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 3p24_1_A DATA FIRST_RESID 33 DATA SEQUENCE PVTASIDLQS VSYTDLATQL NDVSDFGKMI ILKDNGFNRQ VHVSMDKRTK DATA SEQUENCE IQLDNENVRL FNGRDKDSTN FILGDEFAVL RFYRNGESIS YIAYKEAQMM DATA SEQUENCE NEIAEFYAAP FKKTRAINEK EAFECIYDSR TRSAGKYPVS VKINVDKAKK DATA SEQUENCE ILNLPECDYI NDYIKTPQVX XXXXXXXTRA VPSEPKTVYV ICLRENGSTV DATA SEQUENCE YPNEVSAQMQ DAANSVYAVH GLKRYVNLHF VLYTTEYACP SGNADEGLDG DATA SEQUENCE FTASLKANPK AEGYDDQIYF LIRWGTWDNN ILGISWLNSY NVNTASDFKA DATA SEQUENCE SGMSTTQLMY PGVMAHELGH ILGANHADDP KDLMYSKYTG YLFHLSEKNM DATA SEQUENCE DIIAKNLGWE IADGD 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.286 177.300 -0.023 0.000 1.155 33 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 33 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 34 V N 1.895 121.793 119.914 -0.026 0.000 2.509 34 V HA 0.361 4.482 4.120 0.001 0.000 0.284 34 V C 0.724 176.798 176.094 -0.033 0.000 1.047 34 V CA 0.155 62.438 62.300 -0.028 0.000 0.952 34 V CB 1.672 33.479 31.823 -0.028 0.000 0.988 34 V HN 0.745 nan 8.190 nan 0.000 0.469 35 T N 5.028 119.561 114.554 -0.034 0.000 2.870 35 T HA 0.380 4.731 4.350 0.001 0.000 0.300 35 T C 0.510 175.180 174.700 -0.050 0.000 0.989 35 T CA 0.033 62.109 62.100 -0.039 0.000 1.139 35 T CB 0.896 69.742 68.868 -0.037 0.000 0.920 35 T HN 0.979 nan 8.240 nan 0.000 0.537 36 A N 3.669 126.453 122.820 -0.060 0.000 2.555 36 A HA 0.476 4.796 4.320 0.001 0.000 0.233 36 A C 0.742 178.280 177.584 -0.078 0.000 1.060 36 A CA -0.303 51.689 52.037 -0.075 0.000 0.759 36 A CB -0.075 18.867 19.000 -0.096 0.000 0.995 36 A HN 1.007 nan 8.150 nan 0.000 0.506 37 S N 0.719 116.372 115.700 -0.079 0.000 2.588 37 S HA 0.759 5.229 4.470 0.001 0.000 0.275 37 S C -0.860 173.691 174.600 -0.082 0.000 1.130 37 S CA -0.687 57.467 58.200 -0.077 0.000 0.855 37 S CB 1.213 64.375 63.200 -0.063 0.000 1.116 37 S HN 0.618 nan 8.310 nan 0.000 0.472 38 I N 1.904 122.425 120.570 -0.082 0.000 2.410 38 I HA 0.324 4.495 4.170 0.001 0.000 0.286 38 I C -1.085 174.983 176.117 -0.083 0.000 1.009 38 I CA -0.457 60.792 61.300 -0.086 0.000 1.111 38 I CB 1.766 39.713 38.000 -0.088 0.000 1.262 38 I HN 0.687 nan 8.210 nan 0.000 0.443 39 D N 7.088 127.450 120.400 -0.064 0.000 2.365 39 D HA 0.206 4.846 4.640 0.001 0.000 0.237 39 D C 0.827 177.092 176.300 -0.058 0.000 1.190 39 D CA -0.048 53.926 54.000 -0.043 0.000 0.867 39 D CB 1.130 41.919 40.800 -0.019 0.000 1.050 39 D HN 0.453 nan 8.370 nan 0.000 0.491 40 L N 2.691 123.864 121.223 -0.084 0.000 2.465 40 L HA -0.061 4.280 4.340 0.001 0.000 0.224 40 L C 2.065 178.948 176.870 0.023 0.000 1.145 40 L CA 0.387 55.134 54.840 -0.155 0.000 0.834 40 L CB -0.095 41.783 42.059 -0.302 0.000 0.944 40 L HN 0.351 nan 8.230 nan 0.000 0.451 41 Q N -0.056 119.771 119.800 0.044 0.000 2.436 41 Q HA -0.041 4.300 4.340 0.001 0.000 0.209 41 Q C 1.636 177.676 176.000 0.067 0.000 0.965 41 Q CA 1.218 57.062 55.803 0.069 0.000 0.910 41 Q CB 0.284 29.057 28.738 0.058 0.000 0.980 41 Q HN 0.603 nan 8.270 nan 0.000 0.491 42 S N -2.060 113.668 115.700 0.047 0.000 3.009 42 S HA 0.141 4.612 4.470 0.001 0.000 0.254 42 S C 0.079 174.703 174.600 0.040 0.000 1.004 42 S CA -0.521 57.710 58.200 0.051 0.000 1.119 42 S CB 0.215 63.442 63.200 0.046 0.000 1.075 42 S HN 0.015 nan 8.310 nan 0.000 0.618 43 V N 4.161 124.092 119.914 0.029 0.000 2.493 43 V HA 0.516 4.637 4.120 0.001 0.000 0.292 43 V C 0.294 176.422 176.094 0.056 0.000 1.016 43 V CA 0.695 63.003 62.300 0.013 0.000 1.097 43 V CB 0.467 32.263 31.823 -0.045 0.000 0.947 43 V HN 0.760 nan 8.190 nan 0.000 0.479 44 S N 5.744 121.473 115.700 0.048 0.000 2.739 44 S HA 0.379 4.849 4.470 0.001 0.000 0.306 44 S C 0.582 175.236 174.600 0.090 0.000 1.115 44 S CA -0.121 58.135 58.200 0.093 0.000 0.985 44 S CB 1.056 64.313 63.200 0.095 0.000 1.133 44 S HN 0.798 nan 8.310 nan 0.000 0.541 45 Y N 1.711 122.046 120.300 0.058 0.000 2.128 45 Y HA -0.185 4.366 4.550 0.001 0.000 0.284 45 Y C 2.781 178.683 175.900 0.004 0.000 1.154 45 Y CA 2.875 60.997 58.100 0.037 0.000 1.149 45 Y CB -1.149 37.345 38.460 0.057 0.000 0.976 45 Y HN 0.911 nan 8.280 nan 0.000 0.505 46 T N -2.461 112.102 114.554 0.015 0.000 2.788 46 T HA -0.176 4.175 4.350 0.001 0.000 0.268 46 T C 1.569 176.178 174.700 -0.152 0.000 1.044 46 T CA 1.447 63.508 62.100 -0.065 0.000 1.139 46 T CB -0.543 68.362 68.868 0.063 0.000 0.867 46 T HN 0.326 nan 8.240 nan 0.000 0.454 47 D N 1.681 122.016 120.400 -0.109 0.000 2.092 47 D HA -0.021 4.620 4.640 0.001 0.000 0.193 47 D C 2.190 178.375 176.300 -0.191 0.000 0.994 47 D CA 1.054 54.983 54.000 -0.118 0.000 0.828 47 D CB -0.472 40.285 40.800 -0.072 0.000 0.963 47 D HN 0.365 nan 8.370 nan 0.000 0.450 48 L N 0.703 121.789 121.223 -0.227 0.000 2.046 48 L HA -0.147 4.194 4.340 0.001 0.000 0.208 48 L C 2.583 179.211 176.870 -0.404 0.000 1.077 48 L CA 1.223 55.898 54.840 -0.275 0.000 0.747 48 L CB -0.410 41.533 42.059 -0.193 0.000 0.896 48 L HN -0.029 nan 8.230 nan 0.000 0.432 49 A N 0.157 122.653 122.820 -0.539 0.000 1.877 49 A HA -0.226 4.095 4.320 0.001 0.000 0.216 49 A C 2.464 179.860 177.584 -0.313 0.000 1.186 49 A CA 2.336 54.075 52.037 -0.496 0.000 0.620 49 A CB -1.076 17.526 19.000 -0.664 0.000 0.822 49 A HN 0.528 nan 8.150 nan 0.000 0.443 50 T N -2.809 111.593 114.554 -0.253 0.000 2.821 50 T HA -0.172 4.179 4.350 0.001 0.000 0.267 50 T C 1.879 176.460 174.700 -0.199 0.000 1.046 50 T CA 1.462 63.457 62.100 -0.175 0.000 1.139 50 T CB -0.311 68.483 68.868 -0.124 0.000 0.871 50 T HN 0.413 nan 8.240 nan 0.000 0.454 51 Q N 1.016 120.667 119.800 -0.249 0.000 2.049 51 Q HA 0.198 4.538 4.340 0.001 0.000 0.198 51 Q C 2.609 178.378 176.000 -0.386 0.000 0.971 51 Q CA 0.990 56.625 55.803 -0.280 0.000 0.833 51 Q CB -0.530 28.036 28.738 -0.285 0.000 0.896 51 Q HN 0.530 nan 8.270 nan 0.000 0.434 52 L N 1.126 122.031 121.223 -0.530 0.000 2.093 52 L HA -0.145 4.196 4.340 0.001 0.000 0.208 52 L C 1.842 178.428 176.870 -0.473 0.000 1.085 52 L CA 0.704 55.069 54.840 -0.791 0.000 0.755 52 L CB -0.447 40.926 42.059 -1.144 0.000 0.904 52 L HN 0.181 nan 8.230 nan 0.000 0.435 53 N N -0.109 118.428 118.700 -0.272 0.000 2.453 53 N HA -0.184 4.557 4.740 0.001 0.000 0.183 53 N C 1.200 176.662 175.510 -0.080 0.000 1.041 53 N CA 1.098 54.084 53.050 -0.107 0.000 0.900 53 N CB -0.166 38.272 38.487 -0.081 0.000 0.961 53 N HN 0.322 nan 8.380 nan 0.000 0.443 54 D N -0.244 120.079 120.400 -0.128 0.000 2.340 54 D HA 0.017 4.658 4.640 0.001 0.000 0.220 54 D C -0.297 175.958 176.300 -0.075 0.000 1.039 54 D CA -0.005 53.941 54.000 -0.091 0.000 0.866 54 D CB 0.440 41.176 40.800 -0.106 0.000 0.913 54 D HN -0.178 nan 8.370 nan 0.000 0.523 55 V N 1.887 121.746 119.914 -0.092 0.000 2.446 55 V HA 0.145 4.266 4.120 0.001 0.000 0.276 55 V C 0.900 177.018 176.094 0.041 0.000 1.030 55 V CA -0.213 62.060 62.300 -0.044 0.000 1.033 55 V CB 0.593 32.390 31.823 -0.043 0.000 0.993 55 V HN 0.257 nan 8.190 nan 0.000 0.477 56 S N 3.041 118.775 115.700 0.058 0.000 0.000 56 S HA 0.248 4.719 4.470 0.001 0.000 0.000 56 S C 0.765 175.418 174.600 0.089 0.000 0.000 56 S CA -0.585 57.682 58.200 0.112 0.000 0.000 56 S CB 0.949 64.270 63.200 0.202 0.000 0.000 56 S HN 0.623 nan 8.310 nan 0.000 0.000 57 D N -0.132 120.289 120.400 0.034 0.000 2.310 57 D HA 0.058 4.699 4.640 0.001 0.000 0.212 57 D C 0.582 176.678 176.300 -0.340 0.000 0.965 57 D CA 0.944 54.814 54.000 -0.216 0.000 0.879 57 D CB -0.357 40.195 40.800 -0.413 0.000 0.921 57 D HN 0.580 nan 8.370 nan 0.000 0.510 58 F N -0.170 119.800 119.950 0.034 0.000 2.664 58 F HA 0.350 4.878 4.527 0.001 0.000 0.303 58 F C 1.616 177.480 175.800 0.106 0.000 1.092 58 F CA 0.073 58.112 58.000 0.065 0.000 1.305 58 F CB 0.061 39.091 39.000 0.051 0.000 1.054 58 F HN -0.129 nan 8.300 nan 0.000 0.565 59 G N 1.406 110.305 108.800 0.165 0.000 2.829 59 G HA2 -0.189 3.772 3.960 0.001 0.000 0.628 59 G HA3 -0.189 3.772 3.960 0.001 0.000 0.628 59 G C -0.811 174.001 174.900 -0.147 0.000 1.412 59 G CA -0.634 44.440 45.100 -0.044 0.000 0.864 59 G HN 0.338 nan 8.290 nan 0.000 0.544 60 K N -0.698 119.438 120.400 -0.440 0.000 2.550 60 K HA 0.550 4.871 4.320 0.001 0.000 0.252 60 K C -0.593 175.826 176.600 -0.303 0.000 0.943 60 K CA -1.029 55.105 56.287 -0.255 0.000 0.806 60 K CB 1.452 33.842 32.500 -0.183 0.000 1.289 60 K HN 0.592 nan 8.250 nan 0.000 0.435 61 M N 4.820 124.353 119.600 -0.112 0.000 2.188 61 M HA 0.395 4.875 4.480 0.001 0.000 0.354 61 M C -0.987 175.269 176.300 -0.074 0.000 1.342 61 M CA 0.065 55.342 55.300 -0.037 0.000 1.117 61 M CB 0.387 33.011 32.600 0.041 0.000 1.670 61 M HN 0.441 nan 8.290 nan 0.000 0.466 62 I N 5.640 126.168 120.570 -0.070 0.000 2.533 62 I HA 0.383 4.553 4.170 0.001 0.000 0.290 62 I C -0.899 175.184 176.117 -0.058 0.000 1.056 62 I CA -0.675 60.577 61.300 -0.081 0.000 1.057 62 I CB 1.876 39.804 38.000 -0.120 0.000 1.240 62 I HN 0.562 nan 8.210 nan 0.000 0.423 63 I N 6.443 126.970 120.570 -0.071 0.000 2.325 63 I HA 0.247 4.418 4.170 0.001 0.000 0.291 63 I C -0.261 175.797 176.117 -0.098 0.000 1.019 63 I CA -0.336 60.913 61.300 -0.086 0.000 1.302 63 I CB 0.778 38.727 38.000 -0.085 0.000 1.401 63 I HN 0.272 nan 8.210 nan 0.000 0.485 64 L N 7.968 129.115 121.223 -0.128 0.000 2.281 64 L HA 0.412 4.752 4.340 0.001 0.000 0.285 64 L C -0.157 176.655 176.870 -0.096 0.000 1.074 64 L CA -0.443 54.315 54.840 -0.137 0.000 0.817 64 L CB 0.237 42.153 42.059 -0.239 0.000 1.168 64 L HN 0.532 nan 8.230 nan 0.000 0.434 65 K N 2.469 122.848 120.400 -0.035 0.000 2.316 65 K HA 0.500 4.820 4.320 0.001 0.000 0.251 65 K C -1.242 175.434 176.600 0.127 0.000 0.934 65 K CA -0.820 55.483 56.287 0.027 0.000 0.802 65 K CB 2.435 34.926 32.500 -0.013 0.000 1.171 65 K HN 0.327 nan 8.250 nan 0.000 0.426 66 D N 2.632 123.183 120.400 0.251 0.000 2.381 66 D HA 0.200 4.840 4.640 0.001 0.000 0.245 66 D C -0.188 176.224 176.300 0.188 0.000 1.297 66 D CA 0.037 54.167 54.000 0.217 0.000 0.931 66 D CB 0.083 41.032 40.800 0.249 0.000 1.334 66 D HN 0.618 nan 8.370 nan 0.000 0.535 67 N N 1.450 120.217 118.700 0.112 0.000 1.241 67 N HA -0.262 4.478 4.740 0.001 0.000 0.135 67 N C 1.429 176.995 175.510 0.094 0.000 0.723 67 N CA 1.872 54.973 53.050 0.085 0.000 0.950 67 N CB -1.225 37.307 38.487 0.075 0.000 1.215 67 N HN 0.494 nan 8.380 nan 0.000 0.520 68 G N 0.219 109.079 108.800 0.100 0.000 2.471 68 G HA2 -0.030 3.931 3.960 0.001 0.000 0.219 68 G HA3 -0.030 3.931 3.960 0.001 0.000 0.219 68 G C 0.514 175.482 174.900 0.114 0.000 1.125 68 G CA 0.525 45.676 45.100 0.086 0.000 0.775 68 G HN 0.457 nan 8.290 nan 0.000 0.548 69 F N 1.128 121.092 119.950 0.024 0.000 2.443 69 F HA 0.512 5.040 4.527 0.001 0.000 0.353 69 F C -0.165 175.640 175.800 0.008 0.000 1.101 69 F CA -1.052 56.966 58.000 0.031 0.000 1.226 69 F CB 0.726 39.763 39.000 0.063 0.000 1.140 69 F HN 0.022 nan 8.300 nan 0.000 0.557 70 N N 4.707 122.890 118.700 -0.863 0.000 2.425 70 N HA 0.376 5.116 4.740 0.001 0.000 0.289 70 N C -1.848 173.184 175.510 -0.796 0.000 1.074 70 N CA -0.837 51.820 53.050 -0.655 0.000 0.905 70 N CB 1.120 39.432 38.487 -0.291 0.000 1.586 70 N HN 0.756 nan 8.380 nan 0.000 0.490 71 R N 2.724 122.849 120.500 -0.625 0.000 2.533 71 R HA 0.264 4.605 4.340 0.001 0.000 0.288 71 R C -1.507 174.676 176.300 -0.195 0.000 1.039 71 R CA -0.576 55.297 56.100 -0.380 0.000 0.909 71 R CB 1.464 31.572 30.300 -0.320 0.000 1.195 71 R HN 0.596 nan 8.270 nan 0.000 0.438 72 Q N 3.489 123.218 119.800 -0.118 0.000 2.274 72 Q HA 0.416 4.757 4.340 0.001 0.000 0.256 72 Q C -0.880 175.114 176.000 -0.010 0.000 0.927 72 Q CA -0.646 55.121 55.803 -0.059 0.000 0.939 72 Q CB 1.489 30.203 28.738 -0.040 0.000 1.201 72 Q HN 0.487 nan 8.270 nan 0.000 0.426 73 V N 0.988 120.912 119.914 0.017 0.000 2.823 73 V HA 0.475 4.596 4.120 0.001 0.000 0.312 73 V C -1.010 175.149 176.094 0.108 0.000 1.072 73 V CA -0.891 61.456 62.300 0.077 0.000 0.937 73 V CB 1.831 33.711 31.823 0.095 0.000 1.013 73 V HN 0.883 nan 8.190 nan 0.000 0.430 74 H N 3.160 122.264 119.070 0.058 0.000 2.556 74 H HA 0.650 5.207 4.556 0.001 0.000 0.310 74 H C -1.311 174.069 175.328 0.086 0.000 1.057 74 H CA -0.211 55.869 56.048 0.054 0.000 1.264 74 H CB 1.764 31.555 29.762 0.047 0.000 1.404 74 H HN 0.683 nan 8.280 nan 0.000 0.462 75 V N 4.993 124.764 119.914 -0.238 0.000 2.472 75 V HA 0.277 4.398 4.120 0.001 0.000 0.290 75 V C 0.063 176.092 176.094 -0.108 0.000 1.037 75 V CA -0.521 61.734 62.300 -0.075 0.000 0.908 75 V CB 1.528 33.249 31.823 -0.169 0.000 0.985 75 V HN 0.880 nan 8.190 nan 0.000 