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 1a14_1_N DATA FIRST_RESID 82 DATA SEQUENCE RDFNNLTKGL cTINSWHIYG KDNAVRIGED SDVLVTREPY VScDPDEcRF DATA SEQUENCE YALSQGTTIR GKHSNGTIHD RSQYRALISW PLSSPPTYNS RVEcIGWSST DATA SEQUENCE ScHDGKTRMS IcISGPNNNA SAVIWYNRRP VTEINTWARN ILRTQESEcV DATA SEQUENCE cHNGVcPVVF TDGSATGPAE TRIYYFKEGK ILKWEPLAGT AKHIEEcScY DATA SEQUENCE GERAEITcTc RDNWQGSNRP VIRIDPVAMT HTSQYIcSPV LTDNPRPNDP DATA SEQUENCE TVXGKcNDPY PGNNNNGVKG FSYLDGVNTW LGRTISIASR SGYEMLKVPN DATA SEQUENCE ALTDDKSKPT QXGQTIVLNT DWSGYSGSFM WAEGEcYRAc FYVELIRGRP DATA SEQUENCE KEDKVWWTSN SIVSMcSSTE FLGQWDWPDG AKIEYFL 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 82 R HA 0.000 nan 4.340 nan 0.000 0.208 82 R C 0.000 176.329 176.300 0.048 0.000 0.893 82 R CA 0.000 56.146 56.100 0.077 0.000 0.921 82 R CB 0.000 30.384 30.300 0.140 0.000 0.687 83 D N -0.138 120.322 120.400 0.100 0.000 2.879 83 D HA 0.422 5.062 4.640 -0.000 0.000 0.236 83 D C -1.051 175.365 176.300 0.193 0.000 1.171 83 D CA -0.636 53.384 54.000 0.034 0.000 0.868 83 D CB 0.828 41.654 40.800 0.043 0.000 1.598 83 D HN 0.123 nan 8.370 nan 0.000 0.497 84 F N 1.961 121.998 119.950 0.145 0.000 2.537 84 F HA -0.038 4.488 4.527 -0.000 0.000 0.402 84 F C 1.374 177.247 175.800 0.123 0.000 1.005 84 F CA 0.243 58.331 58.000 0.147 0.000 1.203 84 F CB -0.576 38.476 39.000 0.086 0.000 0.955 84 F HN 0.291 nan 8.300 nan 0.000 0.547 85 N N 3.086 122.000 118.700 0.358 0.000 2.529 85 N HA 0.181 4.921 4.740 -0.000 0.000 0.278 85 N C -0.974 174.572 175.510 0.061 0.000 1.146 85 N CA -0.321 52.820 53.050 0.152 0.000 0.980 85 N CB 0.425 38.903 38.487 -0.016 0.000 1.124 85 N HN 0.392 nan 8.380 nan 0.000 0.458 86 N N 2.982 121.706 118.700 0.040 0.000 2.399 86 N HA 0.261 5.001 4.740 -0.000 0.000 0.280 86 N C -0.924 174.753 175.510 0.277 0.000 1.008 86 N CA -0.443 52.661 53.050 0.090 0.000 0.894 86 N CB 1.396 39.864 38.487 -0.032 0.000 1.273 86 N HN 0.495 nan 8.380 nan 0.000 0.486 87 L N 2.080 123.594 121.223 0.485 0.000 2.574 87 L HA 0.051 4.391 4.340 -0.000 0.000 0.281 87 L C 1.659 178.668 176.870 0.232 0.000 1.212 87 L CA 0.150 55.190 54.840 0.335 0.000 1.082 87 L CB -0.747 41.406 42.059 0.157 0.000 1.362 87 L HN 0.629 nan 8.230 nan 0.000 0.451 88 T N -2.087 112.562 114.554 0.157 0.000 3.014 88 T HA 0.141 4.491 4.350 -0.000 0.000 0.250 88 T C 0.702 175.325 174.700 -0.128 0.000 1.060 88 T CA -0.221 61.897 62.100 0.031 0.000 1.040 88 T CB 0.218 69.107 68.868 0.036 0.000 0.971 88 T HN 0.377 nan 8.240 nan 0.000 0.497 89 K N 0.931 121.100 120.400 -0.384 0.000 2.166 89 K HA 0.692 5.011 4.320 -0.000 0.000 0.245 89 K C 0.349 176.640 176.600 -0.516 0.000 0.967 89 K CA -1.152 54.803 56.287 -0.554 0.000 0.863 89 K CB 1.518 33.531 32.500 -0.811 0.000 1.107 89 K HN 0.154 nan 8.250 nan 0.000 0.436 90 G N 0.662 109.273 108.800 -0.315 0.000 2.557 90 G HA2 0.431 4.391 3.960 -0.000 0.000 0.302 90 G HA3 0.431 4.391 3.960 -0.000 0.000 0.302 90 G C -0.360 174.449 174.900 -0.152 0.000 1.311 90 G CA -1.031 43.977 45.100 -0.154 0.000 1.030 90 G HN 0.349 nan 8.290 nan 0.000 0.509 91 L N -0.390 120.805 121.223 -0.046 0.000 2.417 91 L HA 0.228 4.568 4.340 -0.000 0.000 0.268 91 L C 0.308 177.114 176.870 -0.107 0.000 1.158 91 L CA -0.687 54.112 54.840 -0.068 0.000 0.819 91 L CB 0.915 42.937 42.059 -0.060 0.000 1.112 91 L HN 0.369 nan 8.230 nan 0.000 0.458 92 c N 0.737 119.249 118.600 -0.147 0.000 2.595 92 c HA 0.176 4.746 4.570 -0.000 0.000 0.384 92 c C 1.082 175.073 174.090 -0.166 0.000 1.289 92 c CA -0.515 55.722 56.329 -0.153 0.000 2.372 92 c CB 0.579 42.985 42.510 -0.172 0.000 2.593 92 c HN 0.686 nan 8.230 nan 0.000 0.639 93 T N 2.430 116.897 114.554 -0.145 0.000 2.902 93 T HA 0.183 4.533 4.350 -0.000 0.000 0.301 93 T C 0.023 174.579 174.700 -0.239 0.000 1.012 93 T CA 0.553 62.573 62.100 -0.133 0.000 1.151 93 T CB -0.180 68.625 68.868 -0.104 0.000 0.946 93 T HN 0.363 nan 8.240 nan 0.000 0.542 94 I N 4.869 125.298 120.570 -0.235 0.000 2.287 94 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 94 I C 0.979 176.879 176.117 -0.361 0.000 1.069 94 I CA -0.446 60.556 61.300 -0.497 0.000 1.237 94 I CB 0.665 38.249 38.000 -0.693 0.000 1.418 94 I HN 0.550 nan 8.210 nan 0.000 0.481 95 N N 2.848 121.235 118.700 -0.521 0.000 2.414 95 N HA 0.066 4.806 4.740 -0.000 0.000 0.177 95 N C 0.486 175.773 175.510 -0.371 0.000 1.062 95 N CA 0.373 53.095 53.050 -0.547 0.000 0.890 95 N CB 0.631 38.433 38.487 -1.141 0.000 1.070 95 N HN 0.721 nan 8.380 nan 0.000 0.454 96 S N -1.596 113.773 115.700 -0.552 0.000 2.815 96 S HA 0.623 5.093 4.470 -0.000 0.000 0.296 96 S C -2.146 172.026 174.600 -0.713 0.000 1.224 96 S CA -0.898 57.107 58.200 -0.324 0.000 0.938 96 S CB 1.050 64.269 63.200 0.032 0.000 1.285 96 S HN 0.117 nan 8.310 nan 0.000 0.549 97 W N 0.708 122.016 121.300 0.012 0.000 3.129 97 W HA 0.650 5.310 4.660 -0.000 0.000 0.333 97 W C -0.445 176.136 176.519 0.104 0.000 1.141 97 W CA -0.418 56.937 57.345 0.016 0.000 1.224 97 W CB 1.001 30.507 29.460 0.077 0.000 1.393 97 W HN 1.070 nan 8.180 nan 0.000 0.499 98 H N -0.253 118.945 119.070 0.213 0.000 2.651 98 H HA 0.811 5.367 4.556 -0.000 0.000 0.353 98 H C -0.025 175.343 175.328 0.067 0.000 1.178 98 H CA -1.309 54.827 56.048 0.147 0.000 1.224 98 H CB 0.945 30.757 29.762 0.083 0.000 1.702 98 H HN 0.261 nan 8.280 nan 0.000 0.550 99 I N -0.094 120.472 120.570 -0.007 0.000 2.779 99 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 99 I C 0.290 176.351 176.117 -0.093 0.000 1.134 99 I CA -0.239 60.890 61.300 -0.286 0.000 1.398 99 I CB -0.118 37.501 38.000 -0.635 0.000 1.404 99 I HN 0.739 nan 8.210 nan 0.000 0.587 100 Y N 2.841 122.976 120.300 -0.275 0.000 2.817 100 Y HA 0.649 5.199 4.550 -0.000 0.000 0.257 100 Y C 0.754 176.598 175.900 -0.094 0.000 1.055 100 Y CA 0.352 58.367 58.100 -0.141 0.000 1.319 100 Y CB 0.375 38.760 38.460 -0.125 0.000 1.481 100 Y HN 0.712 nan 8.280 nan 0.000 0.471 101 G N 0.750 109.406 108.800 -0.240 0.000 2.720 101 G HA2 0.486 4.446 3.960 -0.000 0.000 0.295 101 G HA3 0.486 4.446 3.960 -0.000 0.000 0.295 101 G C -2.036 172.866 174.900 0.003 0.000 1.437 101 G CA -0.942 44.018 45.100 -0.234 0.000 0.886 101 G HN 0.053 nan 8.290 nan 0.000 0.509 102 K N 0.685 121.130 120.400 0.075 0.000 2.615 102 K HA 0.258 4.577 4.320 -0.000 0.000 0.249 102 K C -0.057 176.677 176.600 0.223 0.000 0.977 102 K CA -0.629 55.742 56.287 0.142 0.000 0.833 102 K CB 1.584 34.145 32.500 0.100 0.000 1.208 102 K HN 0.536 nan 8.250 nan 0.000 0.443 103 D N 3.090 123.667 120.400 0.296 0.000 2.277 103 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 103 D C 0.034 176.442 176.300 0.181 0.000 0.962 103 D CA 0.454 54.639 54.000 0.309 0.000 0.865 103 D CB -0.005 41.063 40.800 0.446 0.000 0.939 103 D HN 0.651 nan 8.370 nan 0.000 0.510 104 N N -0.042 118.746 118.700 0.146 0.000 2.681 104 N HA -0.256 4.484 4.740 -0.000 0.000 0.250 104 N C 1.161 176.730 175.510 0.098 0.000 1.133 104 N CA 0.831 53.955 53.050 0.123 0.000 0.732 104 N CB -1.310 37.250 38.487 0.122 0.000 1.107 104 N HN 0.471 nan 8.380 nan 0.000 0.559 105 A N -0.019 122.851 122.820 0.083 0.000 1.903 105 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 105 A C 2.224 179.811 177.584 0.005 0.000 1.191 105 A CA 2.316 54.367 52.037 0.025 0.000 0.638 105 A CB -0.540 18.452 19.000 -0.012 0.000 0.823 105 A HN 0.215 nan 8.150 nan 0.000 0.451 106 V N -0.393 119.539 119.914 0.030 0.000 2.427 106 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 106 V C 2.572 178.795 176.094 0.216 0.000 1.051 106 V CA 2.141 64.471 62.300 0.049 0.000 1.048 106 V CB -0.884 30.963 31.823 0.039 0.000 0.666 106 V HN 0.536 nan 8.190 nan 0.000 0.456 107 R N 0.136 120.747 120.500 0.186 0.000 2.073 107 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 107 R C 2.213 178.579 176.300 0.109 0.000 1.134 107 R CA 1.688 57.896 56.100 0.180 0.000 0.952 107 R CB -0.423 29.959 30.300 0.136 0.000 0.850 107 R HN 0.403 nan 8.270 nan 0.000 0.433 108 I N 0.248 120.863 120.570 0.076 0.000 2.830 108 I HA -0.100 4.070 4.170 -0.000 0.000 0.263 108 I C 2.200 178.331 176.117 0.023 0.000 1.230 108 I CA 0.930 62.251 61.300 0.035 0.000 1.480 108 I CB -0.325 37.693 38.000 0.029 0.000 1.095 108 I HN 0.331 nan 8.210 nan 0.000 0.455 109 G N 0.055 108.886 108.800 0.052 0.000 2.534 109 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 109 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 109 G C 1.547 176.534 174.900 0.146 0.000 1.128 109 G CA 0.092 45.218 45.100 0.043 0.000 0.784 109 G HN 0.312 nan 8.290 nan 0.000 0.542 110 E N 0.633 120.900 120.200 0.112 0.000 2.106 110 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 110 E C 0.724 177.257 176.600 -0.111 0.000 0.984 110 E CA 1.043 57.338 56.400 -0.175 0.000 0.806 110 E CB 0.053 29.413 29.700 -0.568 0.000 0.750 110 E HN 0.361 nan 8.360 nan 0.000 0.458 111 D N -0.431 119.924 120.400 -0.074 0.000 2.571 111 D HA 0.201 4.840 4.640 -0.000 0.000 0.239 111 D C -1.148 175.136 176.300 -0.027 0.000 1.267 111 D CA -0.095 53.869 54.000 -0.060 0.000 0.823 111 D CB 0.593 41.345 40.800 -0.080 0.000 1.056 111 D HN -0.154 nan 8.370 nan 0.000 0.494 112 S N -0.662 115.027 115.700 -0.018 0.000 2.588 112 S HA 0.229 4.699 4.470 -0.000 0.000 0.275 112 S C -1.277 173.295 174.600 -0.046 0.000 1.130 112 S CA -0.823 57.368 58.200 -0.015 0.000 0.855 112 S CB 1.417 64.611 63.200 -0.010 0.000 1.116 112 S HN -0.012 nan 8.310 nan 0.000 0.472 113 D N 2.357 122.723 120.400 -0.058 0.000 2.671 113 D HA 0.171 4.810 4.640 -0.000 0.000 0.228 113 D C 0.019 176.170 176.300 -0.247 0.000 1.102 113 D CA 0.301 54.204 54.000 -0.163 0.000 1.044 113 D CB -0.324 40.328 40.800 -0.247 0.000 1.113 113 D HN 0.090 nan 8.370 nan 0.000 0.480 114 V N 0.992 120.783 119.914 -0.205 0.000 2.904 114 V HA 0.320 4.440 4.120 -0.000 0.000 0.305 114 V C 0.734 176.661 176.094 -0.278 0.000 1.067 114 V CA -0.803 61.346 62.300 -0.253 0.000 1.044 114 V CB 1.658 33.358 31.823 -0.205 0.000 1.050 114 V HN 0.177 nan 8.190 nan 0.000 0.475 115 L N 2.054 123.080 121.223 -0.328 0.000 2.334 115 L HA 0.503 4.843 4.340 -0.000 0.000 0.275 115 L C -0.309 176.401 176.870 -0.265 0.000 1.036 115 L CA -0.797 53.870 54.840 -0.290 0.000 0.807 115 L CB 1.801 43.671 42.059 -0.314 0.000 1.231 115 L HN 0.330 nan 8.230 nan 0.000 0.438 116 V N 1.582 121.373 119.914 -0.205 0.000 2.572 116 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 116 V C 0.492 176.513 176.094 -0.121 0.000 1.039 116 V CA 0.170 62.370 62.300 -0.167 0.000 1.055 116 V CB 0.855 32.620 31.823 -0.096 0.000 0.969 116 V HN 1.000 nan 8.190 nan 0.000 0.482 117 T N 3.473 117.970 114.554 -0.095 0.000 2.762 117 T HA 0.798 5.148 4.350 -0.000 0.000 0.301 117 T C -0.688 174.011 174.700 -0.003 0.000 1.299 117 T CA -1.011 61.062 62.100 -0.045 0.000 1.005 117 T CB 2.637 71.468 68.868 -0.062 0.000 1.377 117 T HN 0.600 nan 8.240 nan 0.000 0.504 118 R N -0.723 119.797 120.500 0.033 0.000 2.826 118 R HA 0.424 4.764 4.340 -0.000 0.000 0.269 118 R C -1.208 175.148 176.300 0.094 0.000 1.031 118 R CA -0.796 55.323 56.100 0.032 0.000 0.900 118 R CB 0.868 31.157 30.300 -0.018 0.000 1.318 118 R HN 0.860 nan 8.270 nan 0.000 0.447 119 E N 0.406 120.671 120.200 0.109 0.000 2.199 119 E HA -0.169 4.181 4.350 -0.000 0.000 0.208 119 E C -2.403 174.387 176.600 0.316 0.000 1.310 119 E CA 0.655 57.236 56.400 0.303 0.000 0.709 119 E CB -1.090 28.812 29.700 0.337 0.000 1.127 119 E HN 0.238 nan 8.360 nan 0.000 0.354 120 P HA 0.297 nan 4.420 nan 0.000 0.297 120 P C -0.477 176.809 177.300 -0.023 0.000 1.303 120 P CA -0.126 62.992 63.100 0.029 0.000 0.753 120 P CB 0.577 32.247 31.700 -0.049 0.000 1.281 121 Y N -4.915 115.037 120.300 -0.580 0.000 2.841 121 Y HA 0.489 5.039 4.550 -0.000 0.000 0.373 121 Y C -1.828 173.627 175.900 -0.743 0.000 1.170 121 Y CA -1.380 56.035 58.100 -1.143 0.000 1.196 121 Y CB -0.094 38.012 38.460 -0.591 0.000 1.433 121 Y HN 0.122 nan 8.280 nan 0.000 0.479 122 V N 1.420 120.950 119.914 -0.641 0.000 2.547 122 V HA 0.844 4.964 4.120 -0.000 0.000 0.299 122 V C -0.304 175.604 176.094 -0.310 0.000 1.040 122 V CA -0.372 61.581 62.300 -0.579 0.000 0.913 122 V CB 1.340 32.320 31.823 -1.406 0.000 0.992 122 V HN 0.847 nan 8.190 nan 0.000 0.449 123 S N 2.000 117.672 115.700 -0.047 0.000 2.563 123 S HA 0.513 4.983 4.470 -0.000 0.000 0.279 123 S C -0.755 173.956 174.600 0.185 0.000 1.155 123 S CA -0.484 57.773 58.200 0.096 0.000 0.928 123 S CB 0.958 64.052 63.200 -0.176 0.000 1.107 123 S HN 0.883 nan 8.310 nan 0.000 0.462 124 c N 3.025 121.772 118.600 0.245 0.000 2.351 124 c HA 0.804 5.374 4.570 -0.000 0.000 0.359 124 c C 0.215 174.240 174.090 -0.110 0.000 1.193 124 c CA -0.673 55.740 56.329 0.141 0.000 2.270 124 c CB 0.680 43.332 42.510 0.236 0.000 2.369 124 c HN 0.844 nan 8.230 nan 0.000 0.553 125 D N 0.382 120.562 120.400 -0.365 0.000 2.525 125 D HA 0.400 5.040 4.640 -0.000 0.000 0.249 125 D C -1.907 173.680 176.300 -1.188 0.000 1.072 125 D CA -1.651 51.813 54.000 -0.893 0.000 1.067 125 D CB 0.829 41.319 40.800 -0.517 0.000 1.282 125 D HN 0.123 nan 8.370 nan 0.000 0.587 126 P HA -0.008 nan 4.420 nan 0.000 0.223 126 P C 0.015 177.038 177.300 -0.463 0.000 1.151 126 P CA 0.992 63.385 63.100 -1.178 0.000 0.787 126 P CB 0.280 31.438 31.700 -0.903 0.000 0.788 127 D N -1.636 118.526 120.400 -0.395 0.000 2.423 127 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 127 D C 0.346 176.560 176.300 -0.142 0.000 1.068 127 D CA 0.069 53.949 54.000 -0.199 0.000 0.860 127 D CB -0.171 40.534 