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 3fey_1_C DATA FIRST_RESID 69 DATA SEQUENCE MNQGTVNWSV DDIVKGINSS NVENQLQATQ AARKLLSREK QPPIDNIIRA DATA SEQUENCE GLIPKFVSFL GRTDCSPIQF ESAWALTNIA SGTSEQTKAV VDGGAIPAFI DATA SEQUENCE SLLASPHAHI SEQAVWALGN IAGDGSVFRD LVIKYGAVDP LLALLAVXXX DATA SEQUENCE SSLACGYLRN LTWTLSNLCR NKNPAPPIDA VEQILPTLVR LLHHDDPEVL DATA SEQUENCE ADTCWAISYL TDGPNERIGM VVKTGVVPQL VKLLGASELP IVTPALRAIG DATA SEQUENCE NIVTGTDEQT QVVIDAGALA VFPSLLTNPK TNIQKEATWT MSNITAGRQD DATA SEQUENCE QIQQVVNHGL VPFLVSVLSK ADFKTQKEAV WAVTNYTSGG TVEQIVYLVH DATA SEQUENCE CGIIEPLMNL LTAKDTKIIL VILDAISNIF QAAEKLGETE KLSIMIEECG DATA SEQUENCE GLDKIEALQN HENESVYKAS LSLIEKYFSV E 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 69 M HA 0.000 nan 4.480 nan 0.000 0.227 69 M C 0.000 176.226 176.300 -0.123 0.000 1.140 69 M CA 0.000 55.229 55.300 -0.119 0.000 0.988 69 M CB 0.000 32.551 32.600 -0.081 0.000 1.302 70 N N 1.329 119.917 118.700 -0.187 0.000 2.483 70 N HA 0.289 5.038 4.740 0.015 0.000 0.269 70 N C -0.878 174.635 175.510 0.005 0.000 1.209 70 N CA -0.438 52.543 53.050 -0.115 0.000 0.969 70 N CB 0.922 39.235 38.487 -0.290 0.000 1.173 70 N HN 0.503 nan 8.380 nan 0.000 0.475 71 Q N 0.584 120.428 119.800 0.073 0.000 2.349 71 Q HA 0.374 4.723 4.340 0.015 0.000 0.254 71 Q C 0.809 176.901 176.000 0.153 0.000 0.980 71 Q CA 0.084 55.938 55.803 0.085 0.000 0.924 71 Q CB 0.092 28.866 28.738 0.060 0.000 1.209 71 Q HN 0.806 nan 8.270 nan 0.000 0.445 72 G N 2.928 111.821 108.800 0.155 0.000 2.672 72 G HA2 -0.417 3.552 3.960 0.015 0.000 0.324 72 G HA3 -0.417 3.552 3.960 0.015 0.000 0.324 72 G C 0.573 175.688 174.900 0.359 0.000 1.286 72 G CA 0.808 46.021 45.100 0.187 0.000 1.004 72 G HN 1.051 nan 8.290 nan 0.000 0.548 73 T N -1.895 112.740 114.554 0.134 0.000 3.186 73 T HA 0.534 4.893 4.350 0.015 0.000 0.257 73 T C 0.538 175.137 174.700 -0.168 0.000 1.029 73 T CA 0.551 62.559 62.100 -0.154 0.000 0.916 73 T CB 0.337 68.967 68.868 -0.397 0.000 1.041 73 T HN 0.801 nan 8.240 nan 0.000 0.562 74 V N 3.319 123.279 119.914 0.076 0.000 2.488 74 V HA 0.306 4.435 4.120 0.015 0.000 0.277 74 V C 0.827 177.033 176.094 0.187 0.000 1.046 74 V CA -0.338 61.998 62.300 0.060 0.000 0.986 74 V CB 0.089 31.944 31.823 0.053 0.000 0.989 74 V HN 0.783 nan 8.190 nan 0.000 0.475 75 N N 3.833 122.600 118.700 0.112 0.000 2.756 75 N HA -0.178 4.571 4.740 0.015 0.000 0.248 75 N C -0.767 174.921 175.510 0.296 0.000 1.062 75 N CA 0.322 53.461 53.050 0.147 0.000 0.696 75 N CB -0.720 37.824 38.487 0.094 0.000 0.946 75 N HN 0.595 nan 8.380 nan 0.000 0.548 76 W N 0.956 122.240 121.300 -0.027 0.000 2.150 76 W HA 0.333 5.003 4.660 0.017 0.000 0.341 76 W C 1.321 177.831 176.519 -0.016 0.000 1.276 76 W CA -0.522 56.811 57.345 -0.019 0.000 1.238 76 W CB -0.160 29.290 29.460 -0.018 0.000 1.128 76 W HN 0.286 nan 8.180 nan 0.000 0.581 77 S N 0.219 116.030 115.700 0.186 0.000 2.589 77 S HA 0.113 4.592 4.470 0.015 0.000 0.265 77 S C 0.802 175.486 174.600 0.140 0.000 1.342 77 S CA -0.660 57.606 58.200 0.110 0.000 1.005 77 S CB 0.796 64.022 63.200 0.042 0.000 0.909 77 S HN 0.305 nan 8.310 nan 0.000 0.555 78 V N 1.737 121.704 119.914 0.089 0.000 2.287 78 V HA -0.210 3.919 4.120 0.015 0.000 0.248 78 V C 2.155 178.296 176.094 0.077 0.000 1.053 78 V CA 2.482 64.830 62.300 0.079 0.000 1.027 78 V CB -1.364 30.486 31.823 0.045 0.000 0.646 78 V HN 0.897 nan 8.190 nan 0.000 0.447 79 D N 0.122 120.552 120.400 0.050 0.000 2.133 79 D HA -0.212 4.436 4.640 0.015 0.000 0.192 79 D C 1.869 178.198 176.300 0.049 0.000 1.001 79 D CA 1.652 55.671 54.000 0.032 0.000 0.844 79 D CB -0.474 40.330 40.800 0.007 0.000 0.944 79 D HN 0.399 nan 8.370 nan 0.000 0.447 80 D N -0.024 120.413 120.400 0.063 0.000 2.104 80 D HA -0.106 4.543 4.640 0.015 0.000 0.194 80 D C 2.228 178.691 176.300 0.271 0.000 0.994 80 D CA 0.527 54.575 54.000 0.080 0.000 0.830 80 D CB -0.340 40.422 40.800 -0.064 0.000 0.959 80 D HN 0.253 nan 8.370 nan 0.000 0.452 81 I N 0.256 121.025 120.570 0.332 0.000 2.194 81 I HA -0.257 3.922 4.170 0.015 0.000 0.246 81 I C 2.392 178.591 176.117 0.137 0.000 1.093 81 I CA 0.697 62.153 61.300 0.260 0.000 1.355 81 I CB -0.265 37.830 38.000 0.157 0.000 1.046 81 I HN -0.071 nan 8.210 nan 0.000 0.413 82 V N 0.712 120.674 119.914 0.080 0.000 2.358 82 V HA -0.280 3.849 4.120 0.015 0.000 0.246 82 V C 2.461 178.578 176.094 0.038 0.000 1.047 82 V CA 1.846 64.160 62.300 0.024 0.000 1.035 82 V CB -0.580 31.243 31.823 0.000 0.000 0.658 82 V HN 0.354 nan 8.190 nan 0.000 0.452 83 K N 0.018 120.451 120.400 0.055 0.000 2.097 83 K HA -0.085 4.243 4.320 0.015 0.000 0.205 83 K C 2.141 178.786 176.600 0.075 0.000 1.050 83 K CA 1.366 57.681 56.287 0.046 0.000 0.938 83 K CB -0.571 31.944 32.500 0.024 0.000 0.718 83 K HN 0.537 nan 8.250 nan 0.000 0.442 84 G N 0.449 109.330 108.800 0.135 0.000 2.421 84 G HA2 -0.164 3.805 3.960 0.015 0.000 0.217 84 G HA3 -0.164 3.805 3.960 0.015 0.000 0.217 84 G C 1.417 176.394 174.900 0.128 0.000 1.143 84 G CA 0.366 45.566 45.100 0.167 0.000 0.784 84 G HN 0.155 nan 8.290 nan 0.000 0.541 85 I N 0.692 121.335 120.570 0.122 0.000 2.406 85 I HA -0.043 4.136 4.170 0.015 0.000 0.249 85 I C 1.326 177.523 176.117 0.133 0.000 1.122 85 I CA 0.496 61.886 61.300 0.151 0.000 1.431 85 I CB 0.008 38.061 38.000 0.088 0.000 1.087 85 I HN 0.014 nan 8.210 nan 0.000 0.424 86 N N 0.804 119.544 118.700 0.066 0.000 2.362 86 N HA 0.025 4.774 4.740 0.015 0.000 0.211 86 N C 0.233 175.771 175.510 0.046 0.000 1.170 86 N CA 0.141 53.215 53.050 0.040 0.000 0.828 86 N CB 0.072 38.563 38.487 0.007 0.000 1.034 86 N HN 0.074 nan 8.380 nan 0.000 0.475 87 S N -1.174 114.564 115.700 0.064 0.000 2.646 87 S HA 0.308 4.787 4.470 0.015 0.000 0.276 87 S C 1.313 175.943 174.600 0.049 0.000 1.222 87 S CA -0.552 57.677 58.200 0.049 0.000 1.014 87 S CB 0.994 64.225 63.200 0.050 0.000 0.991 87 S HN 0.165 nan 8.310 nan 0.000 0.533 88 S N 2.626 118.347 115.700 0.035 0.000 2.383 88 S HA -0.005 4.474 4.470 0.015 0.000 0.227 88 S C 0.477 175.094 174.600 0.028 0.000 1.026 88 S CA 0.667 58.886 58.200 0.032 0.000 0.981 88 S CB -0.442 62.771 63.200 0.022 0.000 0.818 88 S HN 0.775 nan 8.310 nan 0.000 0.472 89 N N 2.569 121.283 118.700 0.023 0.000 2.431 89 N HA 0.086 4.835 4.740 0.015 0.000 0.265 89 N C 1.071 176.583 175.510 0.004 0.000 1.184 89 N CA -0.010 53.048 53.050 0.014 0.000 0.943 89 N CB 1.176 39.672 38.487 0.015 0.000 1.080 89 N HN 0.191 nan 8.380 nan 0.000 0.477 90 V N 0.507 120.414 119.914 -0.012 0.000 2.720 90 V HA -0.189 3.940 4.120 0.015 0.000 0.256 90 V C 1.710 177.763 176.094 -0.068 0.000 1.082 90 V CA 1.490 63.758 62.300 -0.053 0.000 1.101 90 V CB -0.566 31.224 31.823 -0.055 0.000 0.693 90 V HN 0.601 nan 8.190 nan 0.000 0.479 91 E N 1.118 121.299 120.200 -0.032 0.000 2.152 91 E HA -0.150 4.209 4.350 0.015 0.000 0.192 91 E C 2.003 178.601 176.600 -0.003 0.000 0.983 91 E CA 1.384 57.770 56.400 -0.022 0.000 0.818 91 E CB -0.137 29.560 29.700 -0.004 0.000 0.758 91 E HN 0.831 nan 8.360 nan 0.000 0.467 92 N N -0.015 118.694 118.700 0.016 0.000 2.106 92 N HA -0.161 4.587 4.740 0.015 0.000 0.188 92 N C 1.814 177.348 175.510 0.039 0.000 1.029 92 N CA 1.184 54.268 53.050 0.056 0.000 0.848 92 N CB 0.019 38.543 38.487 0.061 0.000 1.007 92 N HN 0.136 nan 8.380 nan 0.000 0.423 93 Q N 0.213 120.004 119.800 -0.015 0.000 2.050 93 Q HA -0.128 4.221 4.340 0.015 0.000 0.202 93 Q C 2.009 177.908 176.000 -0.169 0.000 0.980 93 Q CA 0.966 56.725 55.803 -0.074 0.000 0.840 93 Q CB -0.194 28.445 28.738 -0.166 0.000 0.898 93 Q HN 0.292 nan 8.270 nan 0.000 0.424 94 L N 1.087 122.197 121.223 -0.189 0.000 2.127 94 L HA -0.213 4.136 4.340 0.015 0.000 0.211 94 L C 1.979 178.763 176.870 -0.143 0.000 1.089 94 L CA 1.789 56.519 54.840 -0.184 0.000 0.757 94 L CB -0.397 41.580 42.059 -0.135 0.000 0.899 94 L HN 0.199 nan 8.230 nan 0.000 0.434 95 Q N -0.826 118.912 119.800 -0.103 0.000 2.137 95 Q HA -0.016 4.333 4.340 0.015 0.000 0.198 95 Q C 2.240 178.021 176.000 -0.364 0.000 0.960 95 Q CA 1.273 56.982 55.803 -0.156 0.000 0.847 95 Q CB -0.236 28.509 28.738 0.011 0.000 0.915 95 Q HN 0.664 nan 8.270 nan 0.000 0.448 96 A N 0.995 123.700 122.820 -0.192 0.000 1.873 96 A HA -0.135 4.194 4.320 0.015 0.000 0.215 96 A C 2.310 179.791 177.584 -0.171 0.000 1.186 96 A CA 1.772 53.691 52.037 -0.197 0.000 0.616 96 A CB -0.840 18.216 19.000 0.093 0.000 0.823 96 A HN 0.292 nan 8.150 nan 0.000 0.442 97 T N -0.283 114.239 114.554 -0.054 0.000 2.720 97 T HA -0.225 4.134 4.350 0.015 0.000 0.268 97 T C 2.067 176.679 174.700 -0.146 0.000 1.037 97 T CA 1.723 63.859 62.100 0.061 0.000 1.144 97 T CB -0.280 68.629 68.868 0.068 0.000 0.864 97 T HN 0.666 nan 8.240 nan 0.000 0.444 98 Q N 0.562 120.211 119.800 -0.251 0.000 2.124 98 Q HA -0.083 4.265 4.340 0.015 0.000 0.202 98 Q C 2.446 178.180 176.000 -0.443 0.000 0.977 98 Q CA 1.387 56.989 55.803 -0.336 0.000 0.850 98 Q CB -0.282 28.288 28.738 -0.280 0.000 0.901 98 Q HN 0.556 nan 8.270 nan 0.000 0.429 99 A N 0.627 123.104 122.820 -0.572 0.000 1.930 99 A HA -0.080 4.249 4.320 0.015 0.000 0.217 99 A C 2.255 179.601 177.584 -0.396 0.000 1.175 99 A CA 1.530 53.135 52.037 -0.720 0.000 0.627 99 A CB -0.863 17.282 19.000 -1.424 0.000 0.815 99 A HN 0.554 nan 8.150 nan 0.000 0.443 100 A N -0.039 122.633 122.820 -0.247 0.000 1.898 100 A HA -0.163 4.165 4.320 0.015 0.000 0.216 100 A C 2.277 179.709 177.584 -0.254 0.000 1.181 100 A CA 1.640 53.614 52.037 -0.104 0.000 0.620 100 A CB -0.537 18.576 19.000 0.189 0.000 0.819 100 A HN 0.545 nan 8.150 nan 0.000 0.442 101 R N 0.098 120.352 120.500 -0.409 0.000 2.120 101 R HA -0.133 4.216 4.340 0.015 0.000 0.234 101 R C 1.753 177.651 176.300 -0.670 0.000 1.123 101 R CA 1.785 57.489 56.100 -0.660 0.000 0.975 101 R CB -0.282 29.481 30.300 -0.896 0.000 0.866 101 R HN 0.496 nan 8.270 nan 0.000 0.446 102 K N 0.445 120.538 120.400 -0.512 0.000 2.103 102 K HA -0.034 4.295 4.320 0.015 0.000 0.204 102 K C 2.215 178.662 176.600 -0.255 0.000 1.052 102 K CA 0.873 56.923 56.287 -0.395 0.000 0.945 102 K CB -0.052 32.258 32.500 -0.316 0.000 0.722 102 K HN 0.241 nan 8.250 nan 0.000 0.443 103 L N 0.880 121.976 121.223 -0.212 0.000 2.046 103 L HA -0.171 4.178 4.340 0.015 0.000 0.208 103 L C 2.218 179.016 176.870 -0.120 0.000 1.077 103 L CA 1.166 55.934 54.840 -0.121 0.000 0.747 103 L CB -0.303 41.711 42.059 -0.075 0.000 0.896 103 L HN 0.193 nan 8.230 nan 0.000 0.432 104 L N -0.874 120.243 121.223 -0.177 0.000 2.395 104 L HA -0.073 4.276 4.340 0.015 0.000 0.218 104 L C 1.908 178.705 176.870 -0.121 0.000 1.130 104 L CA 0.725 55.477 54.840 -0.146 0.000 0.826 104 L CB -0.156 41.789 42.059 -0.190 0.000 0.941 104 L HN 0.276 nan 8.230 nan 0.000 0.451 105 S N -0.970 114.633 115.700 -0.162 0.000 2.568 105 S HA 0.142 4.621 4.470 0.015 0.000 0.232 105 S C 0.647 175.234 174.600 -0.021 0.000 0.975 105 S CA -0.785 57.388 58.200 -0.045 0.000 0.949 105 S CB -0.220 62.985 63.200 0.007 0.000 0.829 105 S HN 0.361 nan 8.310 nan 0.000 0.479 106 R N 1.474 121.946 120.500 -0.047 0.000 2.679 106 R HA 0.330 4.679 4.340 0.015 0.000 0.269 106 R C 0.934 177.234 176.300 -0.001 0.000 1.076 106 R CA -0.405 55.681 56.100 -0.024 0.000 1.160 106 R CB 0.560 30.841 30.300 -0.031 0.000 1.054 106 R HN 0.242 nan 8.270 nan 0.000 0.507 107 E N 1.207 121.411 120.200 0.007 0.000 2.058 107 E HA -0.141 4.218 4.350 0.015 0.000 0.194 107 E C -0.253 176.354 176.600 0.011 0.000 0.997 107 E CA 1.209 57.618 56.400 0.014 0.000 0.801 107 E CB 0.301 30.010 29.700 0.015 0.000 0.746 107 E HN 0.397 nan 8.360 nan 0.000 0.450 108 K N 0.945 121.350 120.400 0.007 0.000 2.274 108 K HA 0.161 4.490 4.320 0.015 0.000 0.262 108 K C -0.757 175.846 176.600 0.006 0.000 0.961 108 K CA -0.338 55.954 56.287 0.008 0.000 0.833 108 K CB 1.709 34.214 32.500 0.008 0.000 1.102 108 K HN 0.146 nan 8.250 nan 0.000 0.436 109 Q N 0.896 120.701 119.800 0.008 0.000 2.453 109 Q HA -0.146 4.202 4.340 0.015 0.000 0.330 109 Q C -2.206 173.797 176.000 0.005 0.000 1.417 109 Q CA -0.056 55.752 55.803 0.008 0.000 0.902 109 Q CB -1.500 27.243 28.738 0.008 0.000 1.154 109 Q HN 0.434 nan 8.270 nan 0.000 0.395 110 P HA -0.014 nan 4.420 nan 0.000 0.264 110 P C -2.325 174.976 177.300 0.002 0.000 1.183 110 P CA -0.689 62.408 63.100 -0.006 0.000 0.763 110 P CB 0.138 31.831 31.700 -0.011 0.000 0.807 111 P HA 0.256 nan 4.420 nan 0.000 0.219 111 P C 1.005 178.316 177.300 0.019 0.000 1.832 111 P CA -0.220 62.888 63.100 0.012 0.000 1.014 111 P CB -0.370 31.338 31.700 0.015 0.000 1.939 112 I N 0.041 120.622 120.570 0.019 0.000 2.142 112 I HA -0.220 3.959 4.170 0.015 0.000 0.240 112 I C 1.731 177.870 176.117 0.036 0.000 1.078 112 I CA 1.481 62.798 61.300 0.028 0.000 1.343 112 I CB -0.450 37.567 38.000 0.027 0.000 1.046 112 I HN 0.076 nan 8.210 nan 0.000 0.405 113 D N 1.043 121.461 120.400 0.029 0.000 2.149 113 D HA -0.163 4.486 4.640 0.015 0.000 0.198 113 D C 1.856 178.172 176.300 0.026 0.000 0.990 113 D CA 1.367 55.383 54.000 0.028 0.000 0.839 113 D CB -0.569 40.244 40.800 0.023 0.000 0.948 113 D HN 0.390 nan 8.370 nan 0.000 0.460 114 N N 0.211 118.926 118.700 0.025 0.000 2.188 114 N HA -0.047 4.702 4.740 0.015 0.000 0.184 114 N C 1.908 177.434 175.510 0.027 0.000 1.018 114 N CA 0.511 53.575 53.050 0.022 0.000 0.858 114 N CB -0.101 38.399 38.487 0.022 0.000 0.989 114 N HN 0.251 nan 8.380 nan 0.000 0.426 115 I N 0.333 120.928 120.570 0.042 0.000 2.406 115 I HA -0.111 4.067 4.170 0.015 0.000 0.249 115 I C 1.761 177.908 176.117 0.050 0.000 1.122 115 I CA 0.741 62.078 61.300 0.062 0.000 1.431 115 I CB -0.097 37.973 38.000 0.117 0.000 1.087 115 I HN 0.104 nan 8.210 nan 0.000 0.424 116 I N 0.488 121.089 120.570 0.051 0.000 2.179 116 I HA -0.282 3.897 4.170 0.015 0.000 0.242 116 I C 2.609 178.730 176.117 0.007 0.000 1.088 116 I CA 1.378 62.700 61.300 0.036 0.000 1.357 116 I CB -0.436 37.587 38.000 0.040 0.000 1.051 116 I HN 0.147 nan 8.210 nan 0.000 0.409 117 R N 0.662 121.167 120.500 0.008 0.000 2.193 117 R HA -0.103 4.246 4.340 0.015 0.000 0.229 117 R C 2.018 178.309 176.300 -0.014 0.000 1.110 117 R CA 1.199 57.299 56.100 -0.001 0.000 0.988 117 R CB -0.246 30.056 30.300 0.004 0.000 0.871 117 R HN 0.355 nan 8.270 nan 0.000 0.458 118 A N -0.115 122.693 122.820 -0.020 0.000 2.238 118 A HA 0.195 4.524 4.320 0.015 0.000 0.208 118 A C 1.272 178.814 177.584 -0.069 0.000 1.177 118 A CA 0.721 52.736 52.037 -0.036 0.000 0.804 118 A CB 0.001 18.983 19.000 -0.031 0.000 0.823 118 A HN 0.418 nan 8.150 nan 0.000 0.482 119 G N -1.106 107.651 108.800 -0.072 0.000 2.137 119 G HA2 -0.252 3.717 3.960 0.015 0.000 0.237 119 G HA3 -0.252 3.717 3.960 0.015 0.000 0.237 119 G C 0.662 175.460 174.900 -0.170 0.000 1.002 119 G CA 0.468 45.510 45.100 -0.097 0.000 0.702 119 G HN 0.441 nan 8.290 nan 0.000 0.515 120 L N 0.165 121.255 121.223 -0.222 0.000 2.341 120 L HA 0.144 4.493 4.340 0.015 0.000 0.214 120 L C 2.933 179.499 176.870 -0.507 0.000 1.115 120 L CA 0.294 54.840 54.840 -0.491 0.000 0.820 120 