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 1kmm_1_C DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGSLEA RANYRDALVA FLEQHXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXP ALGDYLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.509 175.510 -0.002 0.000 1.280 4 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 4 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 5 I N 2.276 122.844 120.570 -0.003 0.000 2.612 5 I HA 0.197 nan 4.170 nan 0.000 0.295 5 I C -0.461 175.653 176.117 -0.005 0.000 1.011 5 I CA -0.385 60.913 61.300 -0.003 0.000 1.326 5 I CB 1.105 39.103 38.000 -0.004 0.000 1.427 5 I HN 0.159 8.367 8.210 -0.003 0.000 0.537 6 Q N 2.655 122.453 119.800 -0.003 0.000 2.333 6 Q HA 0.150 nan 4.340 nan 0.000 0.266 6 Q C -1.185 174.812 176.000 -0.006 0.000 1.053 6 Q CA -0.833 54.967 55.803 -0.005 0.000 0.890 6 Q CB 2.023 30.761 28.738 -0.001 0.000 1.337 6 Q HN 0.113 8.383 8.270 -0.001 0.000 0.474 7 A N 0.083 122.897 122.820 -0.011 0.000 2.340 7 A HA 0.113 nan 4.320 nan 0.000 0.268 7 A C 0.082 177.667 177.584 0.003 0.000 1.100 7 A CA -0.371 51.659 52.037 -0.012 0.000 0.803 7 A CB 0.662 19.644 19.000 -0.030 0.000 1.043 7 A HN 0.125 8.266 8.150 -0.014 0.000 0.488 8 I N 1.118 121.695 120.570 0.012 0.000 2.775 8 I HA -0.157 nan 4.170 nan 0.000 0.290 8 I C 0.198 176.336 176.117 0.035 0.000 1.203 8 I CA -0.314 61.005 61.300 0.032 0.000 1.433 8 I CB 0.967 38.994 38.000 0.046 0.000 1.354 8 I HN 0.191 8.405 8.210 0.008 0.000 0.579 9 R N 6.669 127.194 120.500 0.042 0.000 2.585 9 R HA -0.185 nan 4.340 nan 0.000 0.275 9 R C 0.794 177.130 176.300 0.060 0.000 1.018 9 R CA 1.650 57.776 56.100 0.043 0.000 1.072 9 R CB 0.347 30.670 30.300 0.039 0.000 0.953 9 R HN 0.273 8.569 8.270 0.044 0.000 0.419 10 G N 3.653 112.502 108.800 0.081 0.000 2.143 10 G HA2 -0.365 nan 3.960 nan 0.000 0.249 10 G HA3 -0.365 nan 3.960 nan 0.000 0.249 10 G C -1.075 173.915 174.900 0.150 0.000 0.981 10 G CA 0.355 45.540 45.100 0.143 0.000 0.665 10 G HN 0.600 8.932 8.290 0.071 0.000 0.528 11 M N -0.335 119.305 119.600 0.067 0.000 2.053 11 M HA 0.166 nan 4.480 nan 0.000 0.297 11 M C -1.724 174.534 176.300 -0.070 0.000 0.921 11 M CA -0.580 54.733 55.300 0.021 0.000 0.918 11 M CB 1.629 34.248 32.600 0.032 0.000 1.499 11 M HN -0.684 7.587 8.290 0.046 0.047 0.422 12 N N 3.962 122.555 118.700 -0.178 0.000 2.515 12 N HA 0.086 nan 4.740 nan 0.000 0.279 12 N C -1.453 173.782 175.510 -0.460 0.000 1.164 12 N CA 0.086 52.904 53.050 -0.387 0.000 0.982 12 N CB 0.891 38.966 38.487 -0.687 0.000 1.170 12 N HN 0.140 8.428 8.380 -0.153 0.000 0.474 13 D N 0.904 120.999 120.400 -0.509 0.000 2.185 13 D HA 0.115 nan 4.640 nan 0.000 0.247 13 D C -0.737 175.176 176.300 -0.645 0.000 1.027 13 D CA 0.152 53.914 54.000 -0.396 0.000 0.861 13 D CB 1.570 42.240 40.800 -0.218 0.000 1.202 13 D HN -0.011 8.079 8.370 -0.467 0.000 0.453 14 Y N 0.762 120.932 120.300 -0.217 0.000 2.402 14 Y HA 0.177 nan 4.550 nan 0.000 0.332 14 Y C -0.751 175.049 175.900 -0.167 0.000 0.960 14 Y CA -0.655 57.286 58.100 -0.265 0.000 1.228 14 Y CB 0.758 38.901 38.460 -0.528 0.000 1.120 14 Y HN 0.228 8.426 8.280 -0.136 0.000 0.491 15 L N 3.487 124.703 121.223 -0.012 0.000 2.472 15 L HA 0.118 nan 4.340 nan 0.000 0.260 15 L C -0.127 176.763 176.870 0.033 0.000 1.209 15 L CA -1.576 53.265 54.840 0.002 0.000 0.817 15 L CB -0.677 41.377 42.059 -0.009 0.000 1.106 15 L HN 0.327 8.537 8.230 -0.033 0.000 0.479 16 P HA -0.323 nan 4.420 nan 0.000 0.218 16 P C 1.444 178.787 177.300 0.072 0.000 1.165 16 P CA 3.330 66.466 63.100 0.060 0.000 0.922 16 P CB -0.167 31.578 31.700 0.075 0.000 0.794 17 G N -5.441 103.399 108.800 0.066 0.000 2.475 17 G HA2 -0.214 nan 3.960 nan 0.000 0.220 17 G HA3 -0.214 nan 3.960 nan 0.000 0.220 17 G C 1.509 176.472 174.900 0.104 0.000 1.125 17 G CA 1.795 46.940 45.100 0.076 0.000 0.755 17 G HN 0.191 8.513 8.290 0.053 0.000 0.565 18 E N 0.444 120.715 120.200 0.117 0.000 2.122 18 E HA -0.039 nan 4.350 nan 0.000 0.190 18 E C 2.198 178.933 176.600 0.224 0.000 0.977 18 E CA 1.811 58.325 56.400 0.189 0.000 0.820 18 E CB 0.132 29.955 29.700 0.205 0.000 0.770 18 E HN -0.425 7.863 8.360 0.092 0.127 0.462 19 T N -1.851 112.764 114.554 0.101 0.000 2.833 19 T HA -0.270 nan 4.350 nan 0.000 0.269 19 T C 1.712 176.509 174.700 0.162 0.000 1.054 19 T CA 3.681 65.811 62.100 0.050 0.000 1.135 19 T CB -0.993 67.863 68.868 -0.019 0.000 0.869 19 T HN -0.026 8.260 8.240 0.076 0.000 0.466 20 A N 1.425 124.332 122.820 0.145 0.000 1.940 20 A HA -0.275 nan 4.320 nan 0.000 0.219 20 A C 1.640 179.327 177.584 0.171 0.000 1.176 20 A CA 3.061 55.178 52.037 0.134 0.000 0.631 20 A CB -0.883 18.181 19.000 0.107 0.000 0.814 20 A HN -0.448 7.759 8.150 0.126 0.018 0.446 21 I N -2.488 118.211 120.570 0.214 0.000 2.315 21 I HA -0.345 nan 4.170 nan 0.000 0.248 21 I C 1.473 177.674 176.117 0.140 0.000 1.117 21 I CA 2.577 63.998 61.300 0.200 0.000 1.404 21 I CB -0.471 37.625 38.000 0.160 0.000 1.071 21 I HN -0.674 7.584 8.210 0.229 0.090 0.419 22 W N -0.895 120.382 121.300 -0.039 0.000 2.381 22 W HA -0.392 nan 4.660 nan 0.000 0.301 22 W C 2.254 178.731 176.519 -0.069 0.000 1.205 22 W CA 5.023 62.304 57.345 -0.106 0.000 1.285 22 W CB -0.735 28.607 29.460 -0.197 0.000 1.133 22 W HN -0.654 7.733 8.180 0.514 0.101 0.521 23 Q N -1.323 118.600 119.800 0.205 0.000 2.061 23 Q HA -0.455 nan 4.340 nan 0.000 0.204 23 Q C 2.715 178.766 176.000 0.086 0.000 0.984 23 Q CA 3.795 59.669 55.803 0.119 0.000 0.846 23 Q CB -0.460 28.336 28.738 0.098 0.000 0.902 23 Q HN 0.478 8.888 8.270 0.232 0.000 0.421 24 R N -0.798 119.767 120.500 0.108 0.000 2.081 24 R HA -0.249 nan 4.340 nan 0.000 0.235 24 R C 2.568 178.935 176.300 0.111 0.000 1.131 24 R CA 3.091 59.263 56.100 0.120 0.000 0.960 24 R CB -0.092 30.318 30.300 0.183 0.000 0.856 24 R HN -0.569 7.780 8.270 0.133 0.000 0.436 25 I N -0.607 119.992 120.570 0.048 0.000 2.179 25 I HA -0.521 nan 4.170 nan 0.000 0.242 25 I C 1.764 177.791 176.117 -0.151 0.000 1.088 25 I CA 3.998 65.229 61.300 -0.114 0.000 1.357 25 I CB -0.321 37.478 38.000 -0.334 0.000 1.051 25 I HN -0.118 8.124 8.210 0.053 0.000 0.409 26 E N -0.618 119.518 120.200 -0.105 0.000 2.038 26 E HA -0.398 nan 4.350 nan 0.000 0.195 26 E C 2.645 179.190 176.600 -0.092 0.000 1.000 26 E CA 3.558 59.895 56.400 -0.104 0.000 0.803 26 E CB -0.379 29.317 29.700 -0.007 0.000 0.750 26 E HN 0.265 8.485 8.360 -0.056 0.107 0.448 27 G N -1.225 107.558 108.800 -0.028 0.000 2.529 27 G HA2 -0.467 nan 3.960 nan 0.000 0.219 27 G HA3 -0.467 nan 3.960 nan 0.000 0.219 27 G C 1.182 176.061 174.900 -0.035 0.000 1.177 27 G CA 2.581 47.674 45.100 -0.012 0.000 0.773 27 G HN 0.087 8.377 8.290 0.000 0.000 0.573 28 T N 5.582 120.115 114.554 -0.036 0.000 2.684 28 T HA -0.346 nan 4.350 nan 0.000 0.267 28 T C 2.361 177.012 174.700 -0.081 0.000 1.036 28 T CA 5.109 67.190 62.100 -0.032 0.000 1.148 28 T CB -0.584 68.280 68.868 -0.007 0.000 0.863 28 T HN -0.624 7.604 8.240 -0.020 0.000 0.436 29 L N 0.297 121.380 121.223 -0.234 0.000 2.017 29 L HA -0.474 nan 4.340 nan 0.000 0.208 29 L C 1.919 178.687 176.870 -0.170 0.000 1.073 29 L CA 3.467 58.069 54.840 -0.397 0.000 0.745 29 L CB -0.612 40.990 42.059 -0.762 0.000 0.894 29 L HN -0.402 7.605 8.230 -0.246 0.075 0.432 30 K N -1.786 118.468 120.400 -0.244 0.000 2.097 30 K HA -0.405 nan 4.320 nan 0.000 0.206 30 K C 2.605 179.122 176.600 -0.139 0.000 1.049 30 K CA 3.544 59.640 56.287 -0.319 0.000 0.933 30 K CB -0.424 31.970 32.500 -0.177 0.000 0.717 30 K HN 0.317 8.436 8.250 -0.219 0.000 0.442 31 N N -0.011 118.662 118.700 -0.045 0.000 2.080 31 N HA -0.238 nan 4.740 nan 0.000 0.189 31 N C 1.969 177.501 175.510 0.037 0.000 1.036 31 N CA 3.546 56.603 53.050 0.011 0.000 0.846 31 N CB 0.498 38.998 38.487 0.022 0.000 1.015 31 N HN -0.126 8.129 8.380 -0.052 0.093 0.423 32 V N 0.375 120.337 119.914 0.079 0.000 2.453 32 V HA -0.386 nan 4.120 nan 0.000 0.252 32 V C 2.036 178.174 176.094 0.073 0.000 1.068 32 V CA 3.723 66.101 62.300 0.130 0.000 1.070 32 V CB -0.797 31.181 31.823 0.258 0.000 0.664 32 V HN 0.030 8.267 8.190 0.077 0.000 0.461 33 L N -3.932 117.270 121.223 -0.034 0.000 2.156 33 L HA -0.191 nan 4.340 nan 0.000 0.208 33 L C 1.982 178.851 176.870 -0.002 0.000 1.095 33 L CA 2.639 57.355 54.840 -0.208 0.000 0.770 33 L CB -0.519 41.236 42.059 -0.506 0.000 0.914 33 L HN -0.148 7.965 8.230 -0.021 0.104 0.439 34 G N -1.808 107.021 108.800 0.049 0.000 2.418 34 G HA2 -0.327 nan 3.960 nan 0.000 0.217 34 G HA3 -0.327 nan 3.960 nan 0.000 0.217 34 G C 1.506 176.484 174.900 0.130 0.000 1.158 34 G CA 2.067 47.247 45.100 0.134 0.000 0.771 34 G HN -0.214 7.954 8.290 -0.002 0.121 0.545 35 S N 1.252 117.009 115.700 0.094 0.000 2.537 35 S HA -0.232 nan 4.470 nan 0.000 0.240 35 S C 0.201 174.769 174.600 -0.053 0.000 0.981 35 S CA 2.582 60.791 58.200 0.015 0.000 0.948 35 S CB -0.070 63.110 63.200 -0.033 0.000 0.759 35 S HN -0.166 8.198 8.310 0.091 0.000 0.531 36 Y N -0.721 119.567 120.300 -0.020 0.000 2.444 36 Y HA 0.041 nan 4.550 nan 0.000 0.249 36 Y C -0.700 175.370 175.900 0.283 0.000 1.134 36 Y CA -0.094 58.025 58.100 0.032 0.000 1.261 36 Y CB 0.691 39.007 38.460 -0.240 0.000 1.143 36 Y HN -0.756 7.492 8.280 0.271 0.195 0.523 37 G N -2.244 106.793 108.800 0.396 0.000 2.132 37 G HA2 -0.400 nan 3.960 nan 0.000 0.234 37 G HA3 -0.400 nan 3.960 nan 0.000 0.234 37 G C -0.357 174.796 174.900 0.422 0.000 0.989 37 G CA 0.070 45.374 45.100 0.340 0.000 0.676 37 G HN -0.477 7.871 8.290 0.301 0.123 0.522 38 Y N 0.628 121.061 120.300 0.222 0.000 2.316 38 Y HA 0.049 nan 4.550 nan 0.000 0.331 38 Y C -0.596 175.551 175.900 0.412 0.000 1.083 38 Y CA -1.401 56.878 58.100 0.298 0.000 1.206 38 Y CB 0.018 38.673 38.460 0.325 0.000 1.195 38 Y HN -0.883 7.830 8.280 0.722 0.000 0.497 39 S N 3.403 119.310 115.700 0.346 0.000 2.578 39 S HA 0.211 nan 4.470 nan 0.000 0.283 39 S C -1.260 173.213 174.600 -0.211 0.000 1.195 39 S CA -1.099 57.195 58.200 0.155 0.000 1.050 39 S CB 1.396 64.628 63.200 0.054 0.000 1.012 39 S HN 0.208 8.645 8.310 0.212 0.000 0.511 40 E N 3.562 123.444 120.200 -0.531 0.000 2.354 40 E HA 0.335 nan 4.350 nan 0.000 0.269 40 E C -1.114 175.201 176.600 -0.474 0.000 1.036 40 E CA -0.175 55.587 56.400 -1.062 0.000 0.876 40 E CB 1.083 30.081 29.700 -1.170 0.000 1.009 40 E HN 0.206 8.423 8.360 -0.239 0.000 0.416 41 I N 4.811 125.159 120.570 -0.370 0.000 2.499 41 I HA 0.189 nan 4.170 nan 0.000 0.288 41 I C -1.935 174.134 176.117 -0.080 0.000 1.048 41 I CA -1.355 59.857 61.300 -0.147 0.000 1.062 41 I CB 2.076 40.054 38.000 -0.035 0.000 1.238 41 I HN 0.607 8.537 8.210 -0.467 0.000 0.426 42 R N 7.399 127.851 120.500 -0.080 0.000 2.255 42 R HA 0.265 nan 4.340 nan 0.000 0.326 42 R C -0.511 175.768 176.300 -0.034 0.000 0.986 42 R CA -0.744 55.332 56.100 -0.040 0.000 0.847 42 R CB 0.874 31.148 30.300 -0.043 0.000 1.111 42 R HN 0.094 8.304 8.270 -0.100 0.000 0.452 43 L N 4.612 125.819 121.223 -0.027 0.000 2.341 43 L HA 0.602 nan 4.340 nan 0.000 0.267 43 L C -1.432 175.434 176.870 -0.007 0.000 1.009 43 L CA -3.058 51.763 54.840 -0.032 0.000 0.819 43 L CB 1.390 43.408 42.059 -0.068 0.000 1.323 43 L HN 0.301 8.520 8.230 -0.018 0.000 0.425 44 P HA -0.005 nan 4.420 nan 0.000 0.266 44 P C -0.021 177.311 177.300 0.053 0.000 1.193 44 P CA 0.278 63.397 63.100 0.033 0.000 0.770 44 P CB 0.597 32.318 31.700 0.035 0.000 0.836 45 I N 0.286 120.895 120.570 0.065 0.000 2.617 45 I HA -0.143 nan 4.170 nan 0.000 0.256 45 I C -0.395 175.774 176.117 0.088 0.000 1.167 45 I CA 1.845 63.201 61.300 0.093 0.000 1.469 45 I CB 0.199 38.260 38.000 0.101 0.000 1.098 45 I HN -0.147 8.096 8.210 0.056 0.000 0.436 46 V N -1.776 118.186 119.914 0.079 0.000 2.581 46 V HA 0.387 nan 4.120 nan 0.000 0.303 46 V C -0.920 175.247 176.094 0.121 0.000 1.041 46 V CA -1.136 61.220 62.300 0.093 0.000 0.907 46 V CB 2.205 34.070 31.823 0.071 0.000 0.994 46 V HN -0.672 7.530 8.190 0.067 0.028 0.442 47 E N 2.948 123.266 120.200 0.197 0.000 2.459 47 E HA 0.399 nan 4.350 nan 0.000 0.275 47 E C -1.770 174.887 176.600 0.095 0.000 0.987 47 E CA -2.422 54.050 56.400 0.120 0.000 0.828 47 E CB 4.574 34.302 29.700 0.047 0.000 1.428 47 E HN 0.492 9.009 8.360 0.262 0.000 0.457 48 Q N -0.529 119.257 119.800 -0.023 0.000 2.314 48 Q HA 0.113 nan 4.340 nan 0.000 0.258 48 Q C 1.483 177.493 176.000 0.017 0.000 0.954 48 Q CA 0.927 56.711 55.803 -0.031 0.000 0.890 48 Q CB 0.571 29.269 28.738 -0.065 0.000 1.210 48 Q HN 0.403 8.625 8.270 -0.079 0.000 0.410 49 T N 7.307 121.901 114.554 0.067 0.000 2.737 49 T HA -0.243 nan 4.350 nan 0.000 0.269 49 T C -0.203 174.559 174.700 0.103 0.000 1.040 49 T CA 5.975 68.171 62.100 0.159 0.000 1.142 49 T CB -2.224 66.686 68.868 0.070 0.000 0.861 49 T HN 0.256 8.500 8.240 0.006 0.000 0.456 50 P HA -0.130 nan 4.420 nan 0.000 0.221 50 P C 0.791 178.056 177.300 -0.057 0.000 1.145 50 P CA 2.339 65.432 63.100 -0.012 0.000 0.795 50 P CB -0.536 31.146 31.700 -0.030 0.000 0.775 51 L N -1.338 119.784 121.223 -0.168 0.000 1.994 51 L HA -0.305 nan 4.340 nan 0.000 0.208 51 L C 1.253 177.939 176.870 -0.307 0.000 1.071 51 L CA 3.625 58.267 54.840 -0.330 0.000 0.745 51 L CB -0.331 41.358 42.059 -0.616 0.000 0.892 51 L HN -0.158 7.832 8.230 -0.165 0.141 0.431 52 F N -3.398 116.563 119.950 0.018 0.000 2.293 52 F HA -0.359 nan 4.527 nan 0.000 0.300 52 F C 2.416 178.235 175.800 0.032 0.000 1.086 52 F CA 3.431 61.452 58.000 0.035 0.000 1.375 52 F CB -0.815 38.210 39.000 0.041 0.000 1.045 52 F HN -0.759 7.336 8.300 -0.342 0.000 0.516 53 K N -0.173 120.322 120.400 0.158 