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 2h8x_1_A DATA FIRST_RESID 3 DATA SEQUENCE ALFEPYTLKD VTLRNRIAIP PMCQYMAEDG MINDWHHVHL AGLARGGAGL DATA SEQUENCE LVVEATAVAP EGRITPGCAG IWSDAHAQAF VPVVQAIKAA GSVPGIQIAH DATA SEQUENCE AGRKASANRP WEGDDHIAAD DTRGWETIAP SAIAFGAHLP KVPREMTLDD DATA SEQUENCE IARVKQDFVD AARRARDAGF EWIELHFAHG YLGQSFFSEH SNKRTDAYGG DATA SEQUENCE SFDNRSRFLL ETLAAVREVW PENLPLTARF GVLEYDGRDE QTLEESIELA DATA SEQUENCE RRFKAGGLDL LSVSVGFTIP DTNIPWGPAF MGPIAERVRR EAKLPVTSAW DATA SEQUENCE GFGTPQLAEA ALQANQLDLV SVGRAHLADP HWAYFAAKEL GVEKASWTLP DATA SEQUENCE APYAHWLE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.593 177.584 0.016 0.000 1.274 3 A CA 0.000 52.068 52.037 0.051 0.000 0.836 3 A CB 0.000 19.019 19.000 0.032 0.000 0.831 4 L N -0.299 120.919 121.223 -0.009 0.000 2.191 4 L HA 0.157 4.498 4.340 0.002 0.000 0.212 4 L C 1.132 177.768 176.870 -0.389 0.000 1.103 4 L CA 2.223 56.950 54.840 -0.189 0.000 0.769 4 L CB -0.555 41.367 42.059 -0.228 0.000 0.908 4 L HN 0.399 nan 8.230 nan 0.000 0.438 5 F N -0.449 119.523 119.950 0.036 0.000 2.668 5 F HA 0.269 4.797 4.527 0.002 0.000 0.297 5 F C 0.818 176.648 175.800 0.050 0.000 1.124 5 F CA -0.583 57.443 58.000 0.043 0.000 1.353 5 F CB -0.145 38.872 39.000 0.030 0.000 0.992 5 F HN 0.024 nan 8.300 nan 0.000 0.524 6 E N 1.413 121.689 120.200 0.127 0.000 2.301 6 E HA 0.217 4.568 4.350 0.002 0.000 0.275 6 E C -2.264 174.405 176.600 0.115 0.000 1.030 6 E CA -2.009 54.462 56.400 0.117 0.000 0.852 6 E CB 0.689 30.445 29.700 0.093 0.000 1.060 6 E HN -0.040 nan 8.360 nan 0.000 0.401 7 P HA -0.008 nan 4.420 nan 0.000 0.272 7 P C -1.363 176.063 177.300 0.210 0.000 1.240 7 P CA 0.108 63.292 63.100 0.141 0.000 0.791 7 P CB 0.329 32.094 31.700 0.108 0.000 0.978 8 Y N -0.194 120.138 120.300 0.053 0.000 2.396 8 Y HA 0.421 4.973 4.550 0.002 0.000 0.332 8 Y C -1.140 174.811 175.900 0.086 0.000 1.034 8 Y CA -0.373 57.766 58.100 0.065 0.000 1.057 8 Y CB 1.180 39.680 38.460 0.066 0.000 1.220 8 Y HN 0.160 nan 8.280 nan 0.000 0.440 9 T N 7.563 121.891 114.554 -0.377 0.000 2.779 9 T HA 0.570 4.921 4.350 0.002 0.000 0.280 9 T C -1.693 172.690 174.700 -0.529 0.000 0.987 9 T CA -0.428 61.481 62.100 -0.317 0.000 0.966 9 T CB 0.914 69.699 68.868 -0.139 0.000 0.933 9 T HN 0.486 nan 8.240 nan 0.000 0.442 10 L N 5.007 126.036 121.223 -0.323 0.000 2.404 10 L HA 0.537 4.878 4.340 0.002 0.000 0.272 10 L C 0.092 176.908 176.870 -0.091 0.000 0.980 10 L CA -0.195 54.505 54.840 -0.232 0.000 0.836 10 L CB 0.711 42.690 42.059 -0.133 0.000 1.238 10 L HN 0.484 nan 8.230 nan 0.000 0.408 11 K N 2.204 122.556 120.400 -0.082 0.000 1.844 11 K HA -0.255 4.066 4.320 0.002 0.000 0.160 11 K C 0.113 176.691 176.600 -0.037 0.000 1.448 11 K CA 1.765 58.023 56.287 -0.048 0.000 0.446 11 K CB -0.879 31.599 32.500 -0.035 0.000 0.635 11 K HN 0.730 nan 8.250 nan 0.000 0.848 12 D N 1.004 121.392 120.400 -0.020 0.000 2.339 12 D HA 0.162 4.804 4.640 0.002 0.000 0.217 12 D C -0.168 176.139 176.300 0.012 0.000 1.050 12 D CA 0.244 54.236 54.000 -0.012 0.000 0.856 12 D CB 0.265 41.052 40.800 -0.021 0.000 0.922 12 D HN 0.093 nan 8.370 nan 0.000 0.518 13 V N 0.629 120.565 119.914 0.038 0.000 2.472 13 V HA 0.359 4.481 4.120 0.002 0.000 0.290 13 V C 0.425 176.560 176.094 0.068 0.000 1.037 13 V CA -0.324 62.029 62.300 0.088 0.000 0.908 13 V CB 1.984 33.925 31.823 0.196 0.000 0.985 13 V HN -0.110 nan 8.190 nan 0.000 0.454 14 T N 6.309 120.904 114.554 0.068 0.000 2.809 14 T HA 0.563 4.915 4.350 0.002 0.000 0.284 14 T C -0.382 174.372 174.700 0.089 0.000 0.992 14 T CA -0.344 61.791 62.100 0.058 0.000 0.957 14 T CB 0.760 69.650 68.868 0.038 0.000 0.942 14 T HN 0.355 nan 8.240 nan 0.000 0.439 15 L N 3.970 125.266 121.223 0.123 0.000 2.312 15 L HA 0.467 4.809 4.340 0.002 0.000 0.281 15 L C 2.025 178.959 176.870 0.107 0.000 1.070 15 L CA -0.893 54.014 54.840 0.111 0.000 0.805 15 L CB 1.098 43.237 42.059 0.132 0.000 1.174 15 L HN 0.719 nan 8.230 nan 0.000 0.434 16 R N 1.430 121.983 120.500 0.089 0.000 2.237 16 R HA -0.054 4.288 4.340 0.002 0.000 0.219 16 R C -0.157 176.217 176.300 0.124 0.000 1.080 16 R CA 0.900 57.063 56.100 0.105 0.000 0.995 16 R CB -0.406 29.958 30.300 0.107 0.000 0.875 16 R HN 0.870 nan 8.270 nan 0.000 0.462 17 N N -1.545 117.208 118.700 0.088 0.000 3.106 17 N HA 0.182 4.923 4.740 0.002 0.000 0.253 17 N C -0.648 174.846 175.510 -0.027 0.000 1.506 17 N CA -1.131 51.937 53.050 0.030 0.000 0.876 17 N CB 0.605 39.073 38.487 -0.032 0.000 1.452 17 N HN -0.259 nan 8.380 nan 0.000 0.542 18 R N -0.185 120.244 120.500 -0.119 0.000 2.356 18 R HA 0.392 4.733 4.340 0.002 0.000 0.234 18 R C -0.230 175.982 176.300 -0.147 0.000 0.929 18 R CA -0.168 55.849 56.100 -0.139 0.000 1.084 18 R CB -0.981 29.222 30.300 -0.161 0.000 1.105 18 R HN 0.629 nan 8.270 nan 0.000 0.515 19 I N 1.479 121.977 120.570 -0.119 0.000 2.337 19 I HA 0.228 4.399 4.170 0.002 0.000 0.291 19 I C 0.205 176.285 176.117 -0.062 0.000 1.046 19 I CA -0.475 60.805 61.300 -0.033 0.000 1.324 19 I CB 1.268 39.331 38.000 0.105 0.000 1.409 19 I HN -0.075 nan 8.210 nan 0.000 0.494 20 A N 7.874 130.636 122.820 -0.097 0.000 2.342 20 A HA 0.754 5.075 4.320 0.002 0.000 0.323 20 A C -0.523 176.979 177.584 -0.138 0.000 1.125 20 A CA -0.556 51.385 52.037 -0.160 0.000 0.785 20 A CB 0.819 19.701 19.000 -0.196 0.000 1.221 20 A HN 0.688 nan 8.150 nan 0.000 0.463 21 I N 4.709 125.163 120.570 -0.193 0.000 2.297 21 I HA 0.277 4.448 4.170 0.002 0.000 0.291 21 I C -1.901 174.147 176.117 -0.115 0.000 1.033 21 I CA -1.953 59.226 61.300 -0.202 0.000 1.253 21 I CB 1.678 39.471 38.000 -0.345 0.000 1.396 21 I HN 0.503 nan 8.210 nan 0.000 0.476 22 P HA 0.170 nan 4.420 nan 0.000 0.272 22 P C -2.597 174.720 177.300 0.029 0.000 1.240 22 P CA -1.549 61.552 63.100 0.003 0.000 0.791 22 P CB -0.184 31.554 31.700 0.063 0.000 0.978 23 P HA 0.135 nan 4.420 nan 0.000 0.267 23 P C -0.489 176.876 177.300 0.109 0.000 1.205 23 P CA 0.751 63.883 63.100 0.052 0.000 0.765 23 P CB 0.267 31.969 31.700 0.003 0.000 0.828 24 M N 2.904 122.587 119.600 0.137 0.000 2.060 24 M HA 0.183 4.664 4.480 0.002 0.000 0.275 24 M C -0.392 175.988 176.300 0.132 0.000 0.919 24 M CA -0.561 54.837 55.300 0.163 0.000 0.970 24 M CB 1.484 34.202 32.600 0.196 0.000 1.670 24 M HN 0.270 nan 8.290 nan 0.000 0.440 25 C N 2.762 122.086 119.300 0.039 0.000 2.563 25 C HA -0.027 4.435 4.460 0.002 0.000 0.411 25 C C 1.637 176.517 174.990 -0.184 0.000 1.386 25 C CA 0.231 59.124 59.018 -0.209 0.000 1.703 25 C CB 0.096 27.468 27.740 -0.613 0.000 2.596 25 C HN 0.746 nan 8.230 nan 0.000 0.605 26 Q N 0.647 120.357 119.800 -0.150 0.000 2.316 26 Q HA 0.102 4.443 4.340 0.002 0.000 0.235 26 Q C 0.293 176.406 176.000 0.189 0.000 0.863 26 Q CA 0.137 55.981 55.803 0.068 0.000 0.939 26 Q CB 0.027 28.824 28.738 0.097 0.000 1.108 26 Q HN 0.920 nan 8.270 nan 0.000 0.522 27 Y N -0.651 119.737 120.300 0.148 0.000 3.825 27 Y HA -0.242 4.309 4.550 0.002 0.000 0.221 27 Y C 1.016 176.961 175.900 0.075 0.000 1.195 27 Y CA 0.690 58.836 58.100 0.077 0.000 1.699 27 Y CB -1.882 36.521 38.460 -0.094 0.000 1.531 27 Y HN 0.147 nan 8.280 nan 0.000 0.640 28 M N -1.190 118.506 119.600 0.160 0.000 2.313 28 M HA 0.429 4.910 4.480 0.002 0.000 0.273 28 M C 1.200 177.666 176.300 0.277 0.000 1.049 28 M CA 0.391 55.730 55.300 0.065 0.000 1.004 28 M CB 0.039 32.424 32.600 -0.358 0.000 1.461 28 M HN 0.281 nan 8.290 nan 0.000 0.514 29 A N 1.135 124.151 122.820 0.327 0.000 2.286 29 A HA 0.477 4.798 4.320 0.002 0.000 0.286 29 A C -0.184 177.488 177.584 0.147 0.000 1.097 29 A CA -0.251 51.919 52.037 0.220 0.000 0.821 29 A CB 0.710 19.760 19.000 0.084 0.000 1.076 29 A HN 0.360 nan 8.150 nan 0.000 0.490 30 E N 0.430 120.688 120.200 0.097 0.000 2.218 30 E HA 0.361 4.712 4.350 0.002 0.000 0.263 30 E C -1.176 175.481 176.600 0.094 0.000 0.879 30 E CA -0.566 55.892 56.400 0.096 0.000 0.762 30 E CB 0.598 30.342 29.700 0.073 0.000 1.166 30 E HN 0.640 nan 8.360 nan 0.000 0.415 31 D N 3.636 124.130 120.400 0.156 0.000 2.751 31 D HA -0.226 4.415 4.640 0.002 0.000 0.233 31 D C 0.775 177.258 176.300 0.305 0.000 1.149 31 D CA 1.609 55.756 54.000 0.244 0.000 0.682 31 D CB -1.257 39.655 40.800 0.187 0.000 1.068 31 D HN 0.973 nan 8.370 nan 0.000 0.429 32 G N -1.444 107.479 108.800 0.205 0.000 2.234 32 G HA2 -0.353 3.608 3.960 0.002 0.000 0.260 32 G HA3 -0.353 3.608 3.960 0.002 0.000 0.260 32 G C 0.395 175.262 174.900 -0.055 0.000 0.987 32 G CA 0.604 45.703 45.100 -0.002 0.000 0.625 32 G HN 0.355 nan 8.290 nan 0.000 0.532 33 M N 1.871 121.393 119.600 -0.129 0.000 2.146 33 M HA 0.439 4.921 4.480 0.002 0.000 0.352 33 M C 1.349 177.492 176.300 -0.261 0.000 1.343 33 M CA -0.774 54.354 55.300 -0.286 0.000 1.115 33 M CB 0.218 32.636 32.600 -0.303 0.000 1.657 33 M HN 0.452 nan 8.290 nan 0.000 0.471 34 I N 2.225 122.523 120.570 -0.452 0.000 3.079 34 I HA 0.488 4.659 4.170 0.002 0.000 0.295 34 I C 0.055 176.054 176.117 -0.197 0.000 1.094 34 I CA -0.580 60.355 61.300 -0.609 0.000 1.295 34 I CB 0.665 38.078 38.000 -0.978 0.000 1.443 34 I HN 0.782 nan 8.210 nan 0.000 0.607 35 N N -0.051 118.747 118.700 0.162 0.000 3.506 35 N HA 0.208 4.950 4.740 0.002 0.000 0.331 35 N C -0.153 175.518 175.510 0.269 0.000 1.631 35 N CA -0.598 52.563 53.050 0.186 0.000 0.786 35 N CB -0.019 38.580 38.487 0.187 0.000 2.023 35 N HN 0.627 nan 8.380 nan 0.000 0.621 36 D N -1.339 119.172 120.400 0.184 0.000 2.309 36 D HA -0.121 4.520 4.640 0.002 0.000 0.212 36 D C 0.761 177.167 176.300 0.176 0.000 0.968 36 D CA 0.705 54.800 54.000 0.158 0.000 0.882 36 D CB -0.008 40.845 40.800 0.088 0.000 0.918 36 D HN 0.511 nan 8.370 nan 0.000 0.503 37 W N 0.610 121.963 121.300 0.088 0.000 2.354 37 W HA -0.220 4.441 4.660 0.002 0.000 0.315 37 W C 1.461 177.966 176.519 -0.022 0.000 1.206 37 W CA 1.640 58.964 57.345 -0.034 0.000 1.290 37 W CB -0.603 28.735 29.460 -0.204 0.000 1.152 37 W HN 0.188 nan 8.180 nan 0.000 0.489 38 H N -1.554 117.600 119.070 0.140 0.000 2.353 38 H HA -0.192 4.365 4.556 0.002 0.000 0.300 38 H C 2.384 177.749 175.328 0.061 0.000 1.090 38 H CA 2.224 58.345 56.048 0.122 0.000 1.327 38 H CB -1.143 28.734 29.762 0.191 0.000 1.383 38 H HN 0.248 nan 8.280 nan 0.000 0.508 39 H N 0.715 119.853 119.070 0.113 0.000 2.290 39 H HA -0.111 4.447 4.556 0.002 0.000 0.298 39 H C 2.121 177.435 175.328 -0.024 0.000 1.087 39 H CA 1.916 57.989 56.048 0.043 0.000 1.291 39 H CB -0.148 29.628 29.762 0.024 0.000 1.369 39 H HN 0.225 nan 8.280 nan 0.000 0.492 40 V N 0.775 120.686 119.914 -0.004 0.000 2.358 40 V HA -0.232 3.889 4.120 0.002 0.000 0.246 40 V C 2.528 178.499 176.094 -0.206 0.000 1.047 40 V CA 2.174 64.412 62.300 -0.104 0.000 1.035 40 V CB -0.879 30.883 31.823 -0.101 0.000 0.658 40 V HN 0.537 nan 8.190 nan 0.000 0.452 41 H N 0.331 119.144 119.070 -0.427 0.000 2.290 41 H HA -0.155 4.402 4.556 0.002 0.000 0.298 41 H C 2.000 177.218 175.328 -0.184 0.000 1.087 41 H CA 2.215 58.020 56.048 -0.406 0.000 1.291 41 H CB -0.284 29.128 29.762 -0.584 0.000 1.369 41 H HN 0.329 nan 8.280 nan 0.000 0.492 42 L N -0.400 120.681 121.223 -0.236 0.000 2.072 42 L HA -0.024 4.317 4.340 0.002 0.000 0.205 42 L C 2.914 179.661 176.870 -0.205 0.000 1.079 42 L CA 0.901 55.606 54.840 -0.226 0.000 0.752 42 L CB -0.680 41.365 42.059 -0.023 0.000 0.906 42 L HN 0.442 nan 8.230 nan 0.000 0.436 43 A N 0.455 123.129 122.820 -0.242 0.000 1.933 43 A HA -0.114 4.207 4.320 0.002 0.000 0.218 43 A C 2.401 179.916 177.584 -0.116 0.000 1.175 43 A CA 1.701 53.608 52.037 -0.215 0.000 0.628 43 A CB -1.241 17.557 19.000 -0.337 0.000 0.814 43 A HN 0.437 nan 8.150 nan 0.000 0.444 44 G N -0.233 108.500 108.800 -0.112 0.000 2.418 44 G HA2 -0.157 3.805 3.960 0.002 0.000 0.217 44 G HA3 -0.157 3.805 3.960 0.002 0.000 0.217 44 G C 