40.800 -0.159 0.000 0.992 127 D HN 0.276 nan 8.370 nan 0.000 0.504 128 E N -1.233 118.867 120.200 -0.167 0.000 2.400 128 E HA 0.424 4.774 4.350 -0.000 0.000 0.285 128 E C -1.494 175.061 176.600 -0.074 0.000 1.005 128 E CA -1.044 55.297 56.400 -0.100 0.000 0.816 128 E CB 0.711 30.349 29.700 -0.103 0.000 1.220 128 E HN -0.016 nan 8.360 nan 0.000 0.426 129 c N 1.727 120.319 118.600 -0.013 0.000 2.398 129 c HA 0.744 5.314 4.570 -0.000 0.000 0.364 129 c C 0.187 174.217 174.090 -0.100 0.000 1.219 129 c CA -0.394 55.959 56.329 0.041 0.000 2.312 129 c CB 0.195 42.834 42.510 0.215 0.000 2.428 129 c HN 0.725 nan 8.230 nan 0.000 0.564 130 R N 0.110 120.553 120.500 -0.095 0.000 2.846 130 R HA 0.627 4.966 4.340 -0.000 0.000 0.263 130 R C -1.562 174.501 176.300 -0.394 0.000 1.080 130 R CA -0.671 55.224 56.100 -0.341 0.000 0.961 130 R CB 0.855 30.948 30.300 -0.346 0.000 1.231 130 R HN 0.415 nan 8.270 nan 0.000 0.465 131 F N 0.937 120.328 119.950 -0.931 0.000 2.422 131 F HA 0.467 4.994 4.527 -0.000 0.000 0.333 131 F C -0.506 174.344 175.800 -1.584 0.000 1.095 131 F CA -0.961 56.236 58.000 -1.339 0.000 1.038 131 F CB 0.945 38.712 39.000 -2.055 0.000 1.156 131 F HN 0.259 nan 8.300 nan 0.000 0.483 132 Y N 0.866 120.587 120.300 -0.964 0.000 2.477 132 Y HA 0.727 5.277 4.550 -0.000 0.000 0.347 132 Y C -0.167 175.326 175.900 -0.678 0.000 0.981 132 Y CA -1.023 56.557 58.100 -0.866 0.000 1.033 132 Y CB 2.078 39.698 38.460 -1.399 0.000 1.245 132 Y HN 0.713 nan 8.280 nan 0.000 0.455 133 A N 1.896 124.664 122.820 -0.088 0.000 2.567 133 A HA 0.630 4.950 4.320 -0.000 0.000 0.291 133 A C -2.428 175.221 177.584 0.109 0.000 1.048 133 A CA -0.827 51.246 52.037 0.061 0.000 0.661 133 A CB 1.108 20.248 19.000 0.234 0.000 1.288 133 A HN 0.507 nan 8.150 nan 0.000 0.424 134 L N 2.297 123.587 121.223 0.113 0.000 2.261 134 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 134 L C 1.088 177.991 176.870 0.056 0.000 1.059 134 L CA 0.221 55.122 54.840 0.101 0.000 0.816 134 L CB 0.390 42.534 42.059 0.141 0.000 1.191 134 L HN 0.856 nan 8.230 nan 0.000 0.431 135 S N 2.829 118.540 115.700 0.019 0.000 2.614 135 S HA 0.161 4.631 4.470 -0.000 0.000 0.265 135 S C 0.761 175.369 174.600 0.013 0.000 1.303 135 S CA -0.182 58.000 58.200 -0.030 0.000 1.000 135 S CB 0.853 64.007 63.200 -0.077 0.000 0.935 135 S HN 0.648 nan 8.310 nan 0.000 0.551 136 Q N 0.979 120.779 119.800 -0.000 0.000 2.159 136 Q HA 0.208 4.548 4.340 -0.000 0.000 0.217 136 Q C 0.862 176.897 176.000 0.058 0.000 0.818 136 Q CA 0.473 56.308 55.803 0.054 0.000 1.008 136 Q CB 0.754 29.526 28.738 0.057 0.000 1.148 136 Q HN 1.162 nan 8.270 nan 0.000 0.491 137 G N 1.866 110.671 108.800 0.009 0.000 2.246 137 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 137 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 137 G C -0.000 174.856 174.900 -0.073 0.000 1.055 137 G CA 0.916 46.004 45.100 -0.020 0.000 0.851 137 G HN 0.272 nan 8.290 nan 0.000 0.500 138 T N -0.953 113.557 114.554 -0.072 0.000 2.886 138 T HA 0.628 4.977 4.350 -0.000 0.000 0.330 138 T C 0.015 174.653 174.700 -0.105 0.000 1.488 138 T CA -0.093 61.967 62.100 -0.066 0.000 1.054 138 T CB 1.684 70.553 68.868 0.003 0.000 1.348 138 T HN 1.000 nan 8.240 nan 0.000 0.489 139 T N -0.493 114.001 114.554 -0.101 0.000 2.918 139 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 139 T C 1.673 176.279 174.700 -0.157 0.000 1.001 139 T CA -0.986 61.029 62.100 -0.143 0.000 1.041 139 T CB 0.521 69.318 68.868 -0.119 0.000 1.028 139 T HN 0.523 nan 8.240 nan 0.000 0.511 140 I N 0.312 120.730 120.570 -0.254 0.000 2.142 140 I HA -0.112 4.058 4.170 -0.000 0.000 0.240 140 I C 2.614 178.571 176.117 -0.266 0.000 1.078 140 I CA 1.177 62.203 61.300 -0.456 0.000 1.343 140 I CB -0.376 37.206 38.000 -0.697 0.000 1.046 140 I HN 0.573 nan 8.210 nan 0.000 0.405 141 R N 1.619 122.064 120.500 -0.093 0.000 2.340 141 R HA 0.103 4.443 4.340 -0.000 0.000 0.215 141 R C 0.415 176.736 176.300 0.034 0.000 1.017 141 R CA 0.037 56.165 56.100 0.047 0.000 1.111 141 R CB -0.431 29.921 30.300 0.087 0.000 1.049 141 R HN 0.315 nan 8.270 nan 0.000 0.490 142 G N -0.093 108.711 108.800 0.007 0.000 2.389 142 G HA2 0.161 4.121 3.960 -0.000 0.000 0.328 142 G HA3 0.161 4.121 3.960 -0.000 0.000 0.328 142 G C 0.336 175.254 174.900 0.030 0.000 1.133 142 G CA -0.614 44.504 45.100 0.029 0.000 0.891 142 G HN 0.027 nan 8.290 nan 0.000 0.485 143 K N 0.109 120.495 120.400 -0.023 0.000 2.442 143 K HA -0.124 4.195 4.320 -0.000 0.000 0.199 143 K C 1.236 177.699 176.600 -0.228 0.000 1.044 143 K CA 1.115 57.321 56.287 -0.135 0.000 0.941 143 K CB 0.014 32.376 32.500 -0.230 0.000 0.759 143 K HN 0.643 nan 8.250 nan 0.000 0.472 144 H N -0.957 118.100 119.070 -0.023 0.000 2.548 144 H HA 0.028 4.584 4.556 -0.000 0.000 0.265 144 H C 1.926 177.264 175.328 0.017 0.000 0.969 144 H CA 0.816 56.847 56.048 -0.029 0.000 1.155 144 H CB 0.336 30.056 29.762 -0.070 0.000 1.394 144 H HN 0.174 nan 8.280 nan 0.000 0.570 145 S N -0.003 115.767 115.700 0.117 0.000 2.507 145 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 145 S C 1.144 175.876 174.600 0.220 0.000 0.988 145 S CA 0.229 58.513 58.200 0.140 0.000 0.944 145 S CB -0.326 62.932 63.200 0.096 0.000 0.762 145 S HN 0.299 nan 8.310 nan 0.000 0.526 146 N N 1.646 120.454 118.700 0.179 0.000 2.442 146 N HA 0.410 5.150 4.740 -0.000 0.000 0.265 146 N C 0.984 176.603 175.510 0.182 0.000 1.138 146 N CA 1.042 54.216 53.050 0.206 0.000 0.956 146 N CB 0.352 38.858 38.487 0.032 0.000 1.067 146 N HN 0.378 nan 8.380 nan 0.000 0.474 147 G N 2.017 110.953 108.800 0.227 0.000 2.238 147 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 147 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 147 G C 0.807 175.827 174.900 0.200 0.000 0.996 147 G CA 0.426 45.679 45.100 0.255 0.000 0.632 147 G HN 0.813 nan 8.290 nan 0.000 0.503 148 T N -0.531 114.116 114.554 0.156 0.000 3.179 148 T HA 0.134 4.483 4.350 -0.000 0.000 0.269 148 T C 1.950 176.663 174.700 0.022 0.000 1.187 148 T CA 1.137 63.306 62.100 0.115 0.000 1.054 148 T CB -0.066 68.882 68.868 0.132 0.000 0.874 148 T HN 0.675 nan 8.240 nan 0.000 0.568 149 I N 0.014 120.515 120.570 -0.114 0.000 3.578 149 I HA 0.128 4.298 4.170 -0.000 0.000 0.295 149 I C 0.031 175.975 176.117 -0.289 0.000 1.280 149 I CA -0.319 60.846 61.300 -0.225 0.000 1.347 149 I CB 0.018 37.826 38.000 -0.320 0.000 1.051 149 I HN 0.287 nan 8.210 nan 0.000 0.460 150 H N 1.242 120.324 119.070 0.019 0.000 2.742 150 H HA 0.058 4.614 4.556 -0.000 0.000 0.302 150 H C 0.744 176.068 175.328 -0.008 0.000 1.069 150 H CA -0.401 55.647 56.048 0.001 0.000 1.446 150 H CB 0.789 30.561 29.762 0.016 0.000 1.462 150 H HN 0.116 nan 8.280 nan 0.000 0.499 151 D N 3.081 123.516 120.400 0.058 0.000 2.144 151 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 151 D C 0.207 176.497 176.300 -0.018 0.000 0.984 151 D CA 1.429 55.430 54.000 0.002 0.000 0.834 151 D CB 0.343 41.114 40.800 -0.047 0.000 0.955 151 D HN 0.529 nan 8.370 nan 0.000 0.465 152 R N -0.483 119.957 120.500 -0.100 0.000 2.628 152 R HA 0.555 4.895 4.340 -0.000 0.000 0.288 152 R C -0.557 175.706 176.300 -0.063 0.000 0.980 152 R CA -0.505 55.488 56.100 -0.178 0.000 0.891 152 R CB 2.505 32.319 30.300 -0.809 0.000 1.188 152 R HN 0.002 nan 8.270 nan 0.000 0.450 153 S N 0.142 115.869 115.700 0.044 0.000 2.611 153 S HA 0.070 4.540 4.470 -0.000 0.000 0.268 153 S C 0.070 174.579 174.600 -0.152 0.000 1.156 153 S CA -1.035 57.128 58.200 -0.061 0.000 0.817 153 S CB 1.503 64.710 63.200 0.012 0.000 1.122 153 S HN 0.557 nan 8.310 nan 0.000 0.466 154 Q N 0.003 119.473 119.800 -0.550 0.000 2.482 154 Q HA 0.018 4.358 4.340 -0.000 0.000 0.209 154 Q C 0.234 175.930 176.000 -0.507 0.000 0.961 154 Q CA 1.026 56.526 55.803 -0.505 0.000 0.945 154 Q CB -0.793 27.612 28.738 -0.555 0.000 1.012 154 Q HN 0.837 nan 8.270 nan 0.000 0.515 155 Y N 0.934 121.271 120.300 0.063 0.000 2.490 155 Y HA 0.236 4.786 4.550 -0.000 0.000 0.281 155 Y C 0.760 176.680 175.900 0.033 0.000 1.174 155 Y CA -0.421 57.697 58.100 0.030 0.000 1.295 155 Y CB 0.136 38.603 38.460 0.013 0.000 1.062 155 Y HN -0.030 nan 8.280 nan 0.000 0.522 156 R N 0.910 121.475 120.500 0.108 0.000 2.457 156 R HA 0.738 5.078 4.340 -0.000 0.000 0.284 156 R C -0.494 175.840 176.300 0.057 0.000 1.024 156 R CA -0.443 55.719 56.100 0.102 0.000 1.025 156 R CB 1.177 31.567 30.300 0.150 0.000 1.063 156 R HN 0.093 nan 8.270 nan 0.000 0.493 157 A N 2.272 125.113 122.820 0.034 0.000 2.486 157 A HA 0.341 4.661 4.320 -0.000 0.000 0.300 157 A C -1.345 176.239 177.584 0.001 0.000 1.048 157 A CA -0.791 51.243 52.037 -0.004 0.000 0.696 157 A CB 1.476 20.457 19.000 -0.031 0.000 1.278 157 A HN 0.535 nan 8.150 nan 0.000 0.405 158 L N 3.506 124.721 121.223 -0.014 0.000 2.361 158 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 158 L C -0.492 176.372 176.870 -0.011 0.000 1.113 158 L CA 0.030 54.882 54.840 0.020 0.000 0.849 158 L CB -0.402 41.676 42.059 0.033 0.000 1.155 158 L HN 0.573 nan 8.230 nan 0.000 0.452 159 I N 2.258 122.840 120.570 0.020 0.000 2.785 159 I HA 0.896 5.066 4.170 -0.000 0.000 0.302 159 I C -0.290 175.839 176.117 0.021 0.000 1.069 159 I CA -0.524 60.780 61.300 0.007 0.000 1.045 159 I CB 2.124 40.118 38.000 -0.010 0.000 1.236 159 I HN 0.627 nan 8.210 nan 0.000 0.429 160 S N 2.265 117.910 115.700 -0.093 0.000 2.568 160 S HA 0.915 5.385 4.470 -0.000 0.000 0.293 160 S C -1.300 173.320 174.600 0.035 0.000 1.089 160 S CA -0.646 57.312 58.200 -0.404 0.000 0.945 160 S CB 1.205 63.794 63.200 -1.018 0.000 1.077 160 S HN 1.095 nan 8.310 nan 0.000 0.485 161 W N -1.357 119.727 121.300 -0.361 0.000 3.025 161 W HA 0.724 5.384 4.660 -0.000 0.000 0.343 161 W C -3.586 172.793 176.519 -0.232 0.000 1.246 161 W CA -2.441 54.768 57.345 -0.225 0.000 1.178 161 W CB -0.340 29.034 29.460 -0.144 0.000 1.463 161 W HN 0.435 nan 8.180 nan 0.000 0.578 162 P HA -0.041 nan 4.420 nan 0.000 0.265 162 P C -0.117 176.952 177.300 -0.386 0.000 1.187 162 P CA 0.135 63.132 63.100 -0.172 0.000 0.766 162 P CB 0.393 32.056 31.700 -0.063 0.000 0.820 163 L N 3.252 124.145 121.223 -0.550 0.000 2.525 163 L HA -0.012 4.328 4.340 -0.000 0.000 0.278 163 L C 0.706 177.161 176.870 -0.692 0.000 1.218 163 L CA 1.147 55.419 54.840 -0.948 0.000 0.878 163 L CB -0.654 40.944 42.059 -0.768 0.000 1.127 163 L HN 0.521 nan 8.230 nan 0.000 0.492 164 S N 1.466 116.641 115.700 -0.875 0.000 3.380 164 S HA -0.186 4.283 4.470 -0.000 0.000 0.300 164 S C 0.419 175.063 174.600 0.074 0.000 1.255 164 S CA 1.161 59.257 58.200 -0.174 0.000 0.963 164 S CB -1.444 61.642 63.200 -0.190 0.000 1.106 164 S HN 0.842 nan 8.310 nan 0.000 0.629 165 S N 1.710 117.511 115.700 0.169 0.000 2.621 165 S HA 0.684 5.154 4.470 -0.000 0.000 0.302 165 S C -2.389 172.458 174.600 0.413 0.000 1.093 165 S CA -1.176 57.163 58.200 0.230 0.000 1.017 165 S CB 1.937 65.245 63.200 0.179 0.000 1.077 165 S HN 0.219 nan 8.310 nan 0.000 0.517 166 P HA 0.294 nan 4.420 nan 0.000 0.281 166 P C -2.868 174.124 177.300 -0.514 0.000 1.249 166 P CA -2.189 60.900 63.100 -0.020 0.000 0.810 166 P CB 0.032 31.699 31.700 -0.055 0.000 1.008 167 P HA 0.052 nan 4.420 nan 0.000 0.256 167 P C 0.401 177.255 177.300 -0.743 0.000 1.688 167 P CA 0.415 62.552 63.100 -1.605 0.000 1.162 167 P CB -0.224 30.301 31.700 -1.958 0.000 1.870 168 T N 2.242 116.489 114.554 -0.511 0.000 4.536 168 T HA 0.014 4.364 4.350 -0.000 0.000 0.337 168 T C 0.620 175.085 174.700 -0.391 0.000 1.148 168 T CA 0.171 62.052 62.100 -0.365 0.000 0.923 168 T CB -0.480 68.261 68.868 -0.212 0.000 1.977 168 T HN 0.214 nan 8.240 nan 0.000 0.477 169 Y N 1.564 121.809 120.300 -0.092 0.000 3.578 169 Y HA -0.284 4.266 4.550 -0.000 0.000 0.441 169 Y C 1.636 177.497 175.900 -0.065 0.000 0.845 169 Y CA 1.657 59.715 58.100 -0.070 0.000 2.904 169 Y CB -1.585 36.840 38.460 -0.059 0.000 0.852 169 Y HN 0.586 nan 8.280 nan 0.000 0.576 170 N N -0.827 117.878 118.700 0.009 0.000 2.235 170 N HA 0.140 4.880 4.740 -0.000 0.000 0.231 170 N C -0.736 174.762 175.510 -0.020 0.000 1.177 170 N CA 0.308 53.359 53.050 0.003 0.000 0.874 170 N CB 0.328 38.826 38.487 0.019 0.000 1.097 170 N HN 0.118 nan 8.380 nan 0.000 0.518 171 S N 0.404 116.062 115.700 -0.070 0.000 2.525 171 S HA 0.362 4.832 4.470 -0.000 0.000 0.290 171 S C -0.313 174.260 174.600 -0.045 0.000 1.152 171 S CA -0.816 57.355 58.200 -0.049 0.000 1.072 171 S CB 2.153 65.269 63.200 -0.139 0.000 1.027 171 S HN 0.257 nan 8.310 nan 0.000 0.500 172 R N 2.278 122.755 120.500 -0.038 0.000 2.229 172 R HA 0.405 4.745 4.340 -0.000 0.000 0.328 172 R C -1.147 175.102 176.300 -0.085 0.000 1.009 172 R CA -0.387 55.674 56.100 -0.065 0.000 0.864 172 R CB 0.483 30.738 30.300 -0.074 0.000 1.085 172 R HN 0.472 nan 8.270 nan 0.000 0.453 173 V N 5.658 125.513 119.914 -0.097 0.000 2.470 173 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 173 V C 1.035 177.017 176.094 -0.187 0.000 1.040 173 V CA -0.049 62.179 62.300 -0.121 0.000 1.008 173 V CB 1.316 33.069 31.823 -0.115 0.000 0.990 173 V HN 0.848 nan 8.190 nan 0.000 0.477 174 E N 2.896 122.981 120.200 -0.193 0.000 2.021 174 E HA 0.013 4.363 4.350 -0.000 0.000 0.189 174 E C 0.648 176.890 176.600 -0.596 0.000 0.980 174 E CA 1.262 57.489 56.400 -0.289 0.000 0.803 174 E CB 0.149 29.776 29.700 -0.122 0.000 0.766 174 E HN 0.906 nan 8.360 nan 0.000 0.449 175 c N -0.881 117.438 118.600 -0.468 0.000 3.316 175 c HA 0.650 5.220 4.570 -0.000 0.000 0.360 175 c C -0.773 173.185 174.090 -0.220 0.000 1.560 175 c CA -1.231 