.649 177.833 177.300 -0.193 0.000 1.187 26 P CA -0.120 62.911 63.100 -0.114 0.000 0.766 26 P CB 0.482 32.092 31.700 -0.150 0.000 0.820 27 A N 3.803 126.571 122.820 -0.086 0.000 1.917 27 A HA -0.260 4.060 4.320 0.001 0.000 0.219 27 A C 1.927 179.438 177.584 -0.122 0.000 1.182 27 A CA 1.988 53.962 52.037 -0.105 0.000 0.633 27 A CB -1.698 17.284 19.000 -0.031 0.000 0.819 27 A HN 0.804 nan 8.150 nan 0.000 0.448 28 H N -0.962 118.068 119.070 -0.068 0.000 2.491 28 H HA 0.023 4.579 4.556 0.001 0.000 0.290 28 H C 1.486 176.794 175.328 -0.034 0.000 1.050 28 H CA 1.299 57.317 56.048 -0.049 0.000 1.309 28 H CB -0.414 29.332 29.762 -0.027 0.000 1.392 28 H HN 0.653 nan 8.280 nan 0.000 0.554 29 E N 1.026 120.916 120.200 -0.517 0.000 2.072 29 E HA -0.051 4.299 4.350 0.001 0.000 0.191 29 E C 2.581 179.152 176.600 -0.048 0.000 0.985 29 E CA 0.854 57.117 56.400 -0.229 0.000 0.801 29 E CB 0.104 29.697 29.700 -0.178 0.000 0.750 29 E HN 0.416 nan 8.360 nan 0.000 0.452 30 L N 0.533 121.548 121.223 -0.348 0.000 2.046 30 L HA -0.132 4.209 4.340 0.001 0.000 0.208 30 L C 2.610 179.370 176.870 -0.182 0.000 1.077 30 L CA 1.255 55.801 54.840 -0.489 0.000 0.747 30 L CB -0.906 40.758 42.059 -0.659 0.000 0.896 30 L HN 0.223 nan 8.230 nan 0.000 0.432 31 G N -0.050 108.675 108.800 -0.126 0.000 2.514 31 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 31 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 31 G C 1.791 176.687 174.900 -0.007 0.000 1.198 31 G CA 1.032 46.101 45.100 -0.051 0.000 0.780 31 G HN 0.468 nan 8.290 nan 0.000 0.565 32 A N -0.004 122.830 122.820 0.023 0.000 1.892 32 A HA -0.097 4.223 4.320 0.001 0.000 0.218 32 A C 2.528 180.135 177.584 0.039 0.000 1.188 32 A CA 2.706 54.767 52.037 0.040 0.000 0.631 32 A CB -1.189 17.845 19.000 0.057 0.000 0.822 32 A HN 0.335 nan 8.150 nan 0.000 0.447 33 T N -0.461 114.137 114.554 0.074 0.000 2.684 33 T HA -0.145 4.205 4.350 0.001 0.000 0.267 33 T C 1.844 176.575 174.700 0.052 0.000 1.036 33 T CA 1.770 63.920 62.100 0.084 0.000 1.148 33 T CB -0.447 68.558 68.868 0.228 0.000 0.863 33 T HN 0.163 nan 8.240 nan 0.000 0.436 34 V N 0.969 120.903 119.914 0.034 0.000 2.515 34 V HA -0.075 4.046 4.120 0.001 0.000 0.250 34 V C 2.288 178.392 176.094 0.016 0.000 1.058 34 V CA 1.157 63.469 62.300 0.021 0.000 1.064 34 V CB -0.574 31.248 31.823 -0.001 0.000 0.675 34 V HN 0.479 nan 8.190 nan 0.000 0.461 35 I N -0.275 120.300 120.570 0.009 0.000 2.179 35 I HA -0.213 3.957 4.170 0.001 0.000 0.242 35 I C 2.604 178.728 176.117 0.011 0.000 1.088 35 I CA 1.556 62.859 61.300 0.004 0.000 1.357 35 I CB -0.428 37.572 38.000 -0.000 0.000 1.051 35 I HN 0.222 nan 8.210 nan 0.000 0.409 36 S N 0.714 116.423 115.700 0.015 0.000 2.374 36 S HA -0.239 4.231 4.470 0.001 0.000 0.227 36 S C 2.242 176.853 174.600 0.018 0.000 1.037 36 S CA 1.442 59.650 58.200 0.013 0.000 1.024 36 S CB -0.459 62.747 63.200 0.009 0.000 0.861 36 S HN 0.553 nan 8.310 nan 0.000 0.456 37 A N 1.561 124.396 122.820 0.024 0.000 1.851 37 A HA -0.128 4.192 4.320 0.001 0.000 0.216 37 A C 2.500 180.108 177.584 0.041 0.000 1.195 37 A CA 2.149 54.205 52.037 0.033 0.000 0.622 37 A CB -1.327 17.696 19.000 0.039 0.000 0.831 37 A HN 0.637 nan 8.150 nan 0.000 0.444 38 V N -2.257 117.682 119.914 0.042 0.000 2.490 38 V HA -0.184 3.936 4.120 0.001 0.000 0.250 38 V C 2.180 178.293 176.094 0.033 0.000 1.061 38 V CA 1.904 64.231 62.300 0.046 0.000 1.064 38 V CB -1.000 30.844 31.823 0.035 0.000 0.670 38 V HN 0.269 nan 8.190 nan 0.000 0.461 39 L N 0.876 122.113 121.223 0.023 0.000 1.970 39 L HA -0.136 4.204 4.340 0.001 0.000 0.212 39 L C 2.810 179.693 176.870 0.021 0.000 1.071 39 L CA 2.514 57.365 54.840 0.018 0.000 0.751 39 L CB -1.651 40.415 42.059 0.013 0.000 0.889 39 L HN 0.617 nan 8.230 nan 0.000 0.432 40 E N -0.215 119.999 120.200 0.022 0.000 2.085 40 E HA -0.246 4.105 4.350 0.001 0.000 0.194 40 E C 2.305 178.923 176.600 0.029 0.000 0.994 40 E CA 1.257 57.670 56.400 0.022 0.000 0.801 40 E CB 0.045 29.756 29.700 0.019 0.000 0.743 40 E HN 0.392 nan 8.360 nan 0.000 0.453 41 R N -0.312 120.213 120.500 0.041 0.000 2.120 41 R HA -0.064 4.277 4.340 0.001 0.000 0.234 41 R C 2.152 178.482 176.300 0.049 0.000 1.123 41 R CA 1.102 57.236 56.100 0.057 0.000 0.975 41 R CB -0.100 30.254 30.300 0.091 0.000 0.866 41 R HN 0.146 nan 8.270 nan 0.000 0.446 42 A N -0.220 122.623 122.820 0.037 0.000 2.195 42 A HA 0.246 4.567 4.320 0.001 0.000 0.210 42 A C 1.347 178.943 177.584 0.021 0.000 1.165 42 A CA 0.610 52.663 52.037 0.027 0.000 0.806 42 A CB 0.146 19.158 19.000 0.020 0.000 0.847 42 A HN 0.383 nan 8.150 nan 0.000 0.482 43 G N -0.841 107.972 108.800 0.021 0.000 2.198 43 G HA2 -0.145 3.815 3.960 0.001 0.000 0.257 43 G HA3 -0.145 3.815 3.960 0.001 0.000 0.257 43 G C -0.047 174.861 174.900 0.013 0.000 1.042 43 G CA 0.275 45.385 45.100 0.016 0.000 0.791 43 G HN 0.870 nan 8.290 nan 0.000 0.502 44 V N 0.017 119.939 119.914 0.013 0.000 2.581 44 V HA 0.844 4.965 4.120 0.001 0.000 0.303 44 V C 0.744 176.844 176.094 0.010 0.000 1.041 44 V CA -0.446 61.861 62.300 0.011 0.000 0.907 44 V CB 1.805 33.634 31.823 0.010 0.000 0.994 44 V HN 1.128 nan 8.190 nan 0.000 0.442 45 A N 2.939 125.764 122.820 0.008 0.000 2.327 45 A HA 0.696 5.016 4.320 0.001 0.000 0.283 45 A C 1.416 179.005 177.584 0.007 0.000 1.127 45 A CA 0.232 52.273 52.037 0.008 0.000 0.810 45 A CB 0.878 19.882 19.000 0.007 0.000 1.066 45 A HN 1.383 nan 8.150 nan 0.000 0.492 46 A N 2.265 125.089 122.820 0.007 0.000 1.986 46 A HA -0.019 4.301 4.320 0.001 0.000 0.220 46 A C 2.075 179.663 177.584 0.007 0.000 1.171 46 A CA 2.276 54.317 52.037 0.007 0.000 0.640 46 A CB -1.016 17.988 19.000 0.007 0.000 0.811 46 A HN 1.475 nan 8.150 nan 0.000 0.451 47 G N -0.835 107.969 108.800 0.007 0.000 2.559 47 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 47 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 47 G C 1.222 176.127 174.900 0.008 0.000 1.126 47 G CA 0.794 45.899 45.100 0.008 0.000 0.778 47 G HN 0.710 nan 8.290 nan 0.000 0.543 48 E N -0.377 119.828 120.200 0.008 0.000 2.478 48 E HA 0.104 4.454 4.350 0.001 0.000 0.194 48 E C 0.167 176.773 176.600 0.009 0.000 1.045 48 E CA -0.357 56.048 56.400 0.009 0.000 0.868 48 E CB 0.650 30.355 29.700 0.008 0.000 0.885 48 E HN 0.172 nan 8.360 nan 0.000 0.505 49 V N 2.647 122.566 119.914 0.009 0.000 2.479 49 V HA -0.040 4.080 4.120 0.001 0.000 0.281 49 V C 0.811 176.914 176.094 0.014 0.000 1.031 49 V CA 0.342 62.647 62.300 0.008 0.000 1.038 49 V CB 0.875 32.701 31.823 0.004 0.000 0.981 49 V HN 0.213 nan 8.190 nan 0.000 0.478 50 N N 3.339 122.049 118.700 0.017 0.000 2.207 50 N HA 0.014 4.754 4.740 0.001 0.000 0.182 50 N C 0.474 176.007 175.510 0.040 0.000 1.020 50 N CA 0.653 53.720 53.050 0.028 0.000 0.858 50 N CB 0.381 38.887 38.487 0.031 0.000 0.991 50 N HN 0.810 nan 8.380 nan 0.000 0.427 51 E N -0.233 119.989 120.200 0.036 0.000 2.363 51 E HA 0.330 4.681 4.350 0.001 0.000 0.281 51 E C -1.931 174.664 176.600 -0.008 0.000 0.953 51 E CA -0.500 55.932 56.400 0.052 0.000 0.778 51 E CB 1.878 31.654 29.700 0.126 0.000 1.220 51 E HN -0.263 nan 8.360 nan 0.000 0.431 52 V N 4.956 124.843 119.914 -0.046 0.000 2.459 52 V HA 0.514 4.635 4.120 0.001 0.000 0.295 52 V C -0.287 175.618 176.094 -0.316 0.000 1.029 52 V CA -0.493 61.728 62.300 -0.130 0.000 0.874 52 V CB 1.334 33.106 31.823 -0.085 0.000 0.985 52 V HN 0.528 nan 8.190 nan 0.000 0.438 53 I N 6.180 126.500 120.570 -0.416 0.000 2.439 53 I HA 0.514 4.684 4.170 0.001 0.000 0.285 53 I C -0.927 174.900 176.117 -0.482 0.000 1.021 53 I CA -0.344 60.504 61.300 -0.754 0.000 1.091 53 I CB 1.721 39.156 38.000 -0.943 0.000 1.242 53 I HN 0.318 nan 8.210 nan 0.000 0.439 54 L N 5.445 126.413 121.223 -0.425 0.000 2.404 54 L HA 0.559 4.899 4.340 0.001 0.000 0.272 54 L C 0.527 177.279 176.870 -0.198 0.000 0.980 54 L CA -0.632 54.062 54.840 -0.244 0.000 0.836 54 L CB 2.034 43.999 42.059 -0.157 0.000 1.238 54 L HN 0.702 nan 8.230 nan 0.000 0.408 55 G N 2.226 110.931 108.800 -0.158 0.000 2.398 55 G HA2 0.360 4.320 3.960 0.001 0.000 0.246 55 G HA3 0.360 4.320 3.960 0.001 0.000 0.246 55 G C -0.731 174.126 174.900 -0.072 0.000 1.289 55 G CA 0.085 45.126 45.100 -0.099 0.000 0.869 55 G HN 0.636 nan 8.290 nan 0.000 0.543 56 Q N 1.483 121.254 119.800 -0.048 0.000 2.313 56 Q HA 0.317 4.658 4.340 0.001 0.000 0.260 56 Q C -0.626 175.358 176.000 -0.026 0.000 0.972 56 Q CA -0.759 55.021 55.803 -0.039 0.000 0.886 56 Q CB 1.957 30.677 28.738 -0.029 0.000 1.373 56 Q HN 0.289 nan 8.270 nan 0.000 0.416 57 V N 3.908 123.801 119.914 -0.035 0.000 3.263 57 V HA 0.157 4.278 4.120 0.001 0.000 0.248 57 V C 0.497 176.575 176.094 -0.027 0.000 1.145 57 V CA 0.531 62.812 62.300 -0.031 0.000 1.107 57 V CB 0.416 32.210 31.823 -0.047 0.000 0.797 57 V HN 0.692 nan 8.190 nan 0.000 0.467 58 L N 2.460 123.668 121.223 -0.025 0.000 2.637 58 L HA 0.350 4.691 4.340 0.001 0.000 0.241 58 L C -2.120 174.749 176.870 -0.001 0.000 1.398 58 L CA -0.647 54.184 54.840 -0.016 0.000 0.895 58 L CB 1.329 43.377 42.059 -0.019 0.000 1.183 58 L HN 0.175 nan 8.230 nan 0.000 0.497 59 P HA 0.159 nan 4.420 nan 0.000 0.272 59 P C 0.457 177.767 177.300 0.017 0.000 1.408 59 P CA 0.010 63.117 63.100 0.012 0.000 0.996 59 P CB 0.642 32.347 31.700 0.009 0.000 1.481 60 A N 0.490 123.320 122.820 0.016 0.000 2.440 60 A HA 0.497 4.817 4.320 0.001 0.000 0.251 60 A C 1.569 179.171 177.584 0.030 0.000 1.089 60 A CA 0.654 52.704 52.037 0.021 0.000 0.779 60 A CB -0.895 18.117 19.000 0.020 0.000 1.022 60 A HN 0.332 nan 8.150 nan 0.000 0.492 61 G N 1.290 110.108 108.800 0.030 0.000 2.184 61 G HA2 -0.313 3.648 3.960 0.001 0.000 0.264 61 G HA3 -0.313 3.648 3.960 0.001 0.000 0.264 61 G C 0.767 175.688 174.900 0.035 0.000 0.975 61 G CA 0.914 46.035 45.100 0.034 0.000 0.642 61 G HN 0.891 nan 8.290 nan 0.000 0.536 62 E N 0.347 120.567 120.200 0.033 0.000 2.435 62 E HA 0.397 4.747 4.350 0.001 0.000 0.195 62 E C 1.467 178.065 176.600 -0.003 0.000 1.029 62 E CA 1.082 57.506 56.400 0.040 0.000 0.865 62 E CB -0.127 29.610 29.700 0.062 0.000 0.833 62 E HN 1.707 nan 8.360 nan 0.000 0.510 63 G N 0.662 109.458 108.800 -0.007 0.000 2.655 63 G HA2 -0.251 3.710 3.960 0.001 0.000 0.680 63 G HA3 -0.251 3.710 3.960 0.001 0.000 0.680 63 G C -0.948 173.932 174.900 -0.033 0.000 1.302 63 G CA -0.563 44.523 45.100 -0.024 0.000 0.872 63 G HN 0.231 nan 8.290 nan 0.000 0.540 64 Q N 0.350 120.131 119.800 -0.033 0.000 2.320 64 Q HA 0.148 4.489 4.340 0.001 0.000 0.311 64 Q C 1.021 176.999 176.000 -0.036 0.000 1.083 64 Q CA 0.910 56.698 55.803 -0.026 0.000 1.001 64 Q CB 0.105 28.831 28.738 -0.021 0.000 1.074 64 Q HN 0.945 nan 8.270 nan 0.000 0.379 65 N N 3.565 122.257 118.700 -0.013 0.000 2.637 65 N HA -0.169 4.572 4.740 0.001 0.000 0.287 65 N C -2.338 173.151 175.510 -0.035 0.000 1.130 65 N CA 0.035 53.084 53.050 -0.001 0.000 0.764 65 N CB -0.074 38.426 38.487 0.022 0.000 0.935 65 N HN 0.390 nan 8.380 nan 0.000 0.558 66 P HA -0.099 nan 4.420 nan 0.000 0.221 66 P C 1.100 178.379 177.300 -0.036 0.000 1.145 66 P CA 1.755 64.809 63.100 -0.077 0.000 0.795 66 P CB 0.012 31.702 31.700 -0.015 0.000 0.775 67 A N -0.003 122.803 122.820 -0.022 0.000 1.933 67 A HA -0.223 4.097 4.320 0.001 0.000 0.218 67 A C 2.391 179.962 177.584 -0.022 0.000 1.175 67 A CA 1.887 53.904 52.037 -0.033 0.000 0.628 67 A CB -0.983 17.981 19.000 -0.060 0.000 0.814 67 A HN 0.043 nan 8.150 nan 0.000 0.444 68 R N 0.006 120.497 120.500 -0.014 0.000 2.115 68 R HA -0.052 4.288 4.340 0.001 0.000 0.226 68 R C 2.134 178.416 176.300 -0.031 0.000 1.100 68 R CA 1.837 57.931 56.100 -0.010 0.000 0.980 68 R CB -0.544 29.758 30.300 0.003 0.000 0.875 68 R HN 0.682 nan 8.270 nan 0.000 0.445 69 Q N -0.564 119.185 119.800 -0.084 0.000 2.079 69 Q HA -0.043 4.297 4.340 0.001 0.000 0.200 69 Q C 2.088 178.100 176.000 0.019 0.000 0.974 69 Q CA 1.585 57.305 55.803 -0.139 0.000 0.840 69 Q CB -0.171 28.259 28.738 -0.513 0.000 0.898 69 Q HN 0.447 nan 8.270 nan 0.000 0.430 70 A N 1.279 124.140 122.820 0.068 0.000 1.898 70 A HA -0.076 4.245 4.320 0.001 0.000 0.216 70 A C 2.336 179.951 177.584 0.052 0.000 1.181 70 A CA 1.448 53.552 52.037 0.113 0.000 0.620 70 A CB -0.796 18.252 19.000 0.079 0.000 0.819 70 A HN 0.379 nan 8.150 nan 0.000 0.442 71 A N -0.539 122.293 122.820 0.019 0.000 1.865 71 A HA -0.178 4.143 4.320 0.001 0.000 0.217 71 A C 2.228 179.823 177.584 0.018 0.000 1.191 71 A CA 2.104 54.147 52.037 0.009 0.000 0.623 71 A CB -0.520 18.481 19.000 0.001 0.000 0.826 71 A HN 0.443 nan 8.150 nan 0.000 0.444 72 M N -0.896 118.715 119.600 0.018 0.000 2.175 72 M HA -0.087 4.393 4.480 0.001 0.000 0.264 72 M C 2.153 178.470 176.300 0.028 0.000 1.063 72 M CA 1.872 57.183 55.300 0.018 0.000 1.119 72 M CB -0.905 31.700 