1.555 176.468 174.900 0.023 0.000 1.158 44 G CA 1.023 46.112 45.100 -0.018 0.000 0.771 44 G HN 0.431 nan 8.290 nan 0.000 0.545 45 L N 0.573 121.744 121.223 -0.087 0.000 2.056 45 L HA -0.017 4.324 4.340 0.002 0.000 0.207 45 L C 3.407 180.264 176.870 -0.022 0.000 1.078 45 L CA 0.913 55.715 54.840 -0.064 0.000 0.749 45 L CB -0.353 41.567 42.059 -0.232 0.000 0.901 45 L HN 0.306 nan 8.230 nan 0.000 0.433 46 A N 0.268 123.055 122.820 -0.054 0.000 1.902 46 A HA -0.210 4.112 4.320 0.002 0.000 0.217 46 A C 2.315 179.906 177.584 0.012 0.000 1.181 46 A CA 1.495 53.513 52.037 -0.031 0.000 0.623 46 A CB -0.468 18.503 19.000 -0.049 0.000 0.818 46 A HN 0.350 nan 8.150 nan 0.000 0.443 47 R N -0.705 119.812 120.500 0.028 0.000 2.235 47 R HA -0.030 4.311 4.340 0.002 0.000 0.213 47 R C 2.092 178.417 176.300 0.042 0.000 1.059 47 R CA 0.615 56.736 56.100 0.035 0.000 0.997 47 R CB -0.410 29.924 30.300 0.058 0.000 0.884 47 R HN 0.518 nan 8.270 nan 0.000 0.462 48 G N -0.277 108.596 108.800 0.122 0.000 2.509 48 G HA2 -0.029 3.933 3.960 0.002 0.000 0.218 48 G HA3 -0.029 3.933 3.960 0.002 0.000 0.218 48 G C 0.996 175.994 174.900 0.163 0.000 1.124 48 G CA 0.837 46.041 45.100 0.175 0.000 0.776 48 G HN 0.484 nan 8.290 nan 0.000 0.547 49 G N -1.347 107.537 108.800 0.142 0.000 2.284 49 G HA2 0.175 4.137 3.960 0.002 0.000 0.201 49 G HA3 0.175 4.137 3.960 0.002 0.000 0.201 49 G C 0.602 175.617 174.900 0.191 0.000 0.998 49 G CA 0.293 45.500 45.100 0.178 0.000 0.651 49 G HN 1.325 nan 8.290 nan 0.000 0.489 50 A N 0.766 123.689 122.820 0.171 0.000 2.531 50 A HA 0.556 4.877 4.320 0.002 0.000 0.236 50 A C 1.778 179.384 177.584 0.037 0.000 1.062 50 A CA 1.476 53.577 52.037 0.105 0.000 0.760 50 A CB 0.387 19.386 19.000 -0.002 0.000 0.995 50 A HN 1.553 nan 8.150 nan 0.000 0.501 51 G N 0.588 109.395 108.800 0.012 0.000 2.421 51 G HA2 0.263 4.224 3.960 0.002 0.000 0.217 51 G HA3 0.263 4.224 3.960 0.002 0.000 0.217 51 G C 0.298 175.157 174.900 -0.068 0.000 1.143 51 G CA 1.253 46.351 45.100 -0.004 0.000 0.784 51 G HN 0.876 nan 8.290 nan 0.000 0.541 52 L N -0.326 120.810 121.223 -0.144 0.000 2.431 52 L HA 0.755 5.096 4.340 0.002 0.000 0.266 52 L C -1.766 174.961 176.870 -0.239 0.000 0.978 52 L CA -1.183 53.502 54.840 -0.259 0.000 0.822 52 L CB 2.363 44.119 42.059 -0.504 0.000 1.310 52 L HN -0.056 nan 8.230 nan 0.000 0.409 53 L N 6.210 127.314 121.223 -0.200 0.000 2.342 53 L HA 0.643 4.984 4.340 0.002 0.000 0.276 53 L C -1.386 175.417 176.870 -0.111 0.000 0.997 53 L CA -0.346 54.404 54.840 -0.150 0.000 0.838 53 L CB 1.701 43.701 42.059 -0.098 0.000 1.224 53 L HN 0.388 nan 8.230 nan 0.000 0.416 54 V N 6.004 125.843 119.914 -0.125 0.000 2.364 54 V HA 0.353 4.474 4.120 0.002 0.000 0.272 54 V C 0.440 176.532 176.094 -0.004 0.000 1.036 54 V CA -0.736 61.518 62.300 -0.077 0.000 0.880 54 V CB 1.377 33.140 31.823 -0.101 0.000 0.991 54 V HN 0.537 nan 8.190 nan 0.000 0.460 55 V N 5.697 125.630 119.914 0.031 0.000 2.872 55 V HA 0.035 4.157 4.120 0.002 0.000 0.307 55 V C 1.029 177.149 176.094 0.043 0.000 1.072 55 V CA -0.285 62.068 62.300 0.089 0.000 1.148 55 V CB 0.616 32.510 31.823 0.119 0.000 0.954 55 V HN 1.087 nan 8.190 nan 0.000 0.490 56 E N 3.652 123.924 120.200 0.120 0.000 2.461 56 E HA 0.163 4.514 4.350 0.002 0.000 0.263 56 E C 0.241 176.865 176.600 0.041 0.000 1.143 56 E CA -0.145 56.310 56.400 0.092 0.000 0.994 56 E CB 0.430 30.206 29.700 0.126 0.000 0.973 56 E HN 0.811 nan 8.360 nan 0.000 0.457 57 A N 2.571 125.418 122.820 0.044 0.000 2.553 57 A HA 0.067 4.388 4.320 0.002 0.000 0.258 57 A C -0.148 177.448 177.584 0.020 0.000 1.069 57 A CA 0.353 52.422 52.037 0.053 0.000 0.767 57 A CB -0.378 18.702 19.000 0.133 0.000 0.997 57 A HN 0.518 nan 8.150 nan 0.000 0.512 58 T N 3.012 117.554 114.554 -0.020 0.000 2.772 58 T HA 0.537 4.888 4.350 0.002 0.000 0.288 58 T C 0.462 175.135 174.700 -0.044 0.000 0.994 58 T CA 0.345 62.436 62.100 -0.014 0.000 0.951 58 T CB 1.244 70.067 68.868 -0.075 0.000 0.933 58 T HN 1.071 nan 8.240 nan 0.000 0.447 59 A N 2.652 125.478 122.820 0.009 0.000 2.520 59 A HA 0.295 4.616 4.320 0.002 0.000 0.245 59 A C 1.635 179.223 177.584 0.008 0.000 1.072 59 A CA -0.376 51.658 52.037 -0.004 0.000 0.761 59 A CB -0.014 19.031 19.000 0.074 0.000 1.004 59 A HN 1.013 nan 8.150 nan 0.000 0.499 60 V N -0.278 119.548 119.914 -0.146 0.000 3.306 60 V HA 0.500 4.622 4.120 0.002 0.000 0.264 60 V C 0.757 176.845 176.094 -0.009 0.000 1.149 60 V CA 1.044 63.246 62.300 -0.163 0.000 1.143 60 V CB -1.436 30.082 31.823 -0.509 0.000 0.767 60 V HN 1.622 nan 8.190 nan 0.000 0.476 61 A N -0.707 122.071 122.820 -0.070 0.000 2.594 61 A HA 0.785 5.106 4.320 0.002 0.000 0.295 61 A C -2.362 174.804 177.584 -0.697 0.000 1.071 61 A CA -0.993 50.871 52.037 -0.287 0.000 0.685 61 A CB 1.059 19.960 19.000 -0.165 0.000 1.285 61 A HN 0.026 nan 8.150 nan 0.000 0.405 62 P HA -0.206 nan 4.420 nan 0.000 0.215 62 P C 1.214 177.813 177.300 -1.167 0.000 1.157 62 P CA 1.863 63.980 63.100 -1.638 0.000 0.874 62 P CB 0.234 31.018 31.700 -1.526 0.000 0.790 63 E N -0.059 119.594 120.200 -0.912 0.000 2.478 63 E HA -0.035 4.316 4.350 0.002 0.000 0.198 63 E C 1.690 178.080 176.600 -0.350 0.000 1.046 63 E CA 1.348 57.286 56.400 -0.769 0.000 0.870 63 E CB -1.351 28.173 29.700 -0.294 0.000 0.818 63 E HN 0.220 nan 8.360 nan 0.000 0.527 64 G N 0.893 109.291 108.800 -0.670 0.000 3.042 64 G HA2 -0.000 3.961 3.960 0.002 0.000 0.212 64 G HA3 -0.000 3.961 3.960 0.002 0.000 0.212 64 G C 0.705 175.405 174.900 -0.335 0.000 1.166 64 G CA -0.532 43.972 45.100 -0.993 0.000 0.767 64 G HN 0.049 nan 8.290 nan 0.000 0.546 65 R N -0.375 120.042 120.500 -0.140 0.000 2.641 65 R HA 0.351 4.692 4.340 0.002 0.000 0.269 65 R C 1.064 177.515 176.300 0.253 0.000 1.074 65 R CA -0.373 55.772 56.100 0.074 0.000 1.133 65 R CB 1.063 31.437 30.300 0.122 0.000 1.029 65 R HN 0.089 nan 8.270 nan 0.000 0.488 66 I N 0.121 120.782 120.570 0.152 0.000 2.333 66 I HA -0.116 4.055 4.170 0.002 0.000 0.246 66 I C 1.238 177.481 176.117 0.211 0.000 1.106 66 I CA 1.020 62.409 61.300 0.149 0.000 1.411 66 I CB -0.038 38.028 38.000 0.108 0.000 1.082 66 I HN 0.712 nan 8.210 nan 0.000 0.420 67 T N -3.736 110.986 114.554 0.279 0.000 2.838 67 T HA 0.365 4.716 4.350 0.002 0.000 0.292 67 T C -2.439 172.486 174.700 0.376 0.000 1.113 67 T CA -1.661 60.590 62.100 0.252 0.000 1.008 67 T CB 1.605 70.588 68.868 0.192 0.000 1.259 67 T HN -0.318 nan 8.240 nan 0.000 0.520 68 P HA 0.176 nan 4.420 nan 0.000 0.234 68 P C 1.183 178.616 177.300 0.222 0.000 1.167 68 P CA 0.628 63.912 63.100 0.306 0.000 0.763 68 P CB -0.212 31.620 31.700 0.219 0.000 0.835 69 G N -2.125 106.802 108.800 0.211 0.000 3.126 69 G HA2 0.021 3.982 3.960 0.002 0.000 0.224 69 G HA3 0.021 3.982 3.960 0.002 0.000 0.224 69 G C 0.111 175.124 174.900 0.189 0.000 1.142 69 G CA -0.011 45.209 45.100 0.200 0.000 0.759 69 G HN 0.229 nan 8.290 nan 0.000 0.550 70 C N 1.522 120.930 119.300 0.180 0.000 2.605 70 C HA 0.661 5.122 4.460 0.002 0.000 0.404 70 C C 1.305 176.367 174.990 0.121 0.000 1.284 70 C CA -0.829 58.256 59.018 0.111 0.000 2.199 70 C CB 0.348 28.154 27.740 0.110 0.000 2.647 70 C HN 0.575 nan 8.230 nan 0.000 0.604 71 A N 2.498 125.370 122.820 0.087 0.000 2.366 71 A HA 0.667 4.989 4.320 0.002 0.000 0.249 71 A C 0.481 178.105 177.584 0.066 0.000 1.084 71 A CA 0.290 52.361 52.037 0.057 0.000 0.794 71 A CB 0.084 19.146 19.000 0.103 0.000 1.034 71 A HN 1.233 nan 8.150 nan 0.000 0.491 72 G N -1.286 107.488 108.800 -0.044 0.000 2.672 72 G HA2 0.559 4.520 3.960 0.002 0.000 0.292 72 G HA3 0.559 4.520 3.960 0.002 0.000 0.292 72 G C -0.737 174.003 174.900 -0.267 0.000 1.375 72 G CA -0.239 44.718 45.100 -0.238 0.000 0.890 72 G HN 1.065 nan 8.290 nan 0.000 0.476 73 I N 0.513 120.919 120.570 -0.273 0.000 3.064 73 I HA 0.227 4.398 4.170 0.002 0.000 0.323 73 I C 0.354 176.383 176.117 -0.147 0.000 1.501 73 I CA -0.731 60.492 61.300 -0.127 0.000 0.890 73 I CB 0.079 38.066 38.000 -0.022 0.000 1.602 73 I HN 0.673 nan 8.210 nan 0.000 0.586 74 W N 2.007 123.135 121.300 -0.287 0.000 3.292 74 W HA 0.457 5.118 4.660 0.002 0.000 0.263 74 W C 0.393 176.838 176.519 -0.123 0.000 1.318 74 W CA -0.016 57.194 57.345 -0.226 0.000 1.663 74 W CB -0.858 28.432 29.460 -0.284 0.000 1.114 74 W HN 0.232 nan 8.180 nan 0.000 0.706 75 S N -1.230 114.428 115.700 -0.071 0.000 2.570 75 S HA 0.232 4.703 4.470 0.002 0.000 0.270 75 S C 0.194 174.854 174.600 0.099 0.000 1.149 75 S CA -0.493 57.770 58.200 0.105 0.000 0.837 75 S CB 1.399 64.728 63.200 0.215 0.000 1.124 75 S HN -0.070 nan 8.310 nan 0.000 0.465 76 D N 1.515 121.970 120.400 0.091 0.000 2.178 76 D HA 0.032 4.674 4.640 0.002 0.000 0.201 76 D C 2.122 178.456 176.300 0.058 0.000 0.980 76 D CA 1.761 55.806 54.000 0.075 0.000 0.842 76 D CB -0.590 40.246 40.800 0.060 0.000 0.948 76 D HN 0.709 nan 8.370 nan 0.000 0.472 77 A N 0.294 123.134 122.820 0.033 0.000 1.930 77 A HA -0.203 4.119 4.320 0.002 0.000 0.217 77 A C 1.812 179.327 177.584 -0.116 0.000 1.175 77 A CA 1.438 53.445 52.037 -0.050 0.000 0.627 77 A CB -0.787 18.156 19.000 -0.096 0.000 0.815 77 A HN 0.259 nan 8.150 nan 0.000 0.443 78 H N -0.360 118.621 119.070 -0.148 0.000 2.353 78 H HA 0.079 4.637 4.556 0.002 0.000 0.300 78 H C 2.435 177.768 175.328 0.007 0.000 1.090 78 H CA 1.635 57.564 56.048 -0.197 0.000 1.327 78 H CB -0.149 29.379 29.762 -0.390 0.000 1.383 78 H HN 0.513 nan 8.280 nan 0.000 0.508 79 A N 0.643 123.594 122.820 0.217 0.000 1.898 79 A HA -0.211 4.110 4.320 0.002 0.000 0.216 79 A C 2.117 179.863 177.584 0.270 0.000 1.181 79 A CA 1.557 53.786 52.037 0.319 0.000 0.620 79 A CB -0.427 18.691 19.000 0.196 0.000 0.819 79 A HN 0.468 nan 8.150 nan 0.000 0.442 80 Q N -0.623 119.249 119.800 0.120 0.000 2.226 80 Q HA -0.087 4.254 4.340 0.002 0.000 0.204 80 Q C 2.241 178.259 176.000 0.030 0.000 0.975 80 Q CA 1.095 56.939 55.803 0.067 0.000 0.866 80 Q CB -0.380 28.369 28.738 0.019 0.000 0.915 80 Q HN 0.701 nan 8.270 nan 0.000 0.440 81 A N -0.041 122.755 122.820 -0.041 0.000 2.070 81 A HA -0.133 4.189 4.320 0.002 0.000 0.220 81 A C 1.486 178.974 177.584 -0.160 0.000 1.159 81 A CA 0.920 52.859 52.037 -0.163 0.000 0.656 81 A CB -0.449 18.355 19.000 -0.326 0.000 0.800 81 A HN 0.304 nan 8.150 nan 0.000 0.453 82 F N -0.832 119.140 119.950 0.038 0.000 2.512 82 F HA -0.024 4.504 4.527 0.002 0.000 0.296 82 F C 2.231 178.025 175.800 -0.011 0.000 1.110 82 F CA 0.656 58.700 58.000 0.074 0.000 1.446 82 F CB -0.321 38.813 39.000 0.223 0.000 1.092 82 F HN 0.008 nan 8.300 nan 0.000 0.554 83 V N 1.300 121.300 119.914 0.142 0.000 2.252 83 V HA -0.274 3.848 4.120 0.002 0.000 0.249 83 V C -0.285 175.825 176.094 0.026 0.000 1.056 83 V CA 2.230 64.555 62.300 0.042 0.000 1.022 83 V CB -1.704 30.138 31.823 0.032 0.000 0.641 83 V HN 0.183 nan 8.190 nan 0.000 0.445 84 P HA -0.070 nan 4.420 nan 0.000 0.218 84 P C 1.816 179.213 177.300 0.163 0.000 1.149 84 P CA 1.053 64.202 63.100 0.082 0.000 0.817 84 P CB -0.036 31.690 31.700 0.044 0.000 0.785 85 V N -0.709 119.309 119.914 0.173 0.000 2.323 85 V HA -0.165 3.956 4.120 0.002 0.000 0.244 85 V C 2.434 178.523 176.094 -0.007 0.000 1.041 85 V CA 1.525 63.896 62.300 0.118 0.000 1.025 85 V CB -1.184 30.747 31.823 0.180 0.000 0.656 85 V HN -0.042 nan 8.190 nan 0.000 0.451 86 V N -0.090 119.778 119.914 -0.077 0.000 2.287 86 V HA -0.345 3.776 4.120 0.002 0.000 0.248 86 V C 2.508 178.527 176.094 -0.125 0.000 1.053 86 V CA 2.204 64.362 62.300 -0.236 0.000 1.027 86 V CB -0.743 30.797 31.823 -0.472 0.000 0.646 86 V HN 0.602 nan 8.190 nan 0.000 0.447 87 Q N -0.454 119.305 119.800 -0.068 0.000 2.170 87 Q HA -0.132 4.209 4.340 0.002 0.000 0.203 87 Q C 2.359 178.347 176.000 -0.019 0.000 0.976 87 Q CA 1.608 57.390 55.803 -0.035 0.000 0.858 87 Q CB -0.355 28.376 