0.000 2.044 53 K HA -0.242 nan 4.320 nan 0.000 0.204 53 K C 2.604 179.240 176.600 0.061 0.000 1.049 53 K CA 3.284 59.630 56.287 0.098 0.000 0.945 53 K CB -0.194 32.347 32.500 0.068 0.000 0.724 53 K HN -0.505 7.707 8.250 0.134 0.118 0.440 54 R N -1.608 118.910 120.500 0.030 0.000 2.073 54 R HA -0.277 nan 4.340 nan 0.000 0.234 54 R C 1.784 178.108 176.300 0.039 0.000 1.134 54 R CA 2.581 58.691 56.100 0.018 0.000 0.952 54 R CB -0.138 30.155 30.300 -0.012 0.000 0.850 54 R HN 0.197 8.361 8.270 0.013 0.113 0.433 55 A N -1.984 120.862 122.820 0.045 0.000 1.832 55 A HA -0.058 nan 4.320 nan 0.000 0.214 55 A C 1.307 178.999 177.584 0.179 0.000 1.204 55 A CA 1.790 53.889 52.037 0.103 0.000 0.606 55 A CB 0.381 19.424 19.000 0.070 0.000 0.849 55 A HN -0.019 8.141 8.150 0.016 0.000 0.445 56 I N -4.566 116.097 120.570 0.154 0.000 2.315 56 I HA -0.232 nan 4.170 nan 0.000 0.248 56 I C -0.276 175.845 176.117 0.006 0.000 1.117 56 I CA 1.536 62.873 61.300 0.061 0.000 1.404 56 I CB 0.549 38.608 38.000 0.098 0.000 1.071 56 I HN -0.690 7.617 8.210 0.162 0.000 0.419 57 G N -4.013 104.813 108.800 0.043 0.000 2.742 57 G HA2 -0.227 nan 3.960 nan 0.000 0.686 57 G HA3 -0.227 nan 3.960 nan 0.000 0.686 57 G C 0.046 174.965 174.900 0.032 0.000 1.220 57 G CA -0.772 44.345 45.100 0.028 0.000 0.783 57 G HN -0.817 7.514 8.290 0.068 0.000 0.646 58 E N 1.610 121.827 120.200 0.028 0.000 2.072 58 E HA -0.128 nan 4.350 nan 0.000 0.190 58 E C 0.938 177.549 176.600 0.019 0.000 0.982 58 E CA 2.574 58.990 56.400 0.026 0.000 0.803 58 E CB -0.029 29.684 29.700 0.021 0.000 0.755 58 E HN 0.567 8.943 8.360 0.027 0.000 0.453 59 V N -8.167 111.756 119.914 0.016 0.000 3.219 59 V HA 0.275 nan 4.120 nan 0.000 0.377 59 V C -0.982 175.119 176.094 0.011 0.000 1.275 59 V CA -1.500 60.807 62.300 0.012 0.000 1.366 59 V CB -1.929 29.901 31.823 0.011 0.000 1.282 59 V HN -0.145 8.055 8.190 0.016 0.000 0.487 60 T N -5.083 109.479 114.554 0.013 0.000 2.918 60 T HA 0.262 nan 4.350 nan 0.000 0.286 60 T C 0.597 175.306 174.700 0.015 0.000 1.026 60 T CA -1.364 60.742 62.100 0.011 0.000 1.031 60 T CB 3.204 72.075 68.868 0.005 0.000 1.046 60 T HN -1.011 7.139 8.240 0.016 0.100 0.479 61 D N 3.204 123.613 120.400 0.015 0.000 2.218 61 D HA -0.154 nan 4.640 nan 0.000 0.204 61 D C 1.762 178.078 176.300 0.026 0.000 0.976 61 D CA 2.766 56.776 54.000 0.017 0.000 0.853 61 D CB -0.535 40.273 40.800 0.015 0.000 0.939 61 D HN 0.475 8.852 8.370 0.012 0.000 0.481 62 V N -0.886 119.048 119.914 0.034 0.000 2.244 62 V HA -0.259 nan 4.120 nan 0.000 0.244 62 V C 2.129 178.250 176.094 0.044 0.000 1.042 62 V CA 4.040 66.370 62.300 0.050 0.000 1.006 62 V CB -0.408 31.453 31.823 0.063 0.000 0.641 62 V HN -0.045 8.137 8.190 0.029 0.025 0.446 63 V N -1.087 118.854 119.914 0.044 0.000 2.358 63 V HA -0.329 nan 4.120 nan 0.000 0.246 63 V C 1.891 178.000 176.094 0.025 0.000 1.047 63 V CA 3.225 65.552 62.300 0.046 0.000 1.035 63 V CB -0.744 31.114 31.823 0.059 0.000 0.658 63 V HN -0.445 7.770 8.190 0.043 0.000 0.452 64 E N -1.500 118.711 120.200 0.018 0.000 2.031 64 E HA -0.200 nan 4.350 nan 0.000 0.193 64 E C 1.460 178.056 176.600 -0.006 0.000 0.994 64 E CA 2.557 58.961 56.400 0.006 0.000 0.800 64 E CB 0.486 30.190 29.700 0.006 0.000 0.752 64 E HN 0.051 8.424 8.360 0.022 0.000 0.447 65 K N -6.002 114.397 120.400 -0.002 0.000 2.483 65 K HA 0.221 nan 4.320 nan 0.000 0.206 65 K C 0.521 177.116 176.600 -0.009 0.000 1.086 65 K CA 0.269 56.546 56.287 -0.017 0.000 1.052 65 K CB 1.201 33.695 32.500 -0.011 0.000 0.904 65 K HN -0.237 7.907 8.250 0.010 0.113 0.557 66 E N -0.203 120.009 120.200 0.020 0.000 2.399 66 E HA 0.125 nan 4.350 nan 0.000 0.205 66 E C -0.615 176.025 176.600 0.068 0.000 0.906 66 E CA 0.068 56.508 56.400 0.066 0.000 0.998 66 E CB 1.969 31.731 29.700 0.103 0.000 1.002 66 E HN -0.209 8.066 8.360 0.021 0.097 0.501 67 M N 0.353 119.971 119.600 0.030 0.000 2.249 67 M HA -0.180 nan 4.480 nan 0.000 0.340 67 M C 0.297 176.610 176.300 0.022 0.000 1.166 67 M CA 1.562 56.885 55.300 0.038 0.000 1.115 67 M CB 0.597 33.189 32.600 -0.013 0.000 1.606 67 M HN -0.758 7.542 8.290 0.016 0.000 0.448 68 Y N 4.480 124.806 120.300 0.043 0.000 2.751 68 Y HA 0.159 nan 4.550 nan 0.000 0.333 68 Y C -1.214 174.744 175.900 0.096 0.000 1.122 68 Y CA -0.476 57.678 58.100 0.090 0.000 1.367 68 Y CB -1.461 37.048 38.460 0.082 0.000 1.242 68 Y HN 0.625 9.091 8.280 0.311 0.000 0.505 69 T N 5.417 120.064 114.554 0.154 0.000 2.934 69 T HA 0.653 nan 4.350 nan 0.000 0.283 69 T C -1.345 173.489 174.700 0.224 0.000 1.005 69 T CA -0.527 61.630 62.100 0.095 0.000 1.041 69 T CB 1.295 70.173 68.868 0.016 0.000 1.042 69 T HN -0.122 8.159 8.240 0.069 0.000 0.505 70 F N -0.814 119.150 119.950 0.023 0.000 2.807 70 F HA 0.409 nan 4.527 nan 0.000 0.316 70 F C -2.792 173.016 175.800 0.014 0.000 1.162 70 F CA -1.805 56.205 58.000 0.015 0.000 0.910 70 F CB 1.581 40.591 39.000 0.017 0.000 1.314 70 F HN 0.548 8.654 8.300 -0.324 0.000 0.454 71 E N -0.597 119.728 120.200 0.208 0.000 2.179 71 E HA 0.269 nan 4.350 nan 0.000 0.275 71 E C -1.554 175.152 176.600 0.176 0.000 0.945 71 E CA -0.779 55.669 56.400 0.080 0.000 0.792 71 E CB 2.070 31.810 29.700 0.066 0.000 1.125 71 E HN 0.012 8.571 8.360 0.332 0.000 0.397 72 D N 3.128 123.565 120.400 0.062 0.000 2.312 72 D HA 0.163 nan 4.640 nan 0.000 0.248 72 D C 1.170 177.513 176.300 0.071 0.000 1.086 72 D CA -1.343 52.718 54.000 0.102 0.000 0.948 72 D CB 2.274 43.096 40.800 0.035 0.000 1.162 72 D HN 0.464 8.822 8.370 -0.021 0.000 0.446 73 R N 2.664 123.206 120.500 0.069 0.000 2.226 73 R HA -0.289 nan 4.340 nan 0.000 0.246 73 R C 0.076 176.393 176.300 0.028 0.000 1.161 73 R CA 2.859 58.985 56.100 0.044 0.000 0.997 73 R CB -0.418 29.904 30.300 0.037 0.000 0.870 73 R HN 0.626 8.948 8.270 0.086 0.000 0.465 74 N N -4.475 114.239 118.700 0.022 0.000 2.268 74 N HA 0.039 nan 4.740 nan 0.000 0.204 74 N C 0.414 175.927 175.510 0.005 0.000 1.124 74 N CA -0.391 52.665 53.050 0.010 0.000 0.838 74 N CB -0.242 38.248 38.487 0.005 0.000 0.994 74 N HN -0.548 7.794 8.380 0.026 0.053 0.489 75 G N -1.084 107.721 108.800 0.008 0.000 2.284 75 G HA2 -0.473 nan 3.960 nan 0.000 0.247 75 G HA3 -0.473 nan 3.960 nan 0.000 0.247 75 G C -1.028 173.865 174.900 -0.012 0.000 1.012 75 G CA 0.446 45.547 45.100 0.002 0.000 0.618 75 G HN 0.510 8.644 8.290 0.018 0.167 0.521 76 D N 1.118 121.505 120.400 -0.021 0.000 2.423 76 D HA -0.121 nan 4.640 nan 0.000 0.238 76 D C -1.172 175.084 176.300 -0.073 0.000 1.142 76 D CA 1.121 55.096 54.000 -0.042 0.000 0.884 76 D CB 0.816 41.588 40.800 -0.047 0.000 1.199 76 D HN -0.293 7.979 8.370 -0.015 0.089 0.438 77 S N -0.176 115.474 115.700 -0.083 0.000 2.452 77 S HA 0.602 nan 4.470 nan 0.000 0.284 77 S C -1.150 173.335 174.600 -0.191 0.000 1.171 77 S CA -0.371 57.755 58.200 -0.124 0.000 1.064 77 S CB 0.327 63.486 63.200 -0.067 0.000 0.967 77 S HN 0.036 8.309 8.310 -0.062 0.000 0.484 78 L N 8.385 129.363 121.223 -0.408 0.000 2.329 78 L HA 0.651 nan 4.340 nan 0.000 0.279 78 L C -1.818 174.751 176.870 -0.503 0.000 1.014 78 L CA -0.725 53.807 54.840 -0.513 0.000 0.814 78 L CB 2.753 44.292 42.059 -0.866 0.000 1.257 78 L HN 0.763 8.677 8.230 -0.527 0.000 0.424 79 T N 5.241 119.704 114.554 -0.153 0.000 2.848 79 T HA 0.480 nan 4.350 nan 0.000 0.285 79 T C -1.425 173.254 174.700 -0.034 0.000 0.995 79 T CA -0.533 61.533 62.100 -0.056 0.000 0.970 79 T CB 2.130 71.001 68.868 0.006 0.000 0.976 79 T HN 0.832 9.059 8.240 -0.022 0.000 0.441 80 L N 6.147 127.348 121.223 -0.037 0.000 2.418 80 L HA 0.229 nan 4.340 nan 0.000 0.274 80 L C -0.595 176.178 176.870 -0.160 0.000 1.135 80 L CA -0.584 54.181 54.840 -0.124 0.000 0.870 80 L CB 0.147 41.992 42.059 -0.356 0.000 1.154 80 L HN 0.223 8.485 8.230 0.054 0.000 0.462 81 R N 5.240 125.678 120.500 -0.103 0.000 2.537 81 R HA -0.084 nan 4.340 nan 0.000 0.281 81 R C -1.226 175.017 176.300 -0.094 0.000 0.988 81 R CA 0.279 56.251 56.100 -0.212 0.000 1.077 81 R CB -0.733 29.633 30.300 0.109 0.000 0.932 81 R HN 0.168 8.453 8.270 0.025 0.000 0.409 82 P HA 0.098 nan 4.420 nan 0.000 0.259 82 P C -1.498 175.881 177.300 0.132 0.000 1.233 82 P CA 1.283 64.409 63.100 0.044 0.000 0.827 82 P CB 0.391 32.109 31.700 0.030 0.000 1.154 83 E N -3.843 116.426 120.200 0.115 0.000 2.437 83 E HA 0.210 nan 4.350 nan 0.000 0.280 83 E C -1.084 175.598 176.600 0.137 0.000 1.044 83 E CA -0.894 55.612 56.400 0.177 0.000 0.826 83 E CB 1.874 31.723 29.700 0.248 0.000 1.358 83 E HN -0.895 7.466 8.360 0.080 0.047 0.459 84 G N -2.579 106.266 108.800 0.075 0.000 2.833 84 G HA2 0.247 nan 3.960 nan 0.000 0.210 84 G HA3 0.247 nan 3.960 nan 0.000 0.210 84 G C 0.244 175.088 174.900 -0.093 0.000 1.139 84 G CA 0.791 45.772 45.100 -0.199 0.000 0.771 84 G HN 0.543 8.939 8.290 0.176 0.000 0.535 85 T N 5.488 120.107 114.554 0.108 0.000 2.635 85 T HA -0.402 nan 4.350 nan 0.000 0.267 85 T C 1.814 176.498 174.700 -0.027 0.000 1.040 85 T CA 4.297 66.424 62.100 0.044 0.000 1.156 85 T CB -0.741 68.029 68.868 -0.164 0.000 0.863 85 T HN -0.088 8.265 8.240 0.188 0.000 0.430 86 A N 0.976 123.789 122.820 -0.012 0.000 1.884 86 A HA -0.384 nan 4.320 nan 0.000 0.219 86 A C 1.866 179.395 177.584 -0.093 0.000 1.197 86 A CA 3.172 55.170 52.037 -0.066 0.000 0.637 86 A CB -0.940 18.020 19.000 -0.065 0.000 0.827 86 A HN -0.116 8.393 8.150 0.082 -0.310 0.450 87 G N -3.372 105.387 108.800 -0.068 0.000 2.432 87 G HA2 -0.445 nan 3.960 nan 0.000 0.219 87 G HA3 -0.445 nan 3.960 nan 0.000 0.219 87 G C 0.572 175.448 174.900 -0.040 0.000 1.135 87 G CA 1.781 46.837 45.100 -0.072 0.000 0.767 87 G HN 0.190 8.477 8.290 -0.006 0.000 0.550 88 C N 2.760 122.059 119.300 -0.002 0.000 2.455 88 C HA -0.263 nan 4.460 nan 0.000 0.281 88 C C 1.930 176.942 174.990 0.038 0.000 1.237 88 C CA 4.158 63.221 59.018 0.076 0.000 1.726 88 C CB -1.304 26.592 27.740 0.259 0.000 2.068 88 C HN -0.401 7.714 8.230 -0.011 0.108 0.466 89 V N 1.009 120.968 119.914 0.076 0.000 2.380 89 V HA -0.533 nan 4.120 nan 0.000 0.251 89 V C 2.083 178.146 176.094 -0.053 0.000 1.063 89 V CA 4.529 66.839 62.300 0.017 0.000 1.055 89 V CB -1.246 30.625 31.823 0.080 0.000 0.657 89 V HN 0.312 8.567 8.190 0.108 0.000 0.455 90 R N -0.343 120.126 120.500 -0.051 0.000 2.062 90 R HA -0.360 nan 4.340 nan 0.000 0.231 90 R C 1.891 178.174 176.300 -0.029 0.000 1.136 90 R CA 3.525 59.588 56.100 -0.062 0.000 0.948 90 R CB -0.162 30.083 30.300 -0.092 0.000 0.845 90 R HN 0.148 8.292 8.270 -0.048 0.097 0.430 91 A N -2.705 120.115 122.820 0.000 0.000 1.972 91 A HA -0.181 nan 4.320 nan 0.000 0.219 91 A C 2.154 179.797 177.584 0.098 0.000 1.169 91 A CA 2.785 54.878 52.037 0.093 0.000 0.635 91 A CB -0.787 18.235 19.000 0.036 0.000 0.810 91 A HN 0.497 8.524 8.150 -0.018 0.113 0.446 92 G N -0.921 107.849 108.800 -0.050 0.000 2.434 92 G HA2 -0.304 nan 3.960 nan 0.000 0.214 92 G HA3 -0.304 nan 3.960 nan 0.000 0.214 92 G C 1.316 176.167 174.900 -0.080 0.000 1.202 92 G CA 1.791 46.808 45.100 -0.139 0.000 0.788 92 G HN 0.194 8.331 8.290 -0.075 0.108 0.539 93 I N 1.258 121.776 120.570 -0.087 0.000 2.361 93 I HA -0.503 nan 4.170 nan 0.000 0.251 93 I C 2.570 178.654 176.117 -0.056 0.000 1.133 93 I CA 3.564 64.824 61.300 -0.066 0.000 1.413 93 I CB -0.164 37.797 38.000 -0.066 0.000 1.073 93 I HN 0.189 8.338 8.210 -0.102 0.000 0.424 94 E N 0.196 120.367 120.200 -0.050 0.000 2.106 94 E HA -0.249 nan 4.350 nan 0.000 0.192 94 E C 1.349 177.805 176.600 -0.239 0.000 0.984 94 E CA 2.561 58.877 56.400 -0.140 0.000 0.806 94 E CB 0.163 29.763 29.700 -0.165 0.000 0.750 94 E HN 0.008 8.260 8.360 -0.021 0.095 0.458 95 H N -4.322 114.714 119.070 -0.055 0.000 2.549 95 H HA 0.180 nan 4.556 nan 0.000 0.279 95 H C -0.416 174.889 175.328 -0.038 0.000 1.018 95 H CA -0.488 55.534 56.048 -0.043 0.000 1.175 95 H CB 0.032 29.768 29.762 -0.044 0.000 1.485 95 H HN -0.489 7.889 8.280 0.163 0.000 0.543 96 G N 0.302 109.127 108.800 0.040 0.000 2.314 96 G HA2 -0.374 nan 3.960 nan 0.000 0.292 96 G HA3 -0.374 nan 3.960 nan 0.000 0.292 96 G C -0.176 174.743 174.900 0.032 0.000 1.059 96 G CA 0.806 45.925 45.100 0.032 0.000 0.982 96 G HN -0.399 7.711 8.290 0.010 0.185 0.505 97 L N -3.484 117.738 121.223 -0.002 0.000 2.640 97 L HA 0.063 nan 4.340 nan 0.000 0.230 97 L C 0.409 177.243 176.870 -0.061 0.000 1.123 97 L CA 0.321 55.141 54.840 -0.034 0.000 0.900 97 L CB 0.366 42.380 42.059 -0.074 0.000 1.146 97 L HN -0.067 8.154 8.230 -0.015 0.000 0.484 98 L N -3.893 117.300 121.223 -0.051 0.000 2.500 98 L HA 0.056 nan 4.340 nan 0.000 0.219 98 L C -0.132 176.791 176.870 0.087 0.000 1.057 98 L CA 0.410 55.224 54.840 -0.043 0.000 0.854 98 L CB 0.777 42.754 42.059 -0.137 0.000 1.078 98 L HN -0.739 7.420 8.230 -0.027 0.055 0.480 99 Y N -0.063 120.216 120.300 -0.036 0.000 2.745 99 Y HA -0.309 nan 4.550 nan 0.000 0.335 99 Y C 0.094 175.991 175.900 -0.006 0.000 1.212 99 Y CA 0.628 58.719 58.100 -0.015 0.000 1.535 99 Y CB -0.631 37.819 38.460 -0.016 0.000 1.220 99 Y HN -0.441 7.950 8.280 0.184 0.000 0.531 100 N N 3.897 122.459 118.700 -0.230 0.000 2.732 100 N HA -0.405 nan 4.740 nan 0.000 0.250 100 N C -1.230 174.197 175.510 -0.139 0.000 1.097 100 N CA 1.593 54.456 53.050 -0.312 0.000 0.812 100 N CB -0.435 37.702 38.487 -0.584 0.000 1.148 100 N HN 0.701 9.100 8.380 0.032 0.000 0.572 101 Q N -2.792 116.977 119.800 -0.051 0.000 2.359 101 Q HA 0.223 nan 4.340 nan 0.000 0.275 101 Q C -1.533 174.481 176.000 0.023 0.000 1.082 101 Q CA -1.185 54.605 55.803 -0.021 0.000 0.849 101 Q CB 2.457 31.185 28.738 -0.017 0.000 1.377 101 Q HN -0.614 7.503 8.270 -0.012 