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 3os6_1_A DATA FIRST_RESID 9 DATA SEQUENCE ELSEKLLEDY KTESSLFFAS PTRTILAEGE FTTVKHHEIE SFPELVQAVL DATA SEQUENCE RNAKQAGNPN PIVVGALPFD RRKEVQLIVP EYSRISERLQ LDXXXXXXXX DATA SEQUENCE XNLTFEXTPV PDHEVYXKGV KQGIEKIKDG DLKKIVLSRS LDVKSSGKID DATA SEQUENCE KQKLLRELAE HNKHGYTFAV NLPKDEXXNS KTLIGASPEL LVSRHGXQVI DATA SEQUENCE SNPLAGSRPR SDDPVEDKRR AEELLSSPKD LHEHAVVVEA VAAALRPYCH DATA SEQUENCE TLYVPEKPSV IHSEAXWHLS TEVKGELKNP NTSSLELAIA LHPTPAVCGT DATA SEQUENCE PXEEAREAIQ KIEPFDREFF TGXLGWSDLN GDGEWIVTIR CAEVQENTLR DATA SEQUENCE LYAGAGVVAE SKPEDELAET SAKFQTXLKA LGLN 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.606 176.600 0.010 0.000 1.382 9 E CA 0.000 56.402 56.400 0.003 0.000 0.976 9 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 10 L N 2.855 124.084 121.223 0.010 0.000 2.051 10 L HA -0.251 4.089 4.340 0.000 0.000 0.214 10 L C 2.230 179.118 176.870 0.029 0.000 1.076 10 L CA 3.012 57.863 54.840 0.018 0.000 0.758 10 L CB -0.592 41.474 42.059 0.012 0.000 0.890 10 L HN 0.716 nan 8.230 nan 0.000 0.433 11 S N -1.127 114.585 115.700 0.021 0.000 2.365 11 S HA -0.344 4.126 4.470 0.000 0.000 0.225 11 S C 1.977 176.621 174.600 0.074 0.000 1.039 11 S CA 1.575 59.796 58.200 0.035 0.000 1.033 11 S CB -0.895 62.311 63.200 0.011 0.000 0.887 11 S HN 0.709 nan 8.310 nan 0.000 0.447 12 E N 1.106 121.334 120.200 0.047 0.000 2.150 12 E HA -0.105 4.245 4.350 0.000 0.000 0.193 12 E C 2.018 178.648 176.600 0.049 0.000 0.985 12 E CA 1.049 57.474 56.400 0.042 0.000 0.814 12 E CB -0.059 29.650 29.700 0.015 0.000 0.752 12 E HN 0.477 nan 8.360 nan 0.000 0.466 13 K N 0.027 120.457 120.400 0.049 0.000 2.148 13 K HA -0.028 4.292 4.320 0.000 0.000 0.204 13 K C 2.052 178.701 176.600 0.082 0.000 1.050 13 K CA 1.052 57.369 56.287 0.051 0.000 0.942 13 K CB -0.421 32.104 32.500 0.042 0.000 0.724 13 K HN 0.328 nan 8.250 nan 0.000 0.446 14 L N -0.166 121.130 121.223 0.122 0.000 2.109 14 L HA -0.026 4.315 4.340 0.000 0.000 0.207 14 L C 2.411 179.441 176.870 0.266 0.000 1.086 14 L CA 0.831 55.789 54.840 0.196 0.000 0.760 14 L CB -0.536 41.647 42.059 0.206 0.000 0.910 14 L HN 0.181 nan 8.230 nan 0.000 0.437 15 L N 0.169 121.525 121.223 0.222 0.000 2.083 15 L HA -0.184 4.157 4.340 0.000 0.000 0.209 15 L C 2.319 179.150 176.870 -0.065 0.000 1.083 15 L CA 1.760 56.559 54.840 -0.069 0.000 0.752 15 L CB -0.370 41.629 42.059 -0.099 0.000 0.899 15 L HN 0.191 nan 8.230 nan 0.000 0.433 16 E N -0.763 119.442 120.200 0.008 0.000 2.152 16 E HA -0.167 4.184 4.350 0.000 0.000 0.192 16 E C 1.188 177.807 176.600 0.032 0.000 0.983 16 E CA 1.073 57.479 56.400 0.010 0.000 0.818 16 E CB -0.016 29.692 29.700 0.013 0.000 0.758 16 E HN 0.523 nan 8.360 nan 0.000 0.467 17 D N -0.241 120.195 120.400 0.060 0.000 2.349 17 D HA -0.073 4.567 4.640 0.000 0.000 0.224 17 D C -0.041 176.294 176.300 0.058 0.000 1.029 17 D CA 0.188 54.222 54.000 0.057 0.000 0.879 17 D CB -0.274 40.569 40.800 0.072 0.000 0.906 17 D HN 0.150 nan 8.370 nan 0.000 0.528 18 Y N 2.361 122.643 120.300 -0.030 0.000 2.712 18 Y HA 0.032 4.582 4.550 0.000 0.000 0.333 18 Y C 0.201 176.083 175.900 -0.029 0.000 1.225 18 Y CA 0.092 58.170 58.100 -0.036 0.000 1.499 18 Y CB 0.358 38.721 38.460 -0.161 0.000 1.288 18 Y HN -0.330 nan 8.280 nan 0.000 0.575 19 K N 3.767 123.633 120.400 -0.890 0.000 2.385 19 K HA 0.162 4.483 4.320 0.000 0.000 0.248 19 K C 0.673 176.662 176.600 -1.018 0.000 0.955 19 K CA -0.611 55.253 56.287 -0.705 0.000 0.816 19 K CB 1.706 34.014 32.500 -0.320 0.000 1.250 19 K HN 0.716 nan 8.250 nan 0.000 0.434 20 T N 1.114 115.366 114.554 -0.504 0.000 2.822 20 T HA -0.146 4.204 4.350 0.000 0.000 0.270 20 T C 1.240 175.852 174.700 -0.147 0.000 1.064 20 T CA 2.200 64.165 62.100 -0.225 0.000 1.131 20 T CB 0.222 69.049 68.868 -0.068 0.000 0.858 20 T HN 0.537 nan 8.240 nan 0.000 0.483 21 E N 0.785 120.884 120.200 -0.169 0.000 2.299 21 E HA 0.152 4.503 4.350 0.000 0.000 0.193 21 E C 1.243 177.799 176.600 -0.075 0.000 0.998 21 E CA 0.026 56.374 56.400 -0.087 0.000 0.851 21 E CB -0.204 29.454 29.700 -0.069 0.000 0.795 21 E HN 0.572 nan 8.360 nan 0.000 0.492 22 S N 1.724 117.337 115.700 -0.145 0.000 2.549 22 S HA 0.064 4.534 4.470 0.000 0.000 0.286 22 S C 1.266 175.911 174.600 0.075 0.000 1.314 22 S CA -0.027 58.143 58.200 -0.050 0.000 1.062 22 S CB 1.032 64.205 63.200 -0.046 0.000 0.865 22 S HN 0.391 nan 8.310 nan 0.000 0.498 23 S N 1.652 117.385 115.700 0.056 0.000 2.406 23 S HA 0.065 4.535 4.470 0.000 0.000 0.228 23 S C 0.213 174.886 174.600 0.122 0.000 1.020 23 S CA 0.336 58.581 58.200 0.074 0.000 0.965 23 S CB -0.269 62.954 63.200 0.039 0.000 0.798 23 S HN 0.554 nan 8.310 nan 0.000 0.488 24 L N 0.048 121.363 121.223 0.153 0.000 2.588 24 L HA 0.548 4.888 4.340 0.000 0.000 0.263 24 L C -1.911 175.119 176.870 0.267 0.000 0.935 24 L CA -0.690 54.262 54.840 0.187 0.000 0.891 24 L CB 1.536 43.641 42.059 0.077 0.000 1.318 24 L HN 0.128 nan 8.230 nan 0.000 0.409 25 F N 5.827 125.892 119.950 0.191 0.000 2.436 25 F HA 0.723 5.251 4.527 0.000 0.000 0.340 25 F C -1.540 174.392 175.800 0.220 0.000 1.113 25 F CA -0.535 57.545 58.000 0.133 0.000 1.022 25 F CB 1.307 40.288 39.000 -0.032 0.000 1.128 25 F HN 0.429 nan 8.300 nan 0.000 0.466 26 F N 5.679 125.241 119.950 -0.646 0.000 2.671 26 F HA 0.682 5.209 4.527 0.000 0.000 0.332 26 F C -1.352 174.127 175.800 -0.535 0.000 1.189 26 F CA -0.640 57.158 58.000 -0.337 0.000 0.988 26 F CB 1.055 39.971 39.000 -0.141 0.000 1.258 26 F HN 0.621 nan 8.300 nan 0.000 0.471 27 A N 4.426 126.834 122.820 -0.688 0.000 2.273 27 A HA 0.723 5.044 4.320 0.000 0.000 0.315 27 A C -0.587 176.699 177.584 -0.497 0.000 1.256 27 A CA 0.019 51.763 52.037 -0.488 0.000 0.851 27 A CB 0.628 19.500 19.000 -0.212 0.000 1.172 27 A HN 0.870 nan 8.150 nan 0.000 0.508 28 S N 2.113 117.585 115.700 -0.381 0.000 2.715 28 S HA 0.744 5.215 4.470 0.000 0.000 0.307 28 S C -2.514 171.915 174.600 -0.285 0.000 1.119 28 S CA -1.398 56.569 58.200 -0.389 0.000 0.937 28 S CB 1.484 64.713 63.200 0.048 0.000 1.150 28 S HN 0.203 nan 8.310 nan 0.000 0.521 29 P HA 0.054 nan 4.420 nan 0.000 0.230 29 P C 1.132 178.399 177.300 -0.055 0.000 1.158 29 P CA 1.141 64.136 63.100 -0.174 0.000 0.769 29 P CB -0.123 31.476 31.700 -0.168 0.000 0.807 30 T N -4.298 110.261 114.554 0.009 0.000 2.990 30 T HA 0.197 4.548 4.350 0.000 0.000 0.250 30 T C 0.688 175.408 174.700 0.034 0.000 1.041 30 T CA -0.287 61.847 62.100 0.058 0.000 1.010 30 T CB 0.090 69.049 68.868 0.151 0.000 1.003 30 T HN 0.155 nan 8.240 nan 0.000 0.499 31 R N -0.581 119.920 120.500 0.001 0.000 2.774 31 R HA 0.498 4.839 4.340 0.000 0.000 0.279 31 R C -2.115 174.118 176.300 -0.111 0.000 1.022 31 R CA -0.803 55.264 56.100 -0.054 0.000 0.855 31 R CB 0.556 30.806 30.300 -0.083 0.000 1.279 31 R HN -0.036 nan 8.270 nan 0.000 0.485 32 T N 1.845 116.307 114.554 -0.154 0.000 2.881 32 T HA 0.531 4.881 4.350 0.000 0.000 0.291 32 T C -0.378 174.167 174.700 -0.259 0.000 0.990 32 T CA -0.566 61.390 62.100 -0.240 0.000 0.976 32 T CB 0.892 69.654 68.868 -0.176 0.000 0.970 32 T HN 0.369 nan 8.240 nan 0.000 0.438 33 I N 3.502 123.872 120.570 -0.333 0.000 2.433 33 I HA 0.512 4.682 4.170 0.000 0.000 0.292 33 I C -1.050 174.924 176.117 -0.238 0.000 1.001 33 I CA -1.088 60.045 61.300 -0.279 0.000 1.119 33 I CB 1.891 39.705 38.000 -0.309 0.000 1.289 33 I HN 0.315 nan 8.210 nan 0.000 0.438 34 L N 6.814 127.978 121.223 -0.098 0.000 2.342 34 L HA 0.765 5.106 4.340 0.000 0.000 0.276 34 L C -0.500 176.336 176.870 -0.057 0.000 0.997 34 L CA -0.233 54.627 54.840 0.034 0.000 0.838 34 L CB 1.289 43.435 42.059 0.145 0.000 1.224 34 L HN 0.670 nan 8.230 nan 0.000 0.416 35 A N 4.687 127.477 122.820 -0.049 0.000 2.303 35 A HA 0.830 5.151 4.320 0.000 0.000 0.320 35 A C -0.742 176.749 177.584 -0.155 0.000 1.192 35 A CA -0.589 51.372 52.037 -0.127 0.000 0.821 35 A CB 0.775 19.728 19.000 -0.078 0.000 1.188 35 A HN 0.618 nan 8.150 nan 0.000 0.492 36 E N 1.244 121.247 120.200 -0.329 0.000 2.199 36 E HA 0.594 4.944 4.350 0.000 0.000 0.269 36 E C 0.524 177.023 176.600 -0.169 0.000 0.899 36 E CA 0.410 56.624 56.400 -0.310 0.000 0.772 36 E CB 1.863 31.203 29.700 -0.600 0.000 1.155 36 E HN 1.571 nan 8.360 nan 0.000 0.408 37 G N 2.740 111.506 108.800 -0.056 0.000 2.698 37 G HA2 -0.262 3.698 3.960 0.000 0.000 0.233 37 G HA3 -0.262 3.698 3.960 0.000 0.000 0.233 37 G C -0.725 174.207 174.900 0.054 0.000 1.352 37 G CA -0.427 44.686 45.100 0.022 0.000 0.879 37 G HN 0.539 nan 8.290 nan 0.000 0.567 38 E N -0.974 119.284 120.200 0.097 0.000 2.768 38 E HA 0.344 4.694 4.350 0.000 0.000 0.290 38 E C 0.374 177.074 176.600 0.167 0.000 1.100 38 E CA -0.550 55.920 56.400 0.118 0.000 0.768 38 E CB 0.813 30.562 29.700 0.081 0.000 1.501 38 E HN 0.486 nan 8.360 nan 0.000 0.384 39 F N 2.123 122.096 119.950 0.038 0.000 2.102 39 F HA -0.056 4.471 4.527 0.000 0.000 0.298 39 F C 0.533 176.355 175.800 0.037 0.000 1.105 39 F CA 1.291 59.315 58.000 0.040 0.000 1.239 39 F CB 0.658 39.684 39.000 0.042 0.000 0.991 39 F HN 0.121 nan 8.300 nan 0.000 0.474 40 T N 0.153 114.816 114.554 0.182 0.000 2.971 40 T HA 0.342 4.692 4.350 0.000 0.000 0.304 40 T C -0.921 173.842 174.700 0.105 0.000 1.038 40 T CA -0.628 61.515 62.100 0.071 0.000 1.007 40 T CB 1.826 70.759 68.868 0.107 0.000 1.055 40 T HN -0.145 nan 8.240 nan 0.000 0.451 41 T N 2.184 116.784 114.554 0.077 0.000 2.823 41 T HA 0.677 5.027 4.350 0.000 0.000 0.279 41 T C -0.892 173.875 174.700 0.110 0.000 0.998 41 T CA -0.584 61.576 62.100 0.101 0.000 0.994 41 T CB 1.719 70.641 68.868 0.089 0.000 0.960 41 T HN 0.433 nan 8.240 nan 0.000 0.448 42 V N 3.713 123.721 119.914 0.157 0.000 2.531 42 V HA 0.677 4.797 4.120 0.000 0.000 0.301 42 V C -0.959 175.300 176.094 0.275 0.000 1.034 42 V CA -0.676 61.741 62.300 0.195 0.000 0.865 42 V CB 1.606 33.534 31.823 0.174 0.000 0.995 42 V HN 0.783 nan 8.190 nan 0.000 0.424 43 K N 4.231 124.764 120.400 0.221 0.000 2.378 43 K HA 0.633 4.953 4.320 0.000 0.000 0.252 43 K C -1.761 174.958 176.600 0.198 0.000 0.931 43 K CA -0.728 55.653 56.287 0.156 0.000 0.794 43 K CB 1.608 34.172 32.500 0.106 0.000 1.181 43 K HN 0.935 nan 8.250 nan 0.000 0.425 44 H N 0.393 119.413 119.070 -0.083 0.000 2.996 44 H HA 0.198 4.754 4.556 0.000 0.000 0.368 44 H C -0.320 174.950 175.328 -0.097 0.000 1.185 44 H CA -0.420 55.602 56.048 -0.043 0.000 1.160 44 H CB 1.564 31.349 29.762 0.039 0.000 1.820 44 H HN 0.758 nan 8.280 nan 0.000 0.547 45 H N 1.776 120.547 119.070 -0.498 0.000 2.512 45 H HA 0.199 4.755 4.556 0.000 0.000 0.279 45 H C -0.118 175.009 175.328 -0.335 0.000 0.999 45 H CA 0.781 56.617 56.048 -0.353 0.000 1.283 45 H CB 0.706 30.296 29.762 -0.286 0.000 1.421 45 H HN 0.560 nan 8.280 nan 0.000 0.554 46 E N 0.402 120.392 120.200 -0.351 0.000 2.279 46 E HA 0.100 4.450 4.350 0.000 0.000 0.252 46 E C 0.446 177.043 176.600 -0.004 0.000 0.894 46 E CA -0.296 56.017 56.400 -0.145 0.000 0.785 46 E CB 0.790 30.451 29.700 -0.064 0.000 1.237 46 E HN 0.452 nan 8.360 nan 0.000 0.418 47 I N 3.900 124.435 120.570 -0.059 0.000 2.335 47 I HA -0.227 3.943 4.170 0.000 0.000 0.251 47 I C 1.452 177.622 176.117 0.087 0.000 1.129 47 I CA 1.195 62.487 61.300 -0.013 0.000 1.402 47 I CB 0.320 38.273 38.000 -0.079 0.000 1.069 47 I HN 0.603 nan 8.210 nan 0.000 0.424 48 E N 0.458 120.695 120.200 0.061 0.000 2.204 48 E HA -0.137 4.214 4.350 0.000 0.000 0.194 48 E C 1.891 178.558 176.600 0.111 0.000 0.989 48 E CA 1.395 57.835 56.400 0.066 0.000 0.824 48 E CB -0.062 29.659 29.700 0.035 0.000 0.756 48 E HN 0.590 nan 8.360 nan 0.000 0.477 49 S N -0.442 115.372 115.700 0.190 0.000 2.582 49 S HA 0.093 4.563 4.470 0.000 0.000 0.234 49 S C 1.277 176.000 174.600 0.205 0.000 0.961 49 S CA -0.554 57.769 58.200 0.204 0.000 0.953 49 S CB -0.206 63.150 63.200 0.259 0.000 0.800 49 S HN 0.047 nan 8.310 nan 0.000 0.471 50 F N 3.613 123.594 119.950 0.051 0.000 2.186 50 F HA 0.224 4.752 4.527 0.001 0.000 0.299 50 F C -1.250 174.477 175.800 -0.120 0.000 1.090 50 F CA 0.184 58.138 58.000 -0.077 0.000 1.307 50 F CB -1.287 37.720 39.000 0.012 0.000 1.019 50 F HN 0.169 nan 8.300 nan 