28.738 -0.011 0.000 0.907 87 Q HN 0.693 nan 8.270 nan 0.000 0.433 88 A N 0.738 123.551 122.820 -0.011 0.000 1.929 88 A HA -0.110 4.211 4.320 0.002 0.000 0.216 88 A C 1.999 179.547 177.584 -0.059 0.000 1.176 88 A CA 0.805 52.823 52.037 -0.031 0.000 0.628 88 A CB -0.421 18.527 19.000 -0.086 0.000 0.816 88 A HN 0.270 nan 8.150 nan 0.000 0.444 89 I N -0.389 120.140 120.570 -0.068 0.000 2.226 89 I HA -0.268 3.904 4.170 0.002 0.000 0.245 89 I C 2.420 178.516 176.117 -0.035 0.000 1.100 89 I CA 1.501 62.768 61.300 -0.056 0.000 1.374 89 I CB -0.262 37.710 38.000 -0.046 0.000 1.057 89 I HN 0.285 nan 8.210 nan 0.000 0.413 90 K N 0.957 121.336 120.400 -0.035 0.000 2.057 90 K HA -0.108 4.213 4.320 0.002 0.000 0.206 90 K C 2.267 178.859 176.600 -0.013 0.000 1.050 90 K CA 1.423 57.698 56.287 -0.020 0.000 0.935 90 K CB -0.287 32.199 32.500 -0.024 0.000 0.715 90 K HN 0.285 nan 8.250 nan 0.000 0.439 91 A N 1.502 124.312 122.820 -0.017 0.000 1.978 91 A HA -0.126 4.195 4.320 0.002 0.000 0.220 91 A C 2.223 179.800 177.584 -0.012 0.000 1.170 91 A CA 1.860 53.890 52.037 -0.012 0.000 0.636 91 A CB -0.517 18.477 19.000 -0.011 0.000 0.810 91 A HN 0.343 nan 8.150 nan 0.000 0.448 92 A N -2.092 120.718 122.820 -0.017 0.000 2.238 92 A HA 0.413 4.734 4.320 0.002 0.000 0.208 92 A C 1.815 179.400 177.584 0.002 0.000 1.177 92 A CA 1.183 53.212 52.037 -0.014 0.000 0.804 92 A CB -0.824 18.163 19.000 -0.022 0.000 0.823 92 A HN 1.873 nan 8.150 nan 0.000 0.482 93 G N -1.115 107.688 108.800 0.005 0.000 2.157 93 G HA2 -0.218 3.743 3.960 0.002 0.000 0.248 93 G HA3 -0.218 3.743 3.960 0.002 0.000 0.248 93 G C 0.405 175.318 174.900 0.022 0.000 0.979 93 G CA 0.573 45.685 45.100 0.019 0.000 0.650 93 G HN 1.036 nan 8.290 nan 0.000 0.529 94 S N -1.020 114.685 115.700 0.008 0.000 2.654 94 S HA 0.671 5.143 4.470 0.002 0.000 0.283 94 S C 0.550 175.150 174.600 -0.001 0.000 1.180 94 S CA -0.222 57.977 58.200 -0.000 0.000 1.021 94 S CB 1.572 64.761 63.200 -0.019 0.000 1.018 94 S HN 0.799 nan 8.310 nan 0.000 0.532 95 V N 6.141 126.050 119.914 -0.009 0.000 2.461 95 V HA 0.369 4.491 4.120 0.002 0.000 0.275 95 V C -1.950 174.156 176.094 0.019 0.000 1.047 95 V CA -1.573 60.739 62.300 0.020 0.000 0.955 95 V CB 1.091 32.932 31.823 0.029 0.000 0.988 95 V HN 0.732 nan 8.190 nan 0.000 0.471 96 P HA 0.357 nan 4.420 nan 0.000 0.287 96 P C -0.172 177.357 177.300 0.381 0.000 1.294 96 P CA 0.147 63.342 63.100 0.159 0.000 0.776 96 P CB 1.626 33.345 31.700 0.031 0.000 0.889 97 G N 3.090 112.077 108.800 0.312 0.000 2.600 97 G HA2 0.739 4.700 3.960 0.002 0.000 0.303 97 G HA3 0.739 4.700 3.960 0.002 0.000 0.303 97 G C -1.597 173.331 174.900 0.046 0.000 1.253 97 G CA -0.873 44.397 45.100 0.284 0.000 0.974 97 G HN 0.580 nan 8.290 nan 0.000 0.483 98 I N -0.732 119.691 120.570 -0.244 0.000 2.775 98 I HA 0.406 4.577 4.170 0.002 0.000 0.295 98 I C -1.096 174.813 176.117 -0.346 0.000 1.287 98 I CA -0.773 60.210 61.300 -0.528 0.000 1.029 98 I CB 2.415 39.582 38.000 -1.388 0.000 1.282 98 I HN 0.522 nan 8.210 nan 0.000 0.426 99 Q N 7.843 127.495 119.800 -0.246 0.000 2.314 99 Q HA 0.531 4.872 4.340 0.002 0.000 0.259 99 Q C -1.212 174.687 176.000 -0.168 0.000 0.951 99 Q CA -0.777 54.919 55.803 -0.178 0.000 0.909 99 Q CB 1.278 29.942 28.738 -0.123 0.000 1.236 99 Q HN 0.656 nan 8.270 nan 0.000 0.444 100 I N 0.602 121.077 120.570 -0.158 0.000 2.437 100 I HA 0.921 5.092 4.170 0.002 0.000 0.298 100 I C -0.671 175.457 176.117 0.019 0.000 0.984 100 I CA -0.645 60.570 61.300 -0.140 0.000 1.214 100 I CB 1.762 39.636 38.000 -0.210 0.000 1.365 100 I HN 0.621 nan 8.210 nan 0.000 0.469 101 A N 4.064 126.860 122.820 -0.039 0.000 2.568 101 A HA 0.714 5.035 4.320 0.002 0.000 0.291 101 A C -1.628 175.988 177.584 0.053 0.000 1.159 101 A CA -0.482 51.638 52.037 0.138 0.000 0.679 101 A CB 1.687 20.800 19.000 0.188 0.000 1.285 101 A HN 0.894 nan 8.150 nan 0.000 0.428 102 H N -0.148 119.011 119.070 0.148 0.000 3.149 102 H HA 0.539 5.096 4.556 0.002 0.000 0.334 102 H C 0.390 175.796 175.328 0.130 0.000 1.000 102 H CA 0.170 56.301 56.048 0.138 0.000 1.415 102 H CB 1.771 31.716 29.762 0.304 0.000 1.819 102 H HN 0.877 nan 8.280 nan 0.000 0.486 103 A N 3.684 126.543 122.820 0.063 0.000 2.172 103 A HA 0.160 4.481 4.320 0.002 0.000 0.216 103 A C 1.740 179.600 177.584 0.460 0.000 1.154 103 A CA 1.343 53.452 52.037 0.120 0.000 0.701 103 A CB -0.605 18.389 19.000 -0.010 0.000 0.789 103 A HN 1.177 nan 8.150 nan 0.000 0.465 104 G N 0.610 109.763 108.800 0.588 0.000 2.634 104 G HA2 -0.466 3.495 3.960 0.002 0.000 0.309 104 G HA3 -0.466 3.495 3.960 0.002 0.000 0.309 104 G C 1.058 176.133 174.900 0.293 0.000 1.265 104 G CA 1.343 46.684 45.100 0.403 0.000 0.998 104 G HN 1.163 nan 8.290 nan 0.000 0.551 105 R N 0.770 121.396 120.500 0.210 0.000 2.280 105 R HA 0.158 4.499 4.340 0.002 0.000 0.207 105 R C 1.822 178.260 176.300 0.229 0.000 1.043 105 R CA 1.663 57.872 56.100 0.182 0.000 1.006 105 R CB -0.183 30.201 30.300 0.140 0.000 0.885 105 R HN 0.482 nan 8.270 nan 0.000 0.467 106 K N 0.828 121.357 120.400 0.215 0.000 2.417 106 K HA 0.224 4.545 4.320 0.002 0.000 0.196 106 K C 0.415 177.126 176.600 0.185 0.000 1.023 106 K CA 0.094 56.449 56.287 0.112 0.000 1.122 106 K CB 0.789 33.345 32.500 0.093 0.000 0.850 106 K HN 0.237 nan 8.250 nan 0.000 0.521 107 A N 0.916 123.880 122.820 0.239 0.000 2.280 107 A HA 0.190 4.512 4.320 0.002 0.000 0.268 107 A C 0.693 178.228 177.584 -0.082 0.000 1.111 107 A CA 0.036 52.182 52.037 0.181 0.000 0.814 107 A CB 0.330 19.544 19.000 0.357 0.000 1.093 107 A HN 0.207 nan 8.150 nan 0.000 0.498 108 S N -2.363 113.004 115.700 -0.556 0.000 3.706 108 S HA -0.003 4.469 4.470 0.002 0.000 0.363 108 S C 0.054 174.387 174.600 -0.446 0.000 0.999 108 S CA 0.759 58.187 58.200 -1.287 0.000 1.143 108 S CB -1.782 60.482 63.200 -1.559 0.000 0.902 108 S HN 2.343 nan 8.310 nan 0.000 0.476 109 A N 1.355 124.041 122.820 -0.223 0.000 2.350 109 A HA 0.793 5.114 4.320 0.002 0.000 0.318 109 A C 0.067 177.573 177.584 -0.130 0.000 1.132 109 A CA -0.700 51.270 52.037 -0.111 0.000 0.811 109 A CB 0.725 19.658 19.000 -0.113 0.000 1.313 109 A HN 0.671 nan 8.150 nan 0.000 0.454 110 N N 0.065 118.683 118.700 -0.138 0.000 2.467 110 N HA 0.315 5.057 4.740 0.002 0.000 0.262 110 N C 0.042 175.374 175.510 -0.296 0.000 1.234 110 N CA -0.253 52.688 53.050 -0.181 0.000 0.952 110 N CB 0.447 38.835 38.487 -0.165 0.000 1.158 110 N HN 0.589 nan 8.380 nan 0.000 0.463 111 R N 1.437 121.669 120.500 -0.448 0.000 2.734 111 R HA -0.014 4.328 4.340 0.002 0.000 0.266 111 R C -1.552 174.216 176.300 -0.887 0.000 1.044 111 R CA -0.954 54.615 56.100 -0.886 0.000 1.128 111 R CB -0.013 29.553 30.300 -1.224 0.000 1.010 111 R HN 0.498 nan 8.270 nan 0.000 0.461 112 P HA -0.176 nan 4.420 nan 0.000 0.216 112 P C 0.304 177.432 177.300 -0.287 0.000 1.150 112 P CA 1.415 64.198 63.100 -0.530 0.000 0.843 112 P CB 0.015 31.471 31.700 -0.407 0.000 0.787 113 W N -0.748 120.421 121.300 -0.219 0.000 3.388 113 W HA 0.323 4.985 4.660 0.002 0.000 0.324 113 W C 0.113 176.561 176.519 -0.117 0.000 1.250 113 W CA -0.139 57.118 57.345 -0.146 0.000 1.809 113 W CB -0.894 28.486 29.460 -0.134 0.000 1.083 113 W HN -0.038 nan 8.180 nan 0.000 0.685 114 E N 0.306 120.339 120.200 -0.279 0.000 2.995 114 E HA 0.359 4.710 4.350 0.002 0.000 0.203 114 E C 1.279 177.790 176.600 -0.148 0.000 0.980 114 E CA 0.197 56.489 56.400 -0.180 0.000 1.172 114 E CB 0.643 30.190 29.700 -0.254 0.000 1.088 114 E HN 0.346 nan 8.360 nan 0.000 0.463 115 G N 1.770 110.497 108.800 -0.122 0.000 2.612 115 G HA2 -0.297 3.664 3.960 0.002 0.000 0.200 115 G HA3 -0.297 3.664 3.960 0.002 0.000 0.200 115 G C 0.543 175.384 174.900 -0.100 0.000 1.053 115 G CA -0.045 45.001 45.100 -0.091 0.000 0.707 115 G HN 0.359 nan 8.290 nan 0.000 0.497 116 D N 1.196 121.504 120.400 -0.154 0.000 3.077 116 D HA -0.135 4.506 4.640 0.002 0.000 0.217 116 D C 0.197 176.488 176.300 -0.016 0.000 1.162 116 D CA 2.260 56.180 54.000 -0.134 0.000 0.943 116 D CB -0.875 39.841 40.800 -0.139 0.000 1.122 116 D HN 0.963 nan 8.370 nan 0.000 0.413 117 D N -1.446 118.937 120.400 -0.028 0.000 2.392 117 D HA 0.294 4.936 4.640 0.002 0.000 0.246 117 D C 0.029 176.300 176.300 -0.049 0.000 1.013 117 D CA -0.577 53.423 54.000 0.000 0.000 0.993 117 D CB 0.079 40.903 40.800 0.040 0.000 1.219 117 D HN 0.316 nan 8.370 nan 0.000 0.538 118 H N -0.506 118.511 119.070 -0.088 0.000 3.001 118 H HA 0.132 4.689 4.556 0.002 0.000 0.334 118 H C 0.319 175.567 175.328 -0.133 0.000 1.034 118 H CA -0.284 55.681 56.048 -0.138 0.000 1.420 118 H CB 0.533 30.218 29.762 -0.128 0.000 1.405 118 H HN 0.164 nan 8.280 nan 0.000 0.593 119 I N 2.895 123.444 120.570 -0.035 0.000 2.710 119 I HA -0.025 4.146 4.170 0.002 0.000 0.286 119 I C 0.916 176.983 176.117 -0.083 0.000 1.181 119 I CA -0.264 60.981 61.300 -0.092 0.000 1.430 119 I CB 0.554 38.455 38.000 -0.166 0.000 1.367 119 I HN 0.670 nan 8.210 nan 0.000 0.577 120 A N 4.983 127.770 122.820 -0.055 0.000 2.520 120 A HA 0.256 4.578 4.320 0.002 0.000 0.235 120 A C 1.418 178.968 177.584 -0.056 0.000 1.065 120 A CA 0.430 52.441 52.037 -0.044 0.000 0.764 120 A CB 0.217 19.200 19.000 -0.029 0.000 1.002 120 A HN 0.985 nan 8.150 nan 0.000 0.502 121 A N 1.242 124.032 122.820 -0.050 0.000 1.978 121 A HA -0.141 4.181 4.320 0.002 0.000 0.220 121 A C 1.391 178.956 177.584 -0.031 0.000 1.170 121 A CA 1.956 53.964 52.037 -0.048 0.000 0.636 121 A CB -0.423 18.554 19.000 -0.039 0.000 0.810 121 A HN 0.912 nan 8.150 nan 0.000 0.448 122 D N -0.895 119.492 120.400 -0.022 0.000 2.342 122 D HA 0.026 4.668 4.640 0.002 0.000 0.221 122 D C -0.271 176.025 176.300 -0.007 0.000 1.101 122 D CA -0.263 53.731 54.000 -0.011 0.000 0.837 122 D CB -0.315 40.480 40.800 -0.008 0.000 0.938 122 D HN 0.269 nan 8.370 nan 0.000 0.508 123 D N 1.348 121.739 120.400 -0.014 0.000 2.295 123 D HA 0.000 4.641 4.640 0.002 0.000 0.248 123 D C 1.360 177.665 176.300 0.008 0.000 1.154 123 D CA 0.066 54.062 54.000 -0.007 0.000 0.857 123 D CB 1.619 42.405 40.800 -0.022 0.000 1.117 123 D HN 0.052 nan 8.370 nan 0.000 0.468 124 T N 1.653 116.220 114.554 0.022 0.000 3.098 124 T HA -0.073 4.278 4.350 0.002 0.000 0.266 124 T C 1.481 176.223 174.700 0.070 0.000 1.145 124 T CA 0.711 62.835 62.100 0.040 0.000 1.092 124 T CB 0.012 68.903 68.868 0.038 0.000 0.908 124 T HN 0.387 nan 8.240 nan 0.000 0.526 125 R N 0.736 121.278 120.500 0.070 0.000 2.246 125 R HA 0.285 4.627 4.340 0.002 0.000 0.199 125 R C 1.604 178.015 176.300 0.186 0.000 0.984 125 R CA 0.225 56.401 56.100 0.128 0.000 1.015 125 R CB -0.047 30.311 30.300 0.097 0.000 0.930 125 R HN 0.474 nan 8.270 nan 0.000 0.475 126 G N 0.906 109.742 108.800 0.061 0.000 2.599 126 G HA2 0.244 4.205 3.960 0.002 0.000 0.264 126 G HA3 0.244 4.205 3.960 0.002 0.000 0.264 126 G C -0.866 174.119 174.900 0.143 0.000 1.200 126 G CA -0.447 44.617 45.100 -0.059 0.000 0.896 126 G HN 0.335 nan 8.290 nan 0.000 0.536 127 W N -0.845 120.428 121.300 -0.045 0.000 3.066 127 W HA 0.622 5.283 4.660 0.002 0.000 0.330 127 W C -0.677 175.803 176.519 -0.064 0.000 1.253 127 W CA -1.363 55.950 57.345 -0.054 0.000 1.187 127 W CB 0.917 30.339 29.460 -0.063 0.000 1.434 127 W HN 0.662 nan 8.180 nan 0.000 0.572 128 E N 1.704 122.028 120.200 0.206 0.000 2.360 128 E HA 0.325 4.677 4.350 0.002 0.000 0.269 128 E C 0.229 176.946 176.600 0.196 0.000 1.022 128 E CA 0.023 56.480 56.400 0.095 0.000 0.887 128 E CB 0.951 30.695 29.700 0.073 0.000 0.990 128 E HN 0.473 nan 8.360 nan 0.000 0.426 129 T N 2.101 116.695 114.554 0.066 0.000 2.934 129 T HA 0.572 4.924 4.350 0.002 0.000 0.283 129 T C 0.411 175.180 174.700 0.114 0.000 1.005 129 T CA -0.904 61.275 62.100 0.132 0.000 1.041 129 T CB 0.716 69.612 68.868 0.047 0.000 1.042 129 T HN 0.479 nan 8.240 