L CB -0.384 41.290 42.059 -0.641 0.000 0.944 120 L HN 0.305 nan 8.230 nan 0.000 0.452 121 I N 0.778 121.262 120.570 -0.143 0.000 2.087 121 I HA -0.242 3.936 4.170 0.015 0.000 0.240 121 I C -0.058 176.013 176.117 -0.077 0.000 1.054 121 I CA 2.101 63.414 61.300 0.022 0.000 1.311 121 I CB -2.288 35.728 38.000 0.027 0.000 1.024 121 I HN 0.213 nan 8.210 nan 0.000 0.402 122 P HA -0.158 nan 4.420 nan 0.000 0.215 122 P C 1.667 178.804 177.300 -0.271 0.000 1.153 122 P CA 1.475 64.474 63.100 -0.169 0.000 0.853 122 P CB -0.130 31.480 31.700 -0.149 0.000 0.788 123 K N -1.229 118.935 120.400 -0.394 0.000 2.026 123 K HA -0.100 4.229 4.320 0.015 0.000 0.208 123 K C 2.054 178.169 176.600 -0.808 0.000 1.048 123 K CA 1.319 57.205 56.287 -0.669 0.000 0.929 123 K CB -1.132 30.969 32.500 -0.665 0.000 0.713 123 K HN 0.120 nan 8.250 nan 0.000 0.439 124 F N 1.229 120.924 119.950 -0.427 0.000 2.120 124 F HA -0.200 4.337 4.527 0.018 0.000 0.300 124 F C 2.502 178.158 175.800 -0.239 0.000 1.095 124 F CA 0.753 58.611 58.000 -0.238 0.000 1.249 124 F CB -1.232 37.707 39.000 -0.102 0.000 0.995 124 F HN -0.235 nan 8.300 nan 0.000 0.480 125 V N -1.341 118.528 119.914 -0.074 0.000 2.427 125 V HA -0.249 3.880 4.120 0.015 0.000 0.248 125 V C 2.420 178.421 176.094 -0.154 0.000 1.051 125 V CA 1.799 64.008 62.300 -0.150 0.000 1.048 125 V CB -0.963 30.768 31.823 -0.154 0.000 0.666 125 V HN 0.280 nan 8.190 nan 0.000 0.456 126 S N -0.034 115.536 115.700 -0.216 0.000 2.365 126 S HA -0.196 4.283 4.470 0.015 0.000 0.225 126 S C 1.789 176.388 174.600 -0.002 0.000 1.039 126 S CA 1.874 59.972 58.200 -0.171 0.000 1.033 126 S CB -0.417 62.603 63.200 -0.300 0.000 0.887 126 S HN 0.526 nan 8.310 nan 0.000 0.447 127 F N 1.712 121.663 119.950 0.002 0.000 2.161 127 F HA -0.020 4.514 4.527 0.012 0.000 0.300 127 F C 2.034 177.830 175.800 -0.007 0.000 1.089 127 F CA 0.152 58.161 58.000 0.016 0.000 1.282 127 F CB -1.318 37.720 39.000 0.063 0.000 1.010 127 F HN 0.159 nan 8.300 nan 0.000 0.485 128 L N -0.543 120.755 121.223 0.125 0.000 2.089 128 L HA -0.222 4.127 4.340 0.015 0.000 0.213 128 L C 2.565 179.452 176.870 0.027 0.000 1.079 128 L CA 1.593 56.440 54.840 0.011 0.000 0.758 128 L CB -1.379 40.573 42.059 -0.177 0.000 0.891 128 L HN 0.278 nan 8.230 nan 0.000 0.433 129 G N -1.103 107.717 108.800 0.033 0.000 2.683 129 G HA2 -0.075 3.893 3.960 0.015 0.000 0.213 129 G HA3 -0.075 3.893 3.960 0.015 0.000 0.213 129 G C 0.927 175.865 174.900 0.063 0.000 1.142 129 G CA -0.379 44.742 45.100 0.034 0.000 0.793 129 G HN 0.099 nan 8.290 nan 0.000 0.534 130 R N 1.998 122.558 120.500 0.099 0.000 3.416 130 R HA 0.028 4.376 4.340 0.015 0.000 0.188 130 R C 1.337 177.679 176.300 0.070 0.000 1.727 130 R CA 0.252 56.408 56.100 0.094 0.000 1.165 130 R CB -1.166 29.209 30.300 0.124 0.000 1.277 130 R HN 0.169 nan 8.270 nan 0.000 0.679 131 T N 1.269 115.861 114.554 0.063 0.000 2.624 131 T HA -0.247 4.112 4.350 0.015 0.000 0.268 131 T C 1.442 176.185 174.700 0.072 0.000 1.041 131 T CA 2.131 64.272 62.100 0.067 0.000 1.159 131 T CB -0.163 68.739 68.868 0.057 0.000 0.863 131 T HN 0.609 nan 8.240 nan 0.000 0.434 132 D N 0.629 121.063 120.400 0.056 0.000 2.133 132 D HA -0.133 4.515 4.640 0.015 0.000 0.192 132 D C 1.246 177.573 176.300 0.044 0.000 1.001 132 D CA 0.844 54.875 54.000 0.051 0.000 0.844 132 D CB -1.142 39.680 40.800 0.037 0.000 0.944 132 D HN 0.460 nan 8.370 nan 0.000 0.447 133 C N 1.348 120.665 119.300 0.027 0.000 2.183 133 C HA 0.480 4.949 4.460 0.015 0.000 0.409 133 C C 2.185 177.171 174.990 -0.007 0.000 1.022 133 C CA 0.030 59.047 59.018 -0.002 0.000 1.367 133 C CB -2.019 25.702 27.740 -0.032 0.000 1.650 133 C HN 0.421 nan 8.230 nan 0.000 0.499 134 S N 5.041 120.727 115.700 -0.024 0.000 2.368 134 S HA -0.111 4.368 4.470 0.015 0.000 0.226 134 S C -0.501 174.065 174.600 -0.056 0.000 1.044 134 S CA 2.323 60.461 58.200 -0.105 0.000 1.062 134 S CB -0.581 62.419 63.200 -0.334 0.000 0.931 134 S HN 0.735 nan 8.310 nan 0.000 0.440 135 P HA -0.027 nan 4.420 nan 0.000 0.216 135 P C 1.511 178.854 177.300 0.071 0.000 1.150 135 P CA 0.957 64.087 63.100 0.050 0.000 0.837 135 P CB -0.081 31.625 31.700 0.011 0.000 0.786 136 I N -1.236 119.326 120.570 -0.013 0.000 2.876 136 I HA -0.163 4.016 4.170 0.015 0.000 0.264 136 I C 2.079 178.207 176.117 0.019 0.000 1.204 136 I CA 0.928 62.185 61.300 -0.071 0.000 1.485 136 I CB -0.058 37.786 38.000 -0.259 0.000 1.103 136 I HN -0.065 nan 8.210 nan 0.000 0.446 137 Q N -0.225 119.615 119.800 0.066 0.000 2.079 137 Q HA -0.235 4.114 4.340 0.015 0.000 0.200 137 Q C 2.018 178.105 176.000 0.145 0.000 0.974 137 Q CA 1.820 57.687 55.803 0.106 0.000 0.840 137 Q CB -0.130 28.664 28.738 0.092 0.000 0.898 137 Q HN 0.511 nan 8.270 nan 0.000 0.430 138 F N 1.766 121.723 119.950 0.012 0.000 2.128 138 F HA -0.132 4.405 4.527 0.016 0.000 0.295 138 F C 2.016 177.881 175.800 0.109 0.000 1.100 138 F CA 1.219 59.251 58.000 0.052 0.000 1.260 138 F CB 0.027 39.071 39.000 0.072 0.000 1.009 138 F HN -0.048 nan 8.300 nan 0.000 0.476 139 E N -0.285 119.874 120.200 -0.068 0.000 2.110 139 E HA -0.208 4.151 4.350 0.015 0.000 0.193 139 E C 2.430 178.889 176.600 -0.235 0.000 0.988 139 E CA 1.353 57.621 56.400 -0.221 0.000 0.804 139 E CB -0.802 28.819 29.700 -0.131 0.000 0.745 139 E HN 0.411 nan 8.360 nan 0.000 0.458 140 S N 0.294 115.938 115.700 -0.094 0.000 2.387 140 S HA -0.036 4.443 4.470 0.015 0.000 0.226 140 S C 2.074 176.602 174.600 -0.120 0.000 1.026 140 S CA 1.033 59.170 58.200 -0.105 0.000 0.972 140 S CB -0.015 63.296 63.200 0.184 0.000 0.814 140 S HN 0.283 nan 8.310 nan 0.000 0.477 141 A N 1.200 124.021 122.820 0.002 0.000 1.902 141 A HA -0.117 4.212 4.320 0.015 0.000 0.217 141 A C 1.976 179.572 177.584 0.021 0.000 1.181 141 A CA 1.629 53.768 52.037 0.171 0.000 0.623 141 A CB -1.227 17.906 19.000 0.222 0.000 0.818 141 A HN 0.835 nan 8.150 nan 0.000 0.443 142 W N 0.864 121.905 121.300 -0.432 0.000 2.388 142 W HA -0.064 4.587 4.660 -0.014 0.000 0.294 142 W C 2.394 178.634 176.519 -0.466 0.000 1.212 142 W CA 1.396 58.408 57.345 -0.555 0.000 1.271 142 W CB -0.773 28.225 29.460 -0.769 0.000 1.126 142 W HN 0.402 nan 8.180 nan 0.000 0.535 143 A N 0.718 123.369 122.820 -0.281 0.000 1.858 143 A HA -0.195 4.134 4.320 0.015 0.000 0.216 143 A C 2.303 179.696 177.584 -0.318 0.000 1.190 143 A CA 2.040 53.793 52.037 -0.474 0.000 0.617 143 A CB -1.201 17.216 19.000 -0.972 0.000 0.827 143 A HN 0.284 nan 8.150 nan 0.000 0.443 144 L N -0.570 120.509 121.223 -0.239 0.000 2.131 144 L HA -0.168 4.181 4.340 0.015 0.000 0.210 144 L C 2.755 179.640 176.870 0.024 0.000 1.092 144 L CA 1.608 56.439 54.840 -0.015 0.000 0.759 144 L CB -0.851 41.325 42.059 0.195 0.000 0.903 144 L HN 0.378 nan 8.230 nan 0.000 0.435 145 T N -0.411 114.112 114.554 -0.052 0.000 2.684 145 T HA -0.164 4.195 4.350 0.015 0.000 0.267 145 T C 1.651 176.279 174.700 -0.120 0.000 1.036 145 T CA 1.708 63.705 62.100 -0.172 0.000 1.148 145 T CB -0.233 68.379 68.868 -0.426 0.000 0.863 145 T HN 0.302 nan 8.240 nan 0.000 0.436 146 N N 0.723 119.362 118.700 -0.101 0.000 2.270 146 N HA 0.123 4.872 4.740 0.015 0.000 0.181 146 N C 1.768 177.265 175.510 -0.022 0.000 1.016 146 N CA 0.547 53.563 53.050 -0.057 0.000 0.870 146 N CB -0.357 38.100 38.487 -0.050 0.000 0.979 146 N HN 0.395 nan 8.380 nan 0.000 0.431 147 I N 0.498 121.054 120.570 -0.023 0.000 2.142 147 I HA -0.200 3.979 4.170 0.015 0.000 0.240 147 I C 1.961 178.104 176.117 0.043 0.000 1.078 147 I CA 1.062 62.371 61.300 0.016 0.000 1.343 147 I CB -0.316 37.703 38.000 0.032 0.000 1.046 147 I HN 0.069 nan 8.210 nan 0.000 0.405 148 A N 0.311 123.160 122.820 0.048 0.000 2.216 148 A HA -0.128 4.201 4.320 0.015 0.000 0.214 148 A C 2.264 179.906 177.584 0.097 0.000 1.160 148 A CA 1.476 53.558 52.037 0.075 0.000 0.725 148 A CB -0.628 18.413 19.000 0.068 0.000 0.784 148 A HN 0.534 nan 8.150 nan 0.000 0.472 149 S N -1.084 114.665 115.700 0.082 0.000 2.593 149 S HA 0.325 4.804 4.470 0.015 0.000 0.217 149 S C 1.170 175.825 174.600 0.092 0.000 0.966 149 S CA 0.459 58.725 58.200 0.111 0.000 0.914 149 S CB -0.282 62.974 63.200 0.095 0.000 0.776 149 S HN 0.556 nan 8.310 nan 0.000 0.523 150 G N 1.648 110.493 108.800 0.076 0.000 2.829 150 G HA2 0.447 4.416 3.960 0.015 0.000 0.173 150 G HA3 0.447 4.416 3.960 0.015 0.000 0.173 150 G C 0.246 175.187 174.900 0.068 0.000 1.476 150 G CA 0.094 45.232 45.100 0.063 0.000 1.072 150 G HN 0.542 nan 8.290 nan 0.000 0.577 151 T N -2.361 112.228 114.554 0.057 0.000 2.754 151 T HA 0.265 4.624 4.350 0.015 0.000 0.286 151 T C 1.557 176.299 174.700 0.070 0.000 0.997 151 T CA 0.554 62.685 62.100 0.052 0.000 0.982 151 T CB 1.013 69.904 68.868 0.039 0.000 1.027 151 T HN 0.194 nan 8.240 nan 0.000 0.529 152 S N 0.197 115.930 115.700 0.055 0.000 2.370 152 S HA -0.120 4.358 4.470 0.015 0.000 0.226 152 S C 1.994 176.661 174.600 0.112 0.000 1.033 152 S CA 1.416 59.657 58.200 0.070 0.000 1.011 152 S CB -0.492 62.709 63.200 0.002 0.000 0.852 152 S HN 0.789 nan 8.310 nan 0.000 0.457 153 E N 0.887 121.134 120.200 0.078 0.000 2.110 153 E HA -0.185 4.174 4.350 0.015 0.000 0.193 153 E C 2.308 178.963 176.600 0.092 0.000 0.988 153 E CA 0.964 57.414 56.400 0.082 0.000 0.804 153 E CB -0.149 29.583 29.700 0.054 0.000 0.745 153 E HN 0.572 nan 8.360 nan 0.000 0.458 154 Q N -0.204 119.645 119.800 0.083 0.000 2.119 154 Q HA -0.103 4.246 4.340 0.015 0.000 0.201 154 Q C 2.134 178.189 176.000 0.091 0.000 0.972 154 Q CA 1.705 57.554 55.803 0.077 0.000 0.847 154 Q CB 0.059 28.835 28.738 0.065 0.000 0.903 154 Q HN 0.172 nan 8.270 nan 0.000 0.433 155 T N 0.761 115.393 114.554 0.130 0.000 2.857 155 T HA -0.115 4.244 4.350 0.015 0.000 0.266 155 T C 1.623 176.388 174.700 0.109 0.000 1.048 155 T CA 1.053 63.239 62.100 0.143 0.000 1.139 155 T CB -0.072 68.938 68.868 0.237 0.000 0.874 155 T HN 0.229 nan 8.240 nan 0.000 0.455 156 K N 1.308 121.846 120.400 0.230 0.000 2.147 156 K HA -0.040 4.289 4.320 0.015 0.000 0.205 156 K C 2.429 179.054 176.600 0.041 0.000 1.049 156 K CA 1.184 57.584 56.287 0.187 0.000 0.936 156 K CB -0.281 32.407 32.500 0.314 0.000 0.722 156 K HN 0.281 nan 8.250 nan 0.000 0.446 157 A N 0.728 123.579 122.820 0.053 0.000 1.902 157 A HA -0.099 4.230 4.320 0.015 0.000 0.217 157 A C 2.221 179.807 177.584 0.003 0.000 1.181 157 A CA 1.558 53.612 52.037 0.028 0.000 0.623 157 A CB -0.597 18.428 19.000 0.041 0.000 0.818 157 A HN 0.171 nan 8.150 nan 0.000 0.443 158 V N -0.349 119.569 119.914 0.007 0.000 2.343 158 V HA -0.225 3.904 4.120 0.015 0.000 0.247 158 V C 2.559 178.615 176.094 -0.062 0.000 1.051 158 V CA 2.004 64.308 62.300 0.005 0.000 1.036 158 V CB -0.659 31.195 31.823 0.051 0.000 0.654 158 V HN 0.379 nan 8.190 nan 0.000 0.451 159 V N 0.010 119.833 119.914 -0.151 0.000 2.427 159 V HA -0.201 3.928 4.120 0.015 0.000 0.248 159 V C 2.128 178.122 176.094 -0.167 0.000 1.051 159 V CA 1.946 64.090 62.300 -0.259 0.000 1.048 159 V CB -0.628 30.842 31.823 -0.587 0.000 0.666 159 V HN 0.556 nan 8.190 nan 0.000 0.456 160 D N 0.772 121.112 120.400 -0.099 0.000 2.312 160 D HA -0.052 4.597 4.640 0.015 0.000 0.211 160 D C 2.108 178.377 176.300 -0.051 0.000 0.964 160 D CA 1.275 55.245 54.000 -0.050 0.000 0.877 160 D CB -0.228 40.565 40.800 -0.013 0.000 0.924 160 D HN 0.501 nan 8.370 nan 0.000 0.515 161 G N -0.185 108.578 108.800 -0.062 0.000 2.848 161 G HA2 0.150 4.119 3.960 0.015 0.000 0.208 161 G HA3 0.150 4.119 3.960 0.015 0.000 0.208 161 G C 1.236 176.081 174.900 -0.092 0.000 1.152 161 G CA 0.477 45.536 45.100 -0.067 0.000 0.789 161 G HN 0.401 nan 8.290 nan 0.000 0.531 162 G N -0.887 107.848 108.800 -0.108 0.000 2.147 162 G HA2 -0.005 3.964 3.960 0.015 0.000 0.244 162 G HA3 -0.005 3.964 3.960 0.015 0.000 0.244 162 G C 1.167 175.956 174.900 -0.186 0.000 1.005 162 G CA 0.829 45.848 45.100 -0.134 0.000 0.713 162 G HN 1.127 nan 8.290 nan 0.000 0.515 163 A N -0.561 122.150 122.820 -0.182 0.000 2.015 163 A HA 0.301 4.630 4.320 0.015 0.000 0.219 163 A C 2.338 179.828 177.584 -0.156 0.000 1.163 163 A CA 1.656 53.557 52.037 -0.225 0.000 0.646 163 A CB -0.204 18.736 19.000 -0.100 0.000 0.806 163 A HN 0.724 nan 8.150 nan 0.000 0.448 164 I N 0.031 120.488 120.570 -0.188 0.000 2.133 164 I HA -0.149 4.030 4.170 0.015 0.000 0.238 164 I C -0.522 175.471 176.117 -0.207 0.000 1.074 164 I CA 1.298 62.475 61.300 -0.205 0.000 1.342 164 I CB -1.207 36.498 38.000 -0.492 0.000 1.053 164 I HN 0.164 nan 8.210 nan 0.000 0.404 165 P HA -0.216 nan 4.420 nan 0.000 0.217 165 P C 1.283 178.560 177.300 -0.040 0.000 1.151 165 P CA 2.004 65.043 63.100 -0.103 0.000 0.849 165 P CB -0.046 31.626 31.700 -0.047 0.000 0.787 166 A N -2.095 120.659 122.820 -0.110 0.000 1.930 166 A HA -0.070 4.258 4.320 0.015 0.000 0.215 166 A C 1.866 179.394 177.584 -0.093 0.000 1.176 166 A CA 0.869 52.828 52.037 -0.131 0.000 0.632 166 A CB -1.487 17.371 19.000 -0.237 0.000 0.819 166 A HN 0.030 nan 8.150 nan 0.000 0.445 167 F N 0.299 120.236 119.950 -0.023 0.000 2.186 167 F HA -0.038 4.497 4.527 0.014 0.000 0.299 167 F C 2.082 177.895 175.800 0.022 0.000 1.090 167 F CA 0.663 58.665 58.000 0.002 0.000 1.307 167 F CB -0.381 38.615 39.000 -0.006 0.000 1.019 167 F HN 0.128 nan 8.300 nan 0.000 0.489 168 I N -1.293 119.394 120.570 0.194 0.000 2.315 168 I HA -0.285 3.894 4.170 0.015 0.000 0.248 168 I C 2.402 178.588 176.117 0.115 0.000 1.117 168 I CA 1.060 62.444 61.300 0.141 0.000 1.404 168 I CB -0.596 37.475 38.000 0.119 0.000 1.071 168 I HN -0.006 nan 8.210 nan 0.000 0.419 169 S N 0.902 116.656 115.700 0.091 0.000 2.370 169 S HA -0.145 4.334 4.470 0.015 0.000 0.226 169 S C 1.979 176.629 174.600 0.084 0.000 1.033 169 S CA 1.248 59.491 58.200 0.072 0.000 1.011 169 S CB -0.295 62.931 63.200 0.045 0.000 0.852 169 S HN 0.369 nan 8.310 nan 0.000 0.457 170 L N 1.050 122.339 121.223 0.110 0.000 2.275 170 L HA -0.027 4.321 4.340 0.015 0.000 0.215 170 L C 1.956 178.904 176.870 0.130 0.000 1.119 170 L CA 0.644 55.560 54.840 0.127 0.000 0.790 170 L CB -0.494 41.672 42.059 0.179 0.000 0.919 170 L HN 0.328 nan 8.230 nan 0.000 0.443 171 L N -0.217 121.088 121.223 0.137 0.000 2.263 171 L HA -0.220 4.128 4.340 0.015 0.000 0.216 171 L C 2.341 179.279 176.870 0.113 0.000 1.111 171 L CA 1.065 55.985 54.840 0.134 0.000 0.773 171 L CB -0.458 41.675 42.059 0.123 0.000 0.906 171 L HN 0.274 nan 8.230 nan 0.000 0.439 172 A N -1.518 121.355 122.820 0.088 0.000 2.308 172 A HA 0.059 4.388 4.320 0.015 0.000 0.217 172 A C 1.198 178.811 177.584 0.049 0.000 1.216 172 A CA -0.028 52.048 52.037 0.065 0.000 0.864 172 A CB -0.026 19.005 19.000 0.051 0.000 0.902 172 A HN 0.240 nan 8.150 nan 0.000 0.499 173 S N 0.801 116.536 115.700 0.058 0.000 2.558 173 S HA 0.151 4.630 4.470 0.015 0.000 0.291 173 S C -1.182 173.407 174.600 -0.018 0.000 1.306 173 S CA -0.569 57.648 58.200 0.029 0.000 1.056 173 S CB 0.603 63.843 63.200 0.068 0.000 0.836 173 S HN 0.249 nan 8.310 nan 0.000 0.504 174 P HA 0.023 nan 4.420 nan 0.000 0.229 174 P C -0.409 176.745 177.300 -0.243 