54.765 56.329 -0.555 0.000 1.229 175 c CB 0.624 42.706 42.510 -0.714 0.000 1.823 175 c HN 0.083 nan 8.230 nan 0.000 0.440 176 I N 2.093 122.595 120.570 -0.113 0.000 2.354 176 I HA 0.815 4.985 4.170 -0.000 0.000 0.292 176 I C 0.738 176.804 176.117 -0.084 0.000 0.989 176 I CA 0.668 61.933 61.300 -0.059 0.000 1.188 176 I CB 0.452 38.444 38.000 -0.013 0.000 1.342 176 I HN 1.371 nan 8.210 nan 0.000 0.457 177 G N 6.227 114.975 108.800 -0.087 0.000 2.317 177 G HA2 0.218 4.178 3.960 -0.000 0.000 0.293 177 G HA3 0.218 4.178 3.960 -0.000 0.000 0.293 177 G C -1.084 173.800 174.900 -0.026 0.000 1.287 177 G CA -0.522 44.455 45.100 -0.204 0.000 0.850 177 G HN 0.575 nan 8.290 nan 0.000 0.515 178 W N -0.277 121.040 121.300 0.029 0.000 2.499 178 W HA 0.637 5.297 4.660 -0.000 0.000 0.362 178 W C -0.096 176.463 176.519 0.066 0.000 0.945 178 W CA 0.055 57.425 57.345 0.041 0.000 1.721 178 W CB 0.445 29.920 29.460 0.025 0.000 1.156 178 W HN 0.778 nan 8.180 nan 0.000 0.547 179 S N 1.699 117.533 115.700 0.223 0.000 2.543 179 S HA 0.591 5.061 4.470 -0.000 0.000 0.273 179 S C -0.648 173.995 174.600 0.071 0.000 1.152 179 S CA 0.071 58.405 58.200 0.223 0.000 0.910 179 S CB 1.571 64.926 63.200 0.259 0.000 1.105 179 S HN 0.283 nan 8.310 nan 0.000 0.465 180 S N 2.021 117.788 115.700 0.113 0.000 2.661 180 S HA 0.874 5.344 4.470 -0.000 0.000 0.268 180 S C -0.793 173.831 174.600 0.040 0.000 1.162 180 S CA -0.294 57.953 58.200 0.079 0.000 0.817 180 S CB 1.490 64.770 63.200 0.133 0.000 1.141 180 S HN 1.098 nan 8.310 nan 0.000 0.477 181 T N -0.401 114.154 114.554 0.002 0.000 2.786 181 T HA 0.750 5.100 4.350 -0.000 0.000 0.316 181 T C -1.741 172.932 174.700 -0.045 0.000 1.503 181 T CA 0.145 62.163 62.100 -0.136 0.000 1.019 181 T CB 1.274 70.020 68.868 -0.204 0.000 1.415 181 T HN 1.625 nan 8.240 nan 0.000 0.496 182 S N 0.082 115.719 115.700 -0.104 0.000 2.565 182 S HA 0.708 5.178 4.470 -0.000 0.000 0.274 182 S C -1.624 172.929 174.600 -0.080 0.000 1.144 182 S CA -0.186 57.977 58.200 -0.060 0.000 0.849 182 S CB 0.316 63.474 63.200 -0.069 0.000 1.103 182 S HN 1.649 nan 8.310 nan 0.000 0.455 183 c N 2.637 121.233 118.600 -0.006 0.000 3.241 183 c HA 0.655 5.224 4.570 -0.000 0.000 0.348 183 c C -0.865 173.301 174.090 0.127 0.000 1.180 183 c CA -0.897 55.476 56.329 0.074 0.000 1.273 183 c CB 0.669 43.239 42.510 0.101 0.000 1.620 183 c HN 1.006 nan 8.230 nan 0.000 0.510 184 H N 1.725 120.881 119.070 0.143 0.000 2.525 184 H HA 0.331 4.887 4.556 -0.000 0.000 0.339 184 H C 0.023 175.553 175.328 0.337 0.000 1.109 184 H CA 1.054 57.183 56.048 0.134 0.000 1.352 184 H CB 1.871 31.586 29.762 -0.077 0.000 1.461 184 H HN 0.958 nan 8.280 nan 0.000 0.533 185 D N 1.769 122.308 120.400 0.231 0.000 2.402 185 D HA 0.136 4.776 4.640 -0.000 0.000 0.216 185 D C 1.356 178.028 176.300 0.620 0.000 1.128 185 D CA 0.477 54.719 54.000 0.403 0.000 0.833 185 D CB 0.417 41.382 40.800 0.275 0.000 0.971 185 D HN 0.868 nan 8.370 nan 0.000 0.503 186 G N 0.705 110.043 108.800 0.898 0.000 2.349 186 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.213 186 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.213 186 G C 1.209 176.453 174.900 0.573 0.000 1.044 186 G CA 0.269 45.897 45.100 0.880 0.000 0.633 186 G HN 0.381 nan 8.290 nan 0.000 0.506 187 K N -0.640 120.029 120.400 0.448 0.000 2.172 187 K HA 0.353 4.673 4.320 -0.000 0.000 0.203 187 K C 1.377 178.051 176.600 0.123 0.000 1.040 187 K CA 1.300 57.739 56.287 0.254 0.000 0.974 187 K CB 0.409 33.020 32.500 0.186 0.000 0.857 187 K HN 0.332 nan 8.250 nan 0.000 0.464 188 T N -0.963 113.501 114.554 -0.150 0.000 2.550 188 T HA 0.403 4.752 4.350 -0.000 0.000 0.256 188 T C -1.603 172.496 174.700 -1.002 0.000 0.866 188 T CA -0.664 61.130 62.100 -0.511 0.000 1.163 188 T CB 1.350 69.955 68.868 -0.438 0.000 1.460 188 T HN 0.049 nan 8.240 nan 0.000 0.498 189 R N 0.991 121.071 120.500 -0.700 0.000 2.621 189 R HA 0.637 4.977 4.340 -0.000 0.000 0.284 189 R C -1.249 174.887 176.300 -0.273 0.000 0.998 189 R CA -0.639 55.199 56.100 -0.437 0.000 0.895 189 R CB 1.712 31.881 30.300 -0.217 0.000 1.195 189 R HN 0.676 nan 8.270 nan 0.000 0.450 190 M N 3.118 122.689 119.600 -0.048 0.000 2.294 190 M HA 0.478 4.957 4.480 -0.000 0.000 0.335 190 M C -1.486 174.846 176.300 0.054 0.000 1.079 190 M CA -0.173 55.184 55.300 0.097 0.000 0.982 190 M CB 1.980 34.713 32.600 0.222 0.000 1.651 190 M HN 0.591 nan 8.290 nan 0.000 0.437 191 S N 5.647 121.395 115.700 0.080 0.000 2.557 191 S HA 0.685 5.155 4.470 -0.000 0.000 0.291 191 S C -0.872 173.774 174.600 0.076 0.000 1.116 191 S CA -0.694 57.537 58.200 0.052 0.000 0.992 191 S CB 1.510 64.715 63.200 0.008 0.000 1.028 191 S HN 0.714 nan 8.310 nan 0.000 0.484 192 I N 1.787 122.381 120.570 0.039 0.000 2.465 192 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 192 I C -0.881 175.259 176.117 0.038 0.000 1.014 192 I CA -0.511 60.821 61.300 0.053 0.000 1.093 192 I CB 1.679 39.688 38.000 0.014 0.000 1.267 192 I HN 0.489 nan 8.210 nan 0.000 0.431 193 c N 6.658 125.286 118.600 0.047 0.000 2.396 193 c HA 0.601 5.171 4.570 -0.000 0.000 0.321 193 c C -0.073 173.950 174.090 -0.111 0.000 1.233 193 c CA -0.458 55.852 56.329 -0.033 0.000 1.440 193 c CB 0.961 43.441 42.510 -0.050 0.000 2.110 193 c HN 0.485 nan 8.230 nan 0.000 0.473 194 I N 3.353 123.767 120.570 -0.259 0.000 2.577 194 I HA 0.714 4.884 4.170 -0.000 0.000 0.305 194 I C 0.477 176.025 176.117 -0.948 0.000 0.986 194 I CA 0.806 61.799 61.300 -0.511 0.000 1.189 194 I CB 1.703 39.361 38.000 -0.571 0.000 1.355 194 I HN 0.813 nan 8.210 nan 0.000 0.476 195 S N 2.512 117.626 115.700 -0.977 0.000 2.595 195 S HA 0.932 5.402 4.470 -0.000 0.000 0.270 195 S C -0.559 173.854 174.600 -0.312 0.000 1.145 195 S CA -0.137 57.472 58.200 -0.985 0.000 0.825 195 S CB 1.398 64.348 63.200 -0.417 0.000 1.107 195 S HN 1.767 nan 8.310 nan 0.000 0.461 196 G N 0.682 109.611 108.800 0.214 0.000 2.384 196 G HA2 0.269 4.229 3.960 -0.000 0.000 0.668 196 G HA3 0.269 4.229 3.960 -0.000 0.000 0.668 196 G C -3.493 171.628 174.900 0.369 0.000 1.280 196 G CA -0.533 44.718 45.100 0.251 0.000 0.992 196 G HN 0.807 nan 8.290 nan 0.000 0.512 197 P HA 0.170 nan 4.420 nan 0.000 0.269 197 P C 0.744 178.109 177.300 0.109 0.000 1.217 197 P CA -0.271 62.884 63.100 0.091 0.000 0.783 197 P CB 0.373 32.100 31.700 0.045 0.000 0.898 198 N N 1.494 120.204 118.700 0.017 0.000 2.289 198 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 198 N C 0.871 176.386 175.510 0.007 0.000 1.016 198 N CA 1.091 54.133 53.050 -0.013 0.000 0.872 198 N CB -0.573 37.864 38.487 -0.084 0.000 0.973 198 N HN 0.524 nan 8.380 nan 0.000 0.433 199 N N -0.860 117.843 118.700 0.004 0.000 2.275 199 N HA 0.093 4.833 4.740 -0.000 0.000 0.236 199 N C -0.340 175.167 175.510 -0.005 0.000 1.154 199 N CA -0.053 52.992 53.050 -0.010 0.000 0.866 199 N CB 0.131 38.610 38.487 -0.014 0.000 1.093 199 N HN -0.121 nan 8.380 nan 0.000 0.515 200 N N -0.109 118.598 118.700 0.011 0.000 2.330 200 N HA 0.217 4.957 4.740 -0.000 0.000 0.249 200 N C -0.889 174.627 175.510 0.009 0.000 1.413 200 N CA -0.170 52.882 53.050 0.003 0.000 0.817 200 N CB 0.991 39.483 38.487 0.008 0.000 1.362 200 N HN 0.376 nan 8.380 nan 0.000 0.499 201 A N -0.083 122.752 122.820 0.025 0.000 2.448 201 A HA 0.582 4.902 4.320 -0.000 0.000 0.239 201 A C 0.397 177.923 177.584 -0.097 0.000 1.080 201 A CA 0.415 52.462 52.037 0.017 0.000 0.779 201 A CB 0.391 19.456 19.000 0.108 0.000 1.026 201 A HN 0.144 nan 8.150 nan 0.000 0.499 202 S N -1.110 114.500 115.700 -0.150 0.000 2.570 202 S HA 0.684 5.154 4.470 -0.000 0.000 0.286 202 S C -0.578 173.909 174.600 -0.188 0.000 1.099 202 S CA 0.152 58.261 58.200 -0.152 0.000 0.913 202 S CB 1.677 64.814 63.200 -0.105 0.000 1.085 202 S HN 1.606 nan 8.310 nan 0.000 0.480 203 A N 2.441 125.171 122.820 -0.150 0.000 2.328 203 A HA 0.632 4.952 4.320 -0.000 0.000 0.318 203 A C -0.521 177.035 177.584 -0.047 0.000 1.347 203 A CA -0.563 51.419 52.037 -0.091 0.000 0.842 203 A CB 0.579 19.520 19.000 -0.098 0.000 1.148 203 A HN 0.752 nan 8.150 nan 0.000 0.499 204 V N 4.850 124.758 119.914 -0.009 0.000 2.383 204 V HA 0.587 4.707 4.120 -0.000 0.000 0.275 204 V C -0.564 175.591 176.094 0.102 0.000 1.036 204 V CA -0.478 61.834 62.300 0.020 0.000 0.889 204 V CB 0.715 32.564 31.823 0.044 0.000 0.985 204 V HN 0.624 nan 8.190 nan 0.000 0.459 205 I N 7.961 128.529 120.570 -0.003 0.000 2.315 205 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 205 I C -0.591 175.549 176.117 0.038 0.000 1.006 205 I CA 0.060 61.356 61.300 -0.007 0.000 1.265 205 I CB 1.067 38.922 38.000 -0.242 0.000 1.387 205 I HN 0.614 nan 8.210 nan 0.000 0.475 206 W N 6.424 127.696 121.300 -0.047 0.000 2.516 206 W HA 0.478 5.138 4.660 -0.000 0.000 0.343 206 W C -0.739 175.821 176.519 0.068 0.000 1.094 206 W CA -0.513 56.834 57.345 0.003 0.000 1.250 206 W CB 0.737 30.192 29.460 -0.007 0.000 1.308 206 W HN 0.248 nan 8.180 nan 0.000 0.588 207 Y N 2.999 123.389 120.300 0.149 0.000 2.330 207 Y HA 0.186 4.736 4.550 -0.000 0.000 0.324 207 Y C 0.282 176.239 175.900 0.094 0.000 1.093 207 Y CA -1.373 56.776 58.100 0.081 0.000 1.103 207 Y CB 0.948 39.425 38.460 0.029 0.000 1.183 207 Y HN 0.687 nan 8.280 nan 0.000 0.433 208 N N 6.045 124.527 118.700 -0.363 0.000 2.708 208 N HA -0.230 4.510 4.740 -0.000 0.000 0.255 208 N C -0.463 175.060 175.510 0.022 0.000 1.046 208 N CA 0.946 53.867 53.050 -0.215 0.000 0.715 208 N CB -0.278 38.081 38.487 -0.213 0.000 0.895 208 N HN 1.037 nan 8.380 nan 0.000 0.545 209 R N -2.047 118.520 120.500 0.113 0.000 3.627 209 R HA -0.221 4.119 4.340 -0.000 0.000 0.281 209 R C -0.560 176.032 176.300 0.486 0.000 1.140 209 R CA 1.370 57.632 56.100 0.270 0.000 0.761 209 R CB -1.842 28.532 30.300 0.123 0.000 1.181 209 R HN 0.560 nan 8.270 nan 0.000 0.472 210 R N 0.435 121.166 120.500 0.384 0.000 2.628 210 R HA 0.380 4.720 4.340 -0.000 0.000 0.288 210 R C -2.494 173.573 176.300 -0.388 0.000 0.980 210 R CA -2.055 54.057 56.100 0.019 0.000 0.891 210 R CB 2.549 32.849 30.300 -0.000 0.000 1.188 210 R HN -0.116 nan 8.270 nan 0.000 0.450 211 P HA 0.058 nan 4.420 nan 0.000 0.276 211 P C -0.183 176.823 177.300 -0.488 0.000 1.230 211 P CA -0.079 62.294 63.100 -1.211 0.000 0.776 211 P CB 1.661 32.561 31.700 -1.335 0.000 0.888 212 V N 2.357 122.089 119.914 -0.305 0.000 2.996 212 V HA 0.153 4.272 4.120 -0.000 0.000 0.235 212 V C 0.937 176.963 176.094 -0.114 0.000 1.205 212 V CA 1.274 63.486 62.300 -0.147 0.000 1.225 212 V CB 0.223 32.015 31.823 -0.051 0.000 0.995 212 V HN 0.541 nan 8.190 nan 0.000 0.484 213 T N 0.619 115.106 114.554 -0.112 0.000 2.900 213 T HA 0.612 4.962 4.350 -0.000 0.000 0.295 213 T C -1.259 173.404 174.700 -0.060 0.000 1.044 213 T CA -0.355 61.712 62.100 -0.056 0.000 0.995 213 T CB 2.436 71.307 68.868 0.006 0.000 1.072 213 T HN 0.206 nan 8.240 nan 0.000 0.473 214 E N 1.649 121.829 120.200 -0.033 0.000 2.199 214 E HA 0.603 4.953 4.350 -0.000 0.000 0.269 214 E C -0.786 175.797 176.600 -0.027 0.000 0.899 214 E CA -0.436 55.940 56.400 -0.041 0.000 0.772 214 E CB 1.726 31.398 29.700 -0.047 0.000 1.155 214 E HN 0.435 nan 8.360 nan 0.000 0.408 215 I N 2.630 123.160 120.570 -0.066 0.000 2.420 215 I HA 0.292 4.461 4.170 -0.000 0.000 0.282 215 I C -0.345 175.715 176.117 -0.095 0.000 1.019 215 I CA -0.914 60.333 61.300 -0.090 0.000 1.130 215 I CB 1.348 39.198 38.000 -0.249 0.000 1.262 215 I HN 0.408 nan 8.210 nan 0.000 0.454 216 N N 3.223 121.899 118.700 -0.039 0.000 2.467 216 N HA 0.088 4.828 4.740 -0.000 0.000 0.262 216 N C 0.140 175.605 175.510 -0.075 0.000 1.234 216 N CA 0.147 53.164 53.050 -0.054 0.000 0.952 216 N CB 1.002 39.477 38.487 -0.019 0.000 1.158 216 N HN 0.557 nan 8.380 nan 0.000 0.463 217 T N 1.873 116.332 114.554 -0.159 0.000 2.905 217 T HA -0.019 4.331 4.350 -0.000 0.000 0.299 217 T C 1.005 175.615 174.700 -0.150 0.000 1.024 217 T CA 0.444 62.365 62.100 -0.298 0.000 1.151 217 T CB 0.010 68.749 68.868 -0.215 0.000 0.987 217 T HN 0.641 nan 8.240 nan 0.000 0.535 218 W N 3.777 125.011 121.300 -0.110 0.000 2.683 218 W HA 0.521 5.181 4.660 -0.000 0.000 0.267 218 W C 1.589 178.074 176.519 -0.056 0.000 1.243 218 W CA 0.199 57.482 57.345 -0.102 0.000 1.380 218 W CB -0.272 29.087 29.460 -0.167 0.000 1.063 218 W HN 0.696 nan 8.180 nan 0.000 0.599 219 A N 0.737 123.492 122.820 -0.109 0.000 2.465 219 A HA 0.397 4.717 4.320 -0.000 0.000 0.255 219 A C 0.961 178.504 177.584 -0.068 0.000 1.274 219 A CA -0.502 51.524 52.037 -0.018 0.000 0.920 219 A CB -0.619 18.391 19.000 0.017 0.000 1.033 219 A HN 0.240 nan 8.150 nan 0.000 0.516 220 R N -0.786 119.653 120.500 -0.102 0.000 3.387 220 R HA -0.226 4.113 4.340 -0.000 0.000 0.254 220 R C -0.487 175.775 176.300 -0.064 0.000 1.006 220 R CA 1.125 57.181 56.100 -0.073 0.000 0.677 220 R CB -2.123 28.157 30.300 -0.033 0.000 1.063 220 R HN 0.651 nan 8.270 nan 0.000 0.453 221 N N 0.212 118.858 118.700 -0.089 0.000 2.664 221 N HA 0.236 4.976 4.740 -0.000 0.000 0.268 221 N C -0.575 174.902 175.510 -0.055 0.000 1.222 221 N CA -0.536 52.477 53.050 -0.061 0.000 0.805 221 N CB 0.647 39.105 38.487 -0.049 0.000 1.399 221 N HN 0.271 nan 8.380 nan 0.000 0.547 222 I N 1.553 122.112 120.570 -0.018 0.000 6.400 222 I HA -0.296 3.874 4.170 -0.000 0.000 0.126 222 I C -0.503 175.677 176.117 0.106 0.000 1.494 222 I CA 0.238 61.566 61.300 0.045 0.000 2.484 222 I CB -0.828 37.134 38.000 -0.064 0.000 2.837 222 I HN 0.472 nan 8.210 nan 0.000 0.286 223 L N 7.825 129.125 121.223 0.129 0.000 2.456 223 L HA 0.290 