0.454 76 S N 4.570 120.323 115.700 0.089 0.000 2.570 76 S HA 0.751 5.221 4.470 0.001 0.000 0.286 76 S C -0.736 173.961 174.600 0.162 0.000 1.099 76 S CA -0.982 57.279 58.200 0.101 0.000 0.913 76 S CB 1.598 64.866 63.200 0.113 0.000 1.085 76 S HN 0.523 nan 8.310 nan 0.000 0.480 77 M N 2.477 122.124 119.600 0.078 0.000 2.239 77 M HA 0.193 4.673 4.480 0.001 0.000 0.348 77 M C -0.171 176.024 176.300 -0.174 0.000 1.239 77 M CA -0.019 55.169 55.300 -0.186 0.000 1.114 77 M CB 0.051 32.538 32.600 -0.189 0.000 1.641 77 M HN 0.691 nan 8.290 nan 0.000 0.453 78 D N 2.865 123.110 120.400 -0.259 0.000 2.365 78 D HA 0.133 4.773 4.640 0.001 0.000 0.237 78 D C 0.066 176.271 176.300 -0.158 0.000 1.190 78 D CA 0.084 54.003 54.000 -0.136 0.000 0.867 78 D CB 0.740 41.499 40.800 -0.069 0.000 1.050 78 D HN 0.482 nan 8.370 nan 0.000 0.491 79 K N 2.387 122.705 120.400 -0.138 0.000 2.404 79 K HA 0.155 4.476 4.320 0.001 0.000 0.194 79 K C 1.564 178.085 176.600 -0.132 0.000 1.023 79 K CA 0.080 56.287 56.287 -0.134 0.000 1.094 79 K CB 0.793 33.219 32.500 -0.123 0.000 0.841 79 K HN 0.234 nan 8.250 nan 0.000 0.523 80 R N -0.051 120.356 120.500 -0.155 0.000 2.140 80 R HA 0.069 4.410 4.340 0.001 0.000 0.213 80 R C 0.235 176.518 176.300 -0.029 0.000 1.059 80 R CA 0.729 56.699 56.100 -0.218 0.000 1.000 80 R CB 0.371 30.298 30.300 -0.622 0.000 0.910 80 R HN -0.078 nan 8.270 nan 0.000 0.455 81 T N 1.252 115.835 114.554 0.048 0.000 2.807 81 T HA 0.375 4.726 4.350 0.001 0.000 0.279 81 T C -0.658 174.054 174.700 0.020 0.000 0.993 81 T CA -0.680 61.513 62.100 0.156 0.000 0.970 81 T CB 2.236 71.289 68.868 0.308 0.000 0.950 81 T HN -0.058 nan 8.240 nan 0.000 0.441 82 K N 2.467 122.828 120.400 -0.064 0.000 2.203 82 K HA 0.745 5.066 4.320 0.001 0.000 0.251 82 K C -0.857 175.739 176.600 -0.006 0.000 0.944 82 K CA -0.740 55.413 56.287 -0.224 0.000 0.829 82 K CB 1.952 33.996 32.500 -0.760 0.000 1.125 82 K HN 0.471 nan 8.250 nan 0.000 0.430 83 I N 2.345 122.952 120.570 0.062 0.000 2.569 83 I HA 0.205 4.376 4.170 0.001 0.000 0.290 83 I C -1.146 175.102 176.117 0.217 0.000 1.088 83 I CA -0.919 60.514 61.300 0.222 0.000 1.047 83 I CB 2.240 40.342 38.000 0.169 0.000 1.237 83 I HN 0.412 nan 8.210 nan 0.000 0.421 84 Q N 5.852 125.835 119.800 0.305 0.000 2.337 84 Q HA 0.655 4.996 4.340 0.001 0.000 0.266 84 Q C -1.261 174.889 176.000 0.250 0.000 1.023 84 Q CA -0.345 55.615 55.803 0.262 0.000 0.829 84 Q CB 2.873 31.777 28.738 0.277 0.000 1.306 84 Q HN 0.507 nan 8.270 nan 0.000 0.449 85 L N 2.884 124.236 121.223 0.214 0.000 2.295 85 L HA 0.404 4.744 4.340 0.001 0.000 0.281 85 L C -0.590 176.384 176.870 0.174 0.000 1.018 85 L CA -0.524 54.430 54.840 0.190 0.000 0.841 85 L CB 1.000 43.165 42.059 0.176 0.000 1.218 85 L HN 0.730 nan 8.230 nan 0.000 0.424 86 D N 3.153 123.666 120.400 0.188 0.000 2.689 86 D HA -0.231 4.410 4.640 0.001 0.000 0.237 86 D C 0.294 176.678 176.300 0.140 0.000 1.148 86 D CA 0.753 54.853 54.000 0.166 0.000 0.656 86 D CB -0.665 40.210 40.800 0.125 0.000 1.050 86 D HN 0.874 nan 8.370 nan 0.000 0.426 87 N N -1.135 117.661 118.700 0.159 0.000 2.909 87 N HA -0.200 4.541 4.740 0.001 0.000 0.242 87 N C -0.405 175.185 175.510 0.132 0.000 0.975 87 N CA 1.332 54.465 53.050 0.138 0.000 0.921 87 N CB -0.844 37.702 38.487 0.099 0.000 1.112 87 N HN 0.628 nan 8.380 nan 0.000 0.581 88 E N 1.034 121.321 120.200 0.144 0.000 2.167 88 E HA 0.233 4.583 4.350 0.001 0.000 0.284 88 E C 0.030 176.719 176.600 0.150 0.000 1.016 88 E CA -0.572 55.911 56.400 0.139 0.000 0.817 88 E CB 0.727 30.519 29.700 0.152 0.000 1.080 88 E HN 0.134 nan 8.360 nan 0.000 0.397 89 N N 2.376 121.149 118.700 0.121 0.000 2.497 89 N HA 0.110 4.850 4.740 0.001 0.000 0.271 89 N C -1.434 174.132 175.510 0.093 0.000 1.142 89 N CA -0.141 52.974 53.050 0.107 0.000 0.965 89 N CB 0.827 39.361 38.487 0.079 0.000 1.077 89 N HN 0.128 nan 8.380 nan 0.000 0.462 90 V N 4.283 124.254 119.914 0.095 0.000 2.487 90 V HA 0.475 4.596 4.120 0.001 0.000 0.298 90 V C 0.100 176.214 176.094 0.033 0.000 1.028 90 V CA -0.768 61.578 62.300 0.076 0.000 0.860 90 V CB 1.394 33.314 31.823 0.162 0.000 0.991 90 V HN 0.624 nan 8.190 nan 0.000 0.427 91 R N 4.201 124.704 120.500 0.006 0.000 2.532 91 R HA 0.781 5.122 4.340 0.001 0.000 0.295 91 R C -1.184 175.064 176.300 -0.086 0.000 0.968 91 R CA -0.663 55.383 56.100 -0.090 0.000 0.916 91 R CB 1.855 32.083 30.300 -0.121 0.000 1.124 91 R HN 0.567 nan 8.270 nan 0.000 0.463 92 L N 2.740 123.823 121.223 -0.234 0.000 2.330 92 L HA 0.629 4.969 4.340 0.001 0.000 0.271 92 L C -0.904 175.735 176.870 -0.385 0.000 1.013 92 L CA -0.755 54.032 54.840 -0.088 0.000 0.816 92 L CB 1.019 43.088 42.059 0.016 0.000 1.287 92 L HN 0.426 nan 8.230 nan 0.000 0.435 93 F N 0.010 120.042 119.950 0.137 0.000 2.588 93 F HA 0.496 5.023 4.527 0.000 0.000 0.310 93 F C -0.124 175.823 175.800 0.245 0.000 1.082 93 F CA -0.855 57.228 58.000 0.140 0.000 0.929 93 F CB 1.830 40.863 39.000 0.055 0.000 1.254 93 F HN 0.341 nan 8.300 nan 0.000 0.455 94 N N 0.287 119.207 118.700 0.366 0.000 2.269 94 N HA 0.534 5.274 4.740 0.001 0.000 0.304 94 N C -0.092 175.599 175.510 0.302 0.000 1.072 94 N CA -0.533 52.698 53.050 0.302 0.000 0.802 94 N CB 2.274 40.885 38.487 0.207 0.000 1.348 94 N HN 0.828 nan 8.380 nan 0.000 0.484 95 G N 0.344 109.312 108.800 0.281 0.000 2.563 95 G HA2 0.355 4.316 3.960 0.001 0.000 0.283 95 G HA3 0.355 4.316 3.960 0.001 0.000 0.283 95 G C 0.126 175.143 174.900 0.196 0.000 1.309 95 G CA -0.457 44.786 45.100 0.239 0.000 1.022 95 G HN 0.422 nan 8.290 nan 0.000 0.501 96 R N -0.641 119.965 120.500 0.176 0.000 2.774 96 R HA 0.119 4.459 4.340 0.001 0.000 0.269 96 R C 0.831 177.192 176.300 0.102 0.000 1.068 96 R CA -0.415 55.761 56.100 0.126 0.000 1.180 96 R CB 0.426 30.785 30.300 0.097 0.000 1.077 96 R HN 0.465 nan 8.270 nan 0.000 0.513 97 D N 1.686 122.125 120.400 0.064 0.000 2.116 97 D HA -0.223 4.417 4.640 0.001 0.000 0.193 97 D C 1.622 177.943 176.300 0.035 0.000 0.998 97 D CA 1.851 55.870 54.000 0.032 0.000 0.836 97 D CB -0.117 40.673 40.800 -0.016 0.000 0.951 97 D HN 0.556 nan 8.370 nan 0.000 0.449 98 K N 0.524 120.945 120.400 0.035 0.000 2.360 98 K HA -0.119 4.202 4.320 0.001 0.000 0.201 98 K C 0.858 177.499 176.600 0.068 0.000 1.046 98 K CA 1.238 57.548 56.287 0.038 0.000 0.945 98 K CB 0.091 32.607 32.500 0.027 0.000 0.750 98 K HN -0.040 nan 8.250 nan 0.000 0.464 99 D N 1.056 121.512 120.400 0.093 0.000 2.289 99 D HA -0.015 4.626 4.640 0.001 0.000 0.207 99 D C -0.120 176.280 176.300 0.166 0.000 0.966 99 D CA 0.650 54.722 54.000 0.120 0.000 0.868 99 D CB 0.135 41.014 40.800 0.131 0.000 0.943 99 D HN 0.160 nan 8.370 nan 0.000 0.514 100 S N -0.122 115.679 115.700 0.168 0.000 3.628 100 S HA -0.140 4.331 4.470 0.001 0.000 0.373 100 S C -0.252 174.548 174.600 0.334 0.000 0.968 100 S CA 0.557 58.900 58.200 0.238 0.000 1.215 100 S CB -1.573 61.769 63.200 0.237 0.000 0.912 100 S HN 0.201 nan 8.310 nan 0.000 0.495 101 T N 1.946 116.641 114.554 0.236 0.000 3.032 101 T HA 0.481 4.832 4.350 0.001 0.000 0.312 101 T C -0.455 174.301 174.700 0.093 0.000 1.078 101 T CA -0.711 61.471 62.100 0.136 0.000 1.028 101 T CB 1.507 70.403 68.868 0.047 0.000 1.091 101 T HN 0.390 nan 8.240 nan 0.000 0.457 102 N N 1.334 120.023 118.700 -0.017 0.000 2.240 102 N HA 0.752 5.493 4.740 0.001 0.000 0.302 102 N C -1.541 173.901 175.510 -0.113 0.000 1.106 102 N CA -0.735 52.357 53.050 0.069 0.000 0.778 102 N CB 1.941 40.503 38.487 0.125 0.000 1.431 102 N HN 0.375 nan 8.380 nan 0.000 0.479 103 F N 1.086 121.152 119.950 0.193 0.000 2.588 103 F HA 0.623 5.151 4.527 0.002 0.000 0.314 103 F C -0.276 175.663 175.800 0.232 0.000 1.069 103 F CA -0.849 57.255 58.000 0.173 0.000 0.931 103 F CB 1.714 40.765 39.000 0.085 0.000 1.260 103 F HN 0.073 nan 8.300 nan 0.000 0.465 104 I N 2.922 123.715 120.570 0.372 0.000 2.545 104 I HA 0.481 4.651 4.170 0.001 0.000 0.292 104 I C -1.643 174.532 176.117 0.097 0.000 1.040 104 I CA -0.904 60.549 61.300 0.254 0.000 1.068 104 I CB 2.347 40.496 38.000 0.249 0.000 1.251 104 I HN 0.313 nan 8.210 nan 0.000 0.424 105 L N 5.303 126.550 121.223 0.040 0.000 2.441 105 L HA 0.840 5.181 4.340 0.001 0.000 0.270 105 L C -0.318 176.419 176.870 -0.222 0.000 0.973 105 L CA 0.175 54.940 54.840 -0.124 0.000 0.842 105 L CB 1.634 43.721 42.059 0.048 0.000 1.239 105 L HN 0.660 nan 8.230 nan 0.000 0.406 106 G N 2.197 110.686 108.800 -0.519 0.000 2.667 106 G HA2 0.341 4.301 3.960 0.001 0.000 0.310 106 G HA3 0.341 4.301 3.960 0.001 0.000 0.310 106 G C -0.202 174.664 174.900 -0.056 0.000 1.259 106 G CA -0.376 44.556 45.100 -0.281 0.000 1.019 106 G HN 0.567 nan 8.290 nan 0.000 0.496 107 D N -0.552 119.864 120.400 0.027 0.000 2.219 107 D HA -0.030 4.610 4.640 0.001 0.000 0.205 107 D C 1.931 178.183 176.300 -0.081 0.000 0.970 107 D CA 0.932 54.968 54.000 0.060 0.000 0.851 107 D CB 0.440 41.273 40.800 0.055 0.000 0.943 107 D HN 0.361 nan 8.370 nan 0.000 0.488 108 E N -0.890 119.283 120.200 -0.045 0.000 2.431 108 E HA 0.131 4.481 4.350 0.001 0.000 0.200 108 E C 0.322 176.845 176.600 -0.128 0.000 0.995 108 E CA 0.041 56.411 56.400 -0.051 0.000 0.915 108 E CB 0.550 30.364 29.700 0.191 0.000 0.930 108 E HN 0.347 nan 8.360 nan 0.000 0.496 109 F N -1.091 118.711 119.950 -0.247 0.000 2.713 109 F HA 0.759 5.287 4.527 0.002 0.000 0.311 109 F C -1.661 174.220 175.800 0.134 0.000 1.141 109 F CA -1.726 56.089 58.000 -0.309 0.000 0.939 109 F CB 0.926 39.321 39.000 -1.009 0.000 1.325 109 F HN -0.180 nan 8.300 nan 0.000 0.453 110 A N 1.242 124.103 122.820 0.069 0.000 2.539 110 A HA 0.879 5.200 4.320 0.001 0.000 0.296 110 A C -2.099 175.601 177.584 0.193 0.000 1.073 110 A CA -0.861 51.170 52.037 -0.010 0.000 0.700 110 A CB 1.850 20.816 19.000 -0.057 0.000 1.296 110 A HN 1.228 nan 8.150 nan 0.000 0.405 111 V N 1.300 121.334 119.914 0.201 0.000 2.760 111 V HA 0.623 4.743 4.120 0.001 0.000 0.309 111 V C -1.204 175.007 176.094 0.196 0.000 1.077 111 V CA -0.495 61.945 62.300 0.233 0.000 0.910 111 V CB 1.649 33.630 31.823 0.263 0.000 1.008 111 V HN 0.992 nan 8.190 nan 0.000 0.424 112 L N 4.630 125.940 121.223 0.145 0.000 2.325 112 L HA 0.757 5.098 4.340 0.001 0.000 0.281 112 L C -0.493 176.413 176.870 0.061 0.000 1.004 112 L CA -0.215 54.594 54.840 -0.051 0.000 0.823 112 L CB 1.383 43.412 42.059 -0.050 0.000 1.236 112 L HN 0.761 nan 8.230 nan 0.000 0.415 113 R N 5.235 125.713 120.500 -0.037 0.000 2.513 113 R HA 0.738 5.078 4.340 0.001 0.000 0.301 113 R C -1.673 174.670 176.300 0.072 0.000 0.968 113 R CA -0.511 55.586 56.100 -0.005 0.000 0.872 113 R CB 1.140 31.404 30.300 -0.061 0.000 1.177 113 R HN 0.742 nan 8.270 nan 0.000 0.444 114 F N 0.961 120.807 119.950 -0.173 0.000 2.715 114 F HA 0.544 5.072 4.527 0.001 0.000 0.318 114 F C -1.965 173.721 175.800 -0.190 0.000 1.141 114 F CA -1.324 56.626 58.000 -0.083 0.000 0.950 114 F CB 1.092 40.089 39.000 -0.005 0.000 1.374 114 F HN 0.244 nan 8.300 nan 0.000 0.477 115 Y N 0.852 121.180 120.300 0.046 0.000 2.377 115 Y HA 0.729 5.279 4.550 0.001 0.000 0.339 115 Y C -0.280 175.616 175.900 -0.006 0.000 1.011 115 Y CA -0.774 57.284 58.100 -0.071 0.000 1.093 115 Y CB 1.993 40.463 38.460 0.017 0.000 1.201 115 Y HN 0.414 nan 8.280 nan 0.000 0.455 116 R N 2.419 122.913 120.500 -0.011 0.000 2.532 116 R HA 0.297 4.638 4.340 0.001 0.000 0.297 116 R C -0.687 175.623 176.300 0.017 0.000 0.984 116 R CA -0.874 55.236 56.100 0.017 0.000 0.884 116 R CB 1.305 31.507 30.300 -0.163 0.000 1.182 116 R HN 0.817 nan 8.270 nan 0.000 0.442 117 N N 1.456 120.196 118.700 0.067 0.000 2.721 117 N HA -0.207 4.534 4.740 0.001 0.000 0.249 117 N C 0.533 176.073 175.510 0.050 0.000 1.072 117 N CA 1.420 54.499 53.050 0.048 0.000 0.710 117 N CB -0.956 37.539 38.487 0.015 0.000 0.993 117 N HN 1.155 nan 8.380 nan 0.000 0.547 118 G N -0.701 108.155 108.800 0.093 0.000 2.168 118 G HA2 -0.326 3.635 3.960 0.001 0.000 0.257 118 G HA3 -0.326 3.635 3.960 0.001 0.000 0.257 118 G C -0.233 174.756 174.900 0.147 0.000 0.997 118 G CA 0.889 46.053 45.100 0.107 0.000 0.708 118 G HN 0.626 nan 8.290 nan 0.000 0.520 119 E N -0.063 120.201 120.200 0.107 0.000 2.222 119 E HA 0.520 4.870 4.350 0.001 0.000 0.267 119 E C -0.373 176.088 176.600 -0.230 0.000 0.884 119 E CA -0.524 55.860 56.400 -0.028 0.000 0.764 119 E CB 1.707 31.345 29.700 -0.103 0.000 1.169 119 E HN 0.102 nan 8.360 nan 0.000 0.413 120 S N 3.170 118.616 115.700 -0.424 0.000 2.499 120 S HA 0.353 4.823 4.470 0.001 0.000 0.275 120 S C -0.361 173.896 174.600 -0.571 0.000 1.257 120 S CA -0.343 57.356 