0.000 0.489 51 P HA -0.191 nan 4.420 nan 0.000 0.215 51 P C 1.395 178.582 177.300 -0.188 0.000 1.153 51 P CA 2.048 65.027 63.100 -0.201 0.000 0.853 51 P CB -0.068 31.562 31.700 -0.116 0.000 0.788 52 E N -1.139 118.990 120.200 -0.119 0.000 2.150 52 E HA -0.146 4.204 4.350 0.000 0.000 0.193 52 E C 1.851 178.374 176.600 -0.128 0.000 0.985 52 E CA 0.549 56.892 56.400 -0.096 0.000 0.814 52 E CB -0.566 29.105 29.700 -0.048 0.000 0.752 52 E HN 0.109 nan 8.360 nan 0.000 0.466 53 L N 0.658 121.770 121.223 -0.185 0.000 2.005 53 L HA -0.146 4.194 4.340 0.000 0.000 0.207 53 L C 2.214 178.956 176.870 -0.213 0.000 1.072 53 L CA 1.424 56.147 54.840 -0.196 0.000 0.744 53 L CB -0.527 41.364 42.059 -0.281 0.000 0.895 53 L HN -0.083 nan 8.230 nan 0.000 0.433 54 V N -0.005 119.691 119.914 -0.362 0.000 2.332 54 V HA -0.312 3.808 4.120 0.000 0.000 0.248 54 V C 2.743 178.730 176.094 -0.178 0.000 1.055 54 V CA 1.854 63.945 62.300 -0.349 0.000 1.038 54 V CB -0.712 30.785 31.823 -0.543 0.000 0.651 54 V HN 0.563 nan 8.190 nan 0.000 0.450 55 Q N -0.375 119.335 119.800 -0.149 0.000 2.119 55 Q HA -0.114 4.227 4.340 0.000 0.000 0.201 55 Q C 2.456 178.423 176.000 -0.055 0.000 0.972 55 Q CA 1.793 57.547 55.803 -0.083 0.000 0.847 55 Q CB -0.743 27.955 28.738 -0.068 0.000 0.903 55 Q HN 0.660 nan 8.270 nan 0.000 0.433 56 A N 0.396 123.180 122.820 -0.060 0.000 1.908 56 A HA -0.145 4.175 4.320 0.000 0.000 0.218 56 A C 2.437 180.014 177.584 -0.012 0.000 1.181 56 A CA 1.706 53.724 52.037 -0.032 0.000 0.627 56 A CB -0.685 18.294 19.000 -0.035 0.000 0.818 56 A HN 0.220 nan 8.150 nan 0.000 0.445 57 V N -0.192 119.710 119.914 -0.020 0.000 2.453 57 V HA -0.179 3.942 4.120 0.000 0.000 0.247 57 V C 2.513 178.634 176.094 0.044 0.000 1.048 57 V CA 1.664 63.974 62.300 0.017 0.000 1.049 57 V CB -0.553 31.272 31.823 0.003 0.000 0.672 57 V HN 0.559 nan 8.190 nan 0.000 0.457 58 L N -0.754 120.477 121.223 0.012 0.000 2.093 58 L HA -0.150 4.190 4.340 0.000 0.000 0.208 58 L C 2.740 179.623 176.870 0.022 0.000 1.085 58 L CA 1.521 56.373 54.840 0.019 0.000 0.755 58 L CB -0.523 41.535 42.059 -0.001 0.000 0.904 58 L HN 0.210 nan 8.230 nan 0.000 0.435 59 R N 0.028 120.536 120.500 0.014 0.000 2.081 59 R HA -0.208 4.133 4.340 0.000 0.000 0.235 59 R C 2.111 178.431 176.300 0.034 0.000 1.131 59 R CA 1.959 58.068 56.100 0.015 0.000 0.960 59 R CB -0.347 29.957 30.300 0.008 0.000 0.856 59 R HN 0.364 nan 8.270 nan 0.000 0.436 60 N N 0.318 119.048 118.700 0.052 0.000 2.120 60 N HA -0.144 4.596 4.740 0.000 0.000 0.188 60 N C 1.586 177.177 175.510 0.135 0.000 1.024 60 N CA 1.513 54.611 53.050 0.080 0.000 0.852 60 N CB -0.071 38.463 38.487 0.077 0.000 1.003 60 N HN 0.211 nan 8.380 nan 0.000 0.424 61 A N 0.653 123.570 122.820 0.160 0.000 1.933 61 A HA -0.168 4.152 4.320 0.000 0.000 0.218 61 A C 2.128 179.717 177.584 0.008 0.000 1.175 61 A CA 1.465 53.600 52.037 0.164 0.000 0.628 61 A CB -0.696 18.349 19.000 0.076 0.000 0.814 61 A HN 0.450 nan 8.150 nan 0.000 0.444 62 K N -0.384 120.020 120.400 0.007 0.000 1.985 62 K HA -0.223 4.098 4.320 0.000 0.000 0.210 62 K C 2.185 178.791 176.600 0.009 0.000 1.047 62 K CA 1.787 58.067 56.287 -0.012 0.000 0.932 62 K CB -0.299 32.198 32.500 -0.005 0.000 0.716 62 K HN 0.558 nan 8.250 nan 0.000 0.439 63 Q N -0.314 119.504 119.800 0.031 0.000 2.197 63 Q HA -0.172 4.168 4.340 0.000 0.000 0.207 63 Q C 1.911 177.941 176.000 0.051 0.000 0.984 63 Q CA 1.779 57.604 55.803 0.036 0.000 0.869 63 Q CB -0.152 28.610 28.738 0.040 0.000 0.906 63 Q HN 0.472 nan 8.270 nan 0.000 0.426 64 A N -0.668 122.203 122.820 0.084 0.000 2.067 64 A HA 0.214 4.535 4.320 0.000 0.000 0.217 64 A C 1.292 178.913 177.584 0.062 0.000 1.156 64 A CA 1.307 53.414 52.037 0.117 0.000 0.683 64 A CB 0.091 19.257 19.000 0.276 0.000 0.808 64 A HN 0.466 nan 8.150 nan 0.000 0.455 65 G N -0.386 108.414 108.800 -0.000 0.000 3.431 65 G HA2 0.262 4.222 3.960 0.000 0.000 0.152 65 G HA3 0.262 4.222 3.960 0.000 0.000 0.152 65 G C -0.350 174.517 174.900 -0.055 0.000 1.206 65 G CA 0.099 45.175 45.100 -0.040 0.000 1.462 65 G HN 0.618 nan 8.290 nan 0.000 0.729 66 N N 2.040 120.685 118.700 -0.092 0.000 2.525 66 N HA 0.486 5.226 4.740 0.000 0.000 0.271 66 N C -1.437 174.039 175.510 -0.057 0.000 1.194 66 N CA -0.994 52.013 53.050 -0.073 0.000 0.964 66 N CB 2.226 40.662 38.487 -0.086 0.000 1.126 66 N HN 0.058 nan 8.380 nan 0.000 0.452 67 P HA -0.004 nan 4.420 nan 0.000 0.218 67 P C -0.339 176.947 177.300 -0.023 0.000 1.152 67 P CA 1.228 64.312 63.100 -0.026 0.000 0.826 67 P CB 0.146 31.833 31.700 -0.021 0.000 0.790 68 N N -0.883 117.801 118.700 -0.026 0.000 2.723 68 N HA 0.200 4.940 4.740 0.000 0.000 0.290 68 N C -2.686 172.813 175.510 -0.017 0.000 1.882 68 N CA -2.362 50.679 53.050 -0.014 0.000 0.851 68 N CB 0.203 38.686 38.487 -0.006 0.000 1.234 68 N HN -0.081 nan 8.380 nan 0.000 0.491 69 P HA 0.151 nan 4.420 nan 0.000 0.270 69 P C -0.031 177.267 177.300 -0.003 0.000 1.227 69 P CA -0.111 62.962 63.100 -0.046 0.000 0.788 69 P CB 1.061 32.719 31.700 -0.071 0.000 0.926 70 I N -1.985 118.585 120.570 0.001 0.000 3.002 70 I HA 0.701 4.871 4.170 0.000 0.000 0.310 70 I C -0.404 175.745 176.117 0.054 0.000 1.087 70 I CA -1.565 59.769 61.300 0.056 0.000 1.017 70 I CB 2.253 40.284 38.000 0.053 0.000 1.226 70 I HN 0.101 nan 8.210 nan 0.000 0.443 71 V N 1.884 121.849 119.914 0.086 0.000 2.815 71 V HA 0.905 5.025 4.120 0.000 0.000 0.314 71 V C -0.077 176.068 176.094 0.085 0.000 1.064 71 V CA -0.620 61.732 62.300 0.088 0.000 0.952 71 V CB 1.198 33.078 31.823 0.096 0.000 1.020 71 V HN 0.895 nan 8.190 nan 0.000 0.439 72 V N -0.358 119.599 119.914 0.073 0.000 3.078 72 V HA 1.144 5.264 4.120 0.000 0.000 0.311 72 V C 0.082 176.225 176.094 0.083 0.000 1.138 72 V CA 0.280 62.589 62.300 0.016 0.000 1.007 72 V CB 1.197 33.007 31.823 -0.021 0.000 1.045 72 V HN 2.266 nan 8.190 nan 0.000 0.432 73 G N 0.749 109.585 108.800 0.060 0.000 2.350 73 G HA2 0.675 4.635 3.960 0.000 0.000 0.276 73 G HA3 0.675 4.635 3.960 0.000 0.000 0.276 73 G C -0.912 174.061 174.900 0.121 0.000 1.313 73 G CA 0.108 45.264 45.100 0.093 0.000 0.903 73 G HN 2.190 nan 8.290 nan 0.000 0.490 74 A N -0.894 121.978 122.820 0.087 0.000 2.371 74 A HA 0.842 5.163 4.320 0.000 0.000 0.311 74 A C -1.215 176.508 177.584 0.231 0.000 1.068 74 A CA -0.479 51.608 52.037 0.083 0.000 0.744 74 A CB 1.626 20.544 19.000 -0.137 0.000 1.239 74 A HN 1.124 nan 8.150 nan 0.000 0.435 75 L N 2.254 123.609 121.223 0.219 0.000 2.330 75 L HA 0.666 5.006 4.340 0.000 0.000 0.271 75 L C -2.225 174.754 176.870 0.182 0.000 1.013 75 L CA -1.937 53.008 54.840 0.176 0.000 0.816 75 L CB 1.136 43.164 42.059 -0.051 0.000 1.287 75 L HN 0.424 nan 8.230 nan 0.000 0.435 76 P HA 0.126 nan 4.420 nan 0.000 0.274 76 P C 0.664 178.012 177.300 0.079 0.000 1.246 76 P CA -0.389 62.635 63.100 -0.126 0.000 0.795 76 P CB 0.501 32.013 31.700 -0.313 0.000 1.006 77 F N 0.854 120.786 119.950 -0.030 0.000 2.065 77 F HA -0.168 4.359 4.527 0.000 0.000 0.298 77 F C 0.788 176.585 175.800 -0.004 0.000 1.112 77 F CA 1.509 59.529 58.000 0.033 0.000 1.212 77 F CB -0.490 38.474 39.000 -0.060 0.000 0.975 77 F HN 0.191 nan 8.300 nan 0.000 0.476 78 D N 0.783 121.052 120.400 -0.218 0.000 2.344 78 D HA 0.052 4.692 4.640 0.000 0.000 0.253 78 D C 1.128 177.265 176.300 -0.270 0.000 1.255 78 D CA 0.088 53.859 54.000 -0.382 0.000 0.894 78 D CB 0.551 41.254 40.800 -0.162 0.000 1.067 78 D HN 0.291 nan 8.370 nan 0.000 0.492 79 R N 2.478 122.788 120.500 -0.318 0.000 2.293 79 R HA -0.057 4.283 4.340 0.000 0.000 0.219 79 R C 1.608 177.790 176.300 -0.198 0.000 1.091 79 R CA 0.884 56.859 56.100 -0.209 0.000 1.004 79 R CB 0.245 30.410 30.300 -0.226 0.000 0.865 79 R HN 0.366 nan 8.270 nan 0.000 0.469 80 R N 0.335 120.708 120.500 -0.210 0.000 2.276 80 R HA 0.053 4.393 4.340 0.000 0.000 0.196 80 R C 0.281 176.431 176.300 -0.250 0.000 0.961 80 R CA 0.362 56.336 56.100 -0.210 0.000 1.024 80 R CB 0.199 30.395 30.300 -0.174 0.000 0.940 80 R HN 0.072 nan 8.270 nan 0.000 0.480 81 K N 1.588 121.855 120.400 -0.221 0.000 2.276 81 K HA 0.023 4.343 4.320 0.000 0.000 0.259 81 K C 0.031 176.473 176.600 -0.264 0.000 1.001 81 K CA -0.043 56.110 56.287 -0.223 0.000 0.927 81 K CB 0.466 32.857 32.500 -0.183 0.000 0.969 81 K HN 0.048 nan 8.250 nan 0.000 0.490 82 E N 1.228 121.281 120.200 -0.245 0.000 2.442 82 E HA -0.008 4.342 4.350 0.000 0.000 0.262 82 E C -0.163 176.313 176.600 -0.207 0.000 1.004 82 E CA 0.047 56.313 56.400 -0.224 0.000 0.928 82 E CB 0.588 30.215 29.700 -0.121 0.000 0.937 82 E HN 0.313 nan 8.360 nan 0.000 0.446 83 V N 0.071 119.802 119.914 -0.305 0.000 2.815 83 V HA 0.596 4.717 4.120 0.000 0.000 0.314 83 V C -0.527 175.352 176.094 -0.358 0.000 1.064 83 V CA -0.881 61.195 62.300 -0.374 0.000 0.952 83 V CB 1.847 33.291 31.823 -0.631 0.000 1.020 83 V HN 0.750 nan 8.190 nan 0.000 0.439 84 Q N 2.243 121.986 119.800 -0.095 0.000 2.309 84 Q HA 0.772 5.112 4.340 0.000 0.000 0.273 84 Q C -2.244 173.918 176.000 0.269 0.000 1.040 84 Q CA -0.683 55.194 55.803 0.122 0.000 0.834 84 Q CB 2.631 31.440 28.738 0.117 0.000 1.345 84 Q HN 0.953 nan 8.270 nan 0.000 0.414 85 L N 3.029 124.468 121.223 0.359 0.000 2.409 85 L HA 0.666 5.006 4.340 0.000 0.000 0.255 85 L C -0.980 176.008 176.870 0.196 0.000 1.027 85 L CA -1.038 53.970 54.840 0.280 0.000 0.834 85 L CB 2.509 44.757 42.059 0.315 0.000 1.426 85 L HN 0.627 nan 8.230 nan 0.000 0.411 86 I N 0.864 121.523 120.570 0.149 0.000 2.545 86 I HA 0.353 4.524 4.170 0.000 0.000 0.292 86 I C -0.737 175.447 176.117 0.110 0.000 1.040 86 I CA -0.851 60.523 61.300 0.122 0.000 1.068 86 I CB 2.449 40.510 38.000 0.101 0.000 1.251 86 I HN 0.111 nan 8.210 nan 0.000 0.424 87 V N 8.310 128.303 119.914 0.130 0.000 2.385 87 V HA 0.261 4.382 4.120 0.000 0.000 0.269 87 V C -1.953 174.225 176.094 0.139 0.000 1.043 87 V CA -1.452 60.925 62.300 0.129 0.000 0.906 87 V CB 0.736 32.674 31.823 0.192 0.000 0.995 87 V HN 0.537 nan 8.190 nan 0.000 0.467 88 P HA 0.238 nan 4.420 nan 0.000 0.276 88 P C 0.597 177.934 177.300 0.062 0.000 1.252 88 P CA -0.296 62.832 63.100 0.048 0.000 0.802 88 P CB 1.538 33.221 31.700 -0.028 0.000 1.035 89 E N 0.065 120.323 120.200 0.097 0.000 2.072 89 E HA -0.094 4.256 4.350 0.000 0.000 0.191 89 E C -0.012 176.702 176.600 0.191 0.000 0.985 89 E CA 1.362 57.864 56.400 0.171 0.000 0.801 89 E CB -0.053 29.791 29.700 0.240 0.000 0.750 89 E HN 0.591 nan 8.360 nan 0.000 0.452 90 Y N -2.104 118.188 120.300 -0.013 0.000 2.592 90 Y HA 0.467 5.018 4.550 0.000 0.000 0.334 90 Y C -1.031 174.851 175.900 -0.031 0.000 1.136 90 Y CA -1.368 56.707 58.100 -0.042 0.000 1.042 90 Y CB 1.062 39.500 38.460 -0.036 0.000 1.325 90 Y HN -0.189 nan 8.280 nan 0.000 0.457 91 S N 2.093 117.795 115.700 0.004 0.000 2.526 91 S HA 0.792 5.263 4.470 0.000 0.000 0.293 91 S C -1.256 173.352 174.600 0.013 0.000 1.092 91 S CA -1.074 57.075 58.200 -0.084 0.000 0.980 91 S CB 1.965 65.099 63.200 -0.110 0.000 1.048 91 S HN 0.833 nan 8.310 nan 0.000 0.483 92 R N 1.513 122.007 120.500 -0.010 0.000 2.460 92 R HA 0.712 5.053 4.340 0.000 0.000 0.303 92 R C -0.893 175.367 176.300 -0.067 0.000 0.968 92 R CA -0.455 55.651 56.100 0.008 0.000 0.889 92 R CB 1.430 31.765 30.300 0.058 0.000 1.123 92 R HN 0.690 nan 8.270 nan 0.000 0.455 93 I N 1.758 122.278 120.570 -0.084 0.000 2.499 93 I HA 0.327 4.497 4.170 0.000 0.000 0.288 93 I C -0.146 175.913 176.117 -0.096 0.000 1.048 93 I CA -0.485 60.730 61.300 -0.141 0.000 1.062 93 I CB 2.015 39.891 38.000 -0.207 0.000 1.238 93 I HN 0.734 nan 8.210 nan 0.000 0.426 94 S N 4.171 119.816 115.700 -0.092 0.000 2.841 94 S HA 0.587 5.057 4.470 0.000 0.000 0.318 94 S C -0.327 174.236 174.600 -0.062 0.000 1.127 94 S CA -0.953 57.213 58.200 -0.058 0.000 0.883 94 S CB 1.778 64.958 63.200 -0.032 0.000 1.271 94 S HN 0.451 nan 8.310 nan 0.000 0.567 95 E N 1.138 121.315 120.200 -0.040 0.000 2.416 95 E HA 0.136 4.487 4.350 0.000 0.000 0.254 95 E C 0.438 177.011 176.600 -0.046 0.000 1.241 95 E CA -0.237 56.142 56.400 -0.034 0.000 0.969 95 E CB 0.201 29.888 29.700 -0.022 0.000 0.999 95 E HN 0.710 nan 8.360 nan 0.000 0.481 96 R N 0.381 120.854 