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 2iyf_1_B DATA FIRST_RESID 5 DATA SEQUENCE TPAHIAMFSI AAHGHVNPSL EVIRELVARG HRVTYAIPPV FADKVAATGP DATA SEQUENCE RPVLYHSTLP GPDADPEAWG STLLDNVEPF LNDAIQALPQ LADAYADDIP DATA SEQUENCE DLVLHDITSY PARVLARRWG VPAVSLSPNL VAWKGYEEEV AEPMWREPRQ DATA SEQUENCE TERGRAYYAR FEAWLKENGI TEHPDTFASH PPRSLVLIPK ALQPHADRVD DATA SEQUENCE EDVYTFVGAC QGDRAEEGGW QRPAGAEKVV LVSLGSAFTK QPAFYRECVR DATA SEQUENCE AFGNLPGWHL VLQIGRKVTP AELGELPDNV EVHDWVPQLA ILRQADLFVT DATA SEQUENCE HAGAGGSQEG LATATPMIAV PQAVDQFGNA DMLQGLGVAR KLATEEATAD DATA SEQUENCE LLRETALALV DDPEVARRLR RIQAEMAQEG GTRRAADLIE AELP 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.719 174.700 0.032 0.000 1.109 5 T CA 0.000 62.110 62.100 0.017 0.000 1.349 5 T CB 0.000 68.878 68.868 0.017 0.000 0.612 6 P HA 0.590 nan 4.420 nan 0.000 0.270 6 P C -0.302 177.065 177.300 0.112 0.000 1.223 6 P CA -0.633 62.506 63.100 0.065 0.000 0.785 6 P CB 0.125 31.856 31.700 0.051 0.000 0.923 7 A N 1.394 124.322 122.820 0.180 0.000 2.462 7 A HA 0.173 4.493 4.320 0.001 0.000 0.243 7 A C -0.054 177.659 177.584 0.214 0.000 1.076 7 A CA 0.019 52.164 52.037 0.179 0.000 0.773 7 A CB -0.334 18.774 19.000 0.179 0.000 1.010 7 A HN 0.696 nan 8.150 nan 0.000 0.493 8 H N 2.087 121.189 119.070 0.054 0.000 2.597 8 H HA 0.559 5.116 4.556 0.001 0.000 0.303 8 H C -0.981 174.366 175.328 0.033 0.000 1.057 8 H CA -0.951 55.127 56.048 0.050 0.000 1.261 8 H CB 0.039 29.822 29.762 0.036 0.000 1.397 8 H HN 0.442 nan 8.280 nan 0.000 0.461 9 I N 4.614 125.284 120.570 0.167 0.000 2.355 9 I HA 0.417 4.588 4.170 0.001 0.000 0.288 9 I C -0.151 175.970 176.117 0.007 0.000 0.999 9 I CA -0.856 60.440 61.300 -0.008 0.000 1.163 9 I CB 1.447 39.425 38.000 -0.037 0.000 1.316 9 I HN 0.676 nan 8.210 nan 0.000 0.454 10 A N 7.348 130.111 122.820 -0.094 0.000 2.258 10 A HA 0.700 5.021 4.320 0.001 0.000 0.316 10 A C -0.491 177.113 177.584 0.034 0.000 1.279 10 A CA -0.510 51.497 52.037 -0.051 0.000 0.876 10 A CB 0.921 19.783 19.000 -0.230 0.000 1.170 10 A HN 0.674 nan 8.150 nan 0.000 0.520 11 M N 2.981 122.515 119.600 -0.110 0.000 2.318 11 M HA 0.761 5.242 4.480 0.001 0.000 0.347 11 M C -1.828 174.330 176.300 -0.237 0.000 1.175 11 M CA -0.821 54.367 55.300 -0.186 0.000 1.075 11 M CB 0.027 32.262 32.600 -0.608 0.000 1.614 11 M HN 0.433 nan 8.290 nan 0.000 0.456 12 F N 2.277 122.189 119.950 -0.064 0.000 2.540 12 F HA 0.775 5.302 4.527 0.001 0.000 0.317 12 F C 0.181 176.107 175.800 0.209 0.000 1.104 12 F CA -0.416 57.660 58.000 0.127 0.000 0.913 12 F CB 2.031 41.090 39.000 0.099 0.000 1.170 12 F HN 0.687 nan 8.300 nan 0.000 0.450 13 S N 2.068 118.115 115.700 0.578 0.000 2.843 13 S HA 0.832 5.303 4.470 0.001 0.000 0.301 13 S C -1.347 173.558 174.600 0.509 0.000 1.206 13 S CA -0.600 57.909 58.200 0.515 0.000 0.875 13 S CB 1.083 64.622 63.200 0.564 0.000 1.248 13 S HN 0.561 nan 8.310 nan 0.000 0.555 14 I N -0.709 120.088 120.570 0.380 0.000 3.002 14 I HA 0.909 5.079 4.170 0.001 0.000 0.310 14 I C -0.240 175.937 176.117 0.100 0.000 1.087 14 I CA -1.362 60.088 61.300 0.249 0.000 1.017 14 I CB 1.963 40.103 38.000 0.235 0.000 1.226 14 I HN 0.591 nan 8.210 nan 0.000 0.443 15 A N 3.258 125.977 122.820 -0.169 0.000 2.990 15 A HA 0.745 5.065 4.320 0.001 0.000 0.282 15 A C 0.162 177.349 177.584 -0.661 0.000 1.688 15 A CA 0.058 51.647 52.037 -0.747 0.000 1.391 15 A CB -1.356 17.119 19.000 -0.874 0.000 1.112 15 A HN 1.021 nan 8.150 nan 0.000 0.588 16 A N 0.745 123.431 122.820 -0.224 0.000 2.427 16 A HA 0.594 4.914 4.320 0.001 0.000 0.298 16 A C 0.230 177.984 177.584 0.283 0.000 1.036 16 A CA -0.585 51.478 52.037 0.045 0.000 0.701 16 A CB 0.418 19.554 19.000 0.225 0.000 1.250 16 A HN 0.714 nan 8.150 nan 0.000 0.412 17 H N 2.133 121.442 119.070 0.398 0.000 2.352 17 H HA -0.108 4.449 4.556 0.000 0.000 0.299 17 H C 2.204 177.634 175.328 0.171 0.000 1.097 17 H CA 2.514 58.771 56.048 0.349 0.000 1.311 17 H CB 0.346 30.254 29.762 0.243 0.000 1.377 17 H HN 0.756 nan 8.280 nan 0.000 0.504 18 G N -0.801 108.090 108.800 0.152 0.000 2.625 18 G HA2 -0.188 3.772 3.960 0.001 0.000 0.214 18 G HA3 -0.188 3.772 3.960 0.001 0.000 0.214 18 G C 0.856 175.575 174.900 -0.302 0.000 1.132 18 G CA 0.637 45.674 45.100 -0.105 0.000 0.782 18 G HN 0.509 nan 8.290 nan 0.000 0.538 19 H N -1.324 117.842 119.070 0.160 0.000 2.893 19 H HA 0.322 4.878 4.556 0.000 0.000 0.270 19 H C 1.477 176.943 175.328 0.230 0.000 1.095 19 H CA 0.050 56.196 56.048 0.162 0.000 1.186 19 H CB 1.068 30.917 29.762 0.145 0.000 1.562 19 H HN 0.258 nan 8.280 nan 0.000 0.536 20 V N 0.160 120.269 119.914 0.324 0.000 2.996 20 V HA -0.064 4.057 4.120 0.001 0.000 0.235 20 V C 1.865 178.085 176.094 0.209 0.000 1.205 20 V CA 0.358 62.850 62.300 0.320 0.000 1.225 20 V CB 0.214 32.236 31.823 0.331 0.000 0.995 20 V HN 0.229 nan 8.190 nan 0.000 0.484 21 N N 0.936 119.735 118.700 0.166 0.000 2.104 21 N HA -0.122 4.618 4.740 0.001 0.000 0.190 21 N C -0.590 174.980 175.510 0.099 0.000 1.024 21 N CA 1.861 54.979 53.050 0.114 0.000 0.853 21 N CB -1.548 37.005 38.487 0.110 0.000 1.008 21 N HN 0.365 nan 8.380 nan 0.000 0.424 22 P HA -0.090 nan 4.420 nan 0.000 0.216 22 P C 1.147 178.494 177.300 0.078 0.000 1.150 22 P CA 1.589 64.731 63.100 0.071 0.000 0.843 22 P CB -0.015 31.718 31.700 0.055 0.000 0.787 23 S N -3.077 112.685 115.700 0.104 0.000 2.559 23 S HA 0.128 4.599 4.470 0.001 0.000 0.226 23 S C 1.510 176.180 174.600 0.117 0.000 1.000 23 S CA -0.317 57.941 58.200 0.096 0.000 0.948 23 S CB -0.801 62.452 63.200 0.088 0.000 0.870 23 S HN -0.118 nan 8.310 nan 0.000 0.497 24 L N 2.526 123.827 121.223 0.130 0.000 2.079 24 L HA 0.028 4.369 4.340 0.001 0.000 0.210 24 L C 2.382 179.315 176.870 0.106 0.000 1.081 24 L CA 1.861 56.785 54.840 0.139 0.000 0.752 24 L CB -0.713 41.404 42.059 0.096 0.000 0.896 24 L HN 0.252 nan 8.230 nan 0.000 0.433 25 E N -0.938 119.310 120.200 0.080 0.000 2.150 25 E HA -0.109 4.241 4.350 0.001 0.000 0.193 25 E C 2.330 178.971 176.600 0.067 0.000 0.985 25 E CA 1.091 57.531 56.400 0.067 0.000 0.814 25 E CB -0.357 29.376 29.700 0.055 0.000 0.752 25 E HN 0.364 nan 8.360 nan 0.000 0.466 26 V N 1.863 121.817 119.914 0.066 0.000 2.343 26 V HA -0.234 3.887 4.120 0.001 0.000 0.247 26 V C 2.349 178.483 176.094 0.066 0.000 1.051 26 V CA 1.194 63.528 62.300 0.057 0.000 1.036 26 V CB -0.413 31.434 31.823 0.040 0.000 0.654 26 V HN 0.196 nan 8.190 nan 0.000 0.451 27 I N 0.099 120.721 120.570 0.085 0.000 2.179 27 I HA -0.209 3.961 4.170 0.001 0.000 0.242 27 I C 2.590 178.774 176.117 0.111 0.000 1.088 27 I CA 1.673 63.036 61.300 0.104 0.000 1.357 27 I CB -1.305 36.797 38.000 0.170 0.000 1.051 27 I HN 0.327 nan 8.210 nan 0.000 0.409 28 R N 0.900 121.461 120.500 0.102 0.000 2.083 28 R HA -0.256 4.084 4.340 0.001 0.000 0.237 28 R C 2.267 178.614 176.300 0.078 0.000 1.137 28 R CA 2.073 58.223 56.100 0.084 0.000 0.951 28 R CB -0.114 30.226 30.300 0.067 0.000 0.851 28 R HN 0.250 nan 8.270 nan 0.000 0.434 29 E N 0.581 120.826 120.200 0.076 0.000 2.077 29 E HA -0.160 4.190 4.350 0.001 0.000 0.193 29 E C 1.988 178.651 176.600 0.105 0.000 0.989 29 E CA 1.385 57.830 56.400 0.075 0.000 0.800 29 E CB -0.273 29.466 29.700 0.066 0.000 0.746 29 E HN 0.408 nan 8.360 nan 0.000 0.452 30 L N -0.517 120.782 121.223 0.127 0.000 2.083 30 L HA -0.165 4.175 4.340 0.001 0.000 0.209 30 L C 2.408 179.416 176.870 0.230 0.000 1.083 30 L CA 0.822 55.794 54.840 0.219 0.000 0.752 30 L CB -0.370 41.770 42.059 0.136 0.000 0.899 30 L HN 0.097 nan 8.230 nan 0.000 0.433 31 V N -0.080 119.920 119.914 0.144 0.000 2.307 31 V HA -0.261 3.859 4.120 0.001 0.000 0.245 31 V C 2.759 178.893 176.094 0.066 0.000 1.045 31 V CA 1.721 64.087 62.300 0.110 0.000 1.024 31 V CB -0.895 30.984 31.823 0.094 0.000 0.651 31 V HN 0.476 nan 8.190 nan 0.000 0.449 32 A N 0.165 123.021 122.820 0.059 0.000 1.986 32 A HA -0.247 4.073 4.320 0.001 0.000 0.220 32 A C 2.262 179.851 177.584 0.009 0.000 1.171 32 A CA 1.811 53.868 52.037 0.033 0.000 0.640 32 A CB -0.520 18.502 19.000 0.037 0.000 0.811 32 A HN 0.560 nan 8.150 nan 0.000 0.451 33 R N -1.450 119.055 120.500 0.009 0.000 2.323 33 R HA 0.182 4.522 4.340 0.001 0.000 0.198 33 R C 1.263 177.439 176.300 -0.208 0.000 0.988 33 R CA 0.519 56.578 56.100 -0.069 0.000 1.041 33 R CB -0.173 30.114 30.300 -0.023 0.000 0.926 33 R HN 0.727 nan 8.270 nan 0.000 0.476 34 G N 0.746 109.468 108.800 -0.131 0.000 2.157 34 G HA2 -0.234 3.726 3.960 0.001 0.000 0.239 34 G HA3 -0.234 3.726 3.960 0.001 0.000 0.239 34 G C -0.076 174.745 174.900 -0.132 0.000 0.982 34 G CA -0.323 44.702 45.100 -0.126 0.000 0.650 34 G HN 0.381 nan 8.290 nan 0.000 0.527 35 H N -0.056 119.037 119.070 0.039 0.000 2.690 35 H HA 0.317 4.874 4.556 0.001 0.000 0.365 35 H C 0.934 176.296 175.328 0.058 0.000 1.142 35 H CA 0.191 56.270 56.048 0.050 0.000 1.417 35 H CB 0.740 30.537 29.762 0.057 0.000 1.446 35 H HN 0.343 nan 8.280 nan 0.000 0.599 36 R N 2.028 122.650 120.500 0.202 0.000 2.220 36 R HA 0.294 4.634 4.340 0.001 0.000 0.340 36 R C -1.336 175.092 176.300 0.213 0.000 1.076 36 R CA -0.395 55.785 56.100 0.133 0.000 0.920 36 R CB -0.063 30.263 30.300 0.043 0.000 1.062 36 R HN 0.257 nan 8.270 nan 0.000 0.469 37 V N 4.748 124.772 119.914 0.184 0.000 2.384 37 V HA 0.317 4.438 4.120 0.001 0.000 0.287 37 V C 0.241 176.459 176.094 0.207 0.000 1.020 37 V CA -0.706 61.716 62.300 0.203 0.000 0.850 37 V CB 1.633 33.550 31.823 0.157 0.000 0.987 37 V HN 0.925 nan 8.190 nan 0.000 0.436 38 T N 1.393 116.116 114.554 0.281 0.000 2.945 38 T HA 0.678 5.028 4.350 0.001 0.000 0.286 38 T C -1.071 173.770 174.700 0.235 0.000 1.025 38 T CA -0.690 61.571 62.100 0.269 0.000 1.039 38 T CB 1.899 70.998 68.868 0.385 0.000 1.068 38 T HN 0.451 nan 8.240 nan 0.000 0.497 39 Y N 0.979 121.331 120.300 0.086 0.000 2.344 39 Y HA 0.568 5.118 4.550 0.001 0.000 0.328 39 Y C -0.242 175.686 175.900 0.046 0.000 1.067 39 Y CA -1.769 56.364 58.100 0.054 0.000 1.247 39 Y CB 0.687 39.198 38.460 0.085 0.000 1.113 39 Y HN 1.118 nan 8.280 nan 0.000 0.465 40 A N 5.871 128.810 122.820 0.198 0.000 2.484 40 A HA 0.522 4.842 4.320 0.001 0.000 0.268 40 A C -0.797 177.123 177.584 0.561 0.000 1.114 40 A CA 0.293 52.463 52.037 0.222 0.000 0.780 40 A CB -0.413 18.443 19.000 -0.241 0.000 1.061 40 A HN 0.661 nan 8.150 nan 0.000 0.505 41 I N 3.741 124.619 120.570 0.514 0.000 2.841 41 I HA 0.527 4.697 4.170 0.001 0.000 0.298 41 I C -2.769 173.302 176.117 -0.077 0.000 1.304 41 I CA -2.045 59.436 61.300 0.301 0.000 1.019 41 I CB 2.696 40.754 38.000 0.096 0.000 1.282 41 I HN 0.341 nan 8.210 nan 0.000 0.432 42 P HA 0.321 nan 4.420 nan 0.000 0.272 42 P C -2.332 174.861 177.300 -0.179 0.000 1.223 42 P CA -1.089 61.736 63.100 -0.458 0.000 0.784 42 P CB 0.169 31.568 31.700 -0.502 0.000 0.923 43 P HA -0.137 nan 4.420 nan 0.000 0.220 43 P C 1.493 178.788 177.300 -0.007 0.000 1.148 43 P CA 0.709 63.785 63.100 -0.041 0.000 0.803 43 P CB -0.107 31.579 31.700 -0.024 0.000 0.782 44 V N -1.418 118.477 119.914 -0.032 0.000 2.469 44 V HA -0.177 3.944 4.120 0.001 0.000 0.251 44 V C 1.345 177.564 176.094 0.207 0.000 1.064 44 V CA 1.741 64.060 62.300 0.031 0.000 1.066 44 V CB -1.012 30.783 31.823 -0.046 0.000 0.667 44 V HN -0.053 nan 8.190 nan 0.000 0.461 45 F N 0.189 120.079 119.950 -0.101 0.000 2.645 45 F HA 0.503 5.030 4.527 0.000 0.000 0.300 45 F C 1.841 177.564 175.800 -0.130 0.000 1.115 45 F CA -0.262 57.668 58.000 -0.116 0.000 1.355 45 F CB -0.891 38.023 39.000 -0.145 0.000 1.026 45 F HN 0.213 nan 8.300 nan 0.000 0.536 46 A N -0.154 122.700 122.820 0.057 0.000 1.877 46 A HA -0.173 4.147 4.320 0.001 0.000 0.216 46 A C 2.130 179.692 177.584 -0.038 0.000 1.186 46 A CA 2.021 54.054 52.037 -0.007 0.000 0.620 46 A CB -0.482 18.521 19.000 0.005 0.000 0.822 46 A HN 0.186 nan 8.150 nan 0.000 0.443 47 D N -0.533 119.852 120.400 -0.025 0.000 2.117 47 D HA -0.147 4.494 4.640 0.001 0.000 0.197 47 D C 1.906 178.155 176.300 -0.085 0.000 0.987 47 D CA 1.524 55.499 54.000 -0.040 0.000 0.829 47 D CB -0.257 40.530 40.800 -0.022 0.000 0.961 47 D HN 0.601 nan 8.370 nan 0.000 0.460 48 K N 0.873 121.186 120.400 -0.146 0.000 2.063 48 K HA -0.145 4.175 4.320 0.001 0.000 0.208 48 K C 1.997 178.467 176.600 -0.218 0.000 1.048 48 K CA 1.586 57.727 56.287 -0.243 0.000 0.928 48 K CB 0.064 32.243 32.500 -0.534 0.000 0.713 48 K HN 0.176 nan 8.250 nan 0.000 0.442 49 V N -2.111 117.654 119.914 -0.248 0.000 2.649 49 V HA 0.108 4.228 4.120 0.001 0.000 0.248 49 V C 2.178 178.215 176.094 -0.094 0.000 1.054 49 V CA 1.296 63.434 62.300 -0.269 0.000 1.073 49 V CB -0.531 30.873 31.823 -0.697 0.000 0.699 49 V HN 0.283 nan 8.190 nan 0.000 0.463 50 A N 0.842 123.622 122.820 -0.067 0.000 2.015 50 A HA 0.176 4.496 4.320 0.001 0.000 0.219 50 A C 2.423 180.005 177.584 -0.003 0.000 1.163 50 A CA 1.749 53.778 52.037 -0.013 0.000 0.646 50 A CB -0.909 18.083 19.000 -0.012 0.000 0.806 50 A HN 1.012 nan 8.150 nan 0.000 0.448 51 A N -0.043 122.764 122.820 -0.022 0.000 2.076 51 A HA -0.098 4.223 4.320 0.001 0.000 0.220 51 A C 2.233 179.823 177.584 0.010 0.000 1.160 51 A CA 2.170 54.200 52.037 -0.012 0.000 0.653 51 A CB -1.153 17.829 19.000 -0.030 0.000 0.801 51 A HN 0.792 nan 8.150 nan 0.000 0.455 52 T N -4.870 109.701 114.554 0.029 0.000 3.113 52 T HA 0.377 4.727 4.350 0.001 0.000 0.256 52 T C 1.518 176.256 174.700 0.064 0.000 1.131 52 T CA 1.084 63.219 62.100 0.058 0.000 1.074 52 T CB 0.028 68.957 68.868 0.102 0.000 0.944 52 T HN 1.636 nan 8.240 nan 0.000 0.516 53 G N 1.033 109.865 108.800 0.053 0.000 2.225 53 G HA2 -0.121 3.840 3.960 0.001 0.000 0.254 53 G HA3 -0.121 3.840 3.960 0.001 0.000 0.254 53 G C -0.470 174.474 