58.200 -0.834 0.000 1.050 120 S CB 0.034 62.806 63.200 -0.714 0.000 0.937 120 S HN 0.349 nan 8.310 nan 0.000 0.490 121 I N 3.905 124.077 120.570 -0.664 0.000 2.436 121 I HA 0.313 4.484 4.170 0.001 0.000 0.289 121 I C -0.279 175.569 176.117 -0.450 0.000 1.010 121 I CA -0.481 60.471 61.300 -0.580 0.000 1.098 121 I CB 2.258 39.813 38.000 -0.740 0.000 1.266 121 I HN 0.446 nan 8.210 nan 0.000 0.434 122 S N 4.942 120.434 115.700 -0.347 0.000 2.454 122 S HA 0.558 5.028 4.470 0.001 0.000 0.306 122 S C -1.035 173.424 174.600 -0.236 0.000 1.100 122 S CA -0.462 57.629 58.200 -0.183 0.000 1.087 122 S CB 0.842 63.953 63.200 -0.148 0.000 1.019 122 S HN 0.269 nan 8.310 nan 0.000 0.480 123 Y N 2.315 122.591 120.300 -0.040 0.000 2.335 123 Y HA 0.542 5.093 4.550 0.001 0.000 0.339 123 Y C 0.047 175.979 175.900 0.054 0.000 0.987 123 Y CA -0.633 57.466 58.100 -0.002 0.000 1.140 123 Y CB 0.642 39.128 38.460 0.043 0.000 1.173 123 Y HN 0.470 nan 8.280 nan 0.000 0.486 124 I N 3.484 124.161 120.570 0.179 0.000 2.410 124 I HA 0.645 4.815 4.170 0.001 0.000 0.286 124 I C -0.637 175.667 176.117 0.311 0.000 1.009 124 I CA -0.675 60.776 61.300 0.252 0.000 1.111 124 I CB 1.488 39.638 38.000 0.250 0.000 1.262 124 I HN 0.665 nan 8.210 nan 0.000 0.443 125 A N 6.170 129.188 122.820 0.330 0.000 2.335 125 A HA 0.736 5.057 4.320 0.001 0.000 0.304 125 A C -1.516 176.298 177.584 0.382 0.000 1.118 125 A CA -0.342 51.904 52.037 0.350 0.000 0.757 125 A CB 0.546 19.716 19.000 0.282 0.000 1.188 125 A HN 0.534 nan 8.150 nan 0.000 0.460 126 Y N 1.365 121.815 120.300 0.251 0.000 2.361 126 Y HA 0.352 4.903 4.550 0.001 0.000 0.332 126 Y C 1.525 177.448 175.900 0.038 0.000 1.101 126 Y CA -0.370 57.833 58.100 0.172 0.000 1.137 126 Y CB 2.008 40.549 38.460 0.135 0.000 1.207 126 Y HN 0.865 nan 8.280 nan 0.000 0.463 127 K N 0.950 121.247 120.400 -0.172 0.000 2.026 127 K HA -0.090 4.231 4.320 0.001 0.000 0.208 127 K C -0.113 176.472 176.600 -0.025 0.000 1.048 127 K CA 1.202 57.286 56.287 -0.339 0.000 0.929 127 K CB 0.139 32.162 32.500 -0.795 0.000 0.713 127 K HN 0.575 nan 8.250 nan 0.000 0.439 128 E N 0.421 120.638 120.200 0.029 0.000 2.316 128 E HA 0.036 4.387 4.350 0.001 0.000 0.275 128 E C 0.652 177.324 176.600 0.120 0.000 1.029 128 E CA 0.237 56.678 56.400 0.069 0.000 0.871 128 E CB 1.523 31.261 29.700 0.063 0.000 1.022 128 E HN 0.357 nan 8.360 nan 0.000 0.418 129 A N 4.127 127.032 122.820 0.141 0.000 1.892 129 A HA -0.265 4.055 4.320 0.001 0.000 0.218 129 A C 1.874 179.606 177.584 0.246 0.000 1.188 129 A CA 1.404 53.583 52.037 0.237 0.000 0.631 129 A CB -0.184 18.955 19.000 0.233 0.000 0.822 129 A HN 0.466 nan 8.150 nan 0.000 0.447 130 Q N -1.742 118.168 119.800 0.184 0.000 2.119 130 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 130 Q C 2.056 178.069 176.000 0.022 0.000 0.972 130 Q CA 1.727 57.606 55.803 0.127 0.000 0.847 130 Q CB -0.385 28.411 28.738 0.096 0.000 0.903 130 Q HN 0.674 nan 8.270 nan 0.000 0.433 131 M N -0.119 119.491 119.600 0.018 0.000 2.132 131 M HA -0.117 4.364 4.480 0.001 0.000 0.263 131 M C 1.987 178.207 176.300 -0.132 0.000 1.065 131 M CA 1.361 56.621 55.300 -0.066 0.000 1.122 131 M CB -0.360 32.236 32.600 -0.006 0.000 1.365 131 M HN 0.183 nan 8.290 nan 0.000 0.411 132 M N 0.089 119.686 119.600 -0.005 0.000 2.117 132 M HA -0.147 4.333 4.480 0.001 0.000 0.262 132 M C 1.771 178.030 176.300 -0.068 0.000 1.065 132 M CA 1.986 57.297 55.300 0.019 0.000 1.114 132 M CB -0.826 31.853 32.600 0.132 0.000 1.361 132 M HN 0.490 nan 8.290 nan 0.000 0.408 133 N N 0.061 118.681 118.700 -0.135 0.000 2.084 133 N HA -0.231 4.510 4.740 0.001 0.000 0.190 133 N C 1.709 177.118 175.510 -0.167 0.000 1.030 133 N CA 1.953 54.840 53.050 -0.272 0.000 0.849 133 N CB -0.295 37.856 38.487 -0.558 0.000 1.012 133 N HN 0.639 nan 8.380 nan 0.000 0.423 134 E N -0.264 119.849 120.200 -0.145 0.000 2.058 134 E HA -0.169 4.181 4.350 0.001 0.000 0.194 134 E C 1.763 178.280 176.600 -0.138 0.000 0.997 134 E CA 1.120 57.438 56.400 -0.136 0.000 0.801 134 E CB -0.079 29.531 29.700 -0.150 0.000 0.746 134 E HN 0.339 nan 8.360 nan 0.000 0.450 135 I N 1.307 121.760 120.570 -0.195 0.000 2.226 135 I HA -0.231 3.940 4.170 0.001 0.000 0.245 135 I C 2.615 178.779 176.117 0.078 0.000 1.100 135 I CA 1.334 62.534 61.300 -0.166 0.000 1.374 135 I CB -1.511 36.296 38.000 -0.321 0.000 1.057 135 I HN 0.199 nan 8.210 nan 0.000 0.413 136 A N 0.551 123.424 122.820 0.089 0.000 1.902 136 A HA -0.203 4.118 4.320 0.001 0.000 0.217 136 A C 2.220 179.895 177.584 0.151 0.000 1.181 136 A CA 1.489 53.641 52.037 0.191 0.000 0.623 136 A CB -0.573 18.476 19.000 0.082 0.000 0.818 136 A HN 0.491 nan 8.150 nan 0.000 0.443 137 E N -1.307 118.915 120.200 0.037 0.000 2.077 137 E HA -0.187 4.164 4.350 0.001 0.000 0.193 137 E C 1.815 178.396 176.600 -0.031 0.000 0.989 137 E CA 1.289 57.690 56.400 0.001 0.000 0.800 137 E CB -0.321 29.360 29.700 -0.032 0.000 0.746 137 E HN 0.756 nan 8.360 nan 0.000 0.452 138 F N 0.557 120.369 119.950 -0.230 0.000 2.095 138 F HA -0.273 4.254 4.527 0.001 0.000 0.298 138 F C 1.926 177.495 175.800 -0.384 0.000 1.104 138 F CA 1.573 59.336 58.000 -0.396 0.000 1.232 138 F CB -0.206 38.419 39.000 -0.625 0.000 0.987 138 F HN -0.020 nan 8.300 nan 0.000 0.475 139 Y N -0.292 119.841 120.300 -0.277 0.000 2.395 139 Y HA -0.011 4.540 4.550 0.001 0.000 0.293 139 Y C 2.480 178.012 175.900 -0.614 0.000 1.123 139 Y CA 0.490 58.345 58.100 -0.409 0.000 1.227 139 Y CB -0.526 37.910 38.460 -0.040 0.000 1.012 139 Y HN 0.178 nan 8.280 nan 0.000 0.552 140 A N 0.117 122.719 122.820 -0.364 0.000 1.968 140 A HA -0.058 4.262 4.320 0.001 0.000 0.217 140 A C 2.364 179.836 177.584 -0.187 0.000 1.169 140 A CA 1.270 53.037 52.037 -0.451 0.000 0.638 140 A CB -0.962 18.025 19.000 -0.022 0.000 0.812 140 A HN 0.389 nan 8.150 nan 0.000 0.446 141 A N 0.697 123.395 122.820 -0.203 0.000 1.883 141 A HA -0.077 4.244 4.320 0.001 0.000 0.217 141 A C 0.198 177.664 177.584 -0.197 0.000 1.186 141 A CA 1.924 53.859 52.037 -0.170 0.000 0.624 141 A CB -1.743 17.142 19.000 -0.192 0.000 0.822 141 A HN 0.451 nan 8.150 nan 0.000 0.444 142 P HA -0.098 nan 4.420 nan 0.000 0.221 142 P C 0.660 177.686 177.300 -0.456 0.000 1.145 142 P CA 0.865 63.716 63.100 -0.415 0.000 0.795 142 P CB -0.176 31.173 31.700 -0.586 0.000 0.775 143 F N -0.640 119.170 119.950 -0.233 0.000 2.780 143 F HA 0.108 4.636 4.527 0.001 0.000 0.299 143 F C 1.800 177.534 175.800 -0.110 0.000 1.146 143 F CA 0.688 58.585 58.000 -0.171 0.000 1.428 143 F CB -0.416 38.462 39.000 -0.203 0.000 1.115 143 F HN -0.161 nan 8.300 nan 0.000 0.583 144 K N -0.076 120.335 120.400 0.019 0.000 2.426 144 K HA 0.007 4.328 4.320 0.001 0.000 0.193 144 K C 1.824 178.412 176.600 -0.021 0.000 1.028 144 K CA 0.119 56.410 56.287 0.007 0.000 1.047 144 K CB 0.167 32.661 32.500 -0.009 0.000 0.821 144 K HN -0.008 nan 8.250 nan 0.000 0.513 145 K N 0.530 120.898 120.400 -0.053 0.000 2.001 145 K HA -0.044 4.276 4.320 0.001 0.000 0.208 145 K C 1.073 177.653 176.600 -0.033 0.000 1.048 145 K CA 1.290 57.543 56.287 -0.057 0.000 0.932 145 K CB -0.146 32.299 32.500 -0.091 0.000 0.715 145 K HN 0.243 nan 8.250 nan 0.000 0.437 146 T N -0.689 113.852 114.554 -0.023 0.000 2.971 146 T HA 0.601 4.952 4.350 0.001 0.000 0.304 146 T C -0.876 173.846 174.700 0.035 0.000 1.038 146 T CA -1.061 61.037 62.100 -0.003 0.000 1.007 146 T CB 2.541 71.399 68.868 -0.017 0.000 1.055 146 T HN -0.175 nan 8.240 nan 0.000 0.451 147 R N 1.318 121.839 120.500 0.034 0.000 2.445 147 R HA 0.853 5.193 4.340 0.001 0.000 0.308 147 R C -0.638 175.684 176.300 0.036 0.000 0.961 147 R CA -0.270 55.859 56.100 0.048 0.000 0.862 147 R CB 1.600 31.922 30.300 0.037 0.000 1.144 147 R HN 1.058 nan 8.270 nan 0.000 0.447 148 A N 3.668 126.513 122.820 0.042 0.000 2.356 148 A HA 0.456 4.776 4.320 0.001 0.000 0.323 148 A C 0.664 178.257 177.584 0.014 0.000 1.119 148 A CA -0.675 51.377 52.037 0.025 0.000 0.790 148 A CB 0.861 19.878 19.000 0.028 0.000 1.273 148 A HN 0.872 nan 8.150 nan 0.000 0.452 149 I N 1.054 121.627 120.570 0.005 0.000 2.928 149 I HA -0.113 4.057 4.170 0.001 0.000 0.266 149 I C 1.796 177.907 176.117 -0.010 0.000 1.234 149 I CA 0.926 62.225 61.300 -0.001 0.000 1.483 149 I CB -0.026 37.973 38.000 -0.002 0.000 1.097 149 I HN 0.877 nan 8.210 nan 0.000 0.455 150 N N 0.839 119.533 118.700 -0.010 0.000 2.398 150 N HA -0.176 4.564 4.740 0.001 0.000 0.188 150 N C 1.364 176.853 175.510 -0.034 0.000 1.122 150 N CA 0.273 53.310 53.050 -0.021 0.000 0.866 150 N CB -0.165 38.311 38.487 -0.018 0.000 0.970 150 N HN 0.435 nan 8.380 nan 0.000 0.462 151 E N 1.280 121.464 120.200 -0.026 0.000 2.114 151 E HA -0.256 4.095 4.350 0.001 0.000 0.199 151 E C 1.356 177.890 176.600 -0.111 0.000 1.008 151 E CA 1.360 57.730 56.400 -0.049 0.000 0.810 151 E CB 0.086 29.772 29.700 -0.024 0.000 0.739 151 E HN 0.185 nan 8.360 nan 0.000 0.456 152 K N 0.639 120.982 120.400 -0.096 0.000 2.152 152 K HA -0.164 4.157 4.320 0.001 0.000 0.206 152 K C 1.818 178.323 176.600 -0.158 0.000 1.048 152 K CA 1.668 57.876 56.287 -0.132 0.000 0.933 152 K CB 0.033 32.480 32.500 -0.089 0.000 0.721 152 K HN 0.247 nan 8.250 nan 0.000 0.447 153 E N -1.049 119.077 120.200 -0.122 0.000 2.204 153 E HA -0.123 4.228 4.350 0.001 0.000 0.194 153 E C 1.703 178.208 176.600 -0.158 0.000 0.989 153 E CA 0.928 57.250 56.400 -0.130 0.000 0.824 153 E CB 0.040 29.685 29.700 -0.092 0.000 0.756 153 E HN 0.379 nan 8.360 nan 0.000 0.477 154 A N 0.491 123.222 122.820 -0.148 0.000 1.924 154 A HA 0.120 4.441 4.320 0.001 0.000 0.211 154 A C 0.526 177.987 177.584 -0.204 0.000 1.198 154 A CA 0.335 52.290 52.037 -0.137 0.000 0.657 154 A CB 0.336 19.310 19.000 -0.044 0.000 0.852 154 A HN 0.233 nan 8.150 nan 0.000 0.454 155 F N -0.679 118.965 119.950 -0.511 0.000 2.588 155 F HA 0.596 5.124 4.527 0.001 0.000 0.314 155 F C -1.094 174.457 175.800 -0.415 0.000 1.134 155 F CA -0.729 56.912 58.000 -0.599 0.000 0.961 155 F CB 1.531 39.823 39.000 -1.181 0.000 1.239 155 F HN 0.150 nan 8.300 nan 0.000 0.448 156 E N 5.385 124.843 120.200 -1.237 0.000 2.304 156 E HA 0.448 4.798 4.350 0.001 0.000 0.277 156 E C -1.619 174.422 176.600 -0.932 0.000 0.898 156 E CA -0.701 55.175 56.400 -0.873 0.000 0.764 156 E CB 1.547 30.985 29.700 -0.436 0.000 1.216 156 E HN 0.777 nan 8.360 nan 0.000 0.419 157 C N 5.051 123.969 119.300 -0.638 0.000 2.576 157 C HA 0.388 4.849 4.460 0.001 0.000 0.401 157 C C 0.396 175.149 174.990 -0.394 0.000 1.314 157 C CA -0.393 58.348 59.018 -0.463 0.000 1.855 157 C CB -1.048 26.507 27.740 -0.308 0.000 2.537 157 C HN 0.537 nan 8.230 nan 0.000 0.578 158 I N 3.629 123.956 120.570 -0.405 0.000 2.359 158 I HA 0.368 4.539 4.170 0.001 0.000 0.294 158 I C -0.539 175.366 176.117 -0.354 0.000 0.987 158 I CA -0.186 60.985 61.300 -0.215 0.000 1.225 158 I CB 0.654 38.620 38.000 -0.057 0.000 1.366 158 I HN 0.576 nan 8.210 nan 0.000 0.466 159 Y N 3.013 123.330 120.300 0.028 0.000 2.509 159 Y HA 0.284 4.835 4.550 0.001 0.000 0.341 159 Y C 0.148 176.076 175.900 0.047 0.000 1.038 159 Y CA -0.911 57.217 58.100 0.046 0.000 1.089 159 Y CB 1.158 39.641 38.460 0.039 0.000 1.241 159 Y HN 0.413 nan 8.280 nan 0.000 0.468 160 D N 0.713 121.234 120.400 0.202 0.000 2.352 160 D HA 0.085 4.725 4.640 0.001 0.000 0.245 160 D C 0.595 176.963 176.300 0.114 0.000 1.224 160 D CA 0.196 54.272 54.000 0.128 0.000 0.879 160 D CB 0.995 41.858 40.800 0.105 0.000 1.057 160 D HN 0.653 nan 8.370 nan 0.000 0.491 161 S N 3.537 119.290 115.700 0.089 0.000 2.496 161 S HA -0.026 4.445 4.470 0.001 0.000 0.224 161 S C 1.688 176.315 174.600 0.045 0.000 0.996 161 S CA 0.070 58.308 58.200 0.063 0.000 0.927 161 S CB 0.193 63.425 63.200 0.054 0.000 0.774 161 S HN 0.436 nan 8.310 nan 0.000 0.524 162 R N 1.448 121.974 120.500 0.043 0.000 2.115 162 R HA 0.037 4.378 4.340 0.001 0.000 0.230 162 R C 0.382 176.701 176.300 0.031 0.000 1.111 162 R CA 1.134 57.253 56.100 0.031 0.000 0.976 162 R CB -0.725 29.591 30.300 0.027 0.000 0.870 162 R HN 0.232 nan 8.270 nan 0.000 0.445 163 T N 2.670 117.249 114.554 0.041 0.000 3.162 163 T HA 0.055 4.406 4.350 0.001 0.000 0.264 163 T C 0.692 175.411 174.700 0.033 0.000 0.959 163 T CA -0.076 62.047 62.100 0.038 0.000 1.118 163 T CB 0.298 69.195 68.868 0.049 0.000 0.979 163 T HN 0.295 nan 8.240 nan 0.000 0.679 164 R N 0.717 121.231 120.500 0.023 0.000 2.357 164 R HA 0.026 4.366 4.340 0.001 0.000 0.202 164 R C 1.910 178.217 176.300 0.012 0.000 1.047 164 R CA 0.658 56.768 56.100 0.016 0.000 1.034 164 R CB -0.684 29.623 30.300 0.012 0.000 0.875 