120.500 -0.045 0.000 2.734 96 R HA 0.105 4.445 4.340 0.000 0.000 0.266 96 R C 0.157 176.426 176.300 -0.052 0.000 1.044 96 R CA -0.339 55.724 56.100 -0.062 0.000 1.128 96 R CB 0.081 30.342 30.300 -0.064 0.000 1.010 96 R HN 0.340 nan 8.270 nan 0.000 0.461 97 L N 1.965 123.155 121.223 -0.056 0.000 2.514 97 L HA -0.038 4.302 4.340 0.000 0.000 0.280 97 L C 0.431 177.272 176.870 -0.047 0.000 1.223 97 L CA 0.494 55.314 54.840 -0.034 0.000 0.864 97 L CB 0.521 42.568 42.059 -0.020 0.000 1.118 97 L HN 0.709 nan 8.230 nan 0.000 0.494 98 Q N 4.874 124.652 119.800 -0.037 0.000 3.048 98 Q HA 0.357 4.697 4.340 0.000 0.000 0.337 98 Q C -0.900 175.074 176.000 -0.042 0.000 0.845 98 Q CA -0.159 55.619 55.803 -0.042 0.000 0.942 98 Q CB 1.039 29.759 28.738 -0.031 0.000 1.454 98 Q HN 0.560 nan 8.270 nan 0.000 0.392 99 L N 0.698 121.888 121.223 -0.054 0.000 2.380 99 L HA 0.455 4.796 4.340 0.000 0.000 0.273 99 L C 0.681 177.514 176.870 -0.062 0.000 1.138 99 L CA 0.422 55.229 54.840 -0.054 0.000 0.832 99 L CB 0.550 42.570 42.059 -0.066 0.000 1.124 99 L HN 0.454 nan 8.230 nan 0.000 0.454 111 L N 0.483 121.635 121.223 -0.118 0.000 2.325 111 L HA 1.002 5.342 4.340 0.000 0.000 0.279 111 L C 1.279 177.820 176.870 -0.547 0.000 1.054 111 L CA -0.213 54.421 54.840 -0.344 0.000 0.804 111 L CB 0.834 42.623 42.059 -0.449 0.000 1.200 111 L HN 1.532 nan 8.230 nan 0.000 0.436 112 T N -0.733 113.501 114.554 -0.532 0.000 2.922 112 T HA 0.795 5.145 4.350 0.000 0.000 0.285 112 T C -0.556 173.722 174.700 -0.703 0.000 1.005 112 T CA -0.302 61.546 62.100 -0.419 0.000 1.061 112 T CB 0.676 69.426 68.868 -0.197 0.000 1.007 112 T HN 0.578 nan 8.240 nan 0.000 0.502 113 F N 0.096 120.021 119.950 -0.042 0.000 2.556 113 F HA 0.572 5.099 4.527 0.000 0.000 0.314 113 F C 0.439 176.206 175.800 -0.054 0.000 1.106 113 F CA -1.047 56.923 58.000 -0.051 0.000 0.911 113 F CB 2.243 41.206 39.000 -0.060 0.000 1.190 113 F HN 0.758 nan 8.300 nan 0.000 0.448 117 P HA 0.384 nan 4.420 nan 0.000 0.271 117 P C -0.739 176.507 177.300 -0.090 0.000 1.233 117 P CA -0.368 62.668 63.100 -0.108 0.000 0.764 117 P CB 0.555 32.257 31.700 0.003 0.000 0.825 118 V N 6.926 126.744 119.914 -0.159 0.000 2.325 118 V HA 0.299 4.419 4.120 0.000 0.000 0.280 118 V C -1.746 174.267 176.094 -0.136 0.000 1.016 118 V CA -1.820 60.408 62.300 -0.120 0.000 0.818 118 V CB 1.373 33.097 31.823 -0.165 0.000 1.019 118 V HN 0.519 nan 8.190 nan 0.000 0.434 119 P HA 0.258 nan 4.420 nan 0.000 0.289 119 P C -0.684 176.652 177.300 0.059 0.000 1.299 119 P CA -0.285 62.868 63.100 0.089 0.000 0.766 119 P CB 0.854 32.663 31.700 0.181 0.000 1.226 120 D N -2.433 118.028 120.400 0.100 0.000 2.398 120 D HA -0.005 4.635 4.640 0.000 0.000 0.247 120 D C 1.309 177.731 176.300 0.203 0.000 1.227 120 D CA -0.134 53.959 54.000 0.154 0.000 0.980 120 D CB -0.306 40.574 40.800 0.133 0.000 1.106 120 D HN 0.372 nan 8.370 nan 0.000 0.493 121 H N -0.739 118.377 119.070 0.077 0.000 2.489 121 H HA -0.078 4.479 4.556 0.000 0.000 0.293 121 H C 1.101 176.523 175.328 0.156 0.000 1.066 121 H CA 0.969 57.087 56.048 0.116 0.000 1.305 121 H CB 0.492 30.299 29.762 0.076 0.000 1.386 121 H HN 0.488 nan 8.280 nan 0.000 0.551 122 E N 0.648 120.985 120.200 0.229 0.000 2.030 122 E HA -0.070 4.280 4.350 0.000 0.000 0.189 122 E C 2.625 179.305 176.600 0.135 0.000 0.974 122 E CA 0.350 56.842 56.400 0.153 0.000 0.807 122 E CB -0.600 29.163 29.700 0.105 0.000 0.771 122 E HN 0.157 nan 8.360 nan 0.000 0.451 123 V N 1.658 121.651 119.914 0.133 0.000 2.313 123 V HA -0.258 3.862 4.120 0.000 0.000 0.253 123 V C 1.674 177.852 176.094 0.140 0.000 1.070 123 V CA 1.658 64.029 62.300 0.119 0.000 1.057 123 V CB -0.723 31.174 31.823 0.124 0.000 0.653 123 V HN 0.208 nan 8.190 nan 0.000 0.450 127 G N 1.440 110.189 108.800 -0.085 0.000 2.476 127 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 127 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 127 G C 1.783 176.585 174.900 -0.163 0.000 1.164 127 G CA 2.298 47.330 45.100 -0.114 0.000 0.768 127 G HN 0.718 nan 8.290 nan 0.000 0.560 128 V N 0.742 120.492 119.914 -0.273 0.000 2.407 128 V HA -0.172 3.948 4.120 0.000 0.000 0.248 128 V C 2.747 178.774 176.094 -0.112 0.000 1.055 128 V CA 2.173 64.336 62.300 -0.228 0.000 1.049 128 V CB -0.485 31.164 31.823 -0.290 0.000 0.662 128 V HN 0.351 nan 8.190 nan 0.000 0.455 129 K N -0.013 120.336 120.400 -0.086 0.000 2.009 129 K HA -0.273 4.048 4.320 0.000 0.000 0.210 129 K C 2.322 178.899 176.600 -0.038 0.000 1.049 129 K CA 2.012 58.271 56.287 -0.046 0.000 0.929 129 K CB -0.313 32.169 32.500 -0.030 0.000 0.714 129 K HN 0.516 nan 8.250 nan 0.000 0.440 130 Q N -0.365 119.411 119.800 -0.041 0.000 2.152 130 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 130 Q C 2.172 178.154 176.000 -0.030 0.000 0.985 130 Q CA 1.586 57.370 55.803 -0.030 0.000 0.863 130 Q CB -0.293 28.428 28.738 -0.029 0.000 0.904 130 Q HN 0.501 nan 8.270 nan 0.000 0.422 131 G N 0.645 109.420 108.800 -0.043 0.000 2.414 131 G HA2 -0.207 3.753 3.960 0.000 0.000 0.215 131 G HA3 -0.207 3.753 3.960 0.000 0.000 0.215 131 G C 1.377 176.264 174.900 -0.021 0.000 1.188 131 G CA 0.610 45.690 45.100 -0.033 0.000 0.783 131 G HN 0.231 nan 8.290 nan 0.000 0.537 132 I N 0.773 121.329 120.570 -0.024 0.000 2.118 132 I HA -0.228 3.942 4.170 0.000 0.000 0.241 132 I C 2.663 178.774 176.117 -0.009 0.000 1.070 132 I CA 1.797 63.089 61.300 -0.013 0.000 1.327 132 I CB -0.289 37.703 38.000 -0.013 0.000 1.034 132 I HN 0.365 nan 8.210 nan 0.000 0.405 133 E N 1.583 121.776 120.200 -0.012 0.000 2.086 133 E HA -0.320 4.030 4.350 0.000 0.000 0.205 133 E C 2.081 178.677 176.600 -0.007 0.000 1.027 133 E CA 1.966 58.361 56.400 -0.009 0.000 0.830 133 E CB -0.027 29.667 29.700 -0.010 0.000 0.751 133 E HN 0.418 nan 8.360 nan 0.000 0.456 134 K N -0.220 120.175 120.400 -0.008 0.000 2.288 134 K HA -0.024 4.297 4.320 0.000 0.000 0.201 134 K C 2.125 178.723 176.600 -0.004 0.000 1.048 134 K CA 1.068 57.351 56.287 -0.007 0.000 0.956 134 K CB 0.027 32.522 32.500 -0.008 0.000 0.746 134 K HN 0.302 nan 8.250 nan 0.000 0.461 135 I N 0.938 121.506 120.570 -0.002 0.000 2.406 135 I HA -0.193 3.977 4.170 0.000 0.000 0.249 135 I C 1.944 178.062 176.117 0.002 0.000 1.122 135 I CA 1.004 62.305 61.300 0.002 0.000 1.431 135 I CB -0.089 37.915 38.000 0.007 0.000 1.087 135 I HN 0.049 nan 8.210 nan 0.000 0.424 136 K N 0.683 121.083 120.400 -0.000 0.000 2.283 136 K HA -0.141 4.180 4.320 0.000 0.000 0.202 136 K C 0.828 177.427 176.600 -0.002 0.000 1.048 136 K CA 1.051 57.337 56.287 -0.001 0.000 0.948 136 K CB -0.070 32.429 32.500 -0.002 0.000 0.742 136 K HN 0.270 nan 8.250 nan 0.000 0.458 137 D N -0.460 119.938 120.400 -0.002 0.000 2.340 137 D HA 0.038 4.678 4.640 0.000 0.000 0.220 137 D C 0.918 177.216 176.300 -0.002 0.000 1.039 137 D CA 0.549 54.547 54.000 -0.003 0.000 0.866 137 D CB 0.490 41.288 40.800 -0.003 0.000 0.913 137 D HN 0.335 nan 8.370 nan 0.000 0.523 138 G N 1.277 110.077 108.800 -0.001 0.000 2.143 138 G HA2 -0.317 3.643 3.960 0.000 0.000 0.248 138 G HA3 -0.317 3.643 3.960 0.000 0.000 0.248 138 G C 0.658 175.558 174.900 -0.001 0.000 0.991 138 G CA 0.523 45.623 45.100 -0.000 0.000 0.689 138 G HN 0.252 nan 8.290 nan 0.000 0.522 139 D N -0.321 120.078 120.400 -0.002 0.000 2.162 139 D HA 0.239 4.879 4.640 0.000 0.000 0.205 139 D C 1.490 177.788 176.300 -0.004 0.000 0.964 139 D CA 0.904 54.902 54.000 -0.004 0.000 0.847 139 D CB 0.242 41.039 40.800 -0.005 0.000 0.988 139 D HN 0.520 nan 8.370 nan 0.000 0.480 140 L N -0.157 121.065 121.223 -0.001 0.000 2.333 140 L HA 0.425 4.765 4.340 0.000 0.000 0.263 140 L C 0.909 177.784 176.870 0.008 0.000 1.014 140 L CA -0.711 54.130 54.840 0.002 0.000 0.820 140 L CB 2.646 44.706 42.059 0.002 0.000 1.352 140 L HN -0.297 nan 8.230 nan 0.000 0.421 141 K N 0.316 120.723 120.400 0.012 0.000 2.240 141 K HA 0.128 4.449 4.320 0.000 0.000 0.202 141 K C -0.025 176.593 176.600 0.030 0.000 1.053 141 K CA 0.246 56.548 56.287 0.024 0.000 0.973 141 K CB 0.476 32.994 32.500 0.030 0.000 0.924 141 K HN 0.188 nan 8.250 nan 0.000 0.477 142 K N 1.523 121.936 120.400 0.022 0.000 2.426 142 K HA 0.412 4.732 4.320 0.000 0.000 0.254 142 K C -1.724 174.888 176.600 0.019 0.000 0.936 142 K CA -0.486 55.815 56.287 0.024 0.000 0.801 142 K CB 1.373 33.884 32.500 0.019 0.000 1.139 142 K HN 0.071 nan 8.250 nan 0.000 0.424 143 I N 4.576 125.160 120.570 0.022 0.000 2.499 143 I HA 0.451 4.621 4.170 0.000 0.000 0.288 143 I C -1.376 174.759 176.117 0.030 0.000 1.048 143 I CA -0.993 60.320 61.300 0.022 0.000 1.062 143 I CB 1.725 39.732 38.000 0.011 0.000 1.238 143 I HN 0.388 nan 8.210 nan 0.000 0.426 144 V N 8.049 127.984 119.914 0.035 0.000 2.439 144 V HA 0.450 4.570 4.120 0.000 0.000 0.282 144 V C -0.052 176.072 176.094 0.050 0.000 1.039 144 V CA -0.359 61.968 62.300 0.045 0.000 0.913 144 V CB 1.358 33.201 31.823 0.033 0.000 0.983 144 V HN 0.541 nan 8.190 nan 0.000 0.460 145 L N 4.639 125.920 121.223 0.096 0.000 2.381 145 L HA 0.783 5.124 4.340 0.000 0.000 0.268 145 L C -0.060 177.010 176.870 0.333 0.000 0.997 145 L CA -0.136 54.792 54.840 0.147 0.000 0.818 145 L CB 2.428 44.516 42.059 0.050 0.000 1.310 145 L HN 0.826 nan 8.230 nan 0.000 0.416 146 S N 2.306 118.251 115.700 0.409 0.000 2.661 146 S HA 0.894 5.364 4.470 0.000 0.000 0.285 146 S C -0.973 173.968 174.600 0.569 0.000 1.138 146 S CA -0.936 57.536 58.200 0.454 0.000 0.855 146 S CB 2.749 66.275 63.200 0.542 0.000 1.136 146 S HN 0.775 nan 8.310 nan 0.000 0.484 147 R N -0.467 120.185 120.500 0.254 0.000 2.795 147 R HA 0.838 5.178 4.340 0.000 0.000 0.268 147 R C -1.048 175.090 176.300 -0.270 0.000 1.041 147 R CA -0.780 55.341 56.100 0.035 0.000 0.927 147 R CB 1.156 31.338 30.300 -0.198 0.000 1.235 147 R HN 0.908 nan 8.270 nan 0.000 0.463 148 S N 0.012 115.373 115.700 -0.565 0.000 2.704 148 S HA 0.745 5.215 4.470 0.000 0.000 0.296 148 S C -1.100 173.227 174.600 -0.455 0.000 1.138 148 S CA -0.914 56.934 58.200 -0.586 0.000 0.875 148 S CB 1.846 64.410 63.200 -1.061 0.000 1.151 148 S HN 0.551 nan 8.310 nan 0.000 0.500 149 L N 1.649 122.541 121.223 -0.551 0.000 2.617 149 L HA 0.493 4.833 4.340 0.000 0.000 0.259 149 L C -1.720 174.890 176.870 -0.433 0.000 0.995 149 L CA -0.177 54.331 54.840 -0.553 0.000 0.899 149 L CB 1.266 42.741 42.059 -0.972 0.000 1.181 149 L HN 0.736 nan 8.230 nan 0.000 0.437 150 D N 2.748 122.960 120.400 -0.312 0.000 2.382 150 D HA 0.446 5.086 4.640 0.000 0.000 0.245 150 D C -0.539 175.656 176.300 -0.175 0.000 1.120 150 D CA 0.357 54.224 54.000 -0.222 0.000 0.890 150 D CB 2.088 42.794 40.800 -0.157 0.000 1.201 150 D HN 0.260 nan 8.370 nan 0.000 0.433 151 V N 2.278 122.117 119.914 -0.125 0.000 2.709 151 V HA 0.314 4.435 4.120 0.000 0.000 0.308 151 V C -0.152 175.946 176.094 0.007 0.000 1.062 151 V CA -0.865 61.399 62.300 -0.060 0.000 0.901 151 V CB 2.357 34.132 31.823 -0.080 0.000 1.003 151 V HN 0.349 nan 8.190 nan 0.000 0.425 152 K N 2.214 122.642 120.400 0.047 0.000 2.323 152 K HA 0.676 4.996 4.320 0.000 0.000 0.259 152 K C -0.484 176.162 176.600 0.077 0.000 0.947 152 K CA -0.046 56.266 56.287 0.043 0.000 0.819 152 K CB 1.870 34.373 32.500 0.005 0.000 1.109 152 K HN 0.754 nan 8.250 nan 0.000 0.429 153 S N 1.850 117.574 115.700 0.041 0.000 2.608 153 S HA 0.232 4.702 4.470 0.000 0.000 0.291 153 S C 0.735 175.232 174.600 -0.171 0.000 1.146 153 S CA -0.297 57.831 58.200 -0.121 0.000 1.043 153 S CB 1.044 64.222 63.200 -0.037 0.000 1.037 153 S HN 0.716 nan 8.310 nan 0.000 0.520 154 S N 2.761 118.289 115.700 -0.286 0.000 2.453 154 S HA 0.219 4.690 4.470 0.000 0.000 0.231 154 S C 0.955 175.469 174.600 -0.143 0.000 1.005 154 S CA 0.258 58.344 58.200 -0.190 0.000 0.949 154 S CB -0.482 62.596 63.200 -0.204 0.000 0.774 154 S HN 0.910 nan 8.310 nan 0.000 0.510 155 G N 0.403 109.110 108.800 -0.156 0.000 2.788 155 G HA2 0.544 4.505 3.960 0.000 0.000 0.293 155 G HA3 0.544 4.505 3.960 0.000 0.000 0.293 155 G C -1.311 173.561 174.900 -0.048 0.000 1.305 155 G CA -1.140 43.907 45.100 -0.089 0.000 1.005 155 G HN 0.234 nan 8.290 nan 0.000 0.496 156 K N 0.025 120.411 120.400 -0.022 0.000 2.368 156 K HA 0.238 