0.000 1.160 174 P CA 0.811 63.791 63.100 -0.201 0.000 0.777 174 P CB -0.017 31.503 31.700 -0.301 0.000 0.814 175 H N -0.242 118.835 119.070 0.011 0.000 2.761 175 H HA 0.343 4.908 4.556 0.015 0.000 0.284 175 H C 1.369 176.682 175.328 -0.026 0.000 1.105 175 H CA -0.271 55.770 56.048 -0.011 0.000 1.352 175 H CB 0.860 30.504 29.762 -0.197 0.000 1.423 175 H HN -0.007 nan 8.280 nan 0.000 0.464 176 A N 4.264 127.197 122.820 0.188 0.000 1.958 176 A HA -0.263 4.066 4.320 0.015 0.000 0.221 176 A C 2.079 179.649 177.584 -0.022 0.000 1.178 176 A CA 1.796 53.919 52.037 0.144 0.000 0.642 176 A CB -0.699 18.430 19.000 0.215 0.000 0.816 176 A HN 0.856 nan 8.150 nan 0.000 0.453 177 H N -1.242 117.770 119.070 -0.096 0.000 2.457 177 H HA 0.008 4.571 4.556 0.013 0.000 0.294 177 H C 1.827 177.134 175.328 -0.035 0.000 1.064 177 H CA 1.452 57.390 56.048 -0.183 0.000 1.330 177 H CB -0.733 28.803 29.762 -0.376 0.000 1.395 177 H HN 0.477 nan 8.280 nan 0.000 0.541 178 I N 1.788 122.184 120.570 -0.290 0.000 2.277 178 I HA -0.209 3.970 4.170 0.015 0.000 0.243 178 I C 2.863 179.013 176.117 0.056 0.000 1.094 178 I CA 1.281 62.556 61.300 -0.042 0.000 1.393 178 I CB -0.300 37.664 38.000 -0.060 0.000 1.078 178 I HN 0.351 nan 8.210 nan 0.000 0.417 179 S N 0.207 115.930 115.700 0.039 0.000 2.368 179 S HA -0.287 4.192 4.470 0.015 0.000 0.225 179 S C 2.010 176.640 174.600 0.051 0.000 1.030 179 S CA 1.529 59.788 58.200 0.099 0.000 0.999 179 S CB -0.716 62.584 63.200 0.166 0.000 0.844 179 S HN 0.550 nan 8.310 nan 0.000 0.459 180 E N 0.777 120.871 120.200 -0.177 0.000 2.097 180 E HA -0.304 4.055 4.350 0.015 0.000 0.196 180 E C 2.275 178.878 176.600 0.005 0.000 1.000 180 E CA 1.562 57.771 56.400 -0.318 0.000 0.804 180 E CB -0.263 29.025 29.700 -0.686 0.000 0.740 180 E HN 0.593 nan 8.360 nan 0.000 0.454 181 Q N 0.141 119.976 119.800 0.058 0.000 2.167 181 Q HA -0.043 4.306 4.340 0.015 0.000 0.202 181 Q C 1.738 177.756 176.000 0.030 0.000 0.970 181 Q CA 1.644 57.493 55.803 0.076 0.000 0.855 181 Q CB -0.293 28.507 28.738 0.103 0.000 0.911 181 Q HN 0.361 nan 8.270 nan 0.000 0.438 182 A N -0.960 121.907 122.820 0.077 0.000 2.014 182 A HA -0.047 4.282 4.320 0.015 0.000 0.218 182 A C 2.156 179.712 177.584 -0.045 0.000 1.163 182 A CA 1.219 53.272 52.037 0.027 0.000 0.652 182 A CB -0.441 18.703 19.000 0.240 0.000 0.808 182 A HN 0.246 nan 8.150 nan 0.000 0.449 183 V N -1.575 118.388 119.914 0.082 0.000 2.307 183 V HA -0.222 3.907 4.120 0.015 0.000 0.245 183 V C 2.264 178.458 176.094 0.168 0.000 1.045 183 V CA 1.703 64.078 62.300 0.125 0.000 1.024 183 V CB -0.852 31.088 31.823 0.195 0.000 0.651 183 V HN 0.871 nan 8.190 nan 0.000 0.449 184 W N 1.196 122.487 121.300 -0.015 0.000 2.338 184 W HA -0.212 4.455 4.660 0.012 0.000 0.304 184 W C 2.513 179.006 176.519 -0.043 0.000 1.212 184 W CA 2.256 59.616 57.345 0.026 0.000 1.264 184 W CB -0.717 28.689 29.460 -0.089 0.000 1.142 184 W HN 0.279 nan 8.180 nan 0.000 0.512 185 A N 0.342 123.155 122.820 -0.012 0.000 1.877 185 A HA -0.174 4.155 4.320 0.015 0.000 0.216 185 A C 2.308 179.745 177.584 -0.244 0.000 1.186 185 A CA 1.820 53.642 52.037 -0.359 0.000 0.620 185 A CB -1.110 17.088 19.000 -1.336 0.000 0.822 185 A HN 0.294 nan 8.150 nan 0.000 0.443 186 L N -0.652 120.432 121.223 -0.233 0.000 2.046 186 L HA -0.109 4.240 4.340 0.015 0.000 0.208 186 L C 2.854 179.710 176.870 -0.023 0.000 1.077 186 L CA 0.997 55.781 54.840 -0.094 0.000 0.747 186 L CB -0.822 41.214 42.059 -0.037 0.000 0.896 186 L HN 0.495 nan 8.230 nan 0.000 0.432 187 G N -0.079 108.736 108.800 0.024 0.000 2.469 187 G HA2 -0.321 3.648 3.960 0.015 0.000 0.219 187 G HA3 -0.321 3.648 3.960 0.015 0.000 0.219 187 G C 1.415 176.325 174.900 0.016 0.000 1.150 187 G CA 0.999 46.058 45.100 -0.068 0.000 0.763 187 G HN 0.303 nan 8.290 nan 0.000 0.561 188 N N 0.485 119.361 118.700 0.293 0.000 2.142 188 N HA -0.010 4.739 4.740 0.015 0.000 0.186 188 N C 2.277 177.878 175.510 0.152 0.000 1.023 188 N CA 0.718 53.950 53.050 0.304 0.000 0.852 188 N CB -0.246 38.419 38.487 0.298 0.000 0.998 188 N HN 0.380 nan 8.380 nan 0.000 0.424 189 I N 0.641 121.265 120.570 0.090 0.000 2.252 189 I HA -0.205 3.974 4.170 0.015 0.000 0.245 189 I C 2.182 178.382 176.117 0.138 0.000 1.102 189 I CA 0.959 62.314 61.300 0.091 0.000 1.385 189 I CB -0.271 37.727 38.000 -0.003 0.000 1.064 189 I HN 0.057 nan 8.210 nan 0.000 0.414 190 A N 0.831 123.683 122.820 0.053 0.000 1.969 190 A HA -0.086 4.243 4.320 0.015 0.000 0.218 190 A C 2.350 179.923 177.584 -0.018 0.000 1.169 190 A CA 1.637 53.690 52.037 0.027 0.000 0.635 190 A CB -1.280 17.691 19.000 -0.049 0.000 0.810 190 A HN 0.467 nan 8.150 nan 0.000 0.445 191 G N -0.555 108.211 108.800 -0.056 0.000 2.625 191 G HA2 -0.168 3.801 3.960 0.015 0.000 0.214 191 G HA3 -0.168 3.801 3.960 0.015 0.000 0.214 191 G C 1.059 175.956 174.900 -0.006 0.000 1.132 191 G CA 1.155 46.209 45.100 -0.077 0.000 0.782 191 G HN 0.576 nan 8.290 nan 0.000 0.538 192 D N -0.262 120.173 120.400 0.059 0.000 2.224 192 D HA 0.279 4.928 4.640 0.015 0.000 0.205 192 D C 1.305 177.567 176.300 -0.064 0.000 0.965 192 D CA 1.417 55.444 54.000 0.047 0.000 0.852 192 D CB 0.060 40.968 40.800 0.180 0.000 0.947 192 D HN 0.432 nan 8.370 nan 0.000 0.494 193 G N -2.345 106.409 108.800 -0.076 0.000 2.369 193 G HA2 0.010 3.978 3.960 0.015 0.000 0.293 193 G HA3 0.010 3.978 3.960 0.015 0.000 0.293 193 G C 0.408 175.248 174.900 -0.100 0.000 1.301 193 G CA 0.061 45.086 45.100 -0.124 0.000 0.913 193 G HN -0.108 nan 8.290 nan 0.000 0.540 194 S N -1.026 114.612 115.700 -0.104 0.000 2.383 194 S HA -0.066 4.413 4.470 0.015 0.000 0.227 194 S C 2.544 177.127 174.600 -0.028 0.000 1.026 194 S CA 1.648 59.811 58.200 -0.062 0.000 0.981 194 S CB -0.150 63.014 63.200 -0.059 0.000 0.818 194 S HN 0.656 nan 8.310 nan 0.000 0.472 195 V N 1.400 121.269 119.914 -0.075 0.000 2.270 195 V HA -0.121 4.008 4.120 0.015 0.000 0.245 195 V C 2.026 178.238 176.094 0.196 0.000 1.043 195 V CA 1.570 63.868 62.300 -0.003 0.000 1.014 195 V CB -0.758 31.009 31.823 -0.093 0.000 0.645 195 V HN 0.394 nan 8.190 nan 0.000 0.447 196 F N 0.492 120.450 119.950 0.013 0.000 2.216 196 F HA -0.061 4.473 4.527 0.013 0.000 0.300 196 F C 2.461 178.271 175.800 0.017 0.000 1.085 196 F CA 1.225 59.238 58.000 0.022 0.000 1.326 196 F CB -1.095 37.913 39.000 0.014 0.000 1.027 196 F HN 0.101 nan 8.300 nan 0.000 0.497 197 R N 0.800 121.404 120.500 0.173 0.000 2.103 197 R HA -0.197 4.151 4.340 0.015 0.000 0.234 197 R C 1.865 178.220 176.300 0.092 0.000 1.132 197 R CA 2.326 58.475 56.100 0.082 0.000 0.925 197 R CB -0.509 29.801 30.300 0.016 0.000 0.842 197 R HN 0.092 nan 8.270 nan 0.000 0.430 198 D N 0.654 121.107 120.400 0.088 0.000 2.116 198 D HA -0.193 4.456 4.640 0.015 0.000 0.193 198 D C 1.866 178.241 176.300 0.125 0.000 0.998 198 D CA 0.956 55.006 54.000 0.083 0.000 0.836 198 D CB -0.352 40.486 40.800 0.064 0.000 0.951 198 D HN 0.160 nan 8.370 nan 0.000 0.449 199 L N 0.398 121.731 121.223 0.184 0.000 2.079 199 L HA -0.154 4.194 4.340 0.015 0.000 0.210 199 L C 2.245 179.287 176.870 0.286 0.000 1.081 199 L CA 1.208 56.194 54.840 0.245 0.000 0.752 199 L CB -0.373 41.853 42.059 0.278 0.000 0.896 199 L HN -0.082 nan 8.230 nan 0.000 0.433 200 V N -0.493 119.533 119.914 0.186 0.000 2.244 200 V HA -0.300 3.829 4.120 0.015 0.000 0.244 200 V C 2.432 178.623 176.094 0.162 0.000 1.042 200 V CA 2.042 64.432 62.300 0.150 0.000 1.006 200 V CB -0.381 31.490 31.823 0.079 0.000 0.641 200 V HN 0.364 nan 8.190 nan 0.000 0.446 201 I N 0.156 120.793 120.570 0.112 0.000 2.185 201 I HA -0.367 3.812 4.170 0.015 0.000 0.246 201 I C 2.588 178.756 176.117 0.086 0.000 1.088 201 I CA 2.247 63.598 61.300 0.084 0.000 1.347 201 I CB -0.497 37.536 38.000 0.056 0.000 1.041 201 I HN 0.331 nan 8.210 nan 0.000 0.415 202 K N 0.492 120.944 120.400 0.087 0.000 2.148 202 K HA -0.186 4.143 4.320 0.015 0.000 0.204 202 K C 1.912 178.491 176.600 -0.036 0.000 1.050 202 K CA 1.323 57.616 56.287 0.011 0.000 0.942 202 K CB -0.142 32.342 32.500 -0.028 0.000 0.724 202 K HN 0.255 nan 8.250 nan 0.000 0.446 203 Y N 0.361 120.677 120.300 0.027 0.000 2.632 203 Y HA 0.047 4.607 4.550 0.017 0.000 0.301 203 Y C 1.182 177.100 175.900 0.029 0.000 1.172 203 Y CA 0.989 59.105 58.100 0.027 0.000 1.328 203 Y CB 0.324 38.802 38.460 0.029 0.000 1.016 203 Y HN 0.389 nan 8.280 nan 0.000 0.529 204 G N -0.379 108.500 108.800 0.132 0.000 2.204 204 G HA2 -0.256 3.713 3.960 0.015 0.000 0.244 204 G HA3 -0.256 3.713 3.960 0.015 0.000 0.244 204 G C 1.053 176.010 174.900 0.096 0.000 1.062 204 G CA 0.218 45.371 45.100 0.089 0.000 0.798 204 G HN 0.545 nan 8.290 nan 0.000 0.496 205 A N -1.043 121.840 122.820 0.106 0.000 2.014 205 A HA 0.339 4.667 4.320 0.015 0.000 0.218 205 A C 2.508 180.131 177.584 0.066 0.000 1.163 205 A CA 2.276 54.367 52.037 0.090 0.000 0.652 205 A CB -0.104 18.948 19.000 0.086 0.000 0.808 205 A HN 1.097 nan 8.150 nan 0.000 0.449 206 V N 0.364 120.311 119.914 0.054 0.000 2.244 206 V HA -0.260 3.869 4.120 0.015 0.000 0.244 206 V C 2.349 178.464 176.094 0.036 0.000 1.042 206 V CA 2.412 64.736 62.300 0.039 0.000 1.006 206 V CB -0.819 31.023 31.823 0.032 0.000 0.641 206 V HN 0.682 nan 8.190 nan 0.000 0.446 207 D N 0.150 120.571 120.400 0.036 0.000 2.160 207 D HA -0.171 4.477 4.640 0.015 0.000 0.189 207 D C -0.321 175.999 176.300 0.033 0.000 1.003 207 D CA 2.305 56.324 54.000 0.031 0.000 0.846 207 D CB -1.149 39.669 40.800 0.030 0.000 0.949 207 D HN 0.328 nan 8.370 nan 0.000 0.446 208 P HA -0.063 nan 4.420 nan 0.000 0.217 208 P C 1.725 179.053 177.300 0.048 0.000 1.150 208 P CA 0.831 63.960 63.100 0.048 0.000 0.832 208 P CB -0.043 31.695 31.700 0.064 0.000 0.787 209 L N -1.286 119.966 121.223 0.049 0.000 2.017 209 L HA -0.163 4.186 4.340 0.015 0.000 0.208 209 L C 2.428 179.312 176.870 0.024 0.000 1.073 209 L CA 1.467 56.335 54.840 0.046 0.000 0.745 209 L CB -0.890 41.195 42.059 0.043 0.000 0.894 209 L HN -0.059 nan 8.230 nan 0.000 0.432 210 L N -0.872 120.362 121.223 0.019 0.000 2.141 210 L HA -0.143 4.206 4.340 0.015 0.000 0.209 210 L C 2.812 179.683 176.870 0.002 0.000 1.094 210 L CA 0.795 55.639 54.840 0.007 0.000 0.763 210 L CB -0.759 41.306 42.059 0.010 0.000 0.908 210 L HN 0.232 nan 8.230 nan 0.000 0.437 211 A N 0.580 123.406 122.820 0.009 0.000 1.908 211 A HA -0.170 4.159 4.320 0.015 0.000 0.218 211 A C 2.215 179.794 177.584 -0.008 0.000 1.181 211 A CA 1.383 53.424 52.037 0.006 0.000 0.627 211 A CB -0.714 18.296 19.000 0.017 0.000 0.818 211 A HN 0.392 nan 8.150 nan 0.000 0.445 212 L N -1.066 120.150 121.223 -0.012 0.000 2.353 212 L HA -0.064 4.285 4.340 0.015 0.000 0.220 212 L C 1.204 178.013 176.870 -0.101 0.000 1.133 212 L CA 0.591 55.398 54.840 -0.057 0.000 0.798 212 L CB -0.316 41.708 42.059 -0.057 0.000 0.922 212 L HN 0.329 nan 8.230 nan 0.000 0.445 213 L N -0.303 120.882 121.223 -0.064 0.000 2.928 213 L HA 0.363 4.711 4.340 0.015 0.000 0.246 213 L C 0.589 177.437 176.870 -0.035 0.000 1.239 213 L CA -0.514 54.289 54.840 -0.063 0.000 1.035 213 L CB 0.140 42.172 42.059 -0.045 0.000 1.360 213 L HN 0.053 nan 8.230 nan 0.000 0.529 214 A N -0.299 122.502 122.820 -0.031 0.000 2.294 214 A HA 0.725 5.053 4.320 0.015 0.000 0.330 214 A C 0.333 177.908 177.584 -0.016 0.000 1.133 214 A CA -0.364 51.663 52.037 -0.017 0.000 0.836 214 A CB 1.415 20.408 19.000 -0.012 0.000 1.190 214 A HN -0.046 nan 8.150 nan 0.000 0.492 220 S N 0.928 116.640 115.700 0.020 0.000 2.457 220 S HA 0.558 5.037 4.470 0.015 0.000 0.216 220 S C -0.259 174.356 174.600 0.026 0.000 1.392 220 S CA -0.795 57.427 58.200 0.036 0.000 1.102 220 S CB -1.261 61.956 63.200 0.028 0.000 1.114 220 S HN 0.521 nan 8.310 nan 0.000 0.484 221 L N 2.121 123.351 121.223 0.011 0.000 2.469 221 L HA 0.699 5.048 4.340 0.015 0.000 0.253 221 L C 1.005 177.913 176.870 0.063 0.000 1.143 221 L CA -1.213 53.630 54.840 0.005 0.000 0.804 221 L CB 0.182 42.163 42.059 -0.130 0.000 1.214 221 L HN 0.455 nan 8.230 nan 0.000 0.476 222 A N -0.479 122.414 122.820 0.121 0.000 2.448 222 A HA 0.089 4.417 4.320 0.015 0.000 0.239 222 A C 1.111 178.760 177.584 0.109 0.000 1.080 222 A CA -0.354 51.753 52.037 0.118 0.000 0.779 222 A CB 0.159 19.238 19.000 0.132 0.000 1.026 222 A HN 0.922 nan 8.150 nan 0.000 0.499 223 C N 1.231 120.576 119.300 0.075 0.000 2.440 223 C HA -0.057 4.412 4.460 0.015 0.000 0.282 223 C C 2.993 178.012 174.990 0.049 0.000 1.223 223 C CA 1.586 60.633 59.018 0.048 0.000 1.744 223 C CB -1.715 26.045 27.740 0.034 0.000 2.061 223 C HN 1.045 nan 8.230 nan 0.000 0.456 224 G N -1.127 107.699 108.800 0.045 0.000 2.597 224 G HA2 -0.356 3.613 3.960 0.015 0.000 0.222 224 G HA3 -0.356 3.613 3.960 0.015 0.000 0.222 224 G C 1.482 176.435 174.900 0.089 0.000 1.135 224 G CA 1.693 46.809 45.100 0.027 0.000 0.759 224 G HN 0.567 nan 8.290 nan 0.000 0.595 225 Y N 0.492 120.787 120.300 -0.008 0.000 2.163 225 Y HA 0.030 4.591 4.550 0.017 0.000 0.288 225 Y C 2.610 178.503 175.900 -0.012 0.000 1.136 225 Y CA 0.954 59.059 58.100 0.008 0.000 1.147 225 Y CB -0.771 37.704 38.460 0.025 0.000 0.987 225 Y HN 0.146 nan 8.280 nan 0.000 0.509 226 L N 0.610 121.910 121.223 0.128 0.000 2.017 226 L HA -0.188 4.160 4.340 0.015 0.000 0.208 226 L C 2.422 179.286 176.870 -0.010 0.000 1.073 226 L CA 1.794 56.620 54.840 -0.024 0.000 0.745 226 L CB -0.717 41.272 42.059 -0.117 0.000 0.894 226 L HN 0.071 nan 8.230 nan 0.000 0.432 227 R N -0.744 119.750 120.500 -0.010 0.000 2.096 227 R HA -0.138 4.211 4.340 0.015 0.000 0.235 227 R C 2.143 178.449 176.300 0.010 0.000 1.127 227 R CA 1.369 57.455 56.100 -0.023 0.000 0.968 227 R CB -0.485 29.777 30.300 -0.062 0.000 0.861 227 R HN 0.470 nan 8.270 nan 0.000 0.440 228 N N 0.714 119.424 118.700 0.017 0.000 2.106 228 N HA -0.120 4.629 4.740 0.015 0.000 0.188 228 N C 1.873 177.471 175.510 0.145 0.000 1.029 228 N CA 1.150 54.215 53.050 0.025 0.000 0.848 228 N CB -0.090 38.413 38.487 0.026 0.000 1.007 228 N HN 0.153 nan 8.380 nan 0.000 0.423 229 L N 0.812 122.128 121.223 0.155 0.000 2.012 229 L HA -0.191 4.158 4.340 0.015 0.000 0.210 229 L C 2.324 179.236 176.870 0.070 0.000 1.073 229 L CA 1.260 56.167 54.840 0.111 0.000 0.748 229 L CB -0.728 41.363 42.059 0.053 0.000 0.891 229 L HN 0.174 nan 8.230 nan 0.000 0.431 230 T N -1.716 112.873 114.554 0.059 0.000 2.708 230 T HA -0.259 4.100 4.350 0.015 0.000 0.266 230 T C 1.311 176.062 174.700 0.086 0.000 1.037 230 T CA 1.518 63.646 62.100 0.047 0.000 1.146 230 T CB -0.484 68.400 68.868 0.025 0.000 0.865 230 T HN 0.492 nan 8.240 nan 0.000 0.435 231 W N 1.955 123.221 121.300 -0.057 0.000 2.335 231 W HA -0.204 4.472 4.660 0.026 0.000 0.311 231 W C 2.327 178.822 176.519 -0.039 0.000 1.213 231 W CA 1.704 59.011 57.345 -0.063 0.000 1.274 231 W CB -0.873 28.496 29.460 -0.152 0.000 1.148 231 W HN 0.110 nan 8.180 nan 0.000 0.498 232 T N 1.320 115.828 114.554 -0.077 0.000 2.788 232 T HA -0.207 4.152 4.350 0.015 0.000 0.268 232 T C 1.938 176.516 174.700 -0.203 0.000 1.044 232 T CA 1.664 63.614 62.100 -0.251 0.000 1.139 232 T CB -0.509 68.351 68.868 -0.014 0.000 0.867 232 T HN 0.142 nan 8.240 nan 0.000 0.454 233 L N 1.338 122.506 121.223 -0.093 0.000 2.083 233 L HA -0.108 4.240 4.340 0.015 0.000 0.209 233 L C 2.886 179.716 176.870 -0.067 0.000 1.083 233 L CA 1.535 56.342 54.840 -0.056 0.000 0.752 233 L CB -0.601 41.449 42.059 -0.015 0.000 0.899 233 L HN 0.407 nan 8.230 nan 0.000 0.433 234 S N -0.641 115.004 115.700 -0.092 0.000 2.423 234 S HA -0.142 4.337 4.470 0.015 0.000 0.231 234 S C 1.667 176.254 174.600 -0.022 0.000 1.014 234 S CA 1.113 59.308 58.200 -0.009 0.000 0.965 234 S CB -0.314 62.898 63.200 0.021 0.000 0.785 234 S HN 0.407 nan 8.310 nan 0.000 0.495 235 N N 1.747 120.287 118.700 -0.267 0.000 2.354 235 N HA 0.184 4.933 4.740 0.015 0.000 0.179 235 N C 1.556 176.972 175.510 -0.156 0.000 1.021 235 N CA 0.902 53.778 53.050 -0.291 0.000 0.887 235 N CB -0.533 37.648 38.487 -0.510 0.000 0.974 235 N HN 0.459 nan 8.380 nan 0.000 0.437 236 L N -0.508 120.650 121.223 -0.108 0.000 2.362 236 L HA -0.053 4.296 4.340 0.015 0.000 0.219 236 L C 1.504 178.367 176.870 -0.012 0.000 1.134 236 L CA 0.450 55.262 54.840 -0.047 0.000 0.807 236 L CB -0.196 41.847 42.059 -0.026 0.000 0.927 236 L HN 0.178 nan 8.230 nan 0.000 0.447 237 C N -0.998 118.315 119.300 0.022 0.000 2.696 237 C HA 0.103 4.572 4.460 0.015 0.000 0.264 237 C C 1.623 176.668 174.990 0.093 0.000 1.288 237 C CA -0.392 58.677 59.018 0.086 0.000 1.717 237 C CB -0.756 27.078 27.740 0.158 0.000 1.893 237 C HN 0.322 nan 8.230 nan 0.000 0.577 238 R N 1.240 121.719 120.500 -0.034 0.000 2.674 238 R HA 0.441 4.789 4.340 0.015 0.000 0.266 238 R C -0.632 175.525 176.300 -0.239 0.000 1.016 238 R CA -0.005 55.917 56.100 -0.296 0.000 1.062 238 R CB 0.463 30.388 30.300 -0.625 0.000 1.142 238 R HN 0.528 nan 8.270 nan 0.000 0.517 239 N N 0.113 118.638 118.700 -0.292 0.000 5.617 239 N HA -0.174 4.575 4.740 0.015 0.000 0.380 239 N C -1.696 173.755 175.510 -0.099 0.000 1.335 239 N CA 0.631 53.570 53.050 -0.184 0.000 2.459 239 N CB -0.142 38.247 38.487 -0.163 0.000 0.592 239 N HN 0.598 nan 8.380 nan 0.000 0.666 240 K N 0.432 120.786 120.400 -0.076 0.000 2.399 240 K HA 0.545 4.874 4.320 0.015 0.000 0.260 240 K C -1.000 175.576 176.600 -0.040 0.000 1.049 240 K CA -0.818 55.443 56.287 -0.043 0.000 0.890 240 K CB 0.947 33.428 32.500 -0.032 0.000 1.430 240 K HN 0.659 nan 8.250 nan 0.000 0.459 241 N N 0.992 119.676 118.700 -0.026 0.000 2.708 241 N HA -0.115 4.634 4.740 0.015 0.000 0.255 241 N C -2.612 172.881 175.510 -0.028 0.000 1.046 241 N CA 0.454 53.489 53.050 -0.025 0.000 0.715 241 N CB -1.419 37.050 38.487 -0.029 0.000 0.895 241 N HN 0.428 nan 8.380 nan 0.000 0.545 242 P HA 0.601 nan 4.420 nan 0.000 0.286 242 P C -0.311 176.980 177.300 -0.014 0.000 1.292 242 P CA -0.595 62.497 63.100 -0.013 0.000 0.842 242 P CB 0.803 32.500 31.700 -0.006 0.000 1.207 243 A N 1.109 123.926 122.820 -0.006 0.000 2.327 243 A HA 0.489 4.818 4.320 0.015 0.000 0.255 243 A C -2.110 175.475 177.584 0.001 0.000 1.099 243 A CA -1.059 50.977 52.037 -0.002 0.000 0.801 243 A CB -1.635 17.370 19.000 0.009 0.000 1.062 243 A HN 0.433 nan 8.150 nan 0.000 0.496 244 P HA 0.239 nan 4.420 nan 0.000 0.269 244 P C -2.510 174.798 177.300 0.013 0.000 1.209 244 P CA -0.879 62.226 63.100 0.009 0.000 0.776 244 P CB -0.517 31.192 31.700 0.014 0.000 0.876 245 P HA -0.091 nan 4.420 nan 0.000 0.261 245 P C 1.239 178.548 177.300 0.014 0.000 1.173 245 P CA 0.259 63.367 63.100 0.013 0.000 0.760 245 P CB -0.038 31.670 31.700 0.014 0.000 0.783 246 I N 2.879 123.457 120.570 0.012 0.000 2.194 246 I HA -0.247 3.932 4.170 0.015 0.000 0.246 246 I C 1.441 177.565 176.117 0.012 0.000 1.093 246 I CA 1.810 63.118 61.300 0.013 0.000 1.355 246 I CB -1.975 36.032 38.000 0.011 0.000 1.046 246 I HN 0.327 nan 8.210 nan 0.000 0.413 247 D N 2.394 122.801 120.400 0.011 0.000 2.144 247 D HA -0.153 4.496 4.640 0.015 0.000 0.199 247 D C 2.121 178.428 176.300 0.012 0.000 0.984 247 D CA 1.664 55.671 54.000 0.010 0.000 0.834 247 D CB -0.519 40.286 40.800 0.009 0.000 0.955 247 D HN 0.465 nan 8.370 nan 0.000 0.465 248 A N 1.229 124.058 122.820 0.014 0.000 1.908 248 A HA -0.107 4.222 4.320 0.015 0.000 0.218 248 A C 2.657 180.251 177.584 0.017 0.000 1.181 248 A CA 1.630 53.677 52.037 0.017 0.000 0.627 248 A CB -0.867 18.144 19.000 0.019 0.000 0.818 248 A HN 0.189 nan 8.150 nan 0.000 0.445 249 V N 0.039 119.964 119.914 0.018 0.000 2.307 249 V HA -0.198 3.931 4.120 0.015 0.000 0.245 249 V C 2.550 178.654 176.094 0.017 0.000 1.045 249 V CA 2.034 64.346 62.300 0.020 0.000 1.024 249 V CB -0.746 31.091 31.823 0.023 0.000 0.651 249 V HN 0.484 nan 8.190 nan 0.000 0.449 250 E N -0.138 120.071 120.200 0.014 0.000 2.160 250 E HA -0.268 4.090 4.350 0.015 0.000 0.195 250 E C 2.183 178.790 176.600 0.011 0.000 0.991 250 E CA 1.472 57.879 56.400 0.012 0.000 0.810 250 E CB -0.135 29.570 29.700 0.009 0.000 0.742 250 E HN 0.733 nan 8.360 nan 0.000 0.466 251 Q N -0.271 119.536 119.800 0.012 0.000 2.212 251 Q HA 0.025 4.373 4.340 0.015 0.000 0.199 251 Q C 2.253 178.260 176.000 0.012 0.000 0.950 251 Q CA 0.347 56.156 55.803 0.011 0.000 0.863 251 Q CB 0.151 28.896 28.738 0.012 0.000 0.944 251 Q HN 0.230 nan 8.270 nan 0.000 0.465 252 I N 0.505 121.084 120.570 0.014 0.000 2.252 252 I HA -0.283 3.896 4.170 0.015 0.000 0.245 252 I C 2.111 178.236 176.117 0.013 0.000 1.102 252 I CA 0.737 62.045 61.300 0.013 0.000 1.385 252 I CB -0.116 37.893 38.000 0.015 0.000 1.064 252 I HN 0.280 nan 8.210 nan 0.000 0.414 253 L N 0.798 122.029 121.223 0.014 0.000 1.990 253 L HA -0.201 4.148 4.340 0.015 0.000 0.213 253 L C -0.274 176.604 176.870 0.014 0.000 1.072 253 L CA 2.005 56.854 54.840 0.014 0.000 0.755 253 L CB -1.793 40.273 42.059 0.013 0.000 0.889 253 L HN 0.171 nan 8.230 nan 0.000 0.432 254 P HA -0.168 nan 4.420 nan 0.000 0.217 254 P C 1.521 178.830 177.300 0.015 0.000 1.148 254 P CA 1.561 64.668 63.100 0.011 0.000 0.828 254 P CB -0.097 31.606 31.700 0.006 0.000 0.783 255 T N -0.740 113.822 114.554 0.013 0.000 2.777 255 T HA -0.074 4.285 4.350 0.015 0.000 0.266 255 T C 1.609 176.321 174.700 0.020 0.000 1.040 255 T CA 0.852 62.960 62.100 0.014 0.000 1.141 255 T CB -0.689 68.184 68.868 0.008 0.000 0.868 255 T HN -0.060 nan 8.240 nan 0.000 0.444 256 L N 1.095 122.328 121.223 0.018 0.000 2.046 256 L HA -0.033 4.315 4.340 0.015 0.000 0.208 256 L C 2.625 179.514 176.870 0.033 0.000 1.077 256 L CA 1.179 56.029 54.840 0.017 0.000 0.747 256 L CB -1.251 40.813 42.059 0.008 0.000 0.896 256 L HN 0.126 nan 8.230 nan 0.000 0.432 257 V N -0.396 119.544 119.914 0.043 0.000 2.282 257 V HA -0.351 3.778 4.120 0.015 0.000 0.249 257 V C 2.770 178.951 176.094 0.146 0.000 1.057 257 V CA 2.159 64.507 62.300 0.082 0.000 1.032 257 V CB -0.605 31.253 31.823 0.058 0.000 0.645 257 V HN 0.462 nan 8.190 nan 0.000 0.447 258 R N -0.405 120.150 120.500 0.092 0.000 2.075 258 R HA -0.069 4.280 4.340 0.015 0.000 0.232 258 R C 2.266 178.649 176.300 0.139 0.000 1.126 258 R CA 1.327 57.489 56.100 0.105 0.000 0.963 258 R CB -0.260 30.069 30.300 0.049 0.000 0.858 258 R HN 0.458 nan 8.270 nan 0.000 0.435 259 L N 0.669 121.945 121.223 0.089 0.000 2.131 259 L HA -0.173 4.176 4.340 0.015 0.000 0.210 259 L C 2.352 179.263 176.870 0.069 0.000 1.092 259 L CA 0.777 55.659 54.840 0.071 0.000 0.759 259 L CB -0.321 41.746 42.059 0.014 0.000 0.903 259 L HN 0.327 nan 8.230 nan 0.000 0.435 260 L N -0.741 120.511 121.223 0.049 0.000 2.362 260 L HA -0.213 4.136 4.340 0.015 0.000 0.219 260 L C 1.691 178.477 176.870 -0.140 0.000 1.134 260 L CA 1.345 56.156 54.840 -0.050 0.000 0.807 260 L CB -0.333 41.674 42.059 -0.086 0.000 0.927 260 L HN 0.412 nan 8.230 nan 0.000 0.447 261 H N -3.143 115.943 119.070 0.026 0.000 2.586 261 H HA 0.112 4.676 4.556 0.015 0.000 0.273 261 H C 0.722 176.070 175.328 0.033 0.000 0.997 261 H CA -0.243 55.815 56.048 0.016 0.000 1.177 261 H CB 0.111 29.871 29.762 -0.002 0.000 1.471 261 H HN 0.196 nan 8.280 nan 0.000 0.538 262 H N 1.035 120.137 119.070 0.052 0.000 2.660 262 H HA -0.033 4.532 4.556 0.016 0.000 0.374 262 H C 0.179 175.507 175.328 0.001 0.000 1.291 262 H CA 0.504 56.567 56.048 0.025 0.000 1.437 262 H CB 1.110 30.879 29.762 0.013 0.000 1.509 262 H HN 0.325 nan 8.280 nan 0.000 0.614 263 D N 0.203 120.597 120.400 -0.011 0.000 2.366 263 D HA -0.011 4.638 4.640 0.015 0.000 0.205 263 D C 0.011 176.411 176.300 0.167 0.000 1.022 263 D CA 0.057 54.082 54.000 0.041 0.000 0.868 263 D CB 0.050 40.801 40.800 -0.081 0.000 0.953 263 D HN 0.428 nan 8.370 nan 0.000 0.514 264 D N 0.735 121.372 120.400 0.394 0.000 2.371 264 D HA 0.070 4.719 4.640 0.015 0.000 0.256 264 D C -1.531 174.812 176.300 0.072 0.000 1.193 264 D CA -1.722 52.381 54.000 0.171 0.000 0.881 264 D CB 1.625 42.477 40.800 0.087 0.000 1.143 264 D HN -0.185 nan 8.370 nan 0.000 0.473 265 P HA -0.157 nan 4.420 nan 0.000 0.216 265 P C 0.674 177.980 177.300 0.011 0.000 1.153 265 P CA 1.287 64.397 63.100 0.016 0.000 0.858 265 P CB 0.230 31.938 31.700 0.012 0.000 0.789 266 E N -0.963 119.242 120.200 0.009 0.000 2.112 266 E HA -0.079 4.280 4.350 0.015 0.000 0.190 266 E C 1.950 178.555 176.600 0.009 0.000 0.979 266 E CA 0.699 57.105 56.400 0.010 0.000 0.814 266 E CB -0.464 29.231 29.700 -0.009 0.000 0.762 266 E HN -0.009 nan 8.360 nan 0.000 0.460 267 V N 1.442 121.340 119.914 -0.026 0.000 2.343 267 V HA -0.267 3.862 4.120 0.015 0.000 0.247 267 V C 2.260 178.341 176.094 -0.022 0.000 1.051 267 V CA 1.473 63.742 62.300 -0.052 0.000 1.036 267 V CB -0.452 31.263 31.823 -0.179 0.000 0.654 267 V HN 0.271 nan 8.190 nan 0.000 0.451 268 L N -0.019 121.195 121.223 -0.015 0.000 2.056 268 L HA -0.130 4.219 4.340 0.015 0.000 0.207 268 L C 2.789 179.628 176.870 -0.052 0.000 1.078 268 L CA 1.454 56.274 54.840 -0.033 0.000 0.749 268 L CB -0.852 41.186 42.059 -0.036 0.000 0.901 268 L HN 0.351 nan 8.230 nan 0.000 0.433 269 A N 0.205 123.013 122.820 -0.020 0.000 1.873 269 A HA -0.277 4.051 4.320 0.015 0.000 0.218 269 A C 1.935 179.558 177.584 0.064 0.000 1.193 269 A CA 2.354 54.386 52.037 -0.008 0.000 0.629 269 A CB -0.660 18.398 19.000 0.098 0.000 0.826 269 A HN 0.382 nan 8.150 nan 0.000 0.447 270 D N -1.097 119.397 120.400 0.157 0.000 2.224 270 D HA -0.036 4.613 4.640 0.015 0.000 0.205 270 D C 1.975 178.333 176.300 0.097 0.000 0.965 270 D CA 1.516 55.659 54.000 0.238 0.000 0.852 270 D CB -0.511 40.423 40.800 0.224 0.000 0.947 270 D HN 0.439 nan 8.370 nan 0.000 0.494 271 T N 0.006 114.568 114.554 0.014 0.000 2.777 271 T HA -0.123 4.236 4.350 0.015 0.000 0.266 271 T C 2.247 176.895 174.700 -0.087 0.000 1.040 271 T CA 0.757 62.839 62.100 -0.029 0.000 1.141 271 T CB -0.444 68.403 68.868 -0.035 0.000 0.868 271 T HN 0.233 nan 8.240 nan 0.000 0.444 272 C N 0.110 119.319 119.300 -0.150 0.000 2.413 272 C HA -0.093 4.376 4.460 0.015 0.000 0.276 272 C C 2.418 177.202 174.990 -0.342 0.000 1.236 272 C CA -0.004 58.853 59.018 -0.268 0.000 1.735 272 C CB -1.523 25.994 27.740 -0.372 0.000 2.031 272 C HN 0.705 nan 8.230 nan 0.000 0.474 273 W N 1.093 122.226 121.300 -0.279 0.000 2.318 273 W HA -0.182 4.488 4.660 0.017 0.000 0.313 273 W C 2.719 178.688 176.519 -0.917 0.000 1.221 273 W CA 1.317 58.315 57.345 -0.579 0.000 1.266 273 W CB -0.711 28.482 29.460 -0.444 0.000 1.150 273 W HN 0.310 nan 8.180 nan 0.000 0.496 274 A N 0.472 123.132 122.820 -0.266 0.000 1.873 274 A HA -0.247 4.082 4.320 0.015 0.000 0.218 274 A C 1.838 179.358 177.584 -0.106 0.000 1.193 274 A CA 2.109 54.060 52.037 -0.142 0.000 0.629 274 A CB -1.139 17.852 19.000 -0.014 0.000 0.826 274 A HN 0.320 nan 8.150 nan 0.000 0.447 275 I N 0.668 121.174 120.570 -0.106 0.000 2.335 275 I HA -0.273 3.906 4.170 0.015 0.000 0.251 275 I C 2.862 178.945 176.117 -0.056 0.000 1.129 275 I CA 1.625 62.886 61.300 -0.065 0.000 1.402 275 I CB -0.188 37.765 38.000 -0.078 0.000 1.069 275 I HN 0.570 nan 8.210 nan 0.000 0.424 276 S N 0.257 115.876 115.700 -0.136 0.000 2.406 276 S HA -0.177 4.302 4.470 0.015 0.000 0.228 276 S C 2.064 176.732 174.600 0.113 0.000 1.020 276 S CA 0.698 58.869 58.200 -0.048 0.000 0.965 276 S CB -0.607 62.534 63.200 -0.099 0.000 0.798 276 S HN 0.362 nan 8.310 nan 0.000 0.488 277 Y N 2.176 122.547 120.300 0.119 0.000 2.181 277 Y HA 0.106 4.664 4.550 0.013 0.000 0.288 277 Y C 2.324 178.254 175.900 0.051 0.000 1.146 277 Y CA 0.158 58.308 58.100 0.083 0.000 1.164 277 Y CB -1.108 37.390 38.460 0.062 0.000 0.982 277 Y HN 0.240 nan 8.280 nan 0.000 0.515 278 L N -0.457 120.871 121.223 0.175 0.000 2.156 278 L HA -0.140 4.208 4.340 0.015 0.000 0.208 278 L C 2.279 179.197 176.870 0.081 0.000 1.095 278 L CA 1.776 56.679 54.840 0.105 0.000 0.770 278 L CB -0.922 41.176 42.059 0.066 0.000 0.914 278 L HN 0.315 nan 8.230 nan 0.000 0.439 279 T N -4.610 109.991 114.554 0.077 0.000 3.113 279 T HA -0.084 4.275 4.350 0.015 0.000 0.256 279 T C 0.844 175.597 174.700 0.089 0.000 1.131 279 T CA 0.052 62.191 62.100 0.065 0.000 1.074 279 T CB -0.278 68.618 68.868 0.047 0.000 0.944 279 T HN 0.042 nan 8.240 nan 0.000 0.516 280 D N 1.638 122.108 120.400 0.118 0.000 2.558 280 D HA 0.515 5.163 4.640 0.015 0.000 0.221 280 D C 0.407 176.759 176.300 0.087 0.000 1.143 280 D CA 0.059 54.133 54.000 0.124 0.000 1.010 280 D CB -0.247 40.649 40.800 0.160 0.000 1.068 280 D HN 0.570 nan 8.370 nan 0.000 0.511 281 G N 2.139 110.981 108.800 0.070 0.000 2.427 281 G HA2 0.334 4.302 3.960 0.015 0.000 0.306 281 G HA3 0.334 4.302 3.960 0.015 0.000 0.306 281 G C -2.940 171.984 174.900 0.039 0.000 1.280 281 G CA -0.857 44.272 45.100 0.049 0.000 0.837 281 G HN 0.178 nan 8.290 nan 0.000 0.482 282 P HA 0.240 nan 4.420 nan 0.000 0.277 282 P C 0.294 177.605 177.300 0.018 0.000 1.271 282 P CA -0.458 62.654 63.100 0.021 0.000 0.795 282 P CB 0.834 32.544 31.700 0.017 0.000 1.101 283 N N 0.637 119.345 118.700 0.012 0.000 2.132 283 N HA -0.208 4.541 4.740 0.015 0.000 0.191 283 N C 1.346 176.861 175.510 0.008 0.000 1.015 283 N CA 1.614 54.669 53.050 0.008 0.000 0.864 283 N CB -0.612 37.877 38.487 0.004 0.000 1.006 283 N HN 0.519 nan 8.380 nan 0.000 0.430 284 E N 0.517 120.723 120.200 0.010 0.000 2.051 284 E HA -0.074 4.285 4.350 0.015 0.000 0.192 284 E C 2.028 178.635 176.600 0.012 0.000 0.991 284 E CA 0.891 57.297 56.400 0.009 0.000 0.799 284 E CB -0.057 29.649 29.700 0.010 0.000 0.748 284 E HN 0.230 nan 8.360 nan 0.000 0.449 285 R N 0.393 120.903 120.500 0.017 0.000 2.075 285 R HA 0.014 4.363 4.340 0.015 0.000 0.232 285 R C 2.481 178.794 176.300 0.022 0.000 1.126 285 R CA 0.942 57.055 56.100 0.022 0.000 0.963 285 R CB -0.773 29.545 30.300 0.030 0.000 0.858 285 R HN 0.290 nan 8.270 nan 0.000 0.435 286 I N 0.303 120.885 120.570 0.020 0.000 2.208 286 I HA -0.200 3.979 4.170 0.015 0.000 0.245 286 I C 2.411 178.533 176.117 0.008 0.000 1.097 286 I CA 1.663 62.972 61.300 0.015 0.000 1.363 286 I CB -0.644 37.362 38.000 0.011 0.000 1.051 286 I HN 0.256 nan 8.210 nan 0.000 0.413 287 G N 0.417 109.221 108.800 0.006 0.000 2.448 287 G HA2 -0.207 3.762 3.960 