174.900 0.074 0.000 0.988 53 G CA -0.057 45.076 45.100 0.054 0.000 0.625 53 G HN 0.933 nan 8.290 nan 0.000 0.527 54 P HA 0.633 nan 4.420 nan 0.000 0.272 54 P C 0.069 177.438 177.300 0.114 0.000 1.223 54 P CA 0.816 64.002 63.100 0.143 0.000 0.784 54 P CB 0.295 32.139 31.700 0.240 0.000 0.923 55 R N 3.730 124.297 120.500 0.112 0.000 2.202 55 R HA 0.402 4.743 4.340 0.001 0.000 0.334 55 R C -2.537 173.824 176.300 0.102 0.000 1.036 55 R CA -1.463 54.683 56.100 0.077 0.000 0.878 55 R CB 0.606 30.932 30.300 0.043 0.000 1.067 55 R HN 0.288 nan 8.270 nan 0.000 0.457 56 P HA 0.032 nan 4.420 nan 0.000 0.271 56 P C -1.173 176.169 177.300 0.071 0.000 1.218 56 P CA -0.313 62.837 63.100 0.084 0.000 0.780 56 P CB 1.061 32.780 31.700 0.032 0.000 0.901 57 V N 4.420 124.396 119.914 0.104 0.000 2.376 57 V HA 0.252 4.372 4.120 0.001 0.000 0.287 57 V C 0.133 176.318 176.094 0.153 0.000 1.015 57 V CA -0.532 61.804 62.300 0.061 0.000 0.834 57 V CB 0.968 32.772 31.823 -0.032 0.000 1.001 57 V HN 0.380 nan 8.190 nan 0.000 0.428 58 L N 6.182 127.477 121.223 0.120 0.000 2.349 58 L HA 0.561 4.901 4.340 0.001 0.000 0.275 58 L C -0.430 176.590 176.870 0.250 0.000 1.115 58 L CA -0.383 54.538 54.840 0.135 0.000 0.820 58 L CB 0.632 42.730 42.059 0.064 0.000 1.135 58 L HN 0.777 nan 8.230 nan 0.000 0.445 59 Y N -0.172 120.184 120.300 0.094 0.000 2.562 59 Y HA 0.457 5.007 4.550 0.001 0.000 0.345 59 Y C -0.500 175.466 175.900 0.110 0.000 1.045 59 Y CA -1.560 56.611 58.100 0.117 0.000 1.028 59 Y CB 0.775 39.323 38.460 0.148 0.000 1.297 59 Y HN 0.525 nan 8.280 nan 0.000 0.463 60 H N 1.517 120.623 119.070 0.060 0.000 2.722 60 H HA 0.493 5.049 4.556 0.001 0.000 0.328 60 H C -0.676 174.624 175.328 -0.046 0.000 1.067 60 H CA 0.535 56.554 56.048 -0.047 0.000 1.447 60 H CB 1.081 30.851 29.762 0.013 0.000 1.469 60 H HN 0.782 nan 8.280 nan 0.000 0.544 61 S N 2.462 117.701 115.700 -0.769 0.000 2.501 61 S HA 0.239 4.709 4.470 0.001 0.000 0.301 61 S C 0.761 174.955 174.600 -0.678 0.000 1.096 61 S CA -0.129 57.742 58.200 -0.549 0.000 1.063 61 S CB 0.745 63.690 63.200 -0.425 0.000 1.042 61 S HN 0.885 nan 8.310 nan 0.000 0.494 62 T N 2.496 116.823 114.554 -0.378 0.000 3.069 62 T HA 0.367 4.717 4.350 0.001 0.000 0.252 62 T C 0.569 175.088 174.700 -0.300 0.000 1.053 62 T CA -0.206 61.724 62.100 -0.283 0.000 0.964 62 T CB -0.452 68.326 68.868 -0.150 0.000 1.005 62 T HN 0.450 nan 8.240 nan 0.000 0.532 63 L N 1.754 122.777 121.223 -0.334 0.000 2.453 63 L HA 0.407 4.748 4.340 0.001 0.000 0.261 63 L C -1.915 174.641 176.870 -0.524 0.000 1.179 63 L CA -2.330 52.236 54.840 -0.457 0.000 0.813 63 L CB -0.169 41.685 42.059 -0.342 0.000 1.110 63 L HN -0.006 nan 8.230 nan 0.000 0.466 64 P HA 0.022 nan 4.420 nan 0.000 0.267 64 P C -0.050 177.018 177.300 -0.388 0.000 1.201 64 P CA -0.137 62.536 63.100 -0.711 0.000 0.775 64 P CB 0.349 31.296 31.700 -1.255 0.000 0.854 65 G N 2.612 111.273 108.800 -0.232 0.000 2.634 65 G HA2 0.178 4.139 3.960 0.001 0.000 0.255 65 G HA3 0.178 4.139 3.960 0.001 0.000 0.255 65 G C -1.430 173.455 174.900 -0.026 0.000 1.205 65 G CA -0.882 44.132 45.100 -0.144 0.000 0.884 65 G HN 0.348 nan 8.290 nan 0.000 0.549 66 P HA -0.035 nan 4.420 nan 0.000 0.222 66 P C 0.445 177.866 177.300 0.202 0.000 1.147 66 P CA 1.025 64.105 63.100 -0.033 0.000 0.790 66 P CB 0.396 31.890 31.700 -0.343 0.000 0.780 67 D N -0.669 119.822 120.400 0.152 0.000 2.349 67 D HA 0.180 4.820 4.640 0.001 0.000 0.214 67 D C 0.881 177.258 176.300 0.129 0.000 1.063 67 D CA -0.036 54.063 54.000 0.164 0.000 0.847 67 D CB 0.014 40.891 40.800 0.128 0.000 0.933 67 D HN 0.090 nan 8.370 nan 0.000 0.513 68 A N 1.026 123.919 122.820 0.122 0.000 2.483 68 A HA 0.382 4.702 4.320 0.001 0.000 0.238 68 A C 0.636 178.320 177.584 0.167 0.000 1.070 68 A CA 0.327 52.418 52.037 0.090 0.000 0.770 68 A CB -0.131 18.865 19.000 -0.007 0.000 1.008 68 A HN 0.278 nan 8.150 nan 0.000 0.497 69 D N 2.784 123.257 120.400 0.122 0.000 2.362 69 D HA 0.391 5.032 4.640 0.001 0.000 0.242 69 D C -1.098 175.337 176.300 0.226 0.000 1.132 69 D CA -0.775 53.315 54.000 0.149 0.000 0.907 69 D CB -0.210 nan 40.800 nan 0.000 1.195 69 D HN 0.460 nan 8.370 nan 0.000 0.429 70 P HA -0.159 nan 4.420 nan 0.000 0.217 70 P C 1.383 178.860 177.300 0.295 0.000 1.148 70 P CA 2.122 65.403 63.100 0.302 0.000 0.834 70 P CB -0.081 31.740 31.700 0.201 0.000 0.783 71 E N -0.108 120.201 120.200 0.182 0.000 2.418 71 E HA 0.058 4.409 4.350 0.001 0.000 0.197 71 E C 2.056 178.705 176.600 0.082 0.000 1.026 71 E CA 1.011 57.484 56.400 0.123 0.000 0.862 71 E CB -1.226 28.521 29.700 0.079 0.000 0.799 71 E HN 0.367 nan 8.360 nan 0.000 0.518 72 A N -0.681 122.175 122.820 0.060 0.000 2.066 72 A HA 0.091 4.411 4.320 0.001 0.000 0.218 72 A C 1.677 179.148 177.584 -0.189 0.000 1.157 72 A CA 0.955 52.923 52.037 -0.114 0.000 0.670 72 A CB -0.610 18.247 19.000 -0.238 0.000 0.804 72 A HN 0.672 nan 8.150 nan 0.000 0.453 73 W N -0.458 120.844 121.300 0.003 0.000 3.316 73 W HA 0.436 5.097 4.660 0.001 0.000 0.327 73 W C 1.133 177.663 176.519 0.018 0.000 1.232 73 W CA 0.896 58.244 57.345 0.006 0.000 1.805 73 W CB 0.046 29.540 29.460 0.056 0.000 1.090 73 W HN 0.589 nan 8.180 nan 0.000 0.654 74 G N 0.209 109.111 108.800 0.171 0.000 2.699 74 G HA2 -0.164 3.797 3.960 0.001 0.000 0.686 74 G HA3 -0.164 3.797 3.960 0.001 0.000 0.686 74 G C 0.166 175.130 174.900 0.105 0.000 1.301 74 G CA -0.208 44.956 45.100 0.108 0.000 0.816 74 G HN -0.022 nan 8.290 nan 0.000 0.595 75 S N -1.135 114.601 115.700 0.060 0.000 2.666 75 S HA 0.450 4.921 4.470 0.001 0.000 0.239 75 S C 1.200 175.809 174.600 0.016 0.000 1.031 75 S CA 1.503 59.729 58.200 0.044 0.000 1.015 75 S CB -0.101 63.119 63.200 0.033 0.000 0.981 75 S HN 1.851 nan 8.310 nan 0.000 0.547 76 T N -0.504 114.052 114.554 0.004 0.000 2.952 76 T HA 0.515 4.865 4.350 0.001 0.000 0.286 76 T C 1.071 175.736 174.700 -0.058 0.000 1.024 76 T CA -0.653 61.428 62.100 -0.032 0.000 1.029 76 T CB 1.017 69.864 68.868 -0.035 0.000 1.094 76 T HN -0.001 nan 8.240 nan 0.000 0.515 77 L N 0.945 122.086 121.223 -0.138 0.000 1.990 77 L HA 0.018 4.358 4.340 0.001 0.000 0.213 77 L C 2.278 179.032 176.870 -0.193 0.000 1.072 77 L CA 1.726 56.423 54.840 -0.238 0.000 0.755 77 L CB -1.151 40.603 42.059 -0.508 0.000 0.889 77 L HN 0.828 nan 8.230 nan 0.000 0.432 78 L N -0.854 120.266 121.223 -0.171 0.000 2.093 78 L HA -0.178 4.163 4.340 0.001 0.000 0.208 78 L C 2.175 179.013 176.870 -0.052 0.000 1.085 78 L CA 1.085 55.862 54.840 -0.106 0.000 0.755 78 L CB -0.667 41.368 42.059 -0.039 0.000 0.904 78 L HN 0.289 nan 8.230 nan 0.000 0.435 79 D N -0.253 120.135 120.400 -0.021 0.000 2.178 79 D HA -0.154 4.486 4.640 0.001 0.000 0.201 79 D C 1.887 178.231 176.300 0.072 0.000 0.980 79 D CA 0.914 54.921 54.000 0.013 0.000 0.842 79 D CB -0.147 40.664 40.800 0.019 0.000 0.948 79 D HN 0.283 nan 8.370 nan 0.000 0.472 80 N N -0.027 118.734 118.700 0.101 0.000 2.135 80 N HA -0.103 4.637 4.740 0.001 0.000 0.186 80 N C 2.079 177.804 175.510 0.359 0.000 1.027 80 N CA 1.284 54.473 53.050 0.230 0.000 0.849 80 N CB -0.272 38.319 38.487 0.173 0.000 1.002 80 N HN 0.262 nan 8.380 nan 0.000 0.425 81 V N -0.849 119.216 119.914 0.251 0.000 2.599 81 V HA 0.088 4.208 4.120 0.001 0.000 0.245 81 V C 2.059 178.353 176.094 0.332 0.000 1.046 81 V CA 1.231 63.764 62.300 0.388 0.000 1.065 81 V CB -0.575 31.466 31.823 0.364 0.000 0.703 81 V HN 0.088 nan 8.190 nan 0.000 0.464 82 E N 1.566 121.789 120.200 0.037 0.000 2.085 82 E HA -0.159 4.192 4.350 0.001 0.000 0.194 82 E C -0.083 176.562 176.600 0.075 0.000 0.994 82 E CA 2.119 58.521 56.400 0.004 0.000 0.801 82 E CB -1.040 28.605 29.700 -0.091 0.000 0.743 82 E HN 0.558 nan 8.360 nan 0.000 0.453 83 P HA -0.147 nan 4.420 nan 0.000 0.218 83 P C 0.535 177.693 177.300 -0.236 0.000 1.148 83 P CA 1.201 64.187 63.100 -0.189 0.000 0.822 83 P CB -0.100 31.398 31.700 -0.336 0.000 0.784 84 F N -1.452 118.507 119.950 0.014 0.000 2.234 84 F HA -0.093 4.434 4.527 0.001 0.000 0.299 84 F C 2.156 177.865 175.800 -0.152 0.000 1.087 84 F CA 0.682 58.607 58.000 -0.124 0.000 1.340 84 F CB -1.101 37.769 39.000 -0.216 0.000 1.031 84 F HN -0.128 nan 8.300 nan 0.000 0.500 85 L N 0.447 121.772 121.223 0.170 0.000 2.044 85 L HA -0.127 4.213 4.340 0.001 0.000 0.205 85 L C 2.017 178.695 176.870 -0.321 0.000 1.075 85 L CA 1.799 56.561 54.840 -0.130 0.000 0.747 85 L CB -0.915 40.978 42.059 -0.276 0.000 0.903 85 L HN -0.049 nan 8.230 nan 0.000 0.435 86 N N -0.141 118.442 118.700 -0.194 0.000 2.188 86 N HA -0.190 4.550 4.740 0.001 0.000 0.184 86 N C 1.543 176.931 175.510 -0.204 0.000 1.018 86 N CA 1.446 54.369 53.050 -0.212 0.000 0.858 86 N CB -0.386 38.021 38.487 -0.132 0.000 0.989 86 N HN 0.466 nan 8.380 nan 0.000 0.426 87 D N 0.645 120.942 120.400 -0.171 0.000 2.123 87 D HA -0.038 4.602 4.640 0.001 0.000 0.196 87 D C 1.758 177.998 176.300 -0.100 0.000 0.992 87 D CA 1.325 55.254 54.000 -0.118 0.000 0.833 87 D CB -0.088 40.643 40.800 -0.115 0.000 0.954 87 D HN 0.226 nan 8.370 nan 0.000 0.455 88 A N 0.101 122.817 122.820 -0.173 0.000 1.933 88 A HA -0.111 4.209 4.320 0.001 0.000 0.218 88 A C 2.425 179.843 177.584 -0.276 0.000 1.175 88 A CA 1.101 53.038 52.037 -0.166 0.000 0.628 88 A CB -0.760 18.158 19.000 -0.136 0.000 0.814 88 A HN 0.385 nan 8.150 nan 0.000 0.444 89 I N -0.645 119.581 120.570 -0.573 0.000 2.286 89 I HA -0.252 3.919 4.170 0.001 0.000 0.248 89 I C 2.813 178.865 176.117 -0.108 0.000 1.115 89 I CA 1.538 62.522 61.300 -0.528 0.000 1.392 89 I CB -0.276 37.329 38.000 -0.658 0.000 1.065 89 I HN 0.455 nan 8.210 nan 0.000 0.418 90 Q N 1.404 121.157 119.800 -0.079 0.000 2.083 90 Q HA -0.145 4.195 4.340 0.001 0.000 0.198 90 Q C 2.240 178.299 176.000 0.097 0.000 0.969 90 Q CA 2.018 57.834 55.803 0.022 0.000 0.838 90 Q CB -0.005 28.740 28.738 0.010 0.000 0.900 90 Q HN 0.498 nan 8.270 nan 0.000 0.436 91 A N 0.911 123.789 122.820 0.096 0.000 1.930 91 A HA -0.091 4.229 4.320 0.001 0.000 0.215 91 A C 2.087 179.725 177.584 0.091 0.000 1.176 91 A CA 0.966 53.077 52.037 0.123 0.000 0.632 91 A CB -0.635 18.394 19.000 0.048 0.000 0.819 91 A HN 0.398 nan 8.150 nan 0.000 0.445 92 L N 1.032 122.334 121.223 0.131 0.000 1.978 92 L HA -0.126 4.215 4.340 0.001 0.000 0.218 92 L C -0.562 176.393 176.870 0.142 0.000 1.075 92 L CA 2.982 57.921 54.840 0.165 0.000 0.767 92 L CB -1.271 40.979 42.059 0.319 0.000 0.890 92 L HN 0.221 nan 8.230 nan 0.000 0.434 93 P HA -0.224 nan 4.420 nan 0.000 0.215 93 P C 1.486 178.874 177.300 0.146 0.000 1.153 93 P CA 1.681 64.860 63.100 0.131 0.000 0.853 93 P CB -0.185 31.583 31.700 0.114 0.000 0.788 94 Q N -0.494 119.399 119.800 0.155 0.000 2.096 94 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 94 Q C 2.427 178.549 176.000 0.204 0.000 0.982 94 Q CA 1.278 57.187 55.803 0.176 0.000 0.850 94 Q CB -0.557 28.314 28.738 0.222 0.000 0.901 94 Q HN 0.316 nan 8.270 nan 0.000 0.422 95 L N -0.398 120.957 121.223 0.221 0.000 2.162 95 L HA -0.020 4.321 4.340 0.001 0.000 0.205 95 L C 2.498 179.643 176.870 0.459 0.000 1.086 95 L CA 0.525 55.571 54.840 0.343 0.000 0.778 95 L CB -0.516 41.747 42.059 0.340 0.000 0.928 95 L HN 0.166 nan 8.230 nan 0.000 0.446 96 A N 0.291 123.307 122.820 0.327 0.000 1.908 96 A HA -0.250 4.070 4.320 0.001 0.000 0.218 96 A C 1.902 179.696 177.584 0.351 0.000 1.181 96 A CA 2.153 54.406 52.037 0.360 0.000 0.627 96 A CB -0.520 18.598 19.000 0.197 0.000 0.818 96 A HN 0.342 nan 8.150 nan 0.000 0.445 97 D N -0.123 120.422 120.400 0.242 0.000 2.144 97 D HA -0.000 4.640 4.640 0.001 0.000 0.200 97 D C 2.228 178.621 176.300 0.156 0.000 0.978 97 D CA 1.389 55.495 54.000 0.177 0.000 0.833 97 D CB -0.438 40.440 40.800 0.130 0.000 0.961 97 D HN 0.428 nan 8.370 nan 0.000 0.470 98 A N -0.132 122.785 122.820 0.163 0.000 1.902 98 A HA -0.184 4.136 4.320 0.001 0.000 0.217 98 A C 1.645 179.202 177.584 -0.045 0.000 1.181 98 A CA 1.127 53.178 52.037 0.023 0.000 0.623 98 A CB -0.825 18.146 19.000 -0.048 0.000 0.818 98 A HN 0.302 nan 8.150 nan 0.000 0.443 99 Y N -0.898 119.516 120.300 0.190 0.000 2.457 99 Y HA 0.352 4.902 4.550 0.001 0.000 0.263 99 Y C 2.389 178.305 175.900 0.027 0.000 1.164 99 Y CA -0.026 58.139 58.100 0.109 0.000 1.274 99 Y CB -0.047 38.503 38.460 0.150 0.000 1.097 99 Y HN 0.344 nan 8.280 nan 0.000 0.523 100 A N 0.146 123.094 122.820 0.214 0.000 1.927 100 A HA -0.219 4.101 4.320 0.001 0.000 0.220 100 A C 1.487 179.108 177.584 0.060 0.000 1.185 100 A CA 2.324 54.455 52.037 0.156 0.000 0.639 100 A CB -0.362 18.723 19.000 0.142 0.000 0.820 100 A HN 0.346 nan 8.150 nan 0.000 0.451 101 D N -1.427 118.997 120.400 0.040 0.000 2.424 101 D HA 0.175 4.815 4.640 0.001 0.000 0.220 101 D C -0.627 175.675 176.300 0.002 0.000 1.150 101 D CA 0.198 54.206 54.000 0.013 0.000 0.831 101 D CB 0.484 41.292 40.800 0.013 0.000 0.981 101 D HN 0.367 nan 8.370 nan 0.000 0.500 102 D N 0.880 121.287 120.400 0.011 0.000 3.220 102 D HA 0.156 4.796 4.640 0.001 0.000 0.309 102 D C -0.354 175.991 176.300 0.074 0.000 1.276 102 D CA -0.326 53.707 54.000 0.055 0.000 0.736 102 D CB 0.063 40.900 40.800 0.060 0.000 1.304 102 D HN -0.019 nan 8.370 nan 0.000 0.582 103 I N 2.614 123.077 120.570 -0.177 0.000 2.598 103 I HA 0.144 4.315 4.170 0.001 0.000 0.284 103 I C -1.516 174.380 176.117 -0.367 0.000 1.140 103 I CA -1.016 59.927 61.300 -0.595 0.000 1.420 103 I CB 0.571 38.129 38.000 -0.737 0.000 1.387 103 I HN 0.132 nan 8.210 nan 0.000 0.553 104 P HA 0.082 nan 4.420 nan 0.000 0.274 104 P C -0.353 176.811 177.300 -0.227 0.000 1.246 104 P CA -0.250 62.536 63.100 -0.524 0.000 0.795 104 P CB 1.004 32.233 31.700 -0.785 0.000 1.006 105 D N -0.373 119.955 120.400 -0.119 0.000 2.289 105 D HA 0.080 4.720 4.640 0.001 0.000 0.207 105 D C 0.550 176.829 176.300 -0.034 0.000 0.966 105 D CA 1.022 54.998 54.000 -0.040 0.000 0.868 105 D CB 0.442 41.246 40.800 0.006 0.000 0.943 105 D HN 0.204 nan 8.370 nan 0.000 0.514 106 L N 0.262 121.449 121.223 -0.060 0.000 2.505 106 L HA 0.311 4.652 4.340 0.001 0.000 0.259 106 L C -1.748 175.116 176.870 -0.010 0.000 0.952 106 L CA -0.613 54.210 54.840 -0.029 0.000 0.840 106 L CB 2.629 44.661 42.059 -0.044 0.000 1.358 106 L HN -0.389 nan 8.230 nan 0.000 0.409 107 V N 4.719 124.659 119.914 0.043 0.000 2.417 107 V HA 0.518 4.639 4.120 0.001 0.000 0.291 107 V C -0.547 175.610 176.094 0.104 0.000 1.024 107 V CA -0.483 61.887 62.300 0.116 0.000 0.861 107 V CB 1.605 33.472 31.823 0.072 0.000 0.985 107 V HN 0.554 nan 8.190 nan 0.000 0.436 108 L N 5.921 127.228 121.223 0.141 0.000 2.346 108 L HA 0.830 5.170 4.340 0.001 0.000 0.274 108 L C -0.665 176.312 176.870 0.180 0.000 1.007 108 L CA 0.024 54.901 54.840 0.063 0.000 0.818 108 L CB 1.678 43.728 42.059 -0.015 0.000 1.284 108 L HN 0.940 nan 8.230 nan 0.000 0.424 109 H N 0.050 119.130 119.070 0.018 0.000 3.085 109 H HA 0.482 5.038 4.556 0.000 0.000 0.356 109 H C -1.346 174.005 175.328 0.038 0.000 1.178 109 H CA -1.066 55.015 56.048 0.055 0.000 1.214 109 H CB 0.648 30.410 29.762 -0.002 0.000 1.881 109 H HN 0.628 nan 8.280 nan 0.000 0.538 110 D N 1.603 122.099 120.400 0.160 0.000 2.378 110 D HA 0.003 4.643 4.640 0.001 0.000 0.238 110 D C 1.794 178.200 176.300 0.176 0.000 1.180 110 D CA 0.242 54.325 54.000 0.138 0.000 0.895 110 D CB 0.876 41.811 40.800 0.226 0.000 1.192 110 D HN 0.684 nan 8.370 nan 0.000 0.438 111 I N -0.173 120.447 120.570 0.084 0.000 2.399 111 I HA -0.208 3.962 4.170 0.001 0.000 0.254 111 I C 1.722 177.827 176.117 -0.020 0.000 1.146 111 I CA 1.507 62.841 61.300 0.056 0.000 1.412 111 I CB -1.168 36.836 38.000 0.006 0.000 1.076 111 I HN 0.453 nan 8.210 nan 0.000 0.432 112 T N -2.160 112.302 114.554 -0.153 0.000 3.055 112 T HA 0.004 4.354 4.350 0.001 0.000 0.265 112 T C 1.253 175.853 174.700 -0.167 0.000 1.111 112 T CA 0.549 62.466 62.100 -0.305 0.000 1.118 112 T CB -0.369 68.288 68.868 -0.352 0.000 0.909 112 T HN 0.329 nan 8.240 nan 0.000 0.501 113 S N 0.857 116.559 115.700 0.003 0.000 2.681 113 S HA 0.277 4.748 4.470 0.001 0.000 0.313 113 S C 0.511 175.109 174.600 -0.004 0.000 1.137 113 S CA -0.904 57.305 58.200 0.015 0.000 1.045 113 S CB -0.544 62.727 63.200 0.118 0.000 1.208 113 S HN 0.346 nan 8.310 nan 0.000 0.523 114 Y N 4.214 124.575 120.300 0.102 0.000 2.224 114 Y HA 0.064 4.614 4.550 0.001 0.000 0.289 114 Y C -0.701 175.312 175.900 0.189 0.000 1.146 114 Y CA 0.371 58.619 58.100 0.246 0.000 1.182 114 Y CB -2.145 36.670 38.460 0.592 0.000 0.983 114 Y HN 0.516 nan 8.280 nan 0.000 0.524 115 P HA -0.156 nan 4.420 nan 0.000 0.216 115 P C 1.613 178.697 177.300 -0.360 0.000 1.150 115 P CA 2.276 65.402 63.100 0.042 0.000 0.837 115 P CB -0.106 31.596 31.700 0.004 0.000 0.786 116 A N 0.097 122.532 122.820 -0.640 0.000 1.917 116 A HA -0.264 4.056 4.320 0.001 0.000 0.219 116 A C 2.240 179.344 177.584 -0.801 0.000 1.182 116 A CA 1.791 53.138 52.037 -1.150 0.000 0.633 116 A CB -1.123 17.180 19.000 -1.162 0.000 0.819 116 A HN 0.101 nan 8.150 nan 0.000 0.448 117 R N -0.863 119.249 120.500 -0.647 0.000 2.073 117 R HA -0.077 4.264 4.340 0.001 0.000 0.234 117 R C 2.058 178.201 176.300 -0.262 0.000 1.134 117 R CA 1.501 57.329 56.100 -0.452 0.000 0.952 117 R CB -0.642 29.327 30.300 -0.552 0.000 0.850 117 R HN 0.385 nan 8.270 nan 0.000 0.433 118 V N 1.544 121.354 119.914 -0.173 0.000 2.295 118 V HA -0.220 3.900 4.120 0.001 0.000 0.246 118 V C 2.308 178.133 176.094 -0.448 0.000 1.049 118 V CA 1.682 63.831 62.300 -0.253 0.000 1.024 118 V CB -0.441 31.179 31.823 -0.337 0.000 0.648 118 V HN 0.263 nan 8.190 nan 0.000 0.447 119 L N 0.105 120.943 121.223 -0.642 0.000 2.046 119 L HA -0.145 4.195 4.340 0.001 0.000 0.208 119 L C 2.764 179.010 176.870 -1.040 0.000 1.077 119 L CA 1.547 55.696 54.840 -1.153 0.000 0.747 119 L CB -0.872 40.262 42.059 -1.542 0.000 0.896 119 L HN 0.351 nan 8.230 nan 0.000 0.432 120 A N 0.328 122.802 122.820 -0.577 0.000 1.908 120 A HA -0.237 4.083 4.320 0.001 0.000 0.218 120 A C 2.393 179.883 177.584 -0.157 0.000 1.181 120 A CA 1.778 53.687 52.037 -0.212 0.000 0.627 120 A CB -0.504 18.405 19.000 -0.152 0.000 0.818 120 A HN 0.347 nan 8.150 nan 0.000 0.445 121 R N -1.186 119.184 120.500 -0.218 0.000 2.092 121 R HA -0.071 4.269 4.340 0.001 0.000 0.231 121 R C 2.534 178.747 176.300 -0.145 0.000 1.119 121 R CA 1.371 57.383 56.100 -0.146 0.000 0.970 121 R CB -0.300 29.919 30.300 -0.136 0.000 0.864 121 R HN 0.597 nan 8.270 nan 0.000 0.440 122 R N 0.234 120.577 120.500 -0.262 0.000 2.073 122 R HA -0.149 4.191 4.340 0.001 0.000 0.234 122 R C 1.466 177.748 176.300 -0.030 0.000 1.134 122 R CA 1.475 57.444 56.100 -0.219 0.000 0.952 122 R CB -0.055 30.009 30.300 -0.393 0.000 0.850 122 R HN 0.270 nan 8.270 nan 0.000 0.433 123 W N -0.048 121.220 121.300 -0.054 0.000 2.519 123 W HA 0.235 4.896 4.660 0.001 0.000 0.266 123 W C 1.056 177.553 176.519 -0.037 0.000 1.253 123 W CA 1.095 58.417 57.345 -0.039 0.000 1.274 123 W CB -0.807 28.625 29.460 -0.048 0.000 1.114 123 W HN 0.486 nan 8.180 nan 0.000 0.596 124 G N 0.986 109.874 108.800 0.145 0.000 2.272 124 G HA2 -0.129 3.831 3.960 0.001 0.000 0.280 124 G HA3 -0.129 3.831 3.960 0.001 0.000 0.280 124 G C -0.209 174.736 174.900 0.076 0.000 1.067 124 G CA 0.249 45.392 45.100 0.073 0.000 0.902 124 G HN 0.395 nan 8.290 nan 0.000 0.500 125 V N -3.101 116.871 119.914 0.097 0.000 2.919 125 V HA 0.972 5.092 4.120 0.001 0.000 0.316 125 V C -1.876 174.238 176.094 0.034 0.000 1.077 125 V CA -2.521 59.822 62.300 0.071 0.000 0.977 125 V CB 2.097 33.982 31.823 0.104 0.000 1.039 125 V HN 0.164 nan 8.190 nan 0.000 0.441 126 P HA 0.389 nan 4.420 nan 0.000 0.268 126 P C -0.565 176.732 177.300 -0.005 0.000 1.205 126 P CA 0.267 63.362 63.100 -0.007 0.000 0.771 126 P CB 1.077 32.768 31.700 -0.016 0.000 0.858 127 A N 2.831 125.641 122.820 -0.017 0.000 2.342 127 A HA 0.593 4.914 4.320 0.001 0.000 0.323 127 A C -0.795 176.770 177.584 -0.031 0.000 1.125 127 A CA -0.662 51.378 52.037 0.005 0.000 0.785 127 A CB 1.307 20.319 19.000 0.020 0.000 1.221 127 A HN 0.321 nan 8.150 nan 0.000 0.463 128 V N 1.919 121.797 119.914 -0.060 0.000 2.407 128 V HA 0.467 4.587 4.120 0.001 0.000 0.291 128 V C 0.471 176.356 176.094 -0.348 0.000 1.018 128 V CA -0.497 61.710 62.300 -0.155 0.000 0.842 128 V CB 1.516 33.267 31.823 -0.121 0.000 0.996 128 V HN 0.932 nan 8.190 nan 0.000 0.426 129 S N 5.801 121.246 115.700 -0.424 0.000 2.537 129 S HA 0.660 5.130 4.470 0.001 0.000 0.275 129 S C -0.572 173.829 174.600 -0.331 0.000 1.272 129 S CA -0.473 57.347 58.200 -0.633 0.000 1.050 129 S CB 0.302 63.264 63.200 -0.396 0.000 0.961 129 S HN 0.563 nan 8.310 nan 0.000 0.496 130 L N 4.186 125.242 121.223 -0.279 0.000 2.298 130 L HA 0.453 4.793 4.340 0.001 0.000 0.284 130 L C 0.104 176.942 176.870 -0.054 0.000 1.013 130 L CA -0.524 54.242 54.840 -0.122 0.000 0.824 130 L CB 1.729 43.746 42.059 -0.071 0.000 1.221 130 L HN 0.566 nan 8.230 nan 0.000 0.418 131 S N 4.635 120.311 115.700 -0.041 0.000 2.433 131 S HA 0.468 4.939 4.470 0.001 0.000 0.310 131 S C -1.733 172.874 174.600 0.012 0.000 1.097 131 S CA -1.383 56.815 58.200 -0.004 0.000 1.103 131 S CB 1.209 64.396 63.200 -0.022 0.000 0.992 131 S HN 0.429 nan 8.310 nan 0.000 0.469 132 P HA 0.149 nan 4.420 nan 0.000 0.255 132 P C -0.717 176.593 177.300 0.017 0.000 1.301 132 P CA 0.153 63.266 63.100 0.021 0.000 0.817 132 P CB -0.515 31.180 31.700 -0.009 0.000 1.259 133 N N -1.149 117.568 118.700 0.028 0.000 3.277 133 N HA 0.321 5.061 4.740 0.001 0.000 0.278 133 N C -0.539 175.002 175.510 0.053 0.000 1.544 133 N CA -1.120 51.955 53.050 0.042 0.000 0.869 133 N CB -0.065 38.444 38.487 0.036 0.000 1.584 133 N HN -0.239 nan 8.380 nan 0.000 0.564 134 L N -0.951 120.322 121.223 0.083 0.000 2.492 134 L HA 0.570 4.911 4.340 0.001 0.000 0.280 134 L C 0.315 177.196 176.870 0.017 0.000 1.240 134 L CA -0.653 54.255 54.840 0.113 0.000 0.831 134 L CB -0.174 41.994 42.059 0.181 0.000 1.100 134 L HN 0.529 nan 8.230 nan 0.000 0.505 135 V N -1.535 118.352 119.914 -0.046 0.000 3.166 135 V HA 0.949 5.070 4.120 0.001 0.000 0.317 135 V C 0.449 176.339 176.094 -0.340 0.000 1.136 135 V CA -0.694 61.438 62.300 -0.279 0.000 1.035 135 V CB 1.054 32.521 31.823 -0.592 0.000 1.110 135 V HN 1.287 nan 8.190 nan 0.000 0.450 136 A N 1.431 123.873 122.820 -0.629 0.000 2.450 136 A HA 0.568 4.888 4.320 0.001 0.000 0.255 136 A C -0.264 177.160 177.584 -0.268 0.000 1.096 136 A CA -0.207 51.334 52.037 -0.826 0.000 0.778 136 A CB -0.432 17.994 19.000 -0.957 0.000 1.031 136 A HN 1.284 nan 8.150 nan 0.000 0.494 137 W N 1.631 122.903 121.300 -0.046 0.000 2.390 137 W HA 0.622 5.282 4.660 -0.000 0.000 0.362 137 W C -0.135 176.464 176.519 0.133 0.000 1.206 137 W CA -1.068 56.308 57.345 0.052 0.000 1.355 137 W CB 0.445 29.962 29.460 0.094 0.000 1.278 137 W HN 0.420 nan 8.180 nan 0.000 0.653 138 K N 1.504 122.112 120.400 0.346 0.000 2.402 138 K HA 0.444 4.764 4.320 0.001 0.000 0.285 138 K C 0.678 177.438 176.600 0.267 0.000 1.054 138 K CA 0.694 57.115 56.287 0.223 0.000 1.001 138 K CB 0.013 32.624 32.500 0.184 0.000 0.946 138 K HN 1.246 nan 8.250 nan 0.000 0.473 139 G N 1.326 110.199 108.800 0.122 0.000 2.284 139 G HA2 -0.305 3.656 3.960 0.001 0.000 0.201 139 G HA3 -0.305 3.656 3.960 0.001 0.000 0.201 139 G C 0.763 175.625 174.900 -0.064 0.000 0.998 139 G CA 0.175 45.344 45.100 0.114 0.000 0.651 139 G HN 0.676 nan 8.290 nan 0.000 0.489 140 Y N 1.722 121.680 120.300 -0.570 0.000 2.224 140 Y HA -0.004 4.546 4.550 0.000 0.000 0.289 140 Y C 2.641 178.346 175.900 -0.325 0.000 1.146 140 Y CA 2.432 60.023 58.100 -0.848 0.000 1.182 140 Y CB 0.162 37.973 38.460 -1.082 0.000 0.983 140 Y HN 0.255 nan 8.280 nan 0.000 0.524 141 E N 0.453 120.638 120.200 -0.024 0.000 2.077 141 E HA -0.196 4.154 4.350 0.001 0.000 0.193 141 E C 1.928 178.467 176.600 -0.102 0.000 0.989 141 E CA 1.707 58.092 56.400 -0.025 0.000 0.800 141 E CB -0.101 29.593 29.700 -0.009 0.000 0.746 141 E HN 0.610 nan 8.360 nan 0.000 0.452 142 E N 0.400 120.548 120.200 -0.087 0.000 2.170 142 E HA -0.059 4.291 4.350 0.001 0.000 0.191 142 E C 1.865 178.423 176.600 -0.071 0.000 0.981 142 E CA 0.729 57.092 56.400 -0.063 0.000 0.830 142 E CB 0.008 29.688 29.700 -0.032 0.000 0.775 142 E HN 0.303 nan 8.360 nan 0.000 0.470 143 E N -0.567 119.576 120.200 -0.096 0.000 2.250 143 E HA 0.006 4.357 4.350 0.001 0.000 0.192 143 E C 1.324 177.847 176.600 -0.129 0.000 0.986 143 E CA 0.622 56.988 56.400 -0.057 0.000 0.849 143 E CB 0.594 30.331 29.700 0.062 0.000 0.797 143 E HN 0.037 nan 8.360 nan 0.000 0.482 144 V N -0.230 119.473 119.914 -0.352 0.000 3.054 144 V HA 0.155 4.276 4.120 0.001 0.000 0.227 144 V C 1.843 177.711 176.094 -0.376 0.000 1.252 144 V CA 0.904 62.927 62.300 -0.462 0.000 1.279 144 V CB -0.024 31.215 31.823 -0.973 0.000 1.118 144 V HN 0.203 nan 8.190 nan 0.000 0.504 145 A N 0.242 122.799 122.820 -0.438 0.000 1.855 145 A HA -0.175 4.145 4.320 0.001 0.000 0.215 145 A C 2.018 179.681 177.584 0.131 0.000 1.191 145 A CA 1.930 53.939 52.037 -0.047 0.000 0.613 145 A CB -0.474 18.586 19.000 0.099 0.000 0.829 145 A HN 0.595 nan 8.150 nan 0.000 0.442 146 E N -0.399 119.821 120.200 0.034 0.000 2.051 146 E HA -0.153 4.197 4.350 0.001 0.000 0.192 146 E C -0.473 176.170 176.600 0.071 0.000 0.991 146 E CA 1.504 57.944 56.400 0.065 0.000 0.799 146 E CB -0.999 28.699 29.700 -0.005 0.000 0.748 146 E HN 0.473 nan 8.360 nan 0.000 0.449 147 P HA -0.165 nan 4.420 nan 0.000 0.215 147 P C 1.327 178.624 177.300 -0.004 0.000 1.153 147 P CA 1.398 64.499 63.100 0.002 0.000 0.853 147 P CB -0.008 31.677 31.700 -0.025 0.000 0.788 148 M N -3.219 116.356 119.600 -0.041 0.000 2.159 148 M HA -0.152 4.329 4.480 0.001 0.000 0.263 148 M C 1.712 177.901 176.300 -0.184 0.000 1.063 148 M CA 1.832 57.047 55.300 -0.142 0.000 1.110 148 M CB -0.694 31.768 32.600 -0.230 0.000 1.374 148 M HN 0.009 nan 8.290 nan 0.000 0.411 149 W N -0.336 120.985 121.300 0.034 0.000 3.003 149 W HA 0.076 4.736 4.660 0.000 0.000 0.257 149 W C 2.402 178.945 176.519 0.039 0.000 1.308 149 W CA 0.033 57.418 57.345 0.067 0.000 1.529 149 W CB -0.054 29.457 29.460 0.086 0.000 1.115 149 W HN 0.170 nan 8.180 nan 0.000 0.659 150 R N 1.183 121.795 120.500 0.187 0.000 2.112 150 R HA -0.237 4.103 4.340 0.001 0.000 0.242 150 R C 1.611 177.980 176.300 0.116 0.000 1.137 150 R CA 2.345 58.519 56.100 0.123 0.000 0.944 150 R CB -0.251 30.087 30.300 0.062 0.000 0.857 150 R HN 0.232 nan 8.270 nan 0.000 0.435 151 E N -0.964 119.289 120.200 0.088 0.000 2.051 151 E HA -0.062 4.288 4.350 0.001 0.000 0.189 151 E C -0.909 175.766 176.600 0.125 0.000 0.979 151 E CA 0.698 57.145 56.400 0.079 0.000 0.803 151 E CB -0.444 29.279 29.700 0.038 0.000 0.761 151 E HN 0.413 nan 8.360 nan 0.000 0.451 152 P HA -0.148 nan 4.420 nan 0.000 0.218 152 P C 1.100 178.636 177.300 0.394 0.000 1.149 152 P CA 1.088 64.321 63.100 0.223 0.000 0.817 152 P CB 0.082 31.845 31.700 0.105 0.000 0.785 153 R N 0.266 121.048 120.500 0.469 0.000 2.189 153 R HA -0.080 4.260 4.340 0.001 0.000 0.223 153 R C 1.811 178.235 176.300 0.207 0.000 1.092 153 R CA 1.474 57.796 56.100 0.369 0.000 0.989 153 R CB -0.800 29.634 30.300 0.223 0.000 0.876 153 R HN 0.249 nan 8.270 nan 0.000 0.457 154 Q N -0.328 119.573 119.800 0.168 0.000 2.319 154 Q HA 0.077 4.417 4.340 0.001 0.000 0.202 154 Q C -0.025 176.041 176.000 0.110 0.000 0.896 154 Q CA 0.564 56.434 55.803 0.111 0.000 