nan 0.000 0.505 130 I N -1.521 119.142 120.570 0.154 0.000 2.785 130 I HA 0.937 5.108 4.170 0.002 0.000 0.302 130 I C -0.623 175.515 176.117 0.035 0.000 1.069 130 I CA -1.560 59.786 61.300 0.078 0.000 1.045 130 I CB 1.814 39.858 38.000 0.075 0.000 1.236 130 I HN 1.046 nan 8.210 nan 0.000 0.429 131 A N 4.373 127.159 122.820 -0.058 0.000 2.564 131 A HA 0.740 5.062 4.320 0.002 0.000 0.291 131 A C -2.670 174.718 177.584 -0.326 0.000 1.102 131 A CA -1.085 50.850 52.037 -0.171 0.000 0.660 131 A CB 0.737 19.677 19.000 -0.100 0.000 1.283 131 A HN 0.520 nan 8.150 nan 0.000 0.430 132 P HA 0.025 nan 4.420 nan 0.000 0.217 132 P C 0.338 177.457 177.300 -0.301 0.000 1.150 132 P CA 1.565 64.220 63.100 -0.741 0.000 0.832 132 P CB 0.218 31.256 31.700 -1.103 0.000 0.787 133 S N -2.024 113.546 115.700 -0.217 0.000 2.595 133 S HA 0.611 5.082 4.470 0.002 0.000 0.281 133 S C -0.595 173.961 174.600 -0.072 0.000 1.117 133 S CA -0.637 57.497 58.200 -0.111 0.000 0.873 133 S CB 1.848 64.996 63.200 -0.087 0.000 1.108 133 S HN -0.010 nan 8.310 nan 0.000 0.477 134 A N 2.371 125.165 122.820 -0.044 0.000 3.026 134 A HA 0.541 4.862 4.320 0.002 0.000 0.272 134 A C -0.281 177.293 177.584 -0.016 0.000 1.782 134 A CA 0.027 52.048 52.037 -0.027 0.000 1.451 134 A CB -1.122 17.866 19.000 -0.021 0.000 1.081 134 A HN 0.640 nan 8.150 nan 0.000 0.611 135 I N 0.888 121.451 120.570 -0.010 0.000 2.569 135 I HA 0.499 4.671 4.170 0.002 0.000 0.290 135 I C 0.414 176.548 176.117 0.029 0.000 1.088 135 I CA -0.657 60.645 61.300 0.003 0.000 1.047 135 I CB 2.134 40.133 38.000 -0.002 0.000 1.237 135 I HN 0.413 nan 8.210 nan 0.000 0.421 136 A N 4.182 127.025 122.820 0.038 0.000 2.302 136 A HA 0.370 4.691 4.320 0.002 0.000 0.285 136 A C 0.430 178.076 177.584 0.103 0.000 1.105 136 A CA -0.190 51.899 52.037 0.086 0.000 0.816 136 A CB 0.312 19.358 19.000 0.077 0.000 1.067 136 A HN 0.797 nan 8.150 nan 0.000 0.489 137 F N 1.974 121.926 119.950 0.003 0.000 2.102 137 F HA 0.294 4.822 4.527 0.002 0.000 0.298 137 F C 1.325 177.103 175.800 -0.037 0.000 1.105 137 F CA 2.087 60.070 58.000 -0.028 0.000 1.239 137 F CB -0.211 38.746 39.000 -0.072 0.000 0.991 137 F HN 1.192 nan 8.300 nan 0.000 0.474 138 G N -0.541 108.325 108.800 0.109 0.000 2.500 138 G HA2 0.343 4.304 3.960 0.002 0.000 0.209 138 G HA3 0.343 4.304 3.960 0.002 0.000 0.209 138 G C 0.370 175.340 174.900 0.117 0.000 1.283 138 G CA 0.104 45.212 45.100 0.013 0.000 0.960 138 G HN 1.465 nan 8.290 nan 0.000 0.528 139 A N -1.642 121.224 122.820 0.078 0.000 5.395 139 A HA -0.244 4.077 4.320 0.002 0.000 0.324 139 A C 1.682 179.382 177.584 0.194 0.000 1.813 139 A CA 3.444 55.588 52.037 0.179 0.000 0.714 139 A CB -1.829 17.378 19.000 0.344 0.000 1.374 139 A HN 2.869 nan 8.150 nan 0.000 0.390 140 H N 0.430 119.563 119.070 0.106 0.000 2.556 140 H HA 0.441 4.999 4.556 0.002 0.000 0.268 140 H C 0.543 175.846 175.328 -0.043 0.000 0.996 140 H CA 1.175 57.236 56.048 0.022 0.000 1.157 140 H CB -0.550 29.200 29.762 -0.021 0.000 1.355 140 H HN 0.500 nan 8.280 nan 0.000 0.597 141 L N 2.958 123.990 121.223 -0.318 0.000 2.637 141 L HA 0.247 4.588 4.340 0.002 0.000 0.241 141 L C -1.843 175.107 176.870 0.133 0.000 1.398 141 L CA -1.436 53.150 54.840 -0.423 0.000 0.895 141 L CB 1.846 43.408 42.059 -0.828 0.000 1.183 141 L HN -0.031 nan 8.230 nan 0.000 0.497 142 P HA -0.091 nan 4.420 nan 0.000 0.231 142 P C 0.195 177.577 177.300 0.137 0.000 1.168 142 P CA 0.369 63.564 63.100 0.159 0.000 0.779 142 P CB 0.302 32.059 31.700 0.095 0.000 0.844 143 K N 0.705 121.196 120.400 0.152 0.000 2.472 143 K HA 0.145 4.466 4.320 0.002 0.000 0.280 143 K C -0.027 176.551 176.600 -0.038 0.000 1.028 143 K CA -0.064 56.154 56.287 -0.114 0.000 1.045 143 K CB 0.441 32.576 32.500 -0.608 0.000 0.902 143 K HN -0.097 nan 8.250 nan 0.000 0.478 144 V N 6.950 126.840 119.914 -0.039 0.000 2.455 144 V HA 0.110 4.231 4.120 0.002 0.000 0.273 144 V C -1.357 174.718 176.094 -0.031 0.000 1.045 144 V CA -1.415 60.877 62.300 -0.014 0.000 0.976 144 V CB 0.527 32.342 31.823 -0.013 0.000 0.993 144 V HN 0.777 nan 8.190 nan 0.000 0.475 145 P HA 0.252 nan 4.420 nan 0.000 0.276 145 P C -0.626 176.666 177.300 -0.012 0.000 1.252 145 P CA -0.816 62.278 63.100 -0.009 0.000 0.802 145 P CB 1.099 32.809 31.700 0.016 0.000 1.035 146 R N 0.974 121.472 120.500 -0.004 0.000 2.308 146 R HA 0.124 4.465 4.340 0.002 0.000 0.305 146 R C 0.351 176.640 176.300 -0.019 0.000 1.053 146 R CA -0.415 55.681 56.100 -0.007 0.000 0.957 146 R CB 0.352 30.656 30.300 0.006 0.000 1.022 146 R HN 0.497 nan 8.270 nan 0.000 0.461 147 E N 5.160 125.345 120.200 -0.025 0.000 2.366 147 E HA -0.022 4.329 4.350 0.002 0.000 0.266 147 E C -0.436 176.146 176.600 -0.029 0.000 1.015 147 E CA -0.085 56.291 56.400 -0.040 0.000 0.906 147 E CB 0.641 30.323 29.700 -0.030 0.000 0.979 147 E HN 0.506 nan 8.360 nan 0.000 0.443 148 M N 3.403 122.978 119.600 -0.042 0.000 2.245 148 M HA 0.053 4.534 4.480 0.002 0.000 0.344 148 M C 0.638 176.935 176.300 -0.004 0.000 1.170 148 M CA 0.108 55.397 55.300 -0.019 0.000 1.135 148 M CB 0.880 33.472 32.600 -0.013 0.000 1.574 148 M HN 0.593 nan 8.290 nan 0.000 0.452 149 T N -0.428 114.125 114.554 -0.002 0.000 2.862 149 T HA 0.403 4.754 4.350 0.002 0.000 0.276 149 T C 1.091 175.787 174.700 -0.007 0.000 0.974 149 T CA -0.983 61.120 62.100 0.005 0.000 0.966 149 T CB 0.783 69.656 68.868 0.008 0.000 1.072 149 T HN 0.653 nan 8.240 nan 0.000 0.538 150 L N -0.002 121.226 121.223 0.007 0.000 2.131 150 L HA -0.060 4.282 4.340 0.002 0.000 0.210 150 L C 2.229 179.088 176.870 -0.019 0.000 1.092 150 L CA 1.327 56.162 54.840 -0.007 0.000 0.759 150 L CB -0.583 41.507 42.059 0.050 0.000 0.903 150 L HN 0.686 nan 8.230 nan 0.000 0.435 151 D N -0.220 120.180 120.400 0.000 0.000 2.178 151 D HA -0.157 4.484 4.640 0.002 0.000 0.202 151 D C 1.831 178.131 176.300 0.000 0.000 0.974 151 D CA 0.856 54.859 54.000 0.005 0.000 0.841 151 D CB -0.051 40.756 40.800 0.011 0.000 0.953 151 D HN 0.228 nan 8.370 nan 0.000 0.478 152 D N 0.025 120.422 120.400 -0.006 0.000 2.117 152 D HA -0.082 4.560 4.640 0.002 0.000 0.197 152 D C 2.248 178.544 176.300 -0.008 0.000 0.987 152 D CA 0.484 54.483 54.000 -0.002 0.000 0.829 152 D CB -0.044 40.753 40.800 -0.005 0.000 0.961 152 D HN 0.287 nan 8.370 nan 0.000 0.460 153 I N 1.224 121.762 120.570 -0.054 0.000 2.252 153 I HA -0.232 3.939 4.170 0.002 0.000 0.245 153 I C 2.537 178.642 176.117 -0.020 0.000 1.102 153 I CA 0.882 62.124 61.300 -0.097 0.000 1.385 153 I CB -0.199 37.585 38.000 -0.360 0.000 1.064 153 I HN -0.090 nan 8.210 nan 0.000 0.414 154 A N 0.707 123.513 122.820 -0.023 0.000 1.902 154 A HA -0.225 4.096 4.320 0.002 0.000 0.217 154 A C 2.476 180.086 177.584 0.043 0.000 1.181 154 A CA 1.418 53.462 52.037 0.012 0.000 0.623 154 A CB -0.551 18.459 19.000 0.016 0.000 0.818 154 A HN 0.272 nan 8.150 nan 0.000 0.443 155 R N 0.025 120.552 120.500 0.045 0.000 2.075 155 R HA -0.076 4.265 4.340 0.002 0.000 0.232 155 R C 1.964 178.327 176.300 0.105 0.000 1.126 155 R CA 1.874 58.010 56.100 0.060 0.000 0.963 155 R CB -0.735 29.590 30.300 0.041 0.000 0.858 155 R HN 0.337 nan 8.270 nan 0.000 0.435 156 V N 1.844 121.840 119.914 0.138 0.000 2.407 156 V HA -0.219 3.902 4.120 0.002 0.000 0.248 156 V C 2.418 178.731 176.094 0.365 0.000 1.055 156 V CA 1.811 64.263 62.300 0.253 0.000 1.049 156 V CB -0.393 31.582 31.823 0.253 0.000 0.662 156 V HN 0.348 nan 8.190 nan 0.000 0.455 157 K N -0.275 120.265 120.400 0.234 0.000 2.057 157 K HA -0.259 4.062 4.320 0.002 0.000 0.207 157 K C 2.283 178.983 176.600 0.166 0.000 1.049 157 K CA 1.685 58.050 56.287 0.131 0.000 0.931 157 K CB -0.194 32.297 32.500 -0.015 0.000 0.714 157 K HN 0.321 nan 8.250 nan 0.000 0.440 158 Q N 1.470 121.346 119.800 0.127 0.000 2.167 158 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 158 Q C 1.267 177.340 176.000 0.122 0.000 0.970 158 Q CA 1.652 57.517 55.803 0.104 0.000 0.855 158 Q CB -0.054 28.728 28.738 0.074 0.000 0.911 158 Q HN 0.205 nan 8.270 nan 0.000 0.438 159 D N -0.858 119.627 120.400 0.142 0.000 2.144 159 D HA -0.135 4.506 4.640 0.002 0.000 0.199 159 D C 1.438 177.770 176.300 0.053 0.000 0.984 159 D CA 0.908 54.962 54.000 0.089 0.000 0.834 159 D CB -0.238 40.606 40.800 0.074 0.000 0.955 159 D HN 0.288 nan 8.370 nan 0.000 0.465 160 F N 0.728 120.717 119.950 0.065 0.000 2.146 160 F HA -0.151 4.377 4.527 0.002 0.000 0.298 160 F C 2.492 178.296 175.800 0.007 0.000 1.096 160 F CA 0.540 58.560 58.000 0.032 0.000 1.275 160 F CB -0.441 38.569 39.000 0.017 0.000 1.008 160 F HN -0.180 nan 8.300 nan 0.000 0.480 161 V N -0.030 120.000 119.914 0.194 0.000 2.295 161 V HA -0.300 3.822 4.120 0.002 0.000 0.246 161 V C 1.952 178.104 176.094 0.097 0.000 1.049 161 V CA 2.098 64.470 62.300 0.121 0.000 1.024 161 V CB -0.576 31.303 31.823 0.093 0.000 0.648 161 V HN 0.243 nan 8.190 nan 0.000 0.447 162 D N 0.488 120.938 120.400 0.083 0.000 2.117 162 D HA -0.136 4.505 4.640 0.002 0.000 0.197 162 D C 2.220 178.554 176.300 0.056 0.000 0.987 162 D CA 1.679 55.721 54.000 0.070 0.000 0.829 162 D CB -0.370 40.470 40.800 0.067 0.000 0.961 162 D HN 0.453 nan 8.370 nan 0.000 0.460 163 A N 1.043 123.876 122.820 0.022 0.000 1.902 163 A HA -0.037 4.285 4.320 0.002 0.000 0.217 163 A C 2.319 179.900 177.584 -0.006 0.000 1.181 163 A CA 2.200 54.221 52.037 -0.028 0.000 0.623 163 A CB -0.650 18.272 19.000 -0.131 0.000 0.818 163 A HN 0.244 nan 8.150 nan 0.000 0.443 164 A N -0.511 122.329 122.820 0.033 0.000 1.930 164 A HA -0.125 4.197 4.320 0.002 0.000 0.217 164 A C 2.278 180.003 177.584 0.235 0.000 1.175 164 A CA 1.533 53.624 52.037 0.089 0.000 0.627 164 A CB -0.491 18.558 19.000 0.083 0.000 0.815 164 A HN 0.449 nan 8.150 nan 0.000 0.443 165 R N 0.208 120.808 120.500 0.168 0.000 2.081 165 R HA -0.091 4.250 4.340 0.002 0.000 0.235 165 R C 2.165 178.551 176.300 0.143 0.000 1.131 165 R CA 1.660 57.851 56.100 0.152 0.000 0.960 165 R CB -0.409 29.953 30.300 0.102 0.000 0.856 165 R HN 0.568 nan 8.270 nan 0.000 0.436 166 R N -0.115 120.458 120.500 0.121 0.000 2.075 166 R HA -0.029 4.312 4.340 0.002 0.000 0.232 166 R C 2.384 178.790 176.300 0.176 0.000 1.126 166 R CA 1.326 57.500 56.100 0.123 0.000 0.963 166 R CB -0.349 30.007 30.300 0.094 0.000 0.858 166 R HN 0.256 nan 8.270 nan 0.000 0.435 167 A N 1.377 124.307 122.820 0.184 0.000 1.902 167 A HA -0.198 4.123 4.320 0.002 0.000 0.217 167 A C 2.147 180.019 177.584 0.480 0.000 1.181 167 A CA 1.339 53.559 52.037 0.304 0.000 0.623 167 A CB -0.503 18.538 19.000 0.068 0.000 0.818 167 A HN 0.235 nan 8.150 nan 0.000 0.443 168 R N -0.245 120.506 120.500 0.418 0.000 2.080 168 R HA -0.184 4.157 4.340 0.002 0.000 0.236 168 R C 1.118 177.478 176.300 0.101 0.000 1.137 168 R CA 2.024 58.239 56.100 0.191 0.000 0.943 168 R CB -0.445 29.881 30.300 0.043 0.000 0.846 168 R HN 0.410 nan 8.270 nan 0.000 0.431 169 D N -0.056 120.407 120.400 0.105 0.000 2.350 169 D HA -0.057 4.585 4.640 0.002 0.000 0.216 169 D C 1.313 177.657 176.300 0.073 0.000 0.968 169 D CA 1.035 55.074 54.000 0.065 0.000 0.894 169 D CB 0.121 40.957 40.800 0.061 0.000 0.909 169 D HN 0.409 nan 8.370 nan 0.000 0.520 170 A N -0.362 122.534 122.820 0.127 0.000 2.169 170 A HA 0.399 4.720 4.320 0.002 0.000 0.212 170 A C 1.855 179.416 177.584 -0.039 0.000 1.153 170 A CA 1.210 53.301 52.037 0.091 0.000 0.756 170 A CB 0.107 19.234 19.000 0.211 0.000 0.813 170 A HN 0.256 nan 8.150 nan 0.000 0.471 171 G N -2.312 106.484 108.800 -0.007 0.000 2.192 171 G HA2 -0.174 3.787 3.960 0.002 0.000 0.193 171 G HA3 -0.174 3.787 3.960 0.002 0.000 0.193 171 G C 0.018 174.883 174.900 -0.058 0.000 0.999 171 G CA -0.204 44.854 45.100 -0.071 0.000 0.659 171 G HN 0.249 nan 8.290 nan 0.000 0.503 172 F N 1.660 121.680 119.950 0.117 0.000 2.602 172 F HA 0.382 