4.630 4.340 -0.000 0.000 0.277 223 L C 0.834 177.816 176.870 0.186 0.000 1.124 223 L CA 0.550 55.357 54.840 -0.054 0.000 0.880 223 L CB 0.151 42.053 42.059 -0.262 0.000 1.192 223 L HN 0.513 nan 8.230 nan 0.000 0.463 224 R N 2.563 123.172 120.500 0.182 0.000 2.854 224 R HA 0.668 5.008 4.340 -0.000 0.000 0.271 224 R C -0.594 175.820 176.300 0.191 0.000 0.994 224 R CA -0.679 55.572 56.100 0.253 0.000 0.945 224 R CB 1.444 31.902 30.300 0.263 0.000 1.194 224 R HN 0.522 nan 8.270 nan 0.000 0.476 225 T N -1.036 113.579 114.554 0.102 0.000 2.688 225 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 225 T C 0.984 175.640 174.700 -0.074 0.000 0.944 225 T CA -0.307 61.739 62.100 -0.089 0.000 1.058 225 T CB 1.103 69.790 68.868 -0.301 0.000 1.673 225 T HN 0.626 nan 8.240 nan 0.000 0.565 226 Q N 0.028 119.735 119.800 -0.155 0.000 2.224 226 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 226 Q C -0.105 175.837 176.000 -0.097 0.000 0.970 226 Q CA 0.912 56.635 55.803 -0.132 0.000 0.865 226 Q CB 0.043 28.669 28.738 -0.186 0.000 0.922 226 Q HN 0.575 nan 8.270 nan 0.000 0.445 227 E N -0.256 119.905 120.200 -0.064 0.000 2.722 227 E HA -0.167 4.183 4.350 -0.000 0.000 0.265 227 E C -0.582 175.944 176.600 -0.123 0.000 1.081 227 E CA 1.012 57.442 56.400 0.051 0.000 0.781 227 E CB -1.711 28.100 29.700 0.186 0.000 1.372 227 E HN 0.195 nan 8.360 nan 0.000 0.423 228 S N -1.280 114.098 115.700 -0.538 0.000 2.643 228 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 228 S C -1.086 172.955 174.600 -0.931 0.000 1.166 228 S CA -0.375 57.399 58.200 -0.710 0.000 0.815 228 S CB 1.354 64.443 63.200 -0.185 0.000 1.139 228 S HN 0.289 nan 8.310 nan 0.000 0.472 229 E N 0.440 120.248 120.200 -0.652 0.000 2.371 229 E HA 0.523 4.872 4.350 -0.000 0.000 0.257 229 E C 0.199 176.699 176.600 -0.167 0.000 1.134 229 E CA -0.726 55.459 56.400 -0.358 0.000 0.919 229 E CB 0.352 29.986 29.700 -0.111 0.000 1.025 229 E HN 0.690 nan 8.360 nan 0.000 0.438 230 c N 0.477 119.025 118.600 -0.087 0.000 2.534 230 c HA 0.818 5.388 4.570 -0.000 0.000 0.398 230 c C -0.083 174.030 174.090 0.039 0.000 1.609 230 c CA -0.923 55.389 56.329 -0.028 0.000 1.916 230 c CB 0.090 42.595 42.510 -0.008 0.000 1.954 230 c HN 0.569 nan 8.230 nan 0.000 0.508 231 V N -0.037 119.908 119.914 0.053 0.000 2.623 231 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 231 V C -0.574 175.577 176.094 0.095 0.000 1.054 231 V CA -0.184 62.161 62.300 0.075 0.000 0.882 231 V CB 1.096 32.952 31.823 0.055 0.000 1.002 231 V HN 1.152 nan 8.190 nan 0.000 0.424 232 c N 3.423 122.096 118.600 0.122 0.000 2.382 232 c HA 0.722 5.292 4.570 -0.000 0.000 0.327 232 c C -0.200 173.991 174.090 0.168 0.000 1.250 232 c CA -0.684 55.727 56.329 0.135 0.000 1.707 232 c CB 0.639 43.232 42.510 0.139 0.000 2.272 232 c HN 0.969 nan 8.230 nan 0.000 0.506 233 H N 1.940 121.030 119.070 0.033 0.000 2.646 233 H HA 0.362 4.918 4.556 -0.000 0.000 0.328 233 H C 0.246 175.577 175.328 0.004 0.000 0.998 233 H CA 0.297 56.363 56.048 0.031 0.000 1.225 233 H CB 0.425 30.210 29.762 0.040 0.000 1.457 233 H HN 0.734 nan 8.280 nan 0.000 0.505 234 N N 3.640 122.179 118.700 -0.269 0.000 2.725 234 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 234 N C 1.016 176.312 175.510 -0.356 0.000 1.031 234 N CA 1.818 54.750 53.050 -0.197 0.000 0.720 234 N CB -1.137 37.210 38.487 -0.233 0.000 0.930 234 N HN 1.174 nan 8.380 nan 0.000 0.543 235 G N -2.575 105.865 108.800 -0.601 0.000 2.234 235 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.260 235 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.260 235 G C 0.097 174.739 174.900 -0.429 0.000 0.987 235 G CA 0.353 44.762 45.100 -1.151 0.000 0.625 235 G HN 0.812 nan 8.290 nan 0.000 0.532 236 V N 1.282 121.090 119.914 -0.178 0.000 2.385 236 V HA 0.450 4.570 4.120 -0.000 0.000 0.269 236 V C 0.543 176.693 176.094 0.093 0.000 1.043 236 V CA -0.332 61.968 62.300 -0.000 0.000 0.906 236 V CB 1.287 33.145 31.823 0.058 0.000 0.995 236 V HN 0.420 nan 8.190 nan 0.000 0.467 237 c N 8.327 127.012 118.600 0.141 0.000 2.250 237 c HA 0.425 4.995 4.570 -0.000 0.000 0.319 237 c C -2.068 172.118 174.090 0.159 0.000 1.124 237 c CA -1.470 54.956 56.329 0.163 0.000 1.527 237 c CB 0.271 42.897 42.510 0.193 0.000 2.001 237 c HN 0.633 nan 8.230 nan 0.000 0.435 238 P HA 0.377 nan 4.420 nan 0.000 0.280 238 P C -0.781 176.459 177.300 -0.100 0.000 1.244 238 P CA 0.191 63.206 63.100 -0.142 0.000 0.784 238 P CB 1.444 32.993 31.700 -0.251 0.000 0.913 239 V N 3.917 123.761 119.914 -0.116 0.000 2.656 239 V HA 0.300 4.419 4.120 -0.000 0.000 0.307 239 V C 0.048 176.041 176.094 -0.169 0.000 1.051 239 V CA -0.940 61.292 62.300 -0.112 0.000 0.893 239 V CB 2.424 34.254 31.823 0.012 0.000 0.999 239 V HN 0.436 nan 8.190 nan 0.000 0.426 240 V N 5.693 125.480 119.914 -0.211 0.000 2.347 240 V HA 0.666 4.786 4.120 -0.000 0.000 0.280 240 V C -0.985 175.050 176.094 -0.097 0.000 1.021 240 V CA -0.037 62.201 62.300 -0.102 0.000 0.847 240 V CB 0.751 32.514 31.823 -0.100 0.000 0.990 240 V HN 0.604 nan 8.190 nan 0.000 0.444 241 F N 3.522 123.563 119.950 0.152 0.000 2.457 241 F HA 0.831 5.358 4.527 -0.000 0.000 0.330 241 F C 0.739 176.674 175.800 0.225 0.000 1.069 241 F CA -0.412 57.710 58.000 0.203 0.000 1.009 241 F CB 2.422 41.663 39.000 0.401 0.000 1.276 241 F HN 0.455 nan 8.300 nan 0.000 0.492 242 T N 0.269 115.046 114.554 0.372 0.000 2.916 242 T HA 0.352 4.702 4.350 -0.000 0.000 0.305 242 T C -1.984 172.749 174.700 0.054 0.000 1.119 242 T CA -0.790 61.440 62.100 0.216 0.000 1.008 242 T CB 2.163 71.068 68.868 0.062 0.000 1.129 242 T HN 0.489 nan 8.240 nan 0.000 0.480 243 D N 0.289 120.680 120.400 -0.016 0.000 2.990 243 D HA 0.606 5.246 4.640 -0.000 0.000 0.227 243 D C -0.059 176.199 176.300 -0.070 0.000 1.249 243 D CA 0.427 54.284 54.000 -0.237 0.000 0.891 243 D CB 1.864 42.147 40.800 -0.862 0.000 1.647 243 D HN 1.045 nan 8.370 nan 0.000 0.530 244 G N 1.417 110.186 108.800 -0.051 0.000 2.371 244 G HA2 0.160 4.120 3.960 -0.000 0.000 0.663 244 G HA3 0.160 4.120 3.960 -0.000 0.000 0.663 244 G C -0.468 174.447 174.900 0.024 0.000 1.311 244 G CA -0.211 44.886 45.100 -0.006 0.000 0.985 244 G HN 0.741 nan 8.290 nan 0.000 0.566 245 S N -0.175 115.527 115.700 0.004 0.000 2.599 245 S HA 0.391 4.861 4.470 -0.000 0.000 0.303 245 S C 1.724 176.360 174.600 0.060 0.000 1.267 245 S CA 1.088 59.274 58.200 -0.023 0.000 1.055 245 S CB 0.733 63.864 63.200 -0.117 0.000 0.790 245 S HN 2.254 nan 8.310 nan 0.000 0.500 246 A N 4.485 127.314 122.820 0.015 0.000 1.943 246 A HA 0.108 4.428 4.320 -0.000 0.000 0.213 246 A C 2.207 179.649 177.584 -0.236 0.000 1.181 246 A CA 1.260 53.331 52.037 0.056 0.000 0.653 246 A CB -1.111 17.928 19.000 0.064 0.000 0.833 246 A HN 0.850 nan 8.150 nan 0.000 0.451 247 T N -0.149 114.281 114.554 -0.207 0.000 3.051 247 T HA 0.295 4.645 4.350 -0.000 0.000 0.269 247 T C 0.855 175.192 174.700 -0.604 0.000 1.127 247 T CA 1.120 63.068 62.100 -0.253 0.000 1.107 247 T CB -0.159 68.623 68.868 -0.144 0.000 0.898 247 T HN 0.711 nan 8.240 nan 0.000 0.517 248 G N 1.222 109.556 108.800 -0.777 0.000 2.706 248 G HA2 0.480 4.440 3.960 -0.000 0.000 0.307 248 G HA3 0.480 4.440 3.960 -0.000 0.000 0.307 248 G C -3.116 171.291 174.900 -0.823 0.000 1.307 248 G CA -1.104 43.197 45.100 -1.333 0.000 0.790 248 G HN -0.191 nan 8.290 nan 0.000 0.503 249 P HA 0.335 nan 4.420 nan 0.000 0.257 249 P C -0.073 177.224 177.300 -0.005 0.000 1.189 249 P CA 0.683 63.672 63.100 -0.185 0.000 0.780 249 P CB 0.886 32.495 31.700 -0.151 0.000 0.772 250 A N 4.285 127.178 122.820 0.122 0.000 2.373 250 A HA 0.502 4.822 4.320 -0.000 0.000 0.291 250 A C -0.149 177.508 177.584 0.121 0.000 1.171 250 A CA -0.704 51.389 52.037 0.095 0.000 0.922 250 A CB 0.971 20.022 19.000 0.085 0.000 1.400 250 A HN 0.483 nan 8.150 nan 0.000 0.474 251 E N 1.021 121.327 120.200 0.177 0.000 2.070 251 E HA 0.330 4.680 4.350 -0.000 0.000 0.261 251 E C -1.077 175.755 176.600 0.386 0.000 0.926 251 E CA -0.203 56.370 56.400 0.287 0.000 0.760 251 E CB 1.007 30.957 29.700 0.417 0.000 1.133 251 E HN 0.487 nan 8.360 nan 0.000 0.420 252 T N 3.244 117.939 114.554 0.235 0.000 2.806 252 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 252 T C 0.086 174.903 174.700 0.196 0.000 0.966 252 T CA -0.481 61.753 62.100 0.223 0.000 1.060 252 T CB 0.876 69.797 68.868 0.089 0.000 0.927 252 T HN 0.233 nan 8.240 nan 0.000 0.485 253 R N 2.161 122.813 120.500 0.255 0.000 2.575 253 R HA 0.489 4.829 4.340 -0.000 0.000 0.293 253 R C -1.160 175.253 176.300 0.188 0.000 0.983 253 R CA -0.911 55.276 56.100 0.144 0.000 0.887 253 R CB 1.731 31.929 30.300 -0.170 0.000 1.184 253 R HN 0.438 nan 8.270 nan 0.000 0.445 254 I N 3.284 123.851 120.570 -0.005 0.000 2.312 254 I HA 0.190 4.360 4.170 -0.000 0.000 0.291 254 I C -0.536 175.475 176.117 -0.177 0.000 1.031 254 I CA -0.121 61.076 61.300 -0.172 0.000 1.293 254 I CB 0.247 37.976 38.000 -0.451 0.000 1.403 254 I HN 0.371 nan 8.210 nan 0.000 0.484 255 Y N 5.713 125.865 120.300 -0.248 0.000 2.387 255 Y HA 0.474 5.024 4.550 -0.000 0.000 0.330 255 Y C -0.751 174.765 175.900 -0.641 0.000 1.133 255 Y CA -0.307 57.587 58.100 -0.344 0.000 1.152 255 Y CB 1.217 39.432 38.460 -0.408 0.000 1.215 255 Y HN 0.350 nan 8.280 nan 0.000 0.466 256 Y N 3.146 123.270 120.300 -0.294 0.000 2.376 256 Y HA 0.409 4.958 4.550 -0.000 0.000 0.326 256 Y C -1.122 174.642 175.900 -0.225 0.000 0.970 256 Y CA -0.935 57.054 58.100 -0.185 0.000 1.248 256 Y CB 0.496 38.894 38.460 -0.103 0.000 1.117 256 Y HN 0.369 nan 8.280 nan 0.000 0.476 257 F N 2.482 122.564 119.950 0.219 0.000 2.440 257 F HA 0.638 5.165 4.527 -0.000 0.000 0.328 257 F C 0.129 175.954 175.800 0.041 0.000 1.070 257 F CA -1.245 56.837 58.000 0.136 0.000 1.011 257 F CB 1.391 40.462 39.000 0.118 0.000 1.226 257 F HN 0.091 nan 8.300 nan 0.000 0.491 258 K N 1.458 121.972 120.400 0.189 0.000 2.656 258 K HA 0.147 4.467 4.320 -0.000 0.000 0.253 258 K C -0.805 175.697 176.600 -0.162 0.000 1.002 258 K CA -0.259 56.015 56.287 -0.021 0.000 0.880 258 K CB 1.226 33.707 32.500 -0.031 0.000 1.232 258 K HN 0.803 nan 8.250 nan 0.000 0.456 259 E N 1.574 121.516 120.200 -0.431 0.000 2.586 259 E HA -0.284 4.066 4.350 -0.000 0.000 0.259 259 E C 0.511 176.547 176.600 -0.940 0.000 1.107 259 E CA 0.944 56.711 56.400 -1.055 0.000 0.754 259 E CB -1.177 28.259 29.700 -0.440 0.000 1.335 259 E HN 1.150 nan 8.360 nan 0.000 0.411 260 G N 0.116 108.591 108.800 -0.543 0.000 2.195 260 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.246 260 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.246 260 G C 0.078 174.939 174.900 -0.066 0.000 0.984 260 G CA 0.553 45.515 45.100 -0.229 0.000 0.633 260 G HN 0.345 nan 8.290 nan 0.000 0.525 261 K N 0.647 121.065 120.400 0.030 0.000 2.259 261 K HA 0.758 5.078 4.320 -0.000 0.000 0.252 261 K C 0.208 177.021 176.600 0.355 0.000 0.936 261 K CA -1.231 55.159 56.287 0.173 0.000 0.810 261 K CB 2.264 34.812 32.500 0.081 0.000 1.143 261 K HN 0.181 nan 8.250 nan 0.000 0.427 262 I N 3.282 124.116 120.570 0.440 0.000 2.710 262 I HA -0.141 4.029 4.170 -0.000 0.000 0.286 262 I C 1.259 177.475 176.117 0.165 0.000 1.181 262 I CA 0.002 61.499 61.300 0.327 0.000 1.430 262 I CB 0.327 38.517 38.000 0.317 0.000 1.367 262 I HN 0.567 nan 8.210 nan 0.000 0.577 263 L N 4.960 126.243 121.223 0.100 0.000 2.467 263 L HA 0.196 4.536 4.340 -0.000 0.000 0.213 263 L C 0.296 177.166 176.870 -0.001 0.000 1.053 263 L CA 0.440 55.307 54.840 0.046 0.000 0.847 263 L CB -0.024 42.053 42.059 0.030 0.000 1.075 263 L HN 0.717 nan 8.230 nan 0.000 0.479 264 K N -0.699 119.705 120.400 0.008 0.000 2.685 264 K HA 0.309 4.629 4.320 -0.000 0.000 0.290 264 K C -1.941 174.650 176.600 -0.015 0.000 1.018 264 K CA -0.948 55.297 56.287 -0.070 0.000 0.860 264 K CB 0.855 33.251 32.500 -0.173 0.000 1.498 264 K HN 0.062 nan 8.250 nan 0.000 0.390 265 W N 0.847 121.968 121.300 -0.298 0.000 3.107 265 W HA 0.704 5.364 4.660 -0.000 0.000 0.331 265 W C -1.757 174.581 176.519 -0.302 0.000 1.204 265 W CA -0.586 56.442 57.345 -0.529 0.000 1.184 265 W CB 1.530 30.155 29.460 -1.391 0.000 1.421 265 W HN 0.939 nan 8.180 nan 0.000 0.544 266 E N 1.559 121.755 120.200 -0.005 0.000 2.352 266 E HA 0.437 4.787 4.350 -0.000 0.000 0.280 266 E C -2.910 173.784 176.600 0.156 0.000 0.930 266 E CA -2.249 54.066 56.400 -0.142 0.000 0.765 266 E CB 2.522 32.205 29.700 -0.028 0.000 1.219 266 E HN -0.005 nan 8.360 nan 0.000 0.434 267 P HA -0.102 nan 4.420 nan 0.000 0.264 267 P C 0.196 177.617 177.300 0.202 0.000 1.183 267 P CA -0.308 62.918 63.100 0.210 0.000 0.763 267 P CB 0.571 32.359 31.700 0.147 0.000 0.807 268 L N 2.767 124.076 121.223 0.143 0.000 2.540 268 L HA 0.252 4.592 4.340 -0.000 0.000 0.276 268 L C -0.351 176.685 176.870 0.277 0.000 1.212 268 L CA 0.552 55.485 54.840 0.155 0.000 0.893 268 L CB -0.088 42.016 42.059 0.075 0.000 1.138 268 L HN 0.467 nan 8.230 nan 0.000 0.491 269 A N 3.739 126.856 122.820 0.495 0.000 2.389 269 A HA 0.932 5.252 4.320 -0.000 0.000 0.293 269 A C 0.265 177.905 177.584 0.095 0.000 1.186 269 A CA 0.111 52.250 52.037 0.170 0.000 0.828 269 A CB 1.108 20.078 19.000 -0.050 0.000 1.369 269 A HN 1.834 nan 8.150 nan 0.000 0.446 270 G N -1.070 107.739 108.800 0.016 0.000 2.512 270 G HA2 0.130 4.090 3.960 -0.000 0.000 0.210 270 G HA3 0.130 4.090 3.960 -0.000 0.000 0.210 270 G C 0.392 175.313 174.900 0.035 0.000 1.295 270 G CA 0.722 45.827 45.100 0.008 0.000 0.934 270 G HN 2.106 nan 8.290 nan 0.000 0.554 271 T N -1.692 