0.145 0.452 102 E N 0.476 120.689 120.200 0.021 0.000 2.195 102 E HA 0.141 nan 4.350 nan 0.000 0.271 102 E C -1.362 175.267 176.600 0.049 0.000 0.923 102 E CA -0.798 55.627 56.400 0.042 0.000 0.790 102 E CB 1.207 30.913 29.700 0.011 0.000 1.155 102 E HN 0.095 8.457 8.360 0.003 0.000 0.402 103 Q N 3.381 123.241 119.800 0.099 0.000 2.309 103 Q HA 0.367 nan 4.340 nan 0.000 0.273 103 Q C -2.105 173.926 176.000 0.051 0.000 1.040 103 Q CA -0.891 54.975 55.803 0.106 0.000 0.834 103 Q CB 4.635 33.495 28.738 0.204 0.000 1.345 103 Q HN 0.103 8.451 8.270 0.131 0.000 0.414 104 R N 3.005 123.451 120.500 -0.091 0.000 2.487 104 R HA 0.632 nan 4.340 nan 0.000 0.288 104 R C -1.680 174.515 176.300 -0.174 0.000 1.394 104 R CA -0.367 55.512 56.100 -0.368 0.000 1.155 104 R CB 1.066 30.829 30.300 -0.896 0.000 1.156 104 R HN 0.589 8.819 8.270 -0.065 0.000 0.553 105 L N 1.869 123.130 121.223 0.062 0.000 2.298 105 L HA 0.850 nan 4.340 nan 0.000 0.268 105 L C -1.320 175.731 176.870 0.303 0.000 1.010 105 L CA -2.067 52.875 54.840 0.170 0.000 0.812 105 L CB 2.601 44.761 42.059 0.168 0.000 1.331 105 L HN 0.763 9.046 8.230 0.088 0.000 0.450 106 W N -3.160 118.190 121.300 0.082 0.000 3.137 106 W HA 0.704 nan 4.660 nan 0.000 0.324 106 W C -3.153 173.355 176.519 -0.017 0.000 1.253 106 W CA -1.199 56.106 57.345 -0.066 0.000 1.183 106 W CB 2.874 32.353 29.460 0.031 0.000 1.424 106 W HN 0.337 8.494 8.180 -0.038 0.000 0.566 107 Y N -5.327 115.199 120.300 0.378 0.000 2.552 107 Y HA 0.552 nan 4.550 nan 0.000 0.337 107 Y C -3.108 173.003 175.900 0.352 0.000 1.094 107 Y CA -1.775 56.430 58.100 0.176 0.000 1.028 107 Y CB 2.314 40.822 38.460 0.080 0.000 1.321 107 Y HN 0.318 8.468 8.280 -0.216 0.000 0.456 108 I N 1.625 122.509 120.570 0.524 0.000 2.499 108 I HA 0.691 nan 4.170 nan 0.000 0.288 108 I C -1.336 174.978 176.117 0.328 0.000 1.048 108 I CA -1.706 59.862 61.300 0.446 0.000 1.062 108 I CB 2.670 40.932 38.000 0.437 0.000 1.238 108 I HN 0.383 8.824 8.210 0.386 0.000 0.426 109 G N 6.712 115.686 108.800 0.290 0.000 2.340 109 G HA2 0.294 nan 3.960 nan 0.000 0.299 109 G HA3 0.294 nan 3.960 nan 0.000 0.299 109 G C -4.186 170.757 174.900 0.072 0.000 1.291 109 G CA 0.305 45.522 45.100 0.195 0.000 0.841 109 G HN 0.239 8.720 8.290 0.319 0.000 0.500 110 P HA 0.690 nan 4.420 nan 0.000 0.284 110 P C -1.828 175.070 177.300 -0.669 0.000 1.253 110 P CA -0.566 62.186 63.100 -0.580 0.000 0.800 110 P CB 0.674 32.026 31.700 -0.580 0.000 0.961 111 M N 0.427 119.339 119.600 -1.147 0.000 2.518 111 M HA 0.789 nan 4.480 nan 0.000 0.300 111 M C -1.630 173.900 176.300 -1.282 0.000 1.175 111 M CA -1.497 53.198 55.300 -1.008 0.000 0.890 111 M CB 4.625 36.517 32.600 -1.181 0.000 1.710 111 M HN 0.917 8.255 8.290 -1.407 0.108 0.453 112 F N 1.439 121.166 119.950 -0.372 0.000 2.507 112 F HA 0.631 nan 4.527 nan 0.000 0.325 112 F C -0.907 175.033 175.800 0.233 0.000 1.116 112 F CA -1.336 56.590 58.000 -0.124 0.000 0.930 112 F CB 2.210 41.026 39.000 -0.305 0.000 1.146 112 F HN 0.810 9.046 8.300 0.085 0.115 0.447 113 R N 1.191 122.059 120.500 0.613 0.000 2.574 113 R HA 0.263 nan 4.340 nan 0.000 0.288 113 R C -1.503 175.109 176.300 0.519 0.000 1.004 113 R CA -1.489 54.943 56.100 0.554 0.000 0.895 113 R CB 4.072 34.634 30.300 0.437 0.000 1.191 113 R HN 0.499 8.995 8.270 0.570 0.116 0.444 114 H N 6.092 125.333 119.070 0.285 0.000 3.224 114 H HA -0.110 nan 4.556 nan 0.000 0.265 114 H C -1.292 174.074 175.328 0.063 0.000 1.461 114 H CA 1.074 57.165 56.048 0.071 0.000 1.509 114 H CB -0.332 29.249 29.762 -0.301 0.000 1.686 114 H HN 0.499 8.868 8.280 0.337 0.114 0.514 115 E N 4.009 124.209 120.200 -0.001 0.000 2.410 115 E HA 0.240 nan 4.350 nan 0.000 0.269 115 E C -1.545 175.038 176.600 -0.028 0.000 0.937 115 E CA -2.086 54.322 56.400 0.014 0.000 0.793 115 E CB 4.046 33.742 29.700 -0.007 0.000 1.314 115 E HN -0.457 7.889 8.360 -0.024 0.000 0.447 116 R N 2.214 122.706 120.500 -0.012 0.000 2.370 116 R HA 0.129 nan 4.340 nan 0.000 0.309 116 R C -2.017 174.256 176.300 -0.045 0.000 1.059 116 R CA -1.516 54.574 56.100 -0.017 0.000 0.981 116 R CB 0.139 30.433 30.300 -0.010 0.000 0.972 116 R HN 0.408 8.677 8.270 -0.001 0.000 0.437 117 P HA -0.084 nan 4.420 nan 0.000 0.271 117 P C -1.523 175.733 177.300 -0.074 0.000 1.220 117 P CA 0.286 63.354 63.100 -0.054 0.000 0.768 117 P CB 0.340 32.050 31.700 0.017 0.000 0.848 118 Q N 2.340 122.050 119.800 -0.150 0.000 2.683 118 Q HA 0.205 nan 4.340 nan 0.000 0.302 118 Q C 1.016 176.905 176.000 -0.184 0.000 1.042 118 Q CA -1.901 53.828 55.803 -0.124 0.000 0.773 118 Q CB 2.434 31.105 28.738 -0.112 0.000 1.508 118 Q HN -0.352 7.769 8.270 -0.248 0.000 0.459 119 K N 1.171 121.509 120.400 -0.103 0.000 2.152 119 K HA -0.252 nan 4.320 nan 0.000 0.206 119 K C 0.443 176.968 176.600 -0.125 0.000 1.048 119 K CA 2.292 58.545 56.287 -0.056 0.000 0.933 119 K CB -0.144 32.355 32.500 -0.002 0.000 0.721 119 K HN 0.376 8.585 8.250 -0.069 0.000 0.447 120 G N -3.826 104.851 108.800 -0.207 0.000 3.277 120 G HA2 0.207 nan 3.960 nan 0.000 0.243 120 G HA3 0.207 nan 3.960 nan 0.000 0.243 120 G C -1.642 173.002 174.900 -0.428 0.000 1.107 120 G CA -0.368 44.605 45.100 -0.212 0.000 0.771 120 G HN -0.249 8.027 8.290 -0.183 -0.095 0.544 121 R N 0.197 120.298 120.500 -0.666 0.000 2.561 121 R HA 0.467 nan 4.340 nan 0.000 0.297 121 R C -1.709 174.061 176.300 -0.883 0.000 0.969 121 R CA -0.865 54.850 56.100 -0.641 0.000 0.879 121 R CB 3.137 33.231 30.300 -0.344 0.000 1.178 121 R HN -0.439 7.271 8.270 -0.625 0.184 0.445 122 Y N 0.838 121.132 120.300 -0.009 0.000 2.665 122 Y HA 0.464 nan 4.550 nan 0.000 0.336 122 Y C -0.358 175.609 175.900 0.112 0.000 1.085 122 Y CA -1.146 56.993 58.100 0.067 0.000 1.096 122 Y CB 3.127 41.666 38.460 0.132 0.000 1.301 122 Y HN 0.264 8.376 8.280 -0.280 0.000 0.493 123 R N -3.295 117.385 120.500 0.299 0.000 2.237 123 R HA 0.108 nan 4.340 nan 0.000 0.195 123 R C -0.214 176.248 176.300 0.270 0.000 0.956 123 R CA 1.004 57.273 56.100 0.283 0.000 1.029 123 R CB 1.769 32.197 30.300 0.213 0.000 0.972 123 R HN 0.592 8.934 8.270 0.305 0.112 0.493 124 Q N -0.294 119.607 119.800 0.169 0.000 2.320 124 Q HA 0.489 nan 4.340 nan 0.000 0.268 124 Q C -1.780 174.187 176.000 -0.055 0.000 1.023 124 Q CA -0.952 54.728 55.803 -0.204 0.000 0.744 124 Q CB 2.644 31.254 28.738 -0.213 0.000 1.246 124 Q HN -0.875 7.537 8.270 0.236 0.000 0.462 125 F N 2.729 122.461 119.950 -0.364 0.000 2.640 125 F HA 0.783 nan 4.527 nan 0.000 0.324 125 F C -2.368 173.153 175.800 -0.465 0.000 1.077 125 F CA -2.849 55.051 58.000 -0.167 0.000 0.965 125 F CB 2.520 41.585 39.000 0.108 0.000 1.351 125 F HN 0.745 8.585 8.300 -0.767 0.000 0.487 126 H N -1.882 117.303 119.070 0.193 0.000 2.538 126 H HA 0.643 nan 4.556 nan 0.000 0.353 126 H C -1.211 174.254 175.328 0.228 0.000 1.109 126 H CA -1.122 54.989 56.048 0.105 0.000 1.192 126 H CB 2.512 32.373 29.762 0.165 0.000 1.555 126 H HN 0.233 9.170 8.280 0.552 -0.326 0.518 127 Q N 0.747 120.718 119.800 0.285 0.000 2.387 127 Q HA 0.803 nan 4.340 nan 0.000 0.273 127 Q C -2.347 173.848 176.000 0.324 0.000 1.089 127 Q CA -1.682 54.317 55.803 0.328 0.000 0.824 127 Q CB 4.378 33.329 28.738 0.356 0.000 1.367 127 Q HN 0.687 9.077 8.270 0.200 0.000 0.443 128 L N 1.829 123.214 121.223 0.269 0.000 2.343 128 L HA 0.768 nan 4.340 nan 0.000 0.278 128 L C -2.062 174.897 176.870 0.148 0.000 0.996 128 L CA -1.609 53.352 54.840 0.201 0.000 0.831 128 L CB 2.555 44.653 42.059 0.065 0.000 1.232 128 L HN 0.421 8.815 8.230 0.272 0.000 0.413 129 G N 4.112 112.830 108.800 -0.137 0.000 2.605 129 G HA2 0.638 nan 3.960 nan 0.000 0.296 129 G HA3 0.638 nan 3.960 nan 0.000 0.296 129 G C -2.743 171.754 174.900 -0.673 0.000 1.304 129 G CA -0.836 43.999 45.100 -0.442 0.000 0.941 129 G HN 0.604 8.762 8.290 -0.219 0.000 0.475 130 C N -0.282 118.608 119.300 -0.682 0.000 2.547 130 C HA 0.731 nan 4.460 nan 0.000 0.313 130 C C -1.544 173.343 174.990 -0.171 0.000 1.191 130 C CA -0.854 57.940 59.018 -0.373 0.000 1.474 130 C CB 2.867 30.353 27.740 -0.423 0.000 2.081 130 C HN 0.746 8.493 8.230 -0.805 0.000 0.476 131 E N 2.082 122.286 120.200 0.007 0.000 2.278 131 E HA 0.618 nan 4.350 nan 0.000 0.272 131 E C -2.199 174.322 176.600 -0.132 0.000 0.890 131 E CA -1.248 55.148 56.400 -0.008 0.000 0.770 131 E CB 3.052 32.872 29.700 0.199 0.000 1.212 131 E HN 0.292 8.694 8.360 0.070 0.000 0.415 132 V N 3.169 122.870 119.914 -0.353 0.000 2.487 132 V HA 0.750 nan 4.120 nan 0.000 0.298 132 V C -1.699 174.038 176.094 -0.594 0.000 1.028 132 V CA -0.954 61.164 62.300 -0.303 0.000 0.860 132 V CB 1.745 33.483 31.823 -0.141 0.000 0.991 132 V HN 0.571 8.548 8.190 -0.356 0.000 0.427 133 F N 4.178 124.104 119.950 -0.039 0.000 2.522 133 F HA 0.609 nan 4.527 nan 0.000 0.324 133 F C 0.608 176.385 175.800 -0.038 0.000 1.077 133 F CA -1.958 56.015 58.000 -0.045 0.000 0.944 133 F CB 2.887 41.879 39.000 -0.014 0.000 1.175 133 F HN 0.640 8.918 8.300 0.144 0.109 0.468 134 G N 1.300 110.177 108.800 0.128 0.000 2.175 134 G HA2 -0.407 nan 3.960 nan 0.000 0.244 134 G HA3 -0.407 nan 3.960 nan 0.000 0.244 134 G C -1.303 173.614 174.900 0.029 0.000 0.982 134 G CA 0.211 45.355 45.100 0.074 0.000 0.641 134 G HN 0.541 8.902 8.290 0.118 0.000 0.527 135 L N -0.060 121.165 121.223 0.004 0.000 2.349 135 L HA 0.217 nan 4.340 nan 0.000 0.278 135 L C -0.274 176.606 176.870 0.016 0.000 0.996 135 L CA -1.490 53.353 54.840 0.005 0.000 0.825 135 L CB 0.914 42.971 42.059 -0.003 0.000 1.243 135 L HN -0.495 7.676 8.230 -0.019 0.047 0.412 136 Q N 4.066 123.891 119.800 0.042 0.000 2.123 136 Q HA -0.078 nan 4.340 nan 0.000 0.193 136 Q C 0.772 176.875 176.000 0.173 0.000 0.981 136 Q CA 1.408 57.268 55.803 0.095 0.000 0.833 136 Q CB 0.457 29.250 28.738 0.091 0.000 0.914 136 Q HN 0.524 8.814 8.270 0.034 0.000 0.484 137 G N -0.807 108.038 108.800 0.075 0.000 2.852 137 G HA2 -0.186 nan 3.960 nan 0.000 0.228 137 G HA3 -0.186 nan 3.960 nan 0.000 0.228 137 G C -0.690 174.107 174.900 -0.172 0.000 1.227 137 G CA -1.253 43.811 45.100 -0.060 0.000 0.854 137 G HN -0.044 8.276 8.290 0.051 0.000 0.573 138 P HA -0.107 nan 4.420 nan 0.000 0.234 138 P C -0.288 176.902 177.300 -0.183 0.000 1.167 138 P CA 1.427 64.267 63.100 -0.434 0.000 0.763 138 P CB 0.014 31.357 31.700 -0.595 0.000 0.835 139 D N -0.681 119.636 120.400 -0.138 0.000 2.144 139 D HA -0.268 nan 4.640 nan 0.000 0.199 139 D C 1.572 177.845 176.300 -0.044 0.000 0.984 139 D CA 2.412 56.362 54.000 -0.083 0.000 0.834 139 D CB -1.484 39.279 40.800 -0.062 0.000 0.955 139 D HN 0.041 8.247 8.370 -0.150 0.074 0.465 140 I N -0.361 120.196 120.570 -0.021 0.000 2.439 140 I HA -0.290 nan 4.170 nan 0.000 0.251 140 I C 0.521 176.645 176.117 0.012 0.000 1.139 140 I CA 1.583 62.891 61.300 0.012 0.000 1.438 140 I CB -0.021 37.990 38.000 0.018 0.000 1.085 140 I HN -0.793 7.402 8.210 -0.026 0.000 0.427 141 D N 0.353 120.753 120.400 -0.001 0.000 2.144 141 D HA -0.325 nan 4.640 nan 0.000 0.199 141 D C 2.128 178.357 176.300 -0.118 0.000 0.984 141 D CA 4.121 58.109 54.000 -0.019 0.000 0.834 141 D CB -0.793 40.019 40.800 0.019 0.000 0.955 141 D HN -0.200 8.067 8.370 -0.003 0.101 0.465 142 A N -0.876 121.875 122.820 -0.115 0.000 1.930 142 A HA -0.218 nan 4.320 nan 0.000 0.217 142 A C 1.648 179.167 177.584 -0.108 0.000 1.175 142 A CA 3.081 55.035 52.037 -0.139 0.000 0.627 142 A CB -0.650 18.277 19.000 -0.122 0.000 0.815 142 A HN -0.235 7.764 8.150 -0.094 0.095 0.443 143 E N -0.239 119.930 120.200 -0.052 0.000 2.051 143 E HA -0.334 nan 4.350 nan 0.000 0.192 143 E C 2.314 178.846 176.600 -0.114 0.000 0.991 143 E CA 2.995 59.386 56.400 -0.015 0.000 0.799 143 E CB -0.123 29.626 29.700 0.082 0.000 0.748 143 E HN -0.593 7.662 8.360 -0.035 0.084 0.449 144 L N -1.613 119.560 121.223 -0.084 0.000 2.042 144 L HA -0.378 nan 4.340 nan 0.000 0.210 144 L C 2.431 179.138 176.870 -0.272 0.000 1.076 144 L CA 3.114 57.895 54.840 -0.099 0.000 0.749 144 L CB -0.169 41.962 42.059 0.120 0.000 0.893 144 L HN -0.287 7.925 8.230 -0.029 0.000 0.432 145 I N -1.196 119.200 120.570 -0.290 0.000 2.286 145 I HA -0.563 nan 4.170 nan 0.000 0.248 145 I C 1.820 177.818 176.117 -0.199 0.000 1.115 145 I CA 4.192 65.335 61.300 -0.262 0.000 1.392 145 I CB 0.089 37.906 38.000 -0.304 0.000 1.065 145 I HN -0.569 7.483 8.210 -0.264 0.000 0.418 146 M N -0.552 118.925 119.600 -0.204 0.000 2.159 146 M HA -0.431 nan 4.480 nan 0.000 0.263 146 M C 2.125 178.212 176.300 -0.354 0.000 1.063 146 M CA 4.250 59.444 55.300 -0.176 0.000 1.110 146 M CB -0.040 32.520 32.600 -0.067 0.000 1.374 146 M HN -0.187 7.914 8.290 -0.185 0.078 0.411 147 L N -0.955 119.902 121.223 -0.610 0.000 1.994 147 L HA -0.448 nan 4.340 nan 0.000 0.208 147 L C 1.674 177.791 176.870 -1.255 0.000 1.071 147 L CA 3.596 57.770 54.840 -1.111 0.000 0.745 147 L CB -0.025 41.233 42.059 -1.334 0.000 0.892 147 L HN 0.239 8.053 8.230 -0.515 0.107 0.431 148 T N -3.509 110.319 114.554 -1.209 0.000 2.788 148 T HA -0.348 nan 4.350 nan 0.000 0.268 148 T C 1.708 175.406 174.700 -1.670 0.000 1.044 148 T CA 3.741 64.940 62.100 -1.502 0.000 1.139 148 T CB -0.702 67.395 68.868 -1.284 0.000 0.867 148 T HN -0.362 7.320 8.240 -0.931 0.000 0.454 149 A N 2.125 124.346 122.820 -0.998 0.000 1.933 149 A HA -0.300 nan 4.320 nan 0.000 0.218 149 A C 1.663 178.973 177.584 -0.456 0.000 1.175 149 A CA 2.984 54.626 52.037 -0.658 0.000 0.628 149 A CB -0.967 17.949 19.000 -0.140 0.000 0.814 149 A HN -0.123 7.618 8.150 -0.664 0.010 0.444 150 R N -1.295 118.953 120.500 -0.422 0.000 2.092 150 R HA -0.278 nan 4.340 nan 0.000 0.231 