32.600 0.009 0.000 1.377 72 M HN 0.574 nan 8.290 nan 0.000 0.415 73 K N 0.726 121.156 120.400 0.050 0.000 2.097 73 K HA -0.044 4.276 4.320 0.001 0.000 0.205 73 K C 1.839 178.461 176.600 0.037 0.000 1.050 73 K CA 1.413 57.735 56.287 0.058 0.000 0.938 73 K CB -0.063 32.500 32.500 0.105 0.000 0.718 73 K HN 0.212 nan 8.250 nan 0.000 0.442 74 A N 0.024 122.864 122.820 0.034 0.000 2.121 74 A HA 0.092 4.412 4.320 0.001 0.000 0.218 74 A C 1.495 179.087 177.584 0.014 0.000 1.154 74 A CA 1.213 53.263 52.037 0.021 0.000 0.679 74 A CB -0.669 18.342 19.000 0.018 0.000 0.795 74 A HN 0.625 nan 8.150 nan 0.000 0.458 75 G N -2.085 106.724 108.800 0.014 0.000 2.144 75 G HA2 -0.163 3.797 3.960 0.001 0.000 0.218 75 G HA3 -0.163 3.797 3.960 0.001 0.000 0.218 75 G C 0.096 175.001 174.900 0.009 0.000 0.988 75 G CA -0.034 45.072 45.100 0.010 0.000 0.659 75 G HN 0.793 nan 8.290 nan 0.000 0.522 76 V N 3.130 123.050 119.914 0.010 0.000 2.529 76 V HA 0.314 4.434 4.120 0.001 0.000 0.292 76 V C -0.662 175.438 176.094 0.010 0.000 1.028 76 V CA -0.746 61.559 62.300 0.009 0.000 1.074 76 V CB 0.813 32.641 31.823 0.008 0.000 0.958 76 V HN 0.313 nan 8.190 nan 0.000 0.481 77 P HA 0.018 nan 4.420 nan 0.000 0.270 77 P C 0.658 177.965 177.300 0.012 0.000 1.223 77 P CA -0.248 62.858 63.100 0.010 0.000 0.785 77 P CB 0.490 32.196 31.700 0.010 0.000 0.923 78 Q N 0.544 120.350 119.800 0.010 0.000 2.297 78 Q HA -0.214 4.127 4.340 0.001 0.000 0.208 78 Q C 0.892 176.900 176.000 0.013 0.000 0.981 78 Q CA 1.647 57.457 55.803 0.011 0.000 0.876 78 Q CB -0.436 28.307 28.738 0.008 0.000 0.921 78 Q HN 0.344 nan 8.270 nan 0.000 0.446 79 E N 1.395 121.603 120.200 0.013 0.000 2.274 79 E HA 0.101 4.451 4.350 0.001 0.000 0.194 79 E C 0.582 177.194 176.600 0.019 0.000 0.996 79 E CA 0.809 57.218 56.400 0.014 0.000 0.840 79 E CB -0.053 29.654 29.700 0.012 0.000 0.772 79 E HN 0.539 nan 8.360 nan 0.000 0.491 80 A N 0.421 123.254 122.820 0.022 0.000 2.310 80 A HA 0.433 4.754 4.320 0.001 0.000 0.260 80 A C 0.675 178.284 177.584 0.041 0.000 1.112 80 A CA 0.196 52.250 52.037 0.029 0.000 0.804 80 A CB 0.133 19.147 19.000 0.025 0.000 1.081 80 A HN 0.212 nan 8.150 nan 0.000 0.499 81 T N -3.136 111.455 114.554 0.062 0.000 2.910 81 T HA 0.829 5.180 4.350 0.001 0.000 0.287 81 T C -0.522 174.251 174.700 0.121 0.000 1.050 81 T CA -0.148 62.008 62.100 0.094 0.000 1.011 81 T CB 1.743 70.680 68.868 0.115 0.000 1.195 81 T HN 2.195 nan 8.240 nan 0.000 0.540 82 A N 1.027 123.953 122.820 0.177 0.000 2.577 82 A HA 0.705 5.025 4.320 0.001 0.000 0.297 82 A C -1.712 176.040 177.584 0.280 0.000 1.060 82 A CA -1.084 51.040 52.037 0.145 0.000 0.697 82 A CB 1.173 20.198 19.000 0.041 0.000 1.281 82 A HN 1.199 nan 8.150 nan 0.000 0.402 83 W N 1.125 122.414 121.300 -0.020 0.000 3.074 83 W HA 0.755 5.415 4.660 0.001 0.000 0.332 83 W C -0.273 176.233 176.519 -0.022 0.000 1.253 83 W CA -0.849 56.484 57.345 -0.021 0.000 1.180 83 W CB 0.935 30.383 29.460 -0.021 0.000 1.445 83 W HN 1.275 nan 8.180 nan 0.000 0.573 84 G N 1.070 109.970 108.800 0.167 0.000 2.509 84 G HA2 0.841 4.801 3.960 0.001 0.000 0.328 84 G HA3 0.841 4.801 3.960 0.001 0.000 0.328 84 G C -1.184 173.818 174.900 0.169 0.000 1.194 84 G CA -0.997 44.123 45.100 0.033 0.000 0.967 84 G HN 0.653 nan 8.290 nan 0.000 0.488 85 M N -0.811 118.823 119.600 0.057 0.000 2.603 85 M HA 0.622 5.103 4.480 0.001 0.000 0.275 85 M C -1.664 174.662 176.300 0.043 0.000 1.226 85 M CA -1.202 54.167 55.300 0.115 0.000 0.870 85 M CB 2.162 34.873 32.600 0.184 0.000 1.716 85 M HN 0.355 nan 8.290 nan 0.000 0.482 86 N N 0.970 119.704 118.700 0.057 0.000 2.581 86 N HA 0.321 5.061 4.740 0.001 0.000 0.279 86 N C -1.785 173.752 175.510 0.045 0.000 1.124 86 N CA -0.076 52.995 53.050 0.034 0.000 0.833 86 N CB 1.597 40.100 38.487 0.027 0.000 1.338 86 N HN 0.931 nan 8.380 nan 0.000 0.533 87 Q N 5.014 124.839 119.800 0.042 0.000 2.302 87 Q HA 0.370 4.710 4.340 0.001 0.000 0.332 87 Q C -0.201 175.829 176.000 0.050 0.000 0.913 87 Q CA -0.376 55.460 55.803 0.056 0.000 1.098 87 Q CB -0.110 28.668 28.738 0.066 0.000 1.236 87 Q HN 0.735 nan 8.270 nan 0.000 0.436 91 S N 0.937 116.650 115.700 0.022 0.000 2.365 91 S HA -0.073 4.397 4.470 0.001 0.000 0.225 91 S C 2.431 177.008 174.600 -0.039 0.000 1.039 91 S CA 1.911 60.105 58.200 -0.010 0.000 1.033 91 S CB -0.468 62.721 63.200 -0.019 0.000 0.887 91 S HN 0.672 nan 8.310 nan 0.000 0.447 92 G N 0.762 109.544 108.800 -0.031 0.000 2.448 92 G HA2 -0.074 3.886 3.960 0.001 0.000 0.218 92 G HA3 -0.074 3.886 3.960 0.001 0.000 0.218 92 G C 1.357 176.229 174.900 -0.047 0.000 1.135 92 G CA 0.516 45.588 45.100 -0.047 0.000 0.784 92 G HN 0.385 nan 8.290 nan 0.000 0.543 93 L N 0.235 121.445 121.223 -0.022 0.000 2.127 93 L HA 0.313 4.653 4.340 0.001 0.000 0.203 93 L C 2.680 179.508 176.870 -0.069 0.000 1.080 93 L CA 1.335 56.161 54.840 -0.023 0.000 0.768 93 L CB -0.471 41.602 42.059 0.023 0.000 0.924 93 L HN 0.144 nan 8.230 nan 0.000 0.444 94 R N 0.377 120.840 120.500 -0.063 0.000 2.103 94 R HA -0.134 4.206 4.340 0.001 0.000 0.242 94 R C 2.124 178.308 176.300 -0.193 0.000 1.142 94 R CA 1.772 57.793 56.100 -0.132 0.000 0.960 94 R CB -0.912 29.352 30.300 -0.060 0.000 0.858 94 R HN 0.463 nan 8.270 nan 0.000 0.439 95 A N -0.417 122.306 122.820 -0.161 0.000 1.940 95 A HA -0.109 4.211 4.320 0.001 0.000 0.219 95 A C 2.313 179.768 177.584 -0.215 0.000 1.176 95 A CA 1.757 53.663 52.037 -0.218 0.000 0.631 95 A CB -0.621 18.233 19.000 -0.242 0.000 0.814 95 A HN 0.203 nan 8.150 nan 0.000 0.446 96 V N -0.340 119.467 119.914 -0.178 0.000 2.343 96 V HA -0.230 3.890 4.120 0.001 0.000 0.247 96 V C 3.017 178.987 176.094 -0.206 0.000 1.051 96 V CA 1.886 64.093 62.300 -0.156 0.000 1.036 96 V CB -1.137 30.623 31.823 -0.105 0.000 0.654 96 V HN 0.616 nan 8.190 nan 0.000 0.451 97 A N -0.355 122.273 122.820 -0.321 0.000 1.930 97 A HA -0.097 4.223 4.320 0.001 0.000 0.217 97 A C 2.186 179.484 177.584 -0.477 0.000 1.175 97 A CA 1.506 53.206 52.037 -0.561 0.000 0.627 97 A CB -0.455 17.853 19.000 -1.154 0.000 0.815 97 A HN 0.504 nan 8.150 nan 0.000 0.443 98 L N -0.701 120.316 121.223 -0.344 0.000 2.093 98 L HA -0.071 4.269 4.340 0.001 0.000 0.208 98 L C 2.807 179.647 176.870 -0.050 0.000 1.085 98 L CA 0.988 55.740 54.840 -0.147 0.000 0.755 98 L CB -0.677 41.381 42.059 -0.002 0.000 0.904 98 L HN 0.465 nan 8.230 nan 0.000 0.435 99 G N -0.343 108.401 108.800 -0.092 0.000 2.421 99 G HA2 -0.307 3.653 3.960 0.001 0.000 0.216 99 G HA3 -0.307 3.653 3.960 0.001 0.000 0.216 99 G C 1.606 176.483 174.900 -0.039 0.000 1.171 99 G CA 0.724 45.793 45.100 -0.052 0.000 0.775 99 G HN 0.179 nan 8.290 nan 0.000 0.543 100 M N 0.573 120.129 119.600 -0.073 0.000 2.108 100 M HA -0.177 4.303 4.480 0.001 0.000 0.257 100 M C 2.468 178.759 176.300 -0.015 0.000 1.071 100 M CA 1.909 57.182 55.300 -0.046 0.000 1.093 100 M CB -0.799 31.761 32.600 -0.067 0.000 1.345 100 M HN 0.365 nan 8.290 nan 0.000 0.403 101 Q N -0.426 119.359 119.800 -0.025 0.000 2.124 101 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 101 Q C 2.011 178.031 176.000 0.033 0.000 0.977 101 Q CA 1.470 57.285 55.803 0.020 0.000 0.850 101 Q CB -0.128 28.621 28.738 0.019 0.000 0.901 101 Q HN 0.600 nan 8.270 nan 0.000 0.429 102 Q N 0.245 120.067 119.800 0.038 0.000 2.124 102 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 102 Q C 2.026 178.047 176.000 0.035 0.000 0.977 102 Q CA 1.248 57.081 55.803 0.050 0.000 0.850 102 Q CB -0.199 28.585 28.738 0.078 0.000 0.901 102 Q HN 0.479 nan 8.270 nan 0.000 0.429 103 I N 0.518 121.104 120.570 0.026 0.000 2.277 103 I HA -0.154 4.016 4.170 0.001 0.000 0.243 103 I C 2.358 178.489 176.117 0.023 0.000 1.094 103 I CA 0.837 62.149 61.300 0.021 0.000 1.393 103 I CB -0.475 37.533 38.000 0.014 0.000 1.078 103 I HN 0.044 nan 8.210 nan 0.000 0.417 104 A N 0.757 123.593 122.820 0.026 0.000 1.948 104 A HA -0.241 4.079 4.320 0.001 0.000 0.220 104 A C 2.254 179.856 177.584 0.031 0.000 1.177 104 A CA 2.502 54.558 52.037 0.032 0.000 0.636 104 A CB -1.252 17.775 19.000 0.044 0.000 0.815 104 A HN 0.539 nan 8.150 nan 0.000 0.449 105 T N -4.101 110.471 114.554 0.031 0.000 3.144 105 T HA 0.412 4.762 4.350 0.001 0.000 0.249 105 T C 1.273 175.986 174.700 0.021 0.000 1.089 105 T CA 0.932 63.048 62.100 0.027 0.000 0.989 105 T CB -0.068 68.816 68.868 0.028 0.000 0.992 105 T HN 1.714 nan 8.240 nan 0.000 0.540 106 G N 1.789 110.602 108.800 0.021 0.000 2.160 106 G HA2 -0.230 3.731 3.960 0.001 0.000 0.251 106 G HA3 -0.230 3.731 3.960 0.001 0.000 0.251 106 G C 0.397 175.307 174.900 0.017 0.000 1.008 106 G CA 0.299 45.409 45.100 0.017 0.000 0.724 106 G HN 0.550 nan 8.290 nan 0.000 0.514 107 D N -0.130 120.283 120.400 0.020 0.000 2.366 107 D HA 0.441 5.081 4.640 0.001 0.000 0.205 107 D C 1.307 177.623 176.300 0.027 0.000 1.022 107 D CA 1.274 55.286 54.000 0.021 0.000 0.868 107 D CB 0.588 41.401 40.800 0.022 0.000 0.953 107 D HN 0.948 nan 8.370 nan 0.000 0.514 108 A N -0.647 122.190 122.820 0.028 0.000 2.572 108 A HA 0.540 4.861 4.320 0.001 0.000 0.295 108 A C 0.419 178.017 177.584 0.022 0.000 1.072 108 A CA -0.419 51.635 52.037 0.029 0.000 0.691 108 A CB 1.811 20.835 19.000 0.040 0.000 1.291 108 A HN -0.136 nan 8.150 nan 0.000 0.404 109 S N -0.131 115.580 115.700 0.018 0.000 2.506 109 S HA 0.402 4.873 4.470 0.001 0.000 0.230 109 S C 0.332 174.939 174.600 0.011 0.000 1.066 109 S CA 0.623 58.832 58.200 0.014 0.000 0.940 109 S CB -0.038 63.169 63.200 0.013 0.000 0.818 109 S HN 0.548 nan 8.310 nan 0.000 0.518 110 I N 2.128 122.705 120.570 0.011 0.000 2.512 110 I HA 0.404 4.574 4.170 0.001 0.000 0.287 110 I C -1.515 174.604 176.117 0.004 0.000 1.069 110 I CA -0.399 60.904 61.300 0.006 0.000 1.056 110 I CB 2.027 40.030 38.000 0.006 0.000 1.229 110 I HN 0.066 nan 8.210 nan 0.000 0.429 111 I N 6.655 127.222 120.570 -0.006 0.000 2.545 111 I HA 0.408 4.579 4.170 0.001 0.000 0.292 111 I C -0.294 175.802 176.117 -0.034 0.000 1.040 111 I CA -0.785 60.504 61.300 -0.018 0.000 1.068 111 I CB 2.359 40.346 38.000 -0.022 0.000 1.251 111 I HN 0.104 nan 8.210 nan 0.000 0.424 112 V N 5.112 124.998 119.914 -0.047 0.000 2.394 112 V HA 0.811 4.931 4.120 0.001 0.000 0.282 112 V C 0.247 176.279 176.094 -0.104 0.000 1.031 112 V CA -0.483 61.782 62.300 -0.059 0.000 0.881 112 V CB 1.357 33.154 31.823 -0.043 0.000 0.982 112 V HN 0.881 nan 8.190 nan 0.000 0.451 113 A N 3.353 126.110 122.820 -0.105 0.000 2.486 113 A HA 1.046 5.366 4.320 0.001 0.000 0.300 113 A C 0.079 177.593 177.584 -0.117 0.000 1.048 113 A CA 0.126 52.075 52.037 -0.148 0.000 0.696 113 A CB 2.101 21.007 19.000 -0.156 0.000 1.278 113 A HN 1.512 nan 8.150 nan 0.000 0.405 114 G N -0.400 108.318 108.800 -0.136 0.000 2.512 114 G HA2 0.654 4.615 3.960 0.001 0.000 0.181 114 G HA3 0.654 4.615 3.960 0.001 0.000 0.181 114 G C -0.218 174.618 174.900 -0.106 0.000 1.173 114 G CA 0.461 45.502 45.100 -0.098 0.000 0.988 114 G HN 2.022 nan 8.290 nan 0.000 0.485 115 G N -0.674 108.078 108.800 -0.080 0.000 2.684 115 G HA2 0.779 4.739 3.960 0.001 0.000 0.290 115 G HA3 0.779 4.739 3.960 0.001 0.000 0.290 115 G C -0.692 174.164 174.900 -0.073 0.000 1.425 115 G CA -0.019 45.033 45.100 -0.080 0.000 0.822 115 G HN 1.475 nan 8.290 nan 0.000 0.482 116 M N -0.374 119.181 119.600 -0.074 0.000 2.433 116 M HA 0.894 5.375 4.480 0.001 0.000 0.290 116 M C -1.684 174.572 176.300 -0.073 0.000 1.173 116 M CA -0.929 54.323 55.300 -0.080 0.000 0.905 116 M CB 2.849 35.402 32.600 -0.079 0.000 1.692 116 M HN 0.428 nan 8.290 nan 0.000 0.462 117 E N 1.011 121.162 120.200 -0.081 0.000 2.304 117 E HA 0.462 4.813 4.350 0.001 0.000 0.277 117 E C -1.856 174.711 176.600 -0.056 0.000 0.898 117 E CA -0.181 56.179 56.400 -0.066 0.000 0.764 117 E CB 2.511 32.164 29.700 -0.078 0.000 1.216 117 E HN 0.711 nan 8.360 nan 0.000 0.419 118 S N 5.156 120.837 115.700 -0.033 0.000 2.528 118 S HA 0.274 4.744 4.470 0.001 0.000 0.303 118 S C 0.800 175.425 174.600 0.042 0.000 1.123 118 S CA -0.378 57.823 58.200 0.002 0.000 1.138 118 S CB 0.160 63.354 63.200 -0.010 0.000 0.984 118 S HN 0.716 nan 8.310 nan 0.000 0.474 119 M N 2.354 121.998 119.600 0.074 0.000 2.229 119 M HA -0.058 4.423 4.480 0.001 0.000 0.264 119 M C 2.249 178.739 176.300 0.317 0.000 1.063 119 M CA 1.084 56.468 55.300 0.140 0.000 1.114 119 M CB -0.466 32.180 32.600 0.077 0.000 1.387 119 M HN 0.562 nan 8.290 nan 0.000 0.420 120 S N 0.563 116.420 115.700 0.262 0.000 2.365 120 S HA -0.101 4.369 4.470 0.001 0.000 0.225 120 S C 1.784 176.413 174.600 0.048 0.000 1.039 120 S CA 1.265 59.503 58.200 0.064 0.000 1.033 120 S CB -0.173 63.000 63.200 -0.045 0.000 0.887 120 S HN 0.433 nan 8.310 nan 0.000 0.447 121 M N 0.907 120.540 119.600 0.055 0.000 2.595 121 M HA 0.275 4.756 4.480 0.001 