164 R HN 0.270 nan 8.270 nan 0.000 0.473 165 S N 0.856 116.565 115.700 0.014 0.000 2.399 165 S HA 0.079 4.549 4.470 0.001 0.000 0.231 165 S C 0.720 175.325 174.600 0.009 0.000 1.022 165 S CA 0.994 59.200 58.200 0.010 0.000 0.983 165 S CB -0.189 63.017 63.200 0.010 0.000 0.803 165 S HN 0.764 nan 8.310 nan 0.000 0.480 166 A N 0.357 123.188 122.820 0.017 0.000 3.076 166 A HA 0.257 4.577 4.320 0.001 0.000 0.272 166 A C 0.360 177.963 177.584 0.030 0.000 1.231 166 A CA -0.146 51.898 52.037 0.013 0.000 0.713 166 A CB -1.766 17.227 19.000 -0.011 0.000 1.252 166 A HN 0.847 nan 8.150 nan 0.000 0.355 167 G N 1.342 110.187 108.800 0.074 0.000 2.178 167 G HA2 0.312 4.272 3.960 0.001 0.000 0.244 167 G HA3 0.312 4.272 3.960 0.001 0.000 0.244 167 G C 0.716 175.718 174.900 0.169 0.000 1.213 167 G CA 0.720 45.901 45.100 0.134 0.000 0.912 167 G HN 1.404 nan 8.290 nan 0.000 0.474 168 K N 2.203 122.702 120.400 0.166 0.000 2.098 168 K HA 0.037 4.358 4.320 0.001 0.000 0.203 168 K C 0.256 177.139 176.600 0.472 0.000 1.051 168 K CA 0.600 57.013 56.287 0.211 0.000 0.957 168 K CB -0.151 32.431 32.500 0.137 0.000 0.738 168 K HN 0.427 nan 8.250 nan 0.000 0.447 169 Y N 2.062 122.490 120.300 0.213 0.000 2.308 169 Y HA 0.313 4.864 4.550 0.001 0.000 0.329 169 Y C -2.019 173.983 175.900 0.170 0.000 1.111 169 Y CA -3.690 54.528 58.100 0.197 0.000 1.179 169 Y CB 0.584 39.110 38.460 0.109 0.000 1.201 169 Y HN 0.145 nan 8.280 nan 0.000 0.483 170 P HA 0.040 nan 4.420 nan 0.000 0.272 170 P C 0.522 177.775 177.300 -0.079 0.000 1.223 170 P CA 0.041 62.907 63.100 -0.390 0.000 0.784 170 P CB 1.404 32.767 31.700 -0.562 0.000 0.923 171 V N -1.169 118.702 119.914 -0.072 0.000 3.644 171 V HA 0.203 4.323 4.120 0.001 0.000 0.267 171 V C 0.615 176.757 176.094 0.080 0.000 1.277 171 V CA 0.855 63.188 62.300 0.055 0.000 1.096 171 V CB -0.691 31.179 31.823 0.079 0.000 0.828 171 V HN 0.766 nan 8.190 nan 0.000 0.446 172 S N -0.227 115.481 115.700 0.014 0.000 2.636 172 S HA 0.760 5.230 4.470 0.001 0.000 0.268 172 S C -0.985 173.592 174.600 -0.038 0.000 1.159 172 S CA -0.105 58.138 58.200 0.071 0.000 0.815 172 S CB 1.724 65.008 63.200 0.140 0.000 1.130 172 S HN 1.441 nan 8.310 nan 0.000 0.471 173 V N -1.152 118.752 119.914 -0.017 0.000 2.769 173 V HA 0.875 4.996 4.120 0.001 0.000 0.312 173 V C -0.743 175.170 176.094 -0.301 0.000 1.061 173 V CA -0.770 61.412 62.300 -0.196 0.000 0.931 173 V CB 1.802 33.576 31.823 -0.081 0.000 1.010 173 V HN 1.096 nan 8.190 nan 0.000 0.433 174 K N 3.959 124.036 120.400 -0.538 0.000 2.274 174 K HA 0.648 4.969 4.320 0.001 0.000 0.262 174 K C -1.538 174.716 176.600 -0.578 0.000 0.961 174 K CA -0.643 55.192 56.287 -0.753 0.000 0.833 174 K CB 1.413 33.380 32.500 -0.889 0.000 1.102 174 K HN 0.908 nan 8.250 nan 0.000 0.436 175 I N 3.635 123.923 120.570 -0.470 0.000 2.447 175 I HA 0.185 4.355 4.170 0.001 0.000 0.287 175 I C -0.191 175.742 176.117 -0.307 0.000 1.023 175 I CA -0.897 60.230 61.300 -0.288 0.000 1.083 175 I CB 1.812 39.668 38.000 -0.240 0.000 1.245 175 I HN 0.443 nan 8.210 nan 0.000 0.434 176 N N 5.949 124.499 118.700 -0.250 0.000 2.462 176 N HA 0.188 4.928 4.740 0.001 0.000 0.242 176 N C 0.565 175.979 175.510 -0.160 0.000 1.010 176 N CA -0.106 52.800 53.050 -0.240 0.000 0.939 176 N CB 1.787 40.139 38.487 -0.225 0.000 1.127 176 N HN 0.403 nan 8.380 nan 0.000 0.509 177 V N 3.030 122.836 119.914 -0.180 0.000 2.427 177 V HA -0.167 3.954 4.120 0.001 0.000 0.248 177 V C 1.652 177.670 176.094 -0.127 0.000 1.051 177 V CA 1.494 63.706 62.300 -0.146 0.000 1.048 177 V CB -0.225 31.497 31.823 -0.169 0.000 0.666 177 V HN 0.628 nan 8.190 nan 0.000 0.456 178 D N 0.099 120.420 120.400 -0.131 0.000 2.097 178 D HA -0.156 4.485 4.640 0.001 0.000 0.197 178 D C 2.194 178.449 176.300 -0.075 0.000 0.984 178 D CA 1.174 55.114 54.000 -0.101 0.000 0.826 178 D CB -0.089 40.652 40.800 -0.098 0.000 0.973 178 D HN 0.419 nan 8.370 nan 0.000 0.460 179 K N 0.813 121.169 120.400 -0.075 0.000 2.097 179 K HA -0.038 4.283 4.320 0.001 0.000 0.205 179 K C 2.201 178.801 176.600 0.001 0.000 1.050 179 K CA 0.817 57.077 56.287 -0.044 0.000 0.938 179 K CB -0.010 32.454 32.500 -0.061 0.000 0.718 179 K HN -0.005 nan 8.250 nan 0.000 0.442 180 A N 2.081 124.913 122.820 0.020 0.000 1.902 180 A HA -0.198 4.123 4.320 0.001 0.000 0.217 180 A C 1.855 179.447 177.584 0.014 0.000 1.181 180 A CA 1.487 53.605 52.037 0.135 0.000 0.623 180 A CB -0.284 18.822 19.000 0.178 0.000 0.818 180 A HN 0.193 nan 8.150 nan 0.000 0.443 181 K N -0.201 120.159 120.400 -0.067 0.000 2.152 181 K HA -0.162 4.159 4.320 0.001 0.000 0.206 181 K C 2.003 178.562 176.600 -0.068 0.000 1.048 181 K CA 1.625 57.849 56.287 -0.106 0.000 0.933 181 K CB -0.171 32.255 32.500 -0.124 0.000 0.721 181 K HN 0.446 nan 8.250 nan 0.000 0.447 182 K N 0.727 121.105 120.400 -0.037 0.000 2.057 182 K HA -0.029 4.291 4.320 0.001 0.000 0.206 182 K C 2.095 178.687 176.600 -0.013 0.000 1.050 182 K CA 1.007 57.281 56.287 -0.023 0.000 0.935 182 K CB -0.007 32.484 32.500 -0.015 0.000 0.715 182 K HN 0.084 nan 8.250 nan 0.000 0.439 183 I N 0.844 121.423 120.570 0.015 0.000 2.286 183 I HA -0.236 3.935 4.170 0.001 0.000 0.245 183 I C 1.903 178.005 176.117 -0.025 0.000 1.104 183 I CA 1.102 62.424 61.300 0.036 0.000 1.397 183 I CB -0.118 37.971 38.000 0.148 0.000 1.072 183 I HN 0.105 nan 8.210 nan 0.000 0.417 184 L N 0.890 122.057 121.223 -0.094 0.000 2.465 184 L HA -0.089 4.252 4.340 0.001 0.000 0.224 184 L C 0.624 177.414 176.870 -0.133 0.000 1.145 184 L CA 0.499 55.223 54.840 -0.193 0.000 0.834 184 L CB -1.012 40.853 42.059 -0.324 0.000 0.944 184 L HN 0.543 nan 8.230 nan 0.000 0.451 185 N N 1.174 119.820 118.700 -0.089 0.000 2.689 185 N HA -0.188 4.553 4.740 0.001 0.000 0.263 185 N C 0.042 175.504 175.510 -0.080 0.000 0.987 185 N CA 0.134 53.143 53.050 -0.069 0.000 0.782 185 N CB -1.100 37.357 38.487 -0.050 0.000 0.903 185 N HN 0.222 nan 8.380 nan 0.000 0.547 186 L N -2.079 119.087 121.223 -0.096 0.000 2.516 186 L HA 0.445 4.785 4.340 0.001 0.000 0.288 186 L C -1.922 174.914 176.870 -0.057 0.000 1.246 186 L CA -1.183 53.601 54.840 -0.093 0.000 0.844 186 L CB -1.389 40.604 42.059 -0.111 0.000 1.106 186 L HN 0.209 nan 8.230 nan 0.000 0.509 187 P HA 0.245 nan 4.420 nan 0.000 0.276 187 P C -0.537 176.752 177.300 -0.018 0.000 1.253 187 P CA -0.134 62.943 63.100 -0.039 0.000 0.766 187 P CB 0.451 32.121 31.700 -0.050 0.000 0.845 188 E N 2.739 122.934 120.200 -0.008 0.000 2.217 188 E HA 0.167 4.517 4.350 0.001 0.000 0.279 188 E C -0.596 175.988 176.600 -0.027 0.000 1.068 188 E CA -0.495 55.919 56.400 0.024 0.000 0.882 188 E CB 0.153 29.870 29.700 0.029 0.000 1.039 188 E HN 0.438 nan 8.360 nan 0.000 0.418 189 C N 4.075 123.333 119.300 -0.069 0.000 2.422 189 C HA 0.528 4.989 4.460 0.001 0.000 0.364 189 C C 0.288 175.093 174.990 -0.308 0.000 1.251 189 C CA -0.458 58.375 59.018 -0.308 0.000 2.441 189 C CB 0.692 27.985 27.740 -0.746 0.000 2.393 189 C HN 0.855 nan 8.230 nan 0.000 0.606 190 D N -2.272 117.921 120.400 -0.344 0.000 2.692 190 D HA 0.340 4.980 4.640 0.001 0.000 0.303 190 D C -0.471 175.617 176.300 -0.354 0.000 1.278 190 D CA -0.492 53.314 54.000 -0.323 0.000 0.852 190 D CB 0.669 41.393 40.800 -0.126 0.000 1.375 190 D HN 0.439 nan 8.370 nan 0.000 0.453 191 Y N 0.629 120.907 120.300 -0.037 0.000 2.301 191 Y HA 0.215 4.765 4.550 0.001 0.000 0.295 191 Y C 1.546 177.452 175.900 0.010 0.000 1.126 191 Y CA 0.142 58.237 58.100 -0.009 0.000 1.154 191 Y CB -0.114 38.357 38.460 0.018 0.000 1.075 191 Y HN 0.240 nan 8.280 nan 0.000 0.534 192 I N -1.150 119.508 120.570 0.147 0.000 4.909 192 I HA -0.440 3.731 4.170 0.001 0.000 0.038 192 I C -0.043 176.141 176.117 0.113 0.000 0.635 192 I CA 0.847 62.195 61.300 0.079 0.000 0.200 192 I CB -1.581 36.431 38.000 0.020 0.000 0.319 192 I HN 0.241 nan 8.210 nan 0.000 0.150 193 N N 3.642 122.344 118.700 0.003 0.000 3.124 193 N HA 0.108 4.849 4.740 0.001 0.000 0.284 193 N C 0.268 175.672 175.510 -0.177 0.000 1.209 193 N CA 0.193 53.163 53.050 -0.132 0.000 1.149 193 N CB -0.509 37.863 38.487 -0.191 0.000 1.434 193 N HN 0.546 nan 8.380 nan 0.000 0.529 194 D N -0.119 120.267 120.400 -0.023 0.000 2.370 194 D HA -0.061 4.580 4.640 0.001 0.000 0.230 194 D C -0.152 176.124 176.300 -0.040 0.000 1.143 194 D CA -0.273 53.752 54.000 0.042 0.000 0.834 194 D CB -0.350 40.633 40.800 0.305 0.000 0.944 194 D HN 0.439 nan 8.370 nan 0.000 0.504 195 Y N -1.939 118.201 120.300 -0.267 0.000 2.588 195 Y HA 0.657 5.207 4.550 0.001 0.000 0.343 195 Y C -1.343 174.404 175.900 -0.254 0.000 1.065 195 Y CA -1.776 56.109 58.100 -0.358 0.000 1.038 195 Y CB 1.161 39.206 38.460 -0.692 0.000 1.297 195 Y HN -0.226 nan 8.280 nan 0.000 0.467 196 I N 2.727 123.266 120.570 -0.052 0.000 2.447 196 I HA 0.368 4.539 4.170 0.001 0.000 0.287 196 I C -0.706 175.563 176.117 0.254 0.000 1.023 196 I CA -1.038 60.259 61.300 -0.005 0.000 1.083 196 I CB 2.031 39.914 38.000 -0.195 0.000 1.245 196 I HN 0.633 nan 8.210 nan 0.000 0.434 197 K N 5.687 126.221 120.400 0.223 0.000 2.297 197 K HA 0.458 4.779 4.320 0.001 0.000 0.286 197 K C -0.521 176.188 176.600 0.182 0.000 1.053 197 K CA -0.110 56.300 56.287 0.204 0.000 0.940 197 K CB 0.848 33.443 32.500 0.159 0.000 1.019 197 K HN 0.751 nan 8.250 nan 0.000 0.475 198 T N 2.158 116.803 114.554 0.152 0.000 2.930 198 T HA 0.483 4.834 4.350 0.001 0.000 0.290 198 T C -2.460 172.253 174.700 0.023 0.000 1.052 198 T CA -1.852 60.292 62.100 0.073 0.000 1.017 198 T CB 1.252 70.124 68.868 0.007 0.000 1.137 198 T HN 0.486 nan 8.240 nan 0.000 0.511 199 P HA 0.164 nan 4.420 nan 0.000 0.269 199 P C -0.547 176.737 177.300 -0.026 0.000 1.209 199 P CA -0.435 62.655 63.100 -0.016 0.000 0.776 199 P CB 0.462 32.145 31.700 -0.028 0.000 0.876 200 Q N 0.802 120.590 119.800 -0.020 0.000 2.340 200 Q HA 0.247 4.587 4.340 0.001 0.000 0.249 200 Q C 0.581 176.558 176.000 -0.038 0.000 0.957 200 Q CA -0.506 55.282 55.803 -0.026 0.000 0.882 200 Q CB 0.935 29.662 28.738 -0.019 0.000 1.235 200 Q HN 0.394 nan 8.270 nan 0.000 0.439 211 R N 1.793 122.290 120.500 -0.005 0.000 2.338 211 R HA 0.779 5.119 4.340 0.001 0.000 0.317 211 R C -0.833 175.473 176.300 0.010 0.000 0.968 211 R CA 0.320 56.424 56.100 0.007 0.000 0.849 211 R CB 1.163 31.461 30.300 -0.003 0.000 1.128 211 R HN 0.727 nan 8.270 nan 0.000 0.448 212 A N 3.231 126.071 122.820 0.033 0.000 2.568 212 A HA 0.416 4.737 4.320 0.001 0.000 0.291 212 A C -1.095 176.531 177.584 0.070 0.000 1.159 212 A CA -0.656 51.401 52.037 0.034 0.000 0.679 212 A CB 1.243 20.247 19.000 0.007 0.000 1.285 212 A HN 0.405 nan 8.150 nan 0.000 0.428 213 V N 2.890 122.823 119.914 0.032 0.000 2.540 213 V HA 0.234 4.354 4.120 0.001 0.000 0.297 213 V C -1.679 174.362 176.094 -0.089 0.000 1.024 213 V CA -0.355 61.887 62.300 -0.096 0.000 1.105 213 V CB -0.074 31.642 31.823 -0.180 0.000 0.938 213 V HN 0.770 nan 8.190 nan 0.000 0.482 214 P HA 0.153 nan 4.420 nan 0.000 0.272 214 P C 0.885 178.147 177.300 -0.062 0.000 1.223 214 P CA -0.257 62.818 63.100 -0.043 0.000 0.784 214 P CB 0.772 32.470 31.700 -0.002 0.000 0.923 215 S N 0.500 116.182 115.700 -0.031 0.000 2.399 215 S HA -0.132 4.339 4.470 0.001 0.000 0.231 215 S C 0.408 174.988 174.600 -0.032 0.000 1.022 215 S CA 0.834 59.016 58.200 -0.030 0.000 0.983 215 S CB -0.519 62.672 63.200 -0.014 0.000 0.803 215 S HN 0.642 nan 8.310 nan 0.000 0.480 216 E N 1.245 121.431 120.200 -0.023 0.000 2.317 216 E HA 0.494 4.845 4.350 0.001 0.000 0.270 216 E C -3.151 173.444 176.600 -0.010 0.000 0.885 216 E CA -2.930 53.460 56.400 -0.017 0.000 0.760 216 E CB 1.491 31.191 29.700 0.000 0.000 1.227 216 E HN 0.080 nan 8.360 nan 0.000 0.434 217 P HA -0.036 nan 4.420 nan 0.000 0.269 217 P C -0.785 176.550 177.300 0.058 0.000 1.209 217 P CA -0.109 63.007 63.100 0.025 0.000 0.776 217 P CB 0.501 32.216 31.700 0.025 0.000 0.876 218 K N 1.765 122.224 120.400 0.097 0.000 2.322 218 K HA 0.171 4.491 4.320 0.001 0.000 0.283 218 K C -0.484 176.177 176.600 0.101 0.000 1.042 218 K CA -0.118 56.234 56.287 0.107 0.000 0.958 218 K CB 0.121 32.706 32.500 0.141 0.000 0.984 218 K HN 0.362 nan 8.250 nan 0.000 0.473 219 T N 3.477 118.087 114.554 0.093 0.000 2.761 219 T HA 0.174 4.524 4.350 0.001 0.000 0.296 219 T C -0.565 174.182 174.700 0.078 0.000 0.934 219 T CA -0.477 61.662 62.100 0.066 0.000 1.091 219 T CB 0.718 69.636 68.868 0.083 0.000 0.896 219 T HN 0.290 nan 8.240 nan 0.000 0.515 220 V N 5.022 124.936 119.914 0.000 0.000 2.378 220 V HA 0.305 4.426 4.120 0.001 0.000 0.288 220 V C -0.669 175.338 176.094 -0.144 0.000 1.016 220 V CA -1.037 61.243 62.300 -0.033 0.000 0.840 220 V CB 0.622 32.372 31.823 -0.122 0.000 0.994 220 V HN 0.768 nan 8.190 nan 0.000 0.431 221 Y N 3.264 123.490 120.300 -0.124 0.000 2.377 221 Y HA 0.360 4.910 4.550 0.001 0.000 0.330 221 Y C 0.446 176.174 175.900 -0.287 0.000 1.108 221 Y CA -0.010 57.978 58.100 -0.185 0.000 1.308 221 Y CB 1.408 39.767 38.460 -0.168 0.000 1.216 221 Y HN 0.384 nan 8.280 nan 0.000 0.518 222 V N 6.678 126.456 119.914 -0.225 0.000 2.293 222 V HA 0.247 4.368 4.120 0.001 0.000 0.275 222 V C -0.080 176.017 176.094 0.005 0.000 1.021 222 V CA -0.736 61.446 62.300 -0.197 0.000 0.815 222 V CB 0.258 31.844 31.823 -0.395 0.000 1.025 222 V HN 0.563 nan 8.190 nan 0.000 0.448 223 I N 4.399 124.906 120.570 -0.105 0.000 2.308 223 I HA 0.246 4.417 4.170 0.001 0.000 0.293 223 I C 0.066 176.243 176.117 0.101 0.000 1.078 223 I CA 0.115 61.377 61.300 -0.064 0.000 1.292 223 I CB 0.493 38.327 38.000 -0.277 0.000 1.423 223 I HN 0.503 nan 8.210 nan 0.000 0.493 224 C N 7.309 126.694 119.300 0.141 0.000 2.330 224 C HA 0.560 5.021 4.460 0.001 0.000 0.344 224 C C 0.231 175.244 174.990 0.039 0.000 1.273 224 C CA -0.670 58.472 59.018 0.207 0.000 1.879 224 C CB 0.233 28.118 27.740 0.240 0.000 2.376 224 C HN 0.576 nan 8.230 nan 0.000 0.534 225 L N 3.826 125.104 121.223 0.092 0.000 2.343 225 L HA 0.487 4.828 4.340 0.001 0.000 0.278 225 L C 0.410 177.312 176.870 0.054 0.000 0.996 225 L CA -0.405 54.450 54.840 0.025 0.000 0.831 225 L CB 0.818 42.971 42.059 0.157 0.000 1.232 225 L HN 0.670 nan 8.230 nan 0.000 0.413 226 R N 3.624 124.151 120.500 0.044 0.000 2.446 226 R HA 0.027 4.368 4.340 0.001 0.000 0.314 226 R C 0.185 176.519 176.300 0.057 0.000 1.003 226 R CA -0.137 55.988 56.100 0.042 0.000 1.018 226 R CB 0.486 30.804 30.300 0.029 0.000 0.945 226 R HN 0.612 nan 8.270 nan 0.000 0.419 227 E N 3.522 123.750 120.200 0.047 0.000 2.442 227 E HA -0.153 4.197 4.350 0.001 0.000 0.262 227 E C -0.376 176.242 176.600 0.029 0.000 1.004 227 E CA -0.258 56.177 56.400 0.058 0.000 0.928 227 E CB 0.527 30.248 29.700 0.036 0.000 0.937 227 E HN 0.487 nan 8.360 nan 0.000 0.446 228 N N 2.781 121.502 118.700 0.034 0.000 2.374 228 N HA -0.053 4.688 4.740 0.001 0.000 0.269 228 N C 0.505 175.998 175.510 -0.027 0.000 1.310 228 N CA 1.476 54.531 53.050 0.008 0.000 0.877 228 N CB 0.314 38.805 38.487 0.007 0.000 1.096 228 N HN 0.750 nan 8.380 nan 0.000 0.484 229 G N 1.596 110.377 108.800 -0.032 0.000 2.195 229 G HA2 -0.242 3.719 3.960 0.001 0.000 0.246 229 G HA3 -0.242 3.719 3.960 0.001 0.000 0.246 229 G C 0.207 175.068 174.900 -0.064 0.000 0.984 229 G CA 0.359 45.429 45.100 -0.050 0.000 0.633 229 G HN 0.800 nan 8.290 nan 0.000 0.525 230 S N 0.537 116.202 115.700 -0.059 0.000 2.565 230 S HA 0.627 5.097 4.470 0.001 0.000 0.274 230 S C 0.397 174.920 174.600 -0.128 0.000 1.309 230 S CA 0.657 58.815 58.200 -0.069 0.000 1.043 230 S CB 0.866 64.043 63.200 -0.037 0.000 0.939 230 S HN 0.422 nan 8.310 nan 0.000 0.504 231 T N 4.132 118.566 114.554 -0.199 0.000 2.771 231 T HA 0.542 4.892 4.350 0.001 0.000 0.281 231 T C -0.372 174.008 174.700 -0.533 0.000 0.982 231 T CA -0.588 61.267 62.100 -0.409 0.000 0.978 231 T CB 0.886 69.442 68.868 -0.521 0.000 0.930 231 T HN 0.618 nan 8.240 nan 0.000 0.447 232 V N 1.422 121.011 119.914 -0.541 0.000 2.864 232 V HA 0.733 4.854 4.120 0.001 0.000 0.314 232 V C -1.593 174.126 176.094 -0.625 0.000 1.073 232 V CA -1.255 60.806 62.300 -0.398 0.000 0.956 232 V CB 1.266 33.047 31.823 -0.070 0.000 1.023 232 V HN 0.753 nan 8.190 nan 0.000 0.435 233 Y N 2.881 123.145 120.300 -0.059 0.000 2.331 233 Y HA 0.516 5.066 4.550 0.001 0.000 0.338 233 Y C -1.758 174.091 175.900 -0.085 0.000 0.992 233 Y CA -2.140 55.893 58.100 -0.112 0.000 1.121 233 Y CB 1.846 40.221 38.460 -0.142 0.000 1.184 233 Y HN 0.424 nan 8.280 nan 0.000 0.469 234 P HA -0.229 nan 4.420 nan 0.000 0.216 234 P C 1.219 178.169 177.300 -0.584 0.000 1.153 234 P CA 1.934 64.822 63.100 -0.353 0.000 0.858 234 P CB 0.228 31.574 31.700 -0.591 0.000 0.789 235 N N 0.260 118.582 118.700 -0.629 0.000 2.149 235 N HA -0.199 4.541 4.740 0.001 0.000 0.188 235 N C 1.423 176.973 175.510 0.067 0.000 1.019 235 N CA 1.493 54.400 53.050 -0.238 0.000 0.857 235 N CB -0.759 37.781 38.487 0.088 0.000 0.997 235 N HN 0.279 nan 8.380 nan 0.000 0.426 236 E N 0.551 120.835 120.200 0.142 0.000 2.046 236 E HA -0.039 4.312 4.350 0.001 0.000 0.190 236 E C 2.257 178.923 176.600 0.111 0.000 0.982 236 E CA 0.894 57.408 56.400 0.190 0.000 0.800 236 E CB 0.039 29.938 29.700 0.330 0.000 0.756 236 E HN 0.148 nan 8.360 nan 0.000 0.449 237 V N 1.475 121.437 119.914 0.079 0.000 2.295 237 V HA -0.250 3.871 4.120 0.001 0.000 0.246 237 V C 2.311 178.401 176.094 -0.006 0.000 1.049 237 V CA 1.973 64.293 62.300 0.033 0.000 1.024 237 V CB -0.499 31.342 31.823 0.029 0.000 0.648 237 V HN 0.189 nan 8.190 nan 0.000 0.447 238 S N 0.359 116.078 115.700 0.032 0.000 2.382 238 S HA -0.151 4.320 4.470 0.001 0.000 0.228 238 S C 2.208 176.815 174.600 0.012 0.000 1.027 238 S CA 1.337 59.567 58.200 0.050 0.000 0.991 238 S CB -0.505 62.843 63.200 0.247 0.000 0.823 238 S HN 0.653 nan 8.310 nan 0.000 0.469 239 A N 1.604 124.456 122.820 0.054 0.000 1.902 239 A HA -0.132 4.189 4.320 0.001 0.000 0.217 239 A C 2.193 179.764 177.584 -0.021 0.000 1.181 239 A CA 1.116 53.176 52.037 0.039 0.000 0.623 239 A CB -0.488 18.552 19.000 0.066 0.000 0.818 239 A HN 0.366 nan 8.150 nan 0.000 0.443 240 Q N -0.729 119.047 119.800 -0.039 0.000 2.084 240 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 240 Q C 2.181 178.074 176.000 -0.179 0.000 0.978 240 Q CA 1.650 57.407 55.803 -0.078 0.000 0.844 240 Q CB -0.398 28.299 28.738 -0.068 0.000 0.898 240 Q HN 0.784 nan 8.270 nan 0.000 0.426 241 M N 0.231 119.640 119.600 -0.318 0.000 2.099 241 M HA -0.200 4.281 4.480 0.001 0.000 0.262 241 M C 2.386 178.377 176.300 -0.515 0.000 1.067 241 M CA 1.502 56.339 55.300 -0.773 0.000 1.124 241 M CB -0.356 31.551 32.600 -1.156 0.000 1.353 241 M HN 0.175 nan 8.290 nan 0.000 0.410 242 Q N 0.819 120.469 119.800 -0.251 0.000 2.077 242 Q HA -0.242 4.099 4.340 0.001 0.000 0.206 242 Q C 1.318 177.305 176.000 -0.022 0.000 0.989 242 Q CA 2.051 57.817 55.803 -0.063 0.000 0.853 242 Q CB -0.013 28.736 28.738 0.019 0.000 0.907 242 Q HN 0.432 nan 8.270 nan 0.000 0.418 243 D N 0.039 120.409 120.400 -0.050 0.000 2.144 243 D HA -0.114 4.526 4.640 0.001 0.000 0.200 243 D C 1.747 178.002 176.300 -0.074 0.000 0.978 243 D CA 1.266 55.225 54.000 -0.068 0.000 0.833 243 D CB -0.314 40.441 40.800 -0.076 0.000 0.961 243 D HN 0.431 nan 8.370 nan 0.000 0.470 244 A N 1.279 124.071 122.820 -0.046 0.000 1.858 244 A HA -0.081 4.239 4.320 0.001 0.000 0.216 244 A C 2.351 179.959 177.584 0.041 0.000 1.190 244 A CA 2.418 54.470 52.037 0.024 0.000 0.617 244 A CB -0.847 18.214 19.000 0.102 0.000 0.827 244 A HN 0.238 nan 8.150 nan 0.000 0.443 245 A N 0.187 123.059 122.820 0.087 0.000 1.877 245 A HA -0.210 4.111 4.320 0.001 0.000 0.216 245 A C 1.883 179.291 177.584 -0.293 0.000 1.186 245 A CA 1.919 53.914 52.037 -0.071 0.000 0.620 245 A CB -0.680 18.442 19.000 0.203 0.000 0.822 245 A HN 0.545 nan 8.150 nan 0.000 0.443 246 N N 0.448 119.148 118.700 0.000 0.000 2.309 246 N HA -0.121 4.619 4.740 0.001 0.000 0.182 246 N C 1.981 177.588 175.510 0.161 0.000 1.018 246 N CA 1.609 54.755 53.050 0.161 0.000 0.876 246 N CB -0.460 38.167 38.487 0.232 0.000 0.972 246 N HN 0.666 nan 8.380 nan 0.000 0.434 247 S N -0.337 115.377 115.700 0.022 0.000 2.402 247 S HA -0.038 4.432 4.470 0.001 0.000 0.229 247 S C 2.034 176.731 174.600 0.161 0.000 1.021 247 S CA 0.787 59.033 58.200 0.076 0.000 0.974 247 S CB -0.526 62.638 63.200 -0.059 0.000 0.800 247 S HN 0.024 nan 8.310 nan 0.000 0.484 248 V N 0.661 120.569 119.914 -0.010 0.000 2.346 248 V HA -0.053 4.068 4.120 0.001 0.000 0.244 248 V C 2.198 178.298 176.094 0.009 0.000 1.037 248 V CA 1.544 63.805 62.300 -0.065 0.000 1.029 248 V CB -1.057 30.643 31.823 -0.205 0.000 0.663 248 V HN 0.574 nan 8.190 nan 0.000 0.454 249 Y N 0.438 120.817 120.300 0.132 0.000 2.352 249 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 249 Y C 2.487 178.445 175.900 0.097 0.000 1.136 249 Y CA 0.541 58.708 58.100 0.112 0.000 1.227 249 Y CB -0.363 38.167 38.460 0.116 0.000 0.991 249 Y HN 0.238 nan 8.280 nan 0.000 0.545 250 A N 0.057 123.031 122.820 0.257 0.000 2.121 250 A HA 0.023 4.343 4.320 0.001 0.000 0.218 250 A C 0.813 178.424 177.584 0.046 0.000 1.154 250 A CA 0.583 52.719 52.037 0.164 0.000 0.679 250 A CB -0.619 18.531 19.000 0.251 0.000 0.795 250 A HN 0.098 nan 8.150 nan 0.000 0.458 251 V N 1.078 121.001 119.914 0.016 0.000 2.383 251 V HA 0.278 4.398 4.120 0.001 0.000 0.275 251 V C 0.336 176.326 176.094 -0.175 0.000 1.036 251 V CA -0.583 61.616 62.300 -0.167 0.000 0.889 251 V CB 0.350 32.061 31.823 -0.187 0.000 0.985 251 V HN 0.618 nan 8.190 nan 0.000 0.459 252 H N 3.159 122.092 119.070 -0.227 0.000 2.690 252 H HA -0.203 4.354 4.556 0.001 0.000 0.309 252 H C 1.532 176.797 175.328 -0.106 0.000 1.138 252 H CA 1.045 56.886 56.048 -0.345 0.000 1.142 252 H CB -1.143 27.983 29.762 -1.060 0.000 1.410 252 H HN 1.322 nan 8.280 nan 0.000 0.409 253 G N 0.289 109.160 108.800 0.118 0.000 2.390 253 G HA2 -0.329 3.632 3.960 0.001 0.000 0.299 253 G HA3 -0.329 3.632 3.960 0.001 0.000 0.299 253 G C 1.211 176.286 174.900 0.292 0.000 1.002 253 G CA 0.519 45.734 45.100 0.191 0.000 0.979 253 G HN 0.583 nan 8.290 nan 0.000 0.513 254 L N -0.663 120.720 121.223 0.267 0.000 2.456 254 L HA -0.040 4.301 4.340 0.001 0.000 0.224 254 L C 2.871 179.995 176.870 0.423 0.000 1.148 254 L CA 1.761 56.823 54.840 0.370 0.000 0.825 254 L CB -0.217 41.967 42.059 0.207 0.000 0.937 254 L HN 0.689 nan 8.230 nan 0.000 0.450 255 K N 0.069 120.647 120.400 0.297 0.000 2.360 255 K HA -0.183 4.138 4.320 0.001 0.000 0.201 255 K C 1.898 178.535 176.600 0.061 0.000 1.046 255 K CA 1.014 57.353 56.287 0.086 0.000 0.945 255 K CB -0.206 32.175 32.500 -0.197 0.000 0.750 255 K HN 0.263 nan 8.250 nan 0.000 0.464 256 R N -0.387 120.161 120.500 0.080 0.000 2.148 256 R HA -0.084 4.257 4.340 0.001 0.000 0.227 256 R C 1.190 177.359 176.300 -0.219 0.000 1.103 256 R CA 1.573 57.595 56.100 -0.131 0.000 0.983 256 R CB -0.178 29.946 30.300 -0.293 0.000 0.874 256 R HN 0.383 nan 8.270 nan 0.000 0.451 257 Y N -1.000 119.370 120.300 0.117 0.000 2.559 257 Y HA 0.145 4.696 4.550 0.001 0.000 0.279 257 Y C 0.728 176.702 175.900 0.123 0.000 1.117 257 Y CA -0.395 57.781 58.100 0.126 0.000 1.263 257 Y CB 0.844 39.400 38.460 0.160 0.000 1.230 257 Y HN -0.202 nan 8.280 nan 0.000 0.528 258 V N -1.770 118.322 119.914 0.297 0.000 2.925 258 V HA 0.513 4.634 4.120 0.001 0.000 0.311 258 V C -1.246 174.991 176.094 0.239 0.000 1.104 258 V CA -1.179 61.260 62.300 0.231 0.000 0.954 258 V CB 2.029 33.980 31.823 0.213 0.000 1.022 258 V HN 0.144 nan 8.190 nan 0.000 0.427 259 N N 2.754 121.549 118.700 0.159 0.000 2.399 259 N HA 0.637 5.378 4.740 0.001 0.000 0.284 259 N C -1.259 174.307 175.510 0.094 0.000 1.025 259 N CA -0.708 52.433 53.050 0.151 0.000 0.885 259 N CB 2.201 40.710 38.487 0.038 0.000 1.339 259 N HN 0.645 nan 8.380 nan 0.000 0.487 260 L N 2.008 123.317 121.223 0.143 0.000 2.326 260 L HA 0.285 4.625 4.340 0.001 0.000 0.278 260 L C 0.049 176.839 176.870 -0.133 0.000 1.092 260 L CA -0.309 54.468 54.840 -0.105 0.000 0.810 260 L CB 0.614 42.546 42.059 -0.211 0.000 1.153 260 L HN 0.516 nan 8.230 nan 0.000 0.439 261 H N 3.328 122.124 119.070 -0.456 0.000 2.860 261 H HA 0.395 4.951 4.556 0.001 0.000 0.312 261 H C -1.153 173.945 175.328 -0.384 0.000 0.995 261 H CA -0.797 54.991 56.048 -0.434 0.000 1.311 261 H CB 0.760 30.013 29.762 -0.848 0.000 1.478 261 H HN 0.365 nan 8.280 nan 0.000 0.508 262 F N 4.876 124.964 119.950 0.229 0.000 2.396 262 F HA 0.312 4.839 4.527 0.001 0.000 0.343 262 F C 0.106 176.083 175.800 0.295 0.000 1.104 262 F CA -0.572 57.554 58.000 0.211 0.000 1.161 262 F CB 1.269 40.360 39.000 0.152 0.000 1.146 262 F HN 0.238 nan 8.300 nan 0.000 0.522 263 V N 2.324 122.481 119.914 0.405 0.000 2.876 263 V HA 0.796 4.916 4.120 0.001 0.000 0.312 263 V C -1.580 174.662 176.094 0.248 0.000 1.085 263 V CA -1.064 61.444 62.300 0.348 0.000 0.945 263 V CB 1.858 33.890 31.823 0.349 0.000 1.017 263 V HN 0.640 nan 8.190 nan 0.000 0.428 264 L N 5.383 126.747 121.223 0.235 0.000 2.381 264 L HA 0.904 5.245 4.340 0.001 0.000 0.274 264 L C -0.894 176.102 176.870 0.209 0.000 0.988 264 L CA -0.213 54.707 54.840 0.133 0.000 0.824 264 L CB 1.589 43.730 