4.558 4.320 0.000 0.000 0.282 156 K C -0.118 176.494 176.600 0.019 0.000 1.035 156 K CA -0.278 56.010 56.287 0.003 0.000 0.973 156 K CB 0.322 32.825 32.500 0.004 0.000 0.957 156 K HN 0.255 nan 8.250 nan 0.000 0.474 157 I N 3.761 124.357 120.570 0.042 0.000 2.533 157 I HA -0.083 4.088 4.170 0.000 0.000 0.284 157 I C 0.414 176.561 176.117 0.050 0.000 1.109 157 I CA 0.094 61.432 61.300 0.064 0.000 1.412 157 I CB 0.558 38.606 38.000 0.079 0.000 1.396 157 I HN 0.576 nan 8.210 nan 0.000 0.543 158 D N 7.196 127.623 120.400 0.046 0.000 2.383 158 D HA 0.027 4.668 4.640 0.000 0.000 0.245 158 D C 0.963 177.290 176.300 0.044 0.000 1.263 158 D CA 0.195 54.218 54.000 0.038 0.000 0.936 158 D CB 0.662 41.479 40.800 0.028 0.000 1.053 158 D HN 0.415 nan 8.370 nan 0.000 0.507 159 K N 2.158 122.600 120.400 0.070 0.000 2.057 159 K HA -0.160 4.160 4.320 0.000 0.000 0.207 159 K C 1.747 178.396 176.600 0.082 0.000 1.049 159 K CA 0.673 57.018 56.287 0.096 0.000 0.931 159 K CB 0.094 32.706 32.500 0.187 0.000 0.714 159 K HN 0.395 nan 8.250 nan 0.000 0.440 160 Q N 1.702 121.580 119.800 0.130 0.000 2.096 160 Q HA -0.183 4.158 4.340 0.000 0.000 0.204 160 Q C 1.676 177.660 176.000 -0.027 0.000 0.982 160 Q CA 1.733 57.594 55.803 0.096 0.000 0.850 160 Q CB 0.112 28.912 28.738 0.104 0.000 0.901 160 Q HN 0.252 nan 8.270 nan 0.000 0.422 161 K N -0.136 120.257 120.400 -0.012 0.000 2.116 161 K HA -0.098 4.222 4.320 0.000 0.000 0.203 161 K C 2.166 178.738 176.600 -0.046 0.000 1.052 161 K CA 0.579 56.850 56.287 -0.027 0.000 0.952 161 K CB -0.102 32.395 32.500 -0.005 0.000 0.729 161 K HN 0.093 nan 8.250 nan 0.000 0.446 162 L N 1.429 122.625 121.223 -0.044 0.000 2.042 162 L HA -0.176 4.164 4.340 0.000 0.000 0.210 162 L C 2.029 178.827 176.870 -0.120 0.000 1.076 162 L CA 1.416 56.216 54.840 -0.067 0.000 0.749 162 L CB -0.501 41.528 42.059 -0.050 0.000 0.893 162 L HN 0.078 nan 8.230 nan 0.000 0.432 163 L N -0.237 120.879 121.223 -0.179 0.000 2.046 163 L HA -0.200 4.140 4.340 0.000 0.000 0.208 163 L C 2.786 179.510 176.870 -0.244 0.000 1.077 163 L CA 2.020 56.686 54.840 -0.291 0.000 0.747 163 L CB -0.719 41.027 42.059 -0.522 0.000 0.896 163 L HN 0.382 nan 8.230 nan 0.000 0.432 164 R N -0.859 119.528 120.500 -0.189 0.000 2.081 164 R HA -0.149 4.191 4.340 0.000 0.000 0.235 164 R C 2.077 178.339 176.300 -0.062 0.000 1.131 164 R CA 1.359 57.379 56.100 -0.134 0.000 0.960 164 R CB -0.172 30.070 30.300 -0.097 0.000 0.856 164 R HN 0.356 nan 8.270 nan 0.000 0.436 165 E N 0.856 121.035 120.200 -0.035 0.000 2.085 165 E HA -0.212 4.138 4.350 0.000 0.000 0.194 165 E C 2.120 178.761 176.600 0.067 0.000 0.994 165 E CA 1.199 57.624 56.400 0.042 0.000 0.801 165 E CB -0.221 29.470 29.700 -0.015 0.000 0.743 165 E HN 0.415 nan 8.360 nan 0.000 0.453 166 L N 0.374 121.576 121.223 -0.036 0.000 2.017 166 L HA -0.165 4.175 4.340 0.000 0.000 0.208 166 L C 2.559 179.414 176.870 -0.024 0.000 1.073 166 L CA 1.244 56.056 54.840 -0.047 0.000 0.745 166 L CB -0.466 41.516 42.059 -0.129 0.000 0.894 166 L HN 0.064 nan 8.230 nan 0.000 0.432 167 A N -0.365 122.423 122.820 -0.054 0.000 1.902 167 A HA -0.231 4.089 4.320 0.000 0.000 0.217 167 A C 2.167 179.712 177.584 -0.065 0.000 1.181 167 A CA 1.690 53.697 52.037 -0.049 0.000 0.623 167 A CB -0.466 18.511 19.000 -0.040 0.000 0.818 167 A HN 0.438 nan 8.150 nan 0.000 0.443 168 E N -1.059 119.101 120.200 -0.067 0.000 2.153 168 E HA -0.155 4.196 4.350 0.000 0.000 0.194 168 E C 0.998 177.414 176.600 -0.306 0.000 0.988 168 E CA 0.997 57.294 56.400 -0.173 0.000 0.811 168 E CB -0.142 29.447 29.700 -0.184 0.000 0.746 168 E HN 0.731 nan 8.360 nan 0.000 0.466 169 H N -0.910 118.115 119.070 -0.076 0.000 2.505 169 H HA 0.148 4.704 4.556 0.000 0.000 0.289 169 H C 0.035 175.321 175.328 -0.069 0.000 1.052 169 H CA 0.135 56.142 56.048 -0.067 0.000 1.156 169 H CB 0.229 29.957 29.762 -0.057 0.000 1.507 169 H HN -0.012 nan 8.280 nan 0.000 0.548 170 N N 0.875 119.556 118.700 -0.032 0.000 2.752 170 N HA 0.075 4.816 4.740 0.000 0.000 0.260 170 N C 0.525 175.940 175.510 -0.158 0.000 1.562 170 N CA -0.247 52.768 53.050 -0.058 0.000 0.788 170 N CB 0.533 39.005 38.487 -0.027 0.000 1.192 170 N HN -0.099 nan 8.380 nan 0.000 0.503 171 K N -0.377 119.858 120.400 -0.276 0.000 2.103 171 K HA -0.077 4.243 4.320 0.000 0.000 0.207 171 K C 0.621 176.897 176.600 -0.540 0.000 1.048 171 K CA 1.252 57.254 56.287 -0.476 0.000 0.930 171 K CB 0.010 32.069 32.500 -0.735 0.000 0.716 171 K HN 0.506 nan 8.250 nan 0.000 0.444 172 H N -1.330 117.687 119.070 -0.088 0.000 2.705 172 H HA 0.210 4.766 4.556 0.000 0.000 0.269 172 H C 1.135 176.359 175.328 -0.173 0.000 0.998 172 H CA 0.378 56.352 56.048 -0.123 0.000 1.193 172 H CB 0.469 30.167 29.762 -0.106 0.000 1.485 172 H HN 0.191 nan 8.280 nan 0.000 0.521 173 G N -0.407 108.344 108.800 -0.083 0.000 2.695 173 G HA2 0.367 4.327 3.960 0.000 0.000 0.213 173 G HA3 0.367 4.327 3.960 0.000 0.000 0.213 173 G C -1.241 173.465 174.900 -0.324 0.000 1.406 173 G CA -0.460 44.603 45.100 -0.061 0.000 1.049 173 G HN 0.132 nan 8.290 nan 0.000 0.573 174 Y N -0.321 119.967 120.300 -0.020 0.000 2.332 174 Y HA 0.456 5.006 4.550 0.000 0.000 0.326 174 Y C 0.130 176.020 175.900 -0.017 0.000 0.978 174 Y CA -0.619 57.408 58.100 -0.122 0.000 1.205 174 Y CB 2.222 40.624 38.460 -0.096 0.000 1.131 174 Y HN 0.252 nan 8.280 nan 0.000 0.462 175 T N 5.504 120.044 114.554 -0.023 0.000 2.795 175 T HA 0.651 5.001 4.350 0.000 0.000 0.282 175 T C -0.921 173.830 174.700 0.085 0.000 0.980 175 T CA -0.522 61.556 62.100 -0.037 0.000 1.012 175 T CB 0.254 69.116 68.868 -0.011 0.000 0.936 175 T HN 0.437 nan 8.240 nan 0.000 0.457 176 F N -0.024 119.994 119.950 0.113 0.000 2.631 176 F HA 0.879 5.407 4.527 0.000 0.000 0.308 176 F C -1.060 174.818 175.800 0.130 0.000 1.097 176 F CA -1.821 56.290 58.000 0.185 0.000 0.952 176 F CB 1.084 40.221 39.000 0.229 0.000 1.307 176 F HN 0.637 nan 8.300 nan 0.000 0.450 177 A N 2.075 125.107 122.820 0.353 0.000 2.375 177 A HA 0.778 5.098 4.320 0.000 0.000 0.295 177 A C -1.951 175.820 177.584 0.312 0.000 1.066 177 A CA -0.796 51.364 52.037 0.204 0.000 0.722 177 A CB 1.401 20.272 19.000 -0.215 0.000 1.206 177 A HN 0.878 nan 8.150 nan 0.000 0.435 178 V N 2.602 122.682 119.914 0.277 0.000 2.487 178 V HA 0.318 4.439 4.120 0.000 0.000 0.298 178 V C -0.047 176.117 176.094 0.117 0.000 1.028 178 V CA -0.914 61.489 62.300 0.172 0.000 0.860 178 V CB 1.793 33.660 31.823 0.074 0.000 0.991 178 V HN 0.925 nan 8.190 nan 0.000 0.427 179 N N 4.422 123.189 118.700 0.111 0.000 2.452 179 N HA 0.308 5.048 4.740 0.000 0.000 0.266 179 N C -0.801 174.717 175.510 0.013 0.000 1.175 179 N CA 0.175 53.273 53.050 0.079 0.000 0.945 179 N CB 0.400 38.934 38.487 0.079 0.000 1.063 179 N HN 0.652 nan 8.380 nan 0.000 0.472 180 L N 4.258 125.481 121.223 -0.001 0.000 2.344 180 L HA 0.521 4.862 4.340 0.000 0.000 0.272 180 L C -1.805 175.090 176.870 0.041 0.000 1.035 180 L CA -2.216 52.594 54.840 -0.050 0.000 0.807 180 L CB 1.397 43.414 42.059 -0.070 0.000 1.237 180 L HN 0.450 nan 8.230 nan 0.000 0.442 181 P HA -0.018 nan 4.420 nan 0.000 0.260 181 P C -0.736 176.629 177.300 0.108 0.000 1.172 181 P CA 0.420 63.584 63.100 0.107 0.000 0.760 181 P CB 0.294 32.084 31.700 0.151 0.000 0.773 182 K N 2.411 122.862 120.400 0.085 0.000 2.149 182 K HA 0.065 4.386 4.320 0.000 0.000 0.245 182 K C 0.657 177.306 176.600 0.081 0.000 1.024 182 K CA -0.256 56.078 56.287 0.078 0.000 0.899 182 K CB 0.426 32.963 32.500 0.061 0.000 1.038 182 K HN 0.372 nan 8.250 nan 0.000 0.496 183 D N 0.579 121.024 120.400 0.075 0.000 2.259 183 D HA 0.023 4.664 4.640 0.000 0.000 0.216 183 D C 0.085 176.416 176.300 0.053 0.000 0.961 183 D CA 1.148 55.188 54.000 0.067 0.000 0.878 183 D CB 0.444 41.284 40.800 0.066 0.000 1.009 183 D HN 0.352 nan 8.370 nan 0.000 0.490 188 S N 0.805 116.530 115.700 0.041 0.000 2.549 188 S HA 0.326 4.796 4.470 0.000 0.000 0.279 188 S C -0.055 174.583 174.600 0.064 0.000 1.321 188 S CA -0.089 58.141 58.200 0.049 0.000 1.054 188 S CB 0.822 64.046 63.200 0.040 0.000 0.899 188 S HN 0.418 nan 8.310 nan 0.000 0.497 189 K N 2.497 122.941 120.400 0.073 0.000 2.358 189 K HA 0.412 4.732 4.320 0.000 0.000 0.260 189 K C -1.227 175.429 176.600 0.092 0.000 0.956 189 K CA -0.408 55.932 56.287 0.088 0.000 0.834 189 K CB 1.317 33.876 32.500 0.098 0.000 1.102 189 K HN 0.796 nan 8.250 nan 0.000 0.431 190 T N 3.947 118.567 114.554 0.110 0.000 2.824 190 T HA 0.278 4.628 4.350 0.000 0.000 0.282 190 T C -1.012 173.774 174.700 0.143 0.000 0.993 190 T CA -0.688 61.489 62.100 0.129 0.000 0.967 190 T CB 1.193 70.158 68.868 0.162 0.000 0.960 190 T HN 0.427 nan 8.240 nan 0.000 0.441 191 L N 4.569 125.882 121.223 0.150 0.000 2.257 191 L HA 0.723 5.063 4.340 0.000 0.000 0.290 191 L C -0.876 176.189 176.870 0.326 0.000 1.044 191 L CA -0.334 54.643 54.840 0.229 0.000 0.810 191 L CB 0.161 42.316 42.059 0.159 0.000 1.193 191 L HN 0.712 nan 8.230 nan 0.000 0.425 192 I N 4.327 125.050 120.570 0.254 0.000 2.730 192 I HA 0.913 5.084 4.170 0.000 0.000 0.298 192 I C -0.137 175.830 176.117 -0.250 0.000 1.089 192 I CA -0.139 61.159 61.300 -0.004 0.000 1.041 192 I CB 2.015 39.988 38.000 -0.045 0.000 1.235 192 I HN 0.735 nan 8.210 nan 0.000 0.423 193 G N 4.140 112.353 108.800 -0.978 0.000 2.320 193 G HA2 0.619 4.579 3.960 0.000 0.000 0.296 193 G HA3 0.619 4.579 3.960 0.000 0.000 0.296 193 G C -2.177 172.145 174.900 -0.962 0.000 1.306 193 G CA -0.038 44.540 45.100 -0.871 0.000 0.836 193 G HN 0.877 nan 8.290 nan 0.000 0.517 194 A N -0.018 122.616 122.820 -0.311 0.000 2.745 194 A HA 0.766 5.086 4.320 0.000 0.000 0.301 194 A C -0.166 177.506 177.584 0.147 0.000 1.188 194 A CA 0.428 52.420 52.037 -0.074 0.000 0.746 194 A CB 0.918 19.883 19.000 -0.059 0.000 1.207 194 A HN 1.815 nan 8.150 nan 0.000 0.432 195 S N 3.004 118.903 115.700 0.332 0.000 2.541 195 S HA 0.674 5.144 4.470 0.000 0.000 0.283 195 S C -1.735 173.037 174.600 0.287 0.000 1.196 195 S CA -1.437 56.957 58.200 0.324 0.000 1.062 195 S CB 1.102 64.521 63.200 0.365 0.000 1.009 195 S HN 0.461 nan 8.310 nan 0.000 0.502 196 P HA 0.183 nan 4.420 nan 0.000 0.261 196 P C -0.294 177.119 177.300 0.188 0.000 1.268 196 P CA 0.253 63.469 63.100 0.194 0.000 0.833 196 P CB 0.081 31.851 31.700 0.118 0.000 1.231 197 E N 0.728 120.998 120.200 0.117 0.000 2.145 197 E HA 0.310 4.660 4.350 0.000 0.000 0.262 197 E C -1.068 175.476 176.600 -0.094 0.000 0.883 197 E CA -1.105 55.308 56.400 0.022 0.000 0.748 197 E CB 0.770 30.453 29.700 -0.029 0.000 1.140 197 E HN -0.134 nan 8.360 nan 0.000 0.417 198 L N 5.732 126.889 121.223 -0.110 0.000 2.361 198 L HA 0.090 4.431 4.340 0.000 0.000 0.278 198 L C 0.474 177.292 176.870 -0.086 0.000 1.113 198 L CA 0.179 54.885 54.840 -0.223 0.000 0.849 198 L CB 0.816 42.826 42.059 -0.082 0.000 1.155 198 L HN 0.767 nan 8.230 nan 0.000 0.452 199 L N 5.877 127.055 121.223 -0.075 0.000 2.023 199 L HA 0.207 4.548 4.340 0.000 0.000 0.205 199 L C 0.315 177.178 176.870 -0.011 0.000 1.073 199 L CA 1.483 56.310 54.840 -0.022 0.000 0.745 199 L CB 0.237 42.296 42.059 -0.000 0.000 0.900 199 L HN 0.477 nan 8.230 nan 0.000 0.435 200 V N -1.065 118.853 119.914 0.007 0.000 3.098 200 V HA 0.561 4.681 4.120 0.000 0.000 0.294 200 V C -1.334 174.770 176.094 0.017 0.000 1.351 200 V CA 0.012 62.317 62.300 0.008 0.000 0.999 200 V CB 2.191 34.002 31.823 -0.019 0.000 1.104 200 V HN 0.449 nan 8.190 nan 0.000 0.438 201 S N 6.030 121.733 115.700 0.005 0.000 2.599 201 S HA 0.854 5.324 4.470 0.000 0.000 0.294 201 S C -0.860 173.734 174.600 -0.010 0.000 1.094 201 S CA -0.875 57.314 58.200 -0.017 0.000 0.931 201 S CB 2.339 65.562 63.200 0.038 0.000 1.093 201 S HN 1.027 nan 8.310 nan 0.000 0.488 202 R N 0.896 121.374 120.500 -0.038 0.000 2.628 202 R HA 0.407 4.747 4.340 0.000 0.000 0.288 202 R C -1.866 174.470 176.300 0.061 0.000 0.980 202 R CA -0.476 55.622 56.100 -0.003 0.000 0.891 202 R CB 1.311 31.580 30.300 -0.051 0.000 1.188 202 R HN 0.943 nan 8.270 nan 0.000 0.450 203 H N 3.123 122.194 119.070 0.002 0.000 3.108 203 H HA 0.275 4.831 4.556 0.000 0.000 0.329 203 H C -0.138 175.208 175.328 0.030 0.000 