0.000 0.248 121 M C 0.823 177.160 176.300 0.062 0.000 1.119 121 M CA -0.142 55.184 55.300 0.045 0.000 1.079 121 M CB -1.429 31.190 32.600 0.031 0.000 1.472 121 M HN 0.182 nan 8.290 nan 0.000 0.501 122 A N 3.776 126.641 122.820 0.075 0.000 2.561 122 A HA 0.240 4.560 4.320 0.001 0.000 0.251 122 A C -1.882 175.748 177.584 0.077 0.000 1.062 122 A CA -0.664 51.410 52.037 0.062 0.000 0.761 122 A CB -0.916 18.114 19.000 0.051 0.000 0.986 122 A HN 0.182 nan 8.150 nan 0.000 0.510 123 P HA 0.321 nan 4.420 nan 0.000 0.277 123 P C -0.681 176.671 177.300 0.086 0.000 1.271 123 P CA -0.208 62.964 63.100 0.120 0.000 0.795 123 P CB 0.573 32.330 31.700 0.095 0.000 1.101 124 H N -1.374 117.728 119.070 0.054 0.000 2.472 124 H HA 0.502 5.058 4.556 0.001 0.000 0.335 124 H C 0.125 175.491 175.328 0.064 0.000 1.136 124 H CA -0.056 56.027 56.048 0.058 0.000 1.264 124 H CB 0.626 30.420 29.762 0.054 0.000 1.486 124 H HN 0.632 nan 8.280 nan 0.000 0.517 125 C N 0.892 120.291 119.300 0.166 0.000 3.090 125 C HA 0.988 5.449 4.460 0.001 0.000 0.305 125 C C -0.851 174.237 174.990 0.163 0.000 1.292 125 C CA -0.709 58.391 59.018 0.137 0.000 1.482 125 C CB 0.707 28.500 27.740 0.087 0.000 1.897 125 C HN 1.006 nan 8.230 nan 0.000 0.469 126 A N 0.821 123.739 122.820 0.164 0.000 2.488 126 A HA 0.650 4.970 4.320 0.001 0.000 0.298 126 A C -1.056 176.592 177.584 0.108 0.000 1.044 126 A CA -0.237 51.904 52.037 0.175 0.000 0.693 126 A CB 0.733 19.919 19.000 0.310 0.000 1.272 126 A HN 1.250 nan 8.150 nan 0.000 0.402 127 H N 3.208 122.270 119.070 -0.013 0.000 2.944 127 H HA 0.397 4.953 4.556 0.001 0.000 0.278 127 H C -0.587 174.665 175.328 -0.126 0.000 1.083 127 H CA 0.346 56.363 56.048 -0.052 0.000 1.479 127 H CB 0.483 30.222 29.762 -0.039 0.000 1.486 127 H HN 0.553 nan 8.280 nan 0.000 0.493 128 L N 5.272 126.235 121.223 -0.434 0.000 3.184 128 L HA 0.195 4.536 4.340 0.001 0.000 0.283 128 L C 2.098 178.738 176.870 -0.383 0.000 1.218 128 L CA -0.144 54.445 54.840 -0.418 0.000 1.028 128 L CB 0.301 42.193 42.059 -0.279 0.000 1.400 128 L HN 0.542 nan 8.230 nan 0.000 0.591 129 R N 0.628 120.822 120.500 -0.511 0.000 2.062 129 R HA -0.051 4.289 4.340 0.001 0.000 0.231 129 R C 2.325 178.487 176.300 -0.231 0.000 1.136 129 R CA 1.499 57.419 56.100 -0.300 0.000 0.948 129 R CB -0.593 29.576 30.300 -0.218 0.000 0.845 129 R HN 0.380 nan 8.270 nan 0.000 0.430 130 G N 0.595 109.234 108.800 -0.267 0.000 2.556 130 G HA2 -0.103 3.857 3.960 0.001 0.000 0.220 130 G HA3 -0.103 3.857 3.960 0.001 0.000 0.220 130 G C 0.645 175.461 174.900 -0.140 0.000 1.156 130 G CA 1.044 46.057 45.100 -0.146 0.000 0.766 130 G HN 0.702 nan 8.290 nan 0.000 0.583 131 G N -2.368 106.315 108.800 -0.195 0.000 2.719 131 G HA2 0.137 4.097 3.960 0.001 0.000 0.686 131 G HA3 0.137 4.097 3.960 0.001 0.000 0.686 131 G C -0.712 174.099 174.900 -0.148 0.000 1.201 131 G CA -0.432 44.569 45.100 -0.164 0.000 0.768 131 G HN 1.002 nan 8.290 nan 0.000 0.629 132 V N 4.013 123.843 119.914 -0.141 0.000 2.294 132 V HA 0.284 4.404 4.120 0.001 0.000 0.272 132 V C 1.436 177.516 176.094 -0.024 0.000 1.027 132 V CA -0.554 61.685 62.300 -0.102 0.000 0.823 132 V CB 1.179 32.915 31.823 -0.145 0.000 1.030 132 V HN 0.781 nan 8.190 nan 0.000 0.457 133 K N 3.891 124.280 120.400 -0.018 0.000 2.026 133 K HA 0.013 4.333 4.320 0.001 0.000 0.208 133 K C 0.541 177.152 176.600 0.017 0.000 1.048 133 K CA 1.630 57.916 56.287 -0.002 0.000 0.929 133 K CB 0.000 32.499 32.500 -0.002 0.000 0.713 133 K HN 0.824 nan 8.250 nan 0.000 0.439 134 M N -3.683 115.935 119.600 0.030 0.000 2.643 134 M HA 0.484 4.965 4.480 0.001 0.000 0.276 134 M C -0.901 175.437 176.300 0.064 0.000 1.200 134 M CA -0.192 55.135 55.300 0.044 0.000 0.863 134 M CB 2.298 34.916 32.600 0.031 0.000 1.711 134 M HN 0.198 nan 8.290 nan 0.000 0.492 135 G N 1.413 110.256 108.800 0.072 0.000 2.629 135 G HA2 0.018 3.978 3.960 0.001 0.000 0.686 135 G HA3 0.018 3.978 3.960 0.001 0.000 0.686 135 G C -1.658 173.315 174.900 0.122 0.000 1.232 135 G CA -0.513 44.635 45.100 0.080 0.000 0.803 135 G HN 0.988 nan 8.290 nan 0.000 0.638 136 D N -0.189 120.261 120.400 0.084 0.000 2.368 136 D HA 0.592 5.232 4.640 0.001 0.000 0.240 136 D C 0.664 177.064 176.300 0.167 0.000 1.169 136 D CA 1.051 55.082 54.000 0.052 0.000 0.906 136 D CB 0.574 41.370 40.800 -0.006 0.000 1.187 136 D HN 0.681 nan 8.370 nan 0.000 0.435 137 F N -2.231 117.730 119.950 0.020 0.000 2.650 137 F HA 0.570 5.097 4.527 0.000 0.000 0.320 137 F C -0.390 175.429 175.800 0.033 0.000 1.091 137 F CA -1.349 56.666 58.000 0.026 0.000 0.962 137 F CB 1.169 40.183 39.000 0.024 0.000 1.363 137 F HN -0.129 nan 8.300 nan 0.000 0.482 138 K N 1.999 122.526 120.400 0.211 0.000 2.172 138 K HA 0.443 4.764 4.320 0.001 0.000 0.276 138 K C -0.789 175.922 176.600 0.185 0.000 1.013 138 K CA -0.783 55.569 56.287 0.107 0.000 0.913 138 K CB 1.225 33.795 32.500 0.116 0.000 1.055 138 K HN 0.529 nan 8.250 nan 0.000 0.461 139 M N 4.368 124.023 119.600 0.092 0.000 2.063 139 M HA 0.275 4.755 4.480 0.001 0.000 0.348 139 M C -0.520 175.903 176.300 0.204 0.000 1.180 139 M CA -0.682 54.718 55.300 0.167 0.000 1.059 139 M CB 0.575 33.240 32.600 0.108 0.000 1.544 139 M HN 0.348 nan 8.290 nan 0.000 0.447 140 I N 2.781 123.449 120.570 0.164 0.000 2.342 140 I HA 0.138 4.309 4.170 0.001 0.000 0.291 140 I C 0.438 176.528 176.117 -0.044 0.000 1.010 140 I CA -0.648 60.701 61.300 0.082 0.000 1.308 140 I CB 0.751 38.786 38.000 0.058 0.000 1.400 140 I HN 0.487 nan 8.210 nan 0.000 0.488 141 D N 4.913 125.197 120.400 -0.192 0.000 2.342 141 D HA -0.002 4.639 4.640 0.001 0.000 0.260 141 D C 1.471 177.639 176.300 -0.220 0.000 1.278 141 D CA 0.090 53.789 54.000 -0.502 0.000 0.910 141 D CB 0.974 41.541 40.800 -0.389 0.000 1.079 141 D HN 0.710 nan 8.370 nan 0.000 0.496 142 T N 1.363 115.808 114.554 -0.181 0.000 2.881 142 T HA -0.229 4.122 4.350 0.001 0.000 0.270 142 T C 2.022 176.676 174.700 -0.077 0.000 1.068 142 T CA 0.831 62.879 62.100 -0.087 0.000 1.131 142 T CB -0.210 68.629 68.868 -0.047 0.000 0.871 142 T HN 0.487 nan 8.240 nan 0.000 0.479 143 M N 0.469 120.020 119.600 -0.082 0.000 2.065 143 M HA -0.069 4.411 4.480 0.001 0.000 0.259 143 M C 1.881 178.135 176.300 -0.077 0.000 1.069 143 M CA 1.924 57.187 55.300 -0.062 0.000 1.110 143 M CB -0.229 32.352 32.600 -0.032 0.000 1.328 143 M HN 0.184 nan 8.290 nan 0.000 0.405 144 I N 0.299 120.826 120.570 -0.071 0.000 2.233 144 I HA -0.207 3.964 4.170 0.001 0.000 0.243 144 I C 2.370 178.447 176.117 -0.067 0.000 1.093 144 I CA 1.339 62.606 61.300 -0.055 0.000 1.380 144 I CB -1.566 36.434 38.000 0.001 0.000 1.067 144 I HN 0.316 nan 8.210 nan 0.000 0.413 145 K N 1.598 121.962 120.400 -0.059 0.000 2.002 145 K HA -0.176 4.145 4.320 0.001 0.000 0.209 145 K C 1.410 177.967 176.600 -0.072 0.000 1.048 145 K CA 1.849 58.102 56.287 -0.056 0.000 0.930 145 K CB -0.163 32.309 32.500 -0.045 0.000 0.714 145 K HN 0.201 nan 8.250 nan 0.000 0.438 146 D N -1.742 118.617 120.400 -0.069 0.000 2.367 146 D HA 0.123 4.763 4.640 0.001 0.000 0.207 146 D C 1.373 177.632 176.300 -0.068 0.000 1.034 146 D CA 0.849 54.810 54.000 -0.065 0.000 0.861 146 D CB 0.733 41.504 40.800 -0.050 0.000 0.943 146 D HN 0.427 nan 8.370 nan 0.000 0.515 147 G N -0.045 108.707 108.800 -0.080 0.000 2.742 147 G HA2 0.103 4.063 3.960 0.001 0.000 0.204 147 G HA3 0.103 4.063 3.960 0.001 0.000 0.204 147 G C 1.307 176.144 174.900 -0.105 0.000 1.126 147 G CA -0.066 44.982 45.100 -0.087 0.000 0.829 147 G HN 0.173 nan 8.290 nan 0.000 0.574 148 L N 0.910 122.040 121.223 -0.155 0.000 2.817 148 L HA 0.295 4.635 4.340 0.001 0.000 0.248 148 L C 0.068 176.736 176.870 -0.336 0.000 1.133 148 L CA 0.175 54.837 54.840 -0.297 0.000 0.935 148 L CB 1.034 42.826 42.059 -0.445 0.000 1.266 148 L HN -0.046 nan 8.230 nan 0.000 0.535 149 T N -0.092 114.359 114.554 -0.172 0.000 2.758 149 T HA 0.176 4.527 4.350 0.001 0.000 0.285 149 T C -0.538 174.112 174.700 -0.083 0.000 0.981 149 T CA -0.415 61.628 62.100 -0.095 0.000 0.965 149 T CB 1.888 70.720 68.868 -0.060 0.000 0.927 149 T HN -0.041 nan 8.240 nan 0.000 0.448 150 D N 2.035 122.411 120.400 -0.041 0.000 2.425 150 D HA 0.336 4.976 4.640 0.001 0.000 0.247 150 D C 1.075 177.255 176.300 -0.200 0.000 1.147 150 D CA -0.200 53.765 54.000 -0.059 0.000 0.879 150 D CB 0.767 41.586 40.800 0.030 0.000 1.179 150 D HN 0.527 nan 8.370 nan 0.000 0.456 151 A N 3.158 125.725 122.820 -0.422 0.000 2.067 151 A HA -0.013 4.307 4.320 0.001 0.000 0.217 151 A C 1.355 178.523 177.584 -0.694 0.000 1.156 151 A CA 0.682 52.339 52.037 -0.633 0.000 0.683 151 A CB -0.402 18.077 19.000 -0.869 0.000 0.808 151 A HN 0.631 nan 8.150 nan 0.000 0.455 152 F N -3.064 116.796 119.950 -0.150 0.000 2.437 152 F HA 0.185 4.713 4.527 0.001 0.000 0.288 152 F C 1.560 177.029 175.800 -0.553 0.000 1.085 152 F CA 0.488 58.297 58.000 -0.319 0.000 1.430 152 F CB -0.261 38.545 39.000 -0.323 0.000 1.120 152 F HN 0.208 nan 8.300 nan 0.000 0.556 153 Y N -0.470 119.730 120.300 -0.168 0.000 2.467 153 Y HA 0.407 4.957 4.550 0.001 0.000 0.250 153 Y C 1.955 177.528 175.900 -0.545 0.000 1.155 153 Y CA 0.092 57.921 58.100 -0.452 0.000 1.249 153 Y CB 0.322 38.255 38.460 -0.879 0.000 1.146 153 Y HN 0.140 nan 8.280 nan 0.000 0.524 154 G N 0.181 108.834 108.800 -0.246 0.000 2.189 154 G HA2 -0.368 3.592 3.960 0.001 0.000 0.267 154 G HA3 -0.368 3.592 3.960 0.001 0.000 0.267 154 G C -0.033 174.864 174.900 -0.004 0.000 0.975 154 G CA 0.824 45.853 45.100 -0.119 0.000 0.644 154 G HN 0.450 nan 8.290 nan 0.000 0.537 155 Y N -0.921 119.444 120.300 0.108 0.000 2.596 155 Y HA 0.828 5.378 4.550 0.001 0.000 0.326 155 Y C 0.598 176.555 175.900 0.096 0.000 1.167 155 Y CA -2.776 55.389 58.100 0.108 0.000 1.246 155 Y CB 0.254 38.774 38.460 0.101 0.000 1.347 155 Y HN 0.247 nan 8.280 nan 0.000 0.515 156 H N 1.669 120.909 119.070 0.283 0.000 2.671 156 H HA 0.115 4.672 4.556 0.001 0.000 0.372 156 H C 1.062 176.403 175.328 0.021 0.000 1.227 156 H CA 0.022 56.146 56.048 0.126 0.000 1.426 156 H CB 1.142 30.984 29.762 0.134 0.000 1.480 156 H HN 0.793 nan 8.280 nan 0.000 0.611 157 M N 2.566 122.222 119.600 0.095 0.000 2.202 157 M HA -0.104 4.376 4.480 0.001 0.000 0.262 157 M C 2.270 178.369 176.300 -0.335 0.000 1.063 157 M CA 1.413 56.762 55.300 0.081 0.000 1.097 157 M CB -1.511 31.252 32.600 0.272 0.000 1.382 157 M HN 0.775 nan 8.290 nan 0.000 0.413 158 G N -0.731 107.716 108.800 -0.589 0.000 2.443 158 G HA2 -0.159 3.801 3.960 0.001 0.000 0.219 158 G HA3 -0.159 3.801 3.960 0.001 0.000 0.219 158 G C 1.547 175.763 174.900 -1.139 0.000 1.131 158 G CA 1.253 45.313 45.100 -1.734 0.000 0.775 158 G HN 0.413 nan 8.290 nan 0.000 0.547 159 T N 0.888 115.019 114.554 -0.705 0.000 2.904 159 T HA -0.119 4.232 4.350 0.001 0.000 0.267 159 T C 2.824 177.217 174.700 -0.511 0.000 1.059 159 T CA 1.901 63.668 62.100 -0.555 0.000 1.137 159 T CB -0.402 68.030 68.868 -0.727 0.000 0.879 159 T HN 0.579 nan 8.240 nan 0.000 0.467 160 T N 0.764 115.104 114.554 -0.356 0.000 2.867 160 T HA 0.064 4.414 4.350 0.001 0.000 0.268 160 T C 2.214 176.737 174.700 -0.296 0.000 1.057 160 T CA 1.061 63.032 62.100 -0.216 0.000 1.136 160 T CB -0.436 68.399 68.868 -0.056 0.000 0.874 160 T HN 0.296 nan 8.240 nan 0.000 0.466 161 A N 1.580 124.080 122.820 -0.532 0.000 1.930 161 A HA -0.013 4.308 4.320 0.001 0.000 0.217 161 A C 2.456 179.864 177.584 -0.293 0.000 1.175 161 A CA 1.190 52.927 52.037 -0.500 0.000 0.627 161 A CB -0.486 17.909 19.000 -1.009 0.000 0.815 161 A HN 0.455 nan 8.150 nan 0.000 0.443 162 E N 0.713 120.732 120.200 -0.303 0.000 2.077 162 E HA -0.174 4.176 4.350 0.001 0.000 0.193 162 E C 1.684 178.203 176.600 -0.135 0.000 0.989 162 E CA 1.174 57.467 56.400 -0.179 0.000 0.800 162 E CB -0.403 29.190 29.700 -0.179 0.000 0.746 162 E HN 0.577 nan 8.360 nan 0.000 0.452 163 N N 0.486 119.086 118.700 -0.167 0.000 2.084 163 N HA -0.126 4.614 4.740 0.001 0.000 0.190 163 N C 2.074 177.563 175.510 -0.035 0.000 1.030 163 N CA 0.984 53.969 53.050 -0.109 0.000 0.849 163 N CB -0.522 37.891 38.487 -0.125 0.000 1.012 163 N HN 0.017 nan 8.380 nan 0.000 0.423 164 V N 1.631 121.532 119.914 -0.022 0.000 2.358 164 V HA -0.169 3.952 4.120 0.001 0.000 0.246 164 V C 2.470 178.640 176.094 0.127 0.000 1.047 164 V CA 1.662 64.014 62.300 0.088 0.000 1.035 164 V CB -1.081 30.757 31.823 0.025 0.000 0.658 164 V HN 0.284 nan 8.190 nan 0.000 0.452 165 A N 0.143 122.979 122.820 0.026 0.000 1.873 165 A HA -0.305 4.016 4.320 0.001 0.000 0.218 165 A C 2.307 179.930 177.584 0.065 0.000 1.193 165 A CA 2.409 54.469 52.037 0.038 0.000 0.629 165 A CB -0.524 18.471 19.000 -0.008 0.000 0.826 165 A HN 0.558 nan 8.150 nan 0.000 0.447 166 K N -1.029 119.385 120.400 0.024 0.000 2.026 166 K HA -0.193 4.128 4.320 0.001 