150 R C 1.963 178.191 176.300 -0.121 0.000 1.119 150 R CA 3.257 59.233 56.100 -0.207 0.000 0.970 150 R CB -0.036 30.171 30.300 -0.156 0.000 0.864 150 R HN -0.489 7.358 8.270 -0.525 0.108 0.440 151 W N -1.249 119.743 121.300 -0.513 0.000 2.355 151 W HA -0.260 nan 4.660 nan 0.000 0.309 151 W C 2.245 178.649 176.519 -0.192 0.000 1.206 151 W CA 2.595 59.671 57.345 -0.449 0.000 1.284 151 W CB -0.864 28.131 29.460 -0.776 0.000 1.145 151 W HN -0.540 7.183 8.180 -0.579 0.110 0.502 152 W N -3.145 118.148 121.300 -0.011 0.000 2.338 152 W HA -0.561 nan 4.660 nan 0.000 0.304 152 W C 2.298 178.795 176.519 -0.036 0.000 1.212 152 W CA 1.825 59.114 57.345 -0.094 0.000 1.264 152 W CB -0.523 28.825 29.460 -0.187 0.000 1.142 152 W HN -0.135 7.578 8.180 -0.656 0.073 0.512 153 R N -1.859 118.740 120.500 0.165 0.000 2.066 153 R HA -0.368 nan 4.340 nan 0.000 0.232 153 R C 3.124 179.485 176.300 0.101 0.000 1.131 153 R CA 3.148 59.316 56.100 0.113 0.000 0.955 153 R CB -0.306 30.033 30.300 0.065 0.000 0.851 153 R HN -0.224 8.027 8.270 0.088 0.071 0.432 154 A N 0.389 123.266 122.820 0.095 0.000 1.917 154 A HA -0.184 nan 4.320 nan 0.000 0.219 154 A C 1.535 179.184 177.584 0.108 0.000 1.182 154 A CA 2.669 54.762 52.037 0.093 0.000 0.633 154 A CB -0.502 18.557 19.000 0.098 0.000 0.819 154 A HN 0.162 8.253 8.150 0.087 0.111 0.448 155 L N -5.345 115.936 121.223 0.096 0.000 2.558 155 L HA -0.028 nan 4.340 nan 0.000 0.225 155 L C 0.448 177.344 176.870 0.044 0.000 1.128 155 L CA -0.090 54.776 54.840 0.044 0.000 0.868 155 L CB 0.261 42.283 42.059 -0.062 0.000 1.006 155 L HN -0.160 8.132 8.230 0.117 0.008 0.454 156 G N -0.563 108.289 108.800 0.087 0.000 2.256 156 G HA2 -0.320 nan 3.960 nan 0.000 0.272 156 G HA3 -0.320 nan 3.960 nan 0.000 0.272 156 G C -0.056 174.874 174.900 0.051 0.000 1.076 156 G CA 0.876 46.024 45.100 0.080 0.000 0.882 156 G HN -0.360 7.815 8.290 0.109 0.180 0.497 157 I N -9.564 111.044 120.570 0.064 0.000 4.160 157 I HA 0.482 nan 4.170 nan 0.000 0.325 157 I C 0.539 176.699 176.117 0.073 0.000 1.455 157 I CA -1.506 59.810 61.300 0.027 0.000 1.142 157 I CB 0.890 38.817 38.000 -0.123 0.000 1.262 157 I HN -0.320 7.956 8.210 0.111 0.000 0.483 158 S N 2.970 118.757 115.700 0.144 0.000 2.383 158 S HA -0.327 nan 4.470 nan 0.000 0.229 158 S C 1.864 176.525 174.600 0.100 0.000 1.030 158 S CA 3.382 61.681 58.200 0.165 0.000 1.002 158 S CB -0.491 62.829 63.200 0.201 0.000 0.829 158 S HN -0.306 8.098 8.310 0.157 0.000 0.467 159 E N 1.504 121.763 120.200 0.098 0.000 2.209 159 E HA -0.221 nan 4.350 nan 0.000 0.196 159 E C 0.534 176.995 176.600 -0.231 0.000 0.993 159 E CA 2.194 58.563 56.400 -0.051 0.000 0.819 159 E CB -0.352 29.298 29.700 -0.083 0.000 0.745 159 E HN 0.307 8.740 8.360 0.148 0.017 0.477 160 H N -3.347 115.687 119.070 -0.061 0.000 2.503 160 H HA 0.265 nan 4.556 nan 0.000 0.296 160 H C -1.270 173.976 175.328 -0.137 0.000 1.097 160 H CA -0.417 55.578 56.048 -0.088 0.000 1.055 160 H CB 0.393 30.094 29.762 -0.101 0.000 1.580 160 H HN -0.410 7.825 8.280 0.213 0.173 0.546 161 V N -6.098 113.792 119.914 -0.041 0.000 2.808 161 V HA 0.504 nan 4.120 nan 0.000 0.308 161 V C -1.055 175.161 176.094 0.203 0.000 1.099 161 V CA -1.525 60.756 62.300 -0.032 0.000 0.920 161 V CB 2.122 33.678 31.823 -0.445 0.000 1.014 161 V HN -0.691 7.435 8.190 -0.009 0.059 0.425 162 T N 4.773 119.451 114.554 0.206 0.000 2.912 162 T HA 0.502 nan 4.350 nan 0.000 0.288 162 T C -2.186 172.509 174.700 -0.008 0.000 1.030 162 T CA -1.334 60.839 62.100 0.121 0.000 1.020 162 T CB 2.150 71.040 68.868 0.035 0.000 1.056 162 T HN 0.642 8.872 8.240 0.160 0.107 0.480 163 L N 2.567 123.639 121.223 -0.251 0.000 2.322 163 L HA 0.764 nan 4.340 nan 0.000 0.281 163 L C -2.174 174.566 176.870 -0.216 0.000 1.014 163 L CA -1.593 52.905 54.840 -0.570 0.000 0.815 163 L CB 2.666 44.142 42.059 -0.972 0.000 1.247 163 L HN 0.459 8.607 8.230 -0.137 0.000 0.421 164 E N 4.837 124.944 120.200 -0.155 0.000 2.222 164 E HA 0.665 nan 4.350 nan 0.000 0.267 164 E C -1.742 174.872 176.600 0.024 0.000 0.884 164 E CA -1.368 55.017 56.400 -0.025 0.000 0.764 164 E CB 3.275 32.968 29.700 -0.013 0.000 1.169 164 E HN 0.640 8.878 8.360 -0.203 0.000 0.413 165 L N 2.010 123.287 121.223 0.091 0.000 2.257 165 L HA 0.793 nan 4.340 nan 0.000 0.257 165 L C -2.057 174.908 176.870 0.159 0.000 1.033 165 L CA -1.005 53.929 54.840 0.157 0.000 0.835 165 L CB 3.992 46.154 42.059 0.171 0.000 1.398 165 L HN 0.624 8.928 8.230 0.124 0.000 0.429 166 N N -2.366 116.401 118.700 0.113 0.000 3.452 166 N HA 0.093 nan 4.740 nan 0.000 0.231 166 N C -3.162 172.103 175.510 -0.408 0.000 1.264 166 N CA 0.412 53.342 53.050 -0.200 0.000 0.928 166 N CB 2.900 41.309 38.487 -0.130 0.000 1.547 166 N HN -0.088 8.416 8.380 0.206 0.000 0.509 167 S N 0.548 115.779 115.700 -0.782 0.000 2.454 167 S HA 0.424 nan 4.470 nan 0.000 0.306 167 S C -0.486 173.931 174.600 -0.305 0.000 1.100 167 S CA -1.357 56.524 58.200 -0.531 0.000 1.087 167 S CB 0.801 63.604 63.200 -0.661 0.000 1.019 167 S HN 0.178 7.945 8.310 -0.904 0.000 0.480 168 I N 7.926 128.399 120.570 -0.162 0.000 3.928 168 I HA 0.119 nan 4.170 nan 0.000 0.335 168 I C -0.207 175.870 176.117 -0.066 0.000 1.325 168 I CA -1.828 59.409 61.300 -0.104 0.000 1.107 168 I CB 0.906 38.884 38.000 -0.037 0.000 1.014 168 I HN 0.920 8.935 8.210 -0.115 0.125 0.400 169 G N -0.068 108.684 108.800 -0.079 0.000 2.591 169 G HA2 -0.466 nan 3.960 nan 0.000 0.278 169 G HA3 -0.466 nan 3.960 nan 0.000 0.278 169 G C -1.189 173.707 174.900 -0.006 0.000 1.293 169 G CA 0.311 45.385 45.100 -0.042 0.000 0.930 169 G HN -0.539 7.599 8.290 -0.117 0.082 0.562 170 S N -1.388 114.318 115.700 0.011 0.000 2.672 170 S HA 0.184 nan 4.470 nan 0.000 0.276 170 S C 1.421 176.045 174.600 0.041 0.000 1.207 170 S CA -1.710 56.507 58.200 0.028 0.000 1.002 170 S CB 2.218 65.436 63.200 0.029 0.000 0.998 170 S HN -0.350 8.190 8.310 0.012 -0.223 0.542 171 L N 2.812 124.064 121.223 0.048 0.000 1.956 171 L HA -0.457 nan 4.340 nan 0.000 0.216 171 L C 1.808 178.708 176.870 0.050 0.000 1.073 171 L CA 3.846 58.717 54.840 0.051 0.000 0.762 171 L CB -0.529 41.560 42.059 0.051 0.000 0.889 171 L HN 0.585 8.844 8.230 0.048 0.000 0.433 172 E N -1.800 118.429 120.200 0.049 0.000 2.070 172 E HA -0.403 nan 4.350 nan 0.000 0.197 172 E C 1.335 177.975 176.600 0.067 0.000 1.004 172 E CA 3.302 59.734 56.400 0.053 0.000 0.805 172 E CB -0.804 28.926 29.700 0.050 0.000 0.744 172 E HN 0.477 8.864 8.360 0.046 0.000 0.451 173 A N -2.498 120.365 122.820 0.072 0.000 1.908 173 A HA -0.306 nan 4.320 nan 0.000 0.218 173 A C 2.116 179.759 177.584 0.098 0.000 1.181 173 A CA 2.642 54.740 52.037 0.101 0.000 0.627 173 A CB -0.449 18.601 19.000 0.084 0.000 0.818 173 A HN -0.630 7.556 8.150 0.060 0.000 0.445 174 R N -1.622 118.918 120.500 0.068 0.000 2.081 174 R HA -0.324 nan 4.340 nan 0.000 0.235 174 R C 2.045 178.383 176.300 0.064 0.000 1.131 174 R CA 3.052 59.195 56.100 0.071 0.000 0.960 174 R CB 0.073 30.409 30.300 0.060 0.000 0.856 174 R HN -0.065 8.154 8.270 0.058 0.086 0.436 175 A N -4.076 118.775 122.820 0.052 0.000 2.272 175 A HA -0.146 nan 4.320 nan 0.000 0.213 175 A C 0.894 178.496 177.584 0.031 0.000 1.183 175 A CA 2.188 54.246 52.037 0.036 0.000 0.719 175 A CB -1.005 18.018 19.000 0.038 0.000 0.771 175 A HN 0.359 8.355 8.150 0.055 0.186 0.484 176 N N -2.170 116.557 118.700 0.046 0.000 2.564 176 N HA 0.117 nan 4.740 nan 0.000 0.202 176 N C 1.115 176.558 175.510 -0.111 0.000 1.052 176 N CA 1.838 54.924 53.050 0.059 0.000 0.872 176 N CB 1.497 40.110 38.487 0.210 0.000 1.303 176 N HN -0.415 7.764 8.380 0.062 0.239 0.440 177 Y N 3.097 123.158 120.300 -0.398 0.000 2.224 177 Y HA -0.391 nan 4.550 nan 0.000 0.289 177 Y C 1.414 177.100 175.900 -0.356 0.000 1.146 177 Y CA 3.546 61.207 58.100 -0.731 0.000 1.182 177 Y CB 0.152 38.289 38.460 -0.538 0.000 0.983 177 Y HN -0.171 8.022 8.280 -0.012 0.079 0.524 178 R N -2.040 118.323 120.500 -0.229 0.000 2.113 178 R HA -0.483 nan 4.340 nan 0.000 0.231 178 R C 1.836 178.009 176.300 -0.212 0.000 1.129 178 R CA 4.626 60.601 56.100 -0.209 0.000 0.915 178 R CB -0.685 29.572 30.300 -0.073 0.000 0.837 178 R HN 0.270 8.483 8.270 -0.076 0.011 0.430 179 D N -1.385 118.942 120.400 -0.121 0.000 2.204 179 D HA -0.426 nan 4.640 nan 0.000 0.189 179 D C 2.078 178.324 176.300 -0.091 0.000 1.006 179 D CA 3.231 57.187 54.000 -0.073 0.000 0.855 179 D CB -0.782 40.006 40.800 -0.021 0.000 0.946 179 D HN -0.112 8.206 8.370 -0.086 0.000 0.448 180 A N -1.291 121.444 122.820 -0.141 0.000 1.877 180 A HA -0.213 nan 4.320 nan 0.000 0.216 180 A C 2.395 179.877 177.584 -0.170 0.000 1.186 180 A CA 2.873 54.842 52.037 -0.113 0.000 0.620 180 A CB -0.336 18.601 19.000 -0.104 0.000 0.822 180 A HN -0.668 7.377 8.150 -0.175 0.000 0.443 181 L N -1.782 119.196 121.223 -0.407 0.000 2.093 181 L HA -0.308 nan 4.340 nan 0.000 0.208 181 L C 2.268 179.080 176.870 -0.097 0.000 1.085 181 L CA 3.034 57.645 54.840 -0.381 0.000 0.755 181 L CB 0.068 41.666 42.059 -0.767 0.000 0.904 181 L HN 0.191 7.898 8.230 -0.556 0.189 0.435 182 V N -0.562 119.289 119.914 -0.106 0.000 2.261 182 V HA -0.522 nan 4.120 nan 0.000 0.246 182 V C 1.679 177.776 176.094 0.006 0.000 1.047 182 V CA 4.631 66.908 62.300 -0.038 0.000 1.015 182 V CB -1.137 30.659 31.823 -0.045 0.000 0.642 182 V HN 0.530 8.511 8.190 -0.164 0.111 0.446 183 A N -0.492 122.334 122.820 0.010 0.000 1.997 183 A HA -0.323 nan 4.320 nan 0.000 0.221 183 A C 1.922 179.552 177.584 0.076 0.000 1.172 183 A CA 3.082 55.140 52.037 0.035 0.000 0.645 183 A CB -0.707 18.318 19.000 0.042 0.000 0.813 183 A HN -0.008 8.132 8.150 -0.017 0.000 0.454 184 F N -2.206 117.723 119.950 -0.034 0.000 2.293 184 F HA -0.204 nan 4.527 nan 0.000 0.297 184 F C 0.460 176.288 175.800 0.046 0.000 1.089 184 F CA 2.512 60.511 58.000 -0.000 0.000 1.377 184 F CB 0.697 39.658 39.000 -0.064 0.000 1.051 184 F HN -0.643 7.647 8.300 0.195 0.126 0.511 185 L N -1.910 119.286 121.223 -0.045 0.000 2.179 185 L HA -0.382 nan 4.340 nan 0.000 0.208 185 L C 2.566 179.379 176.870 -0.095 0.000 1.096 185 L CA 2.626 57.406 54.840 -0.100 0.000 0.779 185 L CB -0.378 41.688 42.059 0.012 0.000 0.922 185 L HN -0.169 7.994 8.230 0.088 0.119 0.443 186 E N -0.068 120.091 120.200 -0.068 0.000 2.150 186 E HA -0.345 nan 4.350 nan 0.000 0.193 186 E C 1.388 177.929 176.600 -0.098 0.000 0.985 186 E CA 2.506 58.868 56.400 -0.063 0.000 0.814 186 E CB -0.428 29.248 29.700 -0.040 0.000 0.752 186 E HN -0.148 8.185 8.360 -0.044 0.000 0.466 187 Q N -3.102 116.622 119.800 -0.127 0.000 2.373 187 Q HA -0.032 nan 4.340 nan 0.000 0.206 187 Q C -0.539 175.212 176.000 -0.414 0.000 0.942 187 Q CA 0.665 56.354 55.803 -0.191 0.000 0.953 187 Q CB 0.236 28.901 28.738 -0.122 0.000 1.022 187 Q HN -0.047 8.040 8.270 -0.121 0.110 0.502 224 A N 3.255 126.181 122.820 0.177 0.000 2.286 224 A HA 0.250 nan 4.320 nan 0.000 0.286 224 A C -0.754 176.854 177.584 0.041 0.000 1.097 224 A CA -0.748 51.344 52.037 0.091 0.000 0.821 224 A CB 1.603 20.623 19.000 0.033 0.000 1.076 224 A HN 0.367 8.613 8.150 0.159 0.000 0.490 225 L N 1.076 122.127 121.223 -0.288 0.000 2.145 225 L HA 0.060 nan 4.340 nan 0.000 0.201 225 L C 2.259 179.044 176.870 -0.141 0.000 1.075 225 L CA 1.597 56.122 54.840 -0.524 0.000 0.773 225 L CB 0.337 42.004 42.059 -0.654 0.000 0.936 225 L HN 0.210 8.393 8.230 -0.235 -0.094 0.451 226 G N -0.925 107.806 108.800 -0.116 0.000 2.547 226 G HA2 -0.476 nan 3.960 nan 0.000 0.221 226 G HA3 -0.476 nan 3.960 nan 0.000 0.221 226 G C 1.188 176.078 174.900 -0.016 0.000 1.140 226 G CA 2.628 47.685 45.100 -0.072 0.000 0.760 226 G HN 0.570 9.172 8.290 -0.145 -0.400 0.583 227 D N 1.130 121.539 120.400 0.015 0.000 2.411 227 D HA -0.214 nan 4.640 nan 0.000 0.226 227 D C 0.817 176.971 176.300 -0.243 0.000 0.988 227 D CA 1.852 55.798 54.000 -0.089 0.000 0.938 227 D CB -0.820 39.914 40.800 -0.111 0.000 0.883 227 D HN 0.190 8.569 8.370 0.038 0.014 0.525 228 Y N -4.406 115.872 120.300 -0.036 0.000 2.563 228 Y HA 0.059 nan 4.550 nan 0.000 0.250 228 Y C -0.518 175.366 175.900 -0.027 0.000 1.126 228 Y CA -0.678 57.418 58.100 -0.006 0.000 1.231 228 Y CB 1.634 40.116 38.460 0.037 0.000 1.288 228 Y HN -0.209 7.971 8.280 0.188 0.213 0.537 229 L N 2.860 124.124 121.223 0.069 0.000 2.477 229 L HA -0.175 nan 4.340 nan 0.000 0.272 229 L C 0.131 177.017 176.870 0.026 0.000 1.157 229 L CA 0.640 55.490 54.840 0.018 0.000 0.889 229 L CB -0.124 41.915 42.059 -0.033 0.000 1.158 229 L HN -0.181 7.946 8.230 0.044 0.129 0.473 230 D N 4.320 124.740 120.400 0.034 0.000 2.443 230 D HA -0.229 nan 4.640 nan 0.000 0.234 230 D C 0.653 176.972 176.300 0.033 0.000 1.172 230 D CA -0.341 53.679 54.000 0.034 0.000 0.878 230 D CB 0.991 41.813 40.800 0.036 0.000 1.204 230 D HN 0.141 8.532 8.370 0.036 0.000 0.453 231 E N 1.531 121.750 120.200 0.031 0.000 2.097 231 E HA -0.378 nan 4.350 nan 0.000 0.196 231 E C 2.137 178.768 176.600 0.051 0.000 1.000 231 E CA 3.422 59.844 56.400 0.036 0.000 0.804 231 E CB -0.243 29.474 29.700 0.029 0.000 0.740 231 E HN 0.344 8.720 8.360 0.028 0.000 0.454 232 E N -2.359 117.871 120.200 0.051 0.000 2.085 232 E HA -0.252 nan 4.350 nan 0.000 0.194 232 E C 2.734 179.388 176.600 0.090 0.000 0.994 232 E CA 3.274 59.714 56.400 0.066 0.000 0.801 232 E CB -0.596 29.136 29.700 0.053 0.000 0.743 232 E HN 0.515 8.895 8.360 0.042 0.005 0.453 233 S N -0.322 115.416 115.700 0.065 0.000 2.406 233 S HA -0.245 nan 4.470 nan 0.000 0.228 233 S C 2.195 176.873 174.600 0.129 0.000 1.020 233 S CA 2.965 61.203 58.200 0.063 0.000 0.965 233 