112.879 114.554 0.029 0.000 3.223 271 T HA 0.675 5.025 4.350 -0.000 0.000 0.259 271 T C 0.649 175.376 174.700 0.045 0.000 1.015 271 T CA 1.285 63.428 62.100 0.072 0.000 0.908 271 T CB 0.459 69.397 68.868 0.116 0.000 1.054 271 T HN 2.069 nan 8.240 nan 0.000 0.567 272 A N 1.762 124.547 122.820 -0.059 0.000 2.260 272 A HA 0.557 4.877 4.320 -0.000 0.000 0.312 272 A C 1.262 178.896 177.584 0.083 0.000 1.321 272 A CA -0.868 51.055 52.037 -0.191 0.000 0.928 272 A CB 0.575 19.423 19.000 -0.255 0.000 1.158 272 A HN 0.143 nan 8.150 nan 0.000 0.542 273 K N 1.068 121.620 120.400 0.252 0.000 2.148 273 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 273 K C 0.540 177.435 176.600 0.491 0.000 1.050 273 K CA 1.313 57.825 56.287 0.376 0.000 0.942 273 K CB -0.099 32.627 32.500 0.377 0.000 0.724 273 K HN 0.827 nan 8.250 nan 0.000 0.446 274 H N -1.015 118.236 119.070 0.301 0.000 2.996 274 H HA 0.365 4.921 4.556 -0.000 0.000 0.368 274 H C -1.319 174.102 175.328 0.155 0.000 1.185 274 H CA -0.690 55.511 56.048 0.255 0.000 1.160 274 H CB 1.667 31.640 29.762 0.351 0.000 1.820 274 H HN -0.199 nan 8.280 nan 0.000 0.547 275 I N 3.292 123.736 120.570 -0.209 0.000 2.644 275 I HA 0.267 4.436 4.170 -0.000 0.000 0.291 275 I C -0.707 175.326 176.117 -0.140 0.000 1.180 275 I CA -0.375 60.869 61.300 -0.093 0.000 1.040 275 I CB 2.082 40.044 38.000 -0.063 0.000 1.255 275 I HN 0.658 nan 8.210 nan 0.000 0.422 276 E N 4.071 124.255 120.200 -0.027 0.000 2.390 276 E HA 0.305 4.655 4.350 -0.000 0.000 0.280 276 E C -1.192 175.404 176.600 -0.006 0.000 0.992 276 E CA -0.884 55.514 56.400 -0.002 0.000 0.790 276 E CB 2.317 32.054 29.700 0.061 0.000 1.248 276 E HN 0.489 nan 8.360 nan 0.000 0.447 277 E N 0.265 120.453 120.200 -0.020 0.000 2.332 277 E HA -0.216 4.134 4.350 -0.000 0.000 0.162 277 E C -0.921 175.643 176.600 -0.060 0.000 1.637 277 E CA 0.129 56.493 56.400 -0.060 0.000 0.654 277 E CB -1.430 28.188 29.700 -0.137 0.000 1.072 277 E HN 0.319 nan 8.360 nan 0.000 0.336 278 c N 2.205 120.772 118.600 -0.054 0.000 2.499 278 c HA 0.241 4.810 4.570 -0.000 0.000 0.386 278 c C 1.106 175.180 174.090 -0.027 0.000 1.293 278 c CA -0.375 55.929 56.329 -0.042 0.000 1.884 278 c CB 0.675 43.149 42.510 -0.059 0.000 2.509 278 c HN 0.468 nan 8.230 nan 0.000 0.566 279 S N 2.289 118.002 115.700 0.021 0.000 2.410 279 S HA 0.393 4.863 4.470 -0.000 0.000 0.304 279 S C -0.279 174.371 174.600 0.084 0.000 1.095 279 S CA -0.376 57.871 58.200 0.078 0.000 1.089 279 S CB 0.113 63.413 63.200 0.167 0.000 0.968 279 S HN 0.847 nan 8.310 nan 0.000 0.480 280 c N 4.017 122.659 118.600 0.070 0.000 2.456 280 c HA 0.824 5.393 4.570 -0.000 0.000 0.325 280 c C -0.451 173.749 174.090 0.184 0.000 1.217 280 c CA -1.077 55.293 56.329 0.068 0.000 1.687 280 c CB -0.128 42.375 42.510 -0.012 0.000 2.270 280 c HN 0.924 nan 8.230 nan 0.000 0.499 281 Y N -0.174 120.176 120.300 0.084 0.000 2.609 281 Y HA 0.866 5.416 4.550 -0.000 0.000 0.342 281 Y C -0.156 175.805 175.900 0.102 0.000 1.058 281 Y CA -0.922 57.253 58.100 0.126 0.000 1.055 281 Y CB 1.166 39.798 38.460 0.287 0.000 1.292 281 Y HN 0.810 nan 8.280 nan 0.000 0.476 282 G N 1.065 110.018 108.800 0.256 0.000 2.482 282 G HA2 0.570 4.530 3.960 -0.000 0.000 0.317 282 G HA3 0.570 4.530 3.960 -0.000 0.000 0.317 282 G C -1.873 173.216 174.900 0.315 0.000 1.241 282 G CA -0.810 44.374 45.100 0.140 0.000 0.967 282 G HN 0.865 nan 8.290 nan 0.000 0.482 283 E N 1.470 121.814 120.200 0.241 0.000 2.481 283 E HA 0.202 4.552 4.350 -0.000 0.000 0.301 283 E C -0.423 176.235 176.600 0.096 0.000 0.948 283 E CA -0.709 55.860 56.400 0.281 0.000 0.804 283 E CB 0.996 30.908 29.700 0.353 0.000 1.265 283 E HN 0.714 nan 8.360 nan 0.000 0.406 284 R N 2.919 123.443 120.500 0.040 0.000 3.146 284 R HA -0.207 4.133 4.340 -0.000 0.000 0.250 284 R C 0.571 176.813 176.300 -0.096 0.000 0.912 284 R CA 0.777 56.861 56.100 -0.027 0.000 0.633 284 R CB -2.613 27.679 30.300 -0.015 0.000 1.180 284 R HN 1.206 nan 8.270 nan 0.000 0.464 285 A N -0.564 122.109 122.820 -0.244 0.000 2.816 285 A HA -0.296 4.024 4.320 -0.000 0.000 0.270 285 A C 0.436 177.827 177.584 -0.322 0.000 1.413 285 A CA 2.040 53.742 52.037 -0.558 0.000 0.866 285 A CB -0.928 17.882 19.000 -0.317 0.000 1.032 285 A HN 0.785 nan 8.150 nan 0.000 0.642 286 E N -0.674 119.419 120.200 -0.178 0.000 2.304 286 E HA 0.613 4.963 4.350 -0.000 0.000 0.277 286 E C -1.018 175.527 176.600 -0.092 0.000 0.898 286 E CA -0.907 55.432 56.400 -0.102 0.000 0.764 286 E CB 1.118 30.779 29.700 -0.064 0.000 1.216 286 E HN 0.471 nan 8.360 nan 0.000 0.419 287 I N 2.660 123.181 120.570 -0.082 0.000 2.385 287 I HA 0.319 4.489 4.170 -0.000 0.000 0.294 287 I C -0.106 175.903 176.117 -0.180 0.000 0.988 287 I CA -0.174 61.052 61.300 -0.124 0.000 1.265 287 I CB 1.960 39.925 38.000 -0.058 0.000 1.388 287 I HN 0.449 nan 8.210 nan 0.000 0.480 288 T N 3.907 118.248 114.554 -0.356 0.000 2.863 288 T HA 0.556 4.905 4.350 -0.000 0.000 0.285 288 T C -1.018 173.528 174.700 -0.256 0.000 1.009 288 T CA -0.535 61.368 62.100 -0.328 0.000 0.989 288 T CB 1.254 69.823 68.868 -0.499 0.000 1.004 288 T HN 0.534 nan 8.240 nan 0.000 0.455 289 c N 2.494 121.025 118.600 -0.116 0.000 2.446 289 c HA 0.576 5.146 4.570 -0.000 0.000 0.329 289 c C 0.409 174.491 174.090 -0.015 0.000 1.166 289 c CA -0.973 55.326 56.329 -0.051 0.000 1.341 289 c CB 0.760 43.239 42.510 -0.052 0.000 1.970 289 c HN 0.937 nan 8.230 nan 0.000 0.452 290 T N 2.593 117.163 114.554 0.026 0.000 2.727 290 T HA 0.400 4.750 4.350 -0.000 0.000 0.298 290 T C 0.380 175.091 174.700 0.017 0.000 0.942 290 T CA -0.150 61.966 62.100 0.028 0.000 0.997 290 T CB 0.138 69.030 68.868 0.041 0.000 0.917 290 T HN 0.806 nan 8.240 nan 0.000 0.487 291 c N 2.240 120.842 118.600 0.002 0.000 2.621 291 c HA 0.700 5.270 4.570 -0.000 0.000 0.391 291 c C 0.645 174.749 174.090 0.024 0.000 2.609 291 c CA -1.071 55.258 56.329 0.001 0.000 1.817 291 c CB 0.610 43.110 42.510 -0.016 0.000 2.368 291 c HN 0.738 nan 8.230 nan 0.000 0.422 292 R N 1.669 122.192 120.500 0.039 0.000 2.412 292 R HA 0.219 4.558 4.340 -0.000 0.000 0.304 292 R C -1.604 174.794 176.300 0.163 0.000 1.066 292 R CA 0.007 56.157 56.100 0.083 0.000 0.923 292 R CB 0.618 30.947 30.300 0.048 0.000 1.156 292 R HN 0.857 nan 8.270 nan 0.000 0.513 293 D N 3.109 123.639 120.400 0.216 0.000 2.383 293 D HA -0.007 4.633 4.640 -0.000 0.000 0.245 293 D C 0.761 177.252 176.300 0.319 0.000 1.263 293 D CA 0.156 54.356 54.000 0.333 0.000 0.936 293 D CB 0.641 41.690 40.800 0.414 0.000 1.053 293 D HN 0.514 nan 8.370 nan 0.000 0.507 294 N N 3.610 122.541 118.700 0.384 0.000 2.188 294 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 294 N C 1.170 176.779 175.510 0.165 0.000 1.018 294 N CA 0.713 53.901 53.050 0.229 0.000 0.858 294 N CB -0.100 38.516 38.487 0.216 0.000 0.989 294 N HN 0.519 nan 8.380 nan 0.000 0.426 295 W N 1.266 122.465 121.300 -0.168 0.000 2.260 295 W HA -0.168 4.492 4.660 -0.000 0.000 0.326 295 W C 1.652 178.145 176.519 -0.044 0.000 1.229 295 W CA 1.977 59.218 57.345 -0.173 0.000 1.190 295 W CB -0.757 28.578 29.460 -0.207 0.000 1.177 295 W HN 0.225 nan 8.180 nan 0.000 0.457 296 Q N -1.917 117.906 119.800 0.039 0.000 2.404 296 Q HA 0.212 4.552 4.340 -0.000 0.000 0.262 296 Q C 1.064 177.019 176.000 -0.075 0.000 0.846 296 Q CA 0.451 56.149 55.803 -0.174 0.000 0.978 296 Q CB 0.158 28.581 28.738 -0.525 0.000 1.156 296 Q HN 0.161 nan 8.270 nan 0.000 0.548 297 G N 0.660 109.464 108.800 0.007 0.000 2.334 297 G HA2 0.129 4.089 3.960 -0.000 0.000 0.261 297 G HA3 0.129 4.089 3.960 -0.000 0.000 0.261 297 G C 0.090 175.048 174.900 0.097 0.000 1.257 297 G CA -0.098 45.019 45.100 0.028 0.000 0.935 297 G HN 0.040 nan 8.290 nan 0.000 0.480 298 S N 1.604 117.359 115.700 0.092 0.000 2.572 298 S HA 0.109 4.578 4.470 -0.000 0.000 0.228 298 S C 0.550 175.195 174.600 0.074 0.000 0.963 298 S CA -0.572 57.686 58.200 0.097 0.000 0.939 298 S CB -0.252 63.007 63.200 0.099 0.000 0.804 298 S HN 0.835 nan 8.310 nan 0.000 0.480 299 N N 1.048 119.811 118.700 0.104 0.000 2.272 299 N HA 0.351 5.090 4.740 -0.000 0.000 0.305 299 N C -0.947 174.702 175.510 0.232 0.000 1.103 299 N CA -0.766 52.347 53.050 0.104 0.000 0.791 299 N CB 0.857 39.396 38.487 0.086 0.000 1.356 299 N HN -0.008 nan 8.380 nan 0.000 0.486 300 R N 0.433 121.052 120.500 0.198 0.000 2.490 300 R HA 0.432 4.772 4.340 -0.000 0.000 0.278 300 R C -2.114 174.310 176.300 0.207 0.000 1.069 300 R CA -1.384 54.837 56.100 0.202 0.000 1.080 300 R CB 0.692 31.043 30.300 0.085 0.000 1.030 300 R HN 0.504 nan 8.270 nan 0.000 0.491 301 P HA 0.191 nan 4.420 nan 0.000 0.278 301 P C -0.821 176.406 177.300 -0.122 0.000 1.258 301 P CA -0.370 62.549 63.100 -0.303 0.000 0.811 301 P CB 1.151 32.629 31.700 -0.371 0.000 1.063 302 V N 2.487 122.321 119.914 -0.133 0.000 2.686 302 V HA 0.408 4.527 4.120 -0.000 0.000 0.306 302 V C 0.091 176.160 176.094 -0.042 0.000 1.065 302 V CA -0.481 61.788 62.300 -0.051 0.000 0.894 302 V CB 1.865 33.683 31.823 -0.009 0.000 1.004 302 V HN 0.379 nan 8.190 nan 0.000 0.424 303 I N 4.521 125.077 120.570 -0.024 0.000 2.389 303 I HA 0.563 4.732 4.170 -0.000 0.000 0.288 303 I C -0.055 176.064 176.117 0.003 0.000 0.999 303 I CA -0.562 60.748 61.300 0.016 0.000 1.129 303 I CB 1.794 39.796 38.000 0.002 0.000 1.288 303 I HN 0.426 nan 8.210 nan 0.000 0.444 304 R N 6.960 127.478 120.500 0.030 0.000 2.288 304 R HA 0.608 4.948 4.340 -0.000 0.000 0.326 304 R C -0.928 175.407 176.300 0.059 0.000 0.959 304 R CA -0.610 55.493 56.100 0.005 0.000 0.834 304 R CB 1.546 31.843 30.300 -0.005 0.000 1.157 304 R HN 0.553 nan 8.270 nan 0.000 0.470 305 I N 1.644 122.246 120.570 0.053 0.000 2.359 305 I HA 0.145 4.315 4.170 -0.000 0.000 0.294 305 I C -0.022 176.151 176.117 0.094 0.000 0.987 305 I CA -0.647 60.728 61.300 0.126 0.000 1.225 305 I CB 1.547 39.606 38.000 0.098 0.000 1.366 305 I HN 0.406 nan 8.210 nan 0.000 0.466 306 D N 8.795 129.264 120.400 0.116 0.000 2.467 306 D HA 0.222 4.862 4.640 -0.000 0.000 0.220 306 D C -1.381 174.972 176.300 0.089 0.000 1.103 306 D CA -2.339 51.695 54.000 0.057 0.000 0.886 306 D CB 1.177 41.987 40.800 0.016 0.000 1.025 306 D HN 0.229 nan 8.370 nan 0.000 0.514 307 P HA -0.191 nan 4.420 nan 0.000 0.223 307 P C 1.239 178.600 177.300 0.101 0.000 1.144 307 P CA 0.585 63.780 63.100 0.159 0.000 0.783 307 P CB 0.431 32.235 31.700 0.173 0.000 0.771 308 V N -0.497 119.462 119.914 0.076 0.000 2.575 308 V HA 0.210 4.330 4.120 -0.000 0.000 0.242 308 V C 2.296 178.374 176.094 -0.026 0.000 1.045 308 V CA 1.561 63.893 62.300 0.054 0.000 1.065 308 V CB -0.899 30.988 31.823 0.106 0.000 0.717 308 V HN 0.085 nan 8.190 nan 0.000 0.467 309 A N -0.725 122.068 122.820 -0.045 0.000 2.123 309 A HA 0.299 4.619 4.320 -0.000 0.000 0.214 309 A C 1.474 178.955 177.584 -0.172 0.000 1.152 309 A CA 0.836 52.822 52.037 -0.086 0.000 0.728 309 A CB -0.558 18.404 19.000 -0.065 0.000 0.814 309 A HN 0.745 nan 8.150 nan 0.000 0.464 310 M N -0.020 119.444 119.600 -0.227 0.000 2.620 310 M HA -0.143 4.337 4.480 -0.000 0.000 0.208 310 M C -0.153 175.897 176.300 -0.417 0.000 0.468 310 M CA 0.857 55.817 55.300 -0.567 0.000 0.603 310 M CB -2.327 29.784 32.600 -0.814 0.000 2.246 310 M HN 0.584 nan 8.290 nan 0.000 0.753 311 T N -2.342 112.155 114.554 -0.095 0.000 2.907 311 T HA 0.859 5.209 4.350 -0.000 0.000 0.292 311 T C -0.452 174.328 174.700 0.134 0.000 1.043 311 T CA -0.778 61.331 62.100 0.015 0.000 1.003 311 T CB 2.487 71.313 68.868 -0.071 0.000 1.084 311 T HN 0.449 nan 8.240 nan 0.000 0.483 312 H N -0.252 118.864 119.070 0.076 0.000 2.949 312 H HA 0.851 5.407 4.556 -0.000 0.000 0.310 312 H C -1.310 174.031 175.328 0.022 0.000 1.405 312 H CA -0.820 55.264 56.048 0.059 0.000 1.253 312 H CB 1.796 31.606 29.762 0.080 0.000 1.932 312 H HN 0.859 nan 8.280 nan 0.000 0.602 313 T N -0.253 114.220 114.554 -0.134 0.000 2.749 313 T HA 0.472 4.822 4.350 -0.000 0.000 0.310 313 T C -1.594 173.140 174.700 0.056 0.000 1.496 313 T CA -0.088 61.916 62.100 -0.160 0.000 1.006 313 T CB 0.998 69.795 68.868 -0.118 0.000 1.457 313 T HN 1.084 nan 8.240 nan 0.000 0.497 314 S N 1.723 117.437 115.700 0.022 0.000 2.564 314 S HA 0.844 5.314 4.470 -0.000 0.000 0.274 314 S C -1.243 173.334 174.600 -0.038 0.000 1.124 314 S CA -0.498 57.705 58.200 0.006 0.000 0.869 314 S CB 2.314 65.523 63.200 0.016 0.000 1.105 314 S HN 1.045 nan 8.310 nan 0.000 0.472 315 Q N 0.539 120.287 119.800 -0.087 0.000 2.782 315 Q HA 0.409 4.748 4.340 -0.000 0.000 0.308 315 Q C -2.058 173.862 176.000 -0.133 0.000 0.883 315 Q CA -0.721 55.047 55.803 -0.058 0.000 0.755 315 Q CB 1.230 29.982 28.738 0.024 0.000 1.454 315 Q HN 0.801 nan 8.270 nan 0.000 0.452 316 Y N 0.071 120.399 120.300 0.046 0.000 2.457 316 Y HA 0.483 5.033 4.550 -0.000 0.000 0.333 316 Y C 0.227 176.152 175.900 0.040 0.000 1.119 316 Y CA -0.686 57.443 58.100 0.047 0.000 1.143 316 Y CB 1.321 39.813 38.460 0.053 0.000 1.230 316 Y HN 0.432 nan 8.280 nan 0.000 0.469 317 I N 2.231 122.927 120.570 0.211 0.000 2.494 317 I HA -0.088 4.082 4.170 -0.000 0.000 0.289 317 I C 0.570 176.750 176.117 0.106 0.000 1.106 317 I CA 0.047 61.419 61.300 0.120 0.000 1.369 317 I CB 0.214 38.262 38.000 0.080 0.000 1.410 317 I HN 0.831 nan 8.210 nan 0.000 0.523 318 c N 3.277 121.928 118.600 0.085 0.000 2.403 318 c HA -0.140 4.430 4.570 -0.000 0.000 0.282 318 c C 1.894 175.998 174.090 0.023 0.000 1.297 318 c CA 0.438 56.803 56.329 0.061 0.000 1.785 318 c CB -1.084 41.456 42.510 0.049 0.000 1.963 318 c HN 0.860 nan 8.230 nan 