0.000 0.208 166 K C 2.441 179.048 176.600 0.011 0.000 1.048 166 K CA 1.539 57.831 56.287 0.008 0.000 0.929 166 K CB -0.253 32.234 32.500 -0.021 0.000 0.713 166 K HN 0.621 nan 8.250 nan 0.000 0.439 167 Q N -0.317 119.495 119.800 0.020 0.000 2.062 167 Q HA -0.203 4.137 4.340 0.001 0.000 0.209 167 Q C 1.384 177.304 176.000 -0.133 0.000 0.996 167 Q CA 1.898 57.671 55.803 -0.050 0.000 0.859 167 Q CB -0.089 28.657 28.738 0.015 0.000 0.920 167 Q HN 0.416 nan 8.270 nan 0.000 0.415 168 W N 0.437 121.709 121.300 -0.045 0.000 3.256 168 W HA 0.133 4.793 4.660 0.001 0.000 0.269 168 W C -0.030 176.468 176.519 -0.034 0.000 1.310 168 W CA 0.060 57.381 57.345 -0.041 0.000 1.673 168 W CB 0.344 29.776 29.460 -0.046 0.000 1.115 168 W HN 0.213 nan 8.180 nan 0.000 0.686 169 Q N 0.279 120.149 119.800 0.117 0.000 2.451 169 Q HA -0.219 4.121 4.340 0.001 0.000 0.305 169 Q C -0.432 175.621 176.000 0.088 0.000 1.345 169 Q CA 0.402 56.247 55.803 0.070 0.000 0.854 169 Q CB -2.231 26.528 28.738 0.035 0.000 1.162 169 Q HN 0.334 nan 8.270 nan 0.000 0.440 170 L N 1.371 122.652 121.223 0.097 0.000 2.278 170 L HA 0.244 4.585 4.340 0.001 0.000 0.287 170 L C 1.147 178.042 176.870 0.042 0.000 1.072 170 L CA -0.315 54.564 54.840 0.065 0.000 0.819 170 L CB 0.898 42.981 42.059 0.041 0.000 1.176 170 L HN 0.219 nan 8.230 nan 0.000 0.435 171 S N 2.276 118.000 115.700 0.040 0.000 2.600 171 S HA 0.140 4.611 4.470 0.001 0.000 0.265 171 S C 0.980 175.602 174.600 0.037 0.000 1.325 171 S CA -0.658 57.563 58.200 0.035 0.000 1.002 171 S CB 1.480 64.701 63.200 0.034 0.000 0.921 171 S HN 0.695 nan 8.310 nan 0.000 0.554 172 R N 0.956 121.476 120.500 0.035 0.000 2.091 172 R HA -0.118 4.223 4.340 0.001 0.000 0.238 172 R C 1.183 177.511 176.300 0.047 0.000 1.136 172 R CA 2.278 58.402 56.100 0.040 0.000 0.959 172 R CB -1.166 29.153 30.300 0.033 0.000 0.856 172 R HN 0.782 nan 8.270 nan 0.000 0.437 173 D N -0.010 120.415 120.400 0.042 0.000 2.117 173 D HA -0.175 4.465 4.640 0.001 0.000 0.197 173 D C 1.677 178.012 176.300 0.058 0.000 0.987 173 D CA 1.619 55.646 54.000 0.045 0.000 0.829 173 D CB -0.247 40.575 40.800 0.037 0.000 0.961 173 D HN 0.557 nan 8.370 nan 0.000 0.460 174 E N 0.390 120.625 120.200 0.058 0.000 2.072 174 E HA -0.183 4.167 4.350 0.001 0.000 0.191 174 E C 1.880 178.536 176.600 0.094 0.000 0.985 174 E CA 0.802 57.244 56.400 0.070 0.000 0.801 174 E CB 0.084 29.815 29.700 0.052 0.000 0.750 174 E HN 0.284 nan 8.360 nan 0.000 0.452 175 Q N 0.082 119.927 119.800 0.075 0.000 2.119 175 Q HA -0.154 4.186 4.340 0.001 0.000 0.201 175 Q C 1.658 177.747 176.000 0.148 0.000 0.972 175 Q CA 1.416 57.276 55.803 0.094 0.000 0.847 175 Q CB 0.090 28.870 28.738 0.069 0.000 0.903 175 Q HN 0.299 nan 8.270 nan 0.000 0.433 176 D N 0.391 120.857 120.400 0.111 0.000 2.123 176 D HA -0.068 4.573 4.640 0.001 0.000 0.200 176 D C 1.797 178.157 176.300 0.100 0.000 0.976 176 D CA 1.188 55.247 54.000 0.098 0.000 0.831 176 D CB -0.228 40.611 40.800 0.065 0.000 0.974 176 D HN 0.220 nan 8.370 nan 0.000 0.469 177 A N 0.243 123.124 122.820 0.101 0.000 1.948 177 A HA -0.210 4.111 4.320 0.001 0.000 0.220 177 A C 2.104 179.757 177.584 0.114 0.000 1.177 177 A CA 1.165 53.257 52.037 0.090 0.000 0.636 177 A CB -1.003 18.050 19.000 0.088 0.000 0.815 177 A HN 0.308 nan 8.150 nan 0.000 0.449 178 F N 0.400 120.363 119.950 0.021 0.000 2.206 178 F HA 0.111 4.638 4.527 0.001 0.000 0.298 178 F C 2.457 178.267 175.800 0.018 0.000 1.090 178 F CA 0.962 58.974 58.000 0.020 0.000 1.323 178 F CB -0.197 38.818 39.000 0.024 0.000 1.028 178 F HN 0.250 nan 8.300 nan 0.000 0.492 179 A N -0.143 122.781 122.820 0.173 0.000 1.873 179 A HA -0.120 4.200 4.320 0.001 0.000 0.215 179 A C 2.224 179.786 177.584 -0.036 0.000 1.186 179 A CA 1.968 54.049 52.037 0.072 0.000 0.616 179 A CB -1.323 17.745 19.000 0.113 0.000 0.823 179 A HN 0.231 nan 8.150 nan 0.000 0.442 180 V N -0.124 119.779 119.914 -0.019 0.000 2.427 180 V HA -0.203 3.918 4.120 0.001 0.000 0.248 180 V C 3.001 179.048 176.094 -0.078 0.000 1.051 180 V CA 1.772 64.049 62.300 -0.039 0.000 1.048 180 V CB -1.187 30.627 31.823 -0.015 0.000 0.666 180 V HN 0.608 nan 8.190 nan 0.000 0.456 181 A N -0.615 122.138 122.820 -0.111 0.000 1.930 181 A HA -0.216 4.105 4.320 0.001 0.000 0.217 181 A C 2.557 180.013 177.584 -0.213 0.000 1.175 181 A CA 2.109 54.052 52.037 -0.156 0.000 0.627 181 A CB -0.714 18.178 19.000 -0.179 0.000 0.815 181 A HN 0.473 nan 8.150 nan 0.000 0.443 182 S N -1.034 114.484 115.700 -0.303 0.000 2.368 182 S HA -0.185 4.285 4.470 0.001 0.000 0.225 182 S C 2.182 176.702 174.600 -0.133 0.000 1.030 182 S CA 1.505 59.546 58.200 -0.265 0.000 0.999 182 S CB -0.366 62.655 63.200 -0.298 0.000 0.844 182 S HN 0.579 nan 8.310 nan 0.000 0.459 183 Q N 1.129 120.863 119.800 -0.110 0.000 2.084 183 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 183 Q C 1.944 177.891 176.000 -0.087 0.000 0.978 183 Q CA 1.463 57.214 55.803 -0.087 0.000 0.844 183 Q CB -0.757 27.932 28.738 -0.082 0.000 0.898 183 Q HN 0.716 nan 8.270 nan 0.000 0.426 184 N N 0.288 118.934 118.700 -0.089 0.000 2.216 184 N HA -0.089 4.651 4.740 0.001 0.000 0.183 184 N C 1.737 177.200 175.510 -0.079 0.000 1.017 184 N CA 0.502 53.501 53.050 -0.084 0.000 0.861 184 N CB 0.077 38.520 38.487 -0.073 0.000 0.986 184 N HN 0.157 nan 8.380 nan 0.000 0.428 185 K N 0.894 121.248 120.400 -0.078 0.000 2.057 185 K HA -0.045 4.275 4.320 0.001 0.000 0.207 185 K C 2.114 178.702 176.600 -0.021 0.000 1.049 185 K CA 1.107 57.357 56.287 -0.062 0.000 0.931 185 K CB -0.057 32.399 32.500 -0.073 0.000 0.714 185 K HN 0.137 nan 8.250 nan 0.000 0.440 186 A N 1.302 124.131 122.820 0.015 0.000 1.897 186 A HA -0.171 4.149 4.320 0.001 0.000 0.215 186 A C 2.020 179.661 177.584 0.094 0.000 1.181 186 A CA 1.237 53.356 52.037 0.136 0.000 0.620 186 A CB -0.309 18.750 19.000 0.097 0.000 0.821 186 A HN 0.314 nan 8.150 nan 0.000 0.443 187 E N 0.017 120.182 120.200 -0.057 0.000 2.106 187 E HA -0.115 4.235 4.350 0.001 0.000 0.192 187 E C 2.138 178.659 176.600 -0.131 0.000 0.984 187 E CA 0.897 57.186 56.400 -0.186 0.000 0.806 187 E CB -0.172 29.334 29.700 -0.323 0.000 0.750 187 E HN 0.531 nan 8.360 nan 0.000 0.458 188 A N 1.423 124.184 122.820 -0.097 0.000 1.855 188 A HA -0.087 4.233 4.320 0.001 0.000 0.215 188 A C 2.432 179.944 177.584 -0.121 0.000 1.191 188 A CA 1.853 53.833 52.037 -0.095 0.000 0.613 188 A CB -0.838 18.111 19.000 -0.086 0.000 0.829 188 A HN 0.377 nan 8.150 nan 0.000 0.442 189 A N -0.807 121.916 122.820 -0.162 0.000 1.908 189 A HA -0.265 4.056 4.320 0.001 0.000 0.218 189 A C 2.225 179.580 177.584 -0.382 0.000 1.181 189 A CA 2.027 53.840 52.037 -0.373 0.000 0.627 189 A CB -0.706 17.906 19.000 -0.647 0.000 0.818 189 A HN 0.688 nan 8.150 nan 0.000 0.445 190 Q N -0.283 119.465 119.800 -0.087 0.000 2.030 190 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 190 Q C 2.045 178.063 176.000 0.031 0.000 0.986 190 Q CA 2.072 57.961 55.803 0.143 0.000 0.843 190 Q CB -0.167 28.718 28.738 0.246 0.000 0.904 190 Q HN 0.647 nan 8.270 nan 0.000 0.420 191 K N 0.035 120.429 120.400 -0.009 0.000 2.147 191 K HA -0.138 4.183 4.320 0.001 0.000 0.205 191 K C 1.307 177.887 176.600 -0.033 0.000 1.049 191 K CA 1.314 57.597 56.287 -0.007 0.000 0.936 191 K CB 0.032 32.520 32.500 -0.021 0.000 0.722 191 K HN 0.299 nan 8.250 nan 0.000 0.446 192 D N -0.537 119.818 120.400 -0.076 0.000 2.363 192 D HA 0.016 4.657 4.640 0.001 0.000 0.226 192 D C 0.962 177.205 176.300 -0.095 0.000 1.020 192 D CA 0.705 54.653 54.000 -0.087 0.000 0.892 192 D CB 0.350 41.083 40.800 -0.112 0.000 0.900 192 D HN 0.403 nan 8.370 nan 0.000 0.531 193 G N 1.156 109.900 108.800 -0.094 0.000 2.148 193 G HA2 -0.383 3.577 3.960 0.001 0.000 0.254 193 G HA3 -0.383 3.577 3.960 0.001 0.000 0.254 193 G C 1.166 175.987 174.900 -0.132 0.000 0.981 193 G CA 0.084 45.139 45.100 -0.076 0.000 0.670 193 G HN 0.344 nan 8.290 nan 0.000 0.528 194 R N -1.049 119.287 120.500 -0.273 0.000 2.280 194 R HA 0.152 4.493 4.340 0.001 0.000 0.207 194 R C 1.352 177.430 176.300 -0.371 0.000 1.043 194 R CA 0.942 56.834 56.100 -0.348 0.000 1.006 194 R CB -0.173 29.856 30.300 -0.451 0.000 0.885 194 R HN 0.450 nan 8.270 nan 0.000 0.467 195 F N 0.233 120.161 119.950 -0.037 0.000 2.727 195 F HA 0.175 4.702 4.527 0.001 0.000 0.302 195 F C 2.052 177.796 175.800 -0.093 0.000 1.097 195 F CA -0.167 57.801 58.000 -0.053 0.000 1.330 195 F CB -0.064 38.922 39.000 -0.024 0.000 1.084 195 F HN -0.163 nan 8.300 nan 0.000 0.578 196 K N 0.748 121.171 120.400 0.039 0.000 2.026 196 K HA -0.172 4.148 4.320 0.001 0.000 0.208 196 K C 1.484 178.018 176.600 -0.110 0.000 1.048 196 K CA 1.904 58.184 56.287 -0.012 0.000 0.929 196 K CB -0.087 32.402 32.500 -0.018 0.000 0.713 196 K HN 0.018 nan 8.250 nan 0.000 0.439 197 D N 0.823 121.111 120.400 -0.188 0.000 2.092 197 D HA -0.217 4.423 4.640 0.001 0.000 0.193 197 D C 1.886 177.735 176.300 -0.753 0.000 0.994 197 D CA 1.817 55.589 54.000 -0.379 0.000 0.828 197 D CB -0.219 40.377 40.800 -0.341 0.000 0.963 197 D HN 0.572 nan 8.370 nan 0.000 0.450 198 E N 0.444 120.130 120.200 -0.857 0.000 2.152 198 E HA -0.099 4.252 4.350 0.001 0.000 0.192 198 E C 0.848 177.288 176.600 -0.267 0.000 0.983 198 E CA 0.322 56.232 56.400 -0.816 0.000 0.818 198 E CB -0.108 29.409 29.700 -0.304 0.000 0.758 198 E HN 0.244 nan 8.360 nan 0.000 0.467 199 I N 2.662 123.151 120.570 -0.136 0.000 2.471 199 I HA 0.022 4.193 4.170 0.001 0.000 0.286 199 I C -0.199 175.902 176.117 -0.028 0.000 1.079 199 I CA -0.417 60.862 61.300 -0.034 0.000 1.398 199 I CB 1.550 39.562 38.000 0.021 0.000 1.403 199 I HN -0.007 nan 8.210 nan 0.000 0.530 200 V N 9.719 129.639 119.914 0.010 0.000 2.370 200 V HA 0.403 4.524 4.120 0.001 0.000 0.279 200 V C -2.109 174.029 176.094 0.073 0.000 1.029 200 V CA -2.037 60.281 62.300 0.030 0.000 0.870 200 V CB 1.471 33.314 31.823 0.034 0.000 0.984 200 V HN 0.528 nan 8.190 nan 0.000 0.451 201 P HA 0.111 nan 4.420 nan 0.000 0.266 201 P C -1.264 176.123 177.300 0.146 0.000 1.193 201 P CA 0.340 63.501 63.100 0.101 0.000 0.770 201 P CB 0.168 31.899 31.700 0.052 0.000 0.836 202 F N 3.426 123.411 119.950 0.059 0.000 2.482 202 F HA 0.442 4.969 4.527 0.001 0.000 0.331 202 F C -0.489 175.350 175.800 0.065 0.000 1.115 202 F CA -0.998 57.018 58.000 0.027 0.000 0.955 202 F CB 0.895 39.870 39.000 -0.042 0.000 1.136 202 F HN 0.081 nan 8.300 nan 0.000 0.452 203 I N 7.639 127.805 120.570 -0.674 0.000 2.291 203 I HA 0.169 4.340 4.170 0.001 0.000 0.292 203 I C -0.419 175.450 176.117 -0.415 0.000 1.064 203 I CA -0.594 60.471 61.300 -0.392 0.000 1.269 203 I CB 0.832 38.649 38.000 -0.304 0.000 1.418 203 I HN 0.244 nan 8.210 nan 0.000 0.485 204 V N 7.698 127.634 119.914 0.036 0.000 2.387 204 V HA 0.081 4.202 4.120 0.001 0.000 0.260 204 V C 0.905 177.030 176.094 0.052 0.000 1.054 204 V CA -0.701 61.711 62.300 0.186 0.000 0.967 204 V CB -0.169 31.841 31.823 0.312 0.000 1.036 204 V HN 0.570 nan 8.190 nan 0.000 0.481 205 K N 4.170 124.578 120.400 0.014 0.000 2.416 205 K HA 0.405 4.725 4.320 0.001 0.000 0.283 205 K C 0.510 177.122 176.600 0.019 0.000 1.037 205 K CA 0.136 56.419 56.287 -0.007 0.000 0.995 205 K CB 1.337 33.825 32.500 -0.020 0.000 0.938 205 K HN 0.816 nan 8.250 nan 0.000 0.475 206 G N 1.651 110.457 108.800 0.010 0.000 2.685 206 G HA2 0.268 4.228 3.960 0.001 0.000 0.298 206 G HA3 0.268 4.228 3.960 0.001 0.000 0.298 206 G C 0.676 175.579 174.900 0.006 0.000 1.277 206 G CA -0.651 44.458 45.100 0.014 0.000 0.986 206 G HN 0.477 nan 8.290 nan 0.000 0.487 207 R N 0.105 120.609 120.500 0.007 0.000 2.057 207 R HA 0.098 4.438 4.340 0.001 0.000 0.224 207 R C 0.883 177.183 176.300 0.001 0.000 1.136 207 R CA 0.696 56.798 56.100 0.003 0.000 0.968 207 R CB -0.392 29.911 30.300 0.004 0.000 0.863 207 R HN 0.411 nan 8.270 nan 0.000 0.433 208 K N 0.944 121.345 120.400 0.002 0.000 2.570 208 K HA 0.293 4.614 4.320 0.001 0.000 0.210 208 K C -0.375 176.225 176.600 -0.000 0.000 1.048 208 K CA 0.197 56.484 56.287 -0.000 0.000 1.167 208 K CB 0.976 33.475 32.500 -0.001 0.000 0.892 208 K HN 0.470 nan 8.250 nan 0.000 0.480 209 G N 1.136 109.936 108.800 0.000 0.000 2.326 209 G HA2 -0.077 3.884 3.960 0.001 0.000 0.299 209 G HA3 -0.077 3.884 3.960 0.001 0.000 0.299 209 G C -1.674 173.226 174.900 0.001 0.000 1.643 209 G CA -1.107 43.993 45.100 -0.001 0.000 0.916 209 G HN -0.004 nan 8.290 nan 0.000 0.700 210 D N 0.193 120.590 120.400 -0.005 0.000 2.372 210 D HA 0.542 5.183 4.640 0.001 0.000 0.243 210 D C 0.489 176.790 176.300 0.002 0.000 1.121 210 D CA 0.544 54.540 54.000 -0.008 0.000 0.898 210 D CB 1.516 42.300 40.800 -0.027 0.000 1.202 210 D HN 0.409 nan 8.370 nan 0.000 0.428 211 I N 0.995 121.575 120.570 0.017 0.000 2.478 211 I HA 0.104 