42.059 0.137 0.000 1.263 264 L HN 0.928 nan 8.230 nan 0.000 0.410 265 Y N 0.378 120.757 120.300 0.132 0.000 2.715 265 Y HA 0.831 5.382 4.550 0.001 0.000 0.331 265 Y C -0.544 175.420 175.900 0.106 0.000 1.197 265 Y CA -1.199 56.962 58.100 0.102 0.000 1.079 265 Y CB 0.794 39.306 38.460 0.086 0.000 1.298 265 Y HN 0.413 nan 8.280 nan 0.000 0.477 266 T N 1.131 115.865 114.554 0.300 0.000 2.875 266 T HA 0.428 4.779 4.350 0.001 0.000 0.284 266 T C -0.399 174.438 174.700 0.228 0.000 0.995 266 T CA -0.468 61.742 62.100 0.183 0.000 1.060 266 T CB 1.347 70.291 68.868 0.126 0.000 0.967 266 T HN 0.771 nan 8.240 nan 0.000 0.476 267 T N 1.122 115.787 114.554 0.185 0.000 2.925 267 T HA 0.232 4.582 4.350 0.001 0.000 0.285 267 T C 1.045 175.852 174.700 0.179 0.000 1.021 267 T CA -0.755 61.476 62.100 0.218 0.000 1.042 267 T CB 0.979 70.015 68.868 0.281 0.000 1.037 267 T HN 0.482 nan 8.240 nan 0.000 0.481 268 E N 1.774 122.077 120.200 0.172 0.000 2.418 268 E HA -0.029 4.322 4.350 0.001 0.000 0.197 268 E C -0.062 176.629 176.600 0.151 0.000 1.026 268 E CA 0.320 56.799 56.400 0.130 0.000 0.862 268 E CB -0.092 29.673 29.700 0.107 0.000 0.799 268 E HN 0.660 nan 8.360 nan 0.000 0.518 269 Y N 1.218 121.582 120.300 0.107 0.000 2.425 269 Y HA 0.267 4.817 4.550 0.001 0.000 0.331 269 Y C -0.240 175.722 175.900 0.103 0.000 1.157 269 Y CA -0.493 57.681 58.100 0.123 0.000 1.372 269 Y CB 0.559 39.144 38.460 0.208 0.000 1.253 269 Y HN -0.127 nan 8.280 nan 0.000 0.536 270 A N 4.646 127.045 122.820 -0.701 0.000 2.475 270 A HA 0.556 4.877 4.320 0.001 0.000 0.301 270 A C -1.002 176.030 177.584 -0.921 0.000 1.059 270 A CA -0.791 50.895 52.037 -0.584 0.000 0.710 270 A CB 0.328 19.178 19.000 -0.251 0.000 1.288 270 A HN 0.859 nan 8.150 nan 0.000 0.408 271 C N 3.126 122.177 119.300 -0.415 0.000 2.611 271 C HA 0.244 4.705 4.460 0.001 0.000 0.416 271 C C -0.349 174.586 174.990 -0.092 0.000 1.366 271 C CA 0.039 58.993 59.018 -0.106 0.000 1.761 271 C CB -0.245 27.640 27.740 0.242 0.000 2.619 271 C HN 0.759 nan 8.230 nan 0.000 0.606 272 P HA -0.014 nan 4.420 nan 0.000 0.229 272 P C 0.377 177.692 177.300 0.024 0.000 1.160 272 P CA 1.041 64.141 63.100 0.000 0.000 0.777 272 P CB 0.203 31.930 31.700 0.046 0.000 0.814 273 S N -2.465 113.270 115.700 0.058 0.000 2.819 273 S HA 0.575 5.046 4.470 0.001 0.000 0.299 273 S C 1.171 175.828 174.600 0.096 0.000 1.192 273 S CA -0.099 58.136 58.200 0.059 0.000 0.847 273 S CB 0.721 63.957 63.200 0.060 0.000 1.224 273 S HN -0.051 nan 8.310 nan 0.000 0.537 274 G N 0.410 109.262 108.800 0.087 0.000 2.813 274 G HA2 0.073 4.033 3.960 0.001 0.000 0.209 274 G HA3 0.073 4.033 3.960 0.001 0.000 0.209 274 G C 0.406 175.443 174.900 0.228 0.000 1.150 274 G CA -0.179 44.995 45.100 0.125 0.000 0.785 274 G HN 0.707 nan 8.290 nan 0.000 0.535 275 N N 0.830 119.631 118.700 0.167 0.000 2.430 275 N HA 0.300 5.040 4.740 0.001 0.000 0.265 275 N C 1.484 177.036 175.510 0.069 0.000 1.100 275 N CA 0.262 53.378 53.050 0.110 0.000 0.961 275 N CB 1.532 40.050 38.487 0.051 0.000 1.075 275 N HN -0.020 nan 8.380 nan 0.000 0.478 276 A N 4.322 127.102 122.820 -0.068 0.000 1.902 276 A HA -0.184 4.136 4.320 0.001 0.000 0.217 276 A C 1.529 178.920 177.584 -0.321 0.000 1.181 276 A CA 1.738 53.509 52.037 -0.443 0.000 0.623 276 A CB -0.361 18.338 19.000 -0.501 0.000 0.818 276 A HN 0.795 nan 8.150 nan 0.000 0.443 277 D N -0.744 119.533 120.400 -0.204 0.000 2.097 277 D HA -0.153 4.487 4.640 0.001 0.000 0.195 277 D C 1.948 178.185 176.300 -0.105 0.000 0.989 277 D CA 1.490 55.375 54.000 -0.191 0.000 0.827 277 D CB -0.230 40.485 40.800 -0.142 0.000 0.966 277 D HN 0.697 nan 8.370 nan 0.000 0.456 278 E N 0.228 120.411 120.200 -0.029 0.000 2.118 278 E HA -0.158 4.192 4.350 0.001 0.000 0.195 278 E C 2.219 178.879 176.600 0.100 0.000 0.992 278 E CA 1.261 57.687 56.400 0.043 0.000 0.804 278 E CB -0.261 29.474 29.700 0.059 0.000 0.741 278 E HN 0.315 nan 8.360 nan 0.000 0.458 279 G N 1.284 110.138 108.800 0.089 0.000 2.418 279 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 279 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 279 G C 1.489 176.512 174.900 0.205 0.000 1.158 279 G CA 0.865 46.093 45.100 0.214 0.000 0.771 279 G HN 0.307 nan 8.290 nan 0.000 0.545 280 L N 0.837 122.060 121.223 -0.000 0.000 2.056 280 L HA 0.048 4.389 4.340 0.001 0.000 0.207 280 L C 2.146 179.092 176.870 0.128 0.000 1.078 280 L CA 1.996 56.834 54.840 -0.003 0.000 0.749 280 L CB -0.567 41.299 42.059 -0.321 0.000 0.901 280 L HN 0.065 nan 8.230 nan 0.000 0.433 281 D N -0.110 120.359 120.400 0.114 0.000 2.106 281 D HA -0.188 4.452 4.640 0.001 0.000 0.191 281 D C 2.094 178.483 176.300 0.148 0.000 0.997 281 D CA 1.664 55.798 54.000 0.223 0.000 0.834 281 D CB -0.655 40.246 40.800 0.168 0.000 0.956 281 D HN 0.515 nan 8.370 nan 0.000 0.448 282 G N -0.314 108.582 108.800 0.160 0.000 2.422 282 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 282 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 282 G C 1.559 176.282 174.900 -0.295 0.000 1.146 282 G CA 0.358 45.545 45.100 0.145 0.000 0.769 282 G HN 0.328 nan 8.290 nan 0.000 0.547 283 F N 1.744 121.347 119.950 -0.578 0.000 2.113 283 F HA -0.085 4.443 4.527 0.001 0.000 0.297 283 F C 2.869 178.419 175.800 -0.417 0.000 1.103 283 F CA 1.888 59.364 58.000 -0.873 0.000 1.248 283 F CB -0.136 38.635 39.000 -0.381 0.000 0.999 283 F HN 0.107 nan 8.300 nan 0.000 0.475 284 T N 0.720 115.076 114.554 -0.331 0.000 2.788 284 T HA -0.177 4.173 4.350 0.001 0.000 0.268 284 T C 2.125 176.604 174.700 -0.369 0.000 1.044 284 T CA 1.224 63.113 62.100 -0.351 0.000 1.139 284 T CB -0.718 68.186 68.868 0.061 0.000 0.867 284 T HN 0.408 nan 8.240 nan 0.000 0.454 285 A N 1.942 124.623 122.820 -0.232 0.000 1.933 285 A HA -0.119 4.201 4.320 0.001 0.000 0.218 285 A C 2.601 180.025 177.584 -0.268 0.000 1.175 285 A CA 2.173 54.094 52.037 -0.193 0.000 0.628 285 A CB -0.959 17.996 19.000 -0.076 0.000 0.814 285 A HN 0.612 nan 8.150 nan 0.000 0.444 286 S N 0.064 115.562 115.700 -0.338 0.000 2.382 286 S HA -0.123 4.348 4.470 0.001 0.000 0.228 286 S C 1.891 176.238 174.600 -0.422 0.000 1.027 286 S CA 1.507 59.531 58.200 -0.293 0.000 0.991 286 S CB -0.733 62.310 63.200 -0.261 0.000 0.823 286 S HN 0.462 nan 8.310 nan 0.000 0.469 287 L N 0.846 121.648 121.223 -0.701 0.000 2.027 287 L HA -0.017 4.324 4.340 0.001 0.000 0.206 287 L C 2.837 178.978 176.870 -1.216 0.000 1.074 287 L CA 1.495 55.699 54.840 -1.060 0.000 0.745 287 L CB -0.460 40.718 42.059 -1.469 0.000 0.898 287 L HN 0.291 nan 8.230 nan 0.000 0.433 288 K N 0.178 120.043 120.400 -0.893 0.000 2.148 288 K HA -0.075 4.246 4.320 0.001 0.000 0.204 288 K C 2.035 178.462 176.600 -0.288 0.000 1.050 288 K CA 1.238 57.216 56.287 -0.515 0.000 0.942 288 K CB -0.183 32.176 32.500 -0.235 0.000 0.724 288 K HN 0.266 nan 8.250 nan 0.000 0.446 289 A N 1.299 123.962 122.820 -0.261 0.000 2.169 289 A HA -0.037 4.284 4.320 0.001 0.000 0.212 289 A C 0.702 178.215 177.584 -0.117 0.000 1.153 289 A CA 0.222 52.174 52.037 -0.142 0.000 0.756 289 A CB -0.157 18.781 19.000 -0.103 0.000 0.813 289 A HN 0.130 nan 8.150 nan 0.000 0.471 290 N N 0.412 119.008 118.700 -0.173 0.000 2.437 290 N HA 0.278 5.018 4.740 0.001 0.000 0.243 290 N C -2.159 173.324 175.510 -0.044 0.000 1.041 290 N CA -2.266 50.724 53.050 -0.101 0.000 0.940 290 N CB 1.318 39.732 38.487 -0.121 0.000 1.133 290 N HN -0.085 nan 8.380 nan 0.000 0.506 291 P HA -0.185 nan 4.420 nan 0.000 0.217 291 P C 1.223 178.563 177.300 0.066 0.000 1.148 291 P CA 0.970 64.088 63.100 0.030 0.000 0.828 291 P CB 0.359 32.073 31.700 0.023 0.000 0.783 292 K N 0.377 120.813 120.400 0.060 0.000 2.152 292 K HA -0.123 4.197 4.320 0.001 0.000 0.206 292 K C 1.584 178.284 176.600 0.167 0.000 1.048 292 K CA 1.690 58.030 56.287 0.088 0.000 0.933 292 K CB -0.528 32.006 32.500 0.057 0.000 0.721 292 K HN 0.071 nan 8.250 nan 0.000 0.447 293 A N 0.967 123.892 122.820 0.176 0.000 2.275 293 A HA 0.063 4.383 4.320 0.001 0.000 0.212 293 A C -0.008 177.888 177.584 0.520 0.000 1.201 293 A CA -0.159 52.088 52.037 0.351 0.000 0.843 293 A CB -0.082 19.029 19.000 0.184 0.000 0.873 293 A HN 0.362 nan 8.150 nan 0.000 0.492 294 E N -0.577 119.813 120.200 0.316 0.000 2.529 294 E HA 0.293 4.643 4.350 0.001 0.000 0.259 294 E C 1.180 177.846 176.600 0.110 0.000 0.966 294 E CA 0.775 57.305 56.400 0.216 0.000 0.937 294 E CB 0.138 29.904 29.700 0.110 0.000 0.923 294 E HN 0.598 nan 8.360 nan 0.000 0.468 295 G N 2.959 111.745 108.800 -0.022 0.000 2.176 295 G HA2 -0.316 3.645 3.960 0.001 0.000 0.253 295 G HA3 -0.316 3.645 3.960 0.001 0.000 0.253 295 G C 0.187 174.815 174.900 -0.454 0.000 0.979 295 G CA 0.062 45.003 45.100 -0.264 0.000 0.641 295 G HN 0.604 nan 8.290 nan 0.000 0.530 296 Y N 1.369 121.681 120.300 0.020 0.000 2.720 296 Y HA 0.254 4.804 4.550 0.001 0.000 0.268 296 Y C 1.676 177.499 175.900 -0.129 0.000 1.142 296 Y CA -0.088 58.031 58.100 0.031 0.000 1.193 296 Y CB 0.410 38.974 38.460 0.174 0.000 1.176 296 Y HN 0.355 nan 8.280 nan 0.000 0.542 297 D N -0.478 119.672 120.400 -0.416 0.000 2.371 297 D HA -0.136 4.504 4.640 0.001 0.000 0.221 297 D C 0.456 176.464 176.300 -0.485 0.000 0.986 297 D CA 0.795 54.097 54.000 -1.162 0.000 0.899 297 D CB -0.023 40.144 40.800 -1.054 0.000 0.902 297 D HN 0.477 nan 8.370 nan 0.000 0.530 298 D N -0.365 119.940 120.400 -0.158 0.000 2.368 298 D HA -0.005 4.636 4.640 0.001 0.000 0.218 298 D C 0.491 176.892 176.300 0.168 0.000 1.112 298 D CA -0.126 53.871 54.000 -0.006 0.000 0.834 298 D CB 0.126 40.916 40.800 -0.016 0.000 0.953 298 D HN 0.006 nan 8.370 nan 0.000 0.505 299 Q N 0.114 120.013 119.800 0.164 0.000 2.293 299 Q HA 0.512 4.853 4.340 0.001 0.000 0.216 299 Q C 0.244 176.248 176.000 0.006 0.000 1.003 299 Q CA -0.766 55.080 55.803 0.072 0.000 0.995 299 Q CB 1.679 30.388 28.738 -0.048 0.000 1.172 299 Q HN 0.163 nan 8.270 nan 0.000 0.518 300 I N 0.657 121.089 120.570 -0.229 0.000 2.437 300 I HA 0.308 4.478 4.170 0.001 0.000 0.298 300 I C -0.971 174.910 176.117 -0.393 0.000 0.984 300 I CA -0.673 60.500 61.300 -0.212 0.000 1.214 300 I CB 0.830 38.663 38.000 -0.279 0.000 1.365 300 I HN 0.356 nan 8.210 nan 0.000 0.469 301 Y N 4.952 125.218 120.300 -0.056 0.000 2.391 301 Y HA 0.530 5.080 4.550 0.001 0.000 0.341 301 Y C -0.778 175.108 175.900 -0.023 0.000 0.965 301 Y CA -0.575 57.576 58.100 0.085 0.000 1.067 301 Y CB 1.819 40.380 38.460 0.169 0.000 1.199 301 Y HN 0.300 nan 8.280 nan 0.000 0.450 302 F N 3.469 123.685 119.950 0.443 0.000 2.507 302 F HA 0.449 4.977 4.527 0.001 0.000 0.325 302 F C -0.681 175.168 175.800 0.081 0.000 1.116 302 F CA -1.020 57.156 58.000 0.293 0.000 0.930 302 F CB 1.553 40.672 39.000 0.199 0.000 1.146 302 F HN 0.272 nan 8.300 nan 0.000 0.447 303 L N 6.222 127.325 121.223 -0.199 0.000 2.313 303 L HA 0.530 4.871 4.340 0.001 0.000 0.282 303 L C -0.343 176.549 176.870 0.036 0.000 1.092 303 L CA -0.217 54.357 54.840 -0.444 0.000 0.831 303 L CB 0.147 41.593 42.059 -1.021 0.000 1.159 303 L HN 0.497 nan 8.230 nan 0.000 0.442 304 I N 2.978 123.596 120.570 0.080 0.000 2.648 304 I HA 0.829 5.000 4.170 0.001 0.000 0.304 304 I C -0.546 175.618 176.117 0.078 0.000 1.009 304 I CA -0.805 60.566 61.300 0.118 0.000 1.114 304 I CB 1.849 39.905 38.000 0.094 0.000 1.293 304 I HN 0.778 nan 8.210 nan 0.000 0.449 305 R N 2.406 122.939 120.500 0.056 0.000 2.795 305 R HA 0.372 4.713 4.340 0.001 0.000 0.268 305 R C -0.747 175.585 176.300 0.053 0.000 1.041 305 R CA -0.952 55.147 56.100 -0.002 0.000 0.927 305 R CB 0.719 30.917 30.300 -0.170 0.000 1.235 305 R HN 0.860 nan 8.270 nan 0.000 0.463 306 W N 1.130 122.382 121.300 -0.080 0.000 2.494 306 W HA 0.352 5.013 4.660 0.001 0.000 0.286 306 W C 0.628 177.109 176.519 -0.063 0.000 1.218 306 W CA 1.419 58.767 57.345 0.006 0.000 1.313 306 W CB -0.036 29.494 29.460 0.118 0.000 1.105 306 W HN 0.783 nan 8.180 nan 0.000 0.561 307 G N 0.133 108.884 108.800 -0.082 0.000 2.508 307 G HA2 0.427 4.388 3.960 0.001 0.000 0.278 307 G HA3 0.427 4.388 3.960 0.001 0.000 0.278 307 G C -0.346 174.245 174.900 -0.516 0.000 1.389 307 G CA 0.266 45.167 45.100 -0.332 0.000 1.050 307 G HN 0.135 nan 8.290 nan 0.000 0.522 308 T N -3.930 110.330 114.554 -0.491 0.000 2.883 308 T HA 0.617 4.968 4.350 0.001 0.000 0.284 308 T C -0.486 173.945 174.700 -0.447 0.000 1.041 308 T CA -0.968 60.880 62.100 -0.420 0.000 1.007 308 T CB 1.781 70.469 68.868 -0.300 0.000 1.220 308 T HN 0.529 nan 8.240 nan 0.000 0.552 309 W N -0.003 121.227 121.300 -0.118 0.000 2.630 309 W HA 0.375 5.035 4.660 