4.910 4.527 0.002 0.000 0.367 172 F C 1.616 177.570 175.800 0.256 0.000 1.126 172 F CA 0.967 59.081 58.000 0.191 0.000 1.321 172 F CB 0.629 39.764 39.000 0.225 0.000 1.094 172 F HN 0.167 nan 8.300 nan 0.000 0.594 173 E N 2.090 122.572 120.200 0.470 0.000 2.548 173 E HA 0.029 4.381 4.350 0.002 0.000 0.206 173 E C -0.794 176.178 176.600 0.620 0.000 1.005 173 E CA -0.016 56.617 56.400 0.389 0.000 0.951 173 E CB 0.864 30.710 29.700 0.244 0.000 1.035 173 E HN 0.499 nan 8.360 nan 0.000 0.470 174 W N 1.205 122.791 121.300 0.476 0.000 3.615 174 W HA 0.466 5.127 4.660 0.002 0.000 0.319 174 W C -2.323 174.205 176.519 0.015 0.000 1.172 174 W CA -0.814 56.706 57.345 0.291 0.000 1.240 174 W CB 0.853 30.408 29.460 0.159 0.000 1.313 174 W HN -0.140 nan 8.180 nan 0.000 0.487 175 I N 4.582 124.964 120.570 -0.314 0.000 2.689 175 I HA 0.438 4.610 4.170 0.002 0.000 0.299 175 I C -1.028 174.804 176.117 -0.476 0.000 1.059 175 I CA -0.476 60.465 61.300 -0.599 0.000 1.055 175 I CB 2.230 39.359 38.000 -1.453 0.000 1.243 175 I HN 0.489 nan 8.210 nan 0.000 0.425 176 E N 7.562 127.571 120.200 -0.317 0.000 2.241 176 E HA 0.390 4.741 4.350 0.002 0.000 0.263 176 E C -1.736 174.677 176.600 -0.312 0.000 0.882 176 E CA -0.683 55.559 56.400 -0.264 0.000 0.769 176 E CB 1.563 31.218 29.700 -0.073 0.000 1.185 176 E HN 0.574 nan 8.360 nan 0.000 0.415 177 L N 4.075 125.025 121.223 -0.456 0.000 2.319 177 L HA 0.204 4.546 4.340 0.002 0.000 0.280 177 L C 0.290 176.868 176.870 -0.488 0.000 1.099 177 L CA -0.633 53.867 54.840 -0.566 0.000 0.828 177 L CB 0.436 41.818 42.059 -1.127 0.000 1.150 177 L HN 0.515 nan 8.230 nan 0.000 0.442 178 H N 4.648 123.594 119.070 -0.206 0.000 3.014 178 H HA 0.150 4.707 4.556 0.002 0.000 0.266 178 H C -0.371 175.136 175.328 0.297 0.000 1.455 178 H CA -0.714 55.357 56.048 0.037 0.000 1.402 178 H CB 0.044 29.903 29.762 0.162 0.000 1.626 178 H HN 0.305 nan 8.280 nan 0.000 0.520 179 F N 2.219 122.417 119.950 0.413 0.000 2.819 179 F HA 0.446 4.974 4.527 0.002 0.000 0.294 179 F C 0.884 176.978 175.800 0.490 0.000 1.166 179 F CA -0.303 57.922 58.000 0.375 0.000 1.374 179 F CB -0.650 38.481 39.000 0.218 0.000 0.956 179 F HN 0.468 nan 8.300 nan 0.000 0.509 180 A N -1.850 121.354 122.820 0.640 0.000 2.470 180 A HA 0.638 4.959 4.320 0.002 0.000 0.271 180 A C 0.115 177.912 177.584 0.355 0.000 1.269 180 A CA -0.618 51.669 52.037 0.416 0.000 0.828 180 A CB 0.351 19.444 19.000 0.154 0.000 1.374 180 A HN 0.528 nan 8.150 nan 0.000 0.454 181 H N -1.162 118.143 119.070 0.392 0.000 2.776 181 H HA -0.210 4.347 4.556 0.002 0.000 0.300 181 H C 1.264 176.461 175.328 -0.218 0.000 1.161 181 H CA 1.015 57.204 56.048 0.236 0.000 1.147 181 H CB -1.483 28.423 29.762 0.241 0.000 1.366 181 H HN 2.242 nan 8.280 nan 0.000 0.397 182 G N -1.783 107.081 108.800 0.107 0.000 2.168 182 G HA2 -0.391 3.570 3.960 0.002 0.000 0.263 182 G HA3 -0.391 3.570 3.960 0.002 0.000 0.263 182 G C 0.158 175.043 174.900 -0.025 0.000 0.977 182 G CA 0.724 45.854 45.100 0.050 0.000 0.659 182 G HN 0.513 nan 8.290 nan 0.000 0.533 183 Y N -1.110 119.309 120.300 0.199 0.000 2.330 183 Y HA 0.537 5.088 4.550 0.002 0.000 0.387 183 Y C 1.915 177.947 175.900 0.220 0.000 1.365 183 Y CA -0.505 57.691 58.100 0.160 0.000 1.828 183 Y CB -0.556 37.929 38.460 0.042 0.000 1.696 183 Y HN 0.031 nan 8.280 nan 0.000 0.616 184 L N 1.041 122.542 121.223 0.462 0.000 1.978 184 L HA -0.160 4.182 4.340 0.002 0.000 0.218 184 L C 2.245 179.346 176.870 0.385 0.000 1.075 184 L CA 2.546 57.586 54.840 0.332 0.000 0.767 184 L CB -1.389 40.840 42.059 0.284 0.000 0.890 184 L HN 0.839 nan 8.230 nan 0.000 0.434 185 G N -1.812 107.303 108.800 0.525 0.000 2.491 185 G HA2 -0.401 3.561 3.960 0.002 0.000 0.218 185 G HA3 -0.401 3.561 3.960 0.002 0.000 0.218 185 G C 1.502 176.657 174.900 0.425 0.000 1.180 185 G CA 0.979 46.358 45.100 0.464 0.000 0.774 185 G HN 0.498 nan 8.290 nan 0.000 0.562 186 Q N 1.252 121.333 119.800 0.469 0.000 2.096 186 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 186 Q C 2.722 178.957 176.000 0.392 0.000 0.982 186 Q CA 2.249 58.337 55.803 0.474 0.000 0.850 186 Q CB -0.386 28.590 28.738 0.398 0.000 0.901 186 Q HN 0.558 nan 8.270 nan 0.000 0.422 187 S N -1.276 114.592 115.700 0.279 0.000 2.447 187 S HA -0.090 4.381 4.470 0.002 0.000 0.233 187 S C 1.663 176.298 174.600 0.059 0.000 1.006 187 S CA 0.707 58.992 58.200 0.142 0.000 0.957 187 S CB -0.530 62.697 63.200 0.044 0.000 0.773 187 S HN 0.389 nan 8.310 nan 0.000 0.507 188 F N 0.615 120.625 119.950 0.101 0.000 2.293 188 F HA 0.230 4.759 4.527 0.002 0.000 0.297 188 F C 1.914 177.807 175.800 0.154 0.000 1.089 188 F CA 0.533 58.572 58.000 0.064 0.000 1.377 188 F CB -0.422 38.583 39.000 0.008 0.000 1.051 188 F HN 0.264 nan 8.300 nan 0.000 0.511 189 F N -0.087 120.027 119.950 0.272 0.000 2.234 189 F HA 0.067 4.596 4.527 0.002 0.000 0.296 189 F C 1.641 177.548 175.800 0.178 0.000 1.089 189 F CA 0.469 58.600 58.000 0.217 0.000 1.343 189 F CB -0.504 38.684 39.000 0.312 0.000 1.040 189 F HN -0.268 nan 8.300 nan 0.000 0.498 190 S N 0.779 116.593 115.700 0.191 0.000 2.528 190 S HA 0.029 4.500 4.470 0.002 0.000 0.277 190 S C 1.090 175.668 174.600 -0.037 0.000 1.297 190 S CA -0.387 57.851 58.200 0.063 0.000 1.052 190 S CB 0.498 63.819 63.200 0.201 0.000 0.917 190 S HN 0.439 nan 8.310 nan 0.000 0.492 191 E N 2.981 123.091 120.200 -0.150 0.000 2.338 191 E HA -0.125 4.226 4.350 0.002 0.000 0.197 191 E C 1.126 177.654 176.600 -0.121 0.000 1.007 191 E CA 0.620 56.924 56.400 -0.159 0.000 0.849 191 E CB -0.032 29.539 29.700 -0.215 0.000 0.774 191 E HN 0.704 nan 8.360 nan 0.000 0.506 192 H N -0.076 118.978 119.070 -0.028 0.000 2.357 192 H HA -0.045 4.512 4.556 0.002 0.000 0.301 192 H C 2.372 177.685 175.328 -0.025 0.000 1.082 192 H CA 1.812 57.845 56.048 -0.024 0.000 1.342 192 H CB 0.142 29.896 29.762 -0.013 0.000 1.389 192 H HN 0.186 nan 8.280 nan 0.000 0.511 193 S N -0.422 115.346 115.700 0.113 0.000 2.502 193 S HA 0.007 4.479 4.470 0.002 0.000 0.215 193 S C 0.857 175.431 174.600 -0.044 0.000 1.009 193 S CA -0.410 57.812 58.200 0.036 0.000 0.908 193 S CB 0.350 63.581 63.200 0.052 0.000 0.801 193 S HN 0.100 nan 8.310 nan 0.000 0.505 194 N N 2.003 120.673 118.700 -0.051 0.000 2.485 194 N HA 0.306 5.047 4.740 0.002 0.000 0.243 194 N C -0.351 175.127 175.510 -0.054 0.000 0.987 194 N CA -0.197 52.800 53.050 -0.088 0.000 0.940 194 N CB 0.883 39.331 38.487 -0.065 0.000 1.122 194 N HN 0.058 nan 8.380 nan 0.000 0.509 195 K N 2.604 122.973 120.400 -0.051 0.000 2.478 195 K HA 0.217 4.539 4.320 0.002 0.000 0.205 195 K C 0.199 176.788 176.600 -0.018 0.000 1.033 195 K CA -0.259 56.010 56.287 -0.032 0.000 1.091 195 K CB 0.761 33.245 32.500 -0.027 0.000 0.844 195 K HN 0.431 nan 8.250 nan 0.000 0.507 196 R N 0.979 121.474 120.500 -0.009 0.000 2.734 196 R HA 0.032 4.374 4.340 0.002 0.000 0.266 196 R C 1.058 177.375 176.300 0.028 0.000 1.044 196 R CA 0.728 56.841 56.100 0.022 0.000 1.128 196 R CB 0.147 30.491 30.300 0.073 0.000 1.010 196 R HN 0.089 nan 8.270 nan 0.000 0.461 197 T N -3.285 111.288 114.554 0.031 0.000 3.132 197 T HA 0.049 4.400 4.350 0.002 0.000 0.274 197 T C 0.092 174.810 174.700 0.030 0.000 1.011 197 T CA -0.515 61.598 62.100 0.022 0.000 0.899 197 T CB -0.158 68.717 68.868 0.012 0.000 1.089 197 T HN 0.644 nan 8.240 nan 0.000 0.543 198 D N 1.435 121.870 120.400 0.059 0.000 2.541 198 D HA 0.547 5.188 4.640 0.002 0.000 0.276 198 D C 1.682 178.002 176.300 0.034 0.000 1.190 198 D CA -0.445 53.594 54.000 0.064 0.000 1.095 198 D CB 0.128 40.998 40.800 0.117 0.000 1.173 198 D HN 0.019 nan 8.370 nan 0.000 0.604 199 A N -1.572 121.245 122.820 -0.005 0.000 2.172 199 A HA -0.088 4.233 4.320 0.002 0.000 0.216 199 A C 0.964 178.320 177.584 -0.380 0.000 1.154 199 A CA 0.823 52.737 52.037 -0.205 0.000 0.701 199 A CB -0.987 17.828 19.000 -0.308 0.000 0.789 199 A HN 0.510 nan 8.150 nan 0.000 0.465 200 Y N -0.822 119.511 120.300 0.055 0.000 2.607 200 Y HA 0.448 4.999 4.550 0.002 0.000 0.266 200 Y C 1.130 177.113 175.900 0.139 0.000 1.178 200 Y CA 0.067 58.230 58.100 0.105 0.000 1.226 200 Y CB 0.467 39.031 38.460 0.173 0.000 1.144 200 Y HN 0.293 nan 8.280 nan 0.000 0.528 201 G N -2.055 106.825 108.800 0.133 0.000 2.677 201 G HA2 0.507 4.469 3.960 0.002 0.000 0.291 201 G HA3 0.507 4.469 3.960 0.002 0.000 0.291 201 G C 0.137 175.047 174.900 0.017 0.000 1.435 201 G CA -0.135 45.014 45.100 0.083 0.000 0.826 201 G HN 0.348 nan 8.290 nan 0.000 0.491 202 G N 0.009 108.805 108.800 -0.007 0.000 4.045 202 G HA2 0.039 4.000 3.960 0.002 0.000 0.261 202 G HA3 0.039 4.000 3.960 0.002 0.000 0.261 202 G C 1.139 176.023 174.900 -0.028 0.000 1.772 202 G CA 0.774 45.862 45.100 -0.020 0.000 1.264 202 G HN 2.361 nan 8.290 nan 0.000 0.609 203 S N 0.821 116.510 115.700 -0.019 0.000 2.608 203 S HA 0.528 4.999 4.470 0.002 0.000 0.261 203 S C 1.142 175.751 174.600 0.014 0.000 1.314 203 S CA 0.711 58.915 58.200 0.007 0.000 0.992 203 S CB 1.113 64.320 63.200 0.011 0.000 0.935 203 S HN 1.560 nan 8.310 nan 0.000 0.564 204 F N 1.302 121.206 119.950 -0.076 0.000 2.134 204 F HA -0.086 4.443 4.527 0.002 0.000 0.299 204 F C 1.733 177.521 175.800 -0.020 0.000 1.097 204 F CA 2.065 60.022 58.000 -0.071 0.000 1.264 204 F CB -0.700 38.278 39.000 -0.037 0.000 1.001 204 F HN 0.600 nan 8.300 nan 0.000 0.479 205 D N 0.293 120.602 120.400 -0.152 0.000 2.117 205 D HA -0.176 4.465 4.640 0.002 0.000 0.197 205 D C 1.870 178.026 176.300 -0.239 0.000 0.987 205 D CA 1.329 55.178 54.000 -0.252 0.000 0.829 205 D CB -0.496 40.254 40.800 -0.084 0.000 0.961 205 D HN 0.318 nan 8.370 nan 0.000 0.460 206 N N 0.475 119.080 118.700 -0.158 0.000 2.171 206 N HA -0.035 4.707 4.740 0.002 0.000 0.184 206 N C 1.751 177.218 175.510 -0.072 0.000 1.021 206 N CA 0.540 53.504 53.050 -0.143 0.000 0.854 206 N CB -0.124 38.308 38.487 -0.091 0.000 0.994 206 N HN 0.169 nan 8.380 nan 0.000 0.426 207 R N -0.044 120.415 120.500 -0.069 0.000 2.148 207 R HA 0.140 4.482 4.340 0.002 0.000 0.223 207 R C 1.623 177.982 176.300 0.098 0.000 1.088 207 R CA 0.850 56.963 56.100 0.020 0.000 0.985 207 R CB 0.011 30.232 30.300 -0.132 0.000 0.880 207 R HN 0.124 nan 8.270 nan 0.000 0.451 208 S N 0.251 115.899 115.700 -0.087 0.000 2.470 208 S HA 0.007 4.478 4.470 0.002 0.000 0.225 208 S C 1.613 176.130 174.600 -0.139 0.000 1.006 208 S CA 0.199 58.327 58.200 -0.120 0.000 0.934 208 S CB 0.051 62.957 63.200 -0.490 0.000 0.778 208 S HN 0.280 nan 8.310 nan 0.000 0.517 209 R N 0.731 121.157 120.500 -0.124 0.000 2.112 209 R HA -0.190 4.151 4.340 0.002 0.000 0.242 209 R C 2.041 178.329 176.300 -0.020 0.000 1.137 209 R CA 1.899 57.928 56.100 -0.119 0.000 0.944 209 R CB -0.487 29.648 30.300 -0.274 0.000 0.857 209 R HN 0.442 nan 8.270 nan 0.000 0.435 210 F N 1.032 120.926 119.950 -0.094 0.000 2.095 210 F HA -0.219 4.309 4.527 0.002 0.000 0.298 210 F C 1.691 177.246 175.800 -0.408 0.000 1.104 210 F CA 1.529 59.321 58.000 -0.346 0.000 1.232 210 F CB -0.306 38.095 39.000 -0.998 0.000 0.987 210 F HN -0.006 nan 8.300 nan 0.000 0.475 211 L N 0.059 120.996 121.223 -0.477 0.000 2.027 211 L HA -0.200 4.142 4.340 0.002 0.000 0.206 211 L C 2.441 179.096 176.870 -0.359 0.000 1.074 211 L CA 1.484 55.865 54.840 -0.765 0.000 0.745 211 L CB -1.134 40.543 42.059 -0.635 0.000 0.898 211 L HN 0.168 nan 8.230 nan 0.000 0.433 212 L N -0.926 120.189 121.223 -0.180 0.000 2.056 212 L HA -0.183 4.158 4.340 0.002 0.000 0.207 212 L C 2.557 179.354 176.870 -0.121 0.000 1.078 212 L CA 1.221 56.021 54.840 -0.066 0.000 0.749 212 L CB -0.546 41.455 42.059 -0.097 0.000 0.901 212 L HN 0.338 nan 8.230 nan 0.000 0.433 213 E N -0.558 119.532 120.200 -0.183 0.000 2.106 213 E HA -0.165 4.187 4.350 0.002 0.000 0.192 213 E C 2.104 178.569 176.600 -0.224 0.000 0.984 