0.000 0.507 319 S N 1.249 116.952 115.700 0.004 0.000 2.558 319 S HA 0.022 4.492 4.470 -0.000 0.000 0.291 319 S C -0.673 173.879 174.600 -0.079 0.000 1.306 319 S CA -0.586 57.594 58.200 -0.033 0.000 1.056 319 S CB 0.761 63.937 63.200 -0.041 0.000 0.836 319 S HN 0.378 nan 8.310 nan 0.000 0.504 320 P HA 0.044 nan 4.420 nan 0.000 0.236 320 P C 0.180 177.360 177.300 -0.199 0.000 1.177 320 P CA 0.335 63.330 63.100 -0.175 0.000 0.773 320 P CB 0.024 31.651 31.700 -0.122 0.000 0.878 321 V N 3.186 123.016 119.914 -0.141 0.000 2.242 321 V HA -0.003 4.117 4.120 -0.000 0.000 0.242 321 V C 1.058 177.069 176.094 -0.137 0.000 1.240 321 V CA 0.023 62.245 62.300 -0.131 0.000 1.211 321 V CB -1.410 30.348 31.823 -0.108 0.000 1.338 321 V HN 0.001 nan 8.190 nan 0.000 0.499 322 L N 4.072 125.193 121.223 -0.170 0.000 2.514 322 L HA 0.170 4.510 4.340 -0.000 0.000 0.280 322 L C 1.374 178.179 176.870 -0.108 0.000 1.223 322 L CA 0.479 55.231 54.840 -0.146 0.000 0.864 322 L CB 0.202 42.158 42.059 -0.172 0.000 1.118 322 L HN 0.661 nan 8.230 nan 0.000 0.494 323 T N -4.194 110.313 114.554 -0.078 0.000 3.111 323 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 323 T C 0.257 174.930 174.700 -0.045 0.000 0.983 323 T CA -0.538 61.511 62.100 -0.086 0.000 0.900 323 T CB 0.196 68.995 68.868 -0.116 0.000 1.132 323 T HN 0.464 nan 8.240 nan 0.000 0.531 324 D N 2.069 122.464 120.400 -0.008 0.000 2.451 324 D HA 0.350 4.990 4.640 -0.000 0.000 0.259 324 D C -0.437 175.878 176.300 0.025 0.000 1.201 324 D CA -0.364 53.651 54.000 0.025 0.000 1.028 324 D CB 0.895 41.731 40.800 0.060 0.000 1.095 324 D HN 0.316 nan 8.370 nan 0.000 0.539 325 N N 0.488 119.220 118.700 0.053 0.000 2.578 325 N HA 0.174 4.914 4.740 -0.000 0.000 0.282 325 N C -3.026 172.531 175.510 0.078 0.000 1.119 325 N CA -1.131 51.954 53.050 0.059 0.000 0.948 325 N CB 2.402 40.931 38.487 0.070 0.000 1.546 325 N HN 0.089 nan 8.380 nan 0.000 0.525 326 P HA 0.179 nan 4.420 nan 0.000 0.271 326 P C -0.938 176.387 177.300 0.043 0.000 1.218 326 P CA 0.080 63.211 63.100 0.050 0.000 0.780 326 P CB 1.060 32.789 31.700 0.048 0.000 0.901 327 R N 0.942 121.458 120.500 0.028 0.000 2.710 327 R HA 0.704 5.044 4.340 -0.000 0.000 0.270 327 R C -3.186 173.121 176.300 0.012 0.000 1.021 327 R CA -2.319 53.794 56.100 0.021 0.000 0.889 327 R CB 0.418 30.718 30.300 -0.001 0.000 1.243 327 R HN 0.114 nan 8.270 nan 0.000 0.464 328 P HA 0.109 nan 4.420 nan 0.000 0.274 328 P C -0.844 176.442 177.300 -0.023 0.000 1.256 328 P CA -0.591 62.519 63.100 0.017 0.000 0.795 328 P CB 0.494 32.234 31.700 0.066 0.000 1.038 329 N N 0.997 119.683 118.700 -0.023 0.000 2.525 329 N HA 0.046 4.785 4.740 -0.000 0.000 0.271 329 N C -0.505 174.957 175.510 -0.080 0.000 1.194 329 N CA 0.094 53.117 53.050 -0.044 0.000 0.964 329 N CB -0.128 38.341 38.487 -0.029 0.000 1.126 329 N HN 0.338 nan 8.380 nan 0.000 0.452 330 D N 2.390 122.731 120.400 -0.097 0.000 2.570 330 D HA 0.026 4.666 4.640 -0.000 0.000 0.243 330 D C -1.551 174.674 176.300 -0.126 0.000 1.171 330 D CA -0.142 53.777 54.000 -0.135 0.000 0.879 330 D CB 0.246 40.978 40.800 -0.114 0.000 1.143 330 D HN 0.322 nan 8.370 nan 0.000 0.511 331 P HA 0.167 nan 4.420 nan 0.000 0.293 331 P C 0.423 177.667 177.300 -0.094 0.000 1.304 331 P CA -0.372 62.657 63.100 -0.118 0.000 0.767 331 P CB 0.671 32.282 31.700 -0.149 0.000 1.247 332 T N -3.591 110.935 114.554 -0.047 0.000 3.044 332 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 332 T C 0.874 175.556 174.700 -0.030 0.000 1.081 332 T CA 0.073 62.150 62.100 -0.039 0.000 1.040 332 T CB -0.353 68.501 68.868 -0.023 0.000 0.962 332 T HN 0.444 nan 8.240 nan 0.000 0.506 336 K N -0.629 119.879 120.400 0.180 0.000 2.426 336 K HA 0.483 4.803 4.320 -0.000 0.000 0.254 336 K C -0.104 176.533 176.600 0.061 0.000 0.936 336 K CA -0.818 55.521 56.287 0.086 0.000 0.801 336 K CB 2.076 34.581 32.500 0.009 0.000 1.139 336 K HN 0.437 nan 8.250 nan 0.000 0.424 337 c N 1.554 120.192 118.600 0.064 0.000 2.527 337 c HA 0.053 4.622 4.570 -0.000 0.000 0.280 337 c C 1.113 175.318 174.090 0.192 0.000 1.353 337 c CA 0.152 56.549 56.329 0.113 0.000 1.749 337 c CB -0.735 41.826 42.510 0.085 0.000 2.088 337 c HN 0.880 nan 8.230 nan 0.000 0.508 338 N N 0.153 118.941 118.700 0.147 0.000 2.238 338 N HA 0.137 4.877 4.740 -0.000 0.000 0.235 338 N C -1.255 174.386 175.510 0.220 0.000 1.209 338 N CA 0.089 53.286 53.050 0.245 0.000 0.879 338 N CB 0.508 39.077 38.487 0.137 0.000 1.136 338 N HN 0.508 nan 8.380 nan 0.000 0.517 339 D N 0.212 120.566 120.400 -0.077 0.000 2.756 339 D HA 0.248 4.888 4.640 -0.000 0.000 0.226 339 D C -2.870 172.900 176.300 -0.884 0.000 1.186 339 D CA -1.398 52.419 54.000 -0.305 0.000 0.845 339 D CB 2.320 42.997 40.800 -0.205 0.000 1.610 339 D HN -0.207 nan 8.370 nan 0.000 0.465 340 P HA -0.049 nan 4.420 nan 0.000 0.266 340 P C -0.795 176.218 177.300 -0.478 0.000 1.195 340 P CA 0.178 62.843 63.100 -0.725 0.000 0.768 340 P CB 0.206 31.703 31.700 -0.339 0.000 0.838 341 Y N 5.594 125.683 120.300 -0.352 0.000 2.452 341 Y HA 0.232 4.782 4.550 -0.000 0.000 0.348 341 Y C -1.820 173.987 175.900 -0.154 0.000 0.985 341 Y CA -2.398 55.572 58.100 -0.216 0.000 1.214 341 Y CB 0.264 38.631 38.460 -0.155 0.000 1.136 341 Y HN 0.331 nan 8.280 nan 0.000 0.523 342 P HA 0.155 nan 4.420 nan 0.000 0.266 342 P C 0.290 177.554 177.300 -0.060 0.000 1.195 342 P CA 1.272 64.213 63.100 -0.264 0.000 0.768 342 P CB 1.562 33.050 31.700 -0.353 0.000 0.838 343 G N 3.069 111.854 108.800 -0.024 0.000 4.386 343 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.185 343 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.185 343 G C -0.453 174.459 174.900 0.020 0.000 1.725 343 G CA -0.352 44.766 45.100 0.030 0.000 0.941 343 G HN 0.574 nan 8.290 nan 0.000 0.315 344 N N 0.932 119.649 118.700 0.028 0.000 2.238 344 N HA 0.589 5.329 4.740 -0.000 0.000 0.302 344 N C -1.225 174.305 175.510 0.033 0.000 1.072 344 N CA -0.723 52.345 53.050 0.030 0.000 0.792 344 N CB 1.799 40.309 38.487 0.039 0.000 1.425 344 N HN 0.317 nan 8.380 nan 0.000 0.478 345 N N 0.525 119.250 118.700 0.041 0.000 2.457 345 N HA 0.304 5.043 4.740 -0.000 0.000 0.290 345 N C -0.836 174.727 175.510 0.088 0.000 1.232 345 N CA -0.692 52.399 53.050 0.067 0.000 0.852 345 N CB 1.198 39.728 38.487 0.073 0.000 1.313 345 N HN 0.569 nan 8.380 nan 0.000 0.522 346 N N 0.171 118.948 118.700 0.128 0.000 2.702 346 N HA -0.248 4.491 4.740 -0.000 0.000 0.255 346 N C -1.264 174.290 175.510 0.074 0.000 0.983 346 N CA 0.688 53.795 53.050 0.096 0.000 0.768 346 N CB -0.740 37.791 38.487 0.072 0.000 0.918 346 N HN 0.508 nan 8.380 nan 0.000 0.540 347 N N -1.527 117.225 118.700 0.088 0.000 3.043 347 N HA 0.764 5.504 4.740 -0.000 0.000 0.243 347 N C -0.395 175.175 175.510 0.100 0.000 1.347 347 N CA 0.280 53.382 53.050 0.086 0.000 0.896 347 N CB 1.567 40.095 38.487 0.069 0.000 1.501 347 N HN 0.245 nan 8.380 nan 0.000 0.504 348 G N -0.721 108.145 108.800 0.109 0.000 2.392 348 G HA2 0.519 4.479 3.960 -0.000 0.000 0.260 348 G HA3 0.519 4.479 3.960 -0.000 0.000 0.260 348 G C -1.941 173.040 174.900 0.135 0.000 1.226 348 G CA 0.281 45.449 45.100 0.112 0.000 0.913 348 G HN 1.144 nan 8.290 nan 0.000 0.483 349 V N -0.495 119.490 119.914 0.119 0.000 3.236 349 V HA 0.677 4.797 4.120 -0.000 0.000 0.287 349 V C -1.168 174.918 176.094 -0.013 0.000 1.491 349 V CA -0.495 61.891 62.300 0.142 0.000 1.037 349 V CB 2.026 33.981 31.823 0.220 0.000 1.160 349 V HN 1.127 nan 8.190 nan 0.000 0.453 350 K N 3.001 123.234 120.400 -0.277 0.000 2.349 350 K HA 0.680 5.000 4.320 -0.000 0.000 0.288 350 K C -0.116 176.427 176.600 -0.095 0.000 1.058 350 K CA 0.653 56.748 56.287 -0.319 0.000 0.953 350 K CB 0.750 32.820 32.500 -0.716 0.000 0.997 350 K HN 1.109 nan 8.250 nan 0.000 0.477 351 G N 3.095 111.885 108.800 -0.017 0.000 2.694 351 G HA2 0.630 4.590 3.960 -0.000 0.000 0.290 351 G HA3 0.630 4.590 3.960 -0.000 0.000 0.290 351 G C -1.420 173.526 174.900 0.077 0.000 1.386 351 G CA -1.001 44.126 45.100 0.045 0.000 0.872 351 G HN 0.623 nan 8.290 nan 0.000 0.475 352 F N -0.733 119.173 119.950 -0.073 0.000 2.782 352 F HA 0.912 5.439 4.527 -0.000 0.000 0.366 352 F C -0.072 175.655 175.800 -0.121 0.000 1.171 352 F CA -1.141 56.797 58.000 -0.103 0.000 1.064 352 F CB 1.812 40.723 39.000 -0.148 0.000 1.449 352 F HN 0.998 nan 8.300 nan 0.000 0.520 353 S N -0.957 114.633 115.700 -0.182 0.000 2.614 353 S HA 0.445 4.915 4.470 -0.000 0.000 0.280 353 S C -2.357 172.216 174.600 -0.044 0.000 1.111 353 S CA -0.900 57.168 58.200 -0.220 0.000 0.847 353 S CB 0.460 63.583 63.200 -0.128 0.000 1.079 353 S HN 0.737 nan 8.310 nan 0.000 0.452 354 Y N 1.445 121.917 120.300 0.288 0.000 2.478 354 Y HA 0.522 5.072 4.550 -0.000 0.000 0.329 354 Y C -0.236 175.837 175.900 0.288 0.000 0.967 354 Y CA -0.888 57.342 58.100 0.217 0.000 1.255 354 Y CB 1.125 39.630 38.460 0.075 0.000 1.103 354 Y HN 0.600 nan 8.280 nan 0.000 0.497 355 L N 4.090 125.611 121.223 0.498 0.000 2.282 355 L HA 0.322 4.662 4.340 -0.000 0.000 0.287 355 L C -0.041 177.024 176.870 0.325 0.000 1.075 355 L CA 0.085 55.125 54.840 0.333 0.000 0.839 355 L CB 0.504 42.709 42.059 0.243 0.000 1.219 355 L HN 0.525 nan 8.230 nan 0.000 0.434 356 D N 2.347 122.904 120.400 0.262 0.000 2.952 356 D HA 0.363 5.002 4.640 -0.000 0.000 0.373 356 D C 0.769 177.156 176.300 0.145 0.000 1.360 356 D CA 0.716 54.840 54.000 0.206 0.000 0.788 356 D CB 0.606 41.526 40.800 0.201 0.000 1.192 356 D HN 0.602 nan 8.370 nan 0.000 0.462 357 G N -0.311 108.564 108.800 0.125 0.000 2.557 357 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.292 357 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.292 357 G C 1.172 176.123 174.900 0.085 0.000 1.162 357 G CA 0.178 45.331 45.100 0.089 0.000 0.964 357 G HN 0.400 nan 8.290 nan 0.000 0.541 358 V N 1.689 121.648 119.914 0.074 0.000 2.809 358 V HA 0.045 4.165 4.120 -0.000 0.000 0.256 358 V C 1.687 177.844 176.094 0.105 0.000 1.080 358 V CA 2.024 64.364 62.300 0.068 0.000 1.102 358 V CB -0.392 31.466 31.823 0.057 0.000 0.705 358 V HN 0.595 nan 8.190 nan 0.000 0.475 359 N N 1.135 119.917 118.700 0.137 0.000 3.259 359 N HA 0.033 4.773 4.740 -0.000 0.000 0.308 359 N C -0.391 175.300 175.510 0.300 0.000 1.334 359 N CA 0.152 53.326 53.050 0.206 0.000 1.202 359 N CB -0.210 38.358 38.487 0.135 0.000 1.485 359 N HN 0.329 nan 8.380 nan 0.000 0.549 360 T N 0.334 115.054 114.554 0.276 0.000 2.786 360 T HA 0.353 4.703 4.350 -0.000 0.000 0.283 360 T C -1.014 173.855 174.700 0.282 0.000 0.992 360 T CA -0.387 61.890 62.100 0.295 0.000 0.954 360 T CB 0.564 69.526 68.868 0.157 0.000 0.934 360 T HN 0.175 nan 8.240 nan 0.000 0.440 361 W N 3.206 124.637 121.300 0.218 0.000 2.683 361 W HA 0.645 5.305 4.660 -0.000 0.000 0.329 361 W C -0.890 175.671 176.519 0.069 0.000 1.037 361 W CA -0.932 56.545 57.345 0.220 0.000 1.232 361 W CB 1.113 30.857 29.460 0.473 0.000 1.390 361 W HN 0.413 nan 8.180 nan 0.000 0.465 362 L N 3.081 124.372 121.223 0.114 0.000 2.331 362 L HA 0.937 5.277 4.340 -0.000 0.000 0.275 362 L C 0.689 177.415 176.870 -0.239 0.000 1.022 362 L CA -1.127 53.648 54.840 -0.108 0.000 0.812 362 L CB 1.188 43.179 42.059 -0.113 0.000 1.257 362 L HN 0.539 nan 8.230 nan 0.000 0.435 363 G N 1.679 110.174 108.800 -0.508 0.000 2.415 363 G HA2 0.756 4.716 3.960 -0.000 0.000 0.327 363 G HA3 0.756 4.716 3.960 -0.000 0.000 0.327 363 G C -1.038 173.545 174.900 -0.528 0.000 1.182 363 G CA -0.520 44.237 45.100 -0.571 0.000 0.924 363 G HN 0.751 nan 8.290 nan 0.000 0.470 364 R N -0.171 119.851 120.500 -0.796 0.000 2.734 364 R HA 0.634 4.973 4.340 -0.000 0.000 0.271 364 R C -0.691 175.168 176.300 -0.736 0.000 1.021 364 R CA -0.769 54.984 56.100 -0.577 0.000 0.893 364 R CB 0.705 30.814 30.300 -0.318 0.000 1.244 364 R HN 0.590 nan 8.270 nan 0.000 0.464 365 T N -0.528 113.849 114.554 -0.294 0.000 2.897 365 T HA 0.292 4.642 4.350 -0.000 0.000 0.294 365 T C 1.691 176.319 174.700 -0.120 0.000 1.004 365 T CA -0.847 61.182 62.100 -0.119 0.000 1.106 365 T CB 0.715 69.610 68.868 0.044 0.000 0.949 365 T HN 0.555 nan 8.240 nan 0.000 0.520 366 I N 1.257 121.780 120.570 -0.079 0.000 2.226 366 I HA -0.100 4.070 4.170 -0.000 0.000 0.245 366 I C 1.930 178.021 176.117 -0.043 0.000 1.100 366 I CA 0.993 62.254 61.300 -0.066 0.000 1.374 366 I CB -0.383 37.592 38.000 -0.042 0.000 1.057 366 I HN 0.790 nan 8.210 nan 0.000 0.413 367 S N 1.425 117.115 115.700 -0.016 0.000 2.584 367 S HA 0.192 4.662 4.470 -0.000 0.000 0.273 367 S C 1.004 175.607 174.600 0.005 0.000 1.311 367 S CA -0.758 57.442 58.200 -0.000 0.000 1.034 367 S CB 1.471 64.685 63.200 0.023 0.000 0.939 367 S HN 0.351 nan 8.310 nan 0.000 0.513 368 I N 1.022 121.594 120.570 0.003 0.000 3.419 368 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 368 I C 1.568 177.700 176.117 0.025 0.000 1.268 368 I CA 0.684 61.987 61.300 0.005 0.000 1.414 368 I CB -0.376 37.622 38.000 -0.004 0.000 1.074 368 I HN 0.618 nan 8.210 nan 0.000 0.457 369 A N 1.088 123.929 122.820 0.036 0.000 1.956 369 A HA 0.286 4.606 4.320 -0.000 0.000 0.212 369 A C 1.277 178.903 177.584 0.070 0.000 1.188 369 A CA 0.888 52.954 52.037 0.048 0.000 0.675 369 A CB -0.219 18.807 19.000 0.044 0.000 0.845 369 A HN 0.619 nan 8.150 nan 0.000 0.455 370 S N -1.672 114.087 115.700 0.099 0.000 2.776 370 S HA 0.523 4.993 4.470 -0.000 0.000 0.292 370 S C -0.702 173.999 174.600 0.169 0.000 1.187 370 S CA -0.897 57.384 58.200 0.135 0.000 0.834 370 S CB 0.658 63.970 63.200 0.186 0.000 1.199 370 S HN 0.217 nan 