S CB -0.226 62.978 63.200 0.006 0.000 0.798 233 S HN -0.685 7.708 8.310 0.047 -0.055 0.488 234 R N 1.708 122.274 120.500 0.109 0.000 2.073 234 R HA -0.292 nan 4.340 nan 0.000 0.229 234 R C 2.187 178.586 176.300 0.164 0.000 1.120 234 R CA 3.806 59.992 56.100 0.142 0.000 0.967 234 R CB -0.036 30.318 30.300 0.090 0.000 0.862 234 R HN -0.255 7.942 8.270 0.078 0.119 0.436 235 E N -0.823 119.453 120.200 0.126 0.000 2.051 235 E HA -0.394 nan 4.350 nan 0.000 0.192 235 E C 2.258 178.927 176.600 0.115 0.000 0.991 235 E CA 3.291 59.749 56.400 0.097 0.000 0.799 235 E CB -0.337 29.408 29.700 0.075 0.000 0.748 235 E HN -0.142 8.284 8.360 0.110 0.000 0.449 236 H N 0.515 119.625 119.070 0.066 0.000 2.319 236 H HA -0.255 nan 4.556 nan 0.000 0.299 236 H C 2.090 177.469 175.328 0.085 0.000 1.092 236 H CA 3.555 59.641 56.048 0.064 0.000 1.302 236 H CB 0.352 30.160 29.762 0.077 0.000 1.373 236 H HN -0.693 7.744 8.280 0.261 0.000 0.497 237 F N -0.002 120.054 119.950 0.176 0.000 2.186 237 F HA -0.308 nan 4.527 nan 0.000 0.299 237 F C 1.181 176.979 175.800 -0.002 0.000 1.090 237 F CA 2.784 60.832 58.000 0.081 0.000 1.307 237 F CB -0.223 38.805 39.000 0.047 0.000 1.019 237 F HN -0.240 8.321 8.300 0.436 0.000 0.489 238 A N -1.090 121.722 122.820 -0.014 0.000 1.898 238 A HA -0.267 nan 4.320 nan 0.000 0.216 238 A C 2.000 179.490 177.584 -0.157 0.000 1.181 238 A CA 3.167 55.139 52.037 -0.107 0.000 0.620 238 A CB -0.990 18.008 19.000 -0.002 0.000 0.819 238 A HN 0.323 8.554 8.150 0.135 0.000 0.442 239 G N -0.992 107.734 108.800 -0.124 0.000 2.446 239 G HA2 -0.371 nan 3.960 nan 0.000 0.217 239 G HA3 -0.371 nan 3.960 nan 0.000 0.217 239 G C 1.005 175.778 174.900 -0.210 0.000 1.168 239 G CA 1.901 46.910 45.100 -0.152 0.000 0.771 239 G HN 0.087 8.335 8.290 -0.069 0.000 0.551 240 L N 0.892 121.957 121.223 -0.264 0.000 1.989 240 L HA -0.400 nan 4.340 nan 0.000 0.211 240 L C 1.795 178.429 176.870 -0.393 0.000 1.071 240 L CA 3.183 57.838 54.840 -0.309 0.000 0.749 240 L CB -0.051 41.829 42.059 -0.300 0.000 0.890 240 L HN -0.238 7.852 8.230 -0.233 0.000 0.431 241 C N -2.512 116.476 119.300 -0.520 0.000 2.413 241 C HA -0.462 nan 4.460 nan 0.000 0.276 241 C C 2.045 176.907 174.990 -0.214 0.000 1.248 241 C CA 4.130 62.843 59.018 -0.509 0.000 1.742 241 C CB -1.666 25.782 27.740 -0.486 0.000 2.017 241 C HN -0.020 7.802 8.230 -0.578 0.061 0.481 242 K N 0.436 120.740 120.400 -0.160 0.000 2.148 242 K HA -0.296 nan 4.320 nan 0.000 0.204 242 K C 2.210 178.760 176.600 -0.082 0.000 1.050 242 K CA 2.976 59.214 56.287 -0.083 0.000 0.942 242 K CB -0.869 31.589 32.500 -0.071 0.000 0.724 242 K HN 0.068 8.125 8.250 -0.191 0.079 0.446 243 L N -0.426 120.724 121.223 -0.122 0.000 2.046 243 L HA -0.344 nan 4.340 nan 0.000 0.208 243 L C 2.481 179.298 176.870 -0.089 0.000 1.077 243 L CA 2.899 57.676 54.840 -0.105 0.000 0.747 243 L CB -0.214 41.768 42.059 -0.129 0.000 0.896 243 L HN -0.036 8.014 8.230 -0.160 0.084 0.432 244 L N -1.602 119.548 121.223 -0.121 0.000 2.056 244 L HA -0.372 nan 4.340 nan 0.000 0.207 244 L C 2.072 178.960 176.870 0.030 0.000 1.078 244 L CA 2.818 57.614 54.840 -0.075 0.000 0.749 244 L CB -0.965 40.987 42.059 -0.179 0.000 0.901 244 L HN -0.234 7.885 8.230 -0.185 0.000 0.433 245 E N -1.090 119.153 120.200 0.072 0.000 2.118 245 E HA -0.394 nan 4.350 nan 0.000 0.195 245 E C 3.176 179.791 176.600 0.025 0.000 0.992 245 E CA 3.068 59.516 56.400 0.081 0.000 0.804 245 E CB -0.460 29.283 29.700 0.072 0.000 0.741 245 E HN -0.266 8.119 8.360 0.042 0.000 0.458 246 S N 0.356 116.057 115.700 0.002 0.000 2.387 246 S HA -0.175 nan 4.470 nan 0.000 0.226 246 S C 1.169 175.766 174.600 -0.006 0.000 1.026 246 S CA 2.204 60.399 58.200 -0.008 0.000 0.972 246 S CB 0.122 63.310 63.200 -0.021 0.000 0.814 246 S HN -0.408 7.888 8.310 -0.008 0.010 0.477 247 A N -0.972 121.844 122.820 -0.006 0.000 2.168 247 A HA 0.009 nan 4.320 nan 0.000 0.215 247 A C 0.144 177.736 177.584 0.014 0.000 1.152 247 A CA 0.478 52.513 52.037 -0.003 0.000 0.716 247 A CB -0.068 18.926 19.000 -0.011 0.000 0.794 247 A HN -0.418 7.635 8.150 -0.011 0.091 0.465 248 G N -3.040 105.774 108.800 0.022 0.000 2.143 248 G HA2 -0.374 nan 3.960 nan 0.000 0.249 248 G HA3 -0.374 nan 3.960 nan 0.000 0.249 248 G C -0.284 174.649 174.900 0.054 0.000 0.981 248 G CA -0.109 45.009 45.100 0.030 0.000 0.665 248 G HN -0.659 7.453 8.290 0.021 0.191 0.528 249 I N 2.165 122.779 120.570 0.073 0.000 2.396 249 I HA -0.203 nan 4.170 nan 0.000 0.289 249 I C -1.201 175.003 176.117 0.146 0.000 1.056 249 I CA 0.236 61.605 61.300 0.116 0.000 1.365 249 I CB 0.053 38.112 38.000 0.098 0.000 1.407 249 I HN -0.456 7.736 8.210 0.058 0.053 0.509 250 A N 8.502 131.391 122.820 0.116 0.000 2.328 250 A HA 0.227 nan 4.320 nan 0.000 0.284 250 A C -1.837 175.791 177.584 0.073 0.000 1.160 250 A CA -0.219 51.841 52.037 0.037 0.000 0.818 250 A CB 0.940 19.941 19.000 0.001 0.000 1.087 250 A HN 0.312 8.541 8.150 0.131 0.000 0.504 251 Y N -2.222 118.033 120.300 -0.075 0.000 2.805 251 Y HA 0.656 nan 4.550 nan 0.000 0.323 251 Y C -1.288 174.569 175.900 -0.072 0.000 1.279 251 Y CA -2.287 55.748 58.100 -0.109 0.000 1.103 251 Y CB 1.263 39.639 38.460 -0.140 0.000 1.324 251 Y HN -0.219 7.782 8.280 -0.464 0.000 0.498 252 T N 1.761 116.405 114.554 0.150 0.000 3.031 252 T HA 0.247 nan 4.350 nan 0.000 0.305 252 T C -1.866 172.942 174.700 0.180 0.000 0.985 252 T CA -0.063 62.080 62.100 0.071 0.000 1.008 252 T CB 1.459 70.334 68.868 0.011 0.000 1.005 252 T HN 0.286 8.661 8.240 0.226 0.000 0.444 253 V N 4.824 124.866 119.914 0.214 0.000 2.555 253 V HA 0.193 nan 4.120 nan 0.000 0.286 253 V C -0.745 175.413 176.094 0.105 0.000 1.044 253 V CA -0.243 62.194 62.300 0.227 0.000 1.026 253 V CB 0.276 32.264 31.823 0.275 0.000 0.981 253 V HN 0.223 8.511 8.190 0.164 0.000 0.480 254 N N 7.915 126.657 118.700 0.069 0.000 2.573 254 N HA 0.232 nan 4.740 nan 0.000 0.262 254 N C 0.036 175.531 175.510 -0.024 0.000 1.029 254 N CA -1.256 51.804 53.050 0.016 0.000 0.882 254 N CB 2.008 40.501 38.487 0.010 0.000 1.204 254 N HN 0.662 9.094 8.380 0.086 0.000 0.519 255 Q N 6.125 125.903 119.800 -0.036 0.000 2.297 255 Q HA -0.283 nan 4.340 nan 0.000 0.208 255 Q C 0.886 176.830 176.000 -0.094 0.000 0.981 255 Q CA 2.668 58.424 55.803 -0.079 0.000 0.876 255 Q CB 0.209 28.910 28.738 -0.062 0.000 0.921 255 Q HN 0.747 9.007 8.270 -0.017 0.000 0.446 256 R N -4.326 116.139 120.500 -0.057 0.000 2.362 256 R HA 0.142 nan 4.340 nan 0.000 0.227 256 R C -0.319 175.956 176.300 -0.040 0.000 0.905 256 R CA -1.611 54.464 56.100 -0.043 0.000 1.067 256 R CB 0.337 30.625 30.300 -0.021 0.000 1.078 256 R HN -0.612 7.783 8.270 -0.041 -0.150 0.516 257 L N 2.050 123.243 121.223 -0.051 0.000 2.385 257 L HA -0.010 nan 4.340 nan 0.000 0.281 257 L C -1.466 175.365 176.870 -0.066 0.000 1.106 257 L CA 1.123 55.932 54.840 -0.050 0.000 0.856 257 L CB -0.087 41.945 42.059 -0.044 0.000 1.186 257 L HN -0.440 7.606 8.230 -0.058 0.150 0.453 258 V N 2.789 122.672 119.914 -0.052 0.000 3.007 258 V HA 0.311 nan 4.120 nan 0.000 0.311 258 V C -1.349 174.720 176.094 -0.041 0.000 1.120 258 V CA -1.764 60.510 62.300 -0.044 0.000 0.980 258 V CB 2.816 34.631 31.823 -0.012 0.000 1.033 258 V HN 0.014 8.180 8.190 -0.039 0.000 0.429 259 R N 2.424 122.903 120.500 -0.035 0.000 2.596 259 R HA 0.260 nan 4.340 nan 0.000 0.267 259 R C 0.846 177.177 176.300 0.052 0.000 1.026 259 R CA -0.380 55.713 56.100 -0.011 0.000 1.087 259 R CB 1.045 31.285 30.300 -0.100 0.000 1.132 259 R HN 0.219 8.478 8.270 -0.018 0.000 0.531 260 G N 0.100 108.927 108.800 0.045 0.000 2.509 260 G HA2 -0.182 nan 3.960 nan 0.000 0.218 260 G HA3 -0.182 nan 3.960 nan 0.000 0.218 260 G C -0.470 174.429 174.900 -0.002 0.000 1.124 260 G CA 0.400 45.515 45.100 0.025 0.000 0.776 260 G HN 0.371 8.687 8.290 0.043 0.000 0.547 261 L N -1.470 119.738 121.223 -0.025 0.000 2.375 261 L HA 0.131 nan 4.340 nan 0.000 0.268 261 L C -0.445 176.282 176.870 -0.239 0.000 1.058 261 L CA -0.826 53.867 54.840 -0.245 0.000 0.803 261 L CB 0.938 42.601 42.059 -0.660 0.000 1.212 261 L HN -0.913 7.323 8.230 0.088 0.047 0.451 262 D N 0.668 120.906 120.400 -0.269 0.000 2.349 262 D HA 0.047 nan 4.640 nan 0.000 0.214 262 D C 0.002 176.248 176.300 -0.089 0.000 1.063 262 D CA 1.053 54.981 54.000 -0.119 0.000 0.847 262 D CB 0.435 41.215 40.800 -0.034 0.000 0.933 262 D HN 0.291 8.494 8.370 -0.279 0.000 0.513 263 Y N -6.072 114.124 120.300 -0.173 0.000 2.490 263 Y HA 0.058 nan 4.550 nan 0.000 0.281 263 Y C -1.263 174.563 175.900 -0.123 0.000 1.174 263 Y CA -3.064 54.934 58.100 -0.170 0.000 1.295 263 Y CB -1.286 37.041 38.460 -0.221 0.000 1.062 263 Y HN -0.525 7.194 8.280 -0.936 0.000 0.522 264 Y N -0.935 119.556 120.300 0.319 0.000 2.425 264 Y HA -0.214 nan 4.550 nan 0.000 0.331 264 Y C -0.198 175.814 175.900 0.186 0.000 1.157 264 Y CA 0.968 59.243 58.100 0.292 0.000 1.372 264 Y CB 0.077 38.637 38.460 0.168 0.000 1.253 264 Y HN -0.667 7.527 8.280 -0.046 0.059 0.536 265 N N 3.207 122.132 118.700 0.375 0.000 1.827 265 N HA -0.040 nan 4.740 nan 0.000 0.242 265 N C 1.585 177.161 175.510 0.111 0.000 1.168 265 N CA 0.145 53.309 53.050 0.190 0.000 0.976 265 N CB 1.248 39.819 38.487 0.140 0.000 1.324 265 N HN 0.178 8.720 8.380 0.492 0.134 0.418 266 R N 0.254 120.775 120.500 0.035 0.000 2.043 266 R HA 0.010 nan 4.340 nan 0.000 0.221 266 R C 0.605 176.914 176.300 0.015 0.000 1.196 266 R CA 3.055 59.137 56.100 -0.029 0.000 0.949 266 R CB 0.195 30.401 30.300 -0.157 0.000 0.838 266 R HN 0.271 8.549 8.270 0.013 0.000 0.446 267 T N 1.891 116.496 114.554 0.084 0.000 2.817 267 T HA 0.188 nan 4.350 nan 0.000 0.295 267 T C -1.067 173.735 174.700 0.171 0.000 0.958 267 T CA 2.201 64.414 62.100 0.187 0.000 1.157 267 T CB -0.731 68.294 68.868 0.261 0.000 0.898 267 T HN -0.173 8.095 8.240 0.047 0.000 0.536 268 V N 1.280 121.270 119.914 0.127 0.000 2.686 268 V HA 1.134 nan 4.120 nan 0.000 0.306 268 V C -2.594 173.578 176.094 0.129 0.000 1.065 268 V CA -2.761 59.532 62.300 -0.011 0.000 0.894 268 V CB 1.954 33.675 31.823 -0.171 0.000 1.004 268 V HN 0.517 8.788 8.190 0.134 0.000 0.424 269 F N 0.661 120.555 119.950 -0.094 0.000 2.686 269 F HA 0.928 nan 4.527 nan 0.000 0.311 269 F C -2.764 172.996 175.800 -0.067 0.000 1.128 269 F CA -1.905 56.041 58.000 -0.090 0.000 0.946 269 F CB 3.268 42.202 39.000 -0.110 0.000 1.336 269 F HN 0.582 8.662 8.300 -0.367 0.000 0.457 270 E N -1.134 119.062 120.200 -0.008 0.000 2.372 270 E HA 0.533 nan 4.350 nan 0.000 0.279 270 E C -2.469 174.152 176.600 0.035 0.000 0.946 270 E CA -0.590 55.803 56.400 -0.010 0.000 0.769 270 E CB 4.955 34.643 29.700 -0.020 0.000 1.230 270 E HN 0.208 8.603 8.360 0.059 0.000 0.442 271 W N 1.098 122.491 121.300 0.156 0.000 2.329 271 W HA 0.413 nan 4.660 nan 0.000 0.312 271 W C -1.180 175.349 176.519 0.017 0.000 1.054 271 W CA -0.601 56.829 57.345 0.142 0.000 1.245 271 W CB 1.689 31.308 29.460 0.265 0.000 1.255 271 W HN 0.999 9.313 8.180 0.398 0.105 0.436 272 V N 5.108 125.147 119.914 0.208 0.000 2.919 272 V HA 0.831 nan 4.120 nan 0.000 0.316 272 V C -1.846 174.271 176.094 0.038 0.000 1.077 272 V CA -2.143 60.209 62.300 0.086 0.000 0.977 272 V CB 3.542 35.394 31.823 0.047 0.000 1.039 272 V HN 0.919 9.236 8.190 0.210 0.000 0.441 273 T N 2.431 116.985 114.554 0.000 0.000 2.903 273 T HA 0.422 nan 4.350 nan 0.000 0.299 273 T C -1.207 173.491 174.700 -0.004 0.000 1.093 273 T CA -1.269 60.822 62.100 -0.015 0.000 1.002 273 T CB 1.705 70.540 68.868 -0.055 0.000 1.127 273 T HN 0.426 8.666 8.240 0.001 0.000 0.488 274 N N 4.041 122.746 118.700 0.007 0.000 2.184 274 N HA 0.287 nan 4.740 nan 0.000 0.206 274 N C 0.934 176.450 175.510 0.010 0.000 1.151 274 N CA 0.653 53.707 53.050 0.006 0.000 0.878 274 N CB 1.044 39.535 38.487 0.006 0.000 1.014 274 N HN 0.429 8.821 8.380 0.019 0.000 0.512 275 S N 0.752 116.462 115.700 0.018 0.000 2.595 275 S HA -0.166 nan 4.470 nan 0.000 0.235 275 S C 0.036 174.628 174.600 -0.014 0.000 0.974 275 S CA 1.546 59.751 58.200 0.008 0.000 0.942 275 S CB 0.237 63.431 63.200 -0.010 0.000 0.766 275 S HN -0.503 7.777 8.310 0.024 0.044 0.536 276 L N -1.320 119.894 121.223 -0.015 0.000 3.858 276 L HA -0.300 nan 4.340 nan 0.000 0.425 276 L C 0.287 177.142 176.870 -0.024 0.000 1.177 276 L CA 0.538 55.367 54.840 -0.019 0.000 0.943 276 L CB -0.843 41.208 42.059 -0.014 0.000 1.861 276 L HN -0.378 7.720 8.230 -0.011 0.126 0.985 277 G N -3.467 105.309 108.800 -0.040 0.000 2.559 277 G HA2 -0.249 nan 3.960 nan 0.000 0.216 277 G HA3 -0.249 nan 3.960 nan 0.000 0.216 277 G C -1.250 173.630 174.900 -0.034 0.000 1.126 277 G CA 0.855 45.925 45.100 -0.049 0.000 0.778 277 G HN 0.585 8.812 8.290 -0.046 0.036 0.543 278 S N -2.846 112.834 115.700 -0.033 0.000 2.841 278 S HA 0.221 nan 4.470 nan 0.000 0.318 278 S C -0.510 174.072 174.600 -0.030 0.000 1.127 278 S CA -0.588 57.598 58.200 -0.023 0.000 0.883 278 S CB 1.469 64.653 63.200 -0.027 0.000 1.271 278 S HN -1.053 7.156 8.310 -0.036 0.079 0.567 279 Q N 0.032 119.808 119.800 -0.041 0.000 2.230 279 Q HA 0.012 nan 4.340 nan 0.000 0.202 279 Q C 0.414 176.393 176.000 -0.034 0.000 0.963 279 Q CA 2.088 57.860 55.803 -0.052 0.000 0.866 279 Q CB 0.391 29.086 28.738 -0.071 0.000 0.931 279 Q HN 0.624 8.870 8.270 -0.040 0.000 0.452 280 G N -4.301 104.485 108.800 -0.023 0.000 4.432 280 G HA2 -0.184 nan 3.960 nan 0.000 0.158 280 G HA3 -0.184 nan 3.960 nan 0.000 0.158 280 G C -2.057 172.843 174.900 -0.000 0.000 1.637 280 G CA 0.156 45.249 45.100 -0.013 0.000 0.900 280 G HN -0.415 7.832 8.290 -0.023 0.029 0.292 281 T N 2.822 