0.942 154 Q CB 0.808 29.595 28.738 0.081 0.000 1.083 154 Q HN 0.345 nan 8.270 nan 0.000 0.510 155 T N -2.071 112.567 114.554 0.141 0.000 2.882 155 T HA 0.123 4.473 4.350 0.001 0.000 0.287 155 T C 1.047 175.823 174.700 0.127 0.000 1.014 155 T CA -0.698 61.474 62.100 0.120 0.000 1.049 155 T CB 1.329 70.270 68.868 0.122 0.000 1.001 155 T HN -0.094 nan 8.240 nan 0.000 0.525 156 E N 0.685 120.944 120.200 0.099 0.000 2.110 156 E HA -0.120 4.230 4.350 0.001 0.000 0.193 156 E C 2.150 178.822 176.600 0.120 0.000 0.988 156 E CA 0.890 57.347 56.400 0.096 0.000 0.804 156 E CB -0.322 29.419 29.700 0.069 0.000 0.745 156 E HN 0.751 nan 8.360 nan 0.000 0.458 157 R N 0.341 120.915 120.500 0.124 0.000 2.083 157 R HA -0.123 4.217 4.340 0.001 0.000 0.237 157 R C 2.366 178.803 176.300 0.228 0.000 1.137 157 R CA 1.730 57.916 56.100 0.143 0.000 0.951 157 R CB -0.527 29.842 30.300 0.114 0.000 0.851 157 R HN 0.225 nan 8.270 nan 0.000 0.434 158 G N 0.242 109.206 108.800 0.274 0.000 2.402 158 G HA2 -0.246 3.715 3.960 0.001 0.000 0.216 158 G HA3 -0.246 3.715 3.960 0.001 0.000 0.216 158 G C 1.408 176.559 174.900 0.419 0.000 1.162 158 G CA 0.562 45.923 45.100 0.436 0.000 0.777 158 G HN 0.315 nan 8.290 nan 0.000 0.539 159 R N 0.542 121.203 120.500 0.268 0.000 2.091 159 R HA 0.011 4.351 4.340 0.001 0.000 0.238 159 R C 2.985 179.395 176.300 0.183 0.000 1.136 159 R CA 1.272 57.492 56.100 0.200 0.000 0.959 159 R CB -0.343 30.031 30.300 0.125 0.000 0.856 159 R HN 0.354 nan 8.270 nan 0.000 0.437 160 A N 0.293 123.217 122.820 0.173 0.000 1.898 160 A HA -0.202 4.119 4.320 0.001 0.000 0.216 160 A C 1.997 179.665 177.584 0.139 0.000 1.181 160 A CA 1.126 53.240 52.037 0.128 0.000 0.620 160 A CB -0.730 18.337 19.000 0.111 0.000 0.819 160 A HN 0.497 nan 8.150 nan 0.000 0.442 161 Y N -1.079 119.265 120.300 0.072 0.000 2.097 161 Y HA -0.317 4.234 4.550 0.000 0.000 0.282 161 Y C 2.231 178.106 175.900 -0.042 0.000 1.152 161 Y CA 2.284 60.392 58.100 0.013 0.000 1.136 161 Y CB -0.462 38.025 38.460 0.045 0.000 0.975 161 Y HN 0.342 nan 8.280 nan 0.000 0.498 162 Y N 0.006 120.220 120.300 -0.143 0.000 2.224 162 Y HA -0.208 4.343 4.550 0.001 0.000 0.289 162 Y C 2.666 178.456 175.900 -0.184 0.000 1.146 162 Y CA 1.442 59.375 58.100 -0.278 0.000 1.182 162 Y CB -0.905 37.432 38.460 -0.205 0.000 0.983 162 Y HN 0.304 nan 8.280 nan 0.000 0.524 163 A N -0.024 122.819 122.820 0.038 0.000 1.902 163 A HA -0.213 4.108 4.320 0.001 0.000 0.217 163 A C 2.294 179.868 177.584 -0.016 0.000 1.181 163 A CA 1.732 53.776 52.037 0.010 0.000 0.623 163 A CB -0.663 18.354 19.000 0.028 0.000 0.818 163 A HN 0.420 nan 8.150 nan 0.000 0.443 164 R N -2.004 118.470 120.500 -0.043 0.000 2.081 164 R HA -0.135 4.205 4.340 0.001 0.000 0.235 164 R C 1.902 178.171 176.300 -0.053 0.000 1.131 164 R CA 1.626 57.688 56.100 -0.063 0.000 0.960 164 R CB -0.381 29.859 30.300 -0.100 0.000 0.856 164 R HN 0.443 nan 8.270 nan 0.000 0.436 165 F N 1.716 121.477 119.950 -0.314 0.000 2.113 165 F HA -0.138 4.390 4.527 0.001 0.000 0.297 165 F C 2.274 177.953 175.800 -0.201 0.000 1.103 165 F CA 1.842 59.651 58.000 -0.320 0.000 1.248 165 F CB -0.582 38.031 39.000 -0.646 0.000 0.999 165 F HN 0.113 nan 8.300 nan 0.000 0.475 166 E N -0.143 120.069 120.200 0.021 0.000 2.058 166 E HA -0.218 4.133 4.350 0.001 0.000 0.194 166 E C 2.283 178.865 176.600 -0.030 0.000 0.997 166 E CA 1.412 57.770 56.400 -0.070 0.000 0.801 166 E CB -0.334 29.305 29.700 -0.102 0.000 0.746 166 E HN 0.339 nan 8.360 nan 0.000 0.450 167 A N 0.295 123.120 122.820 0.008 0.000 1.908 167 A HA -0.206 4.114 4.320 0.001 0.000 0.218 167 A C 1.943 179.559 177.584 0.054 0.000 1.181 167 A CA 1.551 53.598 52.037 0.017 0.000 0.627 167 A CB -1.221 17.795 19.000 0.026 0.000 0.818 167 A HN 0.688 nan 8.150 nan 0.000 0.445 168 W N 0.664 121.890 121.300 -0.124 0.000 2.381 168 W HA -0.109 4.551 4.660 0.000 0.000 0.301 168 W C 1.815 178.228 176.519 -0.177 0.000 1.205 168 W CA 1.753 59.009 57.345 -0.148 0.000 1.285 168 W CB -0.388 28.957 29.460 -0.192 0.000 1.133 168 W HN 0.254 nan 8.180 nan 0.000 0.521 169 L N 0.431 121.517 121.223 -0.229 0.000 2.056 169 L HA -0.242 4.099 4.340 0.001 0.000 0.207 169 L C 2.680 179.356 176.870 -0.323 0.000 1.078 169 L CA 1.859 56.427 54.840 -0.453 0.000 0.749 169 L CB -1.579 40.236 42.059 -0.407 0.000 0.901 169 L HN -0.190 nan 8.230 nan 0.000 0.433 170 K N 0.463 120.744 120.400 -0.200 0.000 2.032 170 K HA -0.256 4.064 4.320 0.001 0.000 0.209 170 K C 1.960 178.468 176.600 -0.153 0.000 1.048 170 K CA 1.895 58.092 56.287 -0.150 0.000 0.927 170 K CB -0.360 32.081 32.500 -0.098 0.000 0.712 170 K HN 0.513 nan 8.250 nan 0.000 0.441 171 E N 0.126 120.234 120.200 -0.154 0.000 2.147 171 E HA -0.207 4.144 4.350 0.001 0.000 0.199 171 E C 1.071 177.550 176.600 -0.201 0.000 1.005 171 E CA 1.748 58.060 56.400 -0.148 0.000 0.810 171 E CB -0.122 29.500 29.700 -0.132 0.000 0.736 171 E HN 0.447 nan 8.360 nan 0.000 0.460 172 N N -0.637 117.879 118.700 -0.306 0.000 2.279 172 N HA 0.064 4.804 4.740 0.001 0.000 0.226 172 N C 0.249 175.612 175.510 -0.244 0.000 1.126 172 N CA 0.719 53.576 53.050 -0.322 0.000 0.846 172 N CB 1.130 39.307 38.487 -0.517 0.000 1.050 172 N HN 0.298 nan 8.380 nan 0.000 0.502 173 G N 1.324 110.012 108.800 -0.186 0.000 2.233 173 G HA2 -0.286 3.674 3.960 0.001 0.000 0.270 173 G HA3 -0.286 3.674 3.960 0.001 0.000 0.270 173 G C 0.070 174.884 174.900 -0.143 0.000 1.011 173 G CA 0.087 45.103 45.100 -0.140 0.000 0.762 173 G HN 0.400 nan 8.290 nan 0.000 0.511 174 I N 1.271 121.730 120.570 -0.186 0.000 2.307 174 I HA 0.294 4.465 4.170 0.001 0.000 0.289 174 I C 1.644 177.672 176.117 -0.149 0.000 1.021 174 I CA 0.131 61.330 61.300 -0.169 0.000 1.224 174 I CB 1.515 39.374 38.000 -0.235 0.000 1.376 174 I HN 0.214 nan 8.210 nan 0.000 0.470 175 T N -0.352 114.141 114.554 -0.101 0.000 3.044 175 T HA 0.015 4.365 4.350 0.001 0.000 0.250 175 T C 0.629 175.287 174.700 -0.069 0.000 1.081 175 T CA -0.155 61.894 62.100 -0.085 0.000 1.040 175 T CB -0.232 68.597 68.868 -0.063 0.000 0.962 175 T HN 0.564 nan 8.240 nan 0.000 0.506 176 E N 1.288 121.455 120.200 -0.054 0.000 2.404 176 E HA 0.084 4.434 4.350 0.001 0.000 0.261 176 E C -0.085 176.493 176.600 -0.038 0.000 1.074 176 E CA -0.833 55.556 56.400 -0.019 0.000 0.917 176 E CB -0.114 29.596 29.700 0.017 0.000 0.965 176 E HN 0.563 nan 8.360 nan 0.000 0.433 177 H N 2.078 121.089 119.070 -0.098 0.000 2.972 177 H HA 0.046 4.602 4.556 0.001 0.000 0.343 177 H C -1.648 173.568 175.328 -0.186 0.000 1.054 177 H CA -1.218 54.750 56.048 -0.134 0.000 1.412 177 H CB 1.132 30.821 29.762 -0.121 0.000 1.385 177 H HN 0.280 nan 8.280 nan 0.000 0.600 178 P HA -0.185 nan 4.420 nan 0.000 0.217 178 P C 0.889 177.981 177.300 -0.348 0.000 1.151 178 P CA 1.540 64.131 63.100 -0.849 0.000 0.849 178 P CB 0.324 31.239 31.700 -1.308 0.000 0.787 179 D N -1.837 118.674 120.400 0.185 0.000 2.178 179 D HA -0.081 4.559 4.640 0.001 0.000 0.202 179 D C 1.801 178.255 176.300 0.257 0.000 0.974 179 D CA 1.306 55.445 54.000 0.231 0.000 0.841 179 D CB -0.810 40.132 40.800 0.236 0.000 0.953 179 D HN 0.191 nan 8.370 nan 0.000 0.478 180 T N 0.672 115.358 114.554 0.219 0.000 2.737 180 T HA -0.136 4.214 4.350 0.001 0.000 0.265 180 T C 1.763 176.568 174.700 0.175 0.000 1.038 180 T CA 0.619 62.845 62.100 0.210 0.000 1.144 180 T CB -0.529 68.390 68.868 0.086 0.000 0.866 180 T HN 0.140 nan 8.240 nan 0.000 0.434 181 F N 2.210 122.126 119.950 -0.057 0.000 2.126 181 F HA -0.028 4.500 4.527 0.000 0.000 0.299 181 F C 2.403 178.160 175.800 -0.073 0.000 1.096 181 F CA 1.199 59.140 58.000 -0.099 0.000 1.255 181 F CB -0.445 38.438 39.000 -0.194 0.000 0.997 181 F HN 0.141 nan 8.300 nan 0.000 0.479 182 A N -1.204 121.634 122.820 0.030 0.000 1.898 182 A HA -0.016 4.304 4.320 0.001 0.000 0.214 182 A C 2.159 179.748 177.584 0.008 0.000 1.183 182 A CA 1.593 53.641 52.037 0.017 0.000 0.622 182 A CB -0.804 18.281 19.000 0.142 0.000 0.824 182 A HN 0.366 nan 8.150 nan 0.000 0.444 183 S N -1.060 114.622 115.700 -0.029 0.000 2.539 183 S HA 0.170 4.640 4.470 0.001 0.000 0.221 183 S C -0.007 174.244 174.600 -0.582 0.000 0.987 183 S CA -0.336 57.707 58.200 -0.261 0.000 0.929 183 S CB 0.063 63.099 63.200 -0.273 0.000 0.832 183 S HN 0.643 nan 8.310 nan 0.000 0.492 184 H N 2.171 121.233 119.070 -0.013 0.000 2.380 184 H HA 0.279 4.836 4.556 0.001 0.000 0.231 184 H C -2.835 172.453 175.328 -0.067 0.000 1.415 184 H CA -1.640 54.405 56.048 -0.005 0.000 1.433 184 H CB 0.333 30.096 29.762 0.002 0.000 1.544 184 H HN 0.256 nan 8.280 nan 0.000 0.503 185 P HA 0.064 nan 4.420 nan 0.000 0.269 185 P C -1.829 175.365 177.300 -0.175 0.000 1.215 185 P CA -1.071 61.953 63.100 -0.128 0.000 0.780 185 P CB 1.458 33.063 31.700 -0.158 0.000 0.898 186 P HA 0.021 nan 4.420 nan 0.000 0.225 186 P C 0.375 177.554 177.300 -0.201 0.000 1.156 186 P CA 1.181 64.195 63.100 -0.143 0.000 0.787 186 P CB 0.490 32.133 31.700 -0.096 0.000 0.802 187 R N -0.435 119.929 120.500 -0.227 0.000 2.535 187 R HA 0.601 4.942 4.340 0.001 0.000 0.274 187 R C -1.689 174.447 176.300 -0.275 0.000 1.090 187 R CA -0.468 55.485 56.100 -0.244 0.000 0.930 187 R CB 1.193 31.401 30.300 -0.153 0.000 1.223 187 R HN -0.158 nan 8.270 nan 0.000 0.441 188 S N 4.572 120.083 115.700 -0.315 0.000 2.546 188 S HA 0.601 5.071 4.470 0.001 0.000 0.272 188 S C -1.538 172.968 174.600 -0.156 0.000 1.140 188 S CA -0.752 57.304 58.200 -0.238 0.000 0.920 188 S CB 0.798 63.860 63.200 -0.230 0.000 1.083 188 S HN 0.490 nan 8.310 nan 0.000 0.476 189 L N 3.961 125.106 121.223 -0.130 0.000 2.307 189 L HA 0.653 4.993 4.340 0.001 0.000 0.284 189 L C -0.762 176.031 176.870 -0.129 0.000 1.023 189 L CA -1.051 53.720 54.840 -0.115 0.000 0.810 189 L CB 1.809 43.820 42.059 -0.080 0.000 1.231 189 L HN 0.420 nan 8.230 nan 0.000 0.423 190 V N 4.916 124.701 119.914 -0.215 0.000 2.370 190 V HA 0.239 4.359 4.120 0.001 0.000 0.283 190 V C 0.670 176.719 176.094 -0.076 0.000 1.023 190 V CA -0.381 61.773 62.300 -0.244 0.000 0.857 190 V CB 1.597 32.999 31.823 -0.701 0.000 0.985 190 V HN 0.632 nan 8.190 nan 0.000 0.443 191 L N 6.337 127.553 121.223 -0.011 0.000 2.737 191 L HA 0.435 4.775 4.340 0.001 0.000 0.236 191 L C 0.226 177.138 176.870 0.069 0.000 1.219 191 L CA 0.377 55.238 54.840 0.035 0.000 1.021 191 L CB -0.624 41.452 42.059 0.029 0.000 1.291 191 L HN 0.662 nan 8.230 nan 0.000 0.470 192 I N -3.789 116.853 120.570 0.119 0.000 2.785 192 I HA 0.647 4.817 4.170 0.001 0.000 0.302 192 I C -2.647 173.603 176.117 0.223 0.000 1.069 192 I CA -2.649 58.738 61.300 0.145 0.000 1.045 192 I CB 2.167 40.249 38.000 0.136 0.000 1.236 192 I HN -0.216 nan 8.210 nan 0.000 0.429 193 P HA 0.060 nan 4.420 nan 0.000 0.268 193 P C -0.071 177.239 177.300 0.017 0.000 1.205 193 P CA -0.171 62.986 63.100 0.095 0.000 0.771 193 P CB 1.143 32.862 31.700 0.032 0.000 0.858 194 K N 2.644 122.935 120.400 -0.182 0.000 2.160 194 K HA -0.206 4.115 4.320 0.001 0.000 0.206 194 K C 1.919 178.296 176.600 -0.372 0.000 1.047 194 K CA 1.691 57.560 56.287 -0.697 0.000 0.930 194 K CB -0.563 31.434 32.500 -0.838 0.000 0.720 194 K HN 0.488 nan 8.250 nan 0.000 0.450 195 A N 0.870 123.571 122.820 -0.198 0.000 1.986 195 A HA -0.149 4.172 4.320 0.001 0.000 0.220 195 A C 1.833 179.349 177.584 -0.114 0.000 1.171 195 A CA 1.296 53.251 52.037 -0.137 0.000 0.640 195 A CB -0.417 18.533 19.000 -0.082 0.000 0.811 195 A HN 0.336 nan 8.150 nan 0.000 0.451 196 L N -0.757 120.419 121.223 -0.078 0.000 2.591 196 L HA 0.071 4.411 4.340 0.001 0.000 0.228 196 L C 0.855 177.710 176.870 -0.025 0.000 1.133 196 L CA -0.142 54.674 54.840 -0.040 0.000 0.880 196 L CB -0.107 41.950 42.059 -0.002 0.000 1.033 196 L HN 0.443 nan 8.230 nan 0.000 0.450 197 Q N 1.714 121.473 119.800 -0.068 0.000 2.322 197 Q HA 0.301 4.641 4.340 0.001 0.000 0.256 197 Q C -2.433 173.503 176.000 -0.106 0.000 0.960 197 Q CA -1.971 53.819 55.803 -0.021 0.000 0.934 197 Q CB 1.192 29.904 28.738 -0.043 0.000 1.200 197 Q HN -0.111 nan 8.270 nan 0.000 0.435 198 P HA -0.003 nan 4.420 nan 0.000 0.269 198 P C -0.938 176.093 177.300 -0.449 0.000 1.209 198 P CA 0.313 63.239 63.100 -0.290 0.000 0.776 198 P CB 0.395 31.987 31.700 -0.179 0.000 0.876 199 H N 0.344 119.085 119.070 -0.549 0.000 2.741 199 H HA -0.222 4.335 4.556 0.000 0.000 0.305 199 H C 1.246 176.376 175.328 -0.330 0.000 1.169 199 H CA 0.626 56.301 56.048 -0.621 0.000 1.144 199 H CB -1.708 27.204 29.762 -1.417 0.000 1.397 199 H HN 0.576 nan 8.280 nan 0.000 0.409 200 A N 0.310 123.016 122.820 -0.191 0.000 1.978 200 A HA -0.147 4.173 4.320 0.001 0.000 0.220 200 A C 2.208 179.752 177.584 -0.067 0.000 1.170 200 A CA 2.117 54.069 52.037 -0.142 0.000 0.636 200 A CB -0.677 18.162 19.000 -0.267 0.000 0.810 200 A HN 0.712 nan 8.150 nan 0.000 0.448 201 D N -0.678 119.683 120.400 -0.065 0.000 2.348 201 D HA -0.021 4.620 4.640 0.001 0.000 0.216 201 D C 1.964 178.292 176.300 0.048 0.000 0.970 201 D CA 1.030 55.020 54.000 -0.016 0.000 0.889 201 D CB -0.429 40.353 40.800 -0.030 0.000 0.912 201 D HN 0.604 nan 8.370 nan 0.000 0.524 202 R N -0.663 119.888 120.500 0.084 0.000 2.362 202 R HA 0.240 4.580 4.340 0.001 0.000 0.227 202 R C 0.064 176.512 176.300 0.246 0.000 0.905 202 R CA -0.160 56.041 56.100 0.168 0.000 1.067 202 R CB 1.265 31.689 30.300 0.207 0.000 1.078 202 R HN 0.274 nan 8.270 nan 0.000 0.516 203 V N 2.392 122.440 119.914 0.225 0.000 2.508 203 V HA -0.040 4.080 4.120 0.001 0.000 0.281 203 V C 0.304 176.560 176.094 0.271 0.000 1.041 203 V CA -0.328 62.120 62.300 0.247 0.000 1.016 203 V CB 1.050 33.028 31.823 0.259 0.000 0.984 203 V HN 0.087 nan 8.190 nan 0.000 0.478 204 D N 4.430 125.029 120.400 0.332 