4.275 4.170 0.001 0.000 0.287 211 I C -0.215 175.933 176.117 0.052 0.000 1.042 211 I CA -0.507 60.812 61.300 0.033 0.000 1.067 211 I CB 2.062 40.089 38.000 0.045 0.000 1.233 211 I HN 0.022 nan 8.210 nan 0.000 0.431 212 T N 5.707 120.285 114.554 0.041 0.000 2.728 212 T HA 0.383 4.733 4.350 0.001 0.000 0.296 212 T C -0.101 174.656 174.700 0.094 0.000 0.940 212 T CA -0.386 61.748 62.100 0.056 0.000 1.013 212 T CB 0.969 69.852 68.868 0.025 0.000 0.912 212 T HN 0.165 nan 8.240 nan 0.000 0.484 213 V N 4.658 124.679 119.914 0.179 0.000 2.370 213 V HA 0.397 4.517 4.120 0.001 0.000 0.283 213 V C 0.186 176.395 176.094 0.191 0.000 1.023 213 V CA -0.724 61.684 62.300 0.181 0.000 0.857 213 V CB 1.319 33.295 31.823 0.255 0.000 0.985 213 V HN 1.019 nan 8.190 nan 0.000 0.443 214 D N 2.597 123.066 120.400 0.115 0.000 2.602 214 D HA 0.371 5.012 4.640 0.001 0.000 0.265 214 D C -0.085 176.261 176.300 0.078 0.000 1.454 214 D CA 0.108 54.168 54.000 0.101 0.000 0.795 214 D CB 0.807 41.652 40.800 0.074 0.000 1.140 214 D HN 0.573 nan 8.370 nan 0.000 0.486 215 A N 0.244 123.102 122.820 0.063 0.000 2.374 215 A HA 0.478 4.798 4.320 0.001 0.000 0.305 215 A C -0.827 176.771 177.584 0.023 0.000 1.053 215 A CA -0.756 51.315 52.037 0.055 0.000 0.726 215 A CB 1.199 20.233 19.000 0.057 0.000 1.229 215 A HN -0.011 nan 8.150 nan 0.000 0.431 216 D N 2.490 122.893 120.400 0.004 0.000 2.389 216 D HA 0.044 4.684 4.640 0.001 0.000 0.263 216 D C 1.100 177.412 176.300 0.021 0.000 1.255 216 D CA 0.601 54.583 54.000 -0.029 0.000 0.914 216 D CB 0.910 41.627 40.800 -0.137 0.000 1.116 216 D HN 0.773 nan 8.370 nan 0.000 0.502 217 E N 1.856 122.062 120.200 0.010 0.000 2.474 217 E HA -0.146 4.205 4.350 0.001 0.000 0.194 217 E C 1.125 177.785 176.600 0.100 0.000 1.041 217 E CA 0.104 56.519 56.400 0.024 0.000 0.874 217 E CB -0.011 29.662 29.700 -0.045 0.000 0.914 217 E HN 0.460 nan 8.360 nan 0.000 0.498 218 Y N 1.758 122.045 120.300 -0.021 0.000 2.503 218 Y HA 0.266 4.817 4.550 0.001 0.000 0.278 218 Y C 0.574 176.487 175.900 0.022 0.000 1.111 218 Y CA -0.685 57.414 58.100 -0.001 0.000 1.270 218 Y CB 0.371 38.828 38.460 -0.005 0.000 1.063 218 Y HN -0.113 nan 8.280 nan 0.000 0.548 219 I N 4.444 125.017 120.570 0.005 0.000 2.683 219 I HA -0.042 4.129 4.170 0.001 0.000 0.286 219 I C 0.038 176.161 176.117 0.009 0.000 1.175 219 I CA 0.440 61.719 61.300 -0.037 0.000 1.429 219 I CB 0.295 38.311 38.000 0.025 0.000 1.371 219 I HN 0.114 nan 8.210 nan 0.000 0.569 220 R N 5.109 125.573 120.500 -0.059 0.000 2.255 220 R HA 0.445 4.785 4.340 0.001 0.000 0.326 220 R C -0.914 175.433 176.300 0.078 0.000 0.986 220 R CA -0.957 55.154 56.100 0.019 0.000 0.847 220 R CB 0.546 30.803 30.300 -0.073 0.000 1.111 220 R HN 0.458 nan 8.270 nan 0.000 0.452 221 H N 1.310 120.350 119.070 -0.050 0.000 2.767 221 H HA 0.223 4.780 4.556 0.001 0.000 0.316 221 H C 1.281 176.590 175.328 -0.031 0.000 1.059 221 H CA 0.935 56.965 56.048 -0.031 0.000 1.461 221 H CB 1.106 30.855 29.762 -0.021 0.000 1.475 221 H HN 1.006 nan 8.280 nan 0.000 0.531 222 G N 1.895 110.717 108.800 0.036 0.000 2.182 222 G HA2 -0.167 3.794 3.960 0.001 0.000 0.248 222 G HA3 -0.167 3.794 3.960 0.001 0.000 0.248 222 G C 0.358 175.257 174.900 -0.000 0.000 1.042 222 G CA -0.087 45.023 45.100 0.016 0.000 0.775 222 G HN 0.918 nan 8.290 nan 0.000 0.501 223 A N 0.468 123.278 122.820 -0.017 0.000 2.524 223 A HA 0.660 4.980 4.320 0.001 0.000 0.250 223 A C 1.009 178.582 177.584 -0.019 0.000 1.078 223 A CA 1.298 53.321 52.037 -0.023 0.000 0.761 223 A CB 0.170 19.146 19.000 -0.040 0.000 1.012 223 A HN 1.921 nan 8.150 nan 0.000 0.500 224 T N 0.388 114.935 114.554 -0.011 0.000 2.942 224 T HA 0.470 4.820 4.350 0.001 0.000 0.289 224 T C 0.778 175.477 174.700 -0.002 0.000 1.044 224 T CA -0.635 61.461 62.100 -0.006 0.000 1.023 224 T CB 0.984 69.850 68.868 -0.003 0.000 1.123 224 T HN 0.475 nan 8.240 nan 0.000 0.512 225 L N 0.694 121.918 121.223 0.002 0.000 2.109 225 L HA 0.088 4.428 4.340 0.001 0.000 0.207 225 L C 1.969 178.845 176.870 0.010 0.000 1.086 225 L CA 1.801 56.646 54.840 0.009 0.000 0.760 225 L CB -1.079 40.986 42.059 0.011 0.000 0.910 225 L HN 0.763 nan 8.230 nan 0.000 0.437 226 D N -0.806 119.598 120.400 0.007 0.000 2.117 226 D HA -0.164 4.476 4.640 0.001 0.000 0.197 226 D C 2.238 178.542 176.300 0.006 0.000 0.987 226 D CA 1.701 55.705 54.000 0.007 0.000 0.829 226 D CB 0.049 40.852 40.800 0.005 0.000 0.961 226 D HN 0.544 nan 8.370 nan 0.000 0.460 227 S N 0.415 116.118 115.700 0.004 0.000 2.383 227 S HA -0.169 4.302 4.470 0.001 0.000 0.227 227 S C 2.021 176.625 174.600 0.006 0.000 1.026 227 S CA 0.702 58.904 58.200 0.003 0.000 0.981 227 S CB -0.247 62.952 63.200 -0.001 0.000 0.818 227 S HN 0.022 nan 8.310 nan 0.000 0.472 228 M N 2.733 122.338 119.600 0.009 0.000 2.108 228 M HA 0.141 4.621 4.480 0.001 0.000 0.261 228 M C 2.185 178.498 176.300 0.021 0.000 1.066 228 M CA 1.553 56.864 55.300 0.017 0.000 1.107 228 M CB -0.995 31.619 32.600 0.023 0.000 1.356 228 M HN 0.459 nan 8.290 nan 0.000 0.406 229 A N -1.053 121.777 122.820 0.018 0.000 2.167 229 A HA -0.089 4.231 4.320 0.001 0.000 0.214 229 A C 1.988 179.580 177.584 0.013 0.000 1.151 229 A CA 1.119 53.166 52.037 0.018 0.000 0.735 229 A CB -0.613 18.397 19.000 0.017 0.000 0.802 229 A HN 0.580 nan 8.150 nan 0.000 0.467 230 K N -0.299 120.106 120.400 0.009 0.000 2.296 230 K HA 0.166 4.486 4.320 0.001 0.000 0.200 230 K C 0.095 176.697 176.600 0.003 0.000 1.048 230 K CA 0.035 56.326 56.287 0.005 0.000 0.966 230 K CB -0.196 32.306 32.500 0.003 0.000 0.754 230 K HN 0.433 nan 8.250 nan 0.000 0.466 231 L N 1.674 122.900 121.223 0.005 0.000 2.467 231 L HA 0.081 4.422 4.340 0.001 0.000 0.270 231 L C 0.474 177.340 176.870 -0.005 0.000 1.205 231 L CA -0.168 54.672 54.840 -0.000 0.000 0.828 231 L CB 0.169 42.232 42.059 0.006 0.000 1.101 231 L HN 0.032 nan 8.230 nan 0.000 0.479 232 R N 1.431 121.920 120.500 -0.019 0.000 2.457 232 R HA 0.347 4.688 4.340 0.001 0.000 0.284 232 R C -2.301 173.973 176.300 -0.043 0.000 1.024 232 R CA -1.611 54.473 56.100 -0.027 0.000 1.025 232 R CB 0.726 31.006 30.300 -0.034 0.000 1.063 232 R HN 0.338 nan 8.270 nan 0.000 0.493 233 P HA -0.039 nan 4.420 nan 0.000 0.265 233 P C -0.554 176.665 177.300 -0.136 0.000 1.193 233 P CA 0.364 63.437 63.100 -0.045 0.000 0.765 233 P CB 0.965 32.656 31.700 -0.014 0.000 0.823 234 A N 1.813 124.474 122.820 -0.266 0.000 2.095 234 A HA 0.130 4.451 4.320 0.001 0.000 0.212 234 A C 0.904 177.923 177.584 -0.941 0.000 1.162 234 A CA 0.847 52.489 52.037 -0.659 0.000 0.753 234 A CB -0.612 17.821 19.000 -0.944 0.000 0.840 234 A HN 0.522 nan 8.150 nan 0.000 0.468 235 F N -1.141 118.763 119.950 -0.077 0.000 2.784 235 F HA 0.291 4.818 4.527 0.001 0.000 0.316 235 F C 0.097 175.852 175.800 -0.076 0.000 1.026 235 F CA -0.489 57.455 58.000 -0.094 0.000 1.188 235 F CB 0.651 39.567 39.000 -0.140 0.000 0.999 235 F HN 0.086 nan 8.300 nan 0.000 0.605 236 D N -0.131 120.315 120.400 0.077 0.000 2.757 236 D HA 0.291 4.931 4.640 0.001 0.000 0.249 236 D C 0.446 176.748 176.300 0.004 0.000 1.168 236 D CA -0.356 53.661 54.000 0.027 0.000 0.870 236 D CB 1.906 42.714 40.800 0.012 0.000 1.411 236 D HN -0.284 nan 8.370 nan 0.000 0.525 237 K N 1.362 121.760 120.400 -0.003 0.000 2.211 237 K HA -0.010 4.310 4.320 0.001 0.000 0.203 237 K C 0.619 177.216 176.600 -0.005 0.000 1.050 237 K CA 1.007 57.289 56.287 -0.008 0.000 0.945 237 K CB 0.094 32.590 32.500 -0.005 0.000 0.732 237 K HN 0.582 nan 8.250 nan 0.000 0.451 238 E N -0.539 119.660 120.200 -0.002 0.000 2.609 238 E HA 0.265 4.616 4.350 0.001 0.000 0.208 238 E C 0.439 177.039 176.600 0.001 0.000 1.013 238 E CA -0.426 55.973 56.400 -0.001 0.000 1.093 238 E CB 0.614 30.313 29.700 -0.001 0.000 1.129 238 E HN 0.089 nan 8.360 nan 0.000 0.450 239 G N 0.070 108.873 108.800 0.005 0.000 2.531 239 G HA2 0.204 4.164 3.960 0.001 0.000 0.313 239 G HA3 0.204 4.164 3.960 0.001 0.000 0.313 239 G C 0.273 175.185 174.900 0.021 0.000 1.238 239 G CA -0.182 44.925 45.100 0.012 0.000 0.994 239 G HN 0.076 nan 8.290 nan 0.000 0.493 240 T N -1.532 113.040 114.554 0.030 0.000 2.978 240 T HA 0.167 4.517 4.350 0.001 0.000 0.248 240 T C 0.643 175.382 174.700 0.065 0.000 1.018 240 T CA 0.100 62.222 62.100 0.037 0.000 1.026 240 T CB 0.005 68.890 68.868 0.027 0.000 1.032 240 T HN 0.164 nan 8.240 nan 0.000 0.485 241 V N 3.696 123.669 119.914 0.098 0.000 2.498 241 V HA 0.533 4.654 4.120 0.001 0.000 0.279 241 V C 0.659 176.858 176.094 0.176 0.000 1.048 241 V CA -0.286 62.120 62.300 0.175 0.000 0.967 241 V CB 1.012 32.969 31.823 0.222 0.000 0.988 241 V HN 0.655 nan 8.190 nan 0.000 0.473 242 T N 1.541 116.192 114.554 0.163 0.000 2.888 242 T HA 0.672 5.023 4.350 0.001 0.000 0.288 242 T C 1.018 175.790 174.700 0.120 0.000 1.063 242 T CA -0.058 62.089 62.100 0.079 0.000 1.010 242 T CB 1.957 70.854 68.868 0.049 0.000 1.214 242 T HN 0.631 nan 8.240 nan 0.000 0.533 243 A N 0.207 123.054 122.820 0.045 0.000 2.019 243 A HA 0.213 4.534 4.320 0.001 0.000 0.219 243 A C 2.244 179.890 177.584 0.104 0.000 1.164 243 A CA 1.819 53.903 52.037 0.078 0.000 0.644 243 A CB -1.510 17.511 19.000 0.034 0.000 0.805 243 A HN 1.147 nan 8.150 nan 0.000 0.449 244 G N 0.386 109.232 108.800 0.078 0.000 2.464 244 G HA2 -0.124 3.837 3.960 0.001 0.000 0.217 244 G HA3 -0.124 3.837 3.960 0.001 0.000 0.217 244 G C 0.995 175.950 174.900 0.091 0.000 1.138 244 G CA 1.005 46.143 45.100 0.063 0.000 0.793 244 G HN 0.757 nan 8.290 nan 0.000 0.539 245 N N -0.049 118.730 118.700 0.132 0.000 2.203 245 N HA 0.448 5.188 4.740 0.001 0.000 0.207 245 N C 0.310 175.951 175.510 0.219 0.000 1.130 245 N CA 0.151 53.302 53.050 0.169 0.000 0.861 245 N CB 0.451 39.036 38.487 0.164 0.000 1.005 245 N HN 0.238 nan 8.380 nan 0.000 0.507 246 A N 0.121 123.075 122.820 0.225 0.000 2.311 246 A HA 0.744 5.065 4.320 0.001 0.000 0.334 246 A C 0.359 177.973 177.584 0.049 0.000 1.139 246 A CA -0.539 51.590 52.037 0.154 0.000 0.830 246 A CB 0.731 19.941 19.000 0.350 0.000 1.234 246 A HN 0.348 nan 8.150 nan 0.000 0.483 247 S N 0.155 115.783 115.700 -0.120 0.000 2.626 247 S HA 0.577 5.047 4.470 0.001 0.000 0.257 247 S C 0.708 175.344 174.600 0.060 0.000 1.288 247 S CA -0.073 58.132 58.200 0.009 0.000 0.980 247 S CB 0.483 63.638 63.200 -0.075 0.000 0.975 247 S HN 1.364 nan 8.310 nan 0.000 0.577 248 G N -0.918 107.892 108.800 0.017 0.000 2.671 248 G HA2 0.599 4.559 3.960 0.001 0.000 0.275 248 G HA3 0.599 4.559 3.960 0.001 0.000 0.275 248 G C -1.044 173.718 174.900 -0.230 0.000 1.368 248 G CA -1.241 43.766 45.100 -0.154 0.000 1.044 248 G HN 0.643 nan 8.290 nan 0.000 0.543 249 L N 0.554 121.583 121.223 -0.323 0.000 2.282 249 L HA 0.479 4.819 4.340 0.001 0.000 0.288 249 L C -0.422 176.289 176.870 -0.264 0.000 1.033 249 L CA -0.508 54.114 54.840 -0.363 0.000 0.807 249 L CB 1.527 43.124 42.059 -0.770 0.000 1.209 249 L HN 0.497 nan 8.230 nan 0.000 0.423 250 N N 0.943 119.547 118.700 -0.160 0.000 2.732 250 N HA 0.515 5.256 4.740 0.001 0.000 0.259 250 N C -1.932 173.576 175.510 -0.005 0.000 1.402 250 N CA -0.940 52.053 53.050 -0.095 0.000 0.829 250 N CB 1.921 40.296 38.487 -0.187 0.000 1.495 250 N HN 0.403 nan 8.380 nan 0.000 0.511 251 D N -0.412 120.017 120.400 0.048 0.000 2.619 251 D HA 0.738 5.379 4.640 0.001 0.000 0.241 251 D C -0.230 176.139 176.300 0.115 0.000 1.087 251 D CA -0.383 53.671 54.000 0.090 0.000 0.851 251 D CB 2.036 42.951 40.800 0.191 0.000 1.474 251 D HN 0.647 nan 8.370 nan 0.000 0.478 252 G N -0.696 108.103 108.800 -0.002 0.000 2.322 252 G HA2 0.650 4.610 3.960 0.001 0.000 0.295 252 G HA3 0.650 4.610 3.960 0.001 0.000 0.295 252 G C -1.994 172.832 174.900 -0.122 0.000 1.369 252 G CA -0.202 44.867 45.100 -0.053 0.000 0.821 252 G HN 0.653 nan 8.290 nan 0.000 0.536 253 A N -1.428 121.317 122.820 -0.124 0.000 2.606 253 A HA 1.142 5.463 4.320 0.001 0.000 0.293 253 A C -0.495 177.054 177.584 -0.057 0.000 1.082 253 A CA 0.240 52.215 52.037 -0.102 0.000 0.685 253 A CB 1.462 20.378 19.000 -0.139 0.000 1.284 253 A HN 2.645 nan 8.150 nan 0.000 0.408 254 A N -0.501 122.295 122.820 -0.040 0.000 2.577 254 A HA 0.979 5.300 4.320 0.001 0.000 0.297 254 A C -0.560 177.015 177.584 -0.014 0.000 1.060 254 A CA 0.234 52.265 52.037 -0.009 0.000 0.697 254 A CB 0.822 19.826 19.000 0.007 0.000 1.281 254 A HN 2.695 nan 8.150 nan 0.000 0.402 255 A N 0.107 122.930 122.820 0.006 0.000 2.583 255 A HA 1.088 5.409 4.320 0.001 0.000 0.289 255 A C -0.508 177.082 177.584 0.010 0.000 1.151 255 A CA -0.118 51.913 52.037 -0.010 0.000 0.695 255 A CB 1.231 20.221 19.000 -0.017 0.000 1.290 255 A HN 2.695 nan 8.150 nan 0.000 0.419 256 A N -0.118 122.695 122.820 -0.012 0.000 2.520 256 A HA 0.686 5.007 4.320 0.001 0.000 0.298 256 A C -1.429 