213 E CA 1.626 57.929 56.400 -0.160 0.000 0.806 213 E CB -0.100 29.536 29.700 -0.107 0.000 0.750 213 E HN 0.442 nan 8.360 nan 0.000 0.458 214 T N 1.734 116.041 114.554 -0.411 0.000 2.777 214 T HA -0.132 4.219 4.350 0.002 0.000 0.266 214 T C 1.861 176.433 174.700 -0.213 0.000 1.040 214 T CA 0.768 62.611 62.100 -0.429 0.000 1.141 214 T CB -0.205 68.169 68.868 -0.822 0.000 0.868 214 T HN 0.042 nan 8.240 nan 0.000 0.444 215 L N 1.548 122.686 121.223 -0.142 0.000 2.017 215 L HA 0.052 4.394 4.340 0.002 0.000 0.208 215 L C 2.585 179.408 176.870 -0.078 0.000 1.073 215 L CA 1.984 56.762 54.840 -0.104 0.000 0.745 215 L CB -1.013 41.005 42.059 -0.067 0.000 0.894 215 L HN 0.212 nan 8.230 nan 0.000 0.432 216 A N -0.502 122.281 122.820 -0.062 0.000 1.902 216 A HA -0.084 4.237 4.320 0.002 0.000 0.217 216 A C 2.446 180.014 177.584 -0.027 0.000 1.181 216 A CA 1.795 53.810 52.037 -0.036 0.000 0.623 216 A CB -1.172 17.808 19.000 -0.035 0.000 0.818 216 A HN 0.596 nan 8.150 nan 0.000 0.443 217 A N -0.674 122.121 122.820 -0.042 0.000 1.898 217 A HA 0.019 4.341 4.320 0.002 0.000 0.216 217 A C 2.214 179.806 177.584 0.012 0.000 1.181 217 A CA 1.728 53.756 52.037 -0.015 0.000 0.620 217 A CB -0.845 18.138 19.000 -0.027 0.000 0.819 217 A HN 0.373 nan 8.150 nan 0.000 0.442 218 V N -0.065 119.848 119.914 -0.001 0.000 2.427 218 V HA -0.212 3.909 4.120 0.002 0.000 0.248 218 V C 2.592 178.729 176.094 0.072 0.000 1.051 218 V CA 2.078 64.395 62.300 0.029 0.000 1.048 218 V CB -0.766 31.033 31.823 -0.040 0.000 0.666 218 V HN 0.636 nan 8.190 nan 0.000 0.456 219 R N 0.105 120.628 120.500 0.039 0.000 2.159 219 R HA -0.195 4.146 4.340 0.002 0.000 0.237 219 R C 2.151 178.500 176.300 0.083 0.000 1.131 219 R CA 1.647 57.792 56.100 0.075 0.000 0.982 219 R CB -0.118 30.199 30.300 0.028 0.000 0.868 219 R HN 0.643 nan 8.270 nan 0.000 0.453 220 E N -0.310 119.924 120.200 0.058 0.000 2.204 220 E HA -0.132 4.219 4.350 0.002 0.000 0.194 220 E C 1.768 178.402 176.600 0.057 0.000 0.989 220 E CA 1.487 57.915 56.400 0.046 0.000 0.824 220 E CB 0.249 29.968 29.700 0.032 0.000 0.756 220 E HN 0.381 nan 8.360 nan 0.000 0.477 221 V N -2.890 117.081 119.914 0.094 0.000 3.523 221 V HA 0.146 4.268 4.120 0.002 0.000 0.255 221 V C 0.715 176.891 176.094 0.137 0.000 1.226 221 V CA -0.543 61.816 62.300 0.098 0.000 1.092 221 V CB -0.201 31.688 31.823 0.110 0.000 0.817 221 V HN 0.202 nan 8.190 nan 0.000 0.458 222 W N 3.194 124.481 121.300 -0.021 0.000 2.311 222 W HA 0.436 5.097 4.660 0.002 0.000 0.310 222 W C -2.714 173.786 176.519 -0.031 0.000 1.274 222 W CA -2.351 54.977 57.345 -0.029 0.000 1.215 222 W CB 1.208 30.637 29.460 -0.052 0.000 1.227 222 W HN 0.157 nan 8.180 nan 0.000 0.523 223 P HA -0.124 nan 4.420 nan 0.000 0.262 223 P C 0.361 177.470 177.300 -0.318 0.000 1.182 223 P CA 0.749 63.565 63.100 -0.472 0.000 0.761 223 P CB 0.666 32.018 31.700 -0.581 0.000 0.795 224 E N 2.564 122.678 120.200 -0.142 0.000 2.338 224 E HA -0.143 4.209 4.350 0.002 0.000 0.197 224 E C 1.278 177.840 176.600 -0.065 0.000 1.007 224 E CA 0.884 57.248 56.400 -0.059 0.000 0.849 224 E CB -0.411 29.267 29.700 -0.038 0.000 0.774 224 E HN 0.428 nan 8.360 nan 0.000 0.506 225 N N 0.074 118.710 118.700 -0.107 0.000 2.322 225 N HA -0.027 4.714 4.740 0.002 0.000 0.194 225 N C -0.239 175.228 175.510 -0.072 0.000 1.126 225 N CA 0.112 53.114 53.050 -0.079 0.000 0.845 225 N CB 0.184 38.623 38.487 -0.078 0.000 0.976 225 N HN 0.097 nan 8.380 nan 0.000 0.475 226 L N 0.818 121.984 121.223 -0.095 0.000 2.341 226 L HA 0.498 4.839 4.340 0.002 0.000 0.278 226 L C -2.519 174.479 176.870 0.212 0.000 1.005 226 L CA -2.314 52.535 54.840 0.015 0.000 0.818 226 L CB 2.178 44.129 42.059 -0.181 0.000 1.259 226 L HN -0.290 nan 8.230 nan 0.000 0.418 227 P HA -0.067 nan 4.420 nan 0.000 0.260 227 P C -0.880 176.274 177.300 -0.243 0.000 1.172 227 P CA 0.057 63.018 63.100 -0.232 0.000 0.760 227 P CB 0.355 31.619 31.700 -0.726 0.000 0.773 228 L N 5.668 126.733 121.223 -0.263 0.000 2.294 228 L HA 0.562 4.903 4.340 0.002 0.000 0.283 228 L C 0.091 176.685 176.870 -0.459 0.000 1.015 228 L CA 0.163 54.765 54.840 -0.396 0.000 0.831 228 L CB 0.601 42.555 42.059 -0.175 0.000 1.217 228 L HN 0.423 nan 8.230 nan 0.000 0.420 229 T N 2.032 116.251 114.554 -0.557 0.000 2.858 229 T HA 1.014 5.366 4.350 0.002 0.000 0.285 229 T C -0.587 173.862 174.700 -0.417 0.000 1.052 229 T CA -0.270 61.572 62.100 -0.429 0.000 1.009 229 T CB 1.819 70.462 68.868 -0.374 0.000 1.241 229 T HN 1.009 nan 8.240 nan 0.000 0.542 230 A N 0.446 123.068 122.820 -0.331 0.000 2.612 230 A HA 0.803 5.125 4.320 0.002 0.000 0.293 230 A C -1.009 176.481 177.584 -0.157 0.000 1.075 230 A CA -0.968 50.836 52.037 -0.388 0.000 0.680 230 A CB 1.652 20.258 19.000 -0.658 0.000 1.279 230 A HN 0.869 nan 8.150 nan 0.000 0.411 231 R N 0.549 120.993 120.500 -0.092 0.000 2.514 231 R HA 0.707 5.048 4.340 0.002 0.000 0.301 231 R C -2.133 174.338 176.300 0.285 0.000 0.962 231 R CA -0.392 55.744 56.100 0.060 0.000 0.882 231 R CB 1.400 31.667 30.300 -0.054 0.000 1.143 231 R HN 0.736 nan 8.270 nan 0.000 0.452 232 F N 0.992 121.017 119.950 0.125 0.000 2.596 232 F HA 0.427 4.955 4.527 0.002 0.000 0.311 232 F C -0.680 175.221 175.800 0.168 0.000 1.116 232 F CA -0.814 57.309 58.000 0.204 0.000 0.957 232 F CB 1.965 41.122 39.000 0.262 0.000 1.250 232 F HN 0.572 nan 8.300 nan 0.000 0.444 233 G N 3.926 112.546 108.800 -0.300 0.000 2.365 233 G HA2 0.453 4.414 3.960 0.002 0.000 0.293 233 G HA3 0.453 4.414 3.960 0.002 0.000 0.293 233 G C 0.549 174.975 174.900 -0.790 0.000 1.128 233 G CA -0.034 44.868 45.100 -0.330 0.000 0.971 233 G HN 1.138 nan 8.290 nan 0.000 0.422 234 V N 1.305 120.911 119.914 -0.514 0.000 3.541 234 V HA 0.438 4.559 4.120 0.002 0.000 0.267 234 V C 0.695 176.635 176.094 -0.257 0.000 1.213 234 V CA 0.795 62.840 62.300 -0.424 0.000 1.149 234 V CB -1.514 30.197 31.823 -0.186 0.000 0.822 234 V HN 0.722 nan 8.190 nan 0.000 0.462 235 L N -4.043 117.015 121.223 -0.275 0.000 2.622 235 L HA 0.696 5.037 4.340 0.002 0.000 0.258 235 L C 0.074 176.760 176.870 -0.307 0.000 0.996 235 L CA -0.587 54.078 54.840 -0.292 0.000 0.858 235 L CB 1.899 43.695 42.059 -0.438 0.000 1.449 235 L HN -0.180 nan 8.230 nan 0.000 0.411 236 E N 0.686 120.735 120.200 -0.252 0.000 2.465 236 E HA 0.100 4.452 4.350 0.002 0.000 0.209 236 E C -0.812 175.736 176.600 -0.088 0.000 0.951 236 E CA 0.085 56.393 56.400 -0.153 0.000 0.997 236 E CB 0.421 30.111 29.700 -0.017 0.000 1.025 236 E HN 0.681 nan 8.360 nan 0.000 0.500 237 Y N 1.805 122.034 120.300 -0.118 0.000 3.305 237 Y HA -0.189 4.362 4.550 0.002 0.000 0.209 237 Y C 0.260 176.105 175.900 -0.093 0.000 1.354 237 Y CA 0.665 58.690 58.100 -0.125 0.000 1.392 237 Y CB -2.084 36.252 38.460 -0.206 0.000 1.446 237 Y HN 0.167 nan 8.280 nan 0.000 0.553 238 D N -1.492 118.928 120.400 0.033 0.000 2.501 238 D HA 0.420 5.061 4.640 0.002 0.000 0.224 238 D C 1.620 177.944 176.300 0.041 0.000 1.202 238 D CA 0.399 54.421 54.000 0.036 0.000 0.829 238 D CB 0.198 41.041 40.800 0.071 0.000 1.023 238 D HN 0.590 nan 8.370 nan 0.000 0.499 239 G N 1.224 110.040 108.800 0.027 0.000 2.179 239 G HA2 -0.338 3.623 3.960 0.002 0.000 0.260 239 G HA3 -0.338 3.623 3.960 0.002 0.000 0.260 239 G C 0.739 175.641 174.900 0.003 0.000 0.977 239 G CA 0.012 45.121 45.100 0.016 0.000 0.641 239 G HN 0.451 nan 8.290 nan 0.000 0.533 240 R N 0.007 120.505 120.500 -0.003 0.000 2.690 240 R HA 0.241 4.582 4.340 0.002 0.000 0.419 240 R C 0.610 176.882 176.300 -0.048 0.000 1.090 240 R CA -0.159 55.928 56.100 -0.022 0.000 1.064 240 R CB 0.317 30.605 30.300 -0.019 0.000 1.391 240 R HN 0.155 nan 8.270 nan 0.000 0.586 241 D N 1.438 121.796 120.400 -0.070 0.000 2.117 241 D HA -0.198 4.444 4.640 0.002 0.000 0.197 241 D C 1.665 177.911 176.300 -0.090 0.000 0.987 241 D CA 1.386 55.313 54.000 -0.123 0.000 0.829 241 D CB 0.358 41.053 40.800 -0.174 0.000 0.961 241 D HN 0.197 nan 8.370 nan 0.000 0.460 242 E N 0.916 121.080 120.200 -0.060 0.000 2.051 242 E HA -0.184 4.167 4.350 0.002 0.000 0.192 242 E C 1.999 178.573 176.600 -0.044 0.000 0.991 242 E CA 1.329 57.700 56.400 -0.047 0.000 0.799 242 E CB -0.087 29.592 29.700 -0.035 0.000 0.748 242 E HN 0.174 nan 8.360 nan 0.000 0.449 243 Q N -0.667 119.107 119.800 -0.044 0.000 2.079 243 Q HA -0.055 4.286 4.340 0.002 0.000 0.200 243 Q C 2.274 178.257 176.000 -0.028 0.000 0.974 243 Q CA 2.150 57.926 55.803 -0.044 0.000 0.840 243 Q CB -0.566 28.142 28.738 -0.050 0.000 0.898 243 Q HN 0.237 nan 8.270 nan 0.000 0.430 244 T N 1.110 115.651 114.554 -0.022 0.000 2.708 244 T HA -0.113 4.238 4.350 0.002 0.000 0.266 244 T C 1.648 176.377 174.700 0.050 0.000 1.037 244 T CA 1.032 63.146 62.100 0.023 0.000 1.146 244 T CB -0.326 68.538 68.868 -0.005 0.000 0.865 244 T HN 0.111 nan 8.240 nan 0.000 0.435 245 L N 1.457 122.671 121.223 -0.016 0.000 2.083 245 L HA -0.014 4.328 4.340 0.002 0.000 0.209 245 L C 2.433 179.313 176.870 0.017 0.000 1.083 245 L CA 1.866 56.696 54.840 -0.016 0.000 0.752 245 L CB -0.685 41.341 42.059 -0.055 0.000 0.899 245 L HN 0.307 nan 8.230 nan 0.000 0.433 246 E N -0.638 119.560 120.200 -0.004 0.000 2.077 246 E HA -0.249 4.102 4.350 0.002 0.000 0.193 246 E C 1.990 178.577 176.600 -0.023 0.000 0.989 246 E CA 1.572 57.957 56.400 -0.025 0.000 0.800 246 E CB -0.128 29.539 29.700 -0.055 0.000 0.746 246 E HN 0.639 nan 8.360 nan 0.000 0.452 247 E N -0.070 120.144 120.200 0.022 0.000 2.072 247 E HA -0.118 4.234 4.350 0.002 0.000 0.191 247 E C 2.268 179.093 176.600 0.375 0.000 0.985 247 E CA 1.127 57.581 56.400 0.091 0.000 0.801 247 E CB 0.042 29.875 29.700 0.221 0.000 0.750 247 E HN 0.177 nan 8.360 nan 0.000 0.452 248 S N 1.006 116.926 115.700 0.366 0.000 2.382 248 S HA -0.121 4.350 4.470 0.002 0.000 0.228 248 S C 2.035 176.767 174.600 0.220 0.000 1.027 248 S CA 0.787 59.196 58.200 0.349 0.000 0.991 248 S CB -0.144 63.175 63.200 0.199 0.000 0.823 248 S HN 0.214 nan 8.310 nan 0.000 0.469 249 I N 1.114 121.759 120.570 0.125 0.000 2.315 249 I HA -0.146 4.025 4.170 0.002 0.000 0.248 249 I C 2.663 178.806 176.117 0.043 0.000 1.117 249 I CA 1.120 62.465 61.300 0.074 0.000 1.404 249 I CB -0.246 37.776 38.000 0.037 0.000 1.071 249 I HN 0.228 nan 8.210 nan 0.000 0.419 250 E N 1.235 121.456 120.200 0.034 0.000 2.106 250 E HA -0.230 4.121 4.350 0.002 0.000 0.192 250 E C 1.977 178.634 176.600 0.095 0.000 0.984 250 E CA 1.149 57.564 56.400 0.025 0.000 0.806 250 E CB -0.223 29.390 29.700 -0.145 0.000 0.750 250 E HN 0.284 nan 8.360 nan 0.000 0.458 251 L N 0.091 121.375 121.223 0.103 0.000 2.093 251 L HA 0.042 4.383 4.340 0.002 0.000 0.208 251 L C 2.098 178.590 176.870 -0.630 0.000 1.085 251 L CA 2.008 56.658 54.840 -0.317 0.000 0.755 251 L CB -0.908 40.751 42.059 -0.668 0.000 0.904 251 L HN 0.169 nan 8.230 nan 0.000 0.435 252 A N -0.432 122.227 122.820 -0.267 0.000 1.933 252 A HA -0.215 4.107 4.320 0.002 0.000 0.218 252 A C 2.407 179.995 177.584 0.006 0.000 1.175 252 A CA 1.717 53.732 52.037 -0.037 0.000 0.628 252 A CB -0.500 18.574 19.000 0.123 0.000 0.814 252 A HN 0.503 nan 8.150 nan 0.000 0.444 253 R N -0.710 119.779 120.500 -0.018 0.000 2.092 253 R HA -0.058 4.283 4.340 0.002 0.000 0.231 253 R C 2.399 178.699 176.300 0.000 0.000 1.119 253 R CA 1.458 57.565 56.100 0.011 0.000 0.970 253 R CB -0.258 30.049 30.300 0.012 0.000 0.864 253 R HN 0.500 nan 8.270 nan 0.000 0.440 254 R N -0.422 120.038 120.500 -0.067 0.000 2.092 254 R HA -0.064 4.277 4.340 0.002 0.000 0.231 254 R C 1.947 178.258 176.300 0.019 0.000 1.119 254 R CA 1.062 57.123 56.100 -0.064 0.000 0.970 254 R CB -0.224 29.990 30.300 -0.143 0.000 0.864 254 R HN 0.124 nan 8.270 nan 0.000 0.440 255 F N 1.634 121.552 119.950 -0.052 0.000 2.102 255 F HA -0.153 4.375 4.527 0.002 0.000 0.298 255 F C 2.436 