0.000 2.349 204 D HA 0.001 4.641 4.640 0.001 0.000 0.266 204 D C 1.175 177.659 176.300 0.306 0.000 1.293 204 D CA 0.083 54.262 54.000 0.298 0.000 0.926 204 D CB 0.898 41.870 40.800 0.286 0.000 1.090 204 D HN 0.523 nan 8.370 nan 0.000 0.502 205 E N 2.610 122.937 120.200 0.211 0.000 2.338 205 E HA -0.116 4.235 4.350 0.001 0.000 0.197 205 E C 0.767 177.434 176.600 0.112 0.000 1.007 205 E CA 0.533 57.043 56.400 0.182 0.000 0.849 205 E CB 0.294 30.080 29.700 0.142 0.000 0.774 205 E HN 0.585 nan 8.360 nan 0.000 0.506 206 D N -0.055 120.393 120.400 0.081 0.000 2.224 206 D HA -0.075 4.565 4.640 0.001 0.000 0.205 206 D C 1.893 178.174 176.300 -0.031 0.000 0.965 206 D CA 0.501 54.517 54.000 0.026 0.000 0.852 206 D CB 0.312 41.124 40.800 0.020 0.000 0.947 206 D HN 0.066 nan 8.370 nan 0.000 0.494 207 V N -0.566 119.311 119.914 -0.061 0.000 2.581 207 V HA -0.008 4.113 4.120 0.001 0.000 0.240 207 V C 0.197 176.062 176.094 -0.382 0.000 1.054 207 V CA 0.594 62.719 62.300 -0.291 0.000 1.076 207 V CB -0.034 31.493 31.823 -0.494 0.000 0.748 207 V HN 0.034 nan 8.190 nan 0.000 0.474 208 Y N 0.336 120.616 120.300 -0.034 0.000 2.330 208 Y HA 0.573 5.123 4.550 0.000 0.000 0.336 208 Y C 0.251 176.097 175.900 -0.091 0.000 1.036 208 Y CA -0.469 57.559 58.100 -0.121 0.000 1.125 208 Y CB 1.451 39.814 38.460 -0.162 0.000 1.194 208 Y HN -0.076 nan 8.280 nan 0.000 0.469 209 T N 4.472 119.015 114.554 -0.019 0.000 2.792 209 T HA 0.402 4.753 4.350 0.001 0.000 0.280 209 T C -0.847 173.797 174.700 -0.093 0.000 0.990 209 T CA -0.739 61.374 62.100 0.023 0.000 0.960 209 T CB 0.208 69.089 68.868 0.023 0.000 0.939 209 T HN 0.239 nan 8.240 nan 0.000 0.439 210 F N 2.846 122.838 119.950 0.069 0.000 2.444 210 F HA 0.278 4.806 4.527 0.001 0.000 0.360 210 F C 1.466 177.288 175.800 0.037 0.000 1.106 210 F CA -0.544 57.486 58.000 0.050 0.000 1.170 210 F CB 0.844 39.867 39.000 0.037 0.000 1.113 210 F HN 0.443 nan 8.300 nan 0.000 0.521 211 V N 1.253 121.243 119.914 0.126 0.000 3.643 211 V HA 0.607 4.727 4.120 0.001 0.000 0.280 211 V C 1.000 177.152 176.094 0.097 0.000 1.351 211 V CA 0.236 62.593 62.300 0.094 0.000 1.073 211 V CB -0.510 31.341 31.823 0.047 0.000 0.863 211 V HN 1.052 nan 8.190 nan 0.000 0.436 212 G N 0.692 109.568 108.800 0.127 0.000 2.698 212 G HA2 0.165 4.125 3.960 0.001 0.000 0.233 212 G HA3 0.165 4.125 3.960 0.001 0.000 0.233 212 G C 0.174 175.118 174.900 0.074 0.000 1.352 212 G CA -0.067 45.097 45.100 0.106 0.000 0.879 212 G HN 1.818 nan 8.290 nan 0.000 0.567 213 A N -1.323 121.534 122.820 0.063 0.000 2.462 213 A HA 0.473 4.794 4.320 0.001 0.000 0.243 213 A C 0.724 178.337 177.584 0.048 0.000 1.076 213 A CA 0.803 52.872 52.037 0.053 0.000 0.773 213 A CB 0.185 19.214 19.000 0.049 0.000 1.010 213 A HN 1.820 nan 8.150 nan 0.000 0.493 214 C N 3.531 122.859 119.300 0.047 0.000 2.376 214 C HA 0.370 4.831 4.460 0.001 0.000 0.341 214 C C 0.569 175.587 174.990 0.047 0.000 1.106 214 C CA -0.519 58.526 59.018 0.045 0.000 1.631 214 C CB -1.688 26.079 27.740 0.045 0.000 1.649 214 C HN 0.894 nan 8.230 nan 0.000 0.456 215 Q N 0.687 120.513 119.800 0.043 0.000 2.256 215 Q HA 0.501 4.841 4.340 0.001 0.000 0.232 215 Q C 0.869 176.894 176.000 0.042 0.000 0.965 215 Q CA -0.232 55.597 55.803 0.044 0.000 0.908 215 Q CB 1.295 30.058 28.738 0.041 0.000 1.209 215 Q HN 0.773 nan 8.270 nan 0.000 0.489 216 G N 0.322 109.148 108.800 0.042 0.000 2.611 216 G HA2 0.030 3.991 3.960 0.001 0.000 0.273 216 G HA3 0.030 3.991 3.960 0.001 0.000 0.273 216 G C -0.713 174.209 174.900 0.037 0.000 1.305 216 G CA -0.372 44.752 45.100 0.039 0.000 1.010 216 G HN 0.678 nan 8.290 nan 0.000 0.509 217 D N -1.817 118.604 120.400 0.034 0.000 2.382 217 D HA 0.240 4.881 4.640 0.001 0.000 0.245 217 D C 1.037 177.359 176.300 0.038 0.000 1.120 217 D CA -0.015 54.005 54.000 0.032 0.000 0.890 217 D CB 0.605 41.421 40.800 0.028 0.000 1.201 217 D HN 0.256 nan 8.370 nan 0.000 0.433 218 R N 2.752 123.276 120.500 0.040 0.000 2.577 218 R HA 0.288 4.629 4.340 0.001 0.000 0.344 218 R C 1.246 177.580 176.300 0.056 0.000 1.037 218 R CA -0.056 56.076 56.100 0.054 0.000 1.102 218 R CB 0.658 30.991 30.300 0.054 0.000 1.313 218 R HN 0.438 nan 8.270 nan 0.000 0.561 219 A N 1.640 124.486 122.820 0.043 0.000 1.978 219 A HA -0.240 4.080 4.320 0.001 0.000 0.220 219 A C 2.330 179.945 177.584 0.051 0.000 1.170 219 A CA 2.129 54.191 52.037 0.041 0.000 0.636 219 A CB -0.509 18.508 19.000 0.029 0.000 0.810 219 A HN 0.485 nan 8.150 nan 0.000 0.448 220 E N 0.401 120.631 120.200 0.049 0.000 2.130 220 E HA -0.288 4.062 4.350 0.001 0.000 0.196 220 E C 1.650 178.296 176.600 0.077 0.000 0.998 220 E CA 1.686 58.114 56.400 0.046 0.000 0.806 220 E CB -0.969 nan 29.700 nan 0.000 0.738 220 E HN 0.865 nan 8.360 nan 0.000 0.459 221 E N -0.812 119.466 120.200 0.130 0.000 2.331 221 E HA 0.219 4.569 4.350 0.001 0.000 0.199 221 E C 1.294 178.038 176.600 0.239 0.000 1.008 221 E CA 0.139 56.697 56.400 0.263 0.000 0.843 221 E CB -0.287 29.622 29.700 0.348 0.000 0.761 221 E HN 0.722 nan 8.360 nan 0.000 0.507 222 G N -0.176 108.705 108.800 0.135 0.000 2.741 222 G HA2 -0.139 3.821 3.960 0.001 0.000 0.222 222 G HA3 -0.139 3.821 3.960 0.001 0.000 0.222 222 G C 0.114 175.072 174.900 0.097 0.000 1.364 222 G CA -0.750 44.414 45.100 0.106 0.000 0.866 222 G HN 0.443 nan 8.290 nan 0.000 0.555 223 G N -1.964 106.889 108.800 0.088 0.000 2.887 223 G HA2 0.711 4.671 3.960 0.001 0.000 0.277 223 G HA3 0.711 4.671 3.960 0.001 0.000 0.277 223 G C -1.279 173.719 174.900 0.163 0.000 1.346 223 G CA 0.111 45.268 45.100 0.095 0.000 1.058 223 G HN 1.735 nan 8.290 nan 0.000 0.535 224 W N -1.160 120.105 121.300 -0.058 0.000 3.129 224 W HA 0.575 5.236 4.660 0.001 0.000 0.333 224 W C -0.182 176.305 176.519 -0.054 0.000 1.141 224 W CA -0.594 56.711 57.345 -0.066 0.000 1.224 224 W CB 0.975 30.372 29.460 -0.104 0.000 1.393 224 W HN 0.807 nan 8.180 nan 0.000 0.499 225 Q N 4.735 124.066 119.800 -0.782 0.000 2.337 225 Q HA 0.378 4.718 4.340 0.001 0.000 0.255 225 Q C -0.237 174.877 176.000 -1.476 0.000 0.997 225 Q CA -0.696 54.613 55.803 -0.824 0.000 0.925 225 Q CB 0.912 29.366 28.738 -0.474 0.000 1.212 225 Q HN 0.643 nan 8.270 nan 0.000 0.436 226 R N 3.793 123.571 120.500 -1.203 0.000 2.401 226 R HA 0.312 4.652 4.340 0.001 0.000 0.299 226 R C -2.196 173.746 176.300 -0.596 0.000 1.064 226 R CA -1.143 54.333 56.100 -1.040 0.000 1.000 226 R CB 0.264 30.324 30.300 -0.401 0.000 0.973 226 R HN 0.443 nan 8.270 nan 0.000 0.438 227 P HA 0.004 nan 4.420 nan 0.000 0.265 227 P C -0.309 176.848 177.300 -0.239 0.000 1.193 227 P CA 0.112 62.988 63.100 -0.373 0.000 0.765 227 P CB 1.153 32.582 31.700 -0.451 0.000 0.823 228 A N 3.463 126.176 122.820 -0.178 0.000 1.972 228 A HA -0.046 4.274 4.320 0.001 0.000 0.219 228 A C 2.108 179.637 177.584 -0.091 0.000 1.169 228 A CA 1.870 53.833 52.037 -0.123 0.000 0.635 228 A CB -1.317 17.623 19.000 -0.099 0.000 0.810 228 A HN 0.643 nan 8.150 nan 0.000 0.446 229 G N -0.961 107.790 108.800 -0.082 0.000 2.712 229 G HA2 0.360 4.320 3.960 0.001 0.000 0.212 229 G HA3 0.360 4.320 3.960 0.001 0.000 0.212 229 G C 0.653 175.531 174.900 -0.038 0.000 1.142 229 G CA 0.566 45.638 45.100 -0.047 0.000 0.789 229 G HN 0.775 nan 8.290 nan 0.000 0.535 230 A N 1.068 123.852 122.820 -0.060 0.000 2.404 230 A HA 0.462 4.782 4.320 0.001 0.000 0.273 230 A C 1.247 178.788 177.584 -0.071 0.000 1.144 230 A CA 0.100 52.115 52.037 -0.037 0.000 0.806 230 A CB 0.318 19.300 19.000 -0.030 0.000 1.080 230 A HN 0.515 nan 8.150 nan 0.000 0.509 231 E N 2.276 122.414 120.200 -0.102 0.000 2.276 231 E HA 0.068 4.418 4.350 0.001 0.000 0.193 231 E C -0.191 176.245 176.600 -0.273 0.000 0.983 231 E CA 0.466 56.772 56.400 -0.156 0.000 0.861 231 E CB 0.200 29.823 29.700 -0.128 0.000 0.817 231 E HN 0.429 nan 8.360 nan 0.000 0.485 232 K N 1.547 121.687 120.400 -0.434 0.000 2.507 232 K HA 0.419 4.739 4.320 0.001 0.000 0.252 232 K C -1.378 174.984 176.600 -0.397 0.000 0.943 232 K CA -0.731 55.156 56.287 -0.668 0.000 0.808 232 K CB 2.924 34.422 32.500 -1.671 0.000 1.142 232 K HN -0.103 nan 8.250 nan 0.000 0.426 233 V N 2.814 122.608 119.914 -0.199 0.000 2.398 233 V HA 0.330 4.450 4.120 0.001 0.000 0.286 233 V C -0.439 175.614 176.094 -0.070 0.000 1.026 233 V CA -0.938 61.353 62.300 -0.015 0.000 0.868 233 V CB 1.877 33.774 31.823 0.123 0.000 0.982 233 V HN 0.500 nan 8.190 nan 0.000 0.443 234 V N 7.515 127.389 119.914 -0.066 0.000 2.448 234 V HA 0.659 4.779 4.120 0.001 0.000 0.295 234 V C -0.854 175.146 176.094 -0.156 0.000 1.025 234 V CA -0.629 61.591 62.300 -0.134 0.000 0.859 234 V CB 1.648 33.257 31.823 -0.357 0.000 0.988 234 V HN 0.741 nan 8.190 nan 0.000 0.431 235 L N 7.609 128.778 121.223 -0.089 0.000 2.295 235 L HA 0.697 5.037 4.340 0.001 0.000 0.285 235 L C -0.627 176.311 176.870 0.114 0.000 1.035 235 L CA 0.139 54.932 54.840 -0.078 0.000 0.806 235 L CB 1.804 43.751 42.059 -0.186 0.000 1.214 235 L HN 0.516 nan 8.230 nan 0.000 0.426 236 V N 4.363 124.315 119.914 0.063 0.000 2.357 236 V HA 0.657 4.777 4.120 0.001 0.000 0.284 236 V C -0.171 176.018 176.094 0.157 0.000 1.018 236 V CA -0.312 62.081 62.300 0.154 0.000 0.841 236 V CB 1.158 33.054 31.823 0.123 0.000 0.991 236 V HN 0.838 nan 8.190 nan 0.000 0.437 237 S N 5.025 120.879 115.700 0.257 0.000 2.668 237 S HA 0.546 5.016 4.470 0.001 0.000 0.277 237 S C -0.186 174.516 174.600 0.169 0.000 1.170 237 S CA -0.590 57.733 58.200 0.204 0.000 0.994 237 S CB 1.134 64.474 63.200 0.232 0.000 1.051 237 S HN 0.609 nan 8.310 nan 0.000 0.484 238 L N 4.561 125.837 121.223 0.088 0.000 2.728 238 L HA 0.430 4.771 4.340 0.001 0.000 0.235 238 L C 1.396 177.901 176.870 -0.607 0.000 1.197 238 L CA 0.140 54.889 54.840 -0.151 0.000 0.992 238 L CB -0.997 41.055 42.059 -0.011 0.000 1.263 238 L HN 1.026 nan 8.230 nan 0.000 0.484 239 G N 1.229 109.879 108.800 -0.251 0.000 2.499 239 G HA2 -0.323 3.637 3.960 0.001 0.000 0.232 239 G HA3 -0.323 3.637 3.960 0.001 0.000 0.232 239 G C 0.528 175.392 174.900 -0.061 0.000 1.251 239 G CA 0.137 45.147 45.100 -0.151 0.000 0.917 239 G HN 0.357 nan 8.290 nan 0.000 0.580 240 S N -0.910 114.780 115.700 -0.017 0.000 2.523 240 S HA 0.666 5.137 4.470 0.001 0.000 0.217 240 S C 1.710 176.283 174.600 -0.045 0.000 0.996 240 S CA 1.177 59.386 58.200 0.015 0.000 0.921 240 S CB 0.864 64.099 63.200 0.058 0.000 0.829 240 S HN 2.128 nan 8.310 nan 0.000 0.495 241 A N 0.850 123.601 122.820 -0.115 0.000 1.971 241 A HA 0.568 4.888 4.320 0.001 0.000 0.200 241 A C 0.354 177.717 177.584 -0.369 0.000 1.658 241 A CA -0.131 51.731 52.037 -0.292 0.000 0.962 241 A CB -0.261 18.450 19.000 -0.483 0.000 1.053 241 A HN 0.414 nan 8.150 nan 0.000 0.533 242 F N 2.404 122.313 119.950 -0.069 0.000 2.660 242 F HA 0.223 4.751 4.527 0.001 0.000 0.342 242 F C 1.507 177.264 175.800 -0.072 0.000 1.195 242 F CA 0.668 58.630 58.000 -0.063 0.000 1.300 242 F CB 0.393 39.359 39.000 -0.057 0.000 1.616 242 F HN 0.261 nan 8.300 nan 0.000 0.592 243 T N -3.908 110.689 114.554 0.071 0.000 3.044 243 T HA 0.067 4.418 4.350 0.001 0.000 0.260 243 T C 0.873 175.677 174.700 0.173 0.000 1.019 243 T CA -0.376 61.813 62.100 0.149 0.000 0.921 243 T CB -0.068 68.882 68.868 0.136 0.000 1.053 243 T HN 0.209 nan 8.240 nan 0.000 0.533 244 K N 2.391 122.839 120.400 0.081 0.000 2.480 244 K HA 0.137 4.457 4.320 0.001 0.000 0.241 244 K C -0.200 176.383 176.600 -0.029 0.000 1.261 244 K CA -0.168 56.155 56.287 0.060 0.000 1.193 244 K CB -0.033 32.495 32.500 0.047 0.000 1.598 244 K HN 0.152 nan 8.250 nan 0.000 0.278 245 Q N 2.075 121.763 119.800 -0.188 0.000 2.656 245 Q HA 0.123 4.463 4.340 0.001 0.000 0.389 245 Q C -2.112 173.614 176.000 -0.457 0.000 0.883 245 Q CA -1.686 53.909 55.803 -0.347 0.000 1.056 245 Q CB 1.275 29.765 28.738 -0.413 0.000 1.391 245 Q HN 0.410 nan 8.270 nan 0.000 0.399 246 P HA -0.178 nan 4.420 nan 0.000 0.215 246 P C 1.106 178.417 177.300 0.019 0.000 1.153 246 P CA 1.472 64.591 63.100 0.032 0.000 0.853 246 P CB 0.323 32.069 31.700 0.077 0.000 0.788 247 A N -0.330 122.492 122.820 0.003 0.000 1.902 247 A HA -0.184 4.136 4.320 0.001 0.000 0.217 247 A C 2.214 179.817 177.584 0.033 0.000 1.181 247 A CA 1.492 53.542 52.037 0.023 0.000 0.623 247 A CB -1.882 17.133 19.000 0.026 0.000 0.818 247 A HN 0.195 nan 8.150 nan 0.000 0.443 248 F N -0.384 119.487 119.950 -0.133 0.000 2.095 248 F HA -0.236 4.291 4.527 0.001 0.000 0.298 248 F C 2.099 177.891 175.800 -0.013 0.000 1.104 248 F CA 1.868 59.798 58.000 -0.117 0.000 1.232 248 F CB -0.311 38.569 39.000 -0.201 0.000 0.987 248 F HN 0.303 nan 8.300 nan 0.000 0.475 249 Y N 0.818 121.071 120.300 -0.079 0.000 2.207 249 Y HA -0.157 4.393 4.550 0.001 0.000 0.287 249 Y C 2.574 178.377 175.900 -0.162 0.000 1.156 249 Y CA 1.276 59.272 58.100 -0.174 0.000 1.182 249 Y CB -1.262 37.192 38.460 -0.010 0.000 0.979 249 Y HN 0.058 nan 8.280 nan 0.000 0.521 250 R N 0.020 120.546 120.500 0.044 0.000 2.096 250 R HA -0.143 4.197 4.340 0.001 0.000 0.235 250 R C 1.946 178.206 176.300 -0.066 0.000 1.127 250 R CA 1.293 57.392 56.100 -0.002 0.000 0.968 250 R CB -0.180 30.125 30.300 0.009 0.000 0.861 250 R HN 0.322 nan 8.270 nan 0.000 0.440 251 E N 0.255 120.383 120.200 -0.120 0.000 2.150 251 E HA -0.145 4.205 4.350 0.001 0.000 0.193 251 E C 2.116 178.584 176.600 -0.220 0.000 0.985 251 E CA 0.883 57.187 56.400 -0.160 0.000 0.814 251 E CB -0.287 29.328 29.700 -0.142 0.000 0.752 251 E HN 0.350 nan 8.360 nan 0.000 0.466 252 C N 0.362 119.502 119.300 -0.267 0.000 2.453 252 C HA -0.073 4.387 4.460 0.001 0.000 0.277 252 C C 2.854 177.846 174.990 0.003 0.000 1.262 252 C CA 0.399 59.341 59.018 -0.127 0.000 1.718 252 C CB -0.953 26.718 27.740 -0.115 