176.143 177.584 -0.019 0.000 1.051 256 A CA -0.325 51.706 52.037 -0.009 0.000 0.690 256 A CB 1.152 20.138 19.000 -0.023 0.000 1.281 256 A HN 1.553 nan 8.150 nan 0.000 0.402 257 L N 3.249 124.465 121.223 -0.010 0.000 2.264 257 L HA 0.581 4.922 4.340 0.001 0.000 0.289 257 L C -1.288 175.572 176.870 -0.017 0.000 1.044 257 L CA -0.754 54.079 54.840 -0.012 0.000 0.807 257 L CB 0.611 42.670 42.059 -0.000 0.000 1.192 257 L HN 0.570 nan 8.230 nan 0.000 0.425 258 L N 6.646 127.856 121.223 -0.021 0.000 2.346 258 L HA 0.648 4.989 4.340 0.001 0.000 0.274 258 L C -0.083 176.781 176.870 -0.010 0.000 1.007 258 L CA -0.441 54.387 54.840 -0.019 0.000 0.818 258 L CB 1.496 43.538 42.059 -0.028 0.000 1.284 258 L HN 0.820 nan 8.230 nan 0.000 0.424 259 M N 0.434 120.031 119.600 -0.005 0.000 2.880 259 M HA 0.516 4.997 4.480 0.001 0.000 0.269 259 M C -0.344 175.958 176.300 0.004 0.000 1.248 259 M CA -0.744 54.556 55.300 0.001 0.000 0.821 259 M CB 2.155 34.757 32.600 0.002 0.000 1.650 259 M HN 0.439 nan 8.290 nan 0.000 0.479 260 S N -0.258 115.447 115.700 0.007 0.000 2.579 260 S HA 0.103 4.574 4.470 0.001 0.000 0.275 260 S C 0.688 175.293 174.600 0.009 0.000 1.345 260 S CA 0.455 58.661 58.200 0.010 0.000 1.031 260 S CB 1.139 64.346 63.200 0.011 0.000 0.892 260 S HN 0.957 nan 8.310 nan 0.000 0.529 261 E N 2.155 122.362 120.200 0.012 0.000 2.070 261 E HA -0.221 4.129 4.350 0.001 0.000 0.197 261 E C 2.154 178.760 176.600 0.011 0.000 1.004 261 E CA 1.453 57.861 56.400 0.012 0.000 0.805 261 E CB -0.587 29.122 29.700 0.016 0.000 0.744 261 E HN 0.897 nan 8.360 nan 0.000 0.451 262 A N 0.611 123.438 122.820 0.012 0.000 1.972 262 A HA -0.218 4.103 4.320 0.001 0.000 0.219 262 A C 1.978 179.568 177.584 0.009 0.000 1.169 262 A CA 1.712 53.755 52.037 0.011 0.000 0.635 262 A CB -0.483 18.524 19.000 0.011 0.000 0.810 262 A HN 0.352 nan 8.150 nan 0.000 0.446 263 E N -0.015 120.191 120.200 0.009 0.000 2.072 263 E HA -0.038 4.313 4.350 0.001 0.000 0.191 263 E C 2.048 178.652 176.600 0.008 0.000 0.985 263 E CA 1.230 57.635 56.400 0.008 0.000 0.801 263 E CB -0.318 29.387 29.700 0.008 0.000 0.750 263 E HN 0.505 nan 8.360 nan 0.000 0.452 264 A N 0.015 122.839 122.820 0.007 0.000 1.902 264 A HA -0.192 4.128 4.320 0.001 0.000 0.217 264 A C 2.369 179.957 177.584 0.007 0.000 1.181 264 A CA 1.859 53.900 52.037 0.006 0.000 0.623 264 A CB -0.959 18.044 19.000 0.004 0.000 0.818 264 A HN 0.323 nan 8.150 nan 0.000 0.443 265 S N -0.681 115.024 115.700 0.008 0.000 2.382 265 S HA -0.167 4.303 4.470 0.001 0.000 0.228 265 S C 2.143 176.748 174.600 0.008 0.000 1.027 265 S CA 1.311 59.516 58.200 0.008 0.000 0.991 265 S CB -0.353 62.852 63.200 0.009 0.000 0.823 265 S HN 0.618 nan 8.310 nan 0.000 0.469 266 R N 0.256 120.760 120.500 0.008 0.000 2.127 266 R HA 0.024 4.364 4.340 0.001 0.000 0.238 266 R C 2.191 178.495 176.300 0.008 0.000 1.134 266 R CA 1.368 57.472 56.100 0.008 0.000 0.975 266 R CB -0.195 30.109 30.300 0.008 0.000 0.865 266 R HN 0.373 nan 8.270 nan 0.000 0.447 267 R N -0.660 119.845 120.500 0.008 0.000 2.317 267 R HA 0.110 4.450 4.340 0.001 0.000 0.208 267 R C 0.895 177.201 176.300 0.009 0.000 0.914 267 R CA 0.479 56.584 56.100 0.008 0.000 1.060 267 R CB 0.735 31.040 30.300 0.008 0.000 1.015 267 R HN 0.354 nan 8.270 nan 0.000 0.498 268 G N 1.723 110.528 108.800 0.008 0.000 2.153 268 G HA2 -0.290 3.670 3.960 0.001 0.000 0.252 268 G HA3 -0.290 3.670 3.960 0.001 0.000 0.252 268 G C 0.186 175.092 174.900 0.010 0.000 0.994 268 G CA 0.007 45.112 45.100 0.009 0.000 0.698 268 G HN 0.249 nan 8.290 nan 0.000 0.521 269 I N -0.117 120.458 120.570 0.009 0.000 2.519 269 I HA 0.317 4.488 4.170 0.001 0.000 0.287 269 I C 0.645 176.766 176.117 0.007 0.000 1.047 269 I CA -0.292 61.013 61.300 0.009 0.000 1.381 269 I CB 1.329 39.333 38.000 0.008 0.000 1.417 269 I HN -0.010 nan 8.210 nan 0.000 0.540 270 Q N 7.249 127.052 119.800 0.006 0.000 2.509 270 Q HA 0.380 4.721 4.340 0.001 0.000 0.236 270 Q C -2.371 173.625 176.000 -0.007 0.000 1.073 270 Q CA -1.759 54.046 55.803 0.003 0.000 0.867 270 Q CB 0.759 29.501 28.738 0.007 0.000 1.181 270 Q HN 0.248 nan 8.270 nan 0.000 0.526 271 P HA 0.004 nan 4.420 nan 0.000 0.272 271 P C 0.071 177.343 177.300 -0.046 0.000 1.230 271 P CA -0.435 62.651 63.100 -0.025 0.000 0.788 271 P CB 0.811 32.502 31.700 -0.015 0.000 0.949 272 L N 0.231 121.403 121.223 -0.085 0.000 2.313 272 L HA 0.267 4.608 4.340 0.001 0.000 0.214 272 L C 1.274 178.091 176.870 -0.090 0.000 1.119 272 L CA 1.151 55.909 54.840 -0.137 0.000 0.809 272 L CB -1.381 40.522 42.059 -0.260 0.000 0.933 272 L HN 0.665 nan 8.230 nan 0.000 0.449 273 G N -1.259 107.511 108.800 -0.050 0.000 2.411 273 G HA2 0.357 4.317 3.960 0.001 0.000 0.295 273 G HA3 0.357 4.317 3.960 0.001 0.000 0.295 273 G C -1.410 173.494 174.900 0.006 0.000 1.542 273 G CA -0.921 44.172 45.100 -0.012 0.000 0.814 273 G HN -0.078 nan 8.290 nan 0.000 0.557 274 R N 0.779 121.300 120.500 0.035 0.000 2.346 274 R HA 0.604 4.944 4.340 0.001 0.000 0.311 274 R C -0.274 176.052 176.300 0.043 0.000 0.983 274 R CA -0.828 55.295 56.100 0.038 0.000 0.880 274 R CB 0.825 31.156 30.300 0.051 0.000 1.100 274 R HN 0.411 nan 8.270 nan 0.000 0.453 275 I N 6.637 127.223 120.570 0.027 0.000 2.347 275 I HA -0.015 4.155 4.170 0.001 0.000 0.294 275 I C 1.514 177.639 176.117 0.013 0.000 1.090 275 I CA -0.239 61.076 61.300 0.025 0.000 1.314 275 I CB 1.343 39.357 38.000 0.025 0.000 1.423 275 I HN 0.632 nan 8.210 nan 0.000 0.503 276 V N 2.694 122.586 119.914 -0.037 0.000 2.685 276 V HA 0.173 4.293 4.120 0.001 0.000 0.244 276 V C 0.765 176.769 176.094 -0.150 0.000 1.054 276 V CA 1.051 63.281 62.300 -0.117 0.000 1.076 276 V CB 0.061 31.740 31.823 -0.240 0.000 0.725 276 V HN 0.746 nan 8.190 nan 0.000 0.467 277 S N -0.706 114.911 115.700 -0.137 0.000 2.643 277 S HA 0.694 5.164 4.470 0.001 0.000 0.270 277 S C -1.432 173.226 174.600 0.097 0.000 1.166 277 S CA -0.241 57.913 58.200 -0.077 0.000 0.815 277 S CB 1.889 64.947 63.200 -0.236 0.000 1.139 277 S HN 1.376 nan 8.310 nan 0.000 0.472 278 W N -0.008 121.245 121.300 -0.078 0.000 3.066 278 W HA 0.816 5.476 4.660 0.001 0.000 0.330 278 W C -1.904 174.599 176.519 -0.027 0.000 1.253 278 W CA -0.833 56.487 57.345 -0.041 0.000 1.187 278 W CB 0.965 30.412 29.460 -0.022 0.000 1.434 278 W HN 1.500 nan 8.180 nan 0.000 0.572 279 A N 1.347 124.053 122.820 -0.189 0.000 2.594 279 A HA 0.633 4.954 4.320 0.001 0.000 0.296 279 A C -1.699 175.857 177.584 -0.045 0.000 1.061 279 A CA -0.372 51.387 52.037 -0.464 0.000 0.689 279 A CB 1.680 20.505 19.000 -0.292 0.000 1.280 279 A HN 0.745 nan 8.150 nan 0.000 0.406 280 T N 0.583 115.093 114.554 -0.073 0.000 2.893 280 T HA 0.717 5.068 4.350 0.001 0.000 0.293 280 T C -1.330 173.391 174.700 0.035 0.000 1.027 280 T CA -0.258 61.911 62.100 0.114 0.000 0.988 280 T CB 1.182 70.226 68.868 0.294 0.000 1.043 280 T HN 1.293 nan 8.240 nan 0.000 0.461 281 V N 2.160 122.106 119.914 0.052 0.000 3.087 281 V HA 0.831 4.952 4.120 0.001 0.000 0.306 281 V C 0.529 176.649 176.094 0.043 0.000 1.187 281 V CA -0.982 61.335 62.300 0.028 0.000 0.999 281 V CB 2.255 34.083 31.823 0.008 0.000 1.049 281 V HN 1.060 nan 8.190 nan 0.000 0.431 282 G N 0.582 109.400 108.800 0.031 0.000 2.410 282 G HA2 0.807 4.768 3.960 0.001 0.000 0.330 282 G HA3 0.807 4.768 3.960 0.001 0.000 0.330 282 G C -0.737 174.177 174.900 0.023 0.000 1.142 282 G CA -0.288 44.831 45.100 0.031 0.000 0.902 282 G HN 1.319 nan 8.290 nan 0.000 0.491 283 V N -1.716 118.215 119.914 0.028 0.000 3.202 283 V HA 0.617 4.737 4.120 0.001 0.000 0.306 283 V C -0.784 175.323 176.094 0.021 0.000 1.283 283 V CA -1.300 61.015 62.300 0.026 0.000 1.065 283 V CB 1.709 33.556 31.823 0.040 0.000 1.079 283 V HN 0.589 nan 8.190 nan 0.000 0.448 284 D N 1.750 122.162 120.400 0.020 0.000 2.450 284 D HA 0.263 4.903 4.640 0.001 0.000 0.247 284 D C -1.629 174.700 176.300 0.047 0.000 1.162 284 D CA -1.372 52.642 54.000 0.024 0.000 0.879 284 D CB 1.823 42.633 40.800 0.016 0.000 1.163 284 D HN 0.390 nan 8.370 nan 0.000 0.472 285 P HA -0.146 nan 4.420 nan 0.000 0.218 285 P C 0.969 178.327 177.300 0.097 0.000 1.148 285 P CA 1.384 64.581 63.100 0.161 0.000 0.822 285 P CB 0.195 32.094 31.700 0.332 0.000 0.784 286 K N -0.376 119.990 120.400 -0.056 0.000 2.152 286 K HA -0.060 4.260 4.320 0.001 0.000 0.206 286 K C 1.015 177.589 176.600 -0.044 0.000 1.048 286 K CA 1.510 57.701 56.287 -0.161 0.000 0.933 286 K CB -0.377 31.922 32.500 -0.335 0.000 0.721 286 K HN 0.182 nan 8.250 nan 0.000 0.447 287 V N -0.706 119.201 119.914 -0.011 0.000 2.759 287 V HA 0.142 4.263 4.120 0.001 0.000 0.342 287 V C 0.930 177.048 176.094 0.040 0.000 1.228 287 V CA -0.577 61.730 62.300 0.012 0.000 1.302 287 V CB 0.053 31.894 31.823 0.030 0.000 1.496 287 V HN 0.138 nan 8.190 nan 0.000 0.628 288 M N 0.565 120.196 119.600 0.052 0.000 2.267 288 M HA 0.153 4.633 4.480 0.001 0.000 0.263 288 M C 1.706 178.049 176.300 0.072 0.000 1.063 288 M CA 2.480 57.825 55.300 0.076 0.000 1.090 288 M CB -1.299 31.364 32.600 0.105 0.000 1.392 288 M HN 0.318 nan 8.290 nan 0.000 0.422 289 G N -0.014 108.820 108.800 0.056 0.000 2.625 289 G HA2 -0.084 3.876 3.960 0.001 0.000 0.214 289 G HA3 -0.084 3.876 3.960 0.001 0.000 0.214 289 G C 1.513 176.425 174.900 0.021 0.000 1.132 289 G CA 0.962 46.094 45.100 0.052 0.000 0.782 289 G HN 0.701 nan 8.290 nan 0.000 0.538 290 T N -2.170 112.406 114.554 0.037 0.000 3.088 290 T HA 0.171 4.521 4.350 0.001 0.000 0.259 290 T C 2.383 177.108 174.700 0.041 0.000 1.122 290 T CA 1.046 63.170 62.100 0.039 0.000 1.095 290 T CB -0.013 68.915 68.868 0.099 0.000 0.930 290 T HN 0.159 nan 8.240 nan 0.000 0.508 291 G N 3.083 111.914 108.800 0.053 0.000 2.624 291 G HA2 -0.232 3.728 3.960 0.001 0.000 0.221 291 G HA3 -0.232 3.728 3.960 0.001 0.000 0.221 291 G C -0.507 174.428 174.900 0.058 0.000 1.169 291 G CA 1.125 46.261 45.100 0.060 0.000 0.771 291 G HN 0.477 nan 8.290 nan 0.000 0.598 292 P HA -0.044 nan 4.420 nan 0.000 0.221 292 P C 1.838 179.170 177.300 0.052 0.000 1.145 292 P CA 0.713 63.863 63.100 0.083 0.000 0.795 292 P CB -0.069 31.695 31.700 0.108 0.000 0.775 293 I N 0.716 121.290 120.570 0.007 0.000 2.113 293 I HA -0.134 4.036 4.170 0.001 0.000 0.238 293 I C -0.304 175.804 176.117 -0.016 0.000 1.070 293 I CA 1.847 63.125 61.300 -0.037 0.000 1.332 293 I CB -2.138 35.845 38.000 -0.027 0.000 1.044 293 I HN 0.050 nan 8.210 nan 0.000 0.402 294 P HA -0.116 nan 4.420 nan 0.000 0.217 294 P C 1.455 178.759 177.300 0.006 0.000 1.151 294 P CA 1.856 64.958 63.100 0.003 0.000 0.828 294 P CB 0.015 31.720 31.700 0.008 0.000 0.788 295 A N 0.401 123.238 122.820 0.027 0.000 1.908 295 A HA -0.143 4.177 4.320 0.001 0.000 0.218 295 A C 2.495 180.109 177.584 0.049 0.000 1.181 295 A CA 2.231 54.291 52.037 0.038 0.000 0.627 295 A CB -1.525 17.519 19.000 0.074 0.000 0.818 295 A HN 0.189 nan 8.150 nan 0.000 0.445 296 S N -0.790 114.956 115.700 0.077 0.000 2.406 296 S HA -0.069 4.401 4.470 0.001 0.000 0.228 296 S C 2.040 176.686 174.600 0.077 0.000 1.020 296 S CA 1.027 59.302 58.200 0.126 0.000 0.965 296 S CB -0.224 63.108 63.200 0.220 0.000 0.798 296 S HN 0.599 nan 8.310 nan 0.000 0.488 297 R N 1.098 121.612 120.500 0.022 0.000 2.090 297 R HA 0.023 4.363 4.340 0.001 0.000 0.228 297 R C 2.282 178.579 176.300 -0.005 0.000 1.110 297 R CA 1.064 57.167 56.100 0.006 0.000 0.973 297 R CB -0.193 30.095 30.300 -0.019 0.000 0.869 297 R HN 0.087 nan 8.270 nan 0.000 0.440 298 K N 1.389 121.774 120.400 -0.025 0.000 2.057 298 K HA 0.004 4.324 4.320 0.001 0.000 0.206 298 K C 1.856 178.400 176.600 -0.092 0.000 1.050 298 K CA 1.602 57.850 56.287 -0.065 0.000 0.935 298 K CB -0.469 31.978 32.500 -0.089 0.000 0.715 298 K HN 0.100 nan 8.250 nan 0.000 0.439 299 A N 1.127 123.905 122.820 -0.070 0.000 1.859 299 A HA -0.180 4.141 4.320 0.001 0.000 0.217 299 A C 2.334 179.860 177.584 -0.096 0.000 1.198 299 A CA 2.054 54.041 52.037 -0.083 0.000 0.629 299 A CB -0.985 18.014 19.000 -0.003 0.000 0.830 299 A HN 0.336 nan 8.150 nan 0.000 0.446 300 L N -0.961 120.258 121.223 -0.007 0.000 2.079 300 L HA -0.225 4.115 4.340 0.001 0.000 0.210 300 L C 2.692 179.562 176.870 -0.001 0.000 1.081 300 L CA 1.840 56.706 54.840 0.044 0.000 0.752 300 L CB -0.533 41.623 42.059 0.160 0.000 0.896 300 L HN 0.636 nan 8.230 nan 0.000 0.433 301 E N 0.416 120.605 120.200 -0.018 0.000 2.085 301 E HA -0.245 4.105 4.350 0.001 0.000 0.194 301 E C 2.363 178.918 176.600 -0.075 0.000 0.994 301 E CA 1.239 57.621 56.400 -0.030 0.000 0.801 301 E CB 0.098 29.776 29.700 -0.037 0.000 0.743 301 E HN 0.381 nan 8.360 nan 0.000 0.453 302 R N -0.348 120.076 120.500 -0.127 0.000 2.115 302 R HA 0.003 4.343 4.340 0.001 0.000 0.226 302 R C 2.311 178.482 176.300 -0.214 0.000 1.100 302 