178.210 175.800 -0.044 0.000 1.105 255 F CA 0.998 58.959 58.000 -0.066 0.000 1.239 255 F CB -0.733 38.220 39.000 -0.079 0.000 0.991 255 F HN -0.060 nan 8.300 nan 0.000 0.474 256 K N 0.371 120.878 120.400 0.178 0.000 2.032 256 K HA -0.163 4.158 4.320 0.002 0.000 0.209 256 K C 2.197 178.833 176.600 0.060 0.000 1.048 256 K CA 1.402 57.744 56.287 0.092 0.000 0.927 256 K CB -0.326 32.218 32.500 0.073 0.000 0.712 256 K HN 0.166 nan 8.250 nan 0.000 0.441 257 A N 0.462 123.314 122.820 0.053 0.000 2.019 257 A HA -0.042 4.279 4.320 0.002 0.000 0.219 257 A C 2.028 179.632 177.584 0.032 0.000 1.164 257 A CA 1.614 53.671 52.037 0.034 0.000 0.644 257 A CB -0.630 18.384 19.000 0.024 0.000 0.805 257 A HN 0.529 nan 8.150 nan 0.000 0.449 258 G N -2.084 106.747 108.800 0.051 0.000 3.181 258 G HA2 0.390 4.352 3.960 0.002 0.000 0.219 258 G HA3 0.390 4.352 3.960 0.002 0.000 0.219 258 G C 1.024 175.938 174.900 0.023 0.000 1.182 258 G CA 0.438 45.563 45.100 0.041 0.000 0.791 258 G HN 1.579 nan 8.290 nan 0.000 0.537 259 G N -0.827 107.984 108.800 0.018 0.000 2.159 259 G HA2 -0.224 3.737 3.960 0.002 0.000 0.227 259 G HA3 -0.224 3.737 3.960 0.002 0.000 0.227 259 G C 0.242 175.124 174.900 -0.030 0.000 0.986 259 G CA 0.050 45.149 45.100 -0.002 0.000 0.651 259 G HN 0.563 nan 8.290 nan 0.000 0.523 260 L N 1.577 122.782 121.223 -0.031 0.000 2.410 260 L HA 0.459 4.800 4.340 0.002 0.000 0.273 260 L C 1.074 177.905 176.870 -0.066 0.000 1.144 260 L CA 0.354 55.140 54.840 -0.090 0.000 0.863 260 L CB 0.638 42.642 42.059 -0.091 0.000 1.140 260 L HN 0.155 nan 8.230 nan 0.000 0.463 261 D N 4.331 124.660 120.400 -0.118 0.000 2.305 261 D HA 0.116 4.757 4.640 0.002 0.000 0.206 261 D C 0.023 176.288 176.300 -0.059 0.000 0.974 261 D CA 0.721 54.664 54.000 -0.095 0.000 0.871 261 D CB 0.643 41.350 40.800 -0.155 0.000 0.947 261 D HN 0.375 nan 8.370 nan 0.000 0.516 262 L N 0.145 121.315 121.223 -0.088 0.000 2.612 262 L HA 0.360 4.701 4.340 0.002 0.000 0.256 262 L C -2.260 174.604 176.870 -0.011 0.000 0.949 262 L CA -0.849 53.990 54.840 -0.001 0.000 0.867 262 L CB 2.310 44.406 42.059 0.061 0.000 1.417 262 L HN -0.244 nan 8.230 nan 0.000 0.414 263 L N 2.770 124.024 121.223 0.053 0.000 2.333 263 L HA 0.594 4.935 4.340 0.002 0.000 0.280 263 L C -0.549 176.378 176.870 0.096 0.000 1.004 263 L CA 0.223 55.106 54.840 0.071 0.000 0.820 263 L CB 1.960 44.102 42.059 0.138 0.000 1.247 263 L HN 0.593 nan 8.230 nan 0.000 0.416 264 S N 4.303 120.059 115.700 0.093 0.000 2.416 264 S HA 0.484 4.955 4.470 0.002 0.000 0.287 264 S C -0.460 174.215 174.600 0.125 0.000 1.139 264 S CA -0.586 57.674 58.200 0.101 0.000 1.058 264 S CB 0.139 63.390 63.200 0.086 0.000 0.967 264 S HN 0.457 nan 8.310 nan 0.000 0.495 265 V N 5.293 125.275 119.914 0.114 0.000 2.432 265 V HA 0.515 4.636 4.120 0.002 0.000 0.271 265 V C 0.595 176.754 176.094 0.108 0.000 1.046 265 V CA -0.081 62.282 62.300 0.105 0.000 0.945 265 V CB 0.952 32.818 31.823 0.072 0.000 0.992 265 V HN 0.869 nan 8.190 nan 0.000 0.471 266 S N 3.676 119.440 115.700 0.105 0.000 2.903 266 S HA 0.767 5.238 4.470 0.002 0.000 0.314 266 S C -0.805 173.835 174.600 0.068 0.000 1.177 266 S CA -0.468 57.839 58.200 0.177 0.000 0.859 266 S CB 2.001 65.438 63.200 0.395 0.000 1.265 266 S HN 0.361 nan 8.310 nan 0.000 0.584 267 V N 1.695 121.675 119.914 0.110 0.000 2.713 267 V HA 0.478 4.600 4.120 0.002 0.000 0.307 267 V C 1.682 177.705 176.094 -0.120 0.000 1.052 267 V CA 0.231 62.425 62.300 -0.175 0.000 0.967 267 V CB 1.195 32.710 31.823 -0.513 0.000 1.019 267 V HN 1.093 nan 8.190 nan 0.000 0.459 268 G N 1.513 110.199 108.800 -0.190 0.000 2.404 268 G HA2 -0.129 3.832 3.960 0.002 0.000 0.215 268 G HA3 -0.129 3.832 3.960 0.002 0.000 0.215 268 G C 0.587 175.600 174.900 0.189 0.000 1.174 268 G CA 0.486 45.594 45.100 0.014 0.000 0.780 268 G HN 0.708 nan 8.290 nan 0.000 0.537 269 F N 0.179 120.231 119.950 0.170 0.000 3.100 269 F HA -0.224 4.304 4.527 0.002 0.000 0.283 269 F C 1.865 177.803 175.800 0.230 0.000 0.900 269 F CA 0.801 58.914 58.000 0.188 0.000 1.010 269 F CB -2.401 36.682 39.000 0.140 0.000 1.029 269 F HN 0.139 nan 8.300 nan 0.000 0.637 270 T N -0.213 114.521 114.554 0.300 0.000 2.857 270 T HA 0.125 4.477 4.350 0.002 0.000 0.266 270 T C 1.002 175.871 174.700 0.281 0.000 1.048 270 T CA 1.524 63.793 62.100 0.281 0.000 1.139 270 T CB 0.022 69.018 68.868 0.213 0.000 0.874 270 T HN 0.538 nan 8.240 nan 0.000 0.455 271 I N -1.941 118.669 120.570 0.067 0.000 2.934 271 I HA 0.475 4.647 4.170 0.002 0.000 0.306 271 I C -2.320 173.600 176.117 -0.328 0.000 1.110 271 I CA -2.726 58.363 61.300 -0.351 0.000 1.019 271 I CB 2.267 39.987 38.000 -0.467 0.000 1.227 271 I HN -0.326 nan 8.210 nan 0.000 0.434 272 P HA -0.055 nan 4.420 nan 0.000 0.226 272 P C 0.185 177.429 177.300 -0.093 0.000 1.161 272 P CA 0.832 63.795 63.100 -0.229 0.000 0.804 272 P CB 0.078 31.581 31.700 -0.328 0.000 0.829 273 D N 1.744 122.045 120.400 -0.166 0.000 2.551 273 D HA 0.126 4.768 4.640 0.002 0.000 0.223 273 D C -0.052 176.206 176.300 -0.070 0.000 1.144 273 D CA 0.174 54.115 54.000 -0.098 0.000 1.025 273 D CB -0.528 40.204 40.800 -0.113 0.000 1.085 273 D HN 0.162 nan 8.370 nan 0.000 0.506 274 T N -0.404 114.138 114.554 -0.021 0.000 2.838 274 T HA 0.490 4.842 4.350 0.002 0.000 0.292 274 T C -0.490 174.204 174.700 -0.011 0.000 1.113 274 T CA -1.162 60.934 62.100 -0.008 0.000 1.008 274 T CB 1.502 70.374 68.868 0.007 0.000 1.259 274 T HN 0.039 nan 8.240 nan 0.000 0.520 275 N N 0.422 119.097 118.700 -0.042 0.000 2.727 275 N HA 0.354 5.096 4.740 0.002 0.000 0.252 275 N C -1.312 174.004 175.510 -0.323 0.000 1.283 275 N CA -0.616 52.365 53.050 -0.116 0.000 0.782 275 N CB -0.039 38.402 38.487 -0.077 0.000 1.199 275 N HN 0.717 nan 8.380 nan 0.000 0.520 276 I N 2.749 123.001 120.570 -0.530 0.000 2.396 276 I HA 0.266 4.438 4.170 0.002 0.000 0.289 276 I C -1.522 173.785 176.117 -1.350 0.000 1.056 276 I CA -1.594 58.984 61.300 -1.202 0.000 1.365 276 I CB 1.108 38.230 38.000 -1.464 0.000 1.407 276 I HN 0.296 nan 8.210 nan 0.000 0.509 277 P HA 0.016 nan 4.420 nan 0.000 0.237 277 P C -0.894 175.715 177.300 -1.152 0.000 1.788 277 P CA -0.402 62.156 63.100 -0.904 0.000 1.061 277 P CB -0.459 30.878 31.700 -0.606 0.000 1.967 278 W N 2.343 123.060 121.300 -0.971 0.000 2.293 278 W HA 0.368 5.029 4.660 0.002 0.000 0.342 278 W C 1.154 177.363 176.519 -0.517 0.000 1.274 278 W CA 0.915 57.617 57.345 -1.071 0.000 1.290 278 W CB 0.406 29.527 29.460 -0.565 0.000 1.176 278 W HN 0.411 nan 8.180 nan 0.000 0.570 279 G N 2.633 111.433 108.800 -0.000 0.000 2.387 279 G HA2 0.340 4.302 3.960 0.002 0.000 0.294 279 G HA3 0.340 4.302 3.960 0.002 0.000 0.294 279 G C -3.134 172.058 174.900 0.486 0.000 1.509 279 G CA -1.439 43.810 45.100 0.249 0.000 0.806 279 G HN 0.168 nan 8.290 nan 0.000 0.546 280 P HA 0.335 nan 4.420 nan 0.000 0.262 280 P C 0.781 178.133 177.300 0.085 0.000 1.199 280 P CA 1.397 64.602 63.100 0.175 0.000 0.763 280 P CB 1.142 32.883 31.700 0.067 0.000 0.790 281 A N 3.791 126.546 122.820 -0.108 0.000 2.832 281 A HA -0.259 4.063 4.320 0.002 0.000 0.280 281 A C 0.906 178.517 177.584 0.046 0.000 1.464 281 A CA 1.086 52.884 52.037 -0.398 0.000 0.804 281 A CB -3.016 15.656 19.000 -0.547 0.000 1.020 281 A HN 0.666 nan 8.150 nan 0.000 0.563 282 F N -2.453 117.541 119.950 0.073 0.000 2.333 282 F HA -0.036 4.492 4.527 0.002 0.000 0.300 282 F C 1.711 177.562 175.800 0.084 0.000 1.083 282 F CA 1.443 59.472 58.000 0.049 0.000 1.395 282 F CB -0.325 38.655 39.000 -0.033 0.000 1.056 282 F HN 0.272 nan 8.300 nan 0.000 0.529 283 M N 1.505 120.759 119.600 -0.577 0.000 2.562 283 M HA 0.127 4.608 4.480 0.002 0.000 0.257 283 M C 2.383 178.662 176.300 -0.035 0.000 1.099 283 M CA 0.830 55.883 55.300 -0.413 0.000 1.099 283 M CB -1.862 30.522 32.600 -0.360 0.000 1.427 283 M HN 0.425 nan 8.290 nan 0.000 0.489 284 G N 2.212 111.076 108.800 0.106 0.000 2.599 284 G HA2 -0.236 3.725 3.960 0.002 0.000 0.219 284 G HA3 -0.236 3.725 3.960 0.002 0.000 0.219 284 G C -0.946 174.011 174.900 0.096 0.000 1.193 284 G CA 0.730 45.935 45.100 0.174 0.000 0.778 284 G HN 0.323 nan 8.290 nan 0.000 0.589 285 P HA -0.035 nan 4.420 nan 0.000 0.216 285 P C 1.937 179.262 177.300 0.041 0.000 1.150 285 P CA 0.709 63.846 63.100 0.062 0.000 0.837 285 P CB 0.022 31.764 31.700 0.070 0.000 0.786 286 I N -0.507 120.078 120.570 0.025 0.000 2.202 286 I HA -0.153 4.018 4.170 0.002 0.000 0.242 286 I C 2.216 178.339 176.117 0.010 0.000 1.091 286 I CA 1.534 62.835 61.300 0.001 0.000 1.368 286 I CB -1.845 36.135 38.000 -0.033 0.000 1.058 286 I HN -0.092 nan 8.210 nan 0.000 0.410 287 A N 0.308 123.139 122.820 0.018 0.000 1.933 287 A HA -0.226 4.095 4.320 0.002 0.000 0.218 287 A C 2.329 179.934 177.584 0.035 0.000 1.175 287 A CA 1.674 53.730 52.037 0.031 0.000 0.628 287 A CB -0.577 18.445 19.000 0.037 0.000 0.814 287 A HN 0.422 nan 8.150 nan 0.000 0.444 288 E N 0.254 120.477 120.200 0.038 0.000 2.077 288 E HA -0.225 4.126 4.350 0.002 0.000 0.193 288 E C 2.221 178.841 176.600 0.034 0.000 0.989 288 E CA 1.360 57.782 56.400 0.037 0.000 0.800 288 E CB -0.288 29.438 29.700 0.043 0.000 0.746 288 E HN 0.653 nan 8.360 nan 0.000 0.452 289 R N 0.121 120.639 120.500 0.030 0.000 2.075 289 R HA -0.085 4.256 4.340 0.002 0.000 0.232 289 R C 2.418 178.736 176.300 0.029 0.000 1.126 289 R CA 1.324 57.440 56.100 0.025 0.000 0.963 289 R CB -0.073 30.237 30.300 0.017 0.000 0.858 289 R HN 0.048 nan 8.270 nan 0.000 0.435 290 V N 1.149 121.084 119.914 0.035 0.000 2.307 290 V HA -0.229 3.892 4.120 0.002 0.000 0.245 290 V C 2.580 178.707 176.094 0.054 0.000 1.045 290 V CA 2.126 64.456 62.300 0.051 0.000 1.024 290 V CB -0.678 31.186 31.823 0.067 0.000 0.651 290 V HN 0.413 nan 8.190 nan 0.000 0.449 291 R N 0.058 120.588 120.500 0.050 0.000 2.091 291 R HA -0.218 4.123 4.340 0.002 0.000 0.238 291 R C 2.528 178.854 176.300 0.044 0.000 1.136 291 R CA 2.100 58.230 56.100 0.049 0.000 0.959 291 R CB -0.265 30.059 30.300 0.041 0.000 0.856 291 R HN 0.431 nan 8.270 nan 0.000 0.437 292 R N 0.392 120.915 120.500 0.037 0.000 2.062 292 R HA -0.093 4.248 4.340 0.002 0.000 0.229 292 R C 1.745 178.063 176.300 0.030 0.000 1.128 292 R CA 1.805 57.925 56.100 0.032 0.000 0.960 292 R CB -0.020 30.297 30.300 0.028 0.000 0.855 292 R HN 0.348 nan 8.270 nan 0.000 0.432 293 E N -0.718 119.499 120.200 0.028 0.000 2.285 293 E HA -0.067 4.284 4.350 0.002 0.000 0.194 293 E C 1.189 177.805 176.600 0.027 0.000 0.997 293 E CA 0.814 57.228 56.400 0.023 0.000 0.845 293 E CB 0.315 30.026 29.700 0.018 0.000 0.782 293 E HN 0.409 nan 8.360 nan 0.000 0.491 294 A N 0.684 123.527 122.820 0.038 0.000 2.390 294 A HA 0.103 4.424 4.320 0.002 0.000 0.232 294 A C 0.321 177.933 177.584 0.046 0.000 1.233 294 A CA -0.270 51.793 52.037 0.044 0.000 0.907 294 A CB 0.130 19.167 19.000 0.061 0.000 0.967 294 A HN 0.028 nan 8.150 nan 0.000 0.512 295 K N -1.239 119.187 120.400 0.043 0.000 3.278 295 K HA -0.194 4.127 4.320 0.002 0.000 0.270 295 K C -0.869 175.762 176.600 0.052 0.000 0.955 295 K CA 0.668 56.981 56.287 0.044 0.000 0.723 295 K CB -1.575 30.947 32.500 0.036 0.000 1.382 295 K HN 0.438 nan 8.250 nan 0.000 0.461 296 L N -0.467 120.793 121.223 0.061 0.000 2.408 296 L HA 0.529 4.871 4.340 0.002 0.000 0.268 296 L C -2.613 174.302 176.870 0.076 0.000 0.986 296 L CA -2.071 52.811 54.840 0.070 0.000 0.820 296 L CB 1.802 43.910 42.059 0.081 0.000 1.303 296 L HN -0.205 nan 8.230 nan 0.000 0.411 297 P HA 0.297 nan 4.420 nan 0.000 0.269 297 P C -1.381 175.969 177.300 0.082 0.000 1.209 297 P CA -0.068 63.093 63.100 0.102 0.000 0.776 297 P CB 0.860 32.668 31.700 0.180 0.000 0.876 298 V N -1.143 118.803 119.914 0.052 0.000 3.159 298 V HA 0.906 5.027 4.120 0.002 0.000 0.308 298 V C -0.800 175.298 176.094 