0.015 0.000 0.219 287 G HA3 -0.207 3.762 3.960 0.015 0.000 0.219 287 G C 1.693 176.595 174.900 0.004 0.000 1.127 287 G CA 0.440 45.542 45.100 0.003 0.000 0.766 287 G HN 0.266 nan 8.290 nan 0.000 0.552 288 M N 0.027 119.632 119.600 0.008 0.000 2.132 288 M HA -0.001 4.488 4.480 0.015 0.000 0.263 288 M C 2.608 178.912 176.300 0.008 0.000 1.065 288 M CA 0.774 56.079 55.300 0.008 0.000 1.122 288 M CB -0.278 32.329 32.600 0.012 0.000 1.365 288 M HN 0.073 nan 8.290 nan 0.000 0.411 289 V N -0.252 119.667 119.914 0.009 0.000 2.261 289 V HA -0.204 3.925 4.120 0.015 0.000 0.246 289 V C 2.397 178.491 176.094 0.001 0.000 1.047 289 V CA 1.569 63.872 62.300 0.005 0.000 1.015 289 V CB -0.631 31.195 31.823 0.005 0.000 0.642 289 V HN 0.260 nan 8.190 nan 0.000 0.446 290 V N -0.296 119.617 119.914 -0.001 0.000 2.282 290 V HA -0.313 3.816 4.120 0.015 0.000 0.249 290 V C 2.477 178.569 176.094 -0.003 0.000 1.057 290 V CA 2.169 64.466 62.300 -0.005 0.000 1.032 290 V CB -0.678 31.141 31.823 -0.007 0.000 0.645 290 V HN 0.453 nan 8.190 nan 0.000 0.447 291 K N -0.472 119.927 120.400 -0.001 0.000 2.362 291 K HA -0.092 4.237 4.320 0.015 0.000 0.200 291 K C 2.127 178.728 176.600 0.001 0.000 1.046 291 K CA 1.113 57.400 56.287 -0.000 0.000 0.952 291 K CB -0.702 31.799 32.500 0.000 0.000 0.753 291 K HN 0.401 nan 8.250 nan 0.000 0.466 292 T N -1.232 113.324 114.554 0.003 0.000 2.951 292 T HA -0.006 4.353 4.350 0.015 0.000 0.268 292 T C 1.179 175.884 174.700 0.008 0.000 1.073 292 T CA 1.354 63.458 62.100 0.006 0.000 1.134 292 T CB -0.172 68.702 68.868 0.009 0.000 0.884 292 T HN 0.499 nan 8.240 nan 0.000 0.479 293 G N 0.090 108.894 108.800 0.007 0.000 2.157 293 G HA2 -0.292 3.677 3.960 0.015 0.000 0.239 293 G HA3 -0.292 3.677 3.960 0.015 0.000 0.239 293 G C 1.075 175.988 174.900 0.022 0.000 0.982 293 G CA 0.561 45.667 45.100 0.010 0.000 0.650 293 G HN 0.825 nan 8.290 nan 0.000 0.527 294 V N -1.374 118.552 119.914 0.019 0.000 3.041 294 V HA 0.073 4.202 4.120 0.015 0.000 0.260 294 V C 2.507 178.595 176.094 -0.011 0.000 1.105 294 V CA 1.612 63.924 62.300 0.020 0.000 1.125 294 V CB -0.479 31.346 31.823 0.004 0.000 0.730 294 V HN 0.364 nan 8.190 nan 0.000 0.479 295 V N 0.939 120.842 119.914 -0.017 0.000 2.282 295 V HA -0.159 3.970 4.120 0.015 0.000 0.249 295 V C 0.539 176.606 176.094 -0.045 0.000 1.057 295 V CA 2.881 65.160 62.300 -0.035 0.000 1.032 295 V CB -2.018 29.785 31.823 -0.032 0.000 0.645 295 V HN 0.524 nan 8.190 nan 0.000 0.447 296 P HA -0.173 nan 4.420 nan 0.000 0.217 296 P C 1.734 179.003 177.300 -0.053 0.000 1.150 296 P CA 1.348 64.427 63.100 -0.035 0.000 0.832 296 P CB 0.008 31.701 31.700 -0.011 0.000 0.787 297 Q N -0.208 119.561 119.800 -0.052 0.000 2.119 297 Q HA -0.105 4.244 4.340 0.015 0.000 0.201 297 Q C 2.005 177.918 176.000 -0.146 0.000 0.972 297 Q CA 1.449 57.176 55.803 -0.127 0.000 0.847 297 Q CB -1.241 27.363 28.738 -0.222 0.000 0.903 297 Q HN 0.154 nan 8.270 nan 0.000 0.433 298 L N -0.828 120.323 121.223 -0.120 0.000 2.042 298 L HA -0.192 4.156 4.340 0.015 0.000 0.210 298 L C 2.260 179.048 176.870 -0.137 0.000 1.076 298 L CA 1.082 55.844 54.840 -0.129 0.000 0.749 298 L CB -0.550 41.443 42.059 -0.109 0.000 0.893 298 L HN 0.134 nan 8.230 nan 0.000 0.432 299 V N -0.085 119.755 119.914 -0.123 0.000 2.407 299 V HA -0.301 3.827 4.120 0.015 0.000 0.248 299 V C 2.533 178.543 176.094 -0.140 0.000 1.055 299 V CA 1.837 64.052 62.300 -0.140 0.000 1.049 299 V CB -0.500 31.250 31.823 -0.121 0.000 0.662 299 V HN 0.433 nan 8.190 nan 0.000 0.455 300 K N 0.043 120.372 120.400 -0.118 0.000 2.103 300 K HA -0.142 4.187 4.320 0.015 0.000 0.207 300 K C 1.962 178.490 176.600 -0.121 0.000 1.048 300 K CA 1.508 57.729 56.287 -0.110 0.000 0.930 300 K CB -0.204 32.237 32.500 -0.098 0.000 0.716 300 K HN 0.413 nan 8.250 nan 0.000 0.444 301 L N 0.973 122.113 121.223 -0.137 0.000 2.465 301 L HA -0.078 4.271 4.340 0.015 0.000 0.224 301 L C 1.919 178.704 176.870 -0.142 0.000 1.145 301 L CA 0.287 55.044 54.840 -0.137 0.000 0.834 301 L CB -0.190 41.778 42.059 -0.153 0.000 0.944 301 L HN 0.220 nan 8.230 nan 0.000 0.451 302 L N -0.312 120.816 121.223 -0.158 0.000 2.353 302 L HA -0.098 4.251 4.340 0.015 0.000 0.220 302 L C 2.212 178.993 176.870 -0.149 0.000 1.133 302 L CA 1.046 55.781 54.840 -0.174 0.000 0.798 302 L CB -0.591 41.329 42.059 -0.231 0.000 0.922 302 L HN 0.330 nan 8.230 nan 0.000 0.445 303 G N -0.704 108.019 108.800 -0.127 0.000 3.088 303 G HA2 0.278 4.247 3.960 0.015 0.000 0.217 303 G HA3 0.278 4.247 3.960 0.015 0.000 0.217 303 G C 0.713 175.566 174.900 -0.078 0.000 1.159 303 G CA 0.302 45.341 45.100 -0.101 0.000 0.760 303 G HN 0.309 nan 8.290 nan 0.000 0.550 304 A N 0.972 123.742 122.820 -0.083 0.000 2.531 304 A HA 0.415 4.744 4.320 0.015 0.000 0.236 304 A C 1.854 179.407 177.584 -0.053 0.000 1.062 304 A CA 0.667 52.665 52.037 -0.066 0.000 0.760 304 A CB 0.384 19.339 19.000 -0.075 0.000 0.995 304 A HN 0.729 nan 8.150 nan 0.000 0.501 305 S N 1.080 116.757 115.700 -0.038 0.000 2.481 305 S HA -0.031 4.448 4.470 0.015 0.000 0.231 305 S C 0.245 174.832 174.600 -0.023 0.000 0.996 305 S CA 0.895 59.079 58.200 -0.027 0.000 0.942 305 S CB -0.311 62.878 63.200 -0.019 0.000 0.768 305 S HN 0.714 nan 8.310 nan 0.000 0.520 306 E N 1.239 121.423 120.200 -0.026 0.000 2.223 306 E HA 0.356 4.714 4.350 0.015 0.000 0.282 306 E C 0.538 177.124 176.600 -0.024 0.000 1.046 306 E CA -0.322 56.067 56.400 -0.019 0.000 0.857 306 E CB 1.174 30.864 29.700 -0.016 0.000 1.055 306 E HN 0.116 nan 8.360 nan 0.000 0.409 307 L N 6.653 127.871 121.223 -0.009 0.000 2.093 307 L HA -0.015 4.334 4.340 0.015 0.000 0.208 307 L C -1.043 175.827 176.870 -0.000 0.000 1.085 307 L CA 1.671 56.508 54.840 -0.005 0.000 0.755 307 L CB -0.756 41.311 42.059 0.015 0.000 0.904 307 L HN 0.497 nan 8.230 nan 0.000 0.435 308 P HA -0.161 nan 4.420 nan 0.000 0.220 308 P C 1.765 179.049 177.300 -0.026 0.000 1.144 308 P CA 1.680 64.813 63.100 0.056 0.000 0.800 308 P CB 0.013 31.755 31.700 0.070 0.000 0.772 309 I N -2.367 118.159 120.570 -0.074 0.000 2.810 309 I HA -0.087 4.092 4.170 0.015 0.000 0.262 309 I C 2.136 178.134 176.117 -0.199 0.000 1.131 309 I CA 0.460 61.672 61.300 -0.147 0.000 1.453 309 I CB -0.506 37.431 38.000 -0.105 0.000 1.161 309 I HN -0.245 nan 8.210 nan 0.000 0.444 310 V N 1.188 121.017 119.914 -0.143 0.000 2.252 310 V HA -0.323 3.806 4.120 0.015 0.000 0.249 310 V C 2.567 178.551 176.094 -0.183 0.000 1.056 310 V CA 2.706 64.920 62.300 -0.144 0.000 1.022 310 V CB -1.110 30.657 31.823 -0.094 0.000 0.641 310 V HN 0.464 nan 8.190 nan 0.000 0.445 311 T N 0.878 115.328 114.554 -0.173 0.000 2.607 311 T HA -0.134 4.225 4.350 0.015 0.000 0.267 311 T C 0.018 174.466 174.700 -0.420 0.000 1.049 311 T CA 2.232 64.220 62.100 -0.186 0.000 1.162 311 T CB -1.482 67.352 68.868 -0.056 0.000 0.863 311 T HN 0.515 nan 8.240 nan 0.000 0.424 312 P HA 0.095 nan 4.420 nan 0.000 0.219 312 P C 1.434 178.390 177.300 -0.574 0.000 1.150 312 P CA 1.204 63.589 63.100 -1.192 0.000 0.814 312 P CB -0.196 30.355 31.700 -1.915 0.000 0.787 313 A N 0.292 122.865 122.820 -0.412 0.000 1.877 313 A HA -0.164 4.164 4.320 0.015 0.000 0.216 313 A C 2.218 179.689 177.584 -0.189 0.000 1.186 313 A CA 1.536 53.415 52.037 -0.264 0.000 0.620 313 A CB -1.679 17.189 19.000 -0.221 0.000 0.822 313 A HN 0.161 nan 8.150 nan 0.000 0.443 314 L N -0.170 120.952 121.223 -0.168 0.000 2.046 314 L HA -0.125 4.224 4.340 0.015 0.000 0.208 314 L C 2.389 179.264 176.870 0.010 0.000 1.077 314 L CA 2.517 57.311 54.840 -0.077 0.000 0.747 314 L CB -0.688 41.343 42.059 -0.046 0.000 0.896 314 L HN 0.422 nan 8.230 nan 0.000 0.432 315 R N 0.185 120.667 120.500 -0.030 0.000 2.081 315 R HA -0.082 4.267 4.340 0.015 0.000 0.235 315 R C 2.134 178.487 176.300 0.089 0.000 1.131 315 R CA 1.789 57.941 56.100 0.087 0.000 0.960 315 R CB -0.962 29.360 30.300 0.036 0.000 0.856 315 R HN 0.469 nan 8.270 nan 0.000 0.436 316 A N 0.859 123.659 122.820 -0.034 0.000 1.877 316 A HA -0.103 4.226 4.320 0.015 0.000 0.216 316 A C 2.152 179.733 177.584 -0.006 0.000 1.186 316 A CA 1.584 53.607 52.037 -0.024 0.000 0.620 316 A CB -0.544 18.403 19.000 -0.089 0.000 0.822 316 A HN 0.315 nan 8.150 nan 0.000 0.443 317 I N 0.018 120.570 120.570 -0.030 0.000 2.226 317 I HA -0.196 3.983 4.170 0.015 0.000 0.245 317 I C 2.713 178.811 176.117 -0.032 0.000 1.100 317 I CA 1.549 62.829 61.300 -0.033 0.000 1.374 317 I CB -1.954 36.014 38.000 -0.054 0.000 1.057 317 I HN 0.371 nan 8.210 nan 0.000 0.413 318 G N 1.393 110.195 108.800 0.003 0.000 2.476 318 G HA2 -0.291 3.678 3.960 0.015 0.000 0.218 318 G HA3 -0.291 3.678 3.960 0.015 0.000 0.218 318 G C 1.464 176.267 174.900 -0.163 0.000 1.164 318 G CA 0.783 45.793 45.100 -0.150 0.000 0.768 318 G HN 0.347 nan 8.290 nan 0.000 0.560 319 N N 0.594 119.358 118.700 0.107 0.000 2.244 319 N HA -0.016 4.733 4.740 0.015 0.000 0.183 319 N C 2.214 177.736 175.510 0.020 0.000 1.016 319 N CA 0.623 53.752 53.050 0.131 0.000 0.866 319 N CB -0.228 38.359 38.487 0.166 0.000 0.980 319 N HN 0.380 nan 8.380 nan 0.000 0.430 320 I N 0.759 121.322 120.570 -0.011 0.000 2.226 320 I HA -0.182 3.997 4.170 0.015 0.000 0.245 320 I C 1.801 177.882 176.117 -0.060 0.000 1.100 320 I CA 0.888 62.171 61.300 -0.028 0.000 1.374 320 I CB -0.233 37.750 38.000 -0.028 0.000 1.057 320 I HN -0.001 nan 8.210 nan 0.000 0.413 321 V N -1.781 118.067 119.914 -0.111 0.000 3.630 321 V HA -0.018 4.111 4.120 0.015 0.000 0.273 321 V C 1.940 177.940 176.094 -0.156 0.000 1.248 321 V CA 1.247 63.466 62.300 -0.135 0.000 1.170 321 V CB -1.534 30.188 31.823 -0.168 0.000 0.899 321 V HN 0.538 nan 8.190 nan 0.000 0.457 322 T N -2.810 111.666 114.554 -0.130 0.000 3.129 322 T HA 0.337 4.695 4.350 0.015 0.000 0.251 322 T C 1.185 175.860 174.700 -0.042 0.000 1.117 322 T CA 0.589 62.638 62.100 -0.086 0.000 1.034 322 T CB -0.050 68.812 68.868 -0.010 0.000 0.968 322 T HN 0.653 nan 8.240 nan 0.000 0.526 323 G N 1.939 110.715 108.800 -0.040 0.000 2.783 323 G HA2 0.450 4.418 3.960 0.015 0.000 0.182 323 G HA3 0.450 4.418 3.960 0.015 0.000 0.182 323 G C 0.283 175.167 174.900 -0.026 0.000 1.516 323 G CA 0.059 45.145 45.100 -0.022 0.000 1.079 323 G HN 0.586 nan 8.290 nan 0.000 0.573 324 T N -1.933 112.608 114.554 -0.021 0.000 2.816 324 T HA 0.258 4.617 4.350 0.015 0.000 0.282 324 T C 0.645 175.329 174.700 -0.027 0.000 0.993 324 T CA 0.037 62.125 62.100 -0.020 0.000 0.994 324 T CB 1.184 70.043 68.868 -0.014 0.000 1.025 324 T HN 0.210 nan 8.240 nan 0.000 0.529 325 D N 0.500 120.885 120.400 -0.025 0.000 2.178 325 D HA -0.065 4.584 4.640 0.015 0.000 0.201 325 D C 1.938 178.223 176.300 -0.026 0.000 0.980 325 D CA 1.251 55.234 54.000 -0.028 0.000 0.842 325 D CB -0.124 40.661 40.800 -0.025 0.000 0.948 325 D HN 0.740 nan 8.370 nan 0.000 0.472 326 E N 0.474 120.662 120.200 -0.021 0.000 2.107 326 E HA -0.109 4.249 4.350 0.015 0.000 0.191 326 E C 2.120 178.708 176.600 -0.020 0.000 0.982 326 E CA 0.699 57.088 56.400 -0.018 0.000 0.809 326 E CB -0.127 29.565 29.700 -0.014 0.000 0.756 326 E HN 0.346 nan 8.360 nan 0.000 0.459 327 Q N -0.124 119.664 119.800 -0.021 0.000 2.123 327 Q HA -0.059 4.289 4.340 0.015 0.000 0.199 327 Q C 1.964 177.946 176.000 -0.030 0.000 0.966 327 Q CA 1.545 57.334 55.803 -0.023 0.000 0.845 327 Q CB 0.017 28.742 28.738 -0.021 0.000 0.907 327 Q HN 0.221 nan 8.270 nan 0.000 0.439 328 T N 0.610 115.142 114.554 -0.037 0.000 2.867 328 T HA -0.176 4.182 4.350 0.015 0.000 0.268 328 T C 1.686 176.365 174.700 -0.035 0.000 1.057 328 T CA 1.260 63.333 62.100 -0.045 0.000 1.136 328 T CB -0.108 68.726 68.868 -0.056 0.000 0.874 328 T HN 0.150 nan 8.240 nan 0.000 0.466 329 Q N 0.878 120.660 119.800 -0.030 0.000 2.170 329 Q HA -0.039 4.310 4.340 0.015 0.000 0.203 329 Q C 2.106 178.093 176.000 -0.022 0.000 0.976 329 Q CA 1.058 56.847 55.803 -0.024 0.000 0.858 329 Q CB -0.599 28.128 28.738 -0.020 0.000 0.907 329 Q HN 0.363 nan 8.270 nan 0.000 0.433 330 V N -0.196 119.704 119.914 -0.022 0.000 2.358 330 V HA -0.203 3.926 4.120 0.015 0.000 0.246 330 V C 2.222 178.301 176.094 -0.025 0.000 1.047 330 V CA 1.579 63.866 62.300 -0.021 0.000 1.035 330 V CB -0.686 31.126 31.823 -0.019 0.000 0.658 330 V HN 0.504 nan 8.190 nan 0.000 0.452 331 V N -0.636 119.262 119.914 -0.027 0.000 2.548 331 V HA -0.150 3.979 4.120 0.015 0.000 0.249 331 V C 2.085 178.163 176.094 -0.027 0.000 1.055 331 V CA 1.757 64.040 62.300 -0.028 0.000 1.065 331 V CB -0.394 31.415 31.823 -0.023 0.000 0.681 331 V HN 0.453 nan 8.190 nan 0.000 0.462 332 I N 0.736 121.291 120.570 -0.026 0.000 2.179 332 I HA -0.183 3.995 4.170 0.015 0.000 0.242 332 I C 2.407 178.497 176.117 -0.044 0.000 1.088 332 I CA 2.108 63.384 61.300 -0.040 0.000 1.357 332 I CB -0.672 37.305 38.000 -0.038 0.000 1.051 332 I HN 0.288 nan 8.210 nan 0.000 0.409 333 D N 1.137 121.520 120.400 -0.028 0.000 2.228 333 D HA -0.161 4.487 4.640 0.015 0.000 0.203 333 D C 1.956 178.241 176.300 -0.025 0.000 0.988 333 D CA 1.447 55.436 54.000 -0.019 0.000 0.864 333 D CB -0.100 40.691 40.800 -0.014 0.000 0.928 333 D HN 0.383 nan 8.370 nan 0.000 0.469 334 A N -0.843 121.956 122.820 -0.034 0.000 2.251 334 A HA 0.459 4.787 4.320 0.015 0.000 0.209 334 A C 1.702 179.253 177.584 -0.055 0.000 1.187 334 A CA 0.964 52.977 52.037 -0.040 0.000 0.823 334 A CB 0.039 19.014 19.000 -0.043 0.000 0.846 334 A HN 0.243 nan 8.150 nan 0.000 0.486 335 G N -2.092 106.669 108.800 -0.065 0.000 2.163 335 G HA2 -0.009 3.960 3.960 0.015 0.000 0.213 335 G HA3 -0.009 3.960 3.960 0.015 0.000 0.213 335 G C 1.153 175.981 174.900 -0.120 0.000 0.991 335 G CA 0.790 45.840 45.100 -0.085 0.000 0.653 335 G HN 1.283 nan 8.290 nan 0.000 0.518 336 A N 0.218 122.975 122.820 -0.106 0.000 1.948 336 A HA 0.084 4.413 4.320 0.015 0.000 0.220 336 A C 2.378 179.908 177.584 -0.089 0.000 1.177 336 A CA 1.909 53.862 52.037 -0.141 0.000 0.636 336 A CB -0.369 18.625 19.000 -0.009 0.000 0.815 336 A HN 0.932 nan 8.150 nan 0.000 0.449 337 L N -1.244 119.968 121.223 -0.018 0.000 2.362 337 L HA -0.120 4.229 4.340 0.015 0.000 0.219 337 L C 2.831 179.676 176.870 -0.043 0.000 1.134 337 L CA 0.749 55.615 54.840 0.043 0.000 0.807 337 L CB -0.510 41.352 42.059 -0.328 0.000 0.927 337 L HN 0.465 nan 8.230 nan 0.000 0.447 338 A N -0.231 122.521 122.820 -0.113 0.000 2.021 338 A HA -0.010 4.318 4.320 0.015 0.000 0.216 338 A C 2.133 179.660 177.584 -0.094 0.000 1.163 338 A CA 0.849 52.853 52.037 -0.054 0.000 0.676 338 A CB -0.263 18.720 19.000 -0.027 0.000 0.818 338 A HN 0.231 nan 8.150 nan 0.000 0.453 339 V N -1.986 117.819 119.914 -0.182 0.000 2.951 339 V HA -0.080 4.048 4.120 0.015 0.000 0.255 339 V C 2.081 178.011 176.094 -0.273 0.000 1.088 339 V CA 0.940 63.092 62.300 -0.248 0.000 1.109 339 V CB -1.297 30.318 31.823 -0.346 0.000 0.724 339 V HN 0.490 nan 8.190 nan 0.000 0.471 340 F N 0.898 120.753 119.950 -0.158 0.000 2.120 340 F HA -0.108 4.427 4.527 0.015 0.000 0.300 340 F C 0.269 175.902 175.800 -0.278 0.000 1.095 340 F CA 2.171 60.063 58.000 -0.179 0.000 1.249 340 F CB -1.799 37.104 39.000 -0.161 0.000 0.995 340 F HN 0.300 nan 8.300 nan 0.000 0.480 341 P HA -0.203 nan 4.420 nan 0.000 0.216 341 P C 1.812 178.959 177.300 -0.255 0.000 1.150 341 P CA 1.919 64.606 63.100 -0.688 0.000 0.843 341 P CB -0.093 31.219 31.700 -0.647 0.000 0.787 342 S N -1.135 114.485 115.700 -0.135 0.000 2.355 342 S HA -0.090 4.389 4.470 0.015 0.000 0.222 342 S C 1.767 176.353 174.600 -0.024 0.000 1.031 342 S CA 1.051 59.219 58.200 -0.054 0.000 0.993 342 S CB -1.000 62.158 63.200 -0.070 0.000 0.859 342 S HN -0.019 nan 8.310 nan 0.000 0.453 343 L N 0.986 122.186 121.223 -0.040 0.000 2.093 343 L HA 0.018 4.367 4.340 0.015 0.000 0.208 343 L C 2.238 179.158 176.870 0.083 0.000 1.085 343 L CA 0.773 55.620 54.840 0.012 0.000 0.755 343 L CB -0.517 41.536 42.059 -0.011 0.000 0.904 343 L HN 0.294 nan 8.230 nan 0.000 0.435 344 L N -0.311 120.974 121.223 0.104 0.000 2.362 344 L HA -0.116 4.232 4.340 0.015 0.000 0.219 344 L C 2.017 178.981 176.870 0.156 0.000 1.134 344 L CA 1.424 56.349 54.840 0.142 0.000 0.807 344 L CB -0.670 41.483 42.059 0.155 0.000 0.927 344 L HN 0.441 nan 8.230 nan 0.000 0.447 345 T N -5.350 109.287 114.554 0.139 0.000 3.132 345 T HA 0.093 4.451 4.350 0.015 0.000 0.274 345 T C 0.706 175.460 174.700 0.090 0.000 1.011 345 T CA -0.501 61.683 62.100 0.140 0.000 0.899 345 T CB -0.297 68.682 68.868 0.184 0.000 1.089 345 T HN 0.031 nan 8.240 nan 0.000 0.543 346 N N 3.701 122.443 118.700 0.071 0.000 2.440 346 N HA 0.088 4.837 4.740 0.015 0.000 0.265 346 N C -1.335 174.205 175.510 0.051 0.000 1.239 346 N CA -1.442 51.638 53.050 0.050 0.000 0.909 346 N CB 1.612 40.121 38.487 0.037 0.000 1.066 346 N HN 0.111 nan 8.380 nan 0.000 0.474 347 P HA -0.122 nan 4.420 nan 0.000 0.226 347 P C 0.124 177.449 177.300 0.041 0.000 1.146 347 P CA 0.904 64.030 63.100 0.042 0.000 0.773 347 P CB 0.299 32.020 31.700 0.035 0.000 0.772 348 K N 1.432 121.856 120.400 0.040 0.000 2.273 348 K HA 0.111 4.440 4.320 0.015 0.000 0.287 348 K C 1.253 177.882 176.600 0.049 0.000 1.089 348 K CA 0.186 56.498 56.287 0.042 0.000 0.909 348 K CB 0.537 33.059 32.500 0.037 0.000 1.123 348 K HN 0.018 nan 8.250 nan 0.000 0.473 349 T N 0.328 114.912 114.554 0.051 0.000 2.915 349 T HA -0.149 4.210 4.350 0.015 0.000 0.269 349 T C 1.487 176.223 174.700 0.059 0.000 1.071 349 T CA 1.313 63.447 62.100 0.057 0.000 1.132 349 T CB -0.076 68.825 68.868 0.055 0.000 0.878 349 T HN 0.643 nan 8.240 nan 0.000 0.479 350 N N 0.673 119.406 118.700 0.055 0.000 2.166 350 N HA -0.120 4.629 4.740 0.015 0.000 0.186 350 N C 1.753 177.303 175.510 0.067 0.000 1.019 350 N CA 1.402 54.486 53.050 0.056 0.000 0.856 350 N CB -0.118 38.404 38.487 0.057 0.000 0.993 350 N HN 0.312 nan 8.380 nan 0.000 0.426 351 I N 1.672 122.280 120.570 0.064 0.000 2.252 351 I HA -0.212 3.967 4.170 0.015 0.000 0.245 351 I C 2.436 178.610 176.117 0.094 0.000 1.102 351 I CA 1.136 62.477 61.300 0.068 0.000 1.385 351 I CB -1.405 36.621 38.000 0.045 0.000 1.064 351 I HN 0.294 nan 8.210 nan 0.000 0.414 352 Q N 0.543 120.396 119.800 0.089 0.000 2.061 352 Q HA -0.262 4.087 4.340 0.015 0.000 0.204 352 Q C 2.312 178.384 176.000 0.120 0.000 0.984 352 Q CA 1.855 57.720 55.803 0.104 0.000 0.846 352 Q CB -0.123 28.669 28.738 0.091 0.000 0.902 352 Q HN 0.458 nan 8.270 nan 0.000 0.421 353 K N 0.547 121.009 120.400 0.104 0.000 2.026 353 K HA -0.173 4.156 4.320 0.015 0.000 0.208 353 K C 1.839 178.542 176.600 0.170 0.000 1.048 353 K CA 1.211 57.562 56.287 0.108 0.000 0.929 353 K CB 0.134 32.672 32.500 0.063 0.000 0.713 353 K HN 0.080 nan 8.250 nan 0.000 0.439 354 E N 0.347 120.652 120.200 0.175 0.000 2.077 354 E HA -0.174 4.184 4.350 0.015 0.000 0.193 354 E C 2.006 178.822 176.600 0.359 0.000 0.989 354 E CA 1.184 57.759 56.400 0.292 0.000 0.800 354 E CB -0.185 29.644 29.700 0.215 0.000 0.746 354 E HN 0.464 nan 8.360 nan 0.000 0.452 355 A N 0.952 123.932 122.820 0.267 0.000 1.933 355 A HA -0.172 4.157 4.320 0.015 0.000 0.218 355 A C 2.430 180.133 177.584 0.198 0.000 1.175 355 A CA 2.260 54.495 52.037 0.330 0.000 0.628 355 A CB -0.821 18.383 19.000 0.339 0.000 0.814 355 A HN 0.353 nan 8.150 nan 0.000 0.444 356 T N -2.953 111.701 114.554 0.167 0.000 2.942 356 T HA -0.163 4.196 4.350 0.015 0.000 0.265 356 T C 1.554 176.327 174.700 0.121 0.000 1.062 356 T CA 1.582 63.739 62.100 0.095 0.000 1.139 356 T CB -0.396 68.529 68.868 0.095 0.000 0.883 356 T HN 0.617 nan 8.240 nan 0.000 0.468 357 W N 2.257 123.563 121.300 0.010 0.000 2.317 357 W HA -0.146 4.523 4.660 0.015 0.000 0.318 357 W C 2.128 178.634 176.519 -0.022 0.000 1.227 357 W CA 2.292 59.631 57.345 -0.009 0.000 1.269 357 W CB -0.915 28.538 29.460 -0.011 0.000 1.155 357 W HN 0.197 nan 8.180 nan 0.000 0.484 358 T N 1.489 115.899 114.554 -0.240 0.000 2.684 358 T HA -0.269 4.090 4.350 0.015 0.000 0.267 358 T C 1.900 176.360 174.700 -0.400 0.000 1.036 358 T CA 2.273 64.102 62.100 -0.451 0.000 1.148 358 T CB -0.487 68.345 68.868 -0.060 0.000 0.863 358 T HN 0.067 nan 8.240 nan 0.000 0.436 359 M N 1.828 121.206 119.600 -0.371 0.000 2.149 359 M HA -0.076 4.413 4.480 0.015 0.000 0.261 359 M C 2.776 178.951 176.300 -0.208 0.000 1.064 359 M CA 1.621 56.689 55.300 -0.387 0.000 1.102 359 M CB -1.559 30.826 32.600 -0.357 0.000 1.369 359 M HN 0.446 nan 8.290 nan 0.000 0.408 360 S N 0.462 116.078 115.700 -0.140 0.000 2.399 360 S HA -0.115 4.364 4.470 0.015 0.000 0.231 360 S C 1.620 176.164 174.600 -0.093 0.000 1.022 360 S CA 1.245 59.425 58.200 -0.034 0.000 0.983 360 S CB -0.465 62.786 63.200 0.086 0.000 0.803 360 S HN 0.441 nan 8.310 nan 0.000 0.480 361 N N 1.538 120.089 118.700 -0.248 0.000 2.354 361 N HA 0.211 4.960 4.740 0.015 0.000 0.179 361 N C 1.677 177.084 175.510 -0.171 0.000 1.021 361 N CA 1.028 53.936 53.050 -0.238 0.000 0.887 361 N CB -0.364 37.887 38.487 -0.393 0.000 0.974 361 N HN 0.497 nan 8.380 nan 0.000 0.437 362 I N 0.940 121.399 120.570 -0.185 0.000 2.252 362 I HA -0.197 3.982 4.170 0.015 0.000 0.245 362 I C 1.917 177.986 176.117 -0.080 0.000 1.102 362 I CA 1.266 62.484 61.300 -0.136 0.000 1.385 362 I CB -0.525 37.370 38.000 -0.174 0.000 1.064 362 I HN 0.174 nan 8.210 nan 0.000 0.414 363 T N -1.242 113.284 114.554 -0.047 0.000 3.160 363 T HA 0.160 4.519 4.350 0.015 0.000 0.257 363 T C 1.446 176.154 174.700 0.013 0.000 1.147 363 T CA 0.572 62.680 62.100 0.014 0.000 1.064 363 T CB -0.082 68.862 68.868 0.126 0.000 0.949 363 T HN 0.313 nan 8.240 nan 0.000 0.526 364 A N 0.738 123.556 122.820 -0.004 0.000 2.278 364 A HA 0.641 4.970 4.320 0.015 0.000 0.212 364 A C 1.407 178.980 177.584 -0.018 0.000 1.213 364 A CA -0.007 52.034 52.037 0.007 0.000 0.840 364 A CB -0.691 18.315 19.000 0.010 0.000 0.866 364 A HN 0.610 nan 8.150 nan 0.000 0.489 365 G N -0.398 108.380 108.800 -0.038 0.000 2.494 365 G HA2 0.423 4.392 3.960 0.015 0.000 0.270 365 G HA3 0.423 4.392 3.960 0.015 0.000 0.270 365 G C 0.176 175.048 174.900 -0.046 0.000 1.423 365 G CA -0.902 44.172 45.100 -0.043 0.000 1.055 365 G HN 0.502 nan 8.290 nan 0.000 0.536 366 R N -0.614 119.859 120.500 -0.045 0.000 2.801 366 R HA 0.091 4.440 4.340 0.015 0.000 0.273 366 R C 1.840 178.100 176.300 -0.067 0.000 1.080 366 R CA -0.099 55.973 56.100 -0.047 0.000 1.197 366 R CB 0.461 30.738 30.300 -0.037 0.000 1.109 366 R HN 0.599 nan 8.270 nan 0.000 0.535 367 Q N 1.031 120.789 119.800 -0.070 0.000 2.135 367 Q HA -0.210 4.139 4.340 0.015 0.000 0.204 367 Q C 1.395 177.347 176.000 -0.081 0.000 0.981 367 Q CA 1.829 57.578 55.803 -0.091 0.000 0.856 367 Q CB -0.079 28.614 28.738 -0.074 0.000 0.902 367 Q HN 0.675 nan 8.270 nan 0.000 0.425 368 D N 0.481 120.848 120.400 -0.056 0.000 2.178 368 D HA -0.192 4.457 4.640 0.015 0.000 0.202 368 D C 1.617 177.896 176.300 -0.036 0.000 0.974 368 D CA 1.095 55.070 54.000 -0.042 0.000 0.841 368 D CB -0.301 40.481 40.800 -0.030 0.000 0.953 368 D HN 0.349 nan 8.370 nan 0.000 0.478 369 Q N 0.284 120.059 119.800 -0.042 0.000 2.049 369 Q HA 0.021 4.370 4.340 0.015 0.000 0.198 369 Q C 2.712 178.687 176.000 -0.042 0.000 0.971 369 Q CA 0.795 56.577 55.803 -0.036 0.000 0.833 369 Q CB -0.065 28.648 28.738 -0.042 0.000 0.896 369 Q HN 0.303 nan 8.270 nan 0.000 0.434 370 I N 0.985 121.507 120.570 -0.082 0.000 2.145 370 I HA -0.363 3.816 4.170 0.015 0.000 0.244 370 I C 2.598 178.673 176.117 -0.070 0.000 1.075 370 I CA 1.432 62.658 61.300 -0.123 0.000 1.332 370 I CB -0.284 37.536 38.000 -0.301 0.000 1.033 370 I HN 0.246 nan 8.210 nan 0.000 0.410 371 Q N 0.856 120.613 119.800 -0.073 0.000 2.135 371 Q HA -0.254 4.095 4.340 0.015 0.000 0.204 371 Q C 2.113 178.116 176.000 0.005 0.000 0.981 371 Q CA 1.787 57.562 55.803 -0.046 0.000 0.856 371 Q CB -0.145 28.560 28.738 -0.054 0.000 0.902 371 Q HN 0.534 nan 8.270 nan 0.000 0.425 372 Q N -1.177 118.647 119.800 0.041 0.000 2.123 372 Q HA -0.078 4.270 4.340 0.015 0.000 0.199 372 Q C 2.106 178.240 176.000 0.224 0.000 0.966 372 Q CA 1.359 57.249 55.803 0.146 0.000 0.845 372 Q CB 0.058 28.872 28.738 0.127 0.000 0.907 372 Q HN 0.251 nan 8.270 nan 0.000 0.439 373 V N 0.580 120.563 119.914 0.114 0.000 2.332 373 V HA -0.260 3.868 4.120 0.015 0.000 0.248 373 V C 2.262 178.461 176.094 0.175 0.000 1.055 373 V CA 1.582 63.958 62.300 0.126 0.000 1.038 373 V CB -0.503 31.379 31.823 0.099 0.000 0.651 373 V HN 0.189 nan 8.190 nan 0.000 0.450 374 V N 0.485 120.482 119.914 0.138 0.000 2.295 374 V HA -0.227 3.902 4.120 0.015 0.000 0.246 374 V C 2.228 178.322 176.094 0.001 0.000 1.049 374 V CA 2.169 64.513 62.300 0.072 0.000 1.024 374 V CB -0.860 30.913 31.823 -0.083 0.000 0.648 374 V HN 0.562 nan 8.190 nan 0.000 0.447 375 N N -0.362 118.327 118.700 -0.019 0.000 2.381 375 N HA -0.113 4.636 4.740 0.015 0.000 0.182 375 N C 1.417 176.814 175.510 -0.188 0.000 1.025 375 N CA 0.977 53.952 53.050 -0.125 0.000 0.888 375 N CB -0.366 38.018 38.487 -0.171 0.000 0.965 375 N HN 0.636 nan 8.380 nan 0.000 0.438 376 H N -0.947 118.143 119.070 0.033 0.000 2.524 376 H HA 0.312 4.877 4.556 0.015 0.000 0.280 376 H C 1.044 176.429 175.328 0.095 0.000 1.018 376 H CA 0.310 56.389 56.048 0.051 0.000 1.165 376 H CB -0.080 29.707 29.762 0.041 0.000 1.411 376 H HN 0.163 nan 8.280 nan 0.000 0.569 377 G N 0.901 109.816 108.800 0.192 0.000 2.249 377 G HA2 -0.309 3.660 3.960 0.015 0.000 0.273 377 G HA3 -0.309 3.660 3.960 0.015 0.000 0.273 377 G C 0.887 176.011 174.900 0.372 0.000 1.036 377 G CA 0.559 45.821 45.100 0.270 0.000 0.824 377 G HN 0.478 nan 8.290 nan 0.000 0.504 378 L N -0.684 120.713 121.223 0.291 0.000 2.418 378 L HA 0.020 4.368 4.340 0.015 0.000 0.218 378 L C 2.791 179.839 176.870 0.298 0.000 1.125 378 L CA 0.639 55.637 54.840 0.264 0.000 0.835 378 L CB -0.221 41.902 42.059 0.107 0.000 0.953 378 L HN 0.277 nan 8.230 nan 0.000 0.454 379 V N 0.474 120.555 119.914 0.279 0.000 2.295 379 V HA -0.148 3.981 4.120 0.015 0.000 0.246 379 V C -0.182 175.961 176.094 0.081 0.000 1.049 379 V CA 1.808 64.203 62.300 0.159 0.000 1.024 379 V CB -1.618 30.322 31.823 0.195 0.000 0.648 379 V HN 0.337 nan 8.190 nan 0.000 0.447 380 P HA -0.141 nan 4.420 nan 0.000 0.218 380 P C 1.530 178.776 177.300 -0.090 0.000 1.148 380 P CA 1.557 64.615 63.100 -0.071 0.000 0.822 380 P CB -0.139 31.484 31.700 -0.130 0.000 0.784 381 F N -1.269 118.690 119.950 0.016 0.000 2.206 381 F HA -0.064 4.472 4.527 0.015 0.000 0.298 381 F C 2.220 178.021 175.800 0.003 0.000 1.090 381 F CA 0.925 58.938 58.000 0.020 0.000 1.323 381 F CB -1.007 38.022 39.000 0.048 0.000 1.028 381 F HN -0.204 nan 8.300 nan 0.000 0.492 382 L N -0.841 120.480 121.223 0.163 0.000 2.093 382 L HA -0.169 4.180 4.340 0.015 0.000 0.208 382 L C 2.281 179.157 176.870 0.010 0.000 1.085 382 L CA 0.539 55.419 54.840 0.065 0.000 0.755 382 L CB -0.728 41.342 42.059 0.017 0.000 0.904 382 L HN -0.018 nan 8.230 nan 0.000 0.435 383 V N -1.106 118.791 119.914 -0.029 0.000 2.358 383 V HA -0.241 3.888 4.120 0.015 0.000 0.246 383 V C 2.573 178.641 176.094 -0.044 0.000 1.047 383 V CA 1.858 64.119 62.300 -0.064 0.000 1.035 383 V CB -0.271 31.485 31.823 -0.113 0.000 0.658 383 V HN 0.351 nan 8.190 nan 0.000 0.452 384 S N -0.061 115.615 115.700 -0.041 0.000 2.356 384 S HA -0.176 4.303 4.470 0.015 0.000 0.223 384 S C 2.037 176.645 174.600 0.012 0.000 1.032 384 S CA 1.586 59.769 58.200 -0.030 0.000 1.005 384 S CB -0.242 62.929 63.200 -0.049 0.000 0.867 384 S HN 0.377 nan 8.310 nan 0.000 0.449 385 V N 1.722 121.663 119.914 0.044 0.000 2.343 385 V HA -0.135 3.994 4.120 0.015 0.000 0.247 385 V C 2.237 178.354 176.094 0.039 0.000 1.051 385 V CA 1.435 63.769 62.300 0.057 0.000 1.036 385 V CB -0.611 31.260 31.823 0.081 0.000 0.654 385 V HN 0.350 nan 8.190 nan 0.000 0.451 386 L N -0.050 121.186 121.223 0.021 0.000 2.079 386 L HA -0.140 4.209 4.340 0.015 0.000 0.210 386 L C 2.428 179.309 176.870 0.017 0.000 1.081 386 L CA 2.154 57.001 54.840 0.012 0.000 0.752 386 L CB -0.535 41.516 42.059 -0.014 0.000 0.896 386 L HN 0.293 nan 8.230 nan 0.000 0.433 387 S N -0.961 114.743 115.700 0.006 0.000 2.388 387 S HA -0.034 4.445 4.470 0.015 0.000 0.223 387 S C 1.690 176.302 174.600 0.021 0.000 1.034 387 S CA 1.214 59.417 58.200 0.005 0.000 0.963 387 S CB 0.040 63.230 63.200 -0.017 0.000 0.827 387 S HN 0.471 nan 8.310 nan 0.000 0.481 388 K N 0.316 120.732 120.400 0.026 0.000 2.425 388 K HA 0.416 4.745 4.320 0.015 0.000 0.201 388 K C 0.447 177.076 176.600 0.047 0.000 1.128 388 K CA 0.043 56.349 56.287 0.030 0.000 1.000 388 K CB 0.616 33.127 32.500 0.019 0.000 0.961 388 K HN 0.215 nan 8.250 nan 0.000 0.555 389 A N 2.631 125.485 122.820 0.057 0.000 2.296 389 A HA 0.102 4.431 4.320 0.015 0.000 0.264 389 A C -0.004 177.632 177.584 0.086 0.000 1.097 389 A CA -0.488 51.589 52.037 0.068 0.000 0.811 389 A CB 0.114 19.155 19.000 0.068 0.000 1.072 389 A HN 0.328 nan 8.150 nan 0.000 0.495 390 D N -0.616 119.838 120.400 0.091 0.000 2.363 390 D HA -0.029 4.620 4.640 0.015 0.000 0.240 390 D C 0.708 177.107 176.300 0.165 0.000 1.236 390 D CA -0.311 53.764 54.000 0.125 0.000 0.927 390 D CB 0.369 41.233 40.800 0.107 0.000 1.150 390 D HN 0.337 nan 8.370 nan 0.000 0.458 391 F N 1.072 121.046 119.950 0.039 0.000 2.126 391 F HA -0.121 4.415 4.527 0.014 0.000 0.299 391 F C 2.294 178.128 175.800 0.057 0.000 1.096 391 F CA 1.438 59.464 58.000 0.043 0.000 1.255 391 F CB -0.305 38.718 39.000 0.038 0.000 0.997 391 F HN 0.271 nan 8.300 nan 0.000 0.479 392 K N -0.323 120.076 120.400 -0.002 0.000 2.103 392 K HA -0.138 4.191 4.320 0.015 0.000 0.207 392 K C 2.008 178.563 176.600 -0.074 0.000 1.048 392 K CA 2.072 58.310 56.287 -0.082 0.000 0.930 392 K CB -0.784 31.724 32.500 0.015 0.000 0.716 392 K HN 0.273 nan 8.250 nan 0.000 0.444 393 T N 0.420 114.966 114.554 -0.013 0.000 2.896 393 T HA -0.074 4.285 4.350 0.015 0.000 0.263 393 T C 1.621 176.323 174.700 0.002 0.000 1.050 393 T CA 0.895 63.008 62.100 0.021 0.000 1.140 393 T CB -0.073 68.828 68.868 0.054 0.000 0.877 393 T HN 0.284 nan 8.240 nan 0.000 0.457 394 Q N 0.944 120.723 119.800 -0.035 0.000 2.124 394 Q HA -0.075 4.273 4.340 