117.382 114.554 0.010 0.000 2.832 281 T HA 0.337 nan 4.350 nan 0.000 0.296 281 T C 0.130 174.862 174.700 0.053 0.000 0.968 281 T CA 0.052 62.178 62.100 0.042 0.000 1.107 281 T CB 0.631 69.526 68.868 0.045 0.000 0.916 281 T HN -0.554 7.686 8.240 -0.000 0.000 0.517 282 V N 6.316 126.278 119.914 0.079 0.000 3.263 282 V HA 0.356 nan 4.120 nan 0.000 0.248 282 V C -1.416 174.792 176.094 0.190 0.000 1.145 282 V CA 1.312 63.654 62.300 0.071 0.000 1.107 282 V CB 1.489 33.276 31.823 -0.061 0.000 0.797 282 V HN 0.806 9.060 8.190 0.107 0.000 0.467 283 C N -1.061 118.419 119.300 0.299 0.000 2.608 283 C HA 0.726 nan 4.460 nan 0.000 0.325 283 C C -2.769 172.425 174.990 0.341 0.000 1.147 283 C CA -1.637 57.632 59.018 0.417 0.000 1.359 283 C CB 2.239 30.322 27.740 0.573 0.000 1.912 283 C HN -0.508 7.904 8.230 0.302 0.000 0.466 284 A N 6.375 129.331 122.820 0.227 0.000 2.488 284 A HA 0.950 nan 4.320 nan 0.000 0.298 284 A C -2.571 174.927 177.584 -0.143 0.000 1.044 284 A CA -0.974 51.029 52.037 -0.056 0.000 0.693 284 A CB 3.300 22.291 19.000 -0.016 0.000 1.272 284 A HN 0.481 8.827 8.150 0.327 0.000 0.402 285 G N -0.696 107.682 108.800 -0.703 0.000 2.634 285 G HA2 0.804 nan 3.960 nan 0.000 0.309 285 G HA3 0.804 nan 3.960 nan 0.000 0.309 285 G C -2.666 171.900 174.900 -0.557 0.000 1.299 285 G CA -0.094 44.773 45.100 -0.389 0.000 0.798 285 G HN 0.537 8.116 8.290 -1.185 0.000 0.490 286 G N -3.482 105.382 108.800 0.108 0.000 2.340 286 G HA2 0.393 nan 3.960 nan 0.000 0.299 286 G HA3 0.393 nan 3.960 nan 0.000 0.299 286 G C -2.950 172.303 174.900 0.588 0.000 1.291 286 G CA 0.554 45.782 45.100 0.214 0.000 0.841 286 G HN -0.251 8.305 8.290 0.443 0.000 0.500 287 R N -0.120 120.676 120.500 0.494 0.000 2.543 287 R HA 0.615 nan 4.340 nan 0.000 0.268 287 R C -0.649 175.981 176.300 0.549 0.000 1.067 287 R CA -1.467 54.859 56.100 0.377 0.000 1.142 287 R CB 2.287 32.694 30.300 0.178 0.000 1.110 287 R HN 0.560 8.959 8.270 0.371 0.093 0.549 288 Y N -1.123 119.279 120.300 0.171 0.000 2.903 288 Y HA 0.187 nan 4.550 nan 0.000 0.254 288 Y C -1.238 174.689 175.900 0.044 0.000 0.938 288 Y CA -1.004 57.160 58.100 0.105 0.000 1.148 288 Y CB -0.653 37.786 38.460 -0.035 0.000 1.178 288 Y HN 0.822 8.996 8.280 -0.177 0.000 0.595 289 D N 4.272 124.683 120.400 0.018 0.000 2.158 289 D HA -0.315 nan 4.640 nan 0.000 0.197 289 D C 1.400 177.735 176.300 0.060 0.000 0.995 289 D CA 3.615 57.611 54.000 -0.007 0.000 0.846 289 D CB -0.520 40.284 40.800 0.007 0.000 0.941 289 D HN 0.137 8.539 8.370 0.055 0.000 0.456 290 G N -3.092 105.769 108.800 0.102 0.000 2.623 290 G HA2 -0.085 nan 3.960 nan 0.000 0.214 290 G HA3 -0.085 nan 3.960 nan 0.000 0.214 290 G C 0.887 175.853 174.900 0.109 0.000 1.138 290 G CA 0.478 45.637 45.100 0.098 0.000 0.794 290 G HN 0.076 8.419 8.290 0.125 0.022 0.535 291 L N 1.082 122.396 121.223 0.152 0.000 2.127 291 L HA -0.302 nan 4.340 nan 0.000 0.211 291 L C 1.575 178.503 176.870 0.096 0.000 1.089 291 L CA 2.967 57.876 54.840 0.114 0.000 0.757 291 L CB -0.054 42.037 42.059 0.053 0.000 0.899 291 L HN -0.633 7.720 8.230 0.206 0.000 0.434 292 V N -2.646 117.345 119.914 0.130 0.000 2.307 292 V HA -0.480 nan 4.120 nan 0.000 0.245 292 V C 2.017 178.136 176.094 0.042 0.000 1.045 292 V CA 4.377 66.733 62.300 0.093 0.000 1.024 292 V CB -0.837 31.057 31.823 0.118 0.000 0.651 292 V HN 0.024 8.290 8.190 0.160 0.020 0.449 293 E N -1.755 118.470 120.200 0.042 0.000 2.072 293 E HA -0.393 nan 4.350 nan 0.000 0.190 293 E C 2.458 179.066 176.600 0.013 0.000 0.982 293 E CA 2.681 59.092 56.400 0.017 0.000 0.803 293 E CB -0.962 28.750 29.700 0.021 0.000 0.755 293 E HN -0.530 7.866 8.360 0.060 0.000 0.453 294 Q N 0.670 120.488 119.800 0.029 0.000 2.156 294 Q HA -0.291 nan 4.340 nan 0.000 0.211 294 Q C 2.201 178.206 176.000 0.008 0.000 0.995 294 Q CA 2.920 58.738 55.803 0.026 0.000 0.877 294 Q CB -0.044 28.722 28.738 0.047 0.000 0.920 294 Q HN -0.063 8.233 8.270 0.044 0.000 0.416 295 L N -3.534 117.690 121.223 0.001 0.000 2.688 295 L HA -0.016 nan 4.340 nan 0.000 0.234 295 L C 0.314 177.165 176.870 -0.031 0.000 1.192 295 L CA -0.717 54.110 54.840 -0.021 0.000 0.984 295 L CB -0.791 41.250 42.059 -0.030 0.000 1.232 295 L HN -0.614 7.519 8.230 0.013 0.105 0.465 296 G N -2.859 105.925 108.800 -0.027 0.000 2.136 296 G HA2 -0.315 nan 3.960 nan 0.000 0.242 296 G HA3 -0.315 nan 3.960 nan 0.000 0.242 296 G C -0.340 174.530 174.900 -0.051 0.000 0.989 296 G CA -0.153 44.924 45.100 -0.039 0.000 0.682 296 G HN 0.351 8.439 8.290 -0.017 0.192 0.522 297 G N -1.310 107.464 108.800 -0.043 0.000 2.820 297 G HA2 0.253 nan 3.960 nan 0.000 0.291 297 G HA3 0.253 nan 3.960 nan 0.000 0.291 297 G C -1.867 172.996 174.900 -0.062 0.000 1.323 297 G CA -1.727 43.339 45.100 -0.057 0.000 1.055 297 G HN -0.217 8.057 8.290 -0.026 0.000 0.520 298 R N -0.774 119.675 120.500 -0.086 0.000 2.357 298 R HA 0.053 nan 4.340 nan 0.000 0.296 298 R C -0.148 176.163 176.300 0.017 0.000 1.052 298 R CA -1.774 54.273 56.100 -0.088 0.000 0.988 298 R CB 0.330 30.487 30.300 -0.238 0.000 1.025 298 R HN 0.059 8.275 8.270 -0.091 0.000 0.469 299 A N 4.642 127.481 122.820 0.032 0.000 2.561 299 A HA -0.073 nan 4.320 nan 0.000 0.251 299 A C -1.009 176.631 177.584 0.094 0.000 1.062 299 A CA 0.921 52.994 52.037 0.060 0.000 0.761 299 A CB 0.514 19.544 19.000 0.051 0.000 0.986 299 A HN 0.390 8.546 8.150 0.010 0.000 0.510 300 T N 6.259 120.873 114.554 0.099 0.000 2.933 300 T HA 0.318 nan 4.350 nan 0.000 0.305 300 T C -3.043 171.707 174.700 0.085 0.000 1.092 300 T CA -1.456 60.713 62.100 0.116 0.000 1.008 300 T CB 2.726 71.690 68.868 0.160 0.000 1.102 300 T HN 0.230 8.526 8.240 0.092 0.000 0.469 301 P HA 0.243 nan 4.420 nan 0.000 0.277 301 P C -2.388 174.826 177.300 -0.142 0.000 1.240 301 P CA -0.641 62.441 63.100 -0.031 0.000 0.798 301 P CB 0.941 32.635 31.700 -0.010 0.000 0.979 302 A N -0.846 121.750 122.820 -0.374 0.000 2.604 302 A HA 0.879 nan 4.320 nan 0.000 0.295 302 A C -2.428 174.616 177.584 -0.900 0.000 1.067 302 A CA -0.390 51.161 52.037 -0.811 0.000 0.683 302 A CB 3.265 21.551 19.000 -1.190 0.000 1.281 302 A HN -0.264 7.893 8.150 -0.322 -0.200 0.407 303 V N -5.392 114.127 119.914 -0.659 0.000 3.242 303 V HA 0.795 nan 4.120 nan 0.000 0.298 303 V C -1.674 174.506 176.094 0.143 0.000 1.352 303 V CA -1.955 60.286 62.300 -0.099 0.000 1.052 303 V CB 3.932 35.789 31.823 0.056 0.000 1.101 303 V HN 0.172 7.952 8.190 -0.683 0.000 0.446 304 G N -1.074 107.978 108.800 0.421 0.000 2.317 304 G HA2 0.731 nan 3.960 nan 0.000 0.293 304 G HA3 0.731 nan 3.960 nan 0.000 0.293 304 G C -3.493 171.709 174.900 0.504 0.000 1.287 304 G CA 1.144 46.455 45.100 0.352 0.000 0.850 304 G HN -0.313 8.296 8.290 0.532 0.000 0.515 305 F N -5.680 114.471 119.950 0.333 0.000 2.807 305 F HA 0.881 nan 4.527 nan 0.000 0.316 305 F C -3.279 172.687 175.800 0.276 0.000 1.162 305 F CA -1.748 56.419 58.000 0.279 0.000 0.910 305 F CB 2.370 41.573 39.000 0.338 0.000 1.314 305 F HN 0.253 8.395 8.300 -0.262 0.000 0.454 306 A N -2.435 120.669 122.820 0.473 0.000 2.486 306 A HA 0.912 nan 4.320 nan 0.000 0.300 306 A C -2.996 174.903 177.584 0.525 0.000 1.048 306 A CA -0.888 51.386 52.037 0.395 0.000 0.696 306 A CB 3.364 22.586 19.000 0.369 0.000 1.278 306 A HN 0.370 8.848 8.150 0.547 0.000 0.405 307 M N 1.808 121.692 119.600 0.474 0.000 2.535 307 M HA 0.690 nan 4.480 nan 0.000 0.314 307 M C -1.261 175.217 176.300 0.296 0.000 1.153 307 M CA -1.870 53.671 55.300 0.402 0.000 0.924 307 M CB 4.556 37.413 32.600 0.428 0.000 1.710 307 M HN 0.897 9.316 8.290 0.407 0.115 0.451 308 G N 2.685 111.633 108.800 0.246 0.000 2.391 308 G HA2 0.331 nan 3.960 nan 0.000 0.305 308 G HA3 0.331 nan 3.960 nan 0.000 0.305 308 G C -0.622 174.366 174.900 0.148 0.000 1.072 308 G CA -0.571 44.675 45.100 0.243 0.000 1.016 308 G HN 0.275 8.701 8.290 0.226 0.000 0.418 309 L N 5.780 127.094 121.223 0.153 0.000 2.079 309 L HA -0.520 nan 4.340 nan 0.000 0.210 309 L C 1.739 178.502 176.870 -0.179 0.000 1.081 309 L CA 3.566 58.368 54.840 -0.063 0.000 0.752 309 L CB -0.169 41.884 42.059 -0.010 0.000 0.896 309 L HN 0.198 8.582 8.230 0.256 0.000 0.433 310 E N -1.096 119.203 120.200 0.165 0.000 2.077 310 E HA -0.362 nan 4.350 nan 0.000 0.193 310 E C 2.512 179.174 176.600 0.103 0.000 0.989 310 E CA 4.027 60.580 56.400 0.255 0.000 0.800 310 E CB -0.798 29.235 29.700 0.554 0.000 0.746 310 E HN 0.178 8.725 8.360 0.336 0.014 0.452 311 R N -1.172 119.382 120.500 0.091 0.000 2.092 311 R HA -0.267 nan 4.340 nan 0.000 0.231 311 R C 2.522 178.768 176.300 -0.090 0.000 1.119 311 R CA 2.799 58.910 56.100 0.018 0.000 0.970 311 R CB -0.370 29.944 30.300 0.023 0.000 0.864 311 R HN -0.678 7.674 8.270 0.137 0.000 0.440 312 L N 0.353 121.489 121.223 -0.144 0.000 1.994 312 L HA -0.290 nan 4.340 nan 0.000 0.208 312 L C 1.561 178.236 176.870 -0.325 0.000 1.071 312 L CA 3.501 58.201 54.840 -0.233 0.000 0.745 312 L CB -0.307 41.608 42.059 -0.241 0.000 0.892 312 L HN -0.184 7.906 8.230 -0.103 0.078 0.431 313 V N -1.101 118.541 119.914 -0.453 0.000 2.380 313 V HA -0.517 nan 4.120 nan 0.000 0.251 313 V C 2.212 178.133 176.094 -0.289 0.000 1.063 313 V CA 4.457 66.438 62.300 -0.532 0.000 1.055 313 V CB -1.115 30.165 31.823 -0.905 0.000 0.657 313 V HN 0.291 8.070 8.190 -0.504 0.108 0.455 314 L N -1.836 119.288 121.223 -0.165 0.000 2.027 314 L HA -0.346 nan 4.340 nan 0.000 0.206 314 L C 2.226 179.021 176.870 -0.126 0.000 1.074 314 L CA 2.945 57.738 54.840 -0.079 0.000 0.745 314 L CB -0.382 41.676 42.059 -0.000 0.000 0.898 314 L HN -0.468 7.573 8.230 -0.151 0.099 0.433 315 L N -0.973 120.153 121.223 -0.161 0.000 2.079 315 L HA -0.332 nan 4.340 nan 0.000 0.210 315 L C 1.881 178.604 176.870 -0.244 0.000 1.081 315 L CA 3.221 57.945 54.840 -0.193 0.000 0.752 315 L CB -0.614 41.317 42.059 -0.213 0.000 0.896 315 L HN 0.071 8.096 8.230 -0.160 0.109 0.433 316 V N -0.495 119.245 119.914 -0.289 0.000 2.270 316 V HA -0.527 nan 4.120 nan 0.000 0.245 316 V C 2.229 178.155 176.094 -0.279 0.000 1.043 316 V CA 4.791 66.880 62.300 -0.351 0.000 1.014 316 V CB -0.763 30.736 31.823 -0.540 0.000 0.645 316 V HN 0.174 8.184 8.190 -0.299 0.000 0.447 317 Q N -1.422 118.241 119.800 -0.227 0.000 2.364 317 Q HA -0.366 nan 4.340 nan 0.000 0.209 317 Q C 1.744 177.688 176.000 -0.093 0.000 0.977 317 Q CA 2.778 58.508 55.803 -0.121 0.000 0.885 317 Q CB -0.402 28.292 28.738 -0.073 0.000 0.941 317 Q HN -0.228 7.893 8.270 -0.249 0.000 0.464 318 A N -1.256 121.488 122.820 -0.125 0.000 1.859 318 A HA -0.067 nan 4.320 nan 0.000 0.212 318 A C 1.406 178.901 177.584 -0.148 0.000 1.238 318 A CA 2.064 54.033 52.037 -0.113 0.000 0.613 318 A CB 0.318 19.249 19.000 -0.115 0.000 0.904 318 A HN -0.391 7.505 8.150 -0.157 0.160 0.457 319 V N -2.132 117.637 119.914 -0.242 0.000 2.427 319 V HA -0.178 nan 4.120 nan 0.000 0.248 319 V C 1.074 177.057 176.094 -0.185 0.000 1.051 319 V CA 2.587 64.686 62.300 -0.336 0.000 1.048 319 V CB 0.269 31.701 31.823 -0.652 0.000 0.666 319 V HN -0.198 7.836 8.190 -0.260 0.000 0.456 320 N N -0.264 118.353 118.700 -0.139 0.000 3.301 320 N HA 0.456 nan 4.740 nan 0.000 0.289 320 N C -1.158 174.357 175.510 0.008 0.000 1.343 320 N CA -2.451 50.575 53.050 -0.041 0.000 1.136 320 N CB 0.473 38.944 38.487 -0.027 0.000 1.402 320 N HN -0.061 8.106 8.380 -0.175 0.108 0.516 321 P HA -0.279 nan 4.420 nan 0.000 0.225 321 P C 0.048 177.374 177.300 0.043 0.000 1.154 321 P CA 2.170 65.278 63.100 0.013 0.000 0.933 321 P CB 0.147 31.852 31.700 0.009 0.000 0.790 322 E N -1.371 118.866 120.200 0.062 0.000 3.568 322 E HA 0.189 nan 4.350 nan 0.000 0.213 322 E C -1.423 175.240 176.600 0.105 0.000 1.197 322 E CA -0.939 55.503 56.400 0.070 0.000 1.126 322 E CB 0.425 30.145 29.700 0.033 0.000 1.285 322 E HN 0.193 8.588 8.360 0.058 0.000 0.418 323 F N 3.132 123.067 119.950 -0.025 0.000 2.309 323 F HA 0.214 nan 4.527 nan 0.000 0.366 323 F C -1.272 174.516 175.800 -0.020 0.000 1.104 323 F CA -0.936 57.047 58.000 -0.028 0.000 1.179 323 F CB 0.148 39.122 39.000 -0.044 0.000 1.437 323 F HN -0.313 8.136 8.300 0.247 0.000 0.528 324 K N 6.295 126.654 120.400 -0.067 0.000 2.209 324 K HA 0.247 nan 4.320 nan 0.000 0.238 324 K C -1.390 175.145 176.600 -0.109 0.000 1.028 324 K CA -1.120 55.147 56.287 -0.033 0.000 0.935 324 K CB 1.703 34.181 32.500 -0.037 0.000 1.162 324 K HN 0.162 8.324 8.250 -0.146 0.000 0.485 325 A N -1.027 121.775 122.820 -0.030 0.000 2.437 325 A HA 0.247 nan 4.320 nan 0.000 0.288 325 A C -1.694 175.879 177.584 -0.017 0.000 1.201 325 A CA -1.208 50.814 52.037 -0.025 0.000 0.795 325 A CB 1.211 20.235 19.000 0.041 0.000 1.359 325 A HN 0.015 8.166 8.150 0.003 0.000 0.435 326 D N 0.867 121.263 120.400 -0.007 0.000 2.264 326 D HA 0.227 nan 4.640 nan 0.000 0.249 326 D C -1.412 174.904 176.300 0.026 0.000 1.070 326 D CA -1.195 52.805 54.000 0.000 0.000 0.912 326 D CB -0.338 40.460 40.800 -0.004 0.000 1.193 326 D HN 0.052 8.420 8.370 -0.003 0.000 0.427 327 P HA -0.047 nan 4.420 nan 0.000 0.269 327 P C 0.644 177.988 177.300 0.073 0.000 1.211 327 P CA -0.219 62.915 63.100 0.057 0.000 0.781 327 P CB 0.811 32.542 31.700 0.052 0.000 0.877 328 V N -4.872 115.112 119.914 0.116 0.000 2.809 328 V HA 0.026 nan 4.120 nan 0.000 0.256 328 V C -0.362 175.782 176.094 0.083 0.000 1.080 328 V CA 1.501 63.873 62.300 0.121 0.000 1.102 328 V CB 0.000 31.944 31.823 0.200 0.000 0.705 328 V HN 0.425 8.699 8.190 0.140 0.000 0.475 329 V N -2.100 117.873 119.914 0.098 0.000 2.925 329 V HA 0.290 nan 4.120 nan 0.000 0.311 329 V C -1.338 174.790 176.094 0.056 0.000 1.104 329 V CA -0.584 61.748 62.300 0.052 0.000 0.954 329 V CB 3.667 35.510 31.823 0.033 0.000 1.022 329 V HN -0.706 7.528 8.190 0.134 0.036 0.427 330 D N 5.085 125.500 120.400 0.026 0.000 2.615 330 D HA 0.280 nan 4.640 nan 0.000 0.259 330 D C -0.415 175.898 176.300 0.022 0.000 0.999 330 D CA 1.967 55.978 54.000 0.018 0.000 0.938 330 D CB 2.408 43.207 40.800 -0.003 0.000 1.121 330 D HN 0.533 8.790 8.370 0.006 0.117 0.487 331 I N -1.710 118.868 120.570 0.014 0.000 2.436 331 I HA 0.382 nan 4.170 nan 0.000 0.289 331 I C -2.402 173.738 176.117 0.039 0.000 1.010 331 I CA -0.343 60.967 61.300 0.016 0.000 1.098 331 I CB 3.031 41.017 38.000 -0.023 0.000 1.266 331 I HN -0.114 8.094 8.210 -0.002 0.000 0.434 332 Y N 7.595 127.868 120.300 -0.046 0.000 2.341 332 Y HA 0.507 nan 4.550 nan 0.000 0.337 332 Y C -2.305 173.582 175.900 -0.021 0.000 1.014 332 Y CA -2.073 56.001 58.100 -0.044 0.000 1.111 332 Y CB 3.175 41.647 38.460 0.020 0.000 1.194 332 Y HN 0.145 8.517 8.280 0.153 0.000 0.462 333 L N 7.984 128.864 121.223 -0.572 0.000 2.288 333 L HA 0.361 nan 4.340 nan 0.000 0.283 333 L C -1.636 175.059 176.870 -0.291 0.000 1.072 333 L CA -1.152 53.491 54.840 -0.329 0.000 0.862 333 L CB 0.870 42.761 42.059 -0.279 0.000 1.245 333 L HN 0.634 8.317 8.230 -0.912 0.000 0.432 334 V N 6.471 126.382 119.914 -0.004 0.000 2.686 334 V HA 0.146 nan 4.120 nan 0.000 0.295 334 V C -1.485 174.676 176.094 0.112 0.000 1.055 334 V CA -0.247 62.153 62.300 0.166 0.000 1.050 334 V CB 0.007 32.032 31.823 0.337 0.000 0.984 334 V HN -0.256 7.972 8.190 0.063 0.000 0.482 335 A N 7.047 129.981 122.820 0.189 0.000 2.513 335 A HA 0.270 nan 4.320 nan 0.000 0.285 335 A C -2.351 175.378 177.584 0.242 0.000 1.047 335 A CA 0.259 52.412 52.037 0.194 0.000 0.864 335 A CB 1.791 20.839 19.000 0.080 0.000 1.373 335 A HN -0.130 8.378 8.150 0.225 -0.222 0.403 336 S N 2.952 118.861 115.700 0.348 0.000 2.568 336 S HA 0.285 nan 4.470 nan 0.000 0.293 336 S C -0.452 174.193 174.600 0.075 0.000 1.089 336 S CA -1.381 56.881 58.200 0.104 0.000 0.945 336 S CB 0.914 63.953 63.200 -0.269 0.000 1.077 336 S HN -0.112 8.505 8.310 0.510 0.000 0.485 337 G N 1.703 110.504 108.800 0.002 0.000 2.353 337 G HA2 -0.197 nan 3.960 nan 0.000 0.424 337 G HA3 -0.197 nan 3.960 nan 0.000 0.424 337 G C -2.195 172.711 174.900 0.011 0.000 1.320 337 G CA -0.724 44.382 45.100 0.009 0.000 0.995 337 G HN -0.036 8.240 8.290 -0.023 0.000 0.580 338 A N -0.202 122.625 122.820 0.010 0.000 2.438 338 A HA 0.146 nan 4.320 nan 0.000 0.280 338 A C -0.502 177.092 177.584 0.016 0.000 1.160 338 A CA 0.903 52.945 52.037 0.009 0.000 0.821 338 A CB -0.953 18.050 19.000 0.005 0.000 1.101 338 A HN 0.157 8.314 8.150 0.011 0.000 0.515 339 D N 1.110 121.519 120.400 0.015 0.000 3.041 339 D HA -0.287 nan 4.640 nan 0.000 0.220 339 D C 0.679 176.994 176.300 0.025 0.000 1.157 339 D CA 0.981 54.992 54.000 0.017 0.000 0.876 339 D CB -2.084 38.723 40.800 0.013 0.000 1.107 339 D HN 0.617 8.994 8.370 0.012 0.000 0.422 340 T N 0.505 115.078 114.554 0.033 0.000 2.777 340 T HA -0.259 nan 4.350 nan 0.000 0.266 340 T C 1.514 176.240 174.700 0.043 0.000 1.040 340 T CA 3.470 65.596 62.100 0.043 0.000 1.141 340 T CB 0.022 68.927 68.868 0.062 0.000 0.868 340 T HN -0.517 7.703 8.240 0.032 0.039 0.444 341 Q N 0.644 120.473 119.800 0.049 0.000 2.156 341 Q HA -0.441 nan 4.340 nan 0.000 0.211 341 Q C 2.105 178.134 176.000 0.048 0.000 0.995 341 Q CA 3.480 59.320 55.803 0.061 0.000 0.877 341 Q CB -0.984 27.798 28.738 0.073 0.000 0.920 341 Q HN 0.449 8.747 8.270 0.046 0.000 0.416 342 S N -1.314 114.405 115.700 0.032 0.000 2.382 342 S HA -0.270 nan 4.470 nan 0.000 0.228 342 S C 1.657 176.269 174.600 0.020 0.000 1.027 342 S CA 2.354 60.568 58.200 0.023 0.000 0.991 342 S CB -0.576 62.632 63.200 0.015 0.000 0.823 342 S HN -0.026 8.300 8.310 0.028 0.000 0.469 343 A N 1.203 124.036 122.820 0.021 0.000 1.858 343 A HA -0.253 nan 4.320 nan 0.000 0.216 343 A C 1.670 179.262 177.584 0.012 0.000 1.190 343 A CA 2.760 54.807 52.037 0.016 0.000 0.617 343 A CB -0.939 18.073 19.000 0.020 0.000 0.827 343 A HN -0.347 7.729 8.150 0.024 0.088 0.443 344 A N -1.305 121.525 122.820 0.016 0.000 1.883 344 A HA -0.386 nan 4.320 nan 0.000 0.217 344 A C 2.211 179.787 177.584 -0.013 0.000 1.186 344 A CA 3.083 55.120 52.037 -0.001 0.000 0.624 344 A CB -0.761 18.239 19.000 0.001 0.000 0.822 344 A HN 0.129 8.295 8.150 0.026 0.000 0.444 345 M N -2.309 117.298 119.600 0.011 0.000 2.229 345 M HA -0.396 nan 4.480 nan 0.000 0.264 345 M C 2.081 178.381 176.300 -0.001 0.000 1.063 345 M CA 3.775 59.083 55.300 0.012 0.000 1.114 345 M CB 0.056 32.687 32.600 0.052 0.000 1.387 345 M HN 0.120 8.428 8.290 0.031 0.000 0.420 346 A N -0.158 122.663 122.820 0.003 0.000 1.929 346 A HA -0.177 nan 4.320 nan 0.000 0.216 346 A C 1.947 179.527 177.584 -0.007 0.000 1.176 346 A CA 2.910 54.947 52.037 -0.001 0.000 0.628 346 A CB -0.795 18.207 19.000 0.003 0.000 0.816 346 A HN -0.363 7.700 8.150 0.009 0.092 0.444 347 L N -1.207 120.010 121.223 -0.010 0.000 2.156 347 L HA -0.231 nan 4.340 nan 0.000 0.208 347 L C 1.451 178.306 176.870 -0.025 0.000 1.095 347 L CA 2.145 56.977 54.840 -0.015 0.000 0.770 347 L CB -0.586 41.465 42.059 -0.014 0.000 0.914 347 L HN -0.029 8.107 8.230 -0.008 0.089 0.439 348 A N -0.498 122.300 122.820 -0.037 0.000 1.873 348 A HA -0.288 nan 4.320 nan 0.000 0.215 348 A C 2.224 179.786 177.584 -0.038 0.000 1.186 348 A CA 3.459 55.464 52.037 -0.053 0.000 0.616 348 A CB -0.857 18.096 19.000 -0.078 0.000 0.823 348 A HN 0.288 8.323 8.150 -0.034 0.094 0.442 349 E N -2.365 117.820 120.200 -0.025 0.000 2.153 349 E HA -0.331 nan 4.350 nan 0.000 0.194 349 E C 2.538 179.129 176.600 -0.015 0.000 0.988 349 E CA 2.798 59.188 56.400 -0.018 0.000 0.811 349 E CB -0.392 29.303 29.700 -0.009 0.000 0.746 349 E HN 0.010 8.250 8.360 -0.021 0.106 0.466 350 R N -0.183 120.309 120.500 -0.013 0.000 2.055 350 R HA -0.211 nan 4.340 nan 0.000 0.228 350 R C 2.208 178.501 176.300 -0.012 0.000 1.143 350 R CA 2.941 59.035 56.100 -0.010 0.000 0.945 350 R CB -0.082 30.213 30.300 -0.007 0.000 0.841 350 R HN -0.627 7.622 8.270 -0.014 0.013 0.429 351 L N -1.761 119.452 121.223 -0.016 0.000 2.263 351 L HA -0.328 nan 4.340 nan 0.000 0.216 351 L C 2.612 179.471 176.870 -0.019 0.000 1.111 351 L CA 3.065 57.895 54.840 -0.017 0.000 0.773 351 L CB -0.732 41.314 42.059 -0.023 0.000 0.906 351 L HN -0.064 8.156 8.230 -0.018 0.000 0.439 352 R N -1.730 118.757 120.500 -0.021 0.000 2.073 352 R HA -0.265 nan 4.340 nan 0.000 0.229 352 R C 1.026 177.318 176.300 -0.013 0.000 1.120 352 R CA 3.122 59.209 56.100 -0.021 0.000 0.967 352 R CB -0.490 29.796 30.300 -0.024 0.000 0.862 352 R HN -0.586 7.527 8.270 -0.023 0.144 0.436 353 D N -1.896 118.498 120.400 -0.010 0.000 2.117 353 D HA -0.084 nan 4.640 nan 0.000 0.197 353 D C 1.281 177.578 176.300 -0.005 0.000 0.987 353 D CA 2.283 56.280 54.000 -0.006 0.000 0.829 353 D CB -0.039 40.758 40.800 -0.005 0.000 0.961 353 D HN -0.628 7.651 8.370 -0.011 0.085 0.460 354 E N -2.271 117.926 120.200 -0.006 0.000 2.230 354 E HA -0.047 nan 4.350 nan 0.000 0.192 354 E C 0.392 176.990 176.600 -0.004 0.000 0.987 354 E CA 1.467 57.864 56.400 -0.004 0.000 0.841 354 E CB 1.108 30.806 29.700 -0.002 0.000 0.783 354 E HN -0.290 8.066 8.360 -0.007 0.000 0.481 355 L N -0.090 121.129 121.223 -0.008 0.000 2.603 355 L HA 0.451 nan 4.340 nan 0.000 0.242 355 L C -2.797 174.067 176.870 -0.010 0.000 1.169 355 L CA -2.964 51.871 54.840 -0.009 0.000 1.029 355 L CB 0.006 42.057 42.059 -0.013 0.000 1.361 355 L HN -0.598 7.526 8.230 -0.010 0.101 0.439 356 P HA -0.005 nan 4.420 nan 0.000 0.271 356 P C 0.383 177.679 177.300 -0.006 0.000 1.216 356 P CA 0.529 63.626 63.100 -0.006 0.000 0.776 356 P CB 0.091 31.790 31.700 -0.003 0.000 0.881 357 G N 0.892 109.688 108.800 -0.006 0.000 2.258 357 G HA2 -0.346 nan 3.960 nan 0.000 0.233 357 G HA3 -0.346 nan 3.960 nan 0.000 0.233 357 G C -0.465 174.429 174.900 -0.010 0.000 1.006 357 G CA -0.160 44.936 45.100 -0.006 0.000 0.620 357 G HN 0.407 8.693 8.290 -0.007 0.000 0.511 358 V N -2.299 117.607 119.914 -0.014 0.000 3.003 358 V HA 0.176 nan 4.120 nan 0.000 0.305 358 V C -0.529 175.552 176.094 -0.022 0.000 1.078 358 V CA -1.328 60.961 62.300 -0.018 0.000 1.083 358 V CB 0.166 31.976 31.823 -0.022 0.000 1.039 358 V HN -0.632 7.475 8.190 -0.014 0.074 0.481 359 K N 3.260 123.647 120.400 -0.023 0.000 2.389 359 K HA 0.364 nan 4.320 nan 0.000 0.261 359 K C -1.987 174.586 176.600 -0.045 0.000 1.014 359 K CA -1.218 55.050 56.287 -0.032 0.000 0.920 359 K CB 1.130 33.620 32.500 -0.018 0.000 1.149 359 K HN 0.221 8.771 8.250 -0.018 -0.311 0.444 360 L N 4.301 125.483 121.223 -0.069 0.000 2.356 360 L HA 0.746 nan 4.340 nan 0.000 0.277 360 L C -2.005 174.772 176.870 -0.155 0.000 0.996 360 L CA -1.135 53.647 54.840 -0.096 0.000 0.822 360 L CB 2.698 44.706 42.059 -0.086 0.000 1.256 360 L HN 0.501 8.690 8.230 -0.068 0.000 0.413 361 M N 7.151 126.621 119.600 -0.217 0.000 2.243 361 M HA 0.453 nan 4.480 nan 0.000 0.324 361 M C -1.983 174.007 176.300 -0.518 0.000 1.031 361 M CA -1.016 54.085 55.300 -0.332 0.000 0.949 361 M CB 4.000 36.366 32.600 -0.390 0.000 1.615 361 M HN 0.532 8.717 8.290 -0.176 0.000 0.430 362 T N 7.738 122.002 114.554 -0.483 0.000 2.727 362 T HA 0.078 nan 4.350 nan 0.000 0.295 362 T C -0.196 174.047 174.700 -0.761 0.000 0.915 362 T CA 0.091 61.841 62.100 -0.584 0.000 1.066 362 T CB -0.813 67.771 68.868 -0.474 0.000 0.891 362 T HN 0.369 8.383 8.240 -0.377 0.000 0.516 363 N N 7.594 125.863 118.700 -0.718 0.000 2.407 363 N HA -0.214 nan 4.740 nan 0.000 0.250 363 N C -0.487 174.865 175.510 -0.263 0.000 1.236 363 N CA 1.280 54.133 53.050 -0.329 0.000 0.879 363 N CB 0.887 39.331 38.487 -0.072 0.000 1.088 363 N HN -0.077 7.822 8.380 -0.801 0.000 0.450 364 H N 4.794 123.908 119.070 0.073 0.000 2.946 364 H HA 0.236 nan 4.556 nan 0.000 0.365 364 H C 0.437 175.810 175.328 0.075 0.000 1.197 364 H CA -0.407 55.673 56.048 0.053 0.000 1.131 364 H CB 3.648 33.432 29.762 0.036 0.000 1.849 364 H HN 0.401 8.780 8.280 0.165 0.000 0.555 365 G N 0.471 109.387 108.800 0.194 0.000 2.147 365 G HA2 -0.376 nan 3.960 nan 0.000 0.244 365 G HA3 -0.376 nan 3.960 nan 0.000 0.244 365 G C 0.088 175.042 174.900 0.090 0.000 1.005 365 G CA -0.172 44.995 45.100 0.112 0.000 0.713 365 G HN 0.590 8.989 8.290 0.182 0.000 0.515 366 G N -0.674 108.183 108.800 0.095 0.000 2.564 366 G HA2 -0.415 nan 3.960 nan 0.000 0.273 366 G HA3 -0.415 nan 3.960 nan 0.000 0.273 366 G C -1.431 173.503 174.900 0.057 0.000 1.242 366 G CA 0.264 45.398 45.100 0.058 0.000 0.951 366 G HN -0.153 8.178 8.290 0.122 0.032 0.564 367 G N -2.750 106.053 108.800 0.006 0.000 2.742 367 G HA2 -0.234 nan 3.960 nan 0.000 0.686 367 G HA3 -0.234 nan 3.960 nan 0.000 0.686 367 G C -2.519 172.336 174.900 -0.075 0.000 1.220 367 G CA -0.925 44.172 45.100 -0.006 0.000 0.783 367 G HN 0.064 8.342 8.290 -0.021 0.000 0.646 368 N N -0.550 118.078 118.700 -0.120 0.000 2.415 368 N HA -0.020 nan 4.740 nan 0.000 0.248 368 N C 0.862 176.258 175.510 -0.191 0.000 1.271 368 N CA -1.275 51.627 53.050 -0.247 0.000 0.913 368 N CB 0.612 38.985 38.487 -0.190 0.000 1.129 368 N HN -0.165 8.167 8.380 -0.081 0.000 0.444 369 F N -0.215 119.590 119.950 -0.240 0.000 2.236 369 F HA -0.371 nan 4.527 nan 0.000 0.302 369 F C 2.158 177.583 175.800 -0.626 0.000 1.073 369 F CA 2.456 60.128 58.000 -0.547 0.000 1.336 369 F CB -0.782 37.810 39.000 -0.679 0.000 1.040 369 F HN 0.433 8.305 8.300 -0.714 0.000 0.507 370 K N -0.841 119.476 120.400 -0.139 0.000 2.025 370 K HA -0.321 nan 4.320 nan 0.000 0.207 370 K C 2.147 178.767 176.600 0.033 0.000 1.049 370 K CA 2.909 59.176 56.287 -0.034 0.000 0.933 370 K CB -0.769 31.728 32.500 -0.005 0.000 0.714 370 K HN -0.313 7.906 8.250 -0.114 -0.037 0.438 371 K N -0.340 120.070 120.400 0.017 0.000 2.025 371 K HA -0.227 nan 4.320 nan 0.000 0.207 371 K C 2.551 179.215 176.600 0.106 0.000 1.049 371 K CA 2.393 58.711 56.287 0.052 0.000 0.933 371 K CB -0.382 32.139 32.500 0.035 0.000 0.714 371 K HN -0.493 7.997 8.250 -0.018 -0.251 0.438 372 Q N -1.132 118.753 119.800 0.142 0.000 2.135 372 Q HA -0.333 nan 4.340 nan 0.000 0.204 372 Q C 2.708 178.923 176.000 0.358 0.000 0.981 372 Q CA 3.125 59.098 55.803 0.283 0.000 0.856 372 Q CB -0.072 28.878 28.738 0.354 0.000 0.902 372 Q HN -0.332 7.991 8.270 0.088 0.000 0.425 373 F N -1.148 118.881 119.950 0.132 0.000 2.171 373 F HA -0.254 nan 4.527 nan 0.000 0.300 373 F C 1.861 177.656 175.800 -0.007 0.000 1.090 373 F CA 0.755 58.796 58.000 0.069 0.000 1.293 373 F CB -1.124 37.922 39.000 0.077 0.000 1.013 373 F HN -0.078 8.357 8.300 0.238 0.008 0.486 374 A N -1.126 121.811 122.820 0.195 0.000 1.969 374 A HA -0.308 nan 4.320 nan 0.000 0.218 374 A C 2.254 179.818 177.584 -0.034 0.000 1.169 374 A CA 3.045 55.118 52.037 0.061 0.000 0.635 374 A CB -0.762 18.265 19.000 0.046 0.000 0.810 374 A HN -0.284 7.908 8.150 0.220 0.090 0.445 375 R N -1.577 118.893 120.500 -0.049 0.000 2.092 375 R HA -0.322 nan 4.340 nan 0.000 0.231 375 R C 2.115 178.254 176.300 -0.268 0.000 1.119 375 R CA 3.121 59.130 56.100 -0.151 0.000 0.970 375 R CB -0.094 30.190 30.300 -0.027 0.000 0.864 375 R HN 0.029 8.198 8.270 0.029 0.119 0.440 376 A N -0.431 122.128 122.820 -0.434 0.000 1.883 376 A HA -0.287 nan 4.320 nan 0.000 0.217 376 A C 1.997 179.547 177.584 -0.057 0.000 1.186 376 A CA 3.188 55.023 52.037 -0.338 0.000 0.624 376 A CB -1.022 17.912 19.000 -0.109 0.000 0.822 376 A HN -0.022 7.862 8.150 -0.308 0.081 0.444 377 D N -2.018 118.343 120.400 -0.066 0.000 2.123 