0.000 2.031 252 C HN 0.193 nan 8.230 nan 0.000 0.480 253 V N 1.014 120.915 119.914 -0.021 0.000 2.332 253 V HA -0.242 3.879 4.120 0.001 0.000 0.248 253 V C 2.595 178.664 176.094 -0.041 0.000 1.055 253 V CA 1.878 64.177 62.300 -0.001 0.000 1.038 253 V CB -0.711 31.106 31.823 -0.010 0.000 0.651 253 V HN 0.512 nan 8.190 nan 0.000 0.450 254 R N -0.132 120.312 120.500 -0.093 0.000 2.090 254 R HA -0.029 4.312 4.340 0.001 0.000 0.228 254 R C 2.454 178.625 176.300 -0.216 0.000 1.110 254 R CA 1.283 57.309 56.100 -0.123 0.000 0.973 254 R CB -0.502 29.731 30.300 -0.112 0.000 0.869 254 R HN 0.542 nan 8.270 nan 0.000 0.440 255 A N 0.363 122.972 122.820 -0.352 0.000 1.902 255 A HA -0.122 4.199 4.320 0.001 0.000 0.217 255 A C 1.488 178.597 177.584 -0.792 0.000 1.181 255 A CA 1.314 52.938 52.037 -0.687 0.000 0.623 255 A CB -0.238 18.135 19.000 -1.045 0.000 0.818 255 A HN 0.242 nan 8.150 nan 0.000 0.443 256 F N -0.435 119.416 119.950 -0.164 0.000 2.727 256 F HA 0.294 4.822 4.527 0.000 0.000 0.302 256 F C 1.641 177.399 175.800 -0.071 0.000 1.107 256 F CA -0.469 57.438 58.000 -0.154 0.000 1.277 256 F CB -0.443 38.509 39.000 -0.080 0.000 1.079 256 F HN 0.168 nan 8.300 nan 0.000 0.594 257 G N 0.436 109.275 108.800 0.066 0.000 2.313 257 G HA2 0.122 4.083 3.960 0.001 0.000 0.250 257 G HA3 0.122 4.083 3.960 0.001 0.000 0.250 257 G C 0.367 175.286 174.900 0.032 0.000 1.281 257 G CA 0.104 45.231 45.100 0.045 0.000 0.917 257 G HN 0.576 nan 8.290 nan 0.000 0.501 258 N N -1.513 117.224 118.700 0.063 0.000 2.708 258 N HA -0.205 4.536 4.740 0.001 0.000 0.251 258 N C 0.131 175.682 175.510 0.068 0.000 1.123 258 N CA 0.286 53.374 53.050 0.063 0.000 0.739 258 N CB -0.802 37.705 38.487 0.033 0.000 1.113 258 N HN 0.474 nan 8.380 nan 0.000 0.561 259 L N 1.424 122.700 121.223 0.089 0.000 2.325 259 L HA 0.348 4.689 4.340 0.001 0.000 0.284 259 L C -2.062 174.950 176.870 0.237 0.000 1.089 259 L CA -1.715 53.174 54.840 0.081 0.000 0.836 259 L CB 0.257 42.268 42.059 -0.080 0.000 1.184 259 L HN -0.135 nan 8.230 nan 0.000 0.444 260 P HA 0.184 nan 4.420 nan 0.000 0.260 260 P C 0.731 178.210 177.300 0.299 0.000 1.185 260 P CA 0.940 64.161 63.100 0.201 0.000 0.763 260 P CB 0.572 32.355 31.700 0.138 0.000 0.776 261 G N 1.028 109.964 108.800 0.227 0.000 2.217 261 G HA2 -0.221 3.739 3.960 0.001 0.000 0.246 261 G HA3 -0.221 3.739 3.960 0.001 0.000 0.246 261 G C -0.397 174.558 174.900 0.091 0.000 0.990 261 G CA -0.612 44.572 45.100 0.140 0.000 0.627 261 G HN 0.375 nan 8.290 nan 0.000 0.522 262 W N 0.163 121.530 121.300 0.112 0.000 2.381 262 W HA 0.758 5.418 4.660 0.000 0.000 0.329 262 W C 0.403 177.020 176.519 0.164 0.000 1.157 262 W CA -0.364 57.058 57.345 0.129 0.000 1.240 262 W CB 0.867 30.425 29.460 0.164 0.000 1.199 262 W HN 0.274 nan 8.180 nan 0.000 0.579 263 H N 2.408 121.616 119.070 0.231 0.000 2.840 263 H HA 0.467 5.023 4.556 0.001 0.000 0.340 263 H C -1.613 173.792 175.328 0.127 0.000 1.004 263 H CA -0.915 55.238 56.048 0.175 0.000 1.288 263 H CB 1.149 31.001 29.762 0.151 0.000 1.607 263 H HN 0.347 nan 8.280 nan 0.000 0.522 264 L N 6.336 127.382 121.223 -0.295 0.000 2.272 264 L HA 0.510 4.850 4.340 0.001 0.000 0.289 264 L C -1.351 175.354 176.870 -0.274 0.000 1.032 264 L CA -0.538 54.162 54.840 -0.234 0.000 0.810 264 L CB 1.040 43.032 42.059 -0.111 0.000 1.205 264 L HN 0.500 nan 8.230 nan 0.000 0.422 265 V N 6.542 126.357 119.914 -0.165 0.000 2.370 265 V HA 0.403 4.524 4.120 0.001 0.000 0.283 265 V C -0.458 175.569 176.094 -0.113 0.000 1.023 265 V CA -0.528 61.704 62.300 -0.113 0.000 0.857 265 V CB 1.295 32.977 31.823 -0.234 0.000 0.985 265 V HN 0.611 nan 8.190 nan 0.000 0.443 266 L N 5.053 126.220 121.223 -0.093 0.000 2.318 266 L HA 0.469 4.809 4.340 0.001 0.000 0.277 266 L C -0.174 176.604 176.870 -0.153 0.000 1.008 266 L CA 0.040 54.795 54.840 -0.140 0.000 0.846 266 L CB 1.437 43.395 42.059 -0.169 0.000 1.220 266 L HN 0.674 nan 8.230 nan 0.000 0.423 267 Q N 5.466 125.176 119.800 -0.149 0.000 2.349 267 Q HA 0.270 4.610 4.340 0.001 0.000 0.254 267 Q C 0.356 176.216 176.000 -0.233 0.000 0.980 267 Q CA -0.083 55.646 55.803 -0.123 0.000 0.924 267 Q CB 1.007 29.681 28.738 -0.106 0.000 1.209 267 Q HN 0.875 nan 8.270 nan 0.000 0.445 268 I N 0.897 121.324 120.570 -0.238 0.000 4.082 268 I HA 0.434 4.604 4.170 0.001 0.000 0.337 268 I C 0.810 176.922 176.117 -0.008 0.000 1.352 268 I CA 0.119 61.212 61.300 -0.345 0.000 1.097 268 I CB 0.371 38.108 38.000 -0.439 0.000 1.048 268 I HN 0.662 nan 8.210 nan 0.000 0.393 269 G N 2.566 111.385 108.800 0.032 0.000 2.645 269 G HA2 -0.254 3.707 3.960 0.001 0.000 0.246 269 G HA3 -0.254 3.707 3.960 0.001 0.000 0.246 269 G C 0.379 175.323 174.900 0.075 0.000 1.322 269 G CA 0.116 45.263 45.100 0.079 0.000 0.898 269 G HN 0.357 nan 8.290 nan 0.000 0.573 270 R N -0.169 120.373 120.500 0.069 0.000 2.397 270 R HA 0.154 4.495 4.340 0.001 0.000 0.241 270 R C 1.959 178.291 176.300 0.053 0.000 0.914 270 R CA 0.634 56.767 56.100 0.056 0.000 1.071 270 R CB 0.300 30.626 30.300 0.043 0.000 1.116 270 R HN 0.611 nan 8.270 nan 0.000 0.524 271 K N 0.540 120.978 120.400 0.064 0.000 2.426 271 K HA 0.144 4.465 4.320 0.001 0.000 0.193 271 K C 0.263 176.913 176.600 0.083 0.000 1.028 271 K CA 0.387 56.711 56.287 0.062 0.000 1.047 271 K CB 0.764 33.296 32.500 0.053 0.000 0.821 271 K HN -0.158 nan 8.250 nan 0.000 0.513 272 V N 1.900 121.879 119.914 0.109 0.000 2.540 272 V HA 0.145 4.265 4.120 0.001 0.000 0.302 272 V C 0.043 176.188 176.094 0.085 0.000 1.035 272 V CA -1.030 61.346 62.300 0.127 0.000 0.873 272 V CB 1.754 33.724 31.823 0.244 0.000 0.992 272 V HN 0.218 nan 8.190 nan 0.000 0.428 273 T N 2.095 116.690 114.554 0.068 0.000 2.909 273 T HA 0.408 4.759 4.350 0.001 0.000 0.286 273 T C -1.917 172.806 174.700 0.038 0.000 1.002 273 T CA -1.980 60.147 62.100 0.045 0.000 1.074 273 T CB 1.785 70.675 68.868 0.035 0.000 0.984 273 T HN 0.401 nan 8.240 nan 0.000 0.495 274 P HA -0.043 nan 4.420 nan 0.000 0.218 274 P C 1.585 178.892 177.300 0.012 0.000 1.148 274 P CA 1.222 64.323 63.100 0.002 0.000 0.822 274 P CB -0.220 31.472 31.700 -0.014 0.000 0.784 275 A N -0.011 122.819 122.820 0.017 0.000 2.070 275 A HA -0.207 4.114 4.320 0.001 0.000 0.220 275 A C 1.982 179.581 177.584 0.025 0.000 1.159 275 A CA 1.349 53.396 52.037 0.017 0.000 0.656 275 A CB -1.079 17.931 19.000 0.016 0.000 0.800 275 A HN 0.231 nan 8.150 nan 0.000 0.453 276 E N -0.721 119.501 120.200 0.037 0.000 2.338 276 E HA -0.105 4.245 4.350 0.001 0.000 0.197 276 E C 0.926 177.557 176.600 0.050 0.000 1.007 276 E CA 0.480 56.908 56.400 0.047 0.000 0.849 276 E CB -0.090 29.649 29.700 0.066 0.000 0.774 276 E HN 0.446 nan 8.360 nan 0.000 0.506 277 L N -0.609 120.641 121.223 0.045 0.000 2.509 277 L HA 0.195 4.535 4.340 0.001 0.000 0.222 277 L C 1.059 177.940 176.870 0.019 0.000 1.123 277 L CA 0.884 55.748 54.840 0.040 0.000 0.856 277 L CB -0.366 41.712 42.059 0.031 0.000 0.985 277 L HN 0.126 nan 8.230 nan 0.000 0.456 278 G N -0.987 107.822 108.800 0.015 0.000 2.757 278 G HA2 -0.028 3.932 3.960 0.001 0.000 0.638 278 G HA3 -0.028 3.932 3.960 0.001 0.000 0.638 278 G C -0.055 174.847 174.900 0.004 0.000 1.344 278 G CA -0.435 44.669 45.100 0.008 0.000 0.855 278 G HN 0.393 nan 8.290 nan 0.000 0.537 279 E N -0.448 119.754 120.200 0.003 0.000 2.415 279 E HA 0.458 4.809 4.350 0.001 0.000 0.260 279 E C 0.445 177.046 176.600 0.000 0.000 1.016 279 E CA 0.143 56.544 56.400 0.002 0.000 0.924 279 E CB 0.693 30.395 29.700 0.003 0.000 0.961 279 E HN 1.152 nan 8.360 nan 0.000 0.459 280 L N 4.747 125.969 121.223 -0.002 0.000 2.319 280 L HA 0.357 4.697 4.340 0.001 0.000 0.280 280 L C -1.787 175.087 176.870 0.006 0.000 1.099 280 L CA -1.910 52.928 54.840 -0.004 0.000 0.828 280 L CB 0.944 42.995 42.059 -0.014 0.000 1.150 280 L HN 0.536 nan 8.230 nan 0.000 0.442 281 P HA 0.099 nan 4.420 nan 0.000 0.271 281 P C 0.095 177.415 177.300 0.035 0.000 1.233 281 P CA -0.293 62.821 63.100 0.023 0.000 0.789 281 P CB 0.606 32.323 31.700 0.028 0.000 0.951 282 D N -0.099 120.332 120.400 0.051 0.000 2.182 282 D HA -0.148 4.493 4.640 0.001 0.000 0.201 282 D C 1.104 177.472 176.300 0.113 0.000 0.986 282 D CA 1.124 55.167 54.000 0.072 0.000 0.847 282 D CB -0.416 40.426 40.800 0.070 0.000 0.942 282 D HN 0.451 nan 8.370 nan 0.000 0.467 283 N N 0.406 119.173 118.700 0.112 0.000 2.322 283 N HA -0.016 4.724 4.740 0.001 0.000 0.216 283 N C -0.853 174.598 175.510 -0.098 0.000 1.144 283 N CA 0.023 53.166 53.050 0.156 0.000 0.830 283 N CB 0.347 38.950 38.487 0.194 0.000 1.034 283 N HN -0.075 nan 8.380 nan 0.000 0.484 284 V N 1.003 120.864 119.914 -0.088 0.000 2.577 284 V HA 0.344 4.464 4.120 0.001 0.000 0.303 284 V C -0.586 175.445 176.094 -0.105 0.000 1.042 284 V CA -0.928 61.280 62.300 -0.153 0.000 0.872 284 V CB 1.819 33.606 31.823 -0.059 0.000 0.998 284 V HN 0.385 nan 8.190 nan 0.000 0.423 285 E N 4.109 124.231 120.200 -0.130 0.000 2.248 285 E HA 0.812 5.162 4.350 0.001 0.000 0.267 285 E C -1.780 174.707 176.600 -0.190 0.000 0.877 285 E CA -0.831 55.519 56.400 -0.085 0.000 0.759 285 E CB 2.609 32.372 29.700 0.106 0.000 1.182 285 E HN 0.295 nan 8.360 nan 0.000 0.418 286 V N 3.329 123.051 119.914 -0.321 0.000 2.555 286 V HA 0.402 4.522 4.120 0.001 0.000 0.302 286 V C -0.506 175.279 176.094 -0.516 0.000 1.038 286 V CA -0.655 61.462 62.300 -0.306 0.000 0.887 286 V CB 1.520 33.236 31.823 -0.179 0.000 0.991 286 V HN 0.712 nan 8.190 nan 0.000 0.434 287 H N 2.672 121.716 119.070 -0.044 0.000 2.928 287 H HA 0.316 4.872 4.556 0.001 0.000 0.371 287 H C -0.115 175.211 175.328 -0.004 0.000 1.186 287 H CA -0.590 55.458 56.048 -0.001 0.000 1.134 287 H CB 2.463 32.226 29.762 0.001 0.000 1.824 287 H HN 0.798 nan 8.280 nan 0.000 0.554 288 D N 0.179 120.691 120.400 0.187 0.000 2.323 288 D HA -0.062 4.578 4.640 0.001 0.000 0.209 288 D C 0.463 176.905 176.300 0.237 0.000 0.973 288 D CA 0.365 54.458 54.000 0.155 0.000 0.874 288 D CB 0.955 41.837 40.800 0.137 0.000 0.930 288 D HN 0.401 nan 8.370 nan 0.000 0.521 289 W N 0.541 121.866 121.300 0.042 0.000 3.571 289 W HA 0.432 5.093 4.660 0.001 0.000 0.294 289 W C -1.996 174.490 176.519 -0.054 0.000 1.257 289 W CA -0.950 56.392 57.345 -0.004 0.000 1.206 289 W CB 1.064 30.518 29.460 -0.009 0.000 1.325 289 W HN -0.062 nan 8.180 nan 0.000 0.546 290 V N 2.463 121.750 119.914 -1.045 0.000 3.040 290 V HA 0.778 4.899 4.120 0.001 0.000 0.312 290 V C -2.623 172.401 176.094 -1.783 0.000 1.115 290 V CA -2.684 58.950 62.300 -1.110 0.000 0.998 290 V CB 2.013 33.416 31.823 -0.699 0.000 1.042 290 V HN 0.453 nan 8.190 nan 0.000 0.433 291 P HA 0.197 nan 4.420 nan 0.000 0.268 291 P C 0.155 177.159 177.300 -0.494 0.000 1.541 291 P CA 0.226 62.927 63.100 -0.666 0.000 1.093 291 P CB 1.111 32.696 31.700 -0.191 0.000 1.551 292 Q N 2.501 121.990 119.800 -0.518 0.000 2.079 292 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 292 Q C 1.595 177.388 176.000 -0.345 0.000 0.974 292 Q CA 1.091 56.631 55.803 -0.438 0.000 0.840 292 Q CB -0.272 28.247 28.738 -0.364 0.000 0.898 292 Q HN 0.240 nan 8.270 nan 0.000 0.430 293 L N 0.512 121.597 121.223 -0.230 0.000 2.056 293 L HA -0.040 4.300 4.340 0.001 0.000 0.207 293 L C 2.190 178.973 176.870 -0.146 0.000 1.078 293 L CA 2.108 56.847 54.840 -0.168 0.000 0.749 293 L CB -0.835 41.172 42.059 -0.087 0.000 0.901 293 L HN 0.275 nan 8.230 nan 0.000 0.433 294 A N -0.460 122.287 122.820 -0.121 0.000 1.933 294 A HA -0.155 4.165 4.320 0.001 0.000 0.218 294 A C 2.253 179.806 177.584 -0.051 0.000 1.175 294 A CA 1.958 53.964 52.037 -0.052 0.000 0.628 294 A CB -0.748 18.251 19.000 -0.001 0.000 0.814 294 A HN 0.508 nan 8.150 nan 0.000 0.444 295 I N -0.649 119.798 120.570 -0.205 0.000 2.286 295 I HA -0.185 3.985 4.170 0.001 0.000 0.245 295 I C 2.274 178.211 176.117 -0.300 0.000 1.104 295 I CA 0.884 61.972 61.300 -0.353 0.000 1.397 295 I CB -0.369 37.187 38.000 -0.739 0.000 1.072 295 I HN 0.270 nan 8.210 nan 0.000 0.417 296 L N 0.454 121.478 121.223 -0.331 0.000 2.131 296 L HA -0.165 4.175 4.340 0.001 0.000 0.210 296 L C 2.620 179.390 176.870 -0.167 0.000 1.092 296 L CA 1.181 55.832 54.840 -0.316 0.000 0.759 296 L CB -0.530 41.282 42.059 -0.410 0.000 0.903 296 L HN 0.194 nan 8.230 nan 0.000 0.435 297 R N -0.090 120.343 120.500 -0.112 0.000 2.241 297 R HA -0.136 4.205 4.340 0.001 0.000 0.224 297 R C 1.138 177.429 176.300 -0.015 0.000 1.101 297 R CA 0.846 56.915 56.100 -0.051 0.000 0.995 297 R CB -0.082 30.200 30.300 -0.031 0.000 0.870 297 R HN 0.554 nan 8.270 nan 0.000 0.463 298 Q N -0.899 118.904 119.800 0.006 0.000 2.135 298 Q HA 0.298 4.638 4.340 0.001 0.000 0.222 298 Q C -0.608 175.427 176.000 0.058 0.000 0.808 298 Q CA -0.377 55.474 55.803 0.080 0.000 1.049 298 Q CB 1.852 30.741 28.738 0.252 0.000 1.168 298 Q HN 0.120 nan 8.270 nan 0.000 0.483 299 A N 0.211 123.009 122.820 -0.037 0.000 2.330 299 A HA 0.389 4.709 4.320 0.001 0.000 0.329 299 A C -0.151 177.400 177.584 -0.056 0.000 1.135 299 A CA -0.538 51.458 52.037 -0.069 0.000 0.817 299 A CB 0.909 19.819 19.000 -0.150 0.000 1.269 299 A HN 0.086 nan 8.150 nan 0.000 0.469 300 D N -0.561 119.799 120.400 -0.067 0.000 2.417 300 D HA 0.223 4.864 4.640 0.001 0.000 0.207 300 D C -0.663 175.636 176.300 -0.002 0.000 1.075 300 D CA 0.659 54.619 54.000 -0.068 0.000 0.851 300 D CB 0.823 41.522 40.800 -0.168 0.000 0.976 300 D HN 0.271 nan 8.370 nan 0.000 0.505 301 L N 0.021 121.262 121.223 0.031 0.000 2.545 301 L HA 0.413 4.753 4.340 0.001 0.000 0.258 301 L C -2.198 174.776 176.870 0.173 0.000 0.942 301 L CA -0.791 54.122 54.840 0.122 0.000 0.855 301 L CB 2.759 44.933 42.059 0.192 0.000 1.374 301 L HN -0.157 nan 8.230 nan 0.000 0.411 302 