0.001 0.000 0.365 309 W C -0.227 176.245 176.519 -0.079 0.000 1.270 309 W CA -0.460 56.840 57.345 -0.076 0.000 1.291 309 W CB 0.677 30.104 29.460 -0.055 0.000 1.440 309 W HN 0.629 nan 8.180 nan 0.000 0.652 310 D N 0.117 120.634 120.400 0.195 0.000 2.478 310 D HA -0.054 4.587 4.640 0.001 0.000 0.234 310 D C 0.252 176.584 176.300 0.053 0.000 1.154 310 D CA 1.317 55.366 54.000 0.081 0.000 0.874 310 D CB 0.077 40.920 40.800 0.072 0.000 1.198 310 D HN 0.367 nan 8.370 nan 0.000 0.455 311 N N 1.072 119.779 118.700 0.012 0.000 2.776 311 N HA -0.273 4.467 4.740 0.001 0.000 0.250 311 N C -0.838 174.654 175.510 -0.031 0.000 1.112 311 N CA 0.579 53.624 53.050 -0.009 0.000 0.733 311 N CB -1.630 36.855 38.487 -0.005 0.000 1.097 311 N HN 0.574 nan 8.380 nan 0.000 0.558 312 N N -0.936 117.736 118.700 -0.045 0.000 2.716 312 N HA -0.216 4.524 4.740 0.001 0.000 0.250 312 N C -0.824 174.611 175.510 -0.126 0.000 1.033 312 N CA 0.875 53.862 53.050 -0.105 0.000 0.727 312 N CB -0.681 37.730 38.487 -0.126 0.000 0.950 312 N HN 0.540 nan 8.380 nan 0.000 0.541 313 I N 0.629 121.186 120.570 -0.021 0.000 2.441 313 I HA 0.004 4.175 4.170 0.001 0.000 0.287 313 I C 1.555 177.710 176.117 0.063 0.000 1.049 313 I CA -0.211 61.095 61.300 0.011 0.000 1.381 313 I CB 0.886 38.926 38.000 0.066 0.000 1.409 313 I HN 0.213 nan 8.210 nan 0.000 0.523 314 L N 5.749 126.940 121.223 -0.054 0.000 2.375 314 L HA 0.313 4.653 4.340 0.001 0.000 0.215 314 L C 0.955 177.949 176.870 0.208 0.000 1.108 314 L CA 0.144 54.937 54.840 -0.078 0.000 0.830 314 L CB -0.216 41.609 42.059 -0.390 0.000 0.959 314 L HN 0.815 nan 8.230 nan 0.000 0.457 315 G N -0.565 108.336 108.800 0.169 0.000 2.349 315 G HA2 0.486 4.447 3.960 0.001 0.000 0.294 315 G HA3 0.486 4.447 3.960 0.001 0.000 0.294 315 G C -2.085 172.783 174.900 -0.052 0.000 1.380 315 G CA -0.365 44.763 45.100 0.046 0.000 0.811 315 G HN -0.135 nan 8.290 nan 0.000 0.519 316 I N -0.083 120.426 120.570 -0.102 0.000 2.828 316 I HA 0.644 4.814 4.170 0.001 0.000 0.295 316 I C -0.739 175.342 176.117 -0.060 0.000 1.459 316 I CA -0.387 60.841 61.300 -0.121 0.000 1.015 316 I CB 2.194 39.992 38.000 -0.337 0.000 1.345 316 I HN 1.207 nan 8.210 nan 0.000 0.449 317 S N 3.274 118.943 115.700 -0.052 0.000 2.607 317 S HA 0.596 5.066 4.470 0.001 0.000 0.273 317 S C -1.848 172.685 174.600 -0.112 0.000 1.148 317 S CA -0.817 57.368 58.200 -0.025 0.000 0.833 317 S CB 1.038 64.362 63.200 0.207 0.000 1.130 317 S HN 0.591 nan 8.310 nan 0.000 0.470 318 W N 1.372 122.718 121.300 0.076 0.000 2.345 318 W HA 0.521 5.181 4.660 0.001 0.000 0.308 318 W C 0.058 176.612 176.519 0.058 0.000 1.273 318 W CA -0.583 56.797 57.345 0.057 0.000 1.243 318 W CB 0.739 30.224 29.460 0.041 0.000 1.260 318 W HN 0.593 nan 8.180 nan 0.000 0.509 319 L N 5.442 126.823 121.223 0.263 0.000 2.410 319 L HA 0.153 4.494 4.340 0.001 0.000 0.273 319 L C 0.729 177.665 176.870 0.110 0.000 1.152 319 L CA 0.031 54.934 54.840 0.105 0.000 0.855 319 L CB 0.094 42.149 42.059 -0.007 0.000 1.129 319 L HN 0.620 nan 8.230 nan 0.000 0.463 320 N N 1.873 120.620 118.700 0.079 0.000 2.727 320 N HA -0.216 4.524 4.740 0.001 0.000 0.251 320 N C 0.256 175.808 175.510 0.069 0.000 1.040 320 N CA 1.044 54.129 53.050 0.058 0.000 0.712 320 N CB -0.955 37.543 38.487 0.020 0.000 0.912 320 N HN 0.836 nan 8.380 nan 0.000 0.545 321 S N -1.947 113.821 115.700 0.114 0.000 2.540 321 S HA 0.166 4.636 4.470 0.001 0.000 0.222 321 S C 0.087 174.753 174.600 0.110 0.000 1.008 321 S CA -0.377 57.883 58.200 0.099 0.000 0.939 321 S CB 0.299 63.595 63.200 0.161 0.000 0.865 321 S HN 0.413 nan 8.310 nan 0.000 0.499 322 Y N 2.627 122.939 120.300 0.021 0.000 2.350 322 Y HA 0.657 5.207 4.550 0.001 0.000 0.338 322 Y C -0.912 174.991 175.900 0.006 0.000 0.961 322 Y CA -0.989 57.118 58.100 0.011 0.000 1.100 322 Y CB 1.209 39.680 38.460 0.018 0.000 1.179 322 Y HN 0.215 nan 8.280 nan 0.000 0.454 323 N N 4.658 122.893 118.700 -0.776 0.000 2.336 323 N HA 0.153 4.893 4.740 0.001 0.000 0.290 323 N C 0.439 175.520 175.510 -0.715 0.000 1.058 323 N CA -0.227 52.520 53.050 -0.506 0.000 0.865 323 N CB 2.222 40.571 38.487 -0.230 0.000 1.581 323 N HN 0.642 nan 8.380 nan 0.000 0.480 324 V N 1.566 121.256 119.914 -0.374 0.000 2.720 324 V HA -0.108 4.013 4.120 0.001 0.000 0.256 324 V C 1.148 177.162 176.094 -0.133 0.000 1.082 324 V CA 1.721 63.917 62.300 -0.174 0.000 1.101 324 V CB -0.710 31.163 31.823 0.082 0.000 0.693 324 V HN 0.613 nan 8.190 nan 0.000 0.479 325 N N 0.930 119.550 118.700 -0.134 0.000 2.395 325 N HA -0.002 4.738 4.740 0.001 0.000 0.175 325 N C 1.498 176.939 175.510 -0.114 0.000 1.029 325 N CA 1.164 54.160 53.050 -0.090 0.000 0.897 325 N CB 0.129 38.579 38.487 -0.062 0.000 0.991 325 N HN 0.753 nan 8.380 nan 0.000 0.441 326 T N -3.037 111.416 114.554 -0.169 0.000 3.058 326 T HA 0.435 4.785 4.350 0.001 0.000 0.278 326 T C 0.514 175.103 174.700 -0.184 0.000 0.974 326 T CA -0.539 61.470 62.100 -0.150 0.000 0.893 326 T CB 0.113 68.904 68.868 -0.129 0.000 1.138 326 T HN 0.091 nan 8.240 nan 0.000 0.529 327 A N 2.096 124.753 122.820 -0.272 0.000 2.584 327 A HA 0.541 4.861 4.320 0.001 0.000 0.239 327 A C 0.707 178.205 177.584 -0.143 0.000 1.043 327 A CA 0.377 52.265 52.037 -0.248 0.000 0.756 327 A CB -0.413 18.398 19.000 -0.315 0.000 0.963 327 A HN 1.403 nan 8.150 nan 0.000 0.511 328 S N 0.797 116.418 115.700 -0.132 0.000 2.595 328 S HA 0.525 4.996 4.470 0.001 0.000 0.270 328 S C -0.670 173.820 174.600 -0.184 0.000 1.145 328 S CA -0.131 57.973 58.200 -0.160 0.000 0.825 328 S CB 0.961 64.083 63.200 -0.131 0.000 1.107 328 S HN 0.950 nan 8.310 nan 0.000 0.461 329 D N 0.022 120.280 120.400 -0.237 0.000 2.837 329 D HA -0.190 4.451 4.640 0.001 0.000 0.230 329 D C 0.139 176.426 176.300 -0.022 0.000 1.152 329 D CA 1.486 55.408 54.000 -0.129 0.000 0.736 329 D CB -2.037 38.715 40.800 -0.080 0.000 1.084 329 D HN 0.966 nan 8.370 nan 0.000 0.429 330 F N -2.009 117.886 119.950 -0.092 0.000 3.100 330 F HA -0.341 4.186 4.527 0.001 0.000 0.284 330 F C 1.715 177.439 175.800 -0.127 0.000 0.875 330 F CA 1.406 59.324 58.000 -0.136 0.000 1.039 330 F CB -1.898 36.899 39.000 -0.338 0.000 1.111 330 F HN 0.169 nan 8.300 nan 0.000 0.575 331 K N 0.335 120.716 120.400 -0.031 0.000 2.148 331 K HA 0.138 4.458 4.320 0.001 0.000 0.204 331 K C 1.510 178.120 176.600 0.017 0.000 1.050 331 K CA 1.083 57.291 56.287 -0.132 0.000 0.942 331 K CB -0.083 32.330 32.500 -0.146 0.000 0.724 331 K HN 0.366 nan 8.250 nan 0.000 0.446 332 A N 2.333 125.238 122.820 0.142 0.000 3.056 332 A HA 0.166 4.487 4.320 0.001 0.000 0.274 332 A C -0.310 177.394 177.584 0.201 0.000 1.661 332 A CA -0.379 51.783 52.037 0.209 0.000 1.363 332 A CB -0.391 18.790 19.000 0.301 0.000 1.139 332 A HN 0.189 nan 8.150 nan 0.000 0.598 333 S N -0.373 115.495 115.700 0.280 0.000 2.595 333 S HA 0.952 5.422 4.470 0.001 0.000 0.281 333 S C -0.097 174.649 174.600 0.244 0.000 1.117 333 S CA -0.209 58.154 58.200 0.270 0.000 0.873 333 S CB 1.973 65.356 63.200 0.306 0.000 1.108 333 S HN 1.410 nan 8.310 nan 0.000 0.477 334 G N 0.367 109.243 108.800 0.127 0.000 2.606 334 G HA2 0.643 4.604 3.960 0.001 0.000 0.300 334 G HA3 0.643 4.604 3.960 0.001 0.000 0.300 334 G C -1.844 173.225 174.900 0.282 0.000 1.360 334 G CA -0.994 44.191 45.100 0.141 0.000 0.783 334 G HN 0.724 nan 8.290 nan 0.000 0.484 335 M N 0.458 120.195 119.600 0.228 0.000 2.446 335 M HA 0.668 5.149 4.480 0.001 0.000 0.294 335 M C -0.891 175.534 176.300 0.208 0.000 1.158 335 M CA -0.856 54.528 55.300 0.139 0.000 0.899 335 M CB 2.446 34.898 32.600 -0.247 0.000 1.687 335 M HN 0.563 nan 8.290 nan 0.000 0.455 336 S N 0.562 116.460 115.700 0.331 0.000 2.546 336 S HA 0.410 4.880 4.470 0.001 0.000 0.272 336 S C -0.782 173.994 174.600 0.293 0.000 1.140 336 S CA -0.419 57.935 58.200 0.257 0.000 0.920 336 S CB 2.093 65.289 63.200 -0.007 0.000 1.083 336 S HN 0.775 nan 8.310 nan 0.000 0.476 337 T N 1.850 116.550 114.554 0.243 0.000 2.903 337 T HA 0.327 4.677 4.350 0.001 0.000 0.314 337 T C 1.281 175.984 174.700 0.005 0.000 1.078 337 T CA 0.819 62.931 62.100 0.021 0.000 1.114 337 T CB 0.317 69.103 68.868 -0.136 0.000 0.987 337 T HN 0.892 nan 8.240 nan 0.000 0.548 338 T N 0.700 115.250 114.554 -0.007 0.000 3.111 338 T HA 0.218 4.569 4.350 0.001 0.000 0.284 338 T C 0.534 175.276 174.700 0.070 0.000 0.983 338 T CA -0.605 61.522 62.100 0.044 0.000 0.900 338 T CB -0.072 68.850 68.868 0.090 0.000 1.132 338 T HN 0.802 nan 8.240 nan 0.000 0.531 339 Q N 0.778 120.534 119.800 -0.072 0.000 2.392 339 Q HA 0.376 4.717 4.340 0.001 0.000 0.262 339 Q C 1.130 177.159 176.000 0.049 0.000 1.003 339 Q CA -0.624 55.129 55.803 -0.083 0.000 0.888 339 Q CB 1.011 29.376 28.738 -0.621 0.000 1.260 339 Q HN 0.105 nan 8.270 nan 0.000 0.435 340 L N 2.325 123.641 121.223 0.155 0.000 2.079 340 L HA -0.178 4.163 4.340 0.001 0.000 0.210 340 L C 1.867 178.713 176.870 -0.040 0.000 1.081 340 L CA 1.812 56.714 54.840 0.103 0.000 0.752 340 L CB -0.251 41.918 42.059 0.183 0.000 0.896 340 L HN 0.861 nan 8.230 nan 0.000 0.433 341 M N -1.795 117.723 119.600 -0.136 0.000 2.630 341 M HA -0.074 4.406 4.480 0.001 0.000 0.254 341 M C 0.009 175.891 176.300 -0.695 0.000 1.092 341 M CA 0.874 55.942 55.300 -0.386 0.000 1.087 341 M CB -0.628 31.682 32.600 -0.482 0.000 1.453 341 M HN 0.202 nan 8.290 nan 0.000 0.509 342 Y N 1.018 121.193 120.300 -0.208 0.000 2.638 342 Y HA 0.309 4.859 4.550 0.001 0.000 0.367 342 Y C -2.006 173.861 175.900 -0.054 0.000 1.001 342 Y CA -2.541 55.366 58.100 -0.321 0.000 1.133 342 Y CB 0.066 38.183 38.460 -0.572 0.000 1.199 342 Y HN 0.051 nan 8.280 nan 0.000 0.642 343 P HA 0.105 nan 4.420 nan 0.000 0.268 343 P C 0.977 178.413 177.300 0.226 0.000 1.205 343 P CA 1.096 64.274 63.100 0.130 0.000 0.771 343 P CB 1.446 33.180 31.700 0.058 0.000 0.858 344 G N 1.232 110.113 108.800 0.136 0.000 2.176 344 G HA2 -0.280 3.681 3.960 0.001 0.000 0.253 344 G HA3 -0.280 3.681 3.960 0.001 0.000 0.253 344 G C 0.803 175.836 174.900 0.222 0.000 0.979 344 G CA 0.144 45.322 45.100 0.129 0.000 0.641 344 G HN 0.371 nan 8.290 nan 0.000 0.530 345 V N 0.979 121.044 119.914 0.250 0.000 2.295 345 V HA -0.173 3.947 4.120 0.001 0.000 0.246 345 V C 2.746 178.941 176.094 0.169 0.000 1.049 345 V CA 2.823 65.293 62.300 0.283 0.000 1.024 345 V CB -0.503 31.429 31.823 0.183 0.000 0.648 345 V HN 0.594 nan 8.190 nan 0.000 0.447 346 M N 0.053 119.662 119.600 0.014 0.000 2.117 346 M HA -0.180 4.301 4.480 0.001 0.000 0.262 346 M C 2.209 178.479 176.300 -0.050 0.000 1.065 346 M CA 2.210 57.404 55.300 -0.176 0.000 1.114 346 M CB -0.314 32.111 32.600 -0.292 0.000 1.361 346 M HN 0.354 nan 8.290 nan 0.000 0.408 347 A N -0.688 122.140 122.820 0.013 0.000 1.892 347 A HA -0.298 4.023 4.320 0.001 0.000 0.218 347 A C 1.818 179.435 177.584 0.055 0.000 1.188 347 A CA 2.356 54.410 52.037 0.029 0.000 0.631 347 A CB -1.351 17.628 19.000 -0.034 0.000 0.822 347 A HN 0.799 nan 8.150 nan 0.000 0.447 348 H N -0.526 118.529 119.070 -0.026 0.000 2.321 348 H HA -0.104 4.453 4.556 0.001 0.000 0.300 348 H C 2.011 177.270 175.328 -0.116 0.000 1.087 348 H CA 1.860 57.834 56.048 -0.123 0.000 1.319 348 H CB 0.096 29.786 29.762 -0.120 0.000 1.379 348 H HN 0.402 nan 8.280 nan 0.000 0.501 349 E N 0.348 120.688 120.200 0.233 0.000 2.106 349 E HA -0.132 4.218 4.350 0.001 0.000 0.192 349 E C 2.370 179.191 176.600 0.367 0.000 0.984 349 E CA 0.710 57.319 56.400 0.348 0.000 0.806 349 E CB -0.500 29.492 29.700 0.486 0.000 0.750 349 E HN 0.431 nan 8.360 nan 0.000 0.458 350 L N 1.080 122.541 121.223 0.396 0.000 2.083 350 L HA -0.049 4.292 4.340 0.001 0.000 0.209 350 L C 2.122 179.096 176.870 0.173 0.000 1.083 350 L CA 2.194 57.256 54.840 0.370 0.000 0.752 350 L CB -0.949 41.311 42.059 0.336 0.000 0.899 350 L HN 0.129 nan 8.230 nan 0.000 0.433 351 G N -1.426 107.426 108.800 0.087 0.000 2.491 351 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 351 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 351 G C 1.493 176.365 174.900 -0.047 0.000 1.180 351 G CA 1.070 46.187 45.100 0.028 0.000 0.774 351 G HN 0.543 nan 8.290 nan 0.000 0.562 352 H N 0.494 119.529 119.070 -0.059 0.000 2.352 352 H HA 0.015 4.571 4.556 0.001 0.000 0.299 352 H C 2.773 178.095 175.328 -0.009 0.000 1.097 352 H CA 1.123 57.105 56.048 -0.109 0.000 1.311 352 H CB -0.368 29.335 29.762 -0.098 0.000 1.377 352 H HN 0.340 nan 8.280 nan 0.000 0.504 353 I N 0.618 121.307 120.570 0.199 0.000 2.208 353 I HA -0.261 3.909 4.170 0.001 0.000 0.245 353 I C 1.933 178.143 176.117 0.154 0.000 1.097 353 I CA 