377 D HA -0.289 nan 4.640 nan 0.000 0.196 377 D C 1.970 178.221 176.300 -0.081 0.000 0.992 377 D CA 2.797 56.767 54.000 -0.050 0.000 0.833 377 D CB -0.188 40.586 40.800 -0.043 0.000 0.954 377 D HN -0.546 7.785 8.370 -0.065 0.000 0.455 378 K N -0.011 120.283 120.400 -0.176 0.000 2.044 378 K HA -0.271 nan 4.320 nan 0.000 0.210 378 K C 1.830 178.245 176.600 -0.309 0.000 1.049 378 K CA 2.573 58.660 56.287 -0.332 0.000 0.927 378 K CB 0.143 32.294 32.500 -0.582 0.000 0.713 378 K HN -0.342 7.707 8.250 -0.177 0.095 0.443 379 W N -4.549 116.696 121.300 -0.092 0.000 2.678 379 W HA -0.105 nan 4.660 nan 0.000 0.256 379 W C -0.060 176.441 176.519 -0.029 0.000 1.280 379 W CA 0.450 57.768 57.345 -0.045 0.000 1.345 379 W CB 0.970 30.414 29.460 -0.027 0.000 1.118 379 W HN -0.560 7.571 8.180 -0.082 0.000 0.629 380 G N -4.777 104.114 108.800 0.152 0.000 2.142 380 G HA2 -0.481 nan 3.960 nan 0.000 0.225 380 G HA3 -0.481 nan 3.960 nan 0.000 0.225 380 G C -0.763 174.186 174.900 0.083 0.000 1.015 380 G CA -0.344 44.807 45.100 0.085 0.000 0.716 380 G HN -0.436 7.765 8.290 0.106 0.152 0.508 381 A N -1.593 121.291 122.820 0.106 0.000 2.520 381 A HA -0.094 nan 4.320 nan 0.000 0.245 381 A C -0.089 177.513 177.584 0.030 0.000 1.072 381 A CA 0.279 52.367 52.037 0.085 0.000 0.761 381 A CB 0.570 19.654 19.000 0.140 0.000 1.004 381 A HN -0.574 7.658 8.150 0.135 0.000 0.499 382 R N 2.839 123.344 120.500 0.009 0.000 2.140 382 R HA 0.080 nan 4.340 nan 0.000 0.213 382 R C -0.703 175.572 176.300 -0.042 0.000 1.059 382 R CA 1.823 57.911 56.100 -0.021 0.000 1.000 382 R CB 0.989 31.274 30.300 -0.025 0.000 0.910 382 R HN 0.178 8.366 8.270 0.014 0.091 0.455 383 V N -4.005 115.888 119.914 -0.034 0.000 2.823 383 V HA 0.621 nan 4.120 nan 0.000 0.312 383 V C -2.194 173.885 176.094 -0.025 0.000 1.072 383 V CA -1.841 60.426 62.300 -0.055 0.000 0.937 383 V CB 3.797 35.579 31.823 -0.069 0.000 1.013 383 V HN -0.467 7.715 8.190 -0.012 0.000 0.430 384 A N 4.507 127.297 122.820 -0.049 0.000 2.356 384 A HA 0.845 nan 4.320 nan 0.000 0.310 384 A C -2.351 175.225 177.584 -0.014 0.000 1.075 384 A CA -1.767 50.265 52.037 -0.008 0.000 0.746 384 A CB 3.163 22.120 19.000 -0.071 0.000 1.221 384 A HN 0.954 8.952 8.150 -0.083 0.102 0.443 385 V N 4.173 124.090 119.914 0.005 0.000 2.277 385 V HA 0.402 nan 4.120 nan 0.000 0.269 385 V C -0.471 175.627 176.094 0.006 0.000 1.036 385 V CA -0.748 61.550 62.300 -0.004 0.000 0.821 385 V CB -0.221 31.591 31.823 -0.018 0.000 1.052 385 V HN 0.038 8.235 8.190 0.013 0.000 0.462 386 V N 8.552 128.470 119.914 0.005 0.000 2.881 386 V HA 0.269 nan 4.120 nan 0.000 0.303 386 V C -1.075 174.996 176.094 -0.039 0.000 1.070 386 V CA -0.278 62.004 62.300 -0.031 0.000 1.074 386 V CB 0.852 32.614 31.823 -0.102 0.000 1.012 386 V HN 0.501 8.691 8.190 -0.000 0.000 0.482 387 L N 4.794 126.001 121.223 -0.027 0.000 2.440 387 L HA 0.266 nan 4.340 nan 0.000 0.261 387 L C -1.195 175.727 176.870 0.087 0.000 1.382 387 L CA -0.230 54.623 54.840 0.021 0.000 0.871 387 L CB 1.120 43.194 42.059 0.024 0.000 1.052 387 L HN -0.319 7.890 8.230 -0.036 0.000 0.509 388 G N 0.761 109.623 108.800 0.102 0.000 2.489 388 G HA2 0.007 nan 3.960 nan 0.000 0.271 388 G HA3 0.007 nan 3.960 nan 0.000 0.271 388 G C 0.033 175.004 174.900 0.119 0.000 1.427 388 G CA -0.444 44.777 45.100 0.202 0.000 1.057 388 G HN -0.565 7.838 8.290 0.037 -0.091 0.532 389 E N -0.713 119.553 120.200 0.111 0.000 2.072 389 E HA -0.194 nan 4.350 nan 0.000 0.190 389 E C 2.348 178.979 176.600 0.051 0.000 0.982 389 E CA 3.389 59.828 56.400 0.066 0.000 0.803 389 E CB -0.172 29.560 29.700 0.053 0.000 0.755 389 E HN 0.479 8.923 8.360 0.140 0.000 0.453 390 S N -0.207 115.525 115.700 0.055 0.000 2.348 390 S HA -0.242 nan 4.470 nan 0.000 0.221 390 S C 1.906 176.525 174.600 0.031 0.000 1.033 390 S CA 2.863 61.086 58.200 0.039 0.000 1.010 390 S CB -0.551 62.674 63.200 0.041 0.000 0.891 390 S HN -0.024 8.328 8.310 0.071 0.000 0.442 391 E N 0.813 121.033 120.200 0.034 0.000 2.097 391 E HA -0.262 nan 4.350 nan 0.000 0.196 391 E C 2.370 178.983 176.600 0.021 0.000 1.000 391 E CA 3.136 59.551 56.400 0.024 0.000 0.804 391 E CB -0.689 29.024 29.700 0.022 0.000 0.740 391 E HN 0.218 8.605 8.360 0.045 0.000 0.454 392 V N -4.968 114.962 119.914 0.027 0.000 2.343 392 V HA -0.240 nan 4.120 nan 0.000 0.247 392 V C 2.154 178.258 176.094 0.017 0.000 1.051 392 V CA 3.564 65.877 62.300 0.022 0.000 1.036 392 V CB -1.215 30.624 31.823 0.026 0.000 0.654 392 V HN -0.614 7.597 8.190 0.036 0.000 0.451 393 A N 1.207 124.038 122.820 0.018 0.000 1.855 393 A HA -0.205 nan 4.320 nan 0.000 0.215 393 A C 1.588 179.178 177.584 0.011 0.000 1.191 393 A CA 2.954 54.999 52.037 0.014 0.000 0.613 393 A CB -0.371 18.638 19.000 0.015 0.000 0.829 393 A HN -0.235 7.928 8.150 0.022 0.000 0.442 394 N N -4.027 114.679 118.700 0.011 0.000 2.609 394 N HA -0.060 nan 4.740 nan 0.000 0.190 394 N C 0.420 175.933 175.510 0.004 0.000 1.157 394 N CA -0.235 52.819 53.050 0.007 0.000 0.918 394 N CB -0.084 38.407 38.487 0.008 0.000 0.978 394 N HN -0.209 8.180 8.380 0.014 0.000 0.448 395 G N -1.047 107.756 108.800 0.006 0.000 2.249 395 G HA2 -0.376 nan 3.960 nan 0.000 0.273 395 G HA3 -0.376 nan 3.960 nan 0.000 0.273 395 G C -1.172 173.728 174.900 0.001 0.000 1.036 395 G CA 0.956 46.058 45.100 0.003 0.000 0.824 395 G HN -0.431 7.668 8.290 0.008 0.197 0.504 396 T N -3.801 110.754 114.554 0.002 0.000 2.768 396 T HA 0.911 nan 4.350 nan 0.000 0.268 396 T C -1.733 172.969 174.700 0.003 0.000 0.969 396 T CA -2.691 59.408 62.100 -0.001 0.000 1.008 396 T CB 3.368 72.235 68.868 -0.003 0.000 1.371 396 T HN -0.380 7.844 8.240 0.006 0.019 0.587 397 A N -2.273 120.548 122.820 0.002 0.000 2.582 397 A HA 0.279 nan 4.320 nan 0.000 0.297 397 A C -2.659 174.929 177.584 0.006 0.000 1.059 397 A CA 0.191 52.230 52.037 0.004 0.000 0.705 397 A CB 2.502 21.506 19.000 0.007 0.000 1.279 397 A HN 0.004 8.153 8.150 -0.001 0.000 0.404 398 V N 2.133 122.047 119.914 -0.000 0.000 2.465 398 V HA 0.471 nan 4.120 nan 0.000 0.279 398 V C -0.842 175.262 176.094 0.018 0.000 1.045 398 V CA -0.228 62.075 62.300 0.005 0.000 0.938 398 V CB 1.273 33.087 31.823 -0.015 0.000 0.986 398 V HN 0.089 8.272 8.190 -0.010 0.000 0.467 399 V N 8.481 128.425 119.914 0.050 0.000 2.275 399 V HA 0.273 nan 4.120 nan 0.000 0.272 399 V C -0.610 175.488 176.094 0.007 0.000 1.028 399 V CA -1.320 61.012 62.300 0.052 0.000 0.810 399 V CB -0.500 31.427 31.823 0.175 0.000 1.043 399 V HN 0.790 8.911 8.190 0.065 0.108 0.453 400 K N 8.330 128.700 120.400 -0.049 0.000 2.297 400 K HA 0.157 nan 4.320 nan 0.000 0.286 400 K C -1.708 174.820 176.600 -0.120 0.000 1.053 400 K CA -0.900 55.324 56.287 -0.107 0.000 0.940 400 K CB 0.927 33.298 32.500 -0.215 0.000 1.019 400 K HN 0.569 8.790 8.250 -0.048 0.000 0.475 401 D N 6.235 126.571 120.400 -0.106 0.000 2.456 401 D HA 0.261 nan 4.640 nan 0.000 0.219 401 D C 0.502 176.735 176.300 -0.112 0.000 1.126 401 D CA -1.733 52.205 54.000 -0.102 0.000 0.890 401 D CB 0.272 41.023 40.800 -0.082 0.000 1.025 401 D HN 0.100 8.418 8.370 -0.086 0.000 0.511 402 L N 3.895 125.042 121.223 -0.126 0.000 2.081 402 L HA -0.357 nan 4.340 nan 0.000 0.212 402 L C 1.287 178.103 176.870 -0.089 0.000 1.080 402 L CA 2.950 57.710 54.840 -0.132 0.000 0.754 402 L CB -0.266 41.723 42.059 -0.116 0.000 0.893 402 L HN 0.002 8.161 8.230 -0.118 0.000 0.433 403 R N -3.429 117.029 120.500 -0.069 0.000 2.236 403 R HA -0.095 nan 4.340 nan 0.000 0.208 403 R C 1.145 177.419 176.300 -0.044 0.000 1.036 403 R CA 1.812 57.881 56.100 -0.050 0.000 1.001 403 R CB -0.079 30.196 30.300 -0.042 0.000 0.896 403 R HN -0.071 8.238 8.270 -0.071 -0.081 0.464 404 S N -4.074 111.597 115.700 -0.048 0.000 2.687 404 S HA 0.261 nan 4.470 nan 0.000 0.247 404 S C 1.211 175.788 174.600 -0.037 0.000 1.050 404 S CA -0.143 58.035 58.200 -0.036 0.000 1.063 404 S CB 1.735 64.916 63.200 -0.031 0.000 1.039 404 S HN -0.372 8.099 8.310 -0.059 -0.196 0.580 405 G N 2.276 111.043 108.800 -0.055 0.000 2.234 405 G HA2 -0.476 nan 3.960 nan 0.000 0.260 405 G HA3 -0.476 nan 3.960 nan 0.000 0.260 405 G C -0.893 173.981 174.900 -0.043 0.000 0.987 405 G CA 0.442 45.507 45.100 -0.057 0.000 0.625 405 G HN 0.390 8.639 8.290 -0.069 0.000 0.532 406 E N 2.022 122.204 120.200 -0.031 0.000 2.366 406 E HA -0.141 nan 4.350 nan 0.000 0.266 406 E C -1.046 175.546 176.600 -0.013 0.000 1.015 406 E CA 0.470 56.862 56.400 -0.013 0.000 0.906 406 E CB 0.166 29.864 29.700 -0.004 0.000 0.979 406 E HN -0.329 7.906 8.360 -0.033 0.105 0.443 407 Q N 1.186 120.987 119.800 0.001 0.000 2.413 407 Q HA 0.601 nan 4.340 nan 0.000 0.276 407 Q C -1.169 174.852 176.000 0.035 0.000 1.099 407 Q CA -1.946 53.863 55.803 0.011 0.000 0.814 407 Q CB 3.760 32.494 28.738 -0.007 0.000 1.379 407 Q HN 0.086 8.359 8.270 0.005 0.000 0.436 408 T N -4.014 110.576 114.554 0.059 0.000 2.993 408 T HA 0.362 nan 4.350 nan 0.000 0.312 408 T C -1.377 173.335 174.700 0.020 0.000 1.115 408 T CA -0.698 61.425 62.100 0.038 0.000 1.027 408 T CB 2.802 71.696 68.868 0.043 0.000 1.116 408 T HN 0.047 8.334 8.240 0.078 0.000 0.464 409 A N 3.801 126.618 122.820 -0.005 0.000 2.401 409 A HA 0.704 nan 4.320 nan 0.000 0.259 409 A C -0.812 176.748 177.584 -0.040 0.000 1.103 409 A CA -0.249 51.781 52.037 -0.012 0.000 0.789 409 A CB 0.607 19.602 19.000 -0.009 0.000 1.035 409 A HN 0.241 8.387 8.150 -0.007 0.000 0.491 410 V N 1.679 121.572 119.914 -0.035 0.000 2.925 410 V HA 0.221 nan 4.120 nan 0.000 0.311 410 V C -0.879 175.194 176.094 -0.034 0.000 1.104 410 V CA -1.154 61.108 62.300 -0.063 0.000 0.954 410 V CB 4.034 35.803 31.823 -0.090 0.000 1.022 410 V HN 0.631 8.813 8.190 -0.013 0.000 0.427 411 A N 2.129 124.926 122.820 -0.038 0.000 2.492 411 A HA -0.023 nan 4.320 nan 0.000 0.236 411 A C 1.232 178.807 177.584 -0.014 0.000 1.078 411 A CA 0.939 52.963 52.037 -0.022 0.000 0.773 411 A CB 0.340 19.327 19.000 -0.023 0.000 1.023 411 A HN 0.200 8.319 8.150 -0.053 0.000 0.504 412 Q N 1.598 121.394 119.800 -0.007 0.000 2.297 412 Q HA -0.309 nan 4.340 nan 0.000 0.204 412 Q C 2.453 178.452 176.000 -0.001 0.000 0.962 412 Q CA 3.284 59.086 55.803 -0.002 0.000 0.879 412 Q CB 0.083 28.820 28.738 -0.000 0.000 0.947 412 Q HN 0.215 8.481 8.270 -0.006 0.000 0.462 413 D N -0.659 119.738 120.400 -0.005 0.000 2.264 413 D HA -0.135 nan 4.640 nan 0.000 0.208 413 D C 0.891 177.190 176.300 -0.002 0.000 0.966 413 D CA 2.737 56.735 54.000 -0.004 0.000 0.864 413 D CB -0.365 40.431 40.800 -0.006 0.000 0.933 413 D HN 0.531 8.869 8.370 -0.007 0.028 0.499 414 S N -1.661 114.035 115.700 -0.007 0.000 2.540 414 S HA 0.203 nan 4.470 nan 0.000 0.218 414 S C 0.596 175.207 174.600 0.018 0.000 0.977 414 S CA -0.151 58.045 58.200 -0.006 0.000 0.918 414 S CB 0.817 63.997 63.200 -0.033 0.000 0.806 414 S HN -0.655 7.503 8.310 -0.011 0.145 0.496 415 V N 2.208 122.137 119.914 0.026 0.000 2.295 415 V HA -0.432 nan 4.120 nan 0.000 0.246 415 V C 0.970 177.107 176.094 0.072 0.000 1.049 415 V CA 4.437 66.774 62.300 0.062 0.000 1.024 415 V CB -0.990 30.857 31.823 0.040 0.000 0.648 415 V HN -0.632 7.448 8.190 0.013 0.117 0.447 416 A N -1.034 121.808 122.820 0.037 0.000 1.873 416 A HA -0.457 nan 4.320 nan 0.000 0.218 416 A C 1.389 178.995 177.584 0.037 0.000 1.193 416 A CA 3.539 55.592 52.037 0.026 0.000 0.629 416 A CB -1.002 18.006 19.000 0.013 0.000 0.826 416 A HN 0.240 8.405 8.150 0.025 0.000 0.447 417 A N -3.317 119.530 122.820 0.045 0.000 1.972 417 A HA -0.283 nan 4.320 nan 0.000 0.219 417 A C 1.778 179.421 177.584 0.100 0.000 1.169 417 A CA 2.773 54.841 52.037 0.052 0.000 0.635 417 A CB -0.760 18.264 19.000 0.039 0.000 0.810 417 A HN 0.253 8.425 8.150 0.038 0.000 0.446 418 H N 0.167 119.230 119.070 -0.012 0.000 2.357 418 H HA -0.160 nan 4.556 nan 0.000 0.301 418 H C 2.140 177.459 175.328 -0.015 0.000 1.082 418 H CA 2.362 58.402 56.048 -0.014 0.000 1.342 418 H CB -0.059 29.694 29.762 -0.015 0.000 1.389 418 H HN -0.560 7.697 8.280 0.169 0.125 0.511 419 L N -1.052 120.166 121.223 -0.008 0.000 2.056 419 L HA -0.416 nan 4.340 nan 0.000 0.207 419 L C 1.896 178.728 176.870 -0.064 0.000 1.078 419 L CA 3.204 57.994 54.840 -0.084 0.000 0.749 419 L CB -0.584 41.451 42.059 -0.040 0.000 0.901 419 L HN 0.239 8.509 8.230 0.067 0.000 0.433 420 R N -1.323 119.163 120.500 -0.022 0.000 2.096 420 R HA -0.471 nan 4.340 nan 0.000 0.240 420 R C 2.229 178.514 176.300 -0.025 0.000 1.139 420 R CA 4.146 60.236 56.100 -0.017 0.000 0.952 420 R CB -0.141 30.159 30.300 0.001 0.000 0.854 420 R HN -0.052 8.218 8.270 0.000 0.000 0.436 421 T N 1.384 115.925 114.554 -0.022 0.000 2.674 421 T HA -0.221 nan 4.350 nan 0.000 0.265 421 T C 2.815 177.480 174.700 -0.059 0.000 1.039 421 T CA 4.174 66.260 62.100 -0.023 0.000 1.150 421 T CB -0.514 68.362 68.868 0.012 0.000 0.864 421 T HN -0.664 7.573 8.240 -0.005 0.001 0.427 422 L N 0.785 121.937 121.223 -0.118 0.000 2.081 422 L HA -0.439 nan 4.340 nan 0.000 0.212 422 L C 1.961 178.783 176.870 -0.081 0.000 1.080 422 L CA 2.967 57.729 54.840 -0.130 0.000 0.754 422 L CB -0.185 41.750 42.059 -0.206 0.000 0.893 422 L HN -0.353 7.782 8.230 -0.158 0.000 0.433 423 L N -5.778 115.405 121.223 -0.066 0.000 2.341 423 L HA -0.182 nan 4.340 nan 0.000 0.214 423 L C 0.866 177.715 176.870 -0.035 0.000 1.115 423 L CA 0.430 55.242 54.840 -0.046 0.000 0.820 423 L CB -0.057 41.979 42.059 -0.039 0.000 0.944 423 L HN -0.164 8.006 8.230 -0.069 0.018 0.452 424 G N 0.000 108.781 108.800 -0.032 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 424 G HN 0.000 8.268 8.290 -0.036 0.000 0.925