0.978 203 H CA 0.765 56.832 56.048 0.032 0.000 1.413 203 H CB 1.375 31.168 29.762 0.050 0.000 1.670 203 H HN 0.989 nan 8.280 nan 0.000 0.512 207 V N 5.270 125.211 119.914 0.044 0.000 2.513 207 V HA 0.677 4.797 4.120 0.000 0.000 0.299 207 V C -0.190 175.927 176.094 0.038 0.000 1.035 207 V CA -0.446 61.870 62.300 0.027 0.000 0.889 207 V CB 1.834 33.659 31.823 0.003 0.000 0.988 207 V HN 0.655 nan 8.190 nan 0.000 0.440 208 I N 2.996 123.586 120.570 0.034 0.000 2.569 208 I HA 0.519 4.689 4.170 0.000 0.000 0.290 208 I C -0.437 175.699 176.117 0.032 0.000 1.088 208 I CA -0.236 61.089 61.300 0.042 0.000 1.047 208 I CB 2.295 40.325 38.000 0.051 0.000 1.237 208 I HN 0.617 nan 8.210 nan 0.000 0.421 209 S N 3.898 119.617 115.700 0.031 0.000 2.542 209 S HA 0.530 5.000 4.470 0.000 0.000 0.293 209 S C -0.861 173.760 174.600 0.034 0.000 1.089 209 S CA -0.519 57.693 58.200 0.020 0.000 0.961 209 S CB 1.543 64.745 63.200 0.003 0.000 1.062 209 S HN 0.634 nan 8.310 nan 0.000 0.483 210 N N 3.406 122.125 118.700 0.032 0.000 2.844 210 N HA 0.400 5.140 4.740 0.000 0.000 0.268 210 N C -2.886 172.648 175.510 0.040 0.000 1.574 210 N CA -1.848 51.234 53.050 0.052 0.000 0.838 210 N CB 1.158 39.691 38.487 0.078 0.000 1.177 210 N HN 0.359 nan 8.380 nan 0.000 0.495 211 P HA 0.065 nan 4.420 nan 0.000 0.267 211 P C -0.597 176.740 177.300 0.061 0.000 1.205 211 P CA 0.144 63.239 63.100 -0.008 0.000 0.765 211 P CB 1.083 32.731 31.700 -0.085 0.000 0.828 212 L N 2.861 124.112 121.223 0.046 0.000 2.313 212 L HA 0.745 5.086 4.340 0.000 0.000 0.283 212 L C 0.168 177.108 176.870 0.117 0.000 1.013 212 L CA -0.687 54.218 54.840 0.108 0.000 0.816 212 L CB 1.791 43.812 42.059 -0.064 0.000 1.236 212 L HN 0.432 nan 8.230 nan 0.000 0.419 213 A N 2.568 125.553 122.820 0.275 0.000 2.491 213 A HA 0.791 5.111 4.320 0.000 0.000 0.293 213 A C -0.234 177.535 177.584 0.309 0.000 1.047 213 A CA 0.003 52.175 52.037 0.225 0.000 0.735 213 A CB 1.686 20.746 19.000 0.101 0.000 1.281 213 A HN 0.979 nan 8.150 nan 0.000 0.398 214 G N 1.268 110.204 108.800 0.227 0.000 3.355 214 G HA2 0.544 4.504 3.960 0.000 0.000 0.686 214 G HA3 0.544 4.504 3.960 0.000 0.000 0.686 214 G C -0.490 174.542 174.900 0.220 0.000 1.097 214 G CA 0.036 45.251 45.100 0.192 0.000 0.881 214 G HN 2.407 nan 8.290 nan 0.000 0.550 215 S N 1.902 117.706 115.700 0.173 0.000 2.607 215 S HA 0.958 5.429 4.470 0.000 0.000 0.273 215 S C -0.786 173.873 174.600 0.099 0.000 1.148 215 S CA -1.294 56.987 58.200 0.135 0.000 0.833 215 S CB 2.766 66.059 63.200 0.155 0.000 1.130 215 S HN 1.025 nan 8.310 nan 0.000 0.470 216 R N 0.250 120.812 120.500 0.103 0.000 2.668 216 R HA 0.606 4.946 4.340 0.000 0.000 0.272 216 R C -3.377 173.007 176.300 0.141 0.000 1.019 216 R CA -1.962 54.217 56.100 0.130 0.000 0.894 216 R CB 1.409 31.804 30.300 0.159 0.000 1.228 216 R HN 0.482 nan 8.270 nan 0.000 0.460 217 P HA 0.194 nan 4.420 nan 0.000 0.271 217 P C -0.213 177.154 177.300 0.111 0.000 1.218 217 P CA -0.462 62.673 63.100 0.059 0.000 0.780 217 P CB 0.547 32.276 31.700 0.047 0.000 0.901 218 R N 0.903 121.378 120.500 -0.042 0.000 2.827 218 R HA 0.304 4.644 4.340 0.000 0.000 0.269 218 R C 0.611 176.936 176.300 0.041 0.000 1.048 218 R CA 0.204 56.259 56.100 -0.075 0.000 1.173 218 R CB -0.296 29.851 30.300 -0.255 0.000 1.070 218 R HN 0.510 nan 8.270 nan 0.000 0.498 219 S N -0.601 115.148 115.700 0.082 0.000 2.542 219 S HA 0.205 4.675 4.470 0.000 0.000 0.293 219 S C 0.054 174.676 174.600 0.037 0.000 1.089 219 S CA -0.789 57.450 58.200 0.064 0.000 0.961 219 S CB 1.292 64.546 63.200 0.091 0.000 1.062 219 S HN 0.420 nan 8.310 nan 0.000 0.483 220 D N 1.425 121.837 120.400 0.020 0.000 2.317 220 D HA 0.011 4.651 4.640 0.000 0.000 0.211 220 D C -0.010 176.301 176.300 0.019 0.000 0.966 220 D CA 0.688 54.694 54.000 0.011 0.000 0.876 220 D CB 0.038 40.841 40.800 0.004 0.000 0.927 220 D HN 0.606 nan 8.370 nan 0.000 0.519 221 D N 1.197 121.615 120.400 0.029 0.000 2.365 221 D HA 0.031 4.671 4.640 0.000 0.000 0.237 221 D C -1.571 174.755 176.300 0.043 0.000 1.190 221 D CA -1.983 52.035 54.000 0.030 0.000 0.867 221 D CB 1.752 42.569 40.800 0.028 0.000 1.050 221 D HN -0.028 nan 8.370 nan 0.000 0.491 222 P HA -0.118 nan 4.420 nan 0.000 0.222 222 P C 1.514 178.844 177.300 0.050 0.000 1.147 222 P CA 0.279 63.410 63.100 0.052 0.000 0.790 222 P CB 0.571 32.292 31.700 0.035 0.000 0.780 223 V N 0.749 120.683 119.914 0.033 0.000 2.323 223 V HA -0.174 3.946 4.120 0.000 0.000 0.244 223 V C 2.782 178.890 176.094 0.024 0.000 1.041 223 V CA 2.098 64.411 62.300 0.022 0.000 1.025 223 V CB -1.160 30.670 31.823 0.013 0.000 0.656 223 V HN 0.131 nan 8.190 nan 0.000 0.451 224 E N 0.668 120.889 120.200 0.034 0.000 2.106 224 E HA -0.237 4.113 4.350 0.000 0.000 0.192 224 E C 1.780 178.420 176.600 0.068 0.000 0.984 224 E CA 1.607 58.030 56.400 0.039 0.000 0.806 224 E CB -0.451 29.274 29.700 0.041 0.000 0.750 224 E HN 0.592 nan 8.360 nan 0.000 0.458 225 D N -0.038 120.433 120.400 0.118 0.000 2.106 225 D HA -0.167 4.473 4.640 0.000 0.000 0.191 225 D C 1.662 178.063 176.300 0.168 0.000 0.997 225 D CA 1.550 55.703 54.000 0.254 0.000 0.834 225 D CB 0.017 40.977 40.800 0.266 0.000 0.956 225 D HN 0.125 nan 8.370 nan 0.000 0.448 226 K N -0.284 120.150 120.400 0.056 0.000 2.097 226 K HA -0.046 4.274 4.320 0.000 0.000 0.205 226 K C 2.280 178.777 176.600 -0.171 0.000 1.050 226 K CA 0.608 56.841 56.287 -0.090 0.000 0.938 226 K CB -0.041 32.437 32.500 -0.036 0.000 0.718 226 K HN 0.009 nan 8.250 nan 0.000 0.442 227 R N 1.202 121.647 120.500 -0.091 0.000 2.091 227 R HA -0.138 4.202 4.340 0.000 0.000 0.238 227 R C 2.035 178.250 176.300 -0.142 0.000 1.136 227 R CA 1.585 57.629 56.100 -0.094 0.000 0.959 227 R CB 0.007 30.282 30.300 -0.042 0.000 0.856 227 R HN 0.126 nan 8.270 nan 0.000 0.437 228 R N -0.206 120.208 120.500 -0.142 0.000 2.075 228 R HA -0.067 4.273 4.340 0.000 0.000 0.232 228 R C 2.388 178.454 176.300 -0.390 0.000 1.126 228 R CA 1.285 57.286 56.100 -0.165 0.000 0.963 228 R CB -0.372 29.918 30.300 -0.017 0.000 0.858 228 R HN 0.251 nan 8.270 nan 0.000 0.435 229 A N 1.238 123.571 122.820 -0.812 0.000 1.883 229 A HA -0.246 4.074 4.320 0.000 0.000 0.217 229 A C 2.020 179.306 177.584 -0.496 0.000 1.186 229 A CA 1.747 53.148 52.037 -1.061 0.000 0.624 229 A CB -0.407 17.594 19.000 -1.665 0.000 0.822 229 A HN 0.195 nan 8.150 nan 0.000 0.444 230 E N -0.426 119.560 120.200 -0.357 0.000 2.106 230 E HA -0.152 4.199 4.350 0.000 0.000 0.192 230 E C 2.004 178.514 176.600 -0.150 0.000 0.984 230 E CA 1.304 57.578 56.400 -0.209 0.000 0.806 230 E CB -0.184 29.424 29.700 -0.154 0.000 0.750 230 E HN 0.733 nan 8.360 nan 0.000 0.458 231 E N -0.334 119.779 120.200 -0.144 0.000 2.072 231 E HA -0.173 4.177 4.350 0.000 0.000 0.191 231 E C 2.017 178.571 176.600 -0.076 0.000 0.985 231 E CA 0.811 57.158 56.400 -0.089 0.000 0.801 231 E CB -0.091 29.567 29.700 -0.069 0.000 0.750 231 E HN 0.238 nan 8.360 nan 0.000 0.452 232 L N 1.156 122.318 121.223 -0.101 0.000 2.017 232 L HA -0.156 4.184 4.340 0.000 0.000 0.208 232 L C 2.344 179.176 176.870 -0.064 0.000 1.073 232 L CA 1.387 56.190 54.840 -0.062 0.000 0.745 232 L CB -0.733 41.288 42.059 -0.062 0.000 0.894 232 L HN 0.243 nan 8.230 nan 0.000 0.432 233 L N -0.618 120.545 121.223 -0.102 0.000 2.265 233 L HA -0.104 4.236 4.340 0.000 0.000 0.215 233 L C 2.102 178.936 176.870 -0.061 0.000 1.117 233 L CA 1.844 56.631 54.840 -0.089 0.000 0.782 233 L CB -0.533 41.461 42.059 -0.109 0.000 0.914 233 L HN 0.635 nan 8.230 nan 0.000 0.441 234 S N -3.389 112.280 115.700 -0.052 0.000 2.701 234 S HA 0.179 4.649 4.470 0.000 0.000 0.242 234 S C 0.774 175.365 174.600 -0.015 0.000 1.025 234 S CA 0.048 58.229 58.200 -0.031 0.000 1.016 234 S CB -0.409 62.770 63.200 -0.035 0.000 0.977 234 S HN 0.323 nan 8.310 nan 0.000 0.546 235 S N 2.940 118.634 115.700 -0.010 0.000 2.465 235 S HA 0.322 4.792 4.470 0.000 0.000 0.280 235 S C -1.585 173.031 174.600 0.027 0.000 1.232 235 S CA -1.029 57.176 58.200 0.008 0.000 1.066 235 S CB 0.789 63.998 63.200 0.014 0.000 0.929 235 S HN 0.107 nan 8.310 nan 0.000 0.494 236 P HA -0.098 nan 4.420 nan 0.000 0.217 236 P C 1.359 178.706 177.300 0.078 0.000 1.150 236 P CA 0.924 64.052 63.100 0.047 0.000 0.832 236 P CB 0.125 31.840 31.700 0.026 0.000 0.787 237 K N -0.098 120.340 120.400 0.063 0.000 2.057 237 K HA -0.172 4.148 4.320 0.000 0.000 0.207 237 K C 1.547 178.223 176.600 0.126 0.000 1.049 237 K CA 1.701 58.038 56.287 0.084 0.000 0.931 237 K CB -0.457 32.077 32.500 0.055 0.000 0.714 237 K HN 0.014 nan 8.250 nan 0.000 0.440 238 D N 0.747 121.205 120.400 0.097 0.000 2.162 238 D HA -0.091 4.549 4.640 0.000 0.000 0.203 238 D C 2.108 178.479 176.300 0.120 0.000 0.967 238 D CA 0.803 54.866 54.000 0.104 0.000 0.840 238 D CB 0.006 40.852 40.800 0.076 0.000 0.972 238 D HN 0.224 nan 8.370 nan 0.000 0.482 239 L N 0.361 121.642 121.223 0.097 0.000 2.079 239 L HA -0.217 4.123 4.340 0.000 0.000 0.210 239 L C 2.493 179.445 176.870 0.135 0.000 1.081 239 L CA 1.192 56.091 54.840 0.097 0.000 0.752 239 L CB -0.476 41.622 42.059 0.065 0.000 0.896 239 L HN 0.137 nan 8.230 nan 0.000 0.433 240 H N -0.205 118.905 119.070 0.067 0.000 2.357 240 H HA -0.191 4.366 4.556 0.000 0.000 0.301 240 H C 2.167 177.534 175.328 0.065 0.000 1.082 240 H CA 1.762 57.844 56.048 0.057 0.000 1.342 240 H CB 0.205 29.989 29.762 0.038 0.000 1.389 240 H HN 0.160 nan 8.280 nan 0.000 0.511 241 E N -0.429 119.799 120.200 0.046 0.000 2.150 241 E HA -0.175 4.175 4.350 0.000 0.000 0.193 241 E C 2.078 178.668 176.600 -0.018 0.000 0.985 241 E CA 1.421 57.818 56.400 -0.006 0.000 0.814 241 E CB -0.443 29.317 29.700 0.100 0.000 0.752 241 E HN 0.719 nan 8.360 nan 0.000 0.466 242 H N -0.616 118.436 119.070 -0.030 0.000 2.353 242 H HA 0.024 4.580 4.556 0.000 0.000 0.300 242 H C 1.758 177.055 175.328 -0.051 0.000 1.090 242 H CA 2.045 58.083 56.048 -0.018 0.000 1.327 242 H CB -0.189 29.582 29.762 0.014 0.000 1.383 242 H HN 0.224 nan 8.280 nan 0.000 0.508 243 A N -0.170 122.656 122.820 0.010 0.000 2.019 243 A HA -0.109 4.212 4.320 0.000 0.000 0.219 243 A C 2.573 180.072 177.584 -0.142 0.000 1.164 243 A CA 1.511 53.517 52.037 -0.053 0.000 0.644 243 A CB -0.745 18.230 19.000 -0.043 0.000 0.805 243 A HN 0.343 nan 8.150 nan 0.000 0.449 244 V N -0.552 119.236 119.914 -0.210 0.000 2.307 244 V HA -0.204 3.916 4.120 0.000 0.000 0.245 244 V C 2.565 178.575 176.094 -0.140 0.000 1.045 244 V CA 1.891 64.084 62.300 -0.179 0.000 1.024 244 V CB -0.699 31.010 31.823 -0.189 0.000 0.651 244 V HN 0.374 nan 8.190 nan 0.000 0.449 245 V N -0.060 119.754 119.914 -0.167 0.000 2.332 245 V HA -0.234 3.887 4.120 0.000 0.000 0.248 245 V C 2.441 178.429 176.094 -0.177 0.000 1.055 245 V CA 1.984 64.181 62.300 -0.172 0.000 1.038 245 V CB -0.536 31.162 31.823 -0.208 0.000 0.651 245 V HN 0.419 nan 8.190 nan 0.000 0.450 246 V N 0.151 119.931 119.914 -0.224 0.000 2.343 246 V HA -0.261 3.860 4.120 0.000 0.000 0.247 246 V C 2.572 178.618 176.094 -0.081 0.000 1.051 246 V CA 2.202 64.415 62.300 -0.145 0.000 1.036 246 V CB -0.696 31.064 31.823 -0.105 0.000 0.654 246 V HN 0.629 nan 8.190 nan 0.000 0.451 247 E N 1.109 121.262 120.200 -0.079 0.000 2.110 247 E HA -0.181 4.169 4.350 0.000 0.000 0.193 247 E C 2.071 178.641 176.600 -0.051 0.000 0.988 247 E CA 1.756 58.122 56.400 -0.056 0.000 0.804 247 E CB -0.463 29.204 29.700 -0.056 0.000 0.745 247 E HN 0.521 nan 8.360 nan 0.000 0.458 248 A N -0.038 122.744 122.820 -0.062 0.000 1.929 248 A HA -0.060 4.260 4.320 0.000 0.000 0.216 248 A C 2.488 180.046 177.584 -0.043 0.000 1.176 248 A CA 1.347 53.353 52.037 -0.052 0.000 0.628 248 A CB -0.634 18.330 19.000 -0.060 0.000 0.816 248 A HN 0.183 nan 8.150 nan 0.000 0.444 249 V N 0.093 119.978 119.914 -0.049 0.000 2.255 249 V HA -0.287 3.833 4.120 0.000 0.000 0.247 249 V C 3.084 179.167 176.094 -0.018 0.000 1.051 249 V CA 2.068 64.348 62.300 -0.034 0.000 1.018 249 V CB -1.363 30.436 31.823 -0.039 0.000 0.641 249 V HN 0.608 nan 8.190 nan 0.000 0.445 250 A N 0.092 122.900 122.820 -0.021 0.000 1.883 250 A HA -0.198 4.122 4.320 0.000 0.000 0.217 250 A C 2.473 180.051 177.584 -0.010 0.000 1.186 250 A CA 2.480 54.508 52.037 -0.014 0.000 0.624 250 A CB -1.046 17.942 19.000 -0.020 0.000 0.822 250 A HN 0.625 nan 8.150 nan 0.000 0.444 251 A N -0.230 122.580 122.820 -0.017 0.000 1.927 251 A HA 0.014 4.334 4.320 0.000 0.000 0.220 251 A C 2.505 180.089 177.584 -0.001 0.000 1.185 251 A CA 2.648 54.674 52.037 -0.017 0.000 0.639 251 A CB -1.079 17.906 19.000 -0.025 0.000 0.820 251 A HN 1.215 nan 8.150 nan 0.000 0.451 252 A N -0.987 121.840 122.820 0.011 0.000 1.968 252 A HA 0.131 4.451 4.320 0.000 0.000 0.217 252 A C 2.101 179.759 177.584 0.124 0.000 1.169 252 A CA 1.347 53.413 52.037 0.049 0.000 0.638 252 A CB -0.387 18.629 19.000 0.026 0.000 0.812 252 A HN 0.472 nan 8.150 nan 0.000 0.446 253 L N -1.659 119.616 121.223 0.087 0.000 2.307 253 L HA 0.017 4.357 4.340 0.000 0.000 0.211 253 L C 2.636 179.572 176.870 0.110 0.000 1.099 253 L CA 0.282 55.200 54.840 0.129 0.000 0.816 253 L CB -0.362 41.728 42.059 0.051 0.000 0.952 253 L HN 0.320 nan 8.230 nan 0.000 0.455 254 R N 0.637 121.157 120.500 0.033 0.000 2.112 254 R HA -0.199 4.141 4.340 0.000 0.000 0.242 254 R C -0.421 175.854 176.300 -0.041 0.000 1.137 254 R CA 1.947 58.040 56.100 -0.012 0.000 0.944 254 R CB -1.543 28.740 30.300 -0.030 0.000 0.857 254 R HN 0.315 nan 8.270 nan 0.000 0.435 255 P HA -0.121 nan 4.420 nan 0.000 0.225 255 P C 0.284 177.398 177.300 -0.310 0.000 1.148 255 P CA 1.288 64.243 63.100 -0.240 0.000 0.779 255 P CB 0.039 31.509 31.700 -0.385 0.000 0.780 256 Y N -2.161 118.121 120.300 -0.030 0.000 2.497 256 Y HA 0.141 4.691 4.550 0.000 0.000 0.265 256 Y C 1.071 176.951 175.900 -0.034 0.000 1.111 256 Y CA -0.197 57.887 58.100 -0.027 0.000 1.288 256 Y CB -0.215 38.225 38.460 -0.034 0.000 1.082 256 Y HN -0.117 nan 8.280 nan 0.000 0.536 257 C N 0.084 119.423 119.300 0.066 0.000 2.456 257 C HA 0.243 4.704 4.460 0.000 0.000 0.325 257 C C 1.447 176.405 174.990 -0.053 0.000 1.217 257 C CA -0.820 58.174 59.018 -0.040 0.000 1.687 257 C CB 0.481 28.177 27.740 -0.073 0.000 2.270 257 C HN 0.645 nan 8.230 nan 0.000 0.499 258 H N 0.335 119.408 119.070 0.004 0.000 2.436 258 H HA 0.120 4.677 4.556 0.000 0.000 0.294 258 H C 0.786 176.084 175.328 -0.048 0.000 1.048 258 H CA 1.347 57.385 56.048 -0.017 0.000 1.353 258 H CB -0.163 29.596 29.762 -0.006 0.000 1.414 258 H HN 0.629 nan 8.280 nan 0.000 0.536 259 T N -1.216 113.180 114.554 -0.263 0.000 2.912 259 T HA 0.561 4.911 4.350 0.000 0.000 0.299 259 T C -1.000 173.501 174.700 -0.332 0.000 1.052 259 T CA -1.011 60.940 62.100 -0.249 0.000 0.996 259 T CB 1.942 70.686 68.868 -0.207 0.000 1.070 259 T HN 0.219 nan 8.240 nan 0.000 0.465 260 L N 2.534 123.520 121.223 -0.396 0.000 2.370 260 L HA 0.594 4.934 4.340 0.000 0.000 0.266 260 L C -1.423 175.115 176.870 -0.554 0.000 1.002 260 L CA -1.295 53.350 54.840 -0.324 0.000 0.818 260 L CB 2.284 44.256 42.059 -0.146 0.000 1.325 260 L HN 0.779 nan 8.230 nan 0.000 0.418 261 Y N 1.835 122.132 120.300 -0.004 0.000 2.328 261 Y HA 0.479 5.029 4.550 0.000 0.000 0.333 261 Y C -0.274 175.631 175.900 0.009 0.000 0.958 261 Y CA -0.848 57.255 58.100 0.005 0.000 1.167 261 Y CB 1.803 40.267 38.460 0.006 0.000 1.151 261 Y HN 0.058 nan 8.280 nan 0.000 0.470 262 V N 5.534 125.514 119.914 0.110 0.000 2.350 262 V HA 0.413 4.534 4.120 0.000 0.000 0.285 262 V C -2.178 173.966 176.094 0.083 0.000 1.014 262 V CA -2.019 60.328 62.300 0.078 0.000 0.831 262 V CB 1.307 33.151 31.823 0.035 0.000 1.000 262 V HN 0.597 nan 8.190 nan 0.000 0.433 263 P HA 0.173 nan 4.420 nan 0.000 0.271 263 P C 1.002 178.341 177.300 0.065 0.000 1.216 263 P CA -0.142 63.003 63.100 0.075 0.000 0.776 263 P CB 0.941 32.683 31.700 0.071 0.000 0.881 264 E N 2.150 122.381 120.200 0.053 0.000 2.070 264 E HA -0.195 4.155 4.350 0.000 0.000 0.197 264 E C -0.135 176.493 176.600 0.046 0.000 1.004 264 E CA 1.429 57.855 56.400 0.044 0.000 0.805 264 E CB 0.206 29.927 29.700 0.035 0.000 0.744 264 E HN 0.411 nan 8.360 nan 0.000 0.451 265 K N 0.344 120.768 120.400 0.040 0.000 2.435 265 K HA 0.381 4.701 4.320 0.000 0.000 0.251 265 K C -2.588 174.020 176.600 0.015 0.000 0.954 265 K CA -2.017 54.286 56.287 0.026 0.000 0.820 265 K CB 2.122 34.627 32.500 0.008 0.000 1.292 265 K HN -0.011 nan 8.250 nan 0.000 0.436 266 P HA 0.173 nan 4.420 nan 0.000 0.276 266 P C -0.797 176.455 177.300 -0.080 0.000 1.244 266 P CA -0.405 62.629 63.100 -0.110 0.000 0.801 266 P CB 1.167 32.585 31.700 -0.470 0.000 1.006 267 S N -0.146 115.527 115.700 -0.045 0.000 2.738 267 S HA 0.524 4.994 4.470 0.000 0.000 0.284 267 S C -0.019 174.576 174.600 -0.008 0.000 1.146 267 S CA -0.737 57.452 58.200 -0.019 0.000 0.997 267 S CB 0.843 64.049 63.200 0.010 0.000 1.081 267 S HN 0.276 nan 8.310 nan 0.000 0.553 268 V N 1.861 121.796 119.914 0.035 0.000 2.513 268 V HA 0.592 4.713 4.120 0.000 0.000 0.299 268 V C -0.095 176.125 176.094 0.209 0.000 1.035 268 V CA -0.681 61.690 62.300 0.118 0.000 0.889 268 V CB 0.737 32.601 31.823 0.067 0.000 0.988 268 V HN 0.810 nan 8.190 nan 0.000 0.440 269 I N 1.548 122.272 120.570 0.257 0.000 3.108 269 I HA 0.906 5.076 4.170 0.000 0.000 0.312 269 I C -0.746 175.499 176.117 0.213 0.000 1.095 269 I CA -0.878 60.511 61.300 0.150 0.000 1.000 269 I CB 2.541 40.565 38.000 0.039 0.000 1.229 269 I HN 0.857 nan 8.210 nan 0.000 0.454 270 H N 0.642 119.751 119.070 0.065 0.000 2.768 270 H HA 0.807 5.363 4.556 0.000 0.000 0.371 270 H C -0.736 174.563 175.328 -0.049 0.000 1.151 270 H CA -0.691 55.248 56.048 -0.183 0.000 1.165 270 H CB 1.427 30.779 29.762 -0.683 0.000 1.722 270 H HN 0.782 nan 8.280 nan 0.000 0.543 271 S N 0.945 116.685 115.700 0.067 0.000 2.768 271 S HA 0.233 4.704 4.470 0.000 0.000 0.300 271 S C 0.724 175.332 174.600 0.014 0.000 1.122 271 S CA -0.792 57.469 58.200 0.101 0.000 0.995 271 S CB 1.352 64.621 63.200 0.116 0.000 1.195 271 S HN 0.831 nan 8.310 nan 0.000 0.547 272 E N 0.286 120.498 120.200 0.020 0.000 2.160 272 E HA -0.031 4.319 4.350 0.000 0.000 0.195 272 E C 1.082 177.629 176.600 -0.088 0.000 0.991 272 E CA 1.149 57.526 56.400 -0.039 0.000 0.810 272 E CB -0.241 29.467 29.700 0.013 0.000 0.742 272 E HN 0.672 nan 8.360 nan 0.000 0.466 276 H N 2.382 121.644 119.070 0.320 0.000 2.771 276 H HA 0.460 5.017 4.556 0.000 0.000 0.361 276 H C -0.673 174.746 175.328 0.152 0.000 1.108 276 H CA -0.901 55.267 56.048 0.200 0.000 1.201 276 H CB 2.394 32.250 29.762 0.156 0.000 1.681 276 H HN 0.197 nan 8.280 nan 0.000 0.534 277 L N 2.006 123.362 121.223 0.222 0.000 2.360 277 L HA 0.170 4.511 4.340 0.000 0.000 0.276 277 L C 0.502 177.417 176.870 0.075 0.000 1.121 277 L CA 0.194 55.043 54.840 0.015 0.000 0.845 277 L CB 0.830 42.798 42.059 -0.152 0.000 1.143 277 L HN 0.397 nan 8.230 nan 0.000 0.452 278 S N 2.274 117.984 115.700 0.018 0.000 2.538 278 S HA 0.634 5.105 4.470 0.000 0.000 0.288 278 S C -0.695 173.995 174.600 0.150 0.000 1.108 278 S CA -0.447 57.851 58.200 0.164 0.000 0.971 278 S CB 1.767 65.042 63.200 0.125 0.000 1.041 278 S HN 0.554 nan 8.310 nan 0.000 0.483 279 T N 3.831 118.546 114.554 0.269 0.000 2.841 279 T HA 0.392 4.742 4.350 0.000 0.000 0.285 279 T C -1.132 173.643 174.700 0.124 0.000 0.991 279 T CA -0.650 61.573 62.100 0.205 0.000 0.966 279 T CB 1.380 70.424 68.868 0.292 0.000 0.962 279 T HN 0.640 nan 8.240 nan 0.000 0.438 280 E N 2.291 122.545 120.200 0.091 0.000 2.089 280 E HA 0.363 4.713 4.350 0.000 0.000 0.284 280 E C -0.593 176.052 176.600 0.075 0.000 1.023 280 E CA -0.465 55.979 56.400 0.073 0.000 0.819 280 E CB 1.214 30.949 29.700 0.058 0.000 1.076 280 E HN 0.286 nan 8.360 nan 0.000 0.396 281 V N 4.863 124.818 119.914 0.068 0.000 2.406 281 V HA 0.178 4.298 4.120 0.000 0.000 0.272 281 V C 0.177 176.320 176.094 0.082 0.000 1.043 281 V CA -0.374 61.969 62.300 0.072 0.000 0.915 281 V CB 0.793 32.643 31.823 0.045 0.000 0.988 281 V HN 0.522 nan 8.190 nan 0.000 0.466 282 K N 3.191 123.671 120.400 0.132 0.000 2.203 282 K HA 0.828 5.148 4.320 0.000 0.000 0.251 282 K C 0.084 176.801 176.600 0.194 0.000 0.944 282 K CA -0.577 55.804 56.287 0.155 0.000 0.829 282 K CB 2.463 35.055 32.500 0.152 0.000 1.125 282 K HN 0.834 nan 8.250 nan 0.000 0.430 283 G N 0.839 109.715 108.800 0.127 0.000 2.694 283 G HA2 0.412 4.373 3.960 0.000 0.000 0.290 283 G HA3 0.412 4.373 3.960 0.000 0.000 0.290 283 G C -1.402 173.514 174.900 0.027 0.000 1.386 283 G CA -0.452 44.679 45.100 0.052 0.000 0.872 283 G HN 0.351 nan 8.290 nan 0.000 0.475 284 E N 0.545 120.682 120.200 -0.106 0.000 2.218 284 E HA 0.361 4.711 4.350 0.000 0.000 0.263 284 E C -0.320 176.093 176.600 -0.311 0.000 0.879 284 E CA -0.486 55.807 56.400 -0.179 0.000 0.762 284 E CB 2.383 31.950 29.700 -0.222 0.000 1.166 284 E HN 0.343 nan 8.360 nan 0.000 0.415 285 L N 2.467 123.634 121.223 -0.094 0.000 2.452 285 L HA 0.181 4.521 4.340 0.000 0.000 0.267 285 L C 1.748 178.670 176.870 0.087 0.000 1.188 285 L CA -0.009 54.825 54.840 -0.009 0.000 0.821 285 L CB 0.651 42.733 42.059 0.040 0.000 1.102 285 L HN 0.392 nan 8.230 nan 0.000 0.470 286 K N 0.709 121.193 120.400 0.141 0.000 2.116 286 K HA -0.022 4.298 4.320 0.000 0.000 0.203 286 K C 0.453 177.133 176.600 0.134 0.000 1.052 286 K CA 0.728 57.138 56.287 0.205 0.000 0.952 286 K CB 0.025 32.605 32.500 0.134 0.000 0.729 286 K HN 0.400 nan 8.250 nan 0.000 0.446 287 N N 0.237 119.001 118.700 0.106 0.000 2.442 287 N HA 0.156 4.896 4.740 0.000 0.000 0.274 287 N C -2.447 173.100 175.510 0.062 0.000 1.002 287 N CA -2.179 50.917 53.050 0.077 0.000 0.910 287 N CB 1.770 40.303 38.487 0.076 0.000 1.244 287 N HN -0.263 nan 8.380 nan 0.000 0.492 288 P HA -0.008 nan 4.420 nan 0.000 0.222 288 P C 0.407 177.718 177.300 0.019 0.000 1.147 288 P CA 0.924 64.044 63.100 0.033 0.000 0.790 288 P CB 0.393 32.110 31.700 0.028 0.000 0.780 289 N N -1.306 117.406 118.700 0.021 0.000 2.521 289 N HA -0.012 4.729 4.740 0.000 0.000 0.188 289 N C 0.111 175.622 175.510 0.003 0.000 1.146 289 N CA 0.659 53.714 53.050 0.009 0.000 0.893 289 N CB -0.511 37.983 38.487 0.011 0.000 0.975 289 N HN 0.137 nan 8.380 nan 0.000 0.451 290 T N 1.328 115.889 114.554 0.011 0.000 2.779 290 T HA 0.156 4.506 4.350 0.000 0.000 0.296 290 T C 0.756 175.416 174.700 -0.066 0.000 0.938 290 T CA -0.363 61.727 62.100 -0.016 0.000 1.119 290 T CB 0.660 69.532 68.868 0.007 0.000 0.891 290 T HN 0.163 nan 8.240 nan 0.000 0.526 291 S N 2.243 117.887 115.700 -0.095 0.000 2.646 291 S HA 0.283 4.753 4.470 0.000 0.000 0.276 291 S C 1.799 176.318 174.600 -0.135 0.000 1.222 291 S CA -0.327 57.814 58.200 -0.099 0.000 1.014 291 S CB 1.314 64.458 63.200 -0.094 0.000 0.991 291 S HN 0.694 nan 8.310 nan 0.000 0.533 292 S N 1.517 117.161 115.700 -0.093 0.000 2.383 292 S HA -0.181 4.289 4.470 0.000 0.000 0.229 292 S C 1.706 176.217 174.600 -0.149 0.000 1.030 292 S CA 1.222 59.385 58.200 -0.061 0.000 1.002 292 S CB -0.908 62.292 63.200 -0.001 0.000 0.829 292 S HN 0.756 nan 8.310 nan 0.000 0.467 293 L N 1.950 123.067 121.223 -0.176 0.000 2.093 293 L HA 0.102 4.442 4.340 0.000 0.000 0.208 293 L C 2.544 179.155 176.870 -0.432 0.000 1.085 293 L CA 2.192 56.729 54.840 -0.505 0.000 0.755 293 L CB -0.939 40.905 42.059 -0.359 0.000 0.904 293 L HN 0.507 nan 8.230 nan 0.000 0.435 294 E N -0.549 119.475 120.200 -0.294 0.000 2.077 294 E HA -0.224 4.126 4.350 0.000 0.000 0.193 294 E C 2.196 178.577 176.600 -0.365 0.000 0.989 294 E CA 1.503 57.742 56.400 -0.267 0.000 0.800 294 E CB -0.190 29.385 29.700 -0.208 0.000 0.746 294 E HN 0.602 nan 8.360 nan 0.000 0.452 295 L N 0.405 121.376 121.223 -0.420 0.000 2.083 295 L HA -0.146 4.194 4.340 0.000 0.000 0.209 295 L C 2.668 179.363 176.870 -0.292 0.000 1.083 295 L CA 1.045 55.628 54.840 -0.429 0.000 0.752 295 L CB -0.469 41.383 42.059 -0.344 0.000 0.899 295 L HN 0.195 nan 8.230 nan 0.000 0.433 296 A N 0.401 123.019 122.820 -0.336 0.000 1.902 296 A HA -0.182 4.138 4.320 0.000 0.000 0.217 296 A C 2.243 179.681 177.584 -0.243 0.000 1.181 296 A CA 1.639 53.476 52.037 -0.333 0.000 0.623 296 A CB -0.685 17.899 19.000 -0.694 0.000 0.818 296 A HN 0.351 nan 8.150 nan 0.000 0.443 297 I N -0.258 120.152 120.570 -0.267 0.000 2.286 297 I HA -0.256 3.914 4.170 0.000 0.000 0.248 297 I C 2.894 178.966 