1.079 62.485 61.300 0.177 0.000 1.363 353 I CB -0.193 37.898 38.000 0.151 0.000 1.051 353 I HN 0.113 nan 8.210 nan 0.000 0.413 354 L N 0.072 121.364 121.223 0.116 0.000 2.599 354 L HA 0.131 4.471 4.340 0.001 0.000 0.230 354 L C 1.508 178.400 176.870 0.037 0.000 1.141 354 L CA 0.686 55.582 54.840 0.094 0.000 0.877 354 L CB -0.239 41.850 42.059 0.050 0.000 1.009 354 L HN 0.524 nan 8.230 nan 0.000 0.447 355 G N -0.601 108.213 108.800 0.024 0.000 2.192 355 G HA2 -0.190 3.771 3.960 0.001 0.000 0.193 355 G HA3 -0.190 3.771 3.960 0.001 0.000 0.193 355 G C 0.362 175.230 174.900 -0.053 0.000 0.999 355 G CA -0.219 44.874 45.100 -0.011 0.000 0.659 355 G HN 0.407 nan 8.290 nan 0.000 0.503 356 A N 0.586 123.366 122.820 -0.067 0.000 2.488 356 A HA 0.589 4.910 4.320 0.001 0.000 0.249 356 A C 0.608 178.131 177.584 -0.102 0.000 1.083 356 A CA 0.111 52.092 52.037 -0.094 0.000 0.768 356 A CB 0.207 19.146 19.000 -0.100 0.000 1.017 356 A HN 0.374 nan 8.150 nan 0.000 0.496 357 N N 0.566 119.196 118.700 -0.117 0.000 2.413 357 N HA 0.180 4.920 4.740 0.001 0.000 0.266 357 N C -0.318 175.161 175.510 -0.051 0.000 1.238 357 N CA -0.200 52.742 53.050 -0.180 0.000 0.972 357 N CB 0.205 38.621 38.487 -0.117 0.000 1.210 357 N HN 0.760 nan 8.380 nan 0.000 0.547 358 H N -0.452 118.646 119.070 0.046 0.000 2.928 358 H HA 0.265 4.822 4.556 0.001 0.000 0.338 358 H C 0.083 175.451 175.328 0.068 0.000 1.047 358 H CA -0.443 55.657 56.048 0.087 0.000 1.435 358 H CB 0.632 30.483 29.762 0.147 0.000 1.428 358 H HN 0.505 nan 8.280 nan 0.000 0.590 359 A N 2.353 125.312 122.820 0.232 0.000 2.281 359 A HA 0.156 4.477 4.320 0.001 0.000 0.329 359 A C 0.434 178.162 177.584 0.241 0.000 1.122 359 A CA -0.766 51.382 52.037 0.184 0.000 0.850 359 A CB 0.762 19.855 19.000 0.155 0.000 1.207 359 A HN 0.806 nan 8.150 nan 0.000 0.495 360 D N -0.211 120.306 120.400 0.194 0.000 2.333 360 D HA 0.012 4.653 4.640 0.001 0.000 0.208 360 D C -0.336 176.099 176.300 0.224 0.000 0.984 360 D CA 0.723 54.855 54.000 0.219 0.000 0.873 360 D CB 0.256 41.132 40.800 0.126 0.000 0.935 360 D HN 0.535 nan 8.370 nan 0.000 0.521 361 D N 0.468 120.936 120.400 0.113 0.000 2.295 361 D HA 0.089 4.730 4.640 0.001 0.000 0.248 361 D C -1.810 174.284 176.300 -0.343 0.000 1.154 361 D CA -2.128 51.821 54.000 -0.085 0.000 0.857 361 D CB 2.166 42.912 40.800 -0.090 0.000 1.117 361 D HN -0.151 nan 8.370 nan 0.000 0.468 362 P HA -0.054 nan 4.420 nan 0.000 0.225 362 P C 0.491 177.346 177.300 -0.743 0.000 1.148 362 P CA 0.999 63.348 63.100 -1.252 0.000 0.779 362 P CB 0.268 31.444 31.700 -0.874 0.000 0.780 363 K N -1.107 118.883 120.400 -0.683 0.000 2.444 363 K HA 0.041 4.362 4.320 0.001 0.000 0.193 363 K C 0.488 176.704 176.600 -0.641 0.000 1.024 363 K CA 0.022 55.626 56.287 -1.138 0.000 1.077 363 K CB -0.017 31.894 32.500 -0.982 0.000 0.833 363 K HN 0.159 nan 8.250 nan 0.000 0.517 364 D N 1.333 121.567 120.400 -0.277 0.000 2.308 364 D HA -0.020 4.620 4.640 0.001 0.000 0.251 364 D C 1.084 177.403 176.300 0.032 0.000 1.127 364 D CA -0.206 53.757 54.000 -0.062 0.000 0.876 364 D CB 1.416 42.230 40.800 0.023 0.000 1.176 364 D HN -0.129 nan 8.370 nan 0.000 0.446 365 L N 4.803 126.030 121.223 0.006 0.000 2.085 365 L HA -0.226 4.114 4.340 0.001 0.000 0.218 365 L C 1.672 178.607 176.870 0.109 0.000 1.080 365 L CA 1.823 56.657 54.840 -0.011 0.000 0.776 365 L CB -0.273 41.623 42.059 -0.272 0.000 0.891 365 L HN 0.517 nan 8.230 nan 0.000 0.437 366 M N -1.458 118.160 119.600 0.030 0.000 2.530 366 M HA 0.076 4.556 4.480 0.001 0.000 0.231 366 M C 0.106 176.560 176.300 0.257 0.000 1.180 366 M CA -0.493 54.829 55.300 0.037 0.000 0.985 366 M CB -1.597 30.974 32.600 -0.050 0.000 1.623 366 M HN 0.224 nan 8.290 nan 0.000 0.475 367 Y N 1.339 121.710 120.300 0.117 0.000 2.683 367 Y HA -0.111 4.440 4.550 0.001 0.000 0.340 367 Y C 1.695 177.611 175.900 0.026 0.000 1.245 367 Y CA 0.567 58.712 58.100 0.075 0.000 1.485 367 Y CB 0.945 39.429 38.460 0.040 0.000 1.328 367 Y HN 0.411 nan 8.280 nan 0.000 0.603 368 S N 2.610 117.900 115.700 -0.682 0.000 2.453 368 S HA 0.017 4.487 4.470 0.001 0.000 0.231 368 S C 0.118 174.508 174.600 -0.350 0.000 1.005 368 S CA 0.509 58.212 58.200 -0.829 0.000 0.949 368 S CB -0.096 62.716 63.200 -0.646 0.000 0.774 368 S HN 0.536 nan 8.310 nan 0.000 0.510 369 K N 0.550 120.770 120.400 -0.301 0.000 2.156 369 K HA 0.293 4.614 4.320 0.001 0.000 0.254 369 K C -1.211 175.549 176.600 0.267 0.000 0.950 369 K CA -0.889 55.433 56.287 0.059 0.000 0.849 369 K CB 1.064 33.618 32.500 0.090 0.000 1.100 369 K HN 0.234 nan 8.250 nan 0.000 0.434 370 Y N 2.093 122.402 120.300 0.015 0.000 2.605 370 Y HA -0.083 4.467 4.550 0.001 0.000 0.336 370 Y C 0.829 176.816 175.900 0.144 0.000 1.111 370 Y CA 0.805 58.896 58.100 -0.015 0.000 1.422 370 Y CB 0.336 38.618 38.460 -0.296 0.000 1.193 370 Y HN 0.702 nan 8.280 nan 0.000 0.526 371 T N 0.862 115.135 114.554 -0.469 0.000 3.058 371 T HA 0.314 4.665 4.350 0.001 0.000 0.278 371 T C 1.204 175.673 174.700 -0.384 0.000 0.974 371 T CA 0.132 62.094 62.100 -0.231 0.000 0.893 371 T CB -0.013 68.910 68.868 0.092 0.000 1.138 371 T HN 1.198 nan 8.240 nan 0.000 0.529 372 G N 0.808 109.069 108.800 -0.898 0.000 2.179 372 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 372 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 372 G C -0.116 174.613 174.900 -0.285 0.000 0.977 372 G CA -0.011 44.791 45.100 -0.497 0.000 0.641 372 G HN 0.636 nan 8.290 nan 0.000 0.533 373 Y N -0.598 119.600 120.300 -0.169 0.000 2.326 373 Y HA 0.569 5.119 4.550 0.001 0.000 0.333 373 Y C 1.704 177.530 175.900 -0.124 0.000 1.240 373 Y CA -0.037 58.012 58.100 -0.085 0.000 1.365 373 Y CB 0.848 39.273 38.460 -0.058 0.000 1.289 373 Y HN 0.002 nan 8.280 nan 0.000 0.548 374 L N 2.163 123.352 121.223 -0.056 0.000 2.858 374 L HA 0.305 4.646 4.340 0.001 0.000 0.251 374 L C -1.130 175.275 176.870 -0.775 0.000 1.149 374 L CA 0.054 54.648 54.840 -0.411 0.000 0.955 374 L CB 0.174 41.911 42.059 -0.536 0.000 1.289 374 L HN 0.412 nan 8.230 nan 0.000 0.542 375 F N -1.580 118.362 119.950 -0.012 0.000 2.551 375 F HA 0.436 4.964 4.527 0.001 0.000 0.316 375 F C 0.617 176.341 175.800 -0.127 0.000 1.089 375 F CA -1.037 56.929 58.000 -0.058 0.000 0.915 375 F CB 0.911 39.914 39.000 0.005 0.000 1.186 375 F HN -0.110 nan 8.300 nan 0.000 0.456 376 H N 4.016 123.179 119.070 0.155 0.000 2.886 376 H HA 0.185 4.742 4.556 0.001 0.000 0.329 376 H C 0.558 175.910 175.328 0.039 0.000 1.044 376 H CA 0.606 56.685 56.048 0.052 0.000 1.456 376 H CB 1.289 31.047 29.762 -0.007 0.000 1.464 376 H HN 0.656 nan 8.280 nan 0.000 0.573 377 L N 1.663 122.953 121.223 0.112 0.000 2.642 377 L HA 0.061 4.401 4.340 0.001 0.000 0.233 377 L C 1.168 178.056 176.870 0.030 0.000 1.077 377 L CA 0.130 54.996 54.840 0.043 0.000 0.879 377 L CB 0.374 42.432 42.059 -0.001 0.000 1.151 377 L HN 0.345 nan 8.230 nan 0.000 0.495 378 S N 0.655 116.389 115.700 0.055 0.000 2.465 378 S HA 0.038 4.509 4.470 0.001 0.000 0.280 378 S C 1.058 175.667 174.600 0.014 0.000 1.232 378 S CA -0.292 57.932 58.200 0.040 0.000 1.066 378 S CB 0.713 63.948 63.200 0.058 0.000 0.929 378 S HN 0.247 nan 8.310 nan 0.000 0.494 379 E N 3.928 124.136 120.200 0.013 0.000 2.110 379 E HA -0.147 4.204 4.350 0.001 0.000 0.193 379 E C 1.800 178.421 176.600 0.034 0.000 0.988 379 E CA 1.137 57.547 56.400 0.017 0.000 0.804 379 E CB 0.043 29.766 29.700 0.038 0.000 0.745 379 E HN 0.695 nan 8.360 nan 0.000 0.458 380 K N 0.601 121.020 120.400 0.032 0.000 2.026 380 K HA -0.118 4.203 4.320 0.001 0.000 0.208 380 K C 1.937 178.542 176.600 0.007 0.000 1.048 380 K CA 1.193 57.498 56.287 0.031 0.000 0.929 380 K CB -0.035 32.482 32.500 0.029 0.000 0.713 380 K HN 0.008 nan 8.250 nan 0.000 0.439 381 N N 0.707 119.399 118.700 -0.013 0.000 2.166 381 N HA -0.099 4.641 4.740 0.001 0.000 0.186 381 N C 1.719 177.144 175.510 -0.142 0.000 1.019 381 N CA 1.274 54.285 53.050 -0.065 0.000 0.856 381 N CB -0.077 38.388 38.487 -0.037 0.000 0.993 381 N HN 0.197 nan 8.380 nan 0.000 0.426 382 M N 0.382 119.904 119.600 -0.130 0.000 2.159 382 M HA -0.133 4.347 4.480 0.001 0.000 0.263 382 M C 0.997 177.249 176.300 -0.079 0.000 1.063 382 M CA 1.270 56.454 55.300 -0.192 0.000 1.110 382 M CB -0.209 32.233 32.600 -0.263 0.000 1.374 382 M HN -0.019 nan 8.290 nan 0.000 0.411 383 D N 0.704 121.119 120.400 0.026 0.000 2.117 383 D HA -0.053 4.587 4.640 0.001 0.000 0.198 383 D C 1.902 178.240 176.300 0.062 0.000 0.982 383 D CA 1.207 55.257 54.000 0.084 0.000 0.828 383 D CB -0.256 40.647 40.800 0.173 0.000 0.967 383 D HN 0.342 nan 8.370 nan 0.000 0.464 384 I N 0.612 121.190 120.570 0.013 0.000 2.142 384 I HA -0.238 3.933 4.170 0.001 0.000 0.240 384 I C 2.369 178.475 176.117 -0.018 0.000 1.078 384 I CA 0.825 62.127 61.300 0.002 0.000 1.343 384 I CB -0.157 37.829 38.000 -0.023 0.000 1.046 384 I HN -0.054 nan 8.210 nan 0.000 0.405 385 I N 0.668 121.189 120.570 -0.081 0.000 2.163 385 I HA -0.314 3.857 4.170 0.001 0.000 0.243 385 I C 2.763 178.841 176.117 -0.065 0.000 1.085 385 I CA 1.509 62.751 61.300 -0.097 0.000 1.347 385 I CB -0.473 37.395 38.000 -0.221 0.000 1.044 385 I HN 0.204 nan 8.210 nan 0.000 0.408 386 A N 0.604 123.358 122.820 -0.110 0.000 1.898 386 A HA -0.215 4.105 4.320 0.001 0.000 0.216 386 A C 2.302 179.913 177.584 0.045 0.000 1.181 386 A CA 1.588 53.531 52.037 -0.157 0.000 0.620 386 A CB -0.445 18.204 19.000 -0.585 0.000 0.819 386 A HN 0.311 nan 8.150 nan 0.000 0.442 387 K N -0.212 120.284 120.400 0.159 0.000 2.103 387 K HA -0.121 4.200 4.320 0.001 0.000 0.207 387 K C 1.503 178.140 176.600 0.061 0.000 1.048 387 K CA 1.354 57.732 56.287 0.151 0.000 0.930 387 K CB -0.201 32.375 32.500 0.127 0.000 0.716 387 K HN 0.353 nan 8.250 nan 0.000 0.444 388 N N 0.740 119.467 118.700 0.046 0.000 2.453 388 N HA -0.072 4.669 4.740 0.001 0.000 0.183 388 N C 1.154 176.710 175.510 0.075 0.000 1.041 388 N CA 0.868 53.941 53.050 0.039 0.000 0.900 388 N CB 0.150 38.670 38.487 0.055 0.000 0.961 388 N HN 0.186 nan 8.380 nan 0.000 0.443 389 L N -1.267 120.003 121.223 0.079 0.000 2.667 389 L HA 0.283 4.624 4.340 0.001 0.000 0.232 389 L C 1.143 178.071 176.870 0.096 0.000 1.138 389 L CA 0.077 54.990 54.840 0.120 0.000 0.921 389 L CB 0.311 42.437 42.059 0.111 0.000 1.180 389 L HN 0.127 nan 8.230 nan 0.000 0.487 390 G N -0.861 107.967 108.800 0.045 0.000 2.184 390 G HA2 -0.288 3.673 3.960 0.001 0.000 0.206 390 G HA3 -0.288 3.673 3.960 0.001 0.000 0.206 390 G C -0.183 174.720 174.900 0.005 0.000 0.995 390 G CA -0.369 44.785 45.100 0.090 0.000 0.651 390 G HN 0.303 nan 8.290 nan 0.000 0.511 391 W N 2.026 123.019 121.300 -0.511 0.000 2.251 391 W HA 0.678 5.338 4.660 0.001 0.000 0.329 391 W C -0.092 176.283 176.519 -0.240 0.000 1.234 391 W CA -0.177 56.825 57.345 -0.571 0.000 1.228 391 W CB 0.773 29.753 29.460 -0.801 0.000 1.135 391 W HN 0.041 nan 8.180 nan 0.000 0.576 392 E N 4.728 124.318 120.200 -1.017 0.000 2.367 392 E HA 0.128 4.479 4.350 0.001 0.000 0.273 392 E C 0.447 175.936 176.600 -1.853 0.000 0.903 392 E CA -0.761 54.897 56.400 -1.237 0.000 0.764 392 E CB 2.001 31.378 29.700 -0.539 0.000 1.252 392 E HN 0.751 nan 8.360 nan 0.000 0.446 393 I N 1.480 121.155 120.570 -1.492 0.000 2.423 393 I HA -0.290 3.880 4.170 0.001 0.000 0.254 393 I C 1.831 177.693 176.117 -0.425 0.000 1.151 393 I CA 1.646 62.419 61.300 -0.880 0.000 1.421 393 I CB 0.148 37.929 38.000 -0.366 0.000 1.079 393 I HN 0.651 nan 8.210 nan 0.000 0.431 394 A N -0.015 122.585 122.820 -0.367 0.000 2.070 394 A HA -0.222 4.098 4.320 0.001 0.000 0.220 394 A C 1.718 179.220 177.584 -0.136 0.000 1.159 394 A CA 1.867 53.791 52.037 -0.190 0.000 0.656 394 A CB -0.537 18.370 19.000 -0.156 0.000 0.800 394 A HN 0.468 nan 8.150 nan 0.000 0.453 395 D N -0.580 119.698 120.400 -0.202 0.000 2.312 395 D HA 0.266 4.907 4.640 0.001 0.000 0.211 395 D C 1.434 177.806 176.300 0.119 0.000 0.964 395 D CA 1.155 55.142 54.000 -0.021 0.000 0.877 395 D CB -0.348 40.492 40.800 0.067 0.000 0.924 395 D HN 0.621 nan 8.370 nan 0.000 0.515 396 G N 0.682 109.563 108.800 0.135 0.000 2.697 396 G HA2 -0.226 3.734 3.960 0.001 0.000 0.240 396 G HA3 -0.226 3.734 3.960 0.001 0.000 0.240 396 G C -0.539 174.624 174.900 0.438 0.000 1.346 396 G CA -0.265 44.985 45.100 0.250 0.000 0.887 396 G HN 0.132 nan 8.290 nan 0.000 0.569 397 D N 0.000 120.595 120.400 0.326 0.000 6.856 397 D HA 0.000 4.641 4.640 0.001 0.000 0.175 397 D CA 0.000 54.183 54.000 0.305 0.000 0.868 397 D CB 0.000 40.937 40.800 0.228 0.000 0.688 397 D HN 0.000 nan 8.370 nan 0.000 0.683