F N 5.490 125.444 119.950 0.006 0.000 2.553 302 F HA 0.651 5.178 4.527 0.000 0.000 0.335 302 F C -1.110 174.715 175.800 0.041 0.000 1.148 302 F CA -0.973 57.023 58.000 -0.007 0.000 0.963 302 F CB 1.533 40.523 39.000 -0.017 0.000 1.217 302 F HN 0.222 nan 8.300 nan 0.000 0.441 303 V N 5.436 125.416 119.914 0.109 0.000 2.353 303 V HA 0.258 4.379 4.120 0.001 0.000 0.264 303 V C 0.179 176.121 176.094 -0.254 0.000 1.049 303 V CA 0.030 62.326 62.300 -0.007 0.000 0.896 303 V CB 1.028 32.969 31.823 0.197 0.000 1.025 303 V HN 0.790 nan 8.190 nan 0.000 0.475 304 T N 2.945 117.197 114.554 -0.503 0.000 2.887 304 T HA 0.356 4.706 4.350 0.001 0.000 0.288 304 T C 0.865 175.439 174.700 -0.210 0.000 1.021 304 T CA -0.567 61.166 62.100 -0.612 0.000 1.000 304 T CB 1.072 69.225 68.868 -1.193 0.000 1.034 304 T HN 0.853 nan 8.240 nan 0.000 0.467 305 H N 2.423 121.347 119.070 -0.244 0.000 2.547 305 H HA 0.307 4.863 4.556 0.001 0.000 0.266 305 H C 1.120 176.299 175.328 -0.249 0.000 0.988 305 H CA 0.698 56.605 56.048 -0.235 0.000 1.147 305 H CB -0.886 28.776 29.762 -0.167 0.000 1.365 305 H HN 0.979 nan 8.280 nan 0.000 0.589 306 A N 0.156 122.678 122.820 -0.497 0.000 2.869 306 A HA -0.126 4.195 4.320 0.001 0.000 0.280 306 A C 1.242 178.479 177.584 -0.579 0.000 1.458 306 A CA 0.865 52.629 52.037 -0.454 0.000 0.776 306 A CB -2.272 16.543 19.000 -0.308 0.000 1.028 306 A HN 0.988 nan 8.150 nan 0.000 0.547 307 G N -2.113 106.093 108.800 -0.990 0.000 2.664 307 G HA2 0.546 4.507 3.960 0.001 0.000 0.242 307 G HA3 0.546 4.507 3.960 0.001 0.000 0.242 307 G C 1.291 176.078 174.900 -0.189 0.000 1.225 307 G CA 0.353 45.159 45.100 -0.490 0.000 0.849 307 G HN 1.809 nan 8.290 nan 0.000 0.581 308 A N 0.791 123.563 122.820 -0.080 0.000 1.908 308 A HA 0.012 4.332 4.320 0.001 0.000 0.218 308 A C 2.625 180.217 177.584 0.013 0.000 1.181 308 A CA 2.444 54.464 52.037 -0.027 0.000 0.627 308 A CB -1.046 17.952 19.000 -0.004 0.000 0.818 308 A HN 1.065 nan 8.150 nan 0.000 0.445 309 G N -0.593 108.232 108.800 0.042 0.000 2.453 309 G HA2 0.014 3.975 3.960 0.001 0.000 0.215 309 G HA3 0.014 3.975 3.960 0.001 0.000 0.215 309 G C 1.602 176.563 174.900 0.101 0.000 1.201 309 G CA 1.285 46.429 45.100 0.073 0.000 0.784 309 G HN 0.734 nan 8.290 nan 0.000 0.545 310 G N 0.556 109.446 108.800 0.150 0.000 2.440 310 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 310 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 310 G C 2.165 177.216 174.900 0.252 0.000 1.154 310 G CA 1.581 46.854 45.100 0.287 0.000 0.767 310 G HN 0.429 nan 8.290 nan 0.000 0.552 311 S N 1.137 116.881 115.700 0.073 0.000 2.359 311 S HA -0.209 4.261 4.470 0.001 0.000 0.224 311 S C 2.416 177.056 174.600 0.067 0.000 1.035 311 S CA 2.005 60.225 58.200 0.034 0.000 1.018 311 S CB -0.326 62.853 63.200 -0.035 0.000 0.876 311 S HN 0.755 nan 8.310 nan 0.000 0.448 312 Q N 1.516 121.350 119.800 0.057 0.000 2.187 312 Q HA 0.053 4.393 4.340 0.001 0.000 0.199 312 Q C 1.507 177.539 176.000 0.053 0.000 0.957 312 Q CA 1.427 57.259 55.803 0.049 0.000 0.857 312 Q CB -0.561 28.203 28.738 0.042 0.000 0.929 312 Q HN 0.521 nan 8.270 nan 0.000 0.453 313 E N 0.738 120.978 120.200 0.067 0.000 2.110 313 E HA -0.098 4.253 4.350 0.001 0.000 0.193 313 E C 2.060 178.672 176.600 0.020 0.000 0.988 313 E CA 1.008 57.423 56.400 0.024 0.000 0.804 313 E CB -0.386 29.306 29.700 -0.013 0.000 0.745 313 E HN 0.633 nan 8.360 nan 0.000 0.458 314 G N 1.093 109.974 108.800 0.136 0.000 2.418 314 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 314 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 314 G C 1.440 176.393 174.900 0.088 0.000 1.158 314 G CA 0.424 45.635 45.100 0.184 0.000 0.771 314 G HN 0.059 nan 8.290 nan 0.000 0.545 315 L N 1.358 122.622 121.223 0.068 0.000 2.046 315 L HA 0.085 4.426 4.340 0.001 0.000 0.208 315 L C 3.244 180.124 176.870 0.018 0.000 1.077 315 L CA 1.633 56.493 54.840 0.034 0.000 0.747 315 L CB -1.192 40.881 42.059 0.022 0.000 0.896 315 L HN 0.308 nan 8.230 nan 0.000 0.432 316 A N -1.275 121.554 122.820 0.015 0.000 2.015 316 A HA -0.148 4.173 4.320 0.001 0.000 0.219 316 A C 2.060 179.641 177.584 -0.006 0.000 1.163 316 A CA 1.866 53.906 52.037 0.005 0.000 0.646 316 A CB -0.787 18.216 19.000 0.005 0.000 0.806 316 A HN 0.525 nan 8.150 nan 0.000 0.448 317 T N -4.638 109.908 114.554 -0.013 0.000 3.105 317 T HA 0.494 4.844 4.350 0.001 0.000 0.253 317 T C 0.780 175.472 174.700 -0.014 0.000 1.047 317 T CA 0.902 62.986 62.100 -0.026 0.000 0.944 317 T CB -0.129 68.702 68.868 -0.062 0.000 1.016 317 T HN 1.723 nan 8.240 nan 0.000 0.544 318 A N 0.591 123.412 122.820 0.001 0.000 2.791 318 A HA -0.120 4.200 4.320 0.001 0.000 0.292 318 A C 0.405 177.998 177.584 0.015 0.000 1.487 318 A CA 0.887 52.928 52.037 0.007 0.000 0.760 318 A CB -2.667 16.333 19.000 0.000 0.000 1.031 318 A HN 0.607 nan 8.150 nan 0.000 0.503 319 T N 1.508 116.081 114.554 0.032 0.000 2.758 319 T HA 0.549 4.899 4.350 0.001 0.000 0.285 319 T C -2.465 172.290 174.700 0.091 0.000 0.981 319 T CA -1.075 61.057 62.100 0.052 0.000 0.965 319 T CB 1.520 70.417 68.868 0.049 0.000 0.927 319 T HN 0.264 nan 8.240 nan 0.000 0.448 320 P HA 0.230 nan 4.420 nan 0.000 0.267 320 P C -0.635 176.734 177.300 0.115 0.000 1.200 320 P CA -0.021 63.130 63.100 0.086 0.000 0.772 320 P CB 0.439 32.190 31.700 0.086 0.000 0.855 321 M N 2.254 121.902 119.600 0.079 0.000 2.464 321 M HA 0.440 4.921 4.480 0.001 0.000 0.308 321 M C -0.497 175.815 176.300 0.020 0.000 1.127 321 M CA -0.498 54.827 55.300 0.042 0.000 0.913 321 M CB 2.068 34.657 32.600 -0.017 0.000 1.689 321 M HN 0.126 nan 8.290 nan 0.000 0.445 322 I N 2.227 122.801 120.570 0.007 0.000 2.330 322 I HA 0.498 4.668 4.170 0.001 0.000 0.289 322 I C -0.127 175.959 176.117 -0.052 0.000 1.001 322 I CA -0.644 60.668 61.300 0.020 0.000 1.193 322 I CB 1.437 39.497 38.000 0.099 0.000 1.345 322 I HN 0.711 nan 8.210 nan 0.000 0.461 323 A N 6.735 129.514 122.820 -0.068 0.000 2.260 323 A HA 0.640 4.960 4.320 0.001 0.000 0.308 323 A C -0.251 177.267 177.584 -0.109 0.000 1.254 323 A CA -0.354 51.608 52.037 -0.125 0.000 0.874 323 A CB 0.739 19.662 19.000 -0.129 0.000 1.153 323 A HN 0.501 nan 8.150 nan 0.000 0.527 324 V N 5.826 125.648 119.914 -0.154 0.000 2.320 324 V HA 0.242 4.362 4.120 0.001 0.000 0.257 324 V C -2.389 173.540 176.094 -0.275 0.000 0.996 324 V CA -1.379 60.801 62.300 -0.200 0.000 0.928 324 V CB 0.746 32.400 31.823 -0.282 0.000 1.169 324 V HN 0.789 nan 8.190 nan 0.000 0.475 325 P HA 0.177 nan 4.420 nan 0.000 0.271 325 P C -0.008 176.895 177.300 -0.662 0.000 1.216 325 P CA 0.146 62.891 63.100 -0.591 0.000 0.776 325 P CB 1.455 32.654 31.700 -0.835 0.000 0.881 326 Q N 0.947 120.343 119.800 -0.672 0.000 2.442 326 Q HA 0.380 4.720 4.340 0.001 0.000 0.228 326 Q C 0.689 176.385 176.000 -0.507 0.000 0.902 326 Q CA 0.708 56.230 55.803 -0.468 0.000 0.933 326 Q CB 0.525 29.071 28.738 -0.319 0.000 1.071 326 Q HN 0.646 nan 8.270 nan 0.000 0.562 327 A N -0.859 121.471 122.820 -0.817 0.000 2.511 327 A HA 0.636 4.957 4.320 0.001 0.000 0.293 327 A C 0.386 177.746 177.584 -0.373 0.000 1.098 327 A CA -0.120 51.625 52.037 -0.486 0.000 0.643 327 A CB -0.021 18.490 19.000 -0.814 0.000 1.302 327 A HN 0.318 nan 8.150 nan 0.000 0.446 328 V N -2.568 117.306 119.914 -0.067 0.000 0.690 328 V HA -0.399 3.721 4.120 0.001 0.000 0.092 328 V C 1.065 177.181 176.094 0.037 0.000 0.787 328 V CA 2.602 64.904 62.300 0.003 0.000 3.100 328 V CB -1.861 29.962 31.823 0.000 0.000 0.193 328 V HN 1.794 nan 8.190 nan 0.000 0.096 329 D N 0.094 120.476 120.400 -0.030 0.000 2.340 329 D HA -0.020 4.621 4.640 0.001 0.000 0.220 329 D C 1.795 178.037 176.300 -0.098 0.000 1.039 329 D CA 1.113 55.102 54.000 -0.018 0.000 0.866 329 D CB 0.149 40.940 40.800 -0.016 0.000 0.913 329 D HN 0.901 nan 8.370 nan 0.000 0.523 330 Q N -0.336 119.303 119.800 -0.268 0.000 2.167 330 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 330 Q C 1.538 177.317 176.000 -0.370 0.000 0.970 330 Q CA 1.163 56.720 55.803 -0.412 0.000 0.855 330 Q CB -0.290 28.078 28.738 -0.616 0.000 0.911 330 Q HN 0.284 nan 8.270 nan 0.000 0.438 331 F N -0.055 119.819 119.950 -0.127 0.000 2.126 331 F HA -0.133 4.394 4.527 0.000 0.000 0.299 331 F C 2.359 178.114 175.800 -0.075 0.000 1.096 331 F CA 1.286 59.227 58.000 -0.098 0.000 1.255 331 F CB -1.018 37.931 39.000 -0.085 0.000 0.997 331 F HN 0.142 nan 8.300 nan 0.000 0.479 332 G N -0.010 108.854 108.800 0.107 0.000 2.418 332 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 332 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 332 G C 1.586 176.487 174.900 0.000 0.000 1.158 332 G CA 0.966 46.097 45.100 0.052 0.000 0.771 332 G HN 0.257 nan 8.290 nan 0.000 0.545 333 N N 1.563 120.239 118.700 -0.041 0.000 2.120 333 N HA -0.091 4.649 4.740 0.001 0.000 0.188 333 N C 2.462 177.924 175.510 -0.079 0.000 1.024 333 N CA 1.406 54.413 53.050 -0.071 0.000 0.852 333 N CB -0.711 37.703 38.487 -0.121 0.000 1.003 333 N HN 0.317 nan 8.380 nan 0.000 0.424 334 A N 1.340 124.102 122.820 -0.096 0.000 1.902 334 A HA -0.162 4.158 4.320 0.001 0.000 0.217 334 A C 1.830 179.388 177.584 -0.042 0.000 1.181 334 A CA 1.718 53.704 52.037 -0.085 0.000 0.623 334 A CB -0.519 18.424 19.000 -0.094 0.000 0.818 334 A HN 0.112 nan 8.150 nan 0.000 0.443 335 D N -0.559 119.831 120.400 -0.017 0.000 2.097 335 D HA -0.142 4.498 4.640 0.001 0.000 0.195 335 D C 2.026 178.306 176.300 -0.033 0.000 0.989 335 D CA 1.223 55.215 54.000 -0.013 0.000 0.827 335 D CB -0.294 40.508 40.800 0.003 0.000 0.966 335 D HN 0.243 nan 8.370 nan 0.000 0.456 336 M N 0.068 119.645 119.600 -0.038 0.000 2.080 336 M HA -0.108 4.372 4.480 0.001 0.000 0.260 336 M C 2.429 178.697 176.300 -0.053 0.000 1.068 336 M CA 1.000 56.268 55.300 -0.053 0.000 1.109 336 M CB -1.048 31.523 32.600 -0.048 0.000 1.342 336 M HN 0.087 nan 8.290 nan 0.000 0.405 337 L N -0.613 120.581 121.223 -0.048 0.000 2.017 337 L HA -0.246 4.094 4.340 0.001 0.000 0.208 337 L C 2.669 179.518 176.870 -0.035 0.000 1.073 337 L CA 1.458 56.273 54.840 -0.041 0.000 0.745 337 L CB -0.695 41.336 42.059 -0.047 0.000 0.894 337 L HN 0.415 nan 8.230 nan 0.000 0.432 338 Q N -0.025 119.755 119.800 -0.034 0.000 2.119 338 Q HA -0.137 4.203 4.340 0.001 0.000 0.201 338 Q C 2.140 178.121 176.000 -0.031 0.000 0.972 338 Q CA 1.474 57.261 55.803 -0.026 0.000 0.847 338 Q CB -0.168 28.558 28.738 -0.020 0.000 0.903 338 Q HN 0.490 nan 8.270 nan 0.000 0.433 339 G N 0.789 109.564 108.800 -0.043 0.000 2.448 339 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 339 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 339 G C 1.266 176.130 174.900 -0.060 0.000 1.127 339 G CA 0.464 45.531 45.100 -0.055 0.000 0.766 339 G HN 0.323 nan 8.290 nan 0.000 0.552 340 L N 0.179 121.369 121.223 -0.056 0.000 2.376 340 L HA 0.183 4.524 4.340 0.001 0.000 0.219 340 L C 2.067 178.915 176.870 -0.037 0.000 1.133 340 L CA 0.595 55.403 54.840 -0.053 0.000 0.816 340 L CB -0.101 41.928 42.059 -0.050 0.000 0.933 340 L HN 0.371 nan 8.230 nan 0.000 0.449 341 G N 0.071 108.854 108.800 -0.028 0.000 2.149 341 G HA2 -0.241 3.719 3.960 0.001 0.000 0.235 341 G HA3 -0.241 3.719 3.960 0.001 0.000 0.235 341 G C 0.555 175.451 174.900 -0.007 0.000 1.018 341 G CA 0.311 45.401 45.100 -0.017 0.000 0.728 341 G HN 0.362 nan 8.290 nan 0.000 0.508 342 V N -4.526 115.385 119.914 -0.006 0.000 3.346 342 V HA 0.858 4.978 4.120 0.001 0.000 0.309 342 V C 0.612 176.715 176.094 0.015 0.000 1.457 342 V CA 0.758 63.062 62.300 0.007 0.000 1.069 342 V CB 0.227 32.053 31.823 0.005 0.000 0.944 342 V HN 2.033 nan 8.190 nan 0.000 0.449 343 A N 0.656 123.480 122.820 0.007 0.000 2.610 343 A HA 0.923 5.243 4.320 0.001 0.000 0.291 343 A C -1.129 176.459 177.584 0.006 0.000 1.086 343 A CA -0.905 51.137 52.037 0.008 0.000 0.677 343 A CB 2.114 21.106 19.000 -0.013 0.000 1.278 343 A HN 0.300 nan 8.150 nan 0.000 0.414 344 R N 1.019 121.526 120.500 0.012 0.000 2.534 344 R HA 0.490 4.830 4.340 0.001 0.000 0.301 344 R C -0.794 175.508 176.300 0.003 0.000 0.961 344 R CA -0.493 55.613 56.100 0.011 0.000 0.871 344 R CB 1.286 31.602 30.300 0.026 0.000 1.170 344 R HN 0.649 nan 8.270 nan 0.000 0.446 345 K N 5.709 126.107 120.400 -0.002 0.000 2.201 345 K HA 0.384 4.705 4.320 0.001 0.000 0.278 345 K C -1.142 175.462 176.600 0.007 0.000 1.027 345 K CA -0.277 56.005 56.287 -0.007 0.000 0.909 345 K CB 0.578 33.075 32.500 -0.006 0.000 1.062 345 K HN 0.643 nan 8.250 nan 0.000 0.465 346 L N 2.528 123.754 121.223 0.006 0.000 2.401 346 L HA 0.476 4.816 4.340 0.001 0.000 0.266 346 L C -0.127 176.747 176.870 0.006 0.000 0.991 346 L CA -1.240 53.611 54.840 0.018 0.000 0.818 346 L CB 1.996 44.081 42.059 0.043 0.000 1.321 346 L HN 0.682 nan 8.230 nan 0.000 0.413 347 A N 1.117 123.948 122.820 0.017 0.000 2.425 347 A HA 0.327 4.648 4.320 0.001 0.000 0.249 347 A C 1.189 178.764 177.584 -0.014 0.000 1.084 347 A CA -0.039 52.007 52.037 0.015 0.000 0.781 347 A CB 0.359 19.372 19.000 0.021 0.000 1.019 347 A HN 0.890 nan 8.150 nan 0.000 0.490 348 T N 1.363 115.873 114.554 -0.073 0.000 2.653 348 T HA -0.266 4.084 4.350 0.001 0.000 0.268 348 T C 1.736 176.441 174.700 0.010 0.000 1.035 348 T CA 2.195 64.219 62.100 -0.127 0.000 1.154 348 T CB -0.462 68.278 68.868 -0.213 0.000 0.862 348 T HN 0.939 nan 8.240 nan 0.000 0.441 349 E N 2.095 122.298 120.200 0.006 0.000 2.130 349 E HA -0.281 4.070 4.350 0.001 0.000 0.196 349 E C 2.030 178.649 176.600 0.032 0.000 0.998 349 E CA 1.743 58.155 56.400 0.021 0.000 0.806 349 E CB -0.438 29.267 29.700 0.008 0.000 0.738 349 E HN 0.838 nan 8.360 nan 0.000 0.459 350 E N 1.083 121.302 120.200 0.031 0.000 2.474 350 E HA 0.132 