8.310 nan 0.000 0.514 371 R N 1.888 122.512 120.500 0.206 0.000 4.164 371 R HA 0.327 4.667 4.340 -0.000 0.000 0.195 371 R C -0.194 176.303 176.300 0.329 0.000 1.712 371 R CA -0.034 56.207 56.100 0.236 0.000 1.457 371 R CB -0.573 29.849 30.300 0.203 0.000 1.387 371 R HN 0.722 nan 8.270 nan 0.000 0.785 372 S N -0.889 114.959 115.700 0.247 0.000 2.542 372 S HA 0.797 5.267 4.470 -0.000 0.000 0.293 372 S C 0.233 174.881 174.600 0.080 0.000 1.089 372 S CA -0.279 58.014 58.200 0.154 0.000 0.961 372 S CB 2.608 65.791 63.200 -0.028 0.000 1.062 372 S HN 0.631 nan 8.310 nan 0.000 0.483 373 G N 0.359 109.195 108.800 0.060 0.000 2.814 373 G HA2 0.093 4.053 3.960 -0.000 0.000 0.677 373 G HA3 0.093 4.053 3.960 -0.000 0.000 0.677 373 G C -1.256 173.747 174.900 0.172 0.000 1.429 373 G CA -0.329 44.813 45.100 0.070 0.000 0.868 373 G HN 1.751 nan 8.290 nan 0.000 0.553 374 Y N 0.615 120.945 120.300 0.049 0.000 2.282 374 Y HA 0.480 5.030 4.550 -0.000 0.000 0.317 374 Y C -0.243 175.692 175.900 0.058 0.000 1.236 374 Y CA -0.135 57.998 58.100 0.055 0.000 1.134 374 Y CB 1.094 39.611 38.460 0.096 0.000 1.267 374 Y HN 1.020 nan 8.280 nan 0.000 0.410 375 E N 5.017 124.957 120.200 -0.434 0.000 2.299 375 E HA 0.695 5.045 4.350 -0.000 0.000 0.265 375 E C -1.435 175.027 176.600 -0.230 0.000 0.911 375 E CA -1.344 54.958 56.400 -0.164 0.000 0.789 375 E CB 2.482 32.126 29.700 -0.094 0.000 1.246 375 E HN 0.327 nan 8.360 nan 0.000 0.427 376 M N 2.579 122.199 119.600 0.034 0.000 2.134 376 M HA 0.397 4.877 4.480 -0.000 0.000 0.310 376 M C -1.241 175.247 176.300 0.313 0.000 0.966 376 M CA -0.612 54.783 55.300 0.159 0.000 0.922 376 M CB 0.846 33.584 32.600 0.230 0.000 1.537 376 M HN 0.589 nan 8.290 nan 0.000 0.424 377 L N 2.696 123.987 121.223 0.114 0.000 2.329 377 L HA 0.560 4.900 4.340 -0.000 0.000 0.279 377 L C 0.239 176.877 176.870 -0.387 0.000 1.014 377 L CA -0.661 54.112 54.840 -0.112 0.000 0.814 377 L CB 2.045 44.028 42.059 -0.126 0.000 1.257 377 L HN 0.575 nan 8.230 nan 0.000 0.424 378 K N 2.756 122.630 120.400 -0.877 0.000 2.268 378 K HA 0.445 4.765 4.320 -0.000 0.000 0.276 378 K C -1.235 175.076 176.600 -0.481 0.000 1.080 378 K CA -0.411 55.207 56.287 -1.116 0.000 0.910 378 K CB 0.929 32.494 32.500 -1.558 0.000 1.163 378 K HN 0.424 nan 8.250 nan 0.000 0.465 379 V N 7.543 127.286 119.914 -0.286 0.000 2.225 379 V HA 0.224 4.344 4.120 -0.000 0.000 0.264 379 V C -2.110 173.935 176.094 -0.081 0.000 1.067 379 V CA -1.924 60.286 62.300 -0.150 0.000 0.903 379 V CB 0.385 32.144 31.823 -0.107 0.000 1.136 379 V HN 0.828 nan 8.190 nan 0.000 0.456 380 P HA -0.057 nan 4.420 nan 0.000 0.259 380 P C 0.372 177.674 177.300 0.003 0.000 1.163 380 P CA 0.749 63.840 63.100 -0.016 0.000 0.760 380 P CB 0.237 31.928 31.700 -0.016 0.000 0.762 381 N N 0.845 119.563 118.700 0.030 0.000 2.725 381 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 381 N C 1.203 176.731 175.510 0.029 0.000 1.103 381 N CA 1.064 54.136 53.050 0.036 0.000 0.707 381 N CB -1.656 36.847 38.487 0.027 0.000 1.043 381 N HN 0.592 nan 8.380 nan 0.000 0.553 382 A N 0.271 123.107 122.820 0.027 0.000 1.948 382 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 382 A C 2.255 179.859 177.584 0.033 0.000 1.177 382 A CA 1.753 53.800 52.037 0.016 0.000 0.636 382 A CB -0.229 18.778 19.000 0.011 0.000 0.815 382 A HN 0.305 nan 8.150 nan 0.000 0.449 383 L N 0.184 121.439 121.223 0.054 0.000 2.056 383 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 383 L C 2.563 179.467 176.870 0.056 0.000 1.078 383 L CA 2.984 57.862 54.840 0.062 0.000 0.749 383 L CB -0.903 41.201 42.059 0.075 0.000 0.901 383 L HN 0.544 nan 8.230 nan 0.000 0.433 384 T N -4.197 110.386 114.554 0.048 0.000 3.044 384 T HA 0.045 4.395 4.350 -0.000 0.000 0.255 384 T C 0.741 175.460 174.700 0.032 0.000 1.073 384 T CA 0.050 62.175 62.100 0.041 0.000 1.125 384 T CB -0.265 68.626 68.868 0.037 0.000 0.908 384 T HN 0.219 nan 8.240 nan 0.000 0.480 385 D N 3.169 123.585 120.400 0.026 0.000 2.380 385 D HA 0.132 4.772 4.640 -0.000 0.000 0.230 385 D C 0.295 176.602 176.300 0.011 0.000 1.154 385 D CA -0.561 53.449 54.000 0.016 0.000 0.859 385 D CB 0.901 41.706 40.800 0.008 0.000 1.045 385 D HN 0.287 nan 8.370 nan 0.000 0.495 386 D N 2.672 123.081 120.400 0.014 0.000 2.338 386 D HA -0.080 4.560 4.640 -0.000 0.000 0.239 386 D C 0.183 176.481 176.300 -0.003 0.000 1.095 386 D CA 0.355 54.362 54.000 0.012 0.000 0.888 386 D CB 0.060 40.874 40.800 0.024 0.000 0.899 386 D HN 0.342 nan 8.370 nan 0.000 0.525 387 K N -0.190 120.205 120.400 -0.009 0.000 2.589 387 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 387 K C -0.235 176.350 176.600 -0.026 0.000 1.114 387 K CA -0.272 56.004 56.287 -0.018 0.000 1.070 387 K CB 1.105 33.598 32.500 -0.012 0.000 0.860 387 K HN 0.069 nan 8.250 nan 0.000 0.536 388 S N 1.291 116.975 115.700 -0.027 0.000 2.549 388 S HA 0.328 4.797 4.470 -0.000 0.000 0.279 388 S C -0.034 174.534 174.600 -0.053 0.000 1.321 388 S CA -0.469 57.711 58.200 -0.035 0.000 1.054 388 S CB 1.342 64.526 63.200 -0.027 0.000 0.899 388 S HN -0.021 nan 8.310 nan 0.000 0.497 389 K N 1.503 121.867 120.400 -0.059 0.000 2.444 389 K HA 0.561 4.881 4.320 -0.000 0.000 0.252 389 K C -3.089 173.459 176.600 -0.087 0.000 0.993 389 K CA -2.361 53.884 56.287 -0.070 0.000 0.847 389 K CB 1.298 33.763 32.500 -0.059 0.000 1.340 389 K HN 0.297 nan 8.250 nan 0.000 0.446 390 P HA 0.125 nan 4.420 nan 0.000 0.268 390 P C 0.047 177.281 177.300 -0.110 0.000 1.205 390 P CA 0.315 63.340 63.100 -0.126 0.000 0.771 390 P CB 0.604 32.237 31.700 -0.111 0.000 0.858 391 T N -0.028 114.441 114.554 -0.141 0.000 2.955 391 T HA 0.111 4.461 4.350 -0.000 0.000 0.251 391 T C 0.210 174.854 174.700 -0.093 0.000 1.002 391 T CA 0.344 62.383 62.100 -0.101 0.000 0.970 391 T CB 0.294 69.105 68.868 -0.094 0.000 1.091 391 T HN 0.434 nan 8.240 nan 0.000 0.495 395 Q N -0.429 119.639 119.800 0.446 0.000 2.364 395 Q HA 0.556 4.896 4.340 -0.000 0.000 0.251 395 Q C -1.202 175.006 176.000 0.347 0.000 0.927 395 Q CA -0.450 55.636 55.803 0.472 0.000 0.924 395 Q CB 1.675 30.835 28.738 0.702 0.000 1.419 395 Q HN 0.615 nan 8.270 nan 0.000 0.427 396 T N 5.006 119.733 114.554 0.289 0.000 2.856 396 T HA 0.338 4.688 4.350 -0.000 0.000 0.292 396 T C 0.466 175.352 174.700 0.310 0.000 0.980 396 T CA -0.162 62.079 62.100 0.235 0.000 1.091 396 T CB 0.660 69.633 68.868 0.175 0.000 0.936 396 T HN 0.555 nan 8.240 nan 0.000 0.503 397 I N 3.052 123.819 120.570 0.328 0.000 2.900 397 I HA 0.184 4.354 4.170 -0.000 0.000 0.251 397 I C 0.341 176.668 176.117 0.350 0.000 1.102 397 I CA 0.679 62.235 61.300 0.426 0.000 1.457 397 I CB 0.262 38.581 38.000 0.531 0.000 1.285 397 I HN 0.334 nan 8.210 nan 0.000 0.459 398 V N 2.382 122.471 119.914 0.290 0.000 2.540 398 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 398 V C -0.059 176.097 176.094 0.103 0.000 1.035 398 V CA -0.985 61.426 62.300 0.186 0.000 0.873 398 V CB 1.889 33.839 31.823 0.212 0.000 0.992 398 V HN 0.037 nan 8.190 nan 0.000 0.428 399 L N 3.648 124.887 121.223 0.026 0.000 2.476 399 L HA 0.220 4.559 4.340 -0.000 0.000 0.264 399 L C 1.838 178.679 176.870 -0.050 0.000 1.224 399 L CA -0.354 54.478 54.840 -0.013 0.000 0.821 399 L CB 0.406 42.437 42.059 -0.046 0.000 1.101 399 L HN 0.884 nan 8.230 nan 0.000 0.488 400 N N -0.096 118.567 118.700 -0.061 0.000 2.289 400 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 400 N C 1.306 176.705 175.510 -0.185 0.000 1.016 400 N CA 1.680 54.675 53.050 -0.092 0.000 0.872 400 N CB -0.896 37.549 38.487 -0.070 0.000 0.973 400 N HN 0.832 nan 8.380 nan 0.000 0.433 401 T N -3.377 111.060 114.554 -0.195 0.000 3.055 401 T HA 0.022 4.372 4.350 -0.000 0.000 0.265 401 T C 0.173 174.603 174.700 -0.449 0.000 1.111 401 T CA 0.272 62.199 62.100 -0.289 0.000 1.118 401 T CB -0.104 68.647 68.868 -0.196 0.000 0.909 401 T HN 0.102 nan 8.240 nan 0.000 0.501 402 D N 0.663 120.851 120.400 -0.353 0.000 2.192 402 D HA 0.229 4.868 4.640 -0.000 0.000 0.246 402 D C -0.763 175.348 176.300 -0.315 0.000 1.042 402 D CA -0.627 53.143 54.000 -0.383 0.000 0.847 402 D CB 1.084 41.790 40.800 -0.156 0.000 1.186 402 D HN 0.428 nan 8.370 nan 0.000 0.461 403 W N 1.872 123.196 121.300 0.039 0.000 2.264 403 W HA 0.065 4.725 4.660 -0.000 0.000 0.331 403 W C 1.540 178.103 176.519 0.073 0.000 1.364 403 W CA -0.288 57.085 57.345 0.046 0.000 1.253 403 W CB 0.451 29.926 29.460 0.025 0.000 1.215 403 W HN 0.323 nan 8.180 nan 0.000 0.561 404 S N 2.267 118.163 115.700 0.326 0.000 4.400 404 S HA 0.963 5.433 4.470 -0.000 0.000 0.209 404 S C 0.491 175.229 174.600 0.230 0.000 1.056 404 S CA -0.022 58.329 58.200 0.253 0.000 1.814 404 S CB 1.033 64.413 63.200 0.299 0.000 0.808 404 S HN 1.073 nan 8.310 nan 0.000 0.749 405 G N -0.415 108.526 108.800 0.235 0.000 2.292 405 G HA2 0.203 4.163 3.960 -0.000 0.000 0.194 405 G HA3 0.203 4.163 3.960 -0.000 0.000 0.194 405 G C -1.651 173.426 174.900 0.295 0.000 1.329 405 G CA -0.652 44.582 45.100 0.222 0.000 1.100 405 G HN 0.582 nan 8.290 nan 0.000 0.470 406 Y N 2.028 122.380 120.300 0.087 0.000 2.712 406 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 406 Y C 1.303 177.155 175.900 -0.080 0.000 1.225 406 Y CA -0.178 57.962 58.100 0.066 0.000 1.499 406 Y CB 0.680 39.215 38.460 0.126 0.000 1.288 406 Y HN 0.805 nan 8.280 nan 0.000 0.575 407 S N 1.269 116.955 115.700 -0.024 0.000 2.536 407 S HA 0.955 5.425 4.470 -0.000 0.000 0.287 407 S C -0.219 174.223 174.600 -0.263 0.000 1.101 407 S CA -0.432 57.573 58.200 -0.326 0.000 0.950 407 S CB 2.321 65.438 63.200 -0.139 0.000 1.056 407 S HN 0.907 nan 8.310 nan 0.000 0.481 408 G N 0.636 108.939 108.800 -0.828 0.000 2.766 408 G HA2 0.744 4.703 3.960 -0.000 0.000 0.288 408 G HA3 0.744 4.703 3.960 -0.000 0.000 0.288 408 G C -0.986 173.705 174.900 -0.348 0.000 1.408 408 G CA -0.632 44.365 45.100 -0.170 0.000 0.852 408 G HN 1.290 nan 8.290 nan 0.000 0.487 409 S N -1.164 114.506 115.700 -0.051 0.000 2.607 409 S HA 0.912 5.382 4.470 -0.000 0.000 0.303 409 S C -0.858 173.973 174.600 0.385 0.000 1.086 409 S CA -0.699 57.494 58.200 -0.011 0.000 0.995 409 S CB 1.858 64.998 63.200 -0.099 0.000 1.084 409 S HN 1.936 nan 8.310 nan 0.000 0.507 410 F N -1.452 118.573 119.950 0.125 0.000 2.769 410 F HA 0.741 5.267 4.527 -0.000 0.000 0.313 410 F C -1.269 174.571 175.800 0.067 0.000 1.146 410 F CA -1.145 56.916 58.000 0.102 0.000 0.934 410 F CB 0.453 39.501 39.000 0.080 0.000 1.283 410 F HN 0.714 nan 8.300 nan 0.000 0.443 411 M N -0.282 119.096 119.600 -0.370 0.000 2.911 411 M HA 0.261 4.741 4.480 -0.000 0.000 0.399 411 M C -0.665 175.489 176.300 -0.244 0.000 1.769 411 M CA -0.289 54.715 55.300 -0.493 0.000 0.983 411 M CB 1.003 33.391 32.600 -0.353 0.000 2.806 411 M HN 0.771 nan 8.290 nan 0.000 0.621 412 W N 0.602 121.893 121.300 -0.015 0.000 4.010 412 W HA -0.226 4.434 4.660 -0.000 0.000 0.299 412 W C 0.111 176.648 176.519 0.029 0.000 1.087 412 W CA 0.647 58.005 57.345 0.022 0.000 0.709 412 W CB -2.039 27.416 29.460 -0.008 0.000 2.117 412 W HN 0.654 nan 8.180 nan 0.000 1.569 413 A N 0.925 123.866 122.820 0.203 0.000 2.371 413 A HA 0.401 4.721 4.320 -0.000 0.000 0.257 413 A C 0.411 178.056 177.584 0.102 0.000 1.089 413 A CA -0.138 51.978 52.037 0.133 0.000 0.794 413 A CB 0.295 19.349 19.000 0.090 0.000 1.029 413 A HN 0.170 nan 8.150 nan 0.000 0.488 414 E N 0.470 120.715 120.200 0.075 0.000 2.366 414 E HA 0.473 4.823 4.350 -0.000 0.000 0.266 414 E C 0.446 177.064 176.600 0.030 0.000 1.015 414 E CA 0.923 57.353 56.400 0.050 0.000 0.906 414 E CB 0.425 30.148 29.700 0.037 0.000 0.979 414 E HN 1.153 nan 8.360 nan 0.000 0.443 415 G N 2.222 111.032 108.800 0.016 0.000 2.336 415 G HA2 0.173 4.133 3.960 -0.000 0.000 0.300 415 G HA3 0.173 4.133 3.960 -0.000 0.000 0.300 415 G C -0.517 174.360 174.900 -0.038 0.000 1.375 415 G CA -0.485 44.609 45.100 -0.010 0.000 0.885 415 G HN 0.469 nan 8.290 nan 0.000 0.599 416 E N -1.867 118.295 120.200 -0.062 0.000 2.474 416 E HA 0.379 4.729 4.350 -0.000 0.000 0.195 416 E C 0.916 177.426 176.600 -0.150 0.000 1.039 416 E CA 0.538 56.883 56.400 -0.092 0.000 0.881 416 E CB 0.010 29.666 29.700 -0.073 0.000 0.970 416 E HN 1.237 nan 8.360 nan 0.000 0.486 417 c N -1.541 116.963 118.600 -0.161 0.000 3.311 417 c HA 0.599 5.169 4.570 -0.000 0.000 0.325 417 c C -1.096 172.903 174.090 -0.151 0.000 1.352 417 c CA -1.569 54.619 56.329 -0.236 0.000 1.308 417 c CB 0.133 42.545 42.510 -0.164 0.000 1.619 417 c HN 0.120 nan 8.230 nan 0.000 0.469 418 Y N 0.695 120.928 120.300 -0.112 0.000 2.335 418 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 418 Y C 1.083 176.856 175.900 -0.212 0.000 1.094 418 Y CA -0.200 57.812 58.100 -0.147 0.000 1.253 418 Y CB 0.485 38.867 38.460 -0.129 0.000 1.203 418 Y HN 0.683 nan 8.280 nan 0.000 0.508 419 R N 2.813 123.280 120.500 -0.056 0.000 2.235 419 R HA 0.581 4.921 4.340 -0.000 0.000 0.338 419 R C -0.294 175.818 176.300 -0.313 0.000 1.087 419 R CA -0.491 55.493 56.100 -0.194 0.000 0.948 419 R CB 0.137 30.346 30.300 -0.151 0.000 1.099 419 R HN 0.857 nan 8.270 nan 0.000 0.483 420 A N 3.343 125.892 122.820 -0.450 0.000 2.483 420 A HA 0.271 4.590 4.320 -0.000 0.000 0.238 420 A C -0.332 177.073 177.584 -0.298 0.000 1.070 420 A CA -0.134 51.511 52.037 -0.654 0.000 0.770 420 A CB 0.299 18.397 19.000 -1.505 0.000 1.008 420 A HN 0.875 nan 8.150 nan 0.000 0.497 421 c N -0.322 118.139 118.600 -0.233 0.000 3.291 421 c HA 0.886 5.455 4.570 -0.000 0.000 0.316 421 c C -0.754 173.406 174.090 0.116 0.000 1.391 421 c