0.015 0.000 0.202 394 Q C 2.317 178.258 176.000 -0.099 0.000 0.977 394 Q CA 1.158 56.938 55.803 -0.039 0.000 0.850 394 Q CB -0.169 28.577 28.738 0.014 0.000 0.901 394 Q HN 0.465 nan 8.270 nan 0.000 0.429 395 K N 0.492 120.742 120.400 -0.249 0.000 2.063 395 K HA -0.178 4.151 4.320 0.015 0.000 0.208 395 K C 1.997 178.671 176.600 0.124 0.000 1.048 395 K CA 1.285 57.479 56.287 -0.155 0.000 0.928 395 K CB 0.048 32.397 32.500 -0.251 0.000 0.713 395 K HN 0.145 nan 8.250 nan 0.000 0.442 396 E N 0.401 120.675 120.200 0.123 0.000 2.110 396 E HA -0.163 4.196 4.350 0.015 0.000 0.193 396 E C 2.055 178.778 176.600 0.204 0.000 0.988 396 E CA 1.260 57.797 56.400 0.227 0.000 0.804 396 E CB -0.258 29.557 29.700 0.192 0.000 0.745 396 E HN 0.347 nan 8.360 nan 0.000 0.458 397 A N 1.134 124.018 122.820 0.108 0.000 1.969 397 A HA -0.099 4.229 4.320 0.015 0.000 0.218 397 A C 2.616 180.229 177.584 0.048 0.000 1.169 397 A CA 1.105 53.184 52.037 0.069 0.000 0.635 397 A CB -0.576 18.446 19.000 0.037 0.000 0.810 397 A HN 0.125 nan 8.150 nan 0.000 0.445 398 V N -2.045 117.882 119.914 0.021 0.000 2.295 398 V HA -0.296 3.833 4.120 0.015 0.000 0.246 398 V C 2.242 178.292 176.094 -0.073 0.000 1.049 398 V CA 1.940 64.201 62.300 -0.065 0.000 1.024 398 V CB -0.941 30.796 31.823 -0.144 0.000 0.648 398 V HN 0.809 nan 8.190 nan 0.000 0.447 399 W N -0.116 121.189 121.300 0.008 0.000 2.363 399 W HA -0.113 4.556 4.660 0.015 0.000 0.296 399 W C 2.586 179.120 176.519 0.024 0.000 1.212 399 W CA 1.513 58.873 57.345 0.025 0.000 1.260 399 W CB -0.497 28.991 29.460 0.046 0.000 1.131 399 W HN 0.194 nan 8.180 nan 0.000 0.530 400 A N -0.358 122.603 122.820 0.235 0.000 1.902 400 A HA -0.159 4.170 4.320 0.015 0.000 0.217 400 A C 1.996 179.651 177.584 0.118 0.000 1.181 400 A CA 2.006 54.128 52.037 0.142 0.000 0.623 400 A CB -1.095 17.949 19.000 0.073 0.000 0.818 400 A HN 0.092 nan 8.150 nan 0.000 0.443 401 V N -0.228 119.717 119.914 0.050 0.000 2.358 401 V HA -0.197 3.932 4.120 0.015 0.000 0.246 401 V C 2.756 178.880 176.094 0.050 0.000 1.047 401 V CA 2.441 64.733 62.300 -0.014 0.000 1.035 401 V CB -1.042 30.738 31.823 -0.072 0.000 0.658 401 V HN 0.632 nan 8.190 nan 0.000 0.452 402 T N 0.091 114.663 114.554 0.030 0.000 2.777 402 T HA -0.139 4.220 4.350 0.015 0.000 0.266 402 T C 1.819 176.581 174.700 0.102 0.000 1.040 402 T CA 1.384 63.498 62.100 0.023 0.000 1.141 402 T CB -0.363 68.443 68.868 -0.102 0.000 0.868 402 T HN 0.399 nan 8.240 nan 0.000 0.444 403 N N 0.786 119.583 118.700 0.160 0.000 2.104 403 N HA -0.107 4.642 4.740 0.015 0.000 0.190 403 N C 1.549 177.154 175.510 0.157 0.000 1.024 403 N CA 1.099 54.247 53.050 0.163 0.000 0.853 403 N CB -0.632 37.958 38.487 0.172 0.000 1.008 403 N HN 0.450 nan 8.380 nan 0.000 0.424 404 Y N 2.018 122.340 120.300 0.036 0.000 2.128 404 Y HA -0.219 4.340 4.550 0.015 0.000 0.284 404 Y C 2.567 178.481 175.900 0.024 0.000 1.154 404 Y CA 2.204 60.320 58.100 0.027 0.000 1.149 404 Y CB -0.967 37.510 38.460 0.029 0.000 0.976 404 Y HN 0.211 nan 8.280 nan 0.000 0.505 405 T N -3.110 111.656 114.554 0.353 0.000 3.007 405 T HA -0.128 4.231 4.350 0.015 0.000 0.270 405 T C 2.146 176.911 174.700 0.109 0.000 1.107 405 T CA 1.226 63.460 62.100 0.224 0.000 1.118 405 T CB -0.721 68.225 68.868 0.130 0.000 0.889 405 T HN 0.333 nan 8.240 nan 0.000 0.506 406 S N 0.768 116.523 115.700 0.092 0.000 2.377 406 S HA 0.204 4.682 4.470 0.015 0.000 0.223 406 S C 2.178 176.795 174.600 0.029 0.000 1.030 406 S CA 1.008 59.244 58.200 0.060 0.000 0.970 406 S CB -0.816 62.426 63.200 0.070 0.000 0.830 406 S HN 0.708 nan 8.310 nan 0.000 0.473 407 G N -0.029 108.773 108.800 0.003 0.000 2.921 407 G HA2 0.407 4.376 3.960 0.015 0.000 0.213 407 G HA3 0.407 4.376 3.960 0.015 0.000 0.213 407 G C 0.590 175.442 174.900 -0.079 0.000 1.143 407 G CA 0.270 45.351 45.100 -0.033 0.000 0.764 407 G HN 0.636 nan 8.290 nan 0.000 0.542 408 G N 0.693 109.422 108.800 -0.120 0.000 2.527 408 G HA2 0.411 4.379 3.960 0.015 0.000 0.248 408 G HA3 0.411 4.379 3.960 0.015 0.000 0.248 408 G C 0.586 175.432 174.900 -0.090 0.000 1.231 408 G CA 0.466 45.446 45.100 -0.201 0.000 0.838 408 G HN 0.352 nan 8.290 nan 0.000 0.570 409 T N -1.374 113.128 114.554 -0.087 0.000 2.788 409 T HA 0.170 4.529 4.350 0.015 0.000 0.287 409 T C 1.673 176.370 174.700 -0.005 0.000 1.007 409 T CA -0.238 61.840 62.100 -0.037 0.000 1.005 409 T CB 1.180 70.027 68.868 -0.036 0.000 1.012 409 T HN 0.197 nan 8.240 nan 0.000 0.530 410 V N 2.066 121.983 119.914 0.005 0.000 2.252 410 V HA -0.199 3.930 4.120 0.015 0.000 0.249 410 V C 2.957 179.073 176.094 0.036 0.000 1.056 410 V CA 2.278 64.589 62.300 0.019 0.000 1.022 410 V CB -1.006 30.824 31.823 0.010 0.000 0.641 410 V HN 0.976 nan 8.190 nan 0.000 0.445 411 E N 0.431 120.648 120.200 0.027 0.000 2.153 411 E HA -0.286 4.073 4.350 0.015 0.000 0.194 411 E C 2.028 178.687 176.600 0.097 0.000 0.988 411 E CA 1.413 57.840 56.400 0.045 0.000 0.811 411 E CB -0.603 29.106 29.700 0.015 0.000 0.746 411 E HN 0.716 nan 8.360 nan 0.000 0.466 412 Q N -0.054 119.793 119.800 0.079 0.000 2.124 412 Q HA -0.080 4.269 4.340 0.015 0.000 0.202 412 Q C 2.142 178.352 176.000 0.350 0.000 0.977 412 Q CA 1.006 56.906 55.803 0.162 0.000 0.850 412 Q CB -0.034 28.671 28.738 -0.054 0.000 0.901 412 Q HN 0.234 nan 8.270 nan 0.000 0.429 413 I N -0.119 120.591 120.570 0.234 0.000 2.315 413 I HA -0.185 3.994 4.170 0.015 0.000 0.248 413 I C 2.235 178.438 176.117 0.143 0.000 1.117 413 I CA 0.888 62.323 61.300 0.225 0.000 1.404 413 I CB -1.197 36.870 38.000 0.111 0.000 1.071 413 I HN 0.036 nan 8.210 nan 0.000 0.419 414 V N 0.531 120.518 119.914 0.121 0.000 2.255 414 V HA -0.341 3.788 4.120 0.015 0.000 0.247 414 V C 2.467 178.646 176.094 0.140 0.000 1.051 414 V CA 2.107 64.461 62.300 0.090 0.000 1.018 414 V CB -0.967 30.897 31.823 0.068 0.000 0.641 414 V HN 0.378 nan 8.190 nan 0.000 0.445 415 Y N 0.511 120.860 120.300 0.081 0.000 2.128 415 Y HA -0.284 4.275 4.550 0.015 0.000 0.284 415 Y C 2.260 178.226 175.900 0.110 0.000 1.154 415 Y CA 2.040 60.207 58.100 0.112 0.000 1.149 415 Y CB -0.418 38.111 38.460 0.115 0.000 0.976 415 Y HN 0.211 nan 8.280 nan 0.000 0.505 416 L N -0.342 120.895 121.223 0.024 0.000 2.043 416 L HA -0.207 4.142 4.340 0.015 0.000 0.212 416 L C 2.261 179.008 176.870 -0.205 0.000 1.075 416 L CA 1.950 56.664 54.840 -0.210 0.000 0.752 416 L CB -0.959 40.950 42.059 -0.251 0.000 0.891 416 L HN 0.191 nan 8.230 nan 0.000 0.432 417 V N -0.661 119.193 119.914 -0.101 0.000 2.343 417 V HA -0.335 3.794 4.120 0.015 0.000 0.247 417 V C 2.529 178.558 176.094 -0.107 0.000 1.051 417 V CA 1.977 64.215 62.300 -0.103 0.000 1.036 417 V CB -1.080 30.699 31.823 -0.074 0.000 0.654 417 V HN 0.759 nan 8.190 nan 0.000 0.451 418 H N -0.686 118.280 119.070 -0.173 0.000 2.456 418 H HA -0.166 4.399 4.556 0.015 0.000 0.296 418 H C 1.948 177.136 175.328 -0.234 0.000 1.079 418 H CA 1.971 57.917 56.048 -0.170 0.000 1.322 418 H CB -0.395 29.292 29.762 -0.125 0.000 1.388 418 H HN 0.443 nan 8.280 nan 0.000 0.538 419 C N 0.515 119.538 119.300 -0.461 0.000 2.539 419 C HA 0.318 4.786 4.460 0.015 0.000 0.271 419 C C 1.702 176.494 174.990 -0.330 0.000 1.412 419 C CA 0.814 59.545 59.018 -0.479 0.000 1.729 419 C CB -1.126 26.328 27.740 -0.477 0.000 1.739 419 C HN 0.949 nan 8.230 nan 0.000 0.570 420 G N 0.662 109.299 108.800 -0.272 0.000 2.165 420 G HA2 -0.235 3.734 3.960 0.015 0.000 0.226 420 G HA3 -0.235 3.734 3.960 0.015 0.000 0.226 420 G C 0.474 175.280 174.900 -0.157 0.000 1.035 420 G CA 0.258 45.242 45.100 -0.194 0.000 0.744 420 G HN 0.357 nan 8.290 nan 0.000 0.501 421 I N 0.546 121.018 120.570 -0.164 0.000 2.252 421 I HA -0.046 4.132 4.170 0.015 0.000 0.245 421 I C 2.561 178.615 176.117 -0.105 0.000 1.102 421 I CA 1.117 62.333 61.300 -0.140 0.000 1.385 421 I CB -0.174 37.728 38.000 -0.164 0.000 1.064 421 I HN 0.363 nan 8.210 nan 0.000 0.414 422 I N 0.474 120.984 120.570 -0.101 0.000 2.091 422 I HA -0.346 3.833 4.170 0.015 0.000 0.239 422 I C 2.483 178.566 176.117 -0.056 0.000 1.061 422 I CA 1.922 63.176 61.300 -0.077 0.000 1.317 422 I CB -1.616 36.338 38.000 -0.077 0.000 1.031 422 I HN 0.423 nan 8.210 nan 0.000 0.401 423 E N 1.560 121.726 120.200 -0.057 0.000 2.023 423 E HA -0.193 4.166 4.350 0.015 0.000 0.196 423 E C -0.635 175.944 176.600 -0.035 0.000 1.003 423 E CA 1.953 58.327 56.400 -0.043 0.000 0.809 423 E CB -0.796 28.877 29.700 -0.045 0.000 0.755 423 E HN 0.275 nan 8.360 nan 0.000 0.449 424 P HA -0.152 nan 4.420 nan 0.000 0.220 424 P C 1.571 178.859 177.300 -0.019 0.000 1.148 424 P CA 0.805 63.889 63.100 -0.027 0.000 0.803 424 P CB -0.005 31.674 31.700 -0.035 0.000 0.782 425 L N -0.597 120.606 121.223 -0.034 0.000 2.005 425 L HA -0.072 4.277 4.340 0.015 0.000 0.207 425 L C 2.527 179.388 176.870 -0.016 0.000 1.072 425 L CA 1.960 56.781 54.840 -0.030 0.000 0.744 425 L CB -1.319 40.712 42.059 -0.047 0.000 0.895 425 L HN -0.162 nan 8.230 nan 0.000 0.433 426 M N -0.857 118.732 119.600 -0.017 0.000 2.213 426 M HA -0.163 4.325 4.480 0.015 0.000 0.263 426 M C 1.829 178.127 176.300 -0.004 0.000 1.062 426 M CA 1.078 56.372 55.300 -0.011 0.000 1.105 426 M CB -1.499 31.093 32.600 -0.014 0.000 1.385 426 M HN 0.308 nan 8.290 nan 0.000 0.417 427 N N 0.971 119.670 118.700 -0.002 0.000 2.289 427 N HA -0.058 4.691 4.740 0.015 0.000 0.184 427 N C 1.651 177.175 175.510 0.023 0.000 1.016 427 N CA 0.982 54.035 53.050 0.006 0.000 0.872 427 N CB -0.277 38.213 38.487 0.005 0.000 0.973 427 N HN 0.409 nan 8.380 nan 0.000 0.433 428 L N 0.293 121.539 121.223 0.038 0.000 2.591 428 L HA 0.143 4.491 4.340 0.015 0.000 0.228 428 L C 1.625 178.532 176.870 0.062 0.000 1.133 428 L CA -0.029 54.858 54.840 0.078 0.000 0.880 428 L CB -0.067 42.060 42.059 0.114 0.000 1.033 428 L HN 0.070 nan 8.230 nan 0.000 0.450 429 L N -0.030 121.209 121.223 0.026 0.000 2.549 429 L HA -0.136 4.213 4.340 0.015 0.000 0.230 429 L C 2.258 179.142 176.870 0.023 0.000 1.162 429 L CA 1.323 56.171 54.840 0.014 0.000 0.834 429 L CB -0.722 41.335 42.059 -0.003 0.000 0.947 429 L HN 0.455 nan 8.230 nan 0.000 0.452 430 T N -3.336 111.231 114.554 0.022 0.000 3.129 430 T HA 0.286 4.645 4.350 0.015 0.000 0.251 430 T C 0.991 175.695 174.700 0.007 0.000 1.117 430 T CA 0.162 62.272 62.100 0.017 0.000 1.034 430 T CB -0.097 68.769 68.868 -0.004 0.000 0.968 430 T HN 0.211 nan 8.240 nan 0.000 0.526 431 A N 2.021 124.854 122.820 0.022 0.000 2.586 431 A HA 0.182 4.511 4.320 0.015 0.000 0.231 431 A C 1.320 178.917 177.584 0.021 0.000 1.055 431 A CA -0.137 51.895 52.037 -0.007 0.000 0.756 431 A CB 0.268 19.393 19.000 0.209 0.000 0.988 431 A HN 0.296 nan 8.150 nan 0.000 0.509 432 K N 0.642 121.016 120.400 -0.043 0.000 2.487 432 K HA -0.002 4.327 4.320 0.015 0.000 0.192 432 K C -0.288 176.379 176.600 0.112 0.000 1.027 432 K CA 0.236 56.540 56.287 0.029 0.000 1.054 432 K CB 0.161 32.644 32.500 -0.029 0.000 0.824 432 K HN 0.686 nan 8.250 nan 0.000 0.510 433 D N 1.624 122.129 120.400 0.176 0.000 2.467 433 D HA 0.003 4.652 4.640 0.015 0.000 0.220 433 D C 1.142 177.533 176.300 0.151 0.000 1.103 433 D CA 0.006 54.132 54.000 0.209 0.000 0.886 433 D CB 1.272 42.278 40.800 0.343 0.000 1.025 433 D HN 0.105 nan 8.370 nan 0.000 0.514 434 T N 1.798 116.430 114.554 0.131 0.000 2.881 434 T HA -0.220 4.139 4.350 0.015 0.000 0.270 434 T C 1.692 176.417 174.700 0.043 0.000 1.068 434 T CA 1.051 63.194 62.100 0.071 0.000 1.131 434 T CB 0.113 69.054 68.868 0.122 0.000 0.871 434 T HN 0.142 nan 8.240 nan 0.000 0.479 435 K N 1.217 121.666 120.400 0.083 0.000 2.026 435 K HA 0.037 4.366 4.320 0.015 0.000 0.208 435 K C 2.090 178.706 176.600 0.026 0.000 1.048 435 K CA 1.178 57.514 56.287 0.082 0.000 0.929 435 K CB -0.877 31.711 32.500 0.146 0.000 0.713 435 K HN 0.371 nan 8.250 nan 0.000 0.439 436 I N 0.976 121.572 120.570 0.043 0.000 2.286 436 I HA -0.198 3.981 4.170 0.015 0.000 0.248 436 I C 2.209 178.286 176.117 -0.066 0.000 1.115 436 I CA 1.110 62.392 61.300 -0.029 0.000 1.392 436 I CB -0.655 37.379 38.000 0.057 0.000 1.065 436 I HN 0.187 nan 8.210 nan 0.000 0.418 437 I N 0.277 120.830 120.570 -0.027 0.000 2.226 437 I HA -0.315 3.864 4.170 0.015 0.000 0.245 437 I C 2.437 178.500 176.117 -0.090 0.000 1.100 437 I CA 1.247 62.510 61.300 -0.062 0.000 1.374 437 I CB -0.230 37.705 38.000 -0.108 0.000 1.057 437 I HN 0.151 nan 8.210 nan 0.000 0.413 438 L N -0.270 120.901 121.223 -0.086 0.000 2.191 438 L HA -0.170 4.179 4.340 0.015 0.000 0.212 438 L C 2.431 179.225 176.870 -0.126 0.000 1.103 438 L CA 0.751 55.542 54.840 -0.082 0.000 0.769 438 L CB -0.507 41.525 42.059 -0.045 0.000 0.908 438 L HN 0.102 nan 8.230 nan 0.000 0.438 439 V N -0.153 119.632 119.914 -0.215 0.000 2.379 439 V HA -0.227 3.902 4.120 0.015 0.000 0.245 439 V C 2.266 178.212 176.094 -0.246 0.000 1.044 439 V CA 1.515 63.598 62.300 -0.361 0.000 1.036 439 V CB -0.231 31.141 31.823 -0.751 0.000 0.664 439 V HN 0.294 nan 8.190 nan 0.000 0.453 440 I N -0.196 120.265 120.570 -0.182 0.000 2.226 440 I HA -0.239 3.939 4.170 0.015 0.000 0.245 440 I C 2.313 178.395 176.117 -0.059 0.000 1.100 440 I CA 1.573 62.807 61.300 -0.111 0.000 1.374 440 I CB -0.303 37.653 38.000 -0.074 0.000 1.057 440 I HN 0.246 nan 8.210 nan 0.000 0.413 441 L N 0.072 121.265 121.223 -0.050 0.000 2.131 441 L HA -0.231 4.118 4.340 0.015 0.000 0.210 441 L C 2.173 179.052 176.870 0.014 0.000 1.092 441 L CA 1.169 56.007 54.840 -0.004 0.000 0.759 441 L CB -0.650 41.400 42.059 -0.015 0.000 0.903 441 L HN 0.258 nan 8.230 nan 0.000 0.435 442 D N 0.212 120.596 120.400 -0.026 0.000 2.097 442 D HA -0.173 4.476 4.640 0.015 0.000 0.195 442 D C 2.190 178.493 176.300 0.005 0.000 0.989 442 D CA 1.442 55.434 54.000 -0.012 0.000 0.827 442 D CB 0.131 40.898 40.800 -0.055 0.000 0.966 442 D HN 0.245 nan 8.370 nan 0.000 0.456 443 A N 0.575 123.379 122.820 -0.026 0.000 1.883 443 A HA -0.169 4.160 4.320 0.015 0.000 0.217 443 A C 2.205 179.803 177.584 0.023 0.000 1.186 443 A CA 1.262 53.293 52.037 -0.010 0.000 0.624 443 A CB -0.659 18.315 19.000 -0.044 0.000 0.822 443 A HN 0.269 nan 8.150 nan 0.000 0.444 444 I N -0.068 120.530 120.570 0.047 0.000 2.179 444 I HA -0.180 3.998 4.170 0.015 0.000 0.242 444 I C 2.767 179.010 176.117 0.210 0.000 1.088 444 I CA 1.930 63.297 61.300 0.112 0.000 1.357 444 I CB -1.560 36.550 38.000 0.183 0.000 1.051 444 I HN 0.420 nan 8.210 nan 0.000 0.409 445 S N 1.238 117.054 115.700 0.193 0.000 2.370 445 S HA -0.199 4.280 4.470 0.015 0.000 0.226 445 S C 1.850 176.547 174.600 0.162 0.000 1.033 445 S CA 1.696 60.025 58.200 0.216 0.000 1.011 445 S CB -0.235 63.054 63.200 0.148 0.000 0.852 445 S HN 0.428 nan 8.310 nan 0.000 0.457 446 N N 1.598 120.356 118.700 0.098 0.000 2.069 446 N HA -0.047 4.702 4.740 0.015 0.000 0.191 446 N C 1.756 177.294 175.510 0.047 0.000 1.031 446 N CA 1.736 54.828 53.050 0.070 0.000 0.852 446 N CB -0.644 37.878 38.487 0.058 0.000 1.018 446 N HN 0.507 nan 8.380 nan 0.000 0.423 447 I N -0.304 120.271 120.570 0.008 0.000 2.394 447 I HA -0.202 