176.117 -0.075 0.000 1.115 297 I CA 0.962 62.179 61.300 -0.140 0.000 1.392 297 I CB -0.244 37.682 38.000 -0.123 0.000 1.065 297 I HN 0.351 nan 8.210 nan 0.000 0.418 298 A N 0.451 123.214 122.820 -0.094 0.000 2.019 298 A HA -0.121 4.199 4.320 0.000 0.000 0.219 298 A C 2.200 179.770 177.584 -0.023 0.000 1.164 298 A CA 1.417 53.445 52.037 -0.016 0.000 0.644 298 A CB -0.600 18.435 19.000 0.058 0.000 0.805 298 A HN 0.428 nan 8.150 nan 0.000 0.449 299 L N -1.615 119.579 121.223 -0.048 0.000 2.477 299 L HA 0.099 4.440 4.340 0.000 0.000 0.220 299 L C 0.948 177.809 176.870 -0.016 0.000 1.106 299 L CA -0.029 54.792 54.840 -0.032 0.000 0.851 299 L CB -0.095 41.941 42.059 -0.037 0.000 0.994 299 L HN 0.568 nan 8.230 nan 0.000 0.462 300 H N 1.777 120.775 119.070 -0.119 0.000 2.473 300 H HA 0.346 4.902 4.556 0.000 0.000 0.327 300 H C -2.487 172.757 175.328 -0.141 0.000 1.105 300 H CA -2.387 53.586 56.048 -0.124 0.000 1.280 300 H CB 1.222 30.897 29.762 -0.145 0.000 1.450 300 H HN -0.194 nan 8.280 nan 0.000 0.492 301 P HA 0.183 nan 4.420 nan 0.000 0.287 301 P C -0.603 176.587 177.300 -0.184 0.000 1.270 301 P CA -0.657 62.140 63.100 -0.505 0.000 0.844 301 P CB 1.424 32.795 31.700 -0.548 0.000 1.068 302 T N -1.184 113.332 114.554 -0.063 0.000 2.849 302 T HA 0.262 4.612 4.350 0.000 0.000 0.284 302 T C -1.834 172.839 174.700 -0.045 0.000 1.004 302 T CA -1.697 60.370 62.100 -0.055 0.000 1.021 302 T CB -0.123 68.721 68.868 -0.040 0.000 1.013 302 T HN 0.157 nan 8.240 nan 0.000 0.527 303 P HA 0.012 nan 4.420 nan 0.000 0.221 303 P C 1.548 178.839 177.300 -0.016 0.000 1.145 303 P CA 1.016 64.098 63.100 -0.031 0.000 0.795 303 P CB -0.333 31.343 31.700 -0.042 0.000 0.775 304 A N -0.283 122.523 122.820 -0.023 0.000 1.986 304 A HA -0.174 4.146 4.320 0.000 0.000 0.220 304 A C 2.062 179.648 177.584 0.002 0.000 1.171 304 A CA 2.457 54.488 52.037 -0.009 0.000 0.640 304 A CB -1.457 17.531 19.000 -0.019 0.000 0.811 304 A HN 0.260 nan 8.150 nan 0.000 0.451 305 V N -5.654 114.260 119.914 -0.000 0.000 3.645 305 V HA 0.197 4.317 4.120 0.000 0.000 0.275 305 V C 1.535 177.654 176.094 0.041 0.000 1.356 305 V CA 0.538 62.830 62.300 -0.014 0.000 1.051 305 V CB -0.693 31.094 31.823 -0.059 0.000 0.828 305 V HN 0.561 nan 8.190 nan 0.000 0.441 306 C N 0.185 119.534 119.300 0.081 0.000 3.106 306 C HA 0.897 5.358 4.460 0.000 0.000 0.108 306 C C 1.234 176.258 174.990 0.057 0.000 2.515 306 C CA 0.833 59.932 59.018 0.135 0.000 1.060 306 C CB 0.831 28.639 27.740 0.113 0.000 1.835 306 C HN 0.978 nan 8.230 nan 0.000 0.578 307 G N -0.502 108.309 108.800 0.018 0.000 2.315 307 G HA2 0.424 4.385 3.960 0.000 0.000 0.294 307 G HA3 0.424 4.385 3.960 0.000 0.000 0.294 307 G C -1.563 173.328 174.900 -0.015 0.000 1.300 307 G CA 0.208 45.311 45.100 0.005 0.000 0.843 307 G HN 0.538 nan 8.290 nan 0.000 0.527 308 T N 2.747 117.295 114.554 -0.011 0.000 2.840 308 T HA 0.680 5.030 4.350 0.000 0.000 0.287 308 T C -2.524 172.170 174.700 -0.011 0.000 0.991 308 T CA -0.756 61.334 62.100 -0.017 0.000 0.964 308 T CB 2.223 71.083 68.868 -0.013 0.000 0.954 308 T HN 0.410 nan 8.240 nan 0.000 0.438 312 E N 0.534 120.711 120.200 -0.038 0.000 2.028 312 E HA -0.038 4.312 4.350 0.000 0.000 0.191 312 E C 2.053 178.644 176.600 -0.016 0.000 0.988 312 E CA 1.251 57.635 56.400 -0.025 0.000 0.799 312 E CB -0.468 29.219 29.700 -0.021 0.000 0.755 312 E HN 0.414 nan 8.360 nan 0.000 0.447 313 A N 0.890 123.703 122.820 -0.013 0.000 1.972 313 A HA -0.156 4.164 4.320 0.000 0.000 0.219 313 A C 2.192 179.791 177.584 0.026 0.000 1.169 313 A CA 1.842 53.882 52.037 0.005 0.000 0.635 313 A CB -0.597 18.408 19.000 0.008 0.000 0.810 313 A HN 0.267 nan 8.150 nan 0.000 0.446 314 R N -0.459 120.050 120.500 0.016 0.000 2.096 314 R HA -0.146 4.194 4.340 0.000 0.000 0.235 314 R C 2.265 178.585 176.300 0.033 0.000 1.127 314 R CA 1.877 58.006 56.100 0.047 0.000 0.968 314 R CB -0.369 29.894 30.300 -0.062 0.000 0.861 314 R HN 0.580 nan 8.270 nan 0.000 0.440 315 E N 0.529 120.727 120.200 -0.002 0.000 2.031 315 E HA -0.141 4.209 4.350 0.000 0.000 0.193 315 E C 1.926 178.525 176.600 -0.001 0.000 0.994 315 E CA 1.339 57.734 56.400 -0.007 0.000 0.800 315 E CB -0.966 28.724 29.700 -0.017 0.000 0.752 315 E HN 0.621 nan 8.360 nan 0.000 0.447 316 A N 0.555 123.375 122.820 -0.000 0.000 1.917 316 A HA -0.102 4.218 4.320 0.000 0.000 0.219 316 A C 2.538 180.121 177.584 -0.002 0.000 1.182 316 A CA 1.815 53.851 52.037 -0.002 0.000 0.633 316 A CB -0.568 18.430 19.000 -0.002 0.000 0.819 316 A HN 0.543 nan 8.150 nan 0.000 0.448 317 I N -0.590 119.989 120.570 0.016 0.000 2.179 317 I HA -0.290 3.880 4.170 0.000 0.000 0.242 317 I C 2.755 178.858 176.117 -0.022 0.000 1.088 317 I CA 1.365 62.668 61.300 0.006 0.000 1.357 317 I CB -0.374 37.660 38.000 0.057 0.000 1.051 317 I HN 0.359 nan 8.210 nan 0.000 0.409 318 Q N 0.367 120.172 119.800 0.008 0.000 2.084 318 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 318 Q C 2.378 178.359 176.000 -0.032 0.000 0.978 318 Q CA 1.416 57.211 55.803 -0.013 0.000 0.844 318 Q CB -0.561 28.181 28.738 0.007 0.000 0.898 318 Q HN 0.317 nan 8.270 nan 0.000 0.426 319 K N 0.651 121.039 120.400 -0.020 0.000 2.057 319 K HA -0.007 4.313 4.320 0.000 0.000 0.206 319 K C 2.149 178.737 176.600 -0.021 0.000 1.050 319 K CA 0.694 56.971 56.287 -0.017 0.000 0.935 319 K CB -0.415 32.078 32.500 -0.011 0.000 0.715 319 K HN 0.331 nan 8.250 nan 0.000 0.439 320 I N 0.151 120.704 120.570 -0.028 0.000 2.480 320 I HA 0.007 4.177 4.170 0.000 0.000 0.251 320 I C 0.860 176.959 176.117 -0.029 0.000 1.124 320 I CA 0.685 61.970 61.300 -0.025 0.000 1.444 320 I CB -0.008 37.975 38.000 -0.029 0.000 1.098 320 I HN 0.280 nan 8.210 nan 0.000 0.428 321 E N 2.915 123.064 120.200 -0.085 0.000 2.259 321 E HA 0.087 4.437 4.350 0.000 0.000 0.281 321 E C -1.736 174.775 176.600 -0.149 0.000 1.037 321 E CA -1.532 54.764 56.400 -0.174 0.000 0.854 321 E CB 0.801 30.230 29.700 -0.451 0.000 1.051 321 E HN 0.105 nan 8.360 nan 0.000 0.409 322 P HA 0.068 nan 4.420 nan 0.000 0.256 322 P C -0.912 176.518 177.300 0.218 0.000 1.384 322 P CA 0.170 63.338 63.100 0.112 0.000 0.879 322 P CB -0.254 31.553 31.700 0.178 0.000 1.403 323 F N -2.237 117.757 119.950 0.074 0.000 2.664 323 F HA 0.670 5.197 4.527 0.000 0.000 0.317 323 F C -1.012 174.847 175.800 0.099 0.000 1.108 323 F CA -1.551 56.498 58.000 0.082 0.000 0.957 323 F CB 0.595 39.646 39.000 0.084 0.000 1.365 323 F HN -0.412 nan 8.300 nan 0.000 0.475 324 D N 1.026 121.544 120.400 0.196 0.000 2.198 324 D HA 0.332 4.972 4.640 0.000 0.000 0.245 324 D C 0.673 177.154 176.300 0.302 0.000 1.079 324 D CA -0.431 53.633 54.000 0.106 0.000 0.854 324 D CB 2.124 42.990 40.800 0.110 0.000 1.148 324 D HN 0.595 nan 8.370 nan 0.000 0.456 325 R N 1.449 122.046 120.500 0.161 0.000 2.120 325 R HA -0.107 4.233 4.340 0.000 0.000 0.234 325 R C 0.618 177.039 176.300 0.203 0.000 1.123 325 R CA 0.750 57.022 56.100 0.286 0.000 0.975 325 R CB 0.067 30.383 30.300 0.026 0.000 0.866 325 R HN 0.608 nan 8.270 nan 0.000 0.446 326 E N -2.037 118.227 120.200 0.107 0.000 3.221 326 E HA -0.328 4.022 4.350 0.000 0.000 0.410 326 E C 0.969 177.461 176.600 -0.179 0.000 1.531 326 E CA 2.034 58.391 56.400 -0.072 0.000 1.285 326 E CB -1.309 28.424 29.700 0.056 0.000 1.542 326 E HN 0.222 nan 8.360 nan 0.000 0.482 327 F N 0.274 120.283 119.950 0.099 0.000 2.710 327 F HA 0.170 4.697 4.527 0.000 0.000 0.298 327 F C 1.164 176.975 175.800 0.019 0.000 1.137 327 F CA 0.293 58.331 58.000 0.064 0.000 1.444 327 F CB 0.087 39.131 39.000 0.074 0.000 1.111 327 F HN 0.116 nan 8.300 nan 0.000 0.580 328 F N 2.288 122.153 119.950 -0.141 0.000 2.504 328 F HA 0.274 4.802 4.527 0.000 0.000 0.369 328 F C 1.300 177.041 175.800 -0.099 0.000 1.082 328 F CA -0.009 57.818 58.000 -0.289 0.000 1.216 328 F CB 0.219 38.672 39.000 -0.911 0.000 1.108 328 F HN 0.222 nan 8.300 nan 0.000 0.554 329 T N 1.564 115.714 114.554 -0.672 0.000 6.157 329 T HA -0.187 4.163 4.350 0.000 0.000 0.281 329 T C 0.481 175.230 174.700 0.082 0.000 2.039 329 T CA 0.523 62.368 62.100 -0.426 0.000 3.312 329 T CB -2.563 65.924 68.868 -0.635 0.000 1.589 329 T HN 1.407 nan 8.240 nan 0.000 1.129 333 G N -1.140 107.378 108.800 -0.469 0.000 2.441 333 G HA2 0.403 4.363 3.960 0.000 0.000 0.222 333 G HA3 0.403 4.363 3.960 0.000 0.000 0.222 333 G C -2.313 171.750 174.900 -1.396 0.000 1.254 333 G CA -0.101 44.253 45.100 -1.244 0.000 0.959 333 G HN 1.803 nan 8.290 nan 0.000 0.474 334 W N -0.272 119.943 121.300 -1.807 0.000 3.083 334 W HA 0.855 5.516 4.660 0.000 0.000 0.333 334 W C -1.004 175.059 176.519 -0.760 0.000 1.217 334 W CA -0.742 55.980 57.345 -1.038 0.000 1.170 334 W CB 1.160 30.200 29.460 -0.700 0.000 1.437 334 W HN 1.240 nan 8.180 nan 0.000 0.557 335 S N 1.087 116.705 115.700 -0.138 0.000 2.556 335 S HA 0.482 4.952 4.470 0.000 0.000 0.271 335 S C -1.299 173.392 174.600 0.152 0.000 1.135 335 S CA -0.408 57.736 58.200 -0.093 0.000 0.858 335 S CB 1.718 65.001 63.200 0.138 0.000 1.114 335 S HN 0.577 nan 8.310 nan 0.000 0.468 336 D N 1.602 122.083 120.400 0.134 0.000 2.525 336 D HA 0.348 4.988 4.640 0.000 0.000 0.249 336 D C 1.028 177.364 176.300 0.059 0.000 1.072 336 D CA -0.840 53.252 54.000 0.154 0.000 1.067 336 D CB 0.080 41.027 40.800 0.246 0.000 1.282 336 D HN 0.333 nan 8.370 nan 0.000 0.587 337 L N 0.522 121.769 121.223 0.040 0.000 2.131 337 L HA -0.034 4.307 4.340 0.000 0.000 0.210 337 L C 1.248 178.121 176.870 0.004 0.000 1.092 337 L CA 1.753 56.600 54.840 0.012 0.000 0.759 337 L CB -1.255 40.807 42.059 0.005 0.000 0.903 337 L HN 0.380 nan 8.230 nan 0.000 0.435 338 N N 0.264 118.970 118.700 0.010 0.000 2.309 338 N HA -0.030 4.710 4.740 0.000 0.000 0.182 338 N C 1.509 177.012 175.510 -0.013 0.000 1.018 338 N CA 1.244 54.293 53.050 -0.002 0.000 0.876 338 N CB -0.083 38.401 38.487 -0.005 0.000 0.972 338 N HN 0.552 nan 8.380 nan 0.000 0.434 339 G N -0.206 108.585 108.800 -0.014 0.000 2.192 339 G HA2 -0.182 3.779 3.960 0.000 0.000 0.193 339 G HA3 -0.182 3.779 3.960 0.000 0.000 0.193 339 G C -0.401 174.459 174.900 -0.067 0.000 0.999 339 G CA -0.167 44.910 45.100 -0.037 0.000 0.659 339 G HN 0.228 nan 8.290 nan 0.000 0.503 340 D N 0.598 120.960 120.400 -0.064 0.000 2.377 340 D HA 0.623 5.263 4.640 0.000 0.000 0.245 340 D C 0.914 176.961 176.300 -0.421 0.000 1.196 340 D CA 1.400 55.321 54.000 -0.131 0.000 0.962 340 D CB 1.350 42.133 40.800 -0.029 0.000 1.127 340 D HN 1.105 nan 8.370 nan 0.000 0.471 341 G N -0.406 107.944 108.800 -0.750 0.000 2.315 341 G HA2 0.395 4.356 3.960 0.000 0.000 0.294 341 G HA3 0.395 4.356 3.960 0.000 0.000 0.294 341 G C -1.773 172.400 174.900 -1.211 0.000 1.300 341 G CA -0.768 43.265 45.100 -1.779 0.000 0.843 341 G HN 0.366 nan 8.290 nan 0.000 0.527 342 E N -0.882 118.372 120.200 -1.576 0.000 2.278 342 E HA 0.460 4.810 4.350 0.000 0.000 0.272 342 E C -1.850 174.164 176.600 -0.976 0.000 0.890 342 E CA -0.446 55.527 56.400 -0.712 0.000 0.770 342 E CB 2.459 32.132 29.700 -0.045 0.000 1.212 342 E HN 0.452 nan 8.360 nan 0.000 0.415 343 W N 3.996 125.113 121.300 -0.306 0.000 2.739 343 W HA 0.528 5.188 4.660 0.000 0.000 0.331 343 W C -0.236 176.149 176.519 -0.224 0.000 1.049 343 W CA -0.661 56.526 57.345 -0.264 0.000 1.234 343 W CB 1.076 30.381 29.460 -0.259 0.000 1.404 343 W HN 0.434 nan 8.180 nan 0.000 0.477 344 I N -0.108 120.453 120.570 -0.016 0.000 2.863 344 I HA 0.808 4.978 4.170 0.000 0.000 0.311 344 I C -0.720 175.359 176.117 -0.062 0.000 1.026 344 I CA -1.378 59.846 61.300 -0.127 0.000 1.077 344 I CB 1.368 39.261 38.000 -0.179 0.000 1.262 344 I HN 0.027 nan 8.210 nan 0.000 0.461 345 V N 2.449 122.327 119.914 -0.059 0.000 2.461 345 V HA 0.201 4.321 4.120 0.000 0.000 0.275 345 V C 0.343 176.420 176.094 -0.029 0.000 1.047 345 V CA -0.260 62.020 62.300 -0.034 0.000 0.955 345 V CB 0.922 32.732 31.823 -0.022 0.000 0.988 345 V HN 0.845 nan 8.190 nan 0.000 0.471 346 T N 7.783 122.307 114.554 -0.050 0.000 3.185 346 T HA 0.454 4.804 4.350 0.000 0.000 0.287 346 T C 0.024 174.769 174.700 0.075 0.000 1.051 346 T CA 0.211 62.297 62.100 -0.024 0.000 1.051 346 T CB -0.886 67.954 68.868 -0.045 0.000 