R CA 0.822 56.824 56.100 -0.162 0.000 0.980 302 R CB -0.129 30.048 30.300 -0.204 0.000 0.875 302 R HN 0.144 nan 8.270 nan 0.000 0.445 303 A N 0.353 122.973 122.820 -0.334 0.000 2.121 303 A HA 0.025 4.345 4.320 0.001 0.000 0.218 303 A C 1.524 178.895 177.584 -0.354 0.000 1.154 303 A CA 1.153 52.819 52.037 -0.618 0.000 0.679 303 A CB -0.496 17.660 19.000 -1.407 0.000 0.795 303 A HN 0.473 nan 8.150 nan 0.000 0.458 304 G N -3.068 105.664 108.800 -0.112 0.000 2.198 304 G HA2 -0.243 3.717 3.960 0.001 0.000 0.260 304 G HA3 -0.243 3.717 3.960 0.001 0.000 0.260 304 G C -0.284 174.777 174.900 0.270 0.000 1.025 304 G CA 0.384 45.521 45.100 0.062 0.000 0.769 304 G HN 0.387 nan 8.290 nan 0.000 0.507 305 W N 0.210 121.524 121.300 0.022 0.000 2.578 305 W HA 0.681 5.342 4.660 0.001 0.000 0.346 305 W C 0.635 177.175 176.519 0.034 0.000 1.075 305 W CA -1.744 55.620 57.345 0.031 0.000 1.233 305 W CB 0.946 30.431 29.460 0.042 0.000 1.358 305 W HN -0.022 nan 8.180 nan 0.000 0.574 306 K N 2.123 122.665 120.400 0.237 0.000 2.144 306 K HA 0.277 4.597 4.320 0.001 0.000 0.270 306 K C 1.280 177.978 176.600 0.163 0.000 1.005 306 K CA -0.624 55.754 56.287 0.150 0.000 0.932 306 K CB 1.509 34.059 32.500 0.083 0.000 1.021 306 K HN 0.341 nan 8.250 nan 0.000 0.462 307 I N 1.332 121.992 120.570 0.150 0.000 2.194 307 I HA -0.265 3.906 4.170 0.001 0.000 0.246 307 I C 2.114 178.336 176.117 0.176 0.000 1.093 307 I CA 1.702 63.119 61.300 0.194 0.000 1.355 307 I CB -0.352 37.733 38.000 0.140 0.000 1.046 307 I HN 0.917 nan 8.210 nan 0.000 0.413 308 G N -0.029 108.836 108.800 0.107 0.000 2.498 308 G HA2 -0.201 3.760 3.960 0.001 0.000 0.219 308 G HA3 -0.201 3.760 3.960 0.001 0.000 0.219 308 G C 1.115 176.025 174.900 0.016 0.000 1.119 308 G CA 0.591 45.732 45.100 0.069 0.000 0.766 308 G HN 0.323 nan 8.290 nan 0.000 0.552 309 D N 0.171 120.561 120.400 -0.016 0.000 2.269 309 D HA 0.018 4.658 4.640 0.001 0.000 0.208 309 D C 1.309 177.497 176.300 -0.187 0.000 0.963 309 D CA 0.087 54.000 54.000 -0.144 0.000 0.864 309 D CB 0.070 40.709 40.800 -0.268 0.000 0.936 309 D HN 0.248 nan 8.370 nan 0.000 0.505 310 L N 1.553 122.740 121.223 -0.060 0.000 2.453 310 L HA 0.020 4.360 4.340 0.001 0.000 0.272 310 L C 1.187 178.018 176.870 -0.066 0.000 1.182 310 L CA 0.061 54.872 54.840 -0.048 0.000 0.858 310 L CB 0.812 42.920 42.059 0.082 0.000 1.120 310 L HN -0.166 nan 8.230 nan 0.000 0.474 311 D N 2.429 122.774 120.400 -0.092 0.000 2.388 311 D HA 0.192 4.833 4.640 0.001 0.000 0.208 311 D C -0.164 176.094 176.300 -0.071 0.000 1.035 311 D CA 0.585 54.538 54.000 -0.077 0.000 0.875 311 D CB 1.051 41.802 40.800 -0.083 0.000 0.984 311 D HN 0.137 nan 8.370 nan 0.000 0.508 312 L N 0.551 121.727 121.223 -0.079 0.000 2.505 312 L HA 0.326 4.666 4.340 0.001 0.000 0.259 312 L C -1.644 175.141 176.870 -0.141 0.000 0.952 312 L CA -0.710 54.072 54.840 -0.096 0.000 0.840 312 L CB 2.539 44.563 42.059 -0.059 0.000 1.358 312 L HN -0.346 nan 8.230 nan 0.000 0.409 313 V N 2.867 122.643 119.914 -0.231 0.000 2.709 313 V HA 0.614 4.734 4.120 0.001 0.000 0.308 313 V C -0.870 175.088 176.094 -0.226 0.000 1.062 313 V CA -0.714 61.384 62.300 -0.337 0.000 0.901 313 V CB 2.015 33.362 31.823 -0.793 0.000 1.003 313 V HN 0.615 nan 8.190 nan 0.000 0.425 314 E N 3.174 123.288 120.200 -0.143 0.000 2.102 314 E HA 0.628 4.978 4.350 0.001 0.000 0.263 314 E C -0.463 176.108 176.600 -0.049 0.000 0.894 314 E CA -0.235 56.124 56.400 -0.067 0.000 0.746 314 E CB 1.865 31.561 29.700 -0.007 0.000 1.129 314 E HN 0.789 nan 8.360 nan 0.000 0.416 315 A N 4.202 127.000 122.820 -0.036 0.000 2.293 315 A HA 0.306 4.627 4.320 0.001 0.000 0.312 315 A C 0.167 177.790 177.584 0.065 0.000 1.309 315 A CA -0.799 51.269 52.037 0.051 0.000 0.839 315 A CB 0.215 19.295 19.000 0.134 0.000 1.155 315 A HN 0.438 nan 8.150 nan 0.000 0.501 316 N N 1.766 120.491 118.700 0.043 0.000 2.353 316 N HA -0.025 4.716 4.740 0.001 0.000 0.248 316 N C -0.078 175.425 175.510 -0.011 0.000 1.240 316 N CA 0.825 53.872 53.050 -0.004 0.000 0.862 316 N CB 0.412 38.875 38.487 -0.041 0.000 1.086 316 N HN 0.632 nan 8.380 nan 0.000 0.453 317 E N 2.344 122.526 120.200 -0.031 0.000 2.282 317 E HA 0.240 4.590 4.350 0.001 0.000 0.247 317 E C 0.365 176.869 176.600 -0.161 0.000 1.113 317 E CA -0.483 55.926 56.400 0.015 0.000 1.095 317 E CB 0.307 30.100 29.700 0.155 0.000 1.328 317 E HN 0.652 nan 8.360 nan 0.000 0.463 318 A N 2.287 124.958 122.820 -0.248 0.000 1.877 318 A HA -0.059 4.261 4.320 0.001 0.000 0.216 318 A C 0.376 177.495 177.584 -0.775 0.000 1.186 318 A CA 1.202 52.934 52.037 -0.509 0.000 0.620 318 A CB 0.011 18.867 19.000 -0.240 0.000 0.822 318 A HN 0.401 nan 8.150 nan 0.000 0.443 319 F N -4.151 115.786 119.950 -0.021 0.000 2.591 319 F HA 0.578 5.105 4.527 0.001 0.000 0.309 319 F C 1.015 176.793 175.800 -0.038 0.000 1.098 319 F CA -0.449 57.553 58.000 0.003 0.000 0.937 319 F CB 1.621 40.609 39.000 -0.020 0.000 1.250 319 F HN 0.068 nan 8.300 nan 0.000 0.447 320 A N 1.750 124.672 122.820 0.171 0.000 1.986 320 A HA -0.073 4.248 4.320 0.001 0.000 0.220 320 A C 2.213 179.698 177.584 -0.164 0.000 1.171 320 A CA 2.264 54.291 52.037 -0.016 0.000 0.640 320 A CB -0.998 18.105 19.000 0.172 0.000 0.811 320 A HN 0.932 nan 8.150 nan 0.000 0.451 321 A N 0.244 123.052 122.820 -0.019 0.000 1.865 321 A HA -0.225 4.095 4.320 0.001 0.000 0.217 321 A C 2.157 179.657 177.584 -0.141 0.000 1.191 321 A CA 2.206 54.200 52.037 -0.072 0.000 0.623 321 A CB -0.655 18.320 19.000 -0.041 0.000 0.826 321 A HN 0.730 nan 8.150 nan 0.000 0.444 322 Q N -0.219 119.535 119.800 -0.077 0.000 2.123 322 Q HA 0.238 4.578 4.340 0.001 0.000 0.199 322 Q C 1.881 177.759 176.000 -0.204 0.000 0.966 322 Q CA 1.907 57.640 55.803 -0.116 0.000 0.845 322 Q CB -0.944 27.797 28.738 0.006 0.000 0.907 322 Q HN 0.458 nan 8.270 nan 0.000 0.439 323 A N 0.715 123.398 122.820 -0.229 0.000 1.877 323 A HA -0.170 4.151 4.320 0.001 0.000 0.216 323 A C 2.368 179.693 177.584 -0.431 0.000 1.186 323 A CA 1.445 53.303 52.037 -0.298 0.000 0.620 323 A CB -1.236 17.543 19.000 -0.367 0.000 0.822 323 A HN 0.618 nan 8.150 nan 0.000 0.443 324 C N -0.923 118.006 119.300 -0.618 0.000 2.413 324 C HA 0.010 4.471 4.460 0.001 0.000 0.277 324 C C 3.301 178.043 174.990 -0.413 0.000 1.265 324 C CA 0.780 59.520 59.018 -0.464 0.000 1.752 324 C CB -1.480 26.033 27.740 -0.378 0.000 1.998 324 C HN 0.701 nan 8.230 nan 0.000 0.489 325 A N 0.461 122.950 122.820 -0.552 0.000 1.858 325 A HA -0.103 4.218 4.320 0.001 0.000 0.216 325 A C 2.307 179.337 177.584 -0.923 0.000 1.190 325 A CA 2.282 53.682 52.037 -1.061 0.000 0.617 325 A CB -0.857 17.394 19.000 -1.249 0.000 0.827 325 A HN 0.352 nan 8.150 nan 0.000 0.443 326 V N 1.024 120.630 119.914 -0.514 0.000 2.255 326 V HA -0.306 3.814 4.120 0.001 0.000 0.247 326 V C 2.359 178.279 176.094 -0.290 0.000 1.051 326 V CA 2.311 64.418 62.300 -0.321 0.000 1.018 326 V CB -1.179 30.586 31.823 -0.096 0.000 0.641 326 V HN 0.551 nan 8.190 nan 0.000 0.445 327 N N 0.193 118.820 118.700 -0.122 0.000 2.069 327 N HA -0.206 4.534 4.740 0.001 0.000 0.191 327 N C 1.813 177.231 175.510 -0.153 0.000 1.031 327 N CA 1.676 54.739 53.050 0.021 0.000 0.852 327 N CB -0.421 38.166 38.487 0.166 0.000 1.018 327 N HN 0.495 nan 8.380 nan 0.000 0.423 328 K N 0.659 120.930 120.400 -0.215 0.000 2.032 328 K HA -0.143 4.177 4.320 0.001 0.000 0.209 328 K C 1.704 178.221 176.600 -0.138 0.000 1.048 328 K CA 1.514 57.706 56.287 -0.159 0.000 0.927 328 K CB -0.103 32.284 32.500 -0.188 0.000 0.712 328 K HN 0.201 nan 8.250 nan 0.000 0.441 329 D N 0.128 120.361 120.400 -0.279 0.000 2.084 329 D HA -0.138 4.502 4.640 0.001 0.000 0.196 329 D C 1.971 178.158 176.300 -0.189 0.000 0.985 329 D CA 1.134 55.078 54.000 -0.094 0.000 0.826 329 D CB 0.114 40.864 40.800 -0.084 0.000 0.978 329 D HN 0.202 nan 8.370 nan 0.000 0.456 330 L N -0.113 120.857 121.223 -0.421 0.000 2.141 330 L HA 0.004 4.344 4.340 0.001 0.000 0.209 330 L C 2.009 178.596 176.870 -0.471 0.000 1.094 330 L CA 1.032 55.504 54.840 -0.613 0.000 0.763 330 L CB -0.450 40.816 42.059 -1.322 0.000 0.908 330 L HN 0.331 nan 8.230 nan 0.000 0.437 331 G N -0.729 107.843 108.800 -0.380 0.000 2.159 331 G HA2 -0.260 3.700 3.960 0.001 0.000 0.256 331 G HA3 -0.260 3.700 3.960 0.001 0.000 0.256 331 G C -0.052 174.857 174.900 0.015 0.000 0.977 331 G CA 0.151 45.175 45.100 -0.127 0.000 0.652 331 G HN 0.377 nan 8.290 nan 0.000 0.531 332 W N 0.907 122.221 121.300 0.022 0.000 2.148 332 W HA 0.556 5.216 4.660 0.001 0.000 0.347 332 W C 0.140 176.673 176.519 0.023 0.000 1.288 332 W CA -2.099 55.261 57.345 0.024 0.000 1.252 332 W CB 0.154 29.631 29.460 0.030 0.000 1.156 332 W HN 0.131 nan 8.180 nan 0.000 0.580 333 D N 4.260 124.831 120.400 0.284 0.000 2.451 333 D HA -0.023 4.617 4.640 0.001 0.000 0.254 333 D C -0.907 175.478 176.300 0.140 0.000 1.204 333 D CA -1.616 52.481 54.000 0.162 0.000 0.896 333 D CB 1.022 41.875 40.800 0.090 0.000 1.136 333 D HN 0.169 nan 8.370 nan 0.000 0.499 334 P HA -0.157 nan 4.420 nan 0.000 0.222 334 P C 1.102 178.431 177.300 0.048 0.000 1.147 334 P CA 0.817 63.993 63.100 0.128 0.000 0.790 334 P CB -0.018 31.768 31.700 0.143 0.000 0.780 335 S N 0.209 115.928 115.700 0.031 0.000 2.515 335 S HA -0.085 4.386 4.470 0.001 0.000 0.231 335 S C 1.794 176.378 174.600 -0.027 0.000 0.987 335 S CA 0.612 58.812 58.200 -0.000 0.000 0.936 335 S CB -1.429 61.773 63.200 0.003 0.000 0.766 335 S HN 0.381 nan 8.310 nan 0.000 0.528 336 I N -1.058 119.487 120.570 -0.042 0.000 3.928 336 I HA 0.435 4.605 4.170 0.001 0.000 0.335 336 I C -0.611 175.418 176.117 -0.147 0.000 1.325 336 I CA -0.525 60.725 61.300 -0.083 0.000 1.107 336 I CB 0.356 38.309 38.000 -0.078 0.000 1.014 336 I HN -0.026 nan 8.210 nan 0.000 0.400 337 V N 2.671 122.503 119.914 -0.137 0.000 2.427 337 V HA 0.326 4.446 4.120 0.001 0.000 0.286 337 V C -0.006 176.039 176.094 -0.082 0.000 1.034 337 V CA -0.657 61.540 62.300 -0.172 0.000 0.893 337 V CB 0.819 32.550 31.823 -0.153 0.000 0.982 337 V HN 0.497 nan 8.190 nan 0.000 0.452 338 N N 2.139 120.794 118.700 -0.074 0.000 2.669 338 N HA -0.154 4.587 4.740 0.001 0.000 0.266 338 N C 0.962 176.453 175.510 -0.031 0.000 1.024 338 N CA 1.021 54.053 53.050 -0.030 0.000 0.766 338 N CB -0.746 37.735 38.487 -0.010 0.000 0.898 338 N HN 0.888 nan 8.380 nan 0.000 0.548 339 V N -2.663 117.232 119.914 -0.032 0.000 2.626 339 V HA -0.090 4.031 4.120 0.001 0.000 0.252 339 V C 1.332 177.406 176.094 -0.035 0.000 1.067 339 V CA 1.505 63.780 62.300 -0.041 0.000 1.081 339 V CB 0.018 31.813 31.823 -0.046 0.000 0.686 339 V HN 0.301 nan 8.190 nan 0.000 0.468 340 N N 1.432 120.136 118.700 0.006 0.000 2.279 340 N HA 0.426 5.166 4.740 0.001 0.000 0.226 340 N C 0.819 176.422 175.510 0.155 0.000 1.126 340 N CA 0.935 54.008 53.050 0.038 0.000 0.846 340 N CB 0.621 39.115 38.487 0.012 0.000 1.050 340 N HN 0.858 nan 8.380 nan 0.000 0.502 341 G N -1.044 107.786 108.800 0.051 0.000 2.756 341 G HA2 0.116 4.076 3.960 0.001 0.000 0.678 341 G HA3 0.116 4.076 3.960 0.001 0.000 0.678 341 G C -0.173 174.746 174.900 0.033 0.000 1.349 341 G CA -0.574 44.537 45.100 0.019 0.000 0.847 341 G HN 0.503 nan 8.290 nan 0.000 0.548 342 G N -2.229 106.568 108.800 -0.005 0.000 3.022 342 G HA2 0.829 4.790 3.960 0.001 0.000 0.284 342 G HA3 0.829 4.790 3.960 0.001 0.000 0.284 342 G C 1.082 175.993 174.900 0.018 0.000 1.375 342 G CA 0.987 46.094 45.100 0.013 0.000 0.902 342 G HN 2.040 nan 8.290 nan 0.000 0.538 343 A N -0.746 122.082 122.820 0.013 0.000 2.024 343 A HA 0.028 4.349 4.320 0.001 0.000 0.220 343 A C 2.268 179.892 177.584 0.067 0.000 1.164 343 A CA 1.415 53.458 52.037 0.010 0.000 0.643 343 A CB -0.581 18.362 19.000 -0.096 0.000 0.806 343 A HN 0.523 nan 8.150 nan 0.000 0.451 344 I N -0.603 120.005 120.570 0.064 0.000 2.264 344 I HA -0.308 3.862 4.170 0.001 0.000 0.248 344 I C 2.825 179.012 176.117 0.118 0.000 1.111 344 I CA 1.254 62.616 61.300 0.103 0.000 1.382 344 I CB -0.166 37.889 38.000 0.091 0.000 1.060 344 I HN 0.386 nan 8.210 nan 0.000 0.418 345 A N 0.302 123.155 122.820 0.055 0.000 1.887 345 A HA 0.073 4.393 4.320 0.001 0.000 0.212 345 A C 2.202 179.841 177.584 0.093 0.000 1.198 345 A CA 0.759 52.793 52.037 -0.005 0.000 0.628 345 A CB -0.424 18.559 19.000 -0.029 0.000 0.847 345 A HN 0.301 nan 8.150 nan 0.000 0.449 346 I N -1.092 119.544 120.570 0.109 0.000 2.480 346 I HA 0.239 4.409 4.170 0.001 0.000 0.251 346 I C 1.292 177.514 176.117 0.175 0.000 1.124 346 I CA 0.994 62.336 61.300 0.071 0.000 1.444 346 I CB -0.173 37.791 38.000 -0.060 0.000 1.098 346 I HN 0.510 nan 8.210 nan 0.000 0.428 347 G N 0.254 109.175 108.800 0.200 0.000 2.497 347 G HA2 -0.161 3.800 3.960 0.001 0.000 0.686 347 G HA3 -0.161 3.800 3.960 0.001 0.000 0.686 