3.977 4.170 0.015 0.000 0.251 447 I C 1.644 177.667 176.117 -0.158 0.000 1.136 447 I CA 0.735 61.987 61.300 -0.080 0.000 1.425 447 I CB -0.249 37.660 38.000 -0.152 0.000 1.079 447 I HN -0.057 nan 8.210 nan 0.000 0.425 448 F N 1.254 121.096 119.950 -0.179 0.000 2.216 448 F HA -0.206 4.329 4.527 0.015 0.000 0.300 448 F C 2.642 178.317 175.800 -0.207 0.000 1.085 448 F CA 1.447 59.231 58.000 -0.360 0.000 1.326 448 F CB -0.472 38.048 39.000 -0.801 0.000 1.027 448 F HN 0.073 nan 8.300 nan 0.000 0.497 449 Q N -0.499 119.360 119.800 0.099 0.000 2.124 449 Q HA -0.169 4.180 4.340 0.015 0.000 0.202 449 Q C 2.505 178.530 176.000 0.043 0.000 0.977 449 Q CA 1.427 57.282 55.803 0.087 0.000 0.850 449 Q CB -0.407 28.382 28.738 0.085 0.000 0.901 449 Q HN 0.432 nan 8.270 nan 0.000 0.429 450 A N 1.049 123.878 122.820 0.014 0.000 1.877 450 A HA -0.123 4.206 4.320 0.015 0.000 0.216 450 A C 2.313 179.887 177.584 -0.017 0.000 1.186 450 A CA 1.534 53.571 52.037 -0.000 0.000 0.620 450 A CB -0.900 18.097 19.000 -0.004 0.000 0.822 450 A HN 0.401 nan 8.150 nan 0.000 0.443 451 A N -0.046 122.738 122.820 -0.059 0.000 1.940 451 A HA -0.220 4.109 4.320 0.015 0.000 0.219 451 A C 1.893 179.473 177.584 -0.007 0.000 1.176 451 A CA 1.804 53.799 52.037 -0.071 0.000 0.631 451 A CB -0.564 18.330 19.000 -0.177 0.000 0.814 451 A HN 0.682 nan 8.150 nan 0.000 0.446 452 E N 0.028 120.248 120.200 0.033 0.000 2.051 452 E HA -0.180 4.179 4.350 0.015 0.000 0.192 452 E C 1.900 178.522 176.600 0.037 0.000 0.991 452 E CA 1.270 57.706 56.400 0.061 0.000 0.799 452 E CB -0.206 29.554 29.700 0.100 0.000 0.748 452 E HN 0.556 nan 8.360 nan 0.000 0.449 453 K N 0.527 120.944 120.400 0.029 0.000 2.211 453 K HA -0.127 4.201 4.320 0.015 0.000 0.204 453 K C 1.926 178.533 176.600 0.012 0.000 1.047 453 K CA 0.886 57.185 56.287 0.020 0.000 0.935 453 K CB -0.066 32.444 32.500 0.017 0.000 0.728 453 K HN 0.219 nan 8.250 nan 0.000 0.452 454 L N -0.115 121.112 121.223 0.006 0.000 2.607 454 L HA 0.138 4.487 4.340 0.015 0.000 0.228 454 L C 0.892 177.764 176.870 0.002 0.000 1.123 454 L CA 0.048 54.889 54.840 0.001 0.000 0.890 454 L CB 0.047 42.101 42.059 -0.007 0.000 1.103 454 L HN 0.309 nan 8.230 nan 0.000 0.468 455 G N 1.187 109.993 108.800 0.009 0.000 2.305 455 G HA2 -0.301 3.667 3.960 0.015 0.000 0.287 455 G HA3 -0.301 3.667 3.960 0.015 0.000 0.287 455 G C 0.393 175.296 174.900 0.006 0.000 1.036 455 G CA 0.502 45.609 45.100 0.013 0.000 0.887 455 G HN 0.570 nan 8.290 nan 0.000 0.505 456 E N -1.110 119.086 120.200 -0.006 0.000 2.624 456 E HA 0.155 4.514 4.350 0.015 0.000 0.210 456 E C 1.940 178.519 176.600 -0.036 0.000 0.997 456 E CA 0.299 56.686 56.400 -0.022 0.000 0.999 456 E CB 0.259 29.937 29.700 -0.036 0.000 1.040 456 E HN 0.290 nan 8.360 nan 0.000 0.469 457 T N 1.663 116.217 114.554 0.001 0.000 2.653 457 T HA -0.215 4.144 4.350 0.015 0.000 0.268 457 T C 1.585 176.320 174.700 0.057 0.000 1.035 457 T CA 1.494 63.625 62.100 0.052 0.000 1.154 457 T CB -0.024 68.915 68.868 0.118 0.000 0.862 457 T HN 0.268 nan 8.240 nan 0.000 0.441 458 E N 0.770 120.991 120.200 0.035 0.000 2.072 458 E HA -0.121 4.237 4.350 0.015 0.000 0.191 458 E C 2.196 178.807 176.600 0.019 0.000 0.985 458 E CA 1.001 57.420 56.400 0.031 0.000 0.801 458 E CB -0.271 29.445 29.700 0.026 0.000 0.750 458 E HN 0.499 nan 8.360 nan 0.000 0.452 459 K N 1.007 121.403 120.400 -0.007 0.000 2.057 459 K HA -0.133 4.196 4.320 0.015 0.000 0.206 459 K C 2.279 178.850 176.600 -0.047 0.000 1.050 459 K CA 0.632 56.907 56.287 -0.019 0.000 0.935 459 K CB -0.155 32.329 32.500 -0.026 0.000 0.715 459 K HN 0.004 nan 8.250 nan 0.000 0.439 460 L N 1.047 122.201 121.223 -0.116 0.000 2.012 460 L HA -0.169 4.180 4.340 0.015 0.000 0.210 460 L C 2.024 178.835 176.870 -0.098 0.000 1.073 460 L CA 1.866 56.569 54.840 -0.227 0.000 0.748 460 L CB -0.752 40.983 42.059 -0.540 0.000 0.891 460 L HN 0.154 nan 8.230 nan 0.000 0.431 461 S N -0.224 115.493 115.700 0.029 0.000 2.374 461 S HA -0.154 4.325 4.470 0.015 0.000 0.227 461 S C 1.873 176.634 174.600 0.267 0.000 1.037 461 S CA 1.687 60.023 58.200 0.227 0.000 1.024 461 S CB -0.404 62.842 63.200 0.077 0.000 0.861 461 S HN 0.460 nan 8.310 nan 0.000 0.456 462 I N 0.934 121.583 120.570 0.132 0.000 2.439 462 I HA -0.059 4.120 4.170 0.015 0.000 0.251 462 I C 2.187 178.348 176.117 0.074 0.000 1.139 462 I CA 1.058 62.420 61.300 0.105 0.000 1.438 462 I CB -1.425 36.611 38.000 0.060 0.000 1.085 462 I HN 0.325 nan 8.210 nan 0.000 0.427 463 M N 0.573 120.197 119.600 0.040 0.000 2.080 463 M HA -0.194 4.295 4.480 0.015 0.000 0.260 463 M C 2.427 178.745 176.300 0.030 0.000 1.068 463 M CA 2.046 57.351 55.300 0.009 0.000 1.109 463 M CB -0.248 32.330 32.600 -0.036 0.000 1.342 463 M HN 0.101 nan 8.290 nan 0.000 0.405 464 I N -0.501 120.116 120.570 0.078 0.000 2.252 464 I HA -0.269 3.910 4.170 0.015 0.000 0.245 464 I C 2.386 178.548 176.117 0.075 0.000 1.102 464 I CA 1.274 62.632 61.300 0.098 0.000 1.385 464 I CB -0.363 37.776 38.000 0.233 0.000 1.064 464 I HN 0.352 nan 8.210 nan 0.000 0.414 465 E N 0.923 121.198 120.200 0.125 0.000 2.077 465 E HA -0.241 4.118 4.350 0.015 0.000 0.193 465 E C 2.015 178.634 176.600 0.033 0.000 0.989 465 E CA 1.184 57.625 56.400 0.068 0.000 0.800 465 E CB 0.150 29.924 29.700 0.124 0.000 0.746 465 E HN 0.347 nan 8.360 nan 0.000 0.452 466 E N -0.208 120.013 120.200 0.036 0.000 2.208 466 E HA -0.120 4.239 4.350 0.015 0.000 0.193 466 E C 2.127 178.729 176.600 0.003 0.000 0.988 466 E CA 1.060 57.471 56.400 0.017 0.000 0.828 466 E CB -0.015 29.694 29.700 0.015 0.000 0.763 466 E HN 0.521 nan 8.360 nan 0.000 0.478 467 C N -1.140 118.159 119.300 -0.001 0.000 2.613 467 C HA 0.577 5.046 4.460 0.015 0.000 0.273 467 C C 1.612 176.594 174.990 -0.013 0.000 1.304 467 C CA 0.097 59.108 59.018 -0.010 0.000 1.702 467 C CB -0.701 27.029 27.740 -0.017 0.000 1.792 467 C HN 0.425 nan 8.230 nan 0.000 0.588 468 G N 0.194 108.986 108.800 -0.014 0.000 2.157 468 G HA2 -0.121 3.848 3.960 0.015 0.000 0.239 468 G HA3 -0.121 3.848 3.960 0.015 0.000 0.239 468 G C 1.060 175.939 174.900 -0.035 0.000 0.982 468 G CA 0.213 45.299 45.100 -0.023 0.000 0.650 468 G HN 0.974 nan 8.290 nan 0.000 0.527 469 G N 0.193 108.972 108.800 -0.034 0.000 2.408 469 G HA2 0.122 4.090 3.960 0.015 0.000 0.217 469 G HA3 0.122 4.090 3.960 0.015 0.000 0.217 469 G C 1.703 176.538 174.900 -0.107 0.000 1.150 469 G CA 1.634 46.707 45.100 -0.045 0.000 0.776 469 G HN 0.925 nan 8.290 nan 0.000 0.542 470 L N 1.122 122.249 121.223 -0.159 0.000 2.027 470 L HA 0.029 4.378 4.340 0.015 0.000 0.206 470 L C 2.097 178.848 176.870 -0.198 0.000 1.074 470 L CA 2.003 56.656 54.840 -0.313 0.000 0.745 470 L CB -0.636 41.221 42.059 -0.336 0.000 0.898 470 L HN 0.076 nan 8.230 nan 0.000 0.433 471 D N -0.023 120.310 120.400 -0.112 0.000 2.133 471 D HA -0.231 4.418 4.640 0.015 0.000 0.195 471 D C 2.144 178.407 176.300 -0.062 0.000 0.997 471 D CA 1.547 55.504 54.000 -0.071 0.000 0.840 471 D CB -0.080 40.695 40.800 -0.042 0.000 0.947 471 D HN 0.410 nan 8.370 nan 0.000 0.452 472 K N -0.098 120.265 120.400 -0.061 0.000 2.062 472 K HA 0.001 4.330 4.320 0.015 0.000 0.205 472 K C 2.309 178.877 176.600 -0.052 0.000 1.051 472 K CA 0.496 56.758 56.287 -0.042 0.000 0.941 472 K CB -0.033 32.449 32.500 -0.030 0.000 0.719 472 K HN 0.132 nan 8.250 nan 0.000 0.440 473 I N 1.430 121.943 120.570 -0.094 0.000 2.286 473 I HA -0.254 3.925 4.170 0.015 0.000 0.248 473 I C 2.025 178.092 176.117 -0.082 0.000 1.115 473 I CA 1.378 62.620 61.300 -0.097 0.000 1.392 473 I CB -0.168 37.739 38.000 -0.155 0.000 1.065 473 I HN 0.173 nan 8.210 nan 0.000 0.418 474 E N 0.830 120.971 120.200 -0.098 0.000 2.110 474 E HA -0.209 4.150 4.350 0.015 0.000 0.193 474 E C 2.361 178.956 176.600 -0.009 0.000 0.988 474 E CA 1.199 57.565 56.400 -0.056 0.000 0.804 474 E CB -0.217 29.445 29.700 -0.063 0.000 0.745 474 E HN 0.537 nan 8.360 nan 0.000 0.458 475 A N 1.147 123.964 122.820 -0.005 0.000 1.972 475 A HA -0.138 4.191 4.320 0.015 0.000 0.219 475 A C 2.106 179.728 177.584 0.063 0.000 1.169 475 A CA 0.907 52.959 52.037 0.025 0.000 0.635 475 A CB -0.554 18.457 19.000 0.019 0.000 0.810 475 A HN 0.155 nan 8.150 nan 0.000 0.446 476 L N -0.309 120.947 121.223 0.055 0.000 2.456 476 L HA -0.179 4.170 4.340 0.015 0.000 0.224 476 L C 2.434 179.391 176.870 0.145 0.000 1.148 476 L CA 0.423 55.321 54.840 0.095 0.000 0.825 476 L CB -0.471 41.596 42.059 0.014 0.000 0.937 476 L HN 0.382 nan 8.230 nan 0.000 0.450 477 Q N -0.002 119.871 119.800 0.122 0.000 2.181 477 Q HA -0.200 4.149 4.340 0.015 0.000 0.205 477 Q C 1.248 177.409 176.000 0.269 0.000 0.980 477 Q CA 1.309 57.246 55.803 0.223 0.000 0.862 477 Q CB -0.372 28.456 28.738 0.151 0.000 0.905 477 Q HN 0.403 nan 8.270 nan 0.000 0.429 478 N N 0.313 119.109 118.700 0.159 0.000 2.279 478 N HA -0.034 4.715 4.740 0.015 0.000 0.226 478 N C -0.558 175.011 175.510 0.099 0.000 1.126 478 N CA 0.004 53.114 53.050 0.099 0.000 0.846 478 N CB 0.077 38.593 38.487 0.048 0.000 1.050 478 N HN 0.209 nan 8.380 nan 0.000 0.502 479 H N 0.732 119.845 119.070 0.072 0.000 2.707 479 H HA -0.007 4.557 4.556 0.015 0.000 0.359 479 H C 0.865 176.217 175.328 0.040 0.000 1.113 479 H CA 0.454 56.535 56.048 0.054 0.000 1.422 479 H CB 1.279 31.081 29.762 0.067 0.000 1.443 479 H HN 0.304 nan 8.280 nan 0.000 0.591 480 E N 2.541 122.565 120.200 -0.293 0.000 2.204 480 E HA -0.149 4.210 4.350 0.015 0.000 0.194 480 E C 0.488 177.135 176.600 0.078 0.000 0.989 480 E CA 0.571 56.909 56.400 -0.102 0.000 0.824 480 E CB 0.055 29.660 29.700 -0.159 0.000 0.756 480 E HN 0.387 nan 8.360 nan 0.000 0.477 481 N N 1.208 120.106 118.700 0.330 0.000 2.444 481 N HA -0.060 4.688 4.740 0.015 0.000 0.271 481 N C 0.406 176.045 175.510 0.214 0.000 1.069 481 N CA 0.115 53.329 53.050 0.273 0.000 0.965 481 N CB 1.047 39.722 38.487 0.313 0.000 1.092 481 N HN 0.306 nan 8.380 nan 0.000 0.476 482 E N 2.494 122.777 120.200 0.139 0.000 2.150 482 E HA -0.130 4.229 4.350 0.015 0.000 0.193 482 E C 0.943 177.651 176.600 0.180 0.000 0.985 482 E CA 0.931 57.419 56.400 0.147 0.000 0.814 482 E CB 0.229 29.982 29.700 0.089 0.000 0.752 482 E HN 0.582 nan 8.360 nan 0.000 0.466 483 S N -0.283 115.488 115.700 0.119 0.000 2.368 483 S HA -0.108 4.371 4.470 0.015 0.000 0.224 483 S C 1.945 176.578 174.600 0.054 0.000 1.029 483 S CA 1.005 59.253 58.200 0.080 0.000 0.988 483 S CB -0.030 63.203 63.200 0.054 0.000 0.838 483 S HN 0.174 nan 8.310 nan 0.000 0.462 484 V N 0.898 120.833 119.914 0.035 0.000 2.407 484 V HA -0.198 3.931 4.120 0.015 0.000 0.248 484 V C 1.943 178.056 176.094 0.031 0.000 1.055 484 V CA 1.992 64.267 62.300 -0.042 0.000 1.049 484 V CB -0.789 30.884 31.823 -0.249 0.000 0.662 484 V HN 0.645 nan 8.190 nan 0.000 0.455 485 Y N 1.222 121.531 120.300 0.015 0.000 2.145 485 Y HA -0.189 4.370 4.550 0.015 0.000 0.286 485 Y C 2.515 178.422 175.900 0.012 0.000 1.145 485 Y CA 1.714 59.831 58.100 0.027 0.000 1.148 485 Y CB -0.193 38.295 38.460 0.045 0.000 0.981 485 Y HN 0.023 nan 8.280 nan 0.000 0.507 486 K N 0.514 120.880 120.400 -0.058 0.000 2.097 486 K HA -0.113 4.215 4.320 0.015 0.000 0.206 486 K C 2.307 178.804 176.600 -0.172 0.000 1.049 486 K CA 1.248 57.435 56.287 -0.166 0.000 0.933 486 K CB -0.759 31.754 32.500 0.022 0.000 0.717 486 K HN 0.494 nan 8.250 nan 0.000 0.442 487 A N 1.355 124.117 122.820 -0.097 0.000 1.930 487 A HA -0.110 4.219 4.320 0.015 0.000 0.215 487 A C 2.327 179.863 177.584 -0.081 0.000 1.176 487 A CA 1.834 53.829 52.037 -0.069 0.000 0.632 487 A CB -0.458 18.520 19.000 -0.036 0.000 0.819 487 A HN 0.410 nan 8.150 nan 0.000 0.445 488 S N -0.139 115.497 115.700 -0.107 0.000 2.383 488 S HA -0.126 4.353 4.470 0.015 0.000 0.227 488 S C 1.864 176.384 174.600 -0.133 0.000 1.026 488 S CA 1.334 59.479 58.200 -0.092 0.000 0.981 488 S CB -0.631 62.523 63.200 -0.078 0.000 0.818 488 S HN 0.390 nan 8.310 nan 0.000 0.472 489 L N 2.274 123.337 121.223 -0.266 0.000 2.046 489 L HA -0.010 4.339 4.340 0.015 0.000 0.208 489 L C 2.707 179.476 176.870 -0.169 0.000 1.077 489 L CA 2.142 56.815 54.840 -0.279 0.000 0.747 489 L CB -1.327 40.425 42.059 -0.510 0.000 0.896 489 L HN 0.476 nan 8.230 nan 0.000 0.432 490 S N -0.938 114.667 115.700 -0.158 0.000 2.370 490 S HA -0.199 4.280 4.470 0.015 0.000 0.226 490 S C 2.086 176.613 174.600 -0.121 0.000 1.033 490 S CA 1.713 59.837 58.200 -0.127 0.000 1.011 490 S CB -0.450 62.692 63.200 -0.097 0.000 0.852 490 S HN 0.496 nan 8.310 nan 0.000 0.457 491 L N 0.894 122.093 121.223 -0.040 0.000 2.046 491 L HA -0.095 4.254 4.340 0.015 0.000 0.208 491 L C 2.440 179.398 176.870 0.146 0.000 1.077 491 L CA 0.883 55.762 54.840 0.065 0.000 0.747 491 L CB -0.559 41.613 42.059 0.189 0.000 0.896 491 L HN 0.352 nan 8.230 nan 0.000 0.432 492 I N 0.017 120.659 120.570 0.119 0.000 2.226 492 I HA -0.262 3.916 4.170 0.015 0.000 0.245 492 I C 2.441 178.600 176.117 0.069 0.000 1.100 492 I CA 1.533 62.942 61.300 0.181 0.000 1.374 492 I CB -1.038 36.979 38.000 0.029 0.000 1.057 492 I HN 0.345 nan 8.210 nan 0.000 0.413 493 E N 0.488 120.649 120.200 -0.065 0.000 2.107 493 E HA -0.172 4.187 4.350 0.015 0.000 0.191 493 E C 2.132 178.590 176.600 -0.237 0.000 0.982 493 E CA 0.933 57.260 56.400 -0.122 0.000 0.809 493 E CB 0.090 29.714 29.700 -0.127 0.000 0.756 493 E HN 0.469 nan 8.360 nan 0.000 0.459 494 K N -0.541 119.598 120.400 -0.436 0.000 2.137 494 K HA -0.042 4.287 4.320 0.015 0.000 0.202 494 K C 0.978 177.022 176.600 -0.926 0.000 1.052 494 K CA 0.931 56.739 56.287 -0.797 0.000 0.961 494 K CB 0.264 32.016 32.500 -1.246 0.000 0.741 494 K HN 0.148 nan 8.250 nan 0.000 0.452 495 Y N -2.053 117.970 120.300 -0.461 0.000 2.471 495 Y HA 0.246 4.804 4.550 0.015 0.000 0.249 495 Y C 0.275 175.647 175.900 -0.880 0.000 1.116 495 Y CA -0.577 57.052 58.100 -0.785 0.000 1.240 495 Y CB 0.608 38.162 38.460 -1.511 0.000 1.251 495 Y HN -0.114 nan 8.280 nan 0.000 0.527 496 F N -0.992 118.947 119.950 -0.019 0.000 2.835 496 F HA 0.387 4.923 4.527 0.015 0.000 0.342 496 F C 0.494 176.287 175.800 -0.011 0.000 1.202 496 F CA -0.257 57.753 58.000 0.016 0.000 1.240 496 F CB 0.697 39.714 39.000 0.028 0.000 1.005 496 F HN -0.277 nan 8.300 nan 0.000 0.507 497 S N 0.602 116.337 115.700 0.058 0.000 2.422 497 S HA 0.179 4.658 4.470 0.015 0.000 0.226 497 S C -0.030 174.575 174.600 0.007 0.000 1.242 497 S CA -0.291 57.928 58.200 0.032 0.000 1.231 497 S CB 0.504 63.700 63.200 -0.006 0.000 1.067 497 S HN 0.095 nan 8.310 nan 0.000 0.462 498 V N 2.329 122.256 119.914 0.022 0.000 2.788 498 V HA 0.123 4.252 4.120 0.015 0.000 0.307 498 V C 0.309 176.409 176.094 0.010 0.000 1.069 498 V CA 0.726 63.033 62.300 0.011 0.000 1.173 498 V CB 0.729 32.566 31.823 0.023 0.000 0.925 498 V HN 0.584 nan 8.190 nan 0.000 0.492 499 E N 0.000 120.201 120.200 0.002 0.000 2.725 499 E HA 0.000 4.359 4.350 0.015 0.000 0.291 499 E CA 0.000 56.402 56.400 0.003 0.000 0.976 499 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 499 E HN 0.000 nan 8.360 nan 0.000 0.440