1.034 346 T HN 0.604 nan 8.240 nan 0.000 0.685 347 I N -1.575 119.109 120.570 0.191 0.000 3.239 347 I HA 0.699 4.870 4.170 0.000 0.000 0.314 347 I C -0.293 176.046 176.117 0.371 0.000 1.126 347 I CA -1.803 59.669 61.300 0.287 0.000 0.973 347 I CB 1.406 39.497 38.000 0.153 0.000 1.252 347 I HN 0.010 nan 8.210 nan 0.000 0.463 348 R N 0.190 120.902 120.500 0.353 0.000 3.333 348 R HA -0.153 4.187 4.340 0.000 0.000 0.256 348 R C -0.596 175.862 176.300 0.264 0.000 1.010 348 R CA 0.803 57.060 56.100 0.262 0.000 0.680 348 R CB -2.776 27.640 30.300 0.195 0.000 1.102 348 R HN 0.952 nan 8.270 nan 0.000 0.440 349 C N -3.349 116.166 119.300 0.358 0.000 3.108 349 C HA 1.005 5.465 4.460 0.000 0.000 0.321 349 C C 0.047 175.255 174.990 0.362 0.000 1.357 349 C CA -0.507 58.728 59.018 0.361 0.000 1.562 349 C CB 2.615 30.696 27.740 0.570 0.000 2.003 349 C HN 0.704 nan 8.230 nan 0.000 0.460 350 A N 0.077 123.084 122.820 0.312 0.000 2.520 350 A HA 0.721 5.041 4.320 0.000 0.000 0.298 350 A C -1.056 176.703 177.584 0.291 0.000 1.051 350 A CA -0.321 51.881 52.037 0.276 0.000 0.690 350 A CB 0.952 20.012 19.000 0.100 0.000 1.281 350 A HN 0.884 nan 8.150 nan 0.000 0.402 351 E N 0.915 121.304 120.200 0.314 0.000 2.229 351 E HA 0.439 4.789 4.350 0.000 0.000 0.283 351 E C -0.915 175.765 176.600 0.134 0.000 1.030 351 E CA -0.312 56.231 56.400 0.239 0.000 0.836 351 E CB 1.567 31.431 29.700 0.274 0.000 1.068 351 E HN 0.369 nan 8.360 nan 0.000 0.401 352 V N 3.692 123.677 119.914 0.118 0.000 2.417 352 V HA 0.285 4.405 4.120 0.000 0.000 0.291 352 V C -0.260 175.884 176.094 0.084 0.000 1.024 352 V CA -0.658 61.692 62.300 0.084 0.000 0.861 352 V CB 1.480 33.348 31.823 0.076 0.000 0.985 352 V HN 0.650 nan 8.190 nan 0.000 0.436 353 Q N 2.957 122.797 119.800 0.067 0.000 2.295 353 Q HA 0.450 4.791 4.340 0.000 0.000 0.259 353 Q C 0.118 176.146 176.000 0.048 0.000 0.966 353 Q CA -0.152 55.688 55.803 0.062 0.000 0.763 353 Q CB 1.484 30.260 28.738 0.064 0.000 1.283 353 Q HN 0.866 nan 8.270 nan 0.000 0.445 354 E N 2.691 122.918 120.200 0.044 0.000 3.686 354 E HA -0.323 4.028 4.350 0.000 0.000 0.288 354 E C -0.472 176.147 176.600 0.031 0.000 1.279 354 E CA 2.854 59.274 56.400 0.033 0.000 1.885 354 E CB -1.083 28.632 29.700 0.026 0.000 1.723 354 E HN 0.883 nan 8.360 nan 0.000 0.357 355 N N -0.128 118.588 118.700 0.027 0.000 2.241 355 N HA 0.192 4.932 4.740 0.000 0.000 0.238 355 N C -0.833 174.699 175.510 0.037 0.000 1.244 355 N CA 0.710 53.776 53.050 0.027 0.000 0.880 355 N CB 0.605 39.093 38.487 0.002 0.000 1.179 355 N HN 0.457 nan 8.380 nan 0.000 0.513 356 T N -1.134 113.441 114.554 0.034 0.000 2.824 356 T HA 0.723 5.074 4.350 0.000 0.000 0.282 356 T C -0.633 174.080 174.700 0.021 0.000 0.993 356 T CA -0.735 61.380 62.100 0.025 0.000 0.967 356 T CB 1.701 70.576 68.868 0.011 0.000 0.960 356 T HN -0.039 nan 8.240 nan 0.000 0.441 357 L N 2.312 123.533 121.223 -0.003 0.000 2.334 357 L HA 0.644 4.984 4.340 0.000 0.000 0.276 357 L C 0.321 177.134 176.870 -0.096 0.000 1.014 357 L CA -0.864 53.959 54.840 -0.029 0.000 0.815 357 L CB 1.918 43.948 42.059 -0.048 0.000 1.268 357 L HN 0.731 nan 8.230 nan 0.000 0.428 358 R N 2.551 122.983 120.500 -0.113 0.000 2.246 358 R HA 0.608 4.948 4.340 0.000 0.000 0.332 358 R C -1.342 174.726 176.300 -0.388 0.000 0.974 358 R CA -0.685 55.237 56.100 -0.298 0.000 0.837 358 R CB 0.629 30.729 30.300 -0.333 0.000 1.145 358 R HN 0.441 nan 8.270 nan 0.000 0.467 359 L N 4.744 125.724 121.223 -0.406 0.000 2.399 359 L HA 0.421 4.761 4.340 0.000 0.000 0.266 359 L C -0.763 175.890 176.870 -0.361 0.000 1.114 359 L CA -0.033 54.659 54.840 -0.247 0.000 0.804 359 L CB 0.830 42.748 42.059 -0.236 0.000 1.146 359 L HN 0.538 nan 8.230 nan 0.000 0.451 360 Y N 0.455 120.761 120.300 0.010 0.000 2.553 360 Y HA 0.827 5.378 4.550 0.000 0.000 0.347 360 Y C -0.078 175.556 175.900 -0.445 0.000 1.019 360 Y CA -1.119 56.746 58.100 -0.391 0.000 1.032 360 Y CB 2.135 39.744 38.460 -1.418 0.000 1.284 360 Y HN 0.633 nan 8.280 nan 0.000 0.466 361 A N 0.638 123.146 122.820 -0.519 0.000 2.594 361 A HA 0.830 5.150 4.320 0.000 0.000 0.296 361 A C -1.034 176.490 177.584 -0.101 0.000 1.061 361 A CA -0.149 51.637 52.037 -0.419 0.000 0.689 361 A CB 1.323 19.660 19.000 -1.105 0.000 1.280 361 A HN 1.106 nan 8.150 nan 0.000 0.406 362 G N -0.795 108.099 108.800 0.157 0.000 2.680 362 G HA2 0.924 4.884 3.960 0.000 0.000 0.290 362 G HA3 0.924 4.884 3.960 0.000 0.000 0.290 362 G C -0.821 174.161 174.900 0.136 0.000 1.355 362 G CA -0.044 45.179 45.100 0.206 0.000 0.903 362 G HN 2.101 nan 8.290 nan 0.000 0.474 363 A N -0.459 122.460 122.820 0.165 0.000 2.429 363 A HA 0.766 5.086 4.320 0.000 0.000 0.289 363 A C 0.218 177.875 177.584 0.122 0.000 1.043 363 A CA 0.049 52.170 52.037 0.140 0.000 0.722 363 A CB 1.225 20.321 19.000 0.160 0.000 1.243 363 A HN 1.844 nan 8.150 nan 0.000 0.415 364 G N 0.811 109.669 108.800 0.097 0.000 2.305 364 G HA2 0.466 4.426 3.960 0.000 0.000 0.243 364 G HA3 0.466 4.426 3.960 0.000 0.000 0.243 364 G C -0.273 174.669 174.900 0.070 0.000 1.288 364 G CA 0.174 45.320 45.100 0.076 0.000 0.901 364 G HN 0.985 nan 8.290 nan 0.000 0.516 365 V N 3.255 123.200 119.914 0.052 0.000 2.555 365 V HA 0.634 4.754 4.120 0.000 0.000 0.302 365 V C 0.395 176.510 176.094 0.035 0.000 1.038 365 V CA -0.499 61.824 62.300 0.037 0.000 0.887 365 V CB 1.589 33.419 31.823 0.013 0.000 0.991 365 V HN 0.849 nan 8.190 nan 0.000 0.434 366 V N 1.509 121.444 119.914 0.035 0.000 3.156 366 V HA 0.857 4.977 4.120 0.000 0.000 0.311 366 V C 1.065 177.173 176.094 0.023 0.000 1.208 366 V CA -0.071 62.250 62.300 0.036 0.000 1.063 366 V CB 1.224 33.079 31.823 0.054 0.000 1.098 366 V HN 0.801 nan 8.190 nan 0.000 0.452 367 A N -0.422 122.409 122.820 0.019 0.000 1.908 367 A HA 0.025 4.346 4.320 0.000 0.000 0.218 367 A C 1.837 179.426 177.584 0.009 0.000 1.181 367 A CA 2.301 54.344 52.037 0.010 0.000 0.627 367 A CB -1.018 17.985 19.000 0.005 0.000 0.818 367 A HN 1.553 nan 8.150 nan 0.000 0.445 368 E N 0.272 120.479 120.200 0.012 0.000 2.359 368 E HA 0.440 4.790 4.350 0.000 0.000 0.187 368 E C 0.450 177.061 176.600 0.018 0.000 1.081 368 E CA 0.347 56.753 56.400 0.011 0.000 0.929 368 E CB -0.696 29.009 29.700 0.007 0.000 1.086 368 E HN 0.530 nan 8.360 nan 0.000 0.462 369 S N -0.019 115.693 115.700 0.020 0.000 2.652 369 S HA 0.663 5.133 4.470 0.000 0.000 0.270 369 S C 0.414 175.027 174.600 0.022 0.000 1.243 369 S CA 0.085 58.300 58.200 0.025 0.000 0.999 369 S CB 1.362 64.578 63.200 0.026 0.000 0.973 369 S HN 0.710 nan 8.310 nan 0.000 0.544 370 K N 1.868 122.286 120.400 0.030 0.000 2.483 370 K HA 0.542 4.862 4.320 0.000 0.000 0.256 370 K C -2.630 173.993 176.600 0.038 0.000 0.961 370 K CA -2.105 54.200 56.287 0.030 0.000 0.873 370 K CB 0.296 32.816 32.500 0.034 0.000 1.107 370 K HN 0.361 nan 8.250 nan 0.000 0.432 371 P HA -0.284 nan 4.420 nan 0.000 0.218 371 P C 1.211 178.558 177.300 0.079 0.000 1.154 371 P CA 1.575 64.693 63.100 0.031 0.000 0.872 371 P CB 0.487 32.197 31.700 0.017 0.000 0.790 372 E N -0.166 120.080 120.200 0.077 0.000 2.106 372 E HA -0.171 4.179 4.350 0.000 0.000 0.192 372 E C 1.396 178.057 176.600 0.102 0.000 0.984 372 E CA 1.500 57.958 56.400 0.097 0.000 0.806 372 E CB -1.076 28.669 29.700 0.076 0.000 0.750 372 E HN 0.150 nan 8.360 nan 0.000 0.458 373 D N 0.396 120.846 120.400 0.084 0.000 2.219 373 D HA -0.123 4.517 4.640 0.000 0.000 0.205 373 D C 1.517 177.877 176.300 0.099 0.000 0.970 373 D CA 0.815 54.863 54.000 0.081 0.000 0.851 373 D CB -0.027 40.812 40.800 0.065 0.000 0.943 373 D HN 0.287 nan 8.370 nan 0.000 0.488 374 E N 0.078 120.354 120.200 0.127 0.000 2.112 374 E HA -0.056 4.294 4.350 0.000 0.000 0.190 374 E C 2.133 178.873 176.600 0.234 0.000 0.979 374 E CA 0.060 56.567 56.400 0.179 0.000 0.814 374 E CB -0.269 29.544 29.700 0.188 0.000 0.762 374 E HN 0.247 nan 8.360 nan 0.000 0.460 375 L N 1.240 122.614 121.223 0.252 0.000 2.056 375 L HA -0.045 4.296 4.340 0.000 0.000 0.207 375 L C 2.201 179.107 176.870 0.061 0.000 1.078 375 L CA 1.968 56.901 54.840 0.155 0.000 0.749 375 L CB -0.663 41.516 42.059 0.200 0.000 0.901 375 L HN 0.035 nan 8.230 nan 0.000 0.433 376 A N -0.892 121.982 122.820 0.091 0.000 1.898 376 A HA -0.243 4.077 4.320 0.000 0.000 0.216 376 A C 2.327 179.939 177.584 0.047 0.000 1.181 376 A CA 1.651 53.731 52.037 0.073 0.000 0.620 376 A CB -0.726 18.319 19.000 0.075 0.000 0.819 376 A HN 0.620 nan 8.150 nan 0.000 0.442 377 E N -0.089 120.142 120.200 0.050 0.000 2.077 377 E HA -0.206 4.144 4.350 0.000 0.000 0.193 377 E C 2.133 178.721 176.600 -0.020 0.000 0.989 377 E CA 2.045 58.468 56.400 0.037 0.000 0.800 377 E CB -0.234 29.506 29.700 0.066 0.000 0.746 377 E HN 0.742 nan 8.360 nan 0.000 0.452 378 T N -1.618 112.891 114.554 -0.073 0.000 2.746 378 T HA -0.090 4.260 4.350 0.000 0.000 0.267 378 T C 2.158 176.665 174.700 -0.320 0.000 1.039 378 T CA 1.532 63.477 62.100 -0.259 0.000 1.142 378 T CB -0.400 68.242 68.868 -0.377 0.000 0.866 378 T HN -0.004 nan 8.240 nan 0.000 0.444 379 S N 1.986 117.640 115.700 -0.078 0.000 2.382 379 S HA 0.103 4.574 4.470 0.000 0.000 0.228 379 S C 2.602 177.252 174.600 0.082 0.000 1.027 379 S CA 0.949 59.219 58.200 0.116 0.000 0.991 379 S CB -0.802 62.473 63.200 0.125 0.000 0.823 379 S HN 0.788 nan 8.310 nan 0.000 0.469 380 A N 1.731 124.565 122.820 0.022 0.000 1.930 380 A HA -0.068 4.252 4.320 0.000 0.000 0.217 380 A C 2.039 179.627 177.584 0.007 0.000 1.175 380 A CA 1.271 53.322 52.037 0.023 0.000 0.627 380 A CB -0.367 18.646 19.000 0.021 0.000 0.815 380 A HN 0.423 nan 8.150 nan 0.000 0.443 381 K N -1.325 119.046 120.400 -0.050 0.000 2.148 381 K HA -0.070 4.250 4.320 0.000 0.000 0.204 381 K C 1.335 177.905 176.600 -0.051 0.000 1.050 381 K CA 1.184 57.435 56.287 -0.059 0.000 0.942 381 K CB -0.282 32.157 32.500 -0.102 0.000 0.724 381 K HN 0.459 nan 8.250 nan 0.000 0.446 382 F N 1.893 121.837 119.950 -0.010 0.000 2.451 382 F HA -0.124 4.404 4.527 0.000 0.000 0.299 382 F C 2.256 178.027 175.800 -0.048 0.000 1.101 382 F CA 0.848 58.821 58.000 -0.044 0.000 1.436 382 F CB -0.241 38.708 39.000 -0.086 0.000 1.074 382 F HN 0.002 nan 8.300 nan 0.000 0.553 383 Q N -0.119 119.755 119.800 0.125 0.000 2.170 383 Q HA -0.085 4.256 4.340 0.000 0.000 0.203 383 Q C 1.281 177.287 176.000 0.009 0.000 0.976 383 Q CA 0.918 56.747 55.803 0.044 0.000 0.858 383 Q CB -1.275 27.474 28.738 0.017 0.000 0.907 383 Q HN 0.270 nan 8.270 nan 0.000 0.433 387 K N 2.210 122.528 120.400 -0.135 0.000 2.063 387 K HA -0.040 4.280 4.320 0.000 0.000 0.208 387 K C 1.798 178.274 176.600 -0.208 0.000 1.048 387 K CA 2.192 58.375 56.287 -0.174 0.000 0.928 387 K CB -0.243 32.145 32.500 -0.186 0.000 0.713 387 K HN 0.340 nan 8.250 nan 0.000 0.442 388 A N 0.384 123.094 122.820 -0.183 0.000 2.015 388 A HA -0.023 4.297 4.320 0.000 0.000 0.219 388 A C 2.034 179.530 177.584 -0.148 0.000 1.163 388 A CA 1.329 53.269 52.037 -0.162 0.000 0.646 388 A CB -0.524 18.401 19.000 -0.124 0.000 0.806 388 A HN 0.345 nan 8.150 nan 0.000 0.448 389 L N -0.884 120.225 121.223 -0.190 0.000 2.610 389 L HA 0.147 4.487 4.340 0.000 0.000 0.232 389 L C 1.488 178.216 176.870 -0.237 0.000 1.149 389 L CA 0.508 55.196 54.840 -0.253 0.000 0.872 389 L CB -0.277 41.516 42.059 -0.443 0.000 0.992 389 L HN 0.559 nan 8.230 nan 0.000 0.447 390 G N 0.722 109.418 108.800 -0.174 0.000 2.272 390 G HA2 -0.272 3.688 3.960 0.000 0.000 0.280 390 G HA3 -0.272 3.688 3.960 0.000 0.000 0.280 390 G C 0.284 175.099 174.900 -0.142 0.000 1.067 390 G CA 0.163 45.193 45.100 -0.117 0.000 0.902 390 G HN 0.369 nan 8.290 nan 0.000 0.500 391 L N -0.875 120.231 121.223 -0.194 0.000 3.333 391 L HA 0.271 4.611 4.340 0.000 0.000 0.299 391 L C 1.637 178.431 176.870 -0.126 0.000 1.256 391 L CA -0.018 54.716 54.840 -0.177 0.000 1.037 391 L CB -0.757 41.130 42.059 -0.288 0.000 1.423 391 L HN 0.490 nan 8.230 nan 0.000 0.605 392 N N 0.000 118.634 118.700 -0.111 0.000 1.763 392 N HA 0.000 4.740 4.740 0.000 0.000 0.220 392 N CA 0.000 52.998 53.050 -0.087 0.000 0.885 392 N CB 0.000 38.431 38.487 -0.092 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667