347 G C -1.042 173.884 174.900 0.043 0.000 1.288 347 G CA -0.763 44.347 45.100 0.017 0.000 0.899 347 G HN 0.326 nan 8.290 nan 0.000 0.608 348 H N 1.162 120.141 119.070 -0.152 0.000 2.488 348 H HA 0.535 5.091 4.556 0.001 0.000 0.237 348 H C -2.366 172.897 175.328 -0.107 0.000 1.395 348 H CA -1.825 54.157 56.048 -0.111 0.000 1.491 348 H CB 1.420 31.108 29.762 -0.124 0.000 1.567 348 H HN 0.416 nan 8.280 nan 0.000 0.508 349 P HA 0.083 nan 4.420 nan 0.000 0.268 349 P C 1.268 178.427 177.300 -0.236 0.000 1.541 349 P CA -0.032 62.971 63.100 -0.161 0.000 1.093 349 P CB 0.315 31.973 31.700 -0.071 0.000 1.551 350 I N 2.575 122.916 120.570 -0.382 0.000 2.151 350 I HA -0.346 3.825 4.170 0.001 0.000 0.236 350 I C 2.505 178.507 176.117 -0.192 0.000 1.000 350 I CA 2.414 63.459 61.300 -0.425 0.000 1.285 350 I CB -1.318 36.508 38.000 -0.291 0.000 0.994 350 I HN 0.319 nan 8.210 nan 0.000 0.396 351 G N -0.543 108.183 108.800 -0.124 0.000 2.509 351 G HA2 -0.038 3.922 3.960 0.001 0.000 0.218 351 G HA3 -0.038 3.922 3.960 0.001 0.000 0.218 351 G C 1.584 176.447 174.900 -0.061 0.000 1.124 351 G CA 0.776 45.832 45.100 -0.074 0.000 0.776 351 G HN 0.582 nan 8.290 nan 0.000 0.547 352 A N -0.010 122.771 122.820 -0.066 0.000 2.095 352 A HA 0.357 4.677 4.320 0.001 0.000 0.212 352 A C 2.502 180.080 177.584 -0.010 0.000 1.162 352 A CA 1.325 53.335 52.037 -0.045 0.000 0.753 352 A CB -0.151 18.817 19.000 -0.054 0.000 0.840 352 A HN 0.207 nan 8.150 nan 0.000 0.468 353 S N 0.181 115.887 115.700 0.011 0.000 2.374 353 S HA -0.153 4.318 4.470 0.001 0.000 0.227 353 S C 2.032 176.677 174.600 0.074 0.000 1.037 353 S CA 1.540 59.795 58.200 0.092 0.000 1.024 353 S CB -0.514 62.842 63.200 0.259 0.000 0.861 353 S HN 0.760 nan 8.310 nan 0.000 0.456 354 G N 0.528 109.362 108.800 0.058 0.000 2.422 354 G HA2 0.018 3.978 3.960 0.001 0.000 0.218 354 G HA3 0.018 3.978 3.960 0.001 0.000 0.218 354 G C 1.402 176.318 174.900 0.028 0.000 1.140 354 G CA 0.857 45.984 45.100 0.046 0.000 0.775 354 G HN 0.585 nan 8.290 nan 0.000 0.545 355 A N 0.047 122.875 122.820 0.012 0.000 2.021 355 A HA 0.213 4.533 4.320 0.001 0.000 0.216 355 A C 2.324 179.927 177.584 0.032 0.000 1.163 355 A CA 1.089 53.132 52.037 0.010 0.000 0.676 355 A CB -0.268 18.725 19.000 -0.012 0.000 0.818 355 A HN 0.203 nan 8.150 nan 0.000 0.453 356 R N 1.017 121.536 120.500 0.032 0.000 2.070 356 R HA -0.151 4.189 4.340 0.001 0.000 0.233 356 R C 2.067 178.401 176.300 0.056 0.000 1.137 356 R CA 2.167 58.290 56.100 0.039 0.000 0.945 356 R CB -0.790 29.526 30.300 0.028 0.000 0.845 356 R HN 0.731 nan 8.270 nan 0.000 0.430 357 I N -1.558 119.044 120.570 0.053 0.000 2.394 357 I HA -0.182 3.988 4.170 0.001 0.000 0.251 357 I C 2.373 178.528 176.117 0.063 0.000 1.136 357 I CA 1.110 62.444 61.300 0.057 0.000 1.425 357 I CB -0.388 37.640 38.000 0.046 0.000 1.079 357 I HN 0.083 nan 8.210 nan 0.000 0.425 358 L N 1.554 122.810 121.223 0.055 0.000 1.994 358 L HA -0.223 4.117 4.340 0.001 0.000 0.208 358 L C 2.513 179.423 176.870 0.067 0.000 1.071 358 L CA 1.991 56.858 54.840 0.046 0.000 0.745 358 L CB -0.805 41.271 42.059 0.028 0.000 0.892 358 L HN 0.449 nan 8.230 nan 0.000 0.431 359 N N -0.759 118.004 118.700 0.105 0.000 2.037 359 N HA -0.223 4.517 4.740 0.001 0.000 0.196 359 N C 1.566 177.245 175.510 0.282 0.000 1.034 359 N CA 2.425 55.604 53.050 0.216 0.000 0.861 359 N CB -0.204 38.426 38.487 0.237 0.000 1.039 359 N HN 0.401 nan 8.380 nan 0.000 0.427 360 T N 2.022 116.702 114.554 0.210 0.000 2.746 360 T HA -0.123 4.227 4.350 0.001 0.000 0.267 360 T C 1.995 176.799 174.700 0.174 0.000 1.039 360 T CA 0.627 62.866 62.100 0.231 0.000 1.142 360 T CB -0.343 68.642 68.868 0.195 0.000 0.866 360 T HN 0.125 nan 8.240 nan 0.000 0.444 361 L N 1.017 122.302 121.223 0.103 0.000 1.989 361 L HA -0.035 4.305 4.340 0.001 0.000 0.211 361 L C 2.202 179.091 176.870 0.031 0.000 1.071 361 L CA 1.675 56.546 54.840 0.052 0.000 0.749 361 L CB -0.725 41.350 42.059 0.027 0.000 0.890 361 L HN 0.246 nan 8.230 nan 0.000 0.431 362 L N -1.667 119.553 121.223 -0.007 0.000 1.989 362 L HA -0.253 4.088 4.340 0.001 0.000 0.211 362 L C 2.479 179.252 176.870 -0.162 0.000 1.071 362 L CA 1.620 56.378 54.840 -0.137 0.000 0.749 362 L CB -0.690 41.196 42.059 -0.289 0.000 0.890 362 L HN 0.215 nan 8.230 nan 0.000 0.431 363 F N 0.081 120.050 119.950 0.032 0.000 2.186 363 F HA -0.175 4.352 4.527 0.001 0.000 0.299 363 F C 2.611 178.417 175.800 0.010 0.000 1.090 363 F CA 1.296 59.312 58.000 0.026 0.000 1.307 363 F CB -0.319 38.706 39.000 0.043 0.000 1.019 363 F HN 0.068 nan 8.300 nan 0.000 0.489 364 E N 0.259 120.556 120.200 0.161 0.000 2.150 364 E HA -0.176 4.174 4.350 0.001 0.000 0.193 364 E C 2.122 178.740 176.600 0.030 0.000 0.985 364 E CA 1.288 57.730 56.400 0.070 0.000 0.814 364 E CB -0.286 29.440 29.700 0.044 0.000 0.752 364 E HN 0.346 nan 8.360 nan 0.000 0.466 365 M N -0.124 119.485 119.600 0.014 0.000 2.117 365 M HA -0.145 4.335 4.480 0.001 0.000 0.262 365 M C 2.340 178.634 176.300 -0.009 0.000 1.065 365 M CA 1.621 56.916 55.300 -0.009 0.000 1.114 365 M CB -0.186 32.402 32.600 -0.020 0.000 1.361 365 M HN -0.009 nan 8.290 nan 0.000 0.408 366 K N 0.323 120.717 120.400 -0.010 0.000 2.026 366 K HA -0.212 4.108 4.320 0.001 0.000 0.208 366 K C 2.100 178.714 176.600 0.024 0.000 1.048 366 K CA 1.537 57.826 56.287 0.002 0.000 0.929 366 K CB -0.085 32.418 32.500 0.005 0.000 0.713 366 K HN 0.130 nan 8.250 nan 0.000 0.439 367 R N 0.788 121.314 120.500 0.042 0.000 2.080 367 R HA -0.160 4.180 4.340 0.001 0.000 0.236 367 R C 2.252 178.555 176.300 0.006 0.000 1.137 367 R CA 2.220 58.338 56.100 0.030 0.000 0.943 367 R CB -0.129 30.189 30.300 0.029 0.000 0.846 367 R HN 0.303 nan 8.270 nan 0.000 0.431 368 R N -1.190 119.308 120.500 -0.002 0.000 2.300 368 R HA 0.190 4.530 4.340 0.001 0.000 0.199 368 R C 0.663 176.954 176.300 -0.014 0.000 0.920 368 R CA 0.670 56.763 56.100 -0.013 0.000 1.046 368 R CB 0.273 30.561 30.300 -0.020 0.000 0.984 368 R HN 0.296 nan 8.270 nan 0.000 0.493 369 G N 0.853 109.647 108.800 -0.011 0.000 2.256 369 G HA2 -0.260 3.700 3.960 0.001 0.000 0.272 369 G HA3 -0.260 3.700 3.960 0.001 0.000 0.272 369 G C 0.124 175.009 174.900 -0.024 0.000 1.076 369 G CA 0.020 45.111 45.100 -0.015 0.000 0.882 369 G HN 0.678 nan 8.290 nan 0.000 0.497 370 A N -0.616 122.188 122.820 -0.025 0.000 2.388 370 A HA 0.735 5.056 4.320 0.001 0.000 0.257 370 A C 1.319 178.881 177.584 -0.038 0.000 1.095 370 A CA 0.538 52.554 52.037 -0.036 0.000 0.791 370 A CB 0.387 19.367 19.000 -0.034 0.000 1.029 370 A HN 0.546 nan 8.150 nan 0.000 0.489 371 R N 0.718 121.182 120.500 -0.060 0.000 2.105 371 R HA 0.090 4.431 4.340 0.001 0.000 0.214 371 R C -0.170 176.089 176.300 -0.069 0.000 1.091 371 R CA 0.826 56.888 56.100 -0.063 0.000 1.007 371 R CB 0.081 30.324 30.300 -0.095 0.000 0.912 371 R HN 0.640 nan 8.270 nan 0.000 0.450 372 K N 0.439 120.763 120.400 -0.128 0.000 2.426 372 K HA 0.463 4.784 4.320 0.001 0.000 0.254 372 K C -0.788 175.797 176.600 -0.025 0.000 0.936 372 K CA -0.499 55.687 56.287 -0.168 0.000 0.801 372 K CB 2.410 34.518 32.500 -0.654 0.000 1.139 372 K HN 0.101 nan 8.250 nan 0.000 0.424 373 G N 1.904 110.792 108.800 0.148 0.000 2.619 373 G HA2 0.711 4.671 3.960 0.001 0.000 0.296 373 G HA3 0.711 4.671 3.960 0.001 0.000 0.296 373 G C -1.942 173.079 174.900 0.202 0.000 1.334 373 G CA -0.659 44.510 45.100 0.116 0.000 0.934 373 G HN 0.484 nan 8.290 nan 0.000 0.476 374 L N 0.577 121.860 121.223 0.101 0.000 2.431 374 L HA 0.866 5.206 4.340 0.001 0.000 0.266 374 L C -0.358 176.532 176.870 0.033 0.000 0.978 374 L CA -0.863 54.043 54.840 0.109 0.000 0.822 374 L CB 2.080 44.233 42.059 0.157 0.000 1.310 374 L HN 0.814 nan 8.230 nan 0.000 0.409 375 A N 2.711 125.570 122.820 0.064 0.000 2.331 375 A HA 0.788 5.108 4.320 0.001 0.000 0.320 375 A C -0.663 176.975 177.584 0.090 0.000 1.138 375 A CA -0.412 51.657 52.037 0.053 0.000 0.790 375 A CB 1.757 20.789 19.000 0.054 0.000 1.206 375 A HN 0.635 nan 8.150 nan 0.000 0.470 376 T N 1.722 116.331 114.554 0.093 0.000 2.956 376 T HA 0.648 4.998 4.350 0.001 0.000 0.312 376 T C -1.647 173.117 174.700 0.106 0.000 1.151 376 T CA -0.289 61.889 62.100 0.129 0.000 1.024 376 T CB 0.501 69.490 68.868 0.203 0.000 1.140 376 T HN 0.546 nan 8.240 nan 0.000 0.473 377 L N 3.501 124.787 121.223 0.105 0.000 2.422 377 L HA 0.665 5.005 4.340 0.001 0.000 0.264 377 L C 0.435 177.361 176.870 0.093 0.000 0.984 377 L CA -0.888 54.004 54.840 0.087 0.000 0.819 377 L CB 1.730 43.843 42.059 0.089 0.000 1.330 377 L HN 0.945 nan 8.230 nan 0.000 0.410 378 C N 0.920 120.270 119.300 0.082 0.000 2.500 378 C HA 0.821 5.282 4.460 0.001 0.000 0.367 378 C C 0.063 175.120 174.990 0.112 0.000 1.283 378 C CA -0.853 58.220 59.018 0.093 0.000 2.456 378 C CB -0.027 27.767 27.740 0.090 0.000 2.457 378 C HN 0.670 nan 8.230 nan 0.000 0.632 379 I N 1.799 122.438 120.570 0.116 0.000 2.548 379 I HA 0.424 4.595 4.170 0.001 0.000 0.287 379 I C 0.899 177.090 176.117 0.123 0.000 1.103 379 I CA -0.218 61.153 61.300 0.119 0.000 1.049 379 I CB 1.382 39.447 38.000 0.108 0.000 1.232 379 I HN 1.090 nan 8.210 nan 0.000 0.429 380 G N 3.076 111.951 108.800 0.125 0.000 2.368 380 G HA2 0.331 4.292 3.960 0.001 0.000 0.233 380 G HA3 0.331 4.292 3.960 0.001 0.000 0.233 380 G C 1.034 176.018 174.900 0.140 0.000 1.267 380 G CA 0.773 45.947 45.100 0.123 0.000 0.873 380 G HN 1.255 nan 8.290 nan 0.000 0.539 381 G N 0.086 108.999 108.800 0.189 0.000 2.199 381 G HA2 0.248 4.208 3.960 0.001 0.000 0.254 381 G HA3 0.248 4.208 3.960 0.001 0.000 0.254 381 G C 1.208 176.239 174.900 0.219 0.000 0.982 381 G CA 0.896 46.177 45.100 0.301 0.000 0.632 381 G HN 2.807 nan 8.290 nan 0.000 0.529 382 G N -0.937 107.953 108.800 0.150 0.000 2.754 382 G HA2 0.181 4.142 3.960 0.001 0.000 0.215 382 G HA3 0.181 4.142 3.960 0.001 0.000 0.215 382 G C -0.171 174.780 174.900 0.085 0.000 1.121 382 G CA 0.644 45.806 45.100 0.103 0.000 0.954 382 G HN 1.150 nan 8.290 nan 0.000 0.511 383 M N -0.753 118.903 119.600 0.093 0.000 2.704 383 M HA 0.789 5.269 4.480 0.001 0.000 0.284 383 M C 0.376 176.729 176.300 0.089 0.000 1.275 383 M CA -0.417 54.934 55.300 0.086 0.000 0.811 383 M CB 2.437 35.093 32.600 0.095 0.000 1.741 383 M HN 0.673 nan 8.290 nan 0.000 0.458 384 G N -0.007 108.846 108.800 0.089 0.000 2.660 384 G HA2 0.698 4.659 3.960 0.001 0.000 0.294 384 G HA3 0.698 4.659 3.960 0.001 0.000 0.294 384 G C -2.314 172.655 174.900 0.115 0.000 1.369 384 G CA -0.603 44.555 45.100 0.096 0.000 0.912 384 G HN 0.570 nan 8.290 nan 0.000 0.479 385 V N -0.252 119.739 119.914 0.129 0.000 2.876 385 V HA 0.947 5.068 4.120 0.001 0.000 0.312 385 V C -0.516 175.675 176.094 0.162 0.000 1.085 385 V CA -0.005 62.395 62.300 0.167 0.000 0.945 385 V CB 1.779 33.705 31.823 0.172 0.000 1.017 385 V HN 1.815 nan 8.190 nan 0.000 0.428 386 A N 6.215 129.150 122.820 0.192 0.000 2.587 386 A HA 0.932 5.253 4.320 0.001 0.000 0.293 386 A C -1.194 176.508 177.584 0.198 0.000 1.087 386 A CA -0.622 51.517 52.037 0.170 0.000 0.692 386 A CB 2.095 21.182 19.000 0.145 0.000 1.291 386 A HN 1.226 nan 8.150 nan 0.000 0.407 387 M N 1.118 120.811 119.600 0.154 0.000 2.324 387 M HA 0.536 5.016 4.480 0.001 0.000 0.288 387 M C -1.826 174.527 176.300 0.087 0.000 1.097 387 M CA -0.228 55.157 55.300 0.141 0.000 0.928 387 M CB 1.648 34.322 32.600 0.123 0.000 1.648 387 M HN 0.733 nan 8.290 nan 0.000 0.460 388 C N 4.960 124.271 119.300 0.017 0.000 2.341 388 C HA 0.737 5.197 4.460 0.001 0.000 0.338 388 C C -0.474 174.521 174.990 0.007 0.000 1.257 388 C CA -0.736 58.258 59.018 -0.039 0.000 1.883 388 C CB 0.580 28.061 27.740 -0.432 0.000 2.334 388 C HN 0.620 nan 8.230 nan 0.000 0.524 389 I N 2.712 123.386 120.570 0.173 0.000 2.499 389 I HA 0.432 4.602 4.170 0.001 0.000 0.288 389 I C -0.187 176.125 176.117 0.325 0.000 1.048 389 I CA -0.218 61.186 61.300 0.173 0.000 1.062 389 I CB 1.579 39.642 38.000 0.104 0.000 1.238 389 I HN 0.749 nan 8.210 nan 0.000 0.426 390 E N 3.765 124.131 120.200 0.277 0.000 2.199 390 E HA 0.452 4.803 4.350 0.001 0.000 0.269 390 E C -0.323 176.346 176.600 0.116 0.000 0.899 390 E CA -0.489 56.064 56.400 0.255 0.000 0.772 390 E CB 1.577 31.478 29.700 0.334 0.000 1.155 390 E HN 0.657 nan 8.360 nan 0.000 0.408 391 S N 3.970 119.709 115.700 0.065 0.000 2.562 391 S HA 0.256 4.726 4.470 0.001 0.000 0.281 391 S C 0.325 174.942 174.600 0.029 0.000 1.333 391 S CA -0.623 57.593 58.200 0.027 0.000 1.052 391 S CB 0.466 63.669 63.200 0.004 0.000 0.884 391 S HN 0.456 nan 8.310 nan 0.000 0.506 392 L N 0.000 121.233 121.223 0.017 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.016 0.000 0.813 392 L CB 0.000 42.066 42.059 0.013 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502