CA -0.429 55.772 56.329 -0.214 0.000 1.394 421 c CB 1.198 43.095 42.510 -1.022 0.000 1.744 421 c HN 1.082 nan 8.230 nan 0.000 0.461 422 F N -0.321 119.703 119.950 0.123 0.000 2.779 422 F HA 0.869 5.396 4.527 -0.000 0.000 0.316 422 F C -1.341 174.573 175.800 0.191 0.000 1.164 422 F CA -1.133 56.838 58.000 -0.049 0.000 0.924 422 F CB 0.858 39.320 39.000 -0.898 0.000 1.348 422 F HN 0.707 nan 8.300 nan 0.000 0.467 423 Y N -0.841 119.498 120.300 0.065 0.000 2.638 423 Y HA 0.903 5.453 4.550 -0.000 0.000 0.339 423 Y C -2.053 173.887 175.900 0.067 0.000 1.084 423 Y CA -2.311 55.767 58.100 -0.036 0.000 1.068 423 Y CB 1.344 39.738 38.460 -0.109 0.000 1.294 423 Y HN 0.617 nan 8.280 nan 0.000 0.480 424 V N 1.275 121.152 119.914 -0.062 0.000 2.733 424 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 424 V C -0.804 175.294 176.094 0.005 0.000 1.084 424 V CA -0.997 61.178 62.300 -0.208 0.000 0.905 424 V CB 1.681 33.349 31.823 -0.259 0.000 1.010 424 V HN 0.870 nan 8.190 nan 0.000 0.424 425 E N 4.414 124.644 120.200 0.049 0.000 2.289 425 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 425 E C -1.389 175.272 176.600 0.102 0.000 1.032 425 E CA -0.459 56.021 56.400 0.133 0.000 0.854 425 E CB 0.951 30.762 29.700 0.184 0.000 1.046 425 E HN 0.601 nan 8.360 nan 0.000 0.409 426 L N 6.939 128.224 121.223 0.104 0.000 2.353 426 L HA 0.424 4.764 4.340 -0.000 0.000 0.270 426 L C -0.360 176.592 176.870 0.137 0.000 1.003 426 L CA -0.584 54.340 54.840 0.140 0.000 0.862 426 L CB 0.874 43.017 42.059 0.140 0.000 1.221 426 L HN 0.500 nan 8.230 nan 0.000 0.430 427 I N 3.308 123.960 120.570 0.136 0.000 2.472 427 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 427 I C 0.067 176.239 176.117 0.091 0.000 1.016 427 I CA -0.633 60.716 61.300 0.082 0.000 1.348 427 I CB 0.777 38.772 38.000 -0.007 0.000 1.417 427 I HN 0.500 nan 8.210 nan 0.000 0.521 428 R N 3.685 124.253 120.500 0.114 0.000 2.807 428 R HA 0.797 5.137 4.340 -0.000 0.000 0.276 428 R C 0.094 176.306 176.300 -0.148 0.000 0.979 428 R CA -0.548 55.602 56.100 0.084 0.000 0.928 428 R CB 1.446 31.956 30.300 0.350 0.000 1.191 428 R HN 0.940 nan 8.270 nan 0.000 0.471 429 G N 1.338 109.800 108.800 -0.563 0.000 2.545 429 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 429 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 429 G C -0.927 173.607 174.900 -0.610 0.000 1.314 429 G CA -0.833 43.722 45.100 -0.909 0.000 0.906 429 G HN 0.427 nan 8.290 nan 0.000 0.563 430 R N 0.596 120.767 120.500 -0.549 0.000 2.638 430 R HA 0.190 4.530 4.340 -0.000 0.000 0.268 430 R C -1.584 174.495 176.300 -0.368 0.000 1.006 430 R CA -0.221 55.624 56.100 -0.425 0.000 1.088 430 R CB -0.014 30.076 30.300 -0.349 0.000 0.950 430 R HN 0.333 nan 8.270 nan 0.000 0.419 431 P HA 0.100 nan 4.420 nan 0.000 0.245 431 P C 0.512 177.574 177.300 -0.396 0.000 1.199 431 P CA 0.347 63.245 63.100 -0.337 0.000 0.807 431 P CB 0.465 32.015 31.700 -0.250 0.000 1.002 432 K N 0.425 120.484 120.400 -0.568 0.000 2.217 432 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 432 K C 0.473 176.780 176.600 -0.488 0.000 1.051 432 K CA 0.927 56.804 56.287 -0.683 0.000 0.952 432 K CB -0.168 31.382 32.500 -1.583 0.000 0.736 432 K HN 0.390 nan 8.250 nan 0.000 0.453 433 E N 1.704 121.599 120.200 -0.507 0.000 2.916 433 E HA 0.034 4.384 4.350 -0.000 0.000 0.217 433 E C -0.667 175.668 176.600 -0.441 0.000 1.100 433 E CA -0.208 55.965 56.400 -0.378 0.000 0.891 433 E CB 0.558 30.043 29.700 -0.358 0.000 1.311 433 E HN 0.150 nan 8.360 nan 0.000 0.421 434 D N 0.830 120.998 120.400 -0.386 0.000 2.352 434 D HA -0.111 4.529 4.640 -0.000 0.000 0.232 434 D C 0.810 176.812 176.300 -0.497 0.000 1.055 434 D CA 0.237 53.961 54.000 -0.462 0.000 0.891 434 D CB 0.120 40.683 40.800 -0.395 0.000 0.897 434 D HN 0.109 nan 8.370 nan 0.000 0.529 435 K N 0.152 120.323 120.400 -0.382 0.000 2.569 435 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 435 K C -0.104 176.283 176.600 -0.354 0.000 1.026 435 K CA 0.080 56.186 56.287 -0.301 0.000 1.093 435 K CB 0.239 32.642 32.500 -0.162 0.000 0.849 435 K HN 0.237 nan 8.250 nan 0.000 0.509 436 V N -4.675 114.893 119.914 -0.578 0.000 3.012 436 V HA 0.296 4.416 4.120 -0.000 0.000 0.307 436 V C -0.663 174.957 176.094 -0.791 0.000 1.166 436 V CA -1.248 60.688 62.300 -0.607 0.000 0.974 436 V CB 1.039 32.327 31.823 -0.892 0.000 1.040 436 V HN 0.152 nan 8.190 nan 0.000 0.428 437 W N 1.443 122.561 121.300 -0.303 0.000 3.290 437 W HA 0.346 5.006 4.660 -0.000 0.000 0.287 437 W C 0.776 177.220 176.519 -0.125 0.000 1.288 437 W CA -0.363 56.876 57.345 -0.177 0.000 1.725 437 W CB 0.252 29.683 29.460 -0.048 0.000 1.103 437 W HN 0.802 nan 8.180 nan 0.000 0.670 438 W N 0.214 121.514 121.300 -0.000 0.000 2.497 438 W HA 0.761 5.421 4.660 -0.000 0.000 0.359 438 W C -0.751 175.686 176.519 -0.136 0.000 1.131 438 W CA -0.950 56.360 57.345 -0.057 0.000 1.280 438 W CB 0.337 29.749 29.460 -0.080 0.000 1.319 438 W HN -0.474 nan 8.180 nan 0.000 0.626 439 T N 1.643 116.386 114.554 0.314 0.000 2.886 439 T HA 0.492 4.842 4.350 -0.000 0.000 0.292 439 T C -1.038 173.846 174.700 0.306 0.000 1.012 439 T CA -0.314 61.892 62.100 0.176 0.000 0.982 439 T CB 2.095 70.950 68.868 -0.022 0.000 1.018 439 T HN 0.531 nan 8.240 nan 0.000 0.451 440 S N 1.483 117.359 115.700 0.293 0.000 2.703 440 S HA 0.699 5.169 4.470 -0.000 0.000 0.273 440 S C -1.898 172.754 174.600 0.086 0.000 1.178 440 S CA -0.840 57.422 58.200 0.102 0.000 0.838 440 S CB 1.263 64.404 63.200 -0.098 0.000 1.178 440 S HN 0.953 nan 8.310 nan 0.000 0.494 441 N N 0.086 118.799 118.700 0.021 0.000 2.853 441 N HA 0.574 5.314 4.740 -0.000 0.000 0.258 441 N C -1.515 174.011 175.510 0.027 0.000 1.444 441 N CA -0.440 52.636 53.050 0.044 0.000 0.837 441 N CB 1.554 40.064 38.487 0.040 0.000 1.489 441 N HN 0.512 nan 8.380 nan 0.000 0.529 442 S N -0.450 115.280 115.700 0.049 0.000 2.632 442 S HA 0.752 5.222 4.470 -0.000 0.000 0.289 442 S C -1.083 173.521 174.600 0.007 0.000 1.115 442 S CA -0.794 57.429 58.200 0.039 0.000 0.889 442 S CB 0.879 64.124 63.200 0.076 0.000 1.116 442 S HN 0.481 nan 8.310 nan 0.000 0.486 443 I N 2.015 122.543 120.570 -0.070 0.000 2.530 443 I HA 0.668 4.838 4.170 -0.000 0.000 0.297 443 I C -0.951 175.119 176.117 -0.078 0.000 1.011 443 I CA -0.967 60.229 61.300 -0.173 0.000 1.107 443 I CB 2.077 39.662 38.000 -0.692 0.000 1.285 443 I HN 0.385 nan 8.210 nan 0.000 0.436 444 V N 5.056 124.956 119.914 -0.024 0.000 2.567 444 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 444 V C -0.719 175.345 176.094 -0.050 0.000 1.047 444 V CA -0.074 62.219 62.300 -0.012 0.000 0.880 444 V CB 2.039 33.889 31.823 0.044 0.000 1.009 444 V HN 0.830 nan 8.190 nan 0.000 0.429 445 S N 8.210 123.880 115.700 -0.051 0.000 2.502 445 S HA 0.818 5.288 4.470 -0.000 0.000 0.304 445 S C -0.738 173.749 174.600 -0.189 0.000 1.097 445 S CA -0.856 57.312 58.200 -0.053 0.000 1.045 445 S CB 1.794 65.137 63.200 0.240 0.000 1.019 445 S HN 0.637 nan 8.310 nan 0.000 0.481 446 M N 2.152 121.385 119.600 -0.612 0.000 2.664 446 M HA 0.564 5.044 4.480 -0.000 0.000 0.314 446 M C -1.014 175.014 176.300 -0.455 0.000 1.200 446 M CA -0.437 54.480 55.300 -0.639 0.000 0.916 446 M CB 1.797 33.803 32.600 -0.989 0.000 1.717 446 M HN 0.828 nan 8.290 nan 0.000 0.470 447 c N 0.488 118.904 118.600 -0.307 0.000 2.797 447 c HA 0.528 5.098 4.570 -0.000 0.000 0.306 447 c C 0.293 174.340 174.090 -0.072 0.000 1.207 447 c CA -1.039 55.161 56.329 -0.216 0.000 1.507 447 c CB 2.017 44.231 42.510 -0.493 0.000 2.028 447 c HN 0.983 nan 8.230 nan 0.000 0.475 448 S N 1.642 117.254 115.700 -0.146 0.000 2.560 448 S HA 0.401 4.871 4.470 -0.000 0.000 0.284 448 S C -0.158 174.307 174.600 -0.226 0.000 1.327 448 S CA -0.143 57.733 58.200 -0.541 0.000 1.055 448 S CB 0.890 63.601 63.200 -0.815 0.000 0.868 448 S HN 0.935 nan 8.310 nan 0.000 0.506 449 S N 0.899 116.419 115.700 -0.299 0.000 2.568 449 S HA 0.558 5.028 4.470 -0.000 0.000 0.302 449 S C 1.011 175.405 174.600 -0.343 0.000 1.082 449 S CA -0.174 57.904 58.200 -0.203 0.000 1.009 449 S CB 1.342 64.476 63.200 -0.110 0.000 1.069 449 S HN 0.955 nan 8.310 nan 0.000 0.500 450 T N 0.125 114.508 114.554 -0.285 0.000 3.065 450 T HA 0.257 4.607 4.350 -0.000 0.000 0.252 450 T C 0.474 174.937 174.700 -0.396 0.000 1.099 450 T CA 0.082 61.988 62.100 -0.324 0.000 1.063 450 T CB -0.136 68.602 68.868 -0.217 0.000 0.948 450 T HN 0.513 nan 8.240 nan 0.000 0.506 451 E N 0.630 120.650 120.200 -0.301 0.000 2.318 451 E HA 0.472 4.821 4.350 -0.000 0.000 0.265 451 E C -1.260 175.172 176.600 -0.280 0.000 1.069 451 E CA -0.989 55.281 56.400 -0.217 0.000 0.893 451 E CB 0.482 30.128 29.700 -0.090 0.000 1.076 451 E HN 0.302 nan 8.360 nan 0.000 0.414 452 F N 3.269 123.232 119.950 0.022 0.000 2.351 452 F HA 0.255 4.781 4.527 -0.000 0.000 0.362 452 F C -0.166 175.675 175.800 0.069 0.000 1.131 452 F CA -0.349 57.684 58.000 0.056 0.000 1.187 452 F CB 0.039 39.080 39.000 0.068 0.000 1.434 452 F HN 0.142 nan 8.300 nan 0.000 0.553 453 L N 2.059 123.401 121.223 0.199 0.000 2.418 453 L HA 0.490 4.830 4.340 -0.000 0.000 0.265 453 L C 1.058 178.059 176.870 0.219 0.000 1.143 453 L CA -0.818 54.130 54.840 0.180 0.000 0.809 453 L CB 0.691 42.848 42.059 0.163 0.000 1.124 453 L HN 0.574 nan 8.230 nan 0.000 0.456 454 G N 1.013 109.919 108.800 0.176 0.000 2.403 454 G HA2 0.330 4.290 3.960 -0.000 0.000 0.259 454 G HA3 0.330 4.290 3.960 -0.000 0.000 0.259 454 G C -0.343 174.693 174.900 0.227 0.000 1.244 454 G CA -0.472 44.728 45.100 0.168 0.000 0.849 454 G HN 0.705 nan 8.290 nan 0.000 0.532 455 Q N 0.178 120.133 119.800 0.259 0.000 2.317 455 Q HA 0.586 4.926 4.340 -0.000 0.000 0.229 455 Q C -1.029 175.195 176.000 0.373 0.000 0.984 455 Q CA -0.721 55.292 55.803 0.350 0.000 0.911 455 Q CB 1.727 30.671 28.738 0.343 0.000 1.217 455 Q HN 0.499 nan 8.270 nan 0.000 0.501 456 W N 1.037 122.450 121.300 0.189 0.000 3.074 456 W HA 0.259 4.919 4.660 -0.000 0.000 0.332 456 W C -1.870 174.572 176.519 -0.127 0.000 1.253 456 W CA -1.018 56.293 57.345 -0.058 0.000 1.180 456 W CB 1.558 30.863 29.460 -0.259 0.000 1.445 456 W HN 0.883 nan 8.180 nan 0.000 0.573 457 D N 0.875 121.074 120.400 -0.336 0.000 2.181 457 D HA 0.351 4.991 4.640 -0.000 0.000 0.248 457 D C -1.175 174.699 176.300 -0.709 0.000 1.020 457 D CA -0.311 53.518 54.000 -0.286 0.000 0.891 457 D CB 1.464 42.156 40.800 -0.179 0.000 1.187 457 D HN 0.300 nan 8.370 nan 0.000 0.443 458 W N 1.602 122.859 121.300 -0.072 0.000 2.413 458 W HA 0.356 5.016 4.660 -0.000 0.000 0.308 458 W C -2.503 173.983 176.519 -0.055 0.000 0.997 458 W CA -1.547 55.742 57.345 -0.094 0.000 1.447 458 W CB 1.514 30.978 29.460 0.007 0.000 1.263 458 W HN 0.187 nan 8.180 nan 0.000 0.416 459 P HA 0.157 nan 4.420 nan 0.000 0.283 459 P C 0.615 177.964 177.300 0.082 0.000 1.278 459 P CA -0.433 62.688 63.100 0.035 0.000 0.834 459 P CB 1.595 33.265 31.700 -0.050 0.000 1.150 460 D N 0.856 121.318 120.400 0.103 0.000 2.123 460 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 460 D C 1.170 177.539 176.300 0.114 0.000 0.992 460 D CA 2.102 56.178 54.000 0.125 0.000 0.833 460 D CB -0.635 40.258 40.800 0.155 0.000 0.954 460 D HN 0.613 nan 8.370 nan 0.000 0.455 461 G N -0.867 107.986 108.800 0.089 0.000 2.137 461 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.237 461 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.237 461 G C 0.166 175.141 174.900 0.124 0.000 1.002 461 G CA 0.380 45.527 45.100 0.077 0.000 0.702 461 G HN 0.781 nan 8.290 nan 0.000 0.515 462 A N -0.468 122.456 122.820 0.173 0.000 2.317 462 A HA 0.808 5.128 4.320 -0.000 0.000 0.327 462 A C 0.080 177.786 177.584 0.202 0.000 1.178 462 A CA -0.584 51.605 52.037 0.253 0.000 0.817 462 A CB 0.847 20.079 19.000 0.387 0.000 1.189 462 A HN 0.243 nan 8.150 nan 0.000 0.489 463 K N 2.880 123.356 120.400 0.127 0.000 2.250 463 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 463 K C 0.849 177.486 176.600 0.061 0.000 1.098 463 K CA -0.444 55.781 56.287 -0.104 0.000 0.916 463 K CB 0.439 32.537 32.500 -0.670 0.000 1.209 463 K HN 0.603 nan 8.250 nan 0.000 0.461 464 I N 3.005 123.679 120.570 0.173 0.000 2.502 464 I HA -0.260 3.910 4.170 -0.000 0.000 0.258 464 I C 1.655 177.912 176.117 0.234 0.000 1.172 464 I CA 1.476 62.950 61.300 0.290 0.000 1.430 464 I CB -0.268 37.806 38.000 0.124 0.000 1.086 464 I HN 0.680 nan 8.210 nan 0.000 0.440 465 E N -0.379 119.851 120.200 0.049 0.000 2.268 465 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 465 E C 1.902 178.583 176.600 0.136 0.000 0.995 465 E CA 1.016 57.441 56.400 0.041 0.000 0.836 465 E CB -0.821 28.849 29.700 -0.050 0.000 0.763 465 E HN 0.399 nan 8.360 nan 0.000 0.491 466 Y N 0.016 120.362 120.300 0.077 0.000 2.497 466 Y HA -0.010 4.539 4.550 -0.000 0.000 0.292 466 Y C 1.627 177.459 175.900 -0.113 0.000 1.137 466 Y CA 0.164 58.220 58.100 -0.074 0.000 1.285 466 Y CB -0.593 37.735 38.460 -0.221 0.000 0.991 466 Y HN -0.005 nan 8.280 nan 0.000 0.556 467 F N -0.821 119.294 119.950 0.277 0.000 2.789 467 F HA 0.116 4.643 4.527 -0.000 0.000 0.300 467 F C 0.895 176.815 175.800 0.201 0.000 1.132 467 F CA -0.081 58.075 58.000 0.259 0.000 1.404 467 F CB -0.249 38.987 39.000 0.395 0.000 1.114 467 F HN -0.206 nan 8.300 nan 0.000 0.584 468 L N 0.000 121.399 121.223 0.294 0.000 2.949 468 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 468 L CA 0.000 54.960 54.840 0.200 0.000 0.813 468 L CB 0.000 42.140 42.059 0.136 0.000 0.961 468 L HN 0.000 nan 8.230 nan 0.000 0.502