4.482 4.350 0.001 0.000 0.194 350 E C 0.660 177.287 176.600 0.046 0.000 1.041 350 E CA 0.319 56.736 56.400 0.029 0.000 0.874 350 E CB 0.251 29.961 29.700 0.018 0.000 0.914 350 E HN 0.256 nan 8.360 nan 0.000 0.498 351 A N 2.446 125.321 122.820 0.092 0.000 3.063 351 A HA 0.133 4.453 4.320 0.001 0.000 0.263 351 A C 0.628 178.266 177.584 0.089 0.000 1.736 351 A CA 0.043 52.165 52.037 0.140 0.000 1.408 351 A CB -1.147 18.046 19.000 0.322 0.000 1.108 351 A HN 0.392 nan 8.150 nan 0.000 0.621 352 T N -2.535 112.031 114.554 0.020 0.000 2.813 352 T HA 0.459 4.810 4.350 0.001 0.000 0.297 352 T C 1.464 176.113 174.700 -0.086 0.000 1.036 352 T CA -0.067 62.017 62.100 -0.028 0.000 1.044 352 T CB 1.187 70.035 68.868 -0.033 0.000 0.993 352 T HN 0.734 nan 8.240 nan 0.000 0.535 353 A N 1.178 123.925 122.820 -0.122 0.000 1.908 353 A HA -0.103 4.218 4.320 0.001 0.000 0.218 353 A C 2.032 179.484 177.584 -0.220 0.000 1.181 353 A CA 1.837 53.754 52.037 -0.201 0.000 0.627 353 A CB -1.067 17.823 19.000 -0.184 0.000 0.818 353 A HN 0.907 nan 8.150 nan 0.000 0.445 354 D N -0.586 119.723 120.400 -0.151 0.000 2.097 354 D HA -0.125 4.515 4.640 0.001 0.000 0.195 354 D C 1.807 178.029 176.300 -0.129 0.000 0.989 354 D CA 1.292 55.210 54.000 -0.137 0.000 0.827 354 D CB -0.403 40.343 40.800 -0.091 0.000 0.966 354 D HN 0.341 nan 8.370 nan 0.000 0.456 355 L N 0.253 121.418 121.223 -0.096 0.000 2.109 355 L HA -0.057 4.283 4.340 0.001 0.000 0.207 355 L C 1.901 178.724 176.870 -0.077 0.000 1.086 355 L CA 1.034 55.835 54.840 -0.066 0.000 0.760 355 L CB -0.450 41.591 42.059 -0.030 0.000 0.910 355 L HN -0.032 nan 8.230 nan 0.000 0.437 356 L N -0.145 121.009 121.223 -0.115 0.000 2.017 356 L HA -0.196 4.144 4.340 0.001 0.000 0.208 356 L C 2.788 179.512 176.870 -0.243 0.000 1.073 356 L CA 1.799 56.559 54.840 -0.134 0.000 0.745 356 L CB -1.169 40.766 42.059 -0.207 0.000 0.894 356 L HN 0.373 nan 8.230 nan 0.000 0.432 357 R N -0.353 119.905 120.500 -0.404 0.000 2.073 357 R HA -0.207 4.133 4.340 0.001 0.000 0.234 357 R C 2.250 178.407 176.300 -0.238 0.000 1.134 357 R CA 1.734 57.549 56.100 -0.475 0.000 0.952 357 R CB -0.192 29.823 30.300 -0.475 0.000 0.850 357 R HN 0.494 nan 8.270 nan 0.000 0.433 358 E N -0.530 119.576 120.200 -0.155 0.000 2.049 358 E HA -0.200 4.150 4.350 0.001 0.000 0.198 358 E C 1.518 178.102 176.600 -0.026 0.000 1.007 358 E CA 2.205 58.559 56.400 -0.076 0.000 0.809 358 E CB -0.098 29.566 29.700 -0.059 0.000 0.749 358 E HN 0.327 nan 8.360 nan 0.000 0.450 359 T N 0.783 115.328 114.554 -0.015 0.000 2.708 359 T HA -0.146 4.204 4.350 0.001 0.000 0.266 359 T C 1.899 176.648 174.700 0.082 0.000 1.037 359 T CA 1.455 63.575 62.100 0.034 0.000 1.146 359 T CB -0.454 68.439 68.868 0.041 0.000 0.865 359 T HN 0.402 nan 8.240 nan 0.000 0.435 360 A N 1.562 124.443 122.820 0.101 0.000 1.865 360 A HA -0.072 4.248 4.320 0.001 0.000 0.217 360 A C 2.219 179.958 177.584 0.258 0.000 1.191 360 A CA 1.321 53.491 52.037 0.222 0.000 0.623 360 A CB -0.915 18.251 19.000 0.277 0.000 0.826 360 A HN 0.333 nan 8.150 nan 0.000 0.444 361 L N -0.513 120.790 121.223 0.134 0.000 2.042 361 L HA -0.146 4.195 4.340 0.001 0.000 0.210 361 L C 2.964 179.935 176.870 0.168 0.000 1.076 361 L CA 1.899 56.853 54.840 0.190 0.000 0.749 361 L CB -1.374 40.729 42.059 0.073 0.000 0.893 361 L HN 0.441 nan 8.230 nan 0.000 0.432 362 A N -0.911 121.975 122.820 0.110 0.000 1.858 362 A HA -0.166 4.154 4.320 0.001 0.000 0.216 362 A C 2.340 179.984 177.584 0.100 0.000 1.190 362 A CA 1.612 53.702 52.037 0.087 0.000 0.617 362 A CB -0.721 18.314 19.000 0.058 0.000 0.827 362 A HN 0.380 nan 8.150 nan 0.000 0.443 363 L N 0.124 121.419 121.223 0.119 0.000 2.056 363 L HA -0.146 4.194 4.340 0.001 0.000 0.207 363 L C 2.615 179.555 176.870 0.117 0.000 1.078 363 L CA 1.470 56.376 54.840 0.109 0.000 0.749 363 L CB -0.544 41.586 42.059 0.119 0.000 0.901 363 L HN 0.458 nan 8.230 nan 0.000 0.433 364 V N -4.285 115.730 119.914 0.168 0.000 2.809 364 V HA -0.126 3.994 4.120 0.001 0.000 0.256 364 V C 1.107 177.253 176.094 0.086 0.000 1.080 364 V CA 1.599 63.979 62.300 0.133 0.000 1.102 364 V CB -0.435 31.489 31.823 0.169 0.000 0.705 364 V HN 0.358 nan 8.190 nan 0.000 0.475 365 D N 0.003 120.461 120.400 0.096 0.000 2.440 365 D HA 0.155 4.796 4.640 0.001 0.000 0.216 365 D C 0.109 176.439 176.300 0.050 0.000 1.150 365 D CA 0.078 54.117 54.000 0.066 0.000 0.832 365 D CB 0.275 41.120 40.800 0.075 0.000 0.992 365 D HN 0.497 nan 8.370 nan 0.000 0.502 366 D N 1.941 122.371 120.400 0.050 0.000 2.325 366 D HA 0.051 4.691 4.640 0.001 0.000 0.251 366 D C -1.368 174.948 176.300 0.027 0.000 1.196 366 D CA -1.679 52.343 54.000 0.037 0.000 0.866 366 D CB 2.137 42.960 40.800 0.039 0.000 1.101 366 D HN -0.023 nan 8.370 nan 0.000 0.476 367 P HA -0.102 nan 4.420 nan 0.000 0.222 367 P C 0.995 178.301 177.300 0.010 0.000 1.153 367 P CA 0.644 63.752 63.100 0.014 0.000 0.798 367 P CB 0.648 32.354 31.700 0.011 0.000 0.796 368 E N 0.460 120.666 120.200 0.010 0.000 2.107 368 E HA -0.083 4.267 4.350 0.001 0.000 0.191 368 E C 1.983 178.587 176.600 0.006 0.000 0.982 368 E CA 0.718 57.121 56.400 0.005 0.000 0.809 368 E CB -1.199 28.503 29.700 0.003 0.000 0.756 368 E HN -0.118 nan 8.360 nan 0.000 0.459 369 V N 1.019 120.940 119.914 0.012 0.000 2.282 369 V HA -0.325 3.795 4.120 0.001 0.000 0.249 369 V C 2.389 178.491 176.094 0.013 0.000 1.057 369 V CA 2.071 64.380 62.300 0.015 0.000 1.032 369 V CB -1.045 30.794 31.823 0.026 0.000 0.645 369 V HN 0.466 nan 8.190 nan 0.000 0.447 370 A N -0.120 122.708 122.820 0.014 0.000 1.877 370 A HA -0.264 4.056 4.320 0.001 0.000 0.216 370 A C 2.389 179.976 177.584 0.004 0.000 1.186 370 A CA 2.116 54.158 52.037 0.010 0.000 0.620 370 A CB -0.589 18.416 19.000 0.009 0.000 0.822 370 A HN 0.524 nan 8.150 nan 0.000 0.443 371 R N -0.344 120.157 120.500 0.002 0.000 2.083 371 R HA -0.157 4.183 4.340 0.001 0.000 0.237 371 R C 2.392 178.689 176.300 -0.005 0.000 1.137 371 R CA 1.776 57.875 56.100 -0.002 0.000 0.951 371 R CB -0.299 30.000 30.300 -0.002 0.000 0.851 371 R HN 0.528 nan 8.270 nan 0.000 0.434 372 R N 0.215 120.711 120.500 -0.006 0.000 2.091 372 R HA -0.130 4.210 4.340 0.001 0.000 0.238 372 R C 2.464 178.758 176.300 -0.009 0.000 1.136 372 R CA 1.736 57.830 56.100 -0.011 0.000 0.959 372 R CB -0.477 29.815 30.300 -0.013 0.000 0.856 372 R HN 0.280 nan 8.270 nan 0.000 0.437 373 L N 0.283 121.504 121.223 -0.002 0.000 2.046 373 L HA -0.163 4.177 4.340 0.001 0.000 0.208 373 L C 2.610 179.479 176.870 -0.002 0.000 1.077 373 L CA 1.375 56.215 54.840 0.001 0.000 0.747 373 L CB -0.292 41.773 42.059 0.010 0.000 0.896 373 L HN 0.156 nan 8.230 nan 0.000 0.432 374 R N -0.586 119.912 120.500 -0.003 0.000 2.092 374 R HA -0.161 4.179 4.340 0.001 0.000 0.231 374 R C 2.362 178.658 176.300 -0.006 0.000 1.119 374 R CA 1.066 57.164 56.100 -0.004 0.000 0.970 374 R CB -0.349 29.949 30.300 -0.004 0.000 0.864 374 R HN 0.326 nan 8.270 nan 0.000 0.440 375 R N 1.328 121.823 120.500 -0.009 0.000 2.070 375 R HA -0.120 4.220 4.340 0.001 0.000 0.233 375 R C 2.196 178.486 176.300 -0.016 0.000 1.137 375 R CA 1.526 57.618 56.100 -0.013 0.000 0.945 375 R CB -0.283 30.007 30.300 -0.017 0.000 0.845 375 R HN 0.140 nan 8.270 nan 0.000 0.430 376 I N 0.994 121.553 120.570 -0.018 0.000 2.208 376 I HA -0.327 3.843 4.170 0.001 0.000 0.245 376 I C 2.842 178.953 176.117 -0.011 0.000 1.097 376 I CA 1.580 62.868 61.300 -0.021 0.000 1.363 376 I CB -0.472 37.515 38.000 -0.021 0.000 1.051 376 I HN 0.428 nan 8.210 nan 0.000 0.413 377 Q N 1.217 121.014 119.800 -0.006 0.000 2.096 377 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 377 Q C 2.297 178.296 176.000 -0.000 0.000 0.982 377 Q CA 2.135 57.938 55.803 -0.002 0.000 0.850 377 Q CB -0.111 28.626 28.738 -0.002 0.000 0.901 377 Q HN 0.564 nan 8.270 nan 0.000 0.422 378 A N 0.629 123.448 122.820 -0.003 0.000 1.898 378 A HA -0.198 4.122 4.320 0.001 0.000 0.216 378 A C 1.791 179.376 177.584 0.001 0.000 1.181 378 A CA 1.485 53.522 52.037 -0.000 0.000 0.620 378 A CB -0.507 18.491 19.000 -0.002 0.000 0.819 378 A HN 0.546 nan 8.150 nan 0.000 0.442 379 E N -0.494 119.703 120.200 -0.004 0.000 2.058 379 E HA -0.225 4.125 4.350 0.001 0.000 0.194 379 E C 2.096 178.700 176.600 0.007 0.000 0.997 379 E CA 1.742 58.139 56.400 -0.004 0.000 0.801 379 E CB -0.304 29.382 29.700 -0.022 0.000 0.746 379 E HN 0.656 nan 8.360 nan 0.000 0.450 380 M N 0.215 119.819 119.600 0.007 0.000 2.159 380 M HA -0.150 4.331 4.480 0.001 0.000 0.263 380 M C 2.470 178.785 176.300 0.024 0.000 1.063 380 M CA 1.322 56.634 55.300 0.020 0.000 1.110 380 M CB -0.223 32.387 32.600 0.016 0.000 1.374 380 M HN 0.127 nan 8.290 nan 0.000 0.411 381 A N -0.111 122.719 122.820 0.017 0.000 1.972 381 A HA -0.164 4.156 4.320 0.001 0.000 0.219 381 A C 2.101 179.698 177.584 0.023 0.000 1.169 381 A CA 1.298 53.346 52.037 0.018 0.000 0.635 381 A CB -0.425 18.582 19.000 0.012 0.000 0.810 381 A HN 0.463 nan 8.150 nan 0.000 0.446 382 Q N -0.352 119.463 119.800 0.024 0.000 2.311 382 Q HA -0.074 4.266 4.340 0.001 0.000 0.203 382 Q C 1.663 177.687 176.000 0.041 0.000 0.954 382 Q CA 1.102 56.923 55.803 0.029 0.000 0.885 382 Q CB -0.228 28.525 28.738 0.026 0.000 0.963 382 Q HN 0.815 nan 8.270 nan 0.000 0.471 383 E N -0.168 120.061 120.200 0.049 0.000 2.077 383 E HA -0.119 4.231 4.350 0.001 0.000 0.193 383 E C 1.084 177.721 176.600 0.061 0.000 0.989 383 E CA 0.925 57.368 56.400 0.071 0.000 0.800 383 E CB 0.011 29.765 29.700 0.090 0.000 0.746 383 E HN 0.530 nan 8.360 nan 0.000 0.452 384 G N 0.030 108.859 108.800 0.048 0.000 2.195 384 G HA2 -0.284 3.676 3.960 0.001 0.000 0.246 384 G HA3 -0.284 3.676 3.960 0.001 0.000 0.246 384 G C 0.790 175.713 174.900 0.040 0.000 0.984 384 G CA 0.167 45.291 45.100 0.040 0.000 0.633 384 G HN 0.765 nan 8.290 nan 0.000 0.525 385 G N -0.571 108.256 108.800 0.045 0.000 2.614 385 G HA2 -0.202 3.758 3.960 0.001 0.000 0.303 385 G HA3 -0.202 3.758 3.960 0.001 0.000 0.303 385 G C 1.245 176.168 174.900 0.038 0.000 1.270 385 G CA 2.005 47.131 45.100 0.043 0.000 0.988 385 G HN 1.409 nan 8.290 nan 0.000 0.551 386 T N 1.006 115.583 114.554 0.038 0.000 2.635 386 T HA -0.142 4.208 4.350 0.001 0.000 0.267 386 T C 2.481 177.204 174.700 0.037 0.000 1.040 386 T CA 2.168 64.291 62.100 0.038 0.000 1.156 386 T CB -0.246 68.647 68.868 0.041 0.000 0.863 386 T HN 0.580 nan 8.240 nan 0.000 0.430 387 R N 0.417 120.939 120.500 0.036 0.000 2.096 387 R HA 0.027 4.368 4.340 0.001 0.000 0.235 387 R C 2.693 179.014 176.300 0.035 0.000 1.127 387 R CA 1.222 57.344 56.100 0.037 0.000 0.968 387 R CB -0.220 30.101 30.300 0.033 0.000 0.861 387 R HN 0.283 nan 8.270 nan 0.000 0.440 388 R N 0.783 121.303 120.500 0.033 0.000 2.090 388 R HA -0.046 4.294 4.340 0.001 0.000 0.228 388 R C 2.185 178.500 176.300 0.026 0.000 1.110 388 R CA 1.311 57.429 56.100 0.031 0.000 0.973 388 R CB -0.196 30.125 30.300 0.034 0.000 0.869 388 R HN 0.212 nan 8.270 nan 0.000 0.440 389 A N 0.783 123.618 122.820 0.024 0.000 1.908 389 A HA -0.130 4.190 4.320 0.001 0.000 0.218 389 A C 2.373 179.963 177.584 0.009 0.000 1.181 389 A CA 1.761 53.805 52.037 0.012 0.000 0.627 389 A CB -0.940 18.067 19.000 0.012 0.000 0.818 389 A HN 0.533 nan 8.150 nan 0.000 0.445 390 A N 0.038 122.871 122.820 0.023 0.000 1.902 390 A HA -0.196 4.124 4.320 0.001 0.000 0.217 390 A C 1.760 179.361 177.584 0.029 0.000 1.181 390 A CA 1.962 54.017 52.037 0.029 0.000 0.623 390 A CB -0.669 18.364 19.000 0.055 0.000 0.818 390 A HN 0.463 nan 8.150 nan 0.000 0.443 391 D N 0.060 120.480 120.400 0.034 0.000 2.123 391 D HA -0.141 4.500 4.640 0.001 0.000 0.196 391 D C 1.855 178.165 176.300 0.017 0.000 0.992 391 D CA 1.181 55.201 54.000 0.033 0.000 0.833 391 D CB -0.349 40.469 40.800 0.031 0.000 0.954 391 D HN 0.466 nan 8.370 nan 0.000 0.455 392 L N 0.091 121.318 121.223 0.007 0.000 2.156 392 L HA -0.036 4.304 4.340 0.001 0.000 0.208 392 L C 2.404 179.261 176.870 -0.022 0.000 1.095 392 L CA 0.388 55.225 54.840 -0.005 0.000 0.770 392 L CB -0.132 41.923 42.059 -0.008 0.000 0.914 392 L HN 0.009 nan 8.230 nan 0.000 0.439 393 I N -0.283 120.270 120.570 -0.029 0.000 2.252 393 I HA -0.263 3.907 4.170 0.001 0.000 0.245 393 I C 2.375 178.455 176.117 -0.061 0.000 1.102 393 I CA 1.308 62.575 61.300 -0.054 0.000 1.385 393 I CB -0.226 37.734 38.000 -0.066 0.000 1.064 393 I HN 0.252 nan 8.210 nan 0.000 0.414 394 E N 0.898 121.072 120.200 -0.042 0.000 2.110 394 E HA -0.213 4.138 4.350 0.001 0.000 0.193 394 E C 2.255 178.852 176.600 -0.004 0.000 0.988 394 E CA 1.199 57.584 56.400 -0.024 0.000 0.804 394 E CB -0.193 29.537 29.700 0.051 0.000 0.745 394 E HN 0.517 nan 8.360 nan 0.000 0.458 395 A N 1.218 124.036 122.820 -0.002 0.000 2.125 395 A HA -0.159 4.161 4.320 0.001 0.000 0.219 395 A C 1.694 179.273 177.584 -0.010 0.000 1.156 395 A CA 1.014 53.051 52.037 -0.000 0.000 0.671 395 A CB -0.065 18.936 19.000 0.001 0.000 0.794 395 A HN 0.057 nan 8.150 nan 0.000 0.459 396 E N -0.501 119.686 120.200 -0.023 0.000 2.474 396 E HA 0.163 4.514 4.350 0.001 0.000 0.194 396 E C 0.134 176.720 176.600 -0.024 0.000 1.041 396 E CA -0.123 56.261 56.400 -0.028 0.000 0.874 396 E CB -0.063 29.612 29.700 -0.041 0.000 0.914 396 E HN 0.576 nan 8.360 nan 0.000 0.498 397 L N 3.000 124.210 121.223 -0.022 0.000 2.453 397 L HA 0.080 4.420 4.340 0.001 0.000 0.272 397 L C -1.644 175.226 176.870 0.001 0.000 1.182 397 L CA -1.299 53.532 54.840 -0.014 0.000 0.858 397 L CB -0.171 41.884 42.059 -0.008 0.000 1.120 397 L HN -0.104 nan 8.230 nan 0.000 0.474 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.106 63.100 0.010 0.000 0.800 398 P CB 0.000 31.706 31.700 0.010 0.000 0.726