0.007 0.000 1.190 298 V CA -0.559 61.770 62.300 0.048 0.000 1.037 298 V CB 2.023 33.875 31.823 0.048 0.000 1.060 298 V HN 0.570 nan 8.190 nan 0.000 0.437 299 T N 0.327 114.893 114.554 0.020 0.000 2.864 299 T HA 0.810 5.161 4.350 0.002 0.000 0.299 299 T C -0.869 173.833 174.700 0.004 0.000 1.166 299 T CA 0.375 62.458 62.100 -0.028 0.000 1.007 299 T CB 1.931 70.792 68.868 -0.012 0.000 1.219 299 T HN 1.624 nan 8.240 nan 0.000 0.506 300 S N 0.010 115.692 115.700 -0.030 0.000 2.672 300 S HA 0.918 5.389 4.470 0.002 0.000 0.271 300 S C -1.575 173.109 174.600 0.140 0.000 1.171 300 S CA 0.066 58.312 58.200 0.077 0.000 0.817 300 S CB 1.227 64.490 63.200 0.105 0.000 1.150 300 S HN 1.347 nan 8.310 nan 0.000 0.478 301 A N 0.731 123.754 122.820 0.338 0.000 2.567 301 A HA 0.861 5.182 4.320 0.002 0.000 0.289 301 A C -1.658 176.306 177.584 0.634 0.000 1.177 301 A CA -0.203 52.134 52.037 0.500 0.000 0.694 301 A CB 1.056 20.264 19.000 0.347 0.000 1.292 301 A HN 1.668 nan 8.150 nan 0.000 0.425 302 W N -0.552 120.944 121.300 0.327 0.000 3.079 302 W HA 0.076 4.737 4.660 0.002 0.000 0.458 302 W C 0.615 177.144 176.519 0.017 0.000 1.814 302 W CA 0.964 58.448 57.345 0.232 0.000 0.463 302 W CB -1.070 28.629 29.460 0.398 0.000 2.861 302 W HN 2.644 nan 8.180 nan 0.000 0.426 303 G N 2.728 111.340 108.800 -0.313 0.000 2.157 303 G HA2 -0.355 3.606 3.960 0.002 0.000 0.239 303 G HA3 -0.355 3.606 3.960 0.002 0.000 0.239 303 G C 0.106 174.852 174.900 -0.257 0.000 0.982 303 G CA 0.300 45.228 45.100 -0.286 0.000 0.650 303 G HN 0.541 nan 8.290 nan 0.000 0.527 304 F N 1.576 121.525 119.950 -0.002 0.000 2.804 304 F HA 0.327 4.855 4.527 0.002 0.000 0.303 304 F C 2.363 178.154 175.800 -0.015 0.000 1.154 304 F CA 0.711 58.724 58.000 0.021 0.000 1.401 304 F CB 0.182 39.187 39.000 0.009 0.000 1.106 304 F HN 0.210 nan 8.300 nan 0.000 0.568 305 G N -0.648 108.164 108.800 0.019 0.000 2.625 305 G HA2 -0.122 3.839 3.960 0.002 0.000 0.214 305 G HA3 -0.122 3.839 3.960 0.002 0.000 0.214 305 G C 0.694 175.897 174.900 0.504 0.000 1.132 305 G CA 0.380 45.479 45.100 -0.003 0.000 0.782 305 G HN 0.185 nan 8.290 nan 0.000 0.538 306 T N 2.340 117.108 114.554 0.357 0.000 2.747 306 T HA 0.327 4.679 4.350 0.002 0.000 0.301 306 T C -1.392 173.539 174.700 0.386 0.000 0.952 306 T CA -1.048 61.262 62.100 0.350 0.000 0.983 306 T CB 1.920 70.904 68.868 0.193 0.000 0.930 306 T HN -0.071 nan 8.240 nan 0.000 0.494 307 P HA -0.215 nan 4.420 nan 0.000 0.217 307 P C 1.518 178.916 177.300 0.163 0.000 1.158 307 P CA 1.245 64.468 63.100 0.204 0.000 0.887 307 P CB 0.198 31.808 31.700 -0.151 0.000 0.792 308 Q N -1.253 118.616 119.800 0.114 0.000 2.170 308 Q HA -0.103 4.238 4.340 0.002 0.000 0.203 308 Q C 2.187 178.276 176.000 0.148 0.000 0.976 308 Q CA 1.103 56.966 55.803 0.101 0.000 0.858 308 Q CB -0.941 27.840 28.738 0.072 0.000 0.907 308 Q HN 0.269 nan 8.270 nan 0.000 0.433 309 L N -0.570 120.771 121.223 0.197 0.000 2.072 309 L HA -0.134 4.207 4.340 0.002 0.000 0.205 309 L C 2.169 179.265 176.870 0.378 0.000 1.079 309 L CA 0.957 55.944 54.840 0.245 0.000 0.752 309 L CB -0.459 41.716 42.059 0.192 0.000 0.906 309 L HN 0.291 nan 8.230 nan 0.000 0.436 310 A N -0.224 122.839 122.820 0.405 0.000 1.877 310 A HA -0.276 4.045 4.320 0.002 0.000 0.216 310 A C 2.099 179.770 177.584 0.145 0.000 1.186 310 A CA 1.945 54.163 52.037 0.302 0.000 0.620 310 A CB -0.493 18.690 19.000 0.306 0.000 0.822 310 A HN 0.413 nan 8.150 nan 0.000 0.443 311 E N 0.282 120.564 120.200 0.138 0.000 2.051 311 E HA -0.085 4.267 4.350 0.002 0.000 0.192 311 E C 2.021 178.671 176.600 0.084 0.000 0.991 311 E CA 1.719 58.171 56.400 0.086 0.000 0.799 311 E CB -0.493 29.256 29.700 0.081 0.000 0.748 311 E HN 0.462 nan 8.360 nan 0.000 0.449 312 A N 0.799 123.687 122.820 0.113 0.000 1.902 312 A HA -0.068 4.253 4.320 0.002 0.000 0.217 312 A C 2.463 180.111 177.584 0.107 0.000 1.181 312 A CA 2.201 54.301 52.037 0.106 0.000 0.623 312 A CB -1.108 17.964 19.000 0.120 0.000 0.818 312 A HN 0.401 nan 8.150 nan 0.000 0.443 313 A N -0.370 122.537 122.820 0.144 0.000 1.902 313 A HA -0.046 4.275 4.320 0.002 0.000 0.217 313 A C 2.190 179.793 177.584 0.032 0.000 1.181 313 A CA 1.548 53.656 52.037 0.118 0.000 0.623 313 A CB -0.572 18.517 19.000 0.148 0.000 0.818 313 A HN 0.478 nan 8.150 nan 0.000 0.443 314 L N -1.102 120.124 121.223 0.005 0.000 2.027 314 L HA -0.218 4.123 4.340 0.002 0.000 0.206 314 L C 2.873 179.748 176.870 0.009 0.000 1.074 314 L CA 1.485 56.313 54.840 -0.020 0.000 0.745 314 L CB -0.583 41.455 42.059 -0.036 0.000 0.898 314 L HN 0.453 nan 8.230 nan 0.000 0.433 315 Q N -0.315 119.502 119.800 0.029 0.000 2.170 315 Q HA -0.156 4.186 4.340 0.002 0.000 0.203 315 Q C 2.021 178.043 176.000 0.037 0.000 0.976 315 Q CA 1.435 57.259 55.803 0.035 0.000 0.858 315 Q CB -0.151 28.612 28.738 0.043 0.000 0.907 315 Q HN 0.545 nan 8.270 nan 0.000 0.433 316 A N 0.592 123.438 122.820 0.042 0.000 2.251 316 A HA 0.001 4.323 4.320 0.002 0.000 0.209 316 A C 0.082 177.688 177.584 0.037 0.000 1.187 316 A CA -0.148 51.915 52.037 0.044 0.000 0.823 316 A CB 0.148 19.182 19.000 0.056 0.000 0.846 316 A HN 0.362 nan 8.150 nan 0.000 0.486 317 N N -0.393 118.323 118.700 0.027 0.000 2.740 317 N HA -0.207 4.534 4.740 0.002 0.000 0.248 317 N C 0.613 176.135 175.510 0.020 0.000 1.062 317 N CA 1.277 54.338 53.050 0.019 0.000 0.704 317 N CB -1.372 37.130 38.487 0.026 0.000 0.968 317 N HN 0.801 nan 8.380 nan 0.000 0.547 318 Q N -0.631 119.182 119.800 0.021 0.000 2.302 318 Q HA 0.213 4.554 4.340 0.002 0.000 0.202 318 Q C 0.489 176.490 176.000 0.001 0.000 0.936 318 Q CA 0.815 56.636 55.803 0.029 0.000 0.886 318 Q CB 0.511 29.286 28.738 0.061 0.000 0.986 318 Q HN 0.447 nan 8.270 nan 0.000 0.487 319 L N -1.102 120.098 121.223 -0.038 0.000 2.409 319 L HA 0.328 4.670 4.340 0.002 0.000 0.255 319 L C -0.124 176.679 176.870 -0.113 0.000 1.027 319 L CA -0.705 54.084 54.840 -0.085 0.000 0.834 319 L CB 1.854 43.812 42.059 -0.167 0.000 1.426 319 L HN -0.134 nan 8.230 nan 0.000 0.411 320 D N 0.348 120.653 120.400 -0.158 0.000 2.379 320 D HA 0.303 4.945 4.640 0.002 0.000 0.218 320 D C -0.080 175.970 176.300 -0.417 0.000 1.006 320 D CA 0.856 54.689 54.000 -0.279 0.000 0.893 320 D CB 1.415 42.038 40.800 -0.294 0.000 1.019 320 D HN 0.177 nan 8.370 nan 0.000 0.503 321 L N 1.154 122.190 121.223 -0.311 0.000 2.401 321 L HA 0.399 4.741 4.340 0.002 0.000 0.266 321 L C -0.843 175.879 176.870 -0.247 0.000 0.991 321 L CA -0.893 53.779 54.840 -0.279 0.000 0.818 321 L CB 3.259 45.184 42.059 -0.223 0.000 1.321 321 L HN -0.343 nan 8.230 nan 0.000 0.413 322 V N 1.132 120.896 119.914 -0.250 0.000 2.370 322 V HA 0.338 4.459 4.120 0.002 0.000 0.283 322 V C 0.071 176.032 176.094 -0.221 0.000 1.023 322 V CA -0.418 61.677 62.300 -0.341 0.000 0.857 322 V CB 1.570 33.193 31.823 -0.332 0.000 0.985 322 V HN 0.763 nan 8.190 nan 0.000 0.443 323 S N 4.016 119.599 115.700 -0.194 0.000 2.475 323 S HA 0.545 5.016 4.470 0.002 0.000 0.281 323 S C -0.230 174.359 174.600 -0.017 0.000 1.198 323 S CA -0.450 57.709 58.200 -0.069 0.000 1.063 323 S CB 1.309 64.511 63.200 0.004 0.000 0.972 323 S HN 0.488 nan 8.310 nan 0.000 0.486 324 V N 3.769 123.650 119.914 -0.054 0.000 2.349 324 V HA 0.491 4.612 4.120 0.002 0.000 0.284 324 V C 0.973 177.069 176.094 0.004 0.000 1.014 324 V CA -0.491 61.723 62.300 -0.143 0.000 0.826 324 V CB 1.050 32.532 31.823 -0.569 0.000 1.009 324 V HN 0.980 nan 8.190 nan 0.000 0.431 325 G N 3.642 112.435 108.800 -0.012 0.000 2.680 325 G HA2 0.033 3.995 3.960 0.002 0.000 0.224 325 G HA3 0.033 3.995 3.960 0.002 0.000 0.224 325 G C 1.239 176.153 174.900 0.023 0.000 1.454 325 G CA -0.059 45.068 45.100 0.044 0.000 0.900 325 G HN 0.544 nan 8.290 nan 0.000 0.570 326 R N 0.652 121.128 120.500 -0.040 0.000 2.139 326 R HA -0.060 4.281 4.340 0.002 0.000 0.243 326 R C 2.807 179.061 176.300 -0.077 0.000 1.145 326 R CA 1.172 57.243 56.100 -0.049 0.000 0.976 326 R CB -0.349 29.885 30.300 -0.110 0.000 0.866 326 R HN 0.346 nan 8.270 nan 0.000 0.449 327 A N 0.396 123.103 122.820 -0.189 0.000 2.019 327 A HA -0.171 4.150 4.320 0.002 0.000 0.219 327 A C 1.535 179.001 177.584 -0.196 0.000 1.164 327 A CA 1.242 53.127 52.037 -0.254 0.000 0.644 327 A CB -0.482 18.174 19.000 -0.573 0.000 0.805 327 A HN 0.325 nan 8.150 nan 0.000 0.449 328 H N -0.693 118.325 119.070 -0.088 0.000 2.535 328 H HA 0.134 4.691 4.556 0.002 0.000 0.273 328 H C 1.827 177.192 175.328 0.061 0.000 0.983 328 H CA 1.030 57.094 56.048 0.027 0.000 1.238 328 H CB 0.084 29.850 29.762 0.007 0.000 1.412 328 H HN 0.446 nan 8.280 nan 0.000 0.562 329 L N -0.367 120.949 121.223 0.155 0.000 2.131 329 L HA 0.005 4.347 4.340 0.002 0.000 0.206 329 L C 2.794 179.715 176.870 0.085 0.000 1.087 329 L CA 0.791 55.721 54.840 0.150 0.000 0.767 329 L CB -0.335 41.802 42.059 0.129 0.000 0.917 329 L HN 0.141 nan 8.230 nan 0.000 0.441 330 A N -0.933 121.910 122.820 0.037 0.000 1.897 330 A HA -0.149 4.173 4.320 0.002 0.000 0.215 330 A C 0.747 178.335 177.584 0.006 0.000 1.181 330 A CA 1.385 53.424 52.037 0.003 0.000 0.620 330 A CB -0.113 18.869 19.000 -0.030 0.000 0.821 330 A HN 0.364 nan 8.150 nan 0.000 0.443 331 D N -2.117 118.306 120.400 0.038 0.000 2.386 331 D HA 0.268 4.910 4.640 0.002 0.000 0.247 331 D C -2.333 174.060 176.300 0.155 0.000 1.336 331 D CA -1.839 52.195 54.000 0.057 0.000 0.976 331 D CB 1.567 42.401 40.800 0.058 0.000 1.257 331 D HN -0.030 nan 8.370 nan 0.000 0.570 332 P HA -0.105 nan 4.420 nan 0.000 0.225 332 P C 0.311 177.892 177.300 0.469 0.000 1.148 332 P CA 0.891 64.141 63.100 0.249 0.000 0.779 332 P CB 0.027 31.776 31.700 0.082 0.000 0.780 333 H N -3.012 116.206 119.070 0.246 0.000 2.550 333 H HA 0.084 4.642 4.556 0.002 0.000 0.304 333 H C 1.303 176.843 175.328 0.354 0.000 1.086 333 H CA -0.689 55.528 56.048 0.282 0.000 1.089 333 H CB -0.387 29.494 29.762 0.197 0.000 1.528 333 H HN 0.145 nan 8.280 nan 0.000 0.539 334 W N 1.851 123.298 121.300 0.245 0.000 2.325 334 W HA -0.298 4.363 4.660 0.002 0.000 0.299 334 W C 2.258 178.938 176.519 0.267 0.000 1.215 334 W CA 1.981 59.406 57.345 0.133 0.000 1.244 334 W CB -0.070 29.192 29.460 -0.331 0.000 1.140 334 W HN 0.265 nan 8.180 nan 0.000 0.523 335 A N -0.585 122.526 122.820 0.486 0.000 1.940 335 A HA -0.297 4.025 4.320 0.002 0.000 0.219 335 A C 1.818 179.538 177.584 0.228 0.000 1.176 335 A CA 1.851 54.103 52.037 0.358 0.000 0.631 335 A CB -1.550 17.735 19.000 0.475 0.000 0.814 335 A HN 0.625 nan 8.150 nan 0.000 0.446 336 Y N -0.684 119.678 120.300 0.103 0.000 2.200 336 Y HA -0.144 4.407 4.550 0.002 0.000 0.290 336 Y C 1.899 177.771 175.900 -0.048 0.000 1.137 336 Y CA 1.500 59.609 58.100 0.014 0.000 1.163 336 Y CB -0.723 37.758 38.460 0.035 0.000 0.988 336 Y HN 0.334 nan 8.280 nan 0.000 0.518 337 F N 0.988 120.694 119.950 -0.405 0.000 2.134 337 F HA -0.102 4.426 4.527 0.002 0.000 0.299 337 F C 2.248 177.709 175.800 -0.565 0.000 1.097 337 F CA 1.678 59.347 58.000 -0.553 0.000 1.264 337 F CB -0.987 37.765 39.000 -0.414 0.000 1.001 337 F HN 0.075 nan 8.300 nan 0.000 0.479 338 A N 0.691 122.965 122.820 -0.911 0.000 1.902 338 A HA -0.014 4.307 4.320 0.002 0.000 0.217 338 A C 2.471 179.818 177.584 -0.395 0.000 1.181 338 A CA 1.807 53.321 52.037 -0.872 0.000 0.623 338 A CB -1.613 16.775 19.000 -1.020 0.000 0.818 338 A HN 0.539 nan 8.150 nan 0.000 0.443 339 A N -0.120 122.541 122.820 -0.266 0.000 1.908 339 A HA -0.196 4.125 4.320 0.002 0.000 0.218 339 A C 2.131 179.474 177.584 -0.402 0.000 1.181 339 A CA 1.910 53.661 52.037 -0.476 0.000 0.627 339 A CB -0.445 18.172 19.000 -0.638 0.000 0.818 339 A HN 0.556 nan 8.150 nan 0.000 0.445 340 K N -0.684 119.436 120.400 -0.467 0.000 2.026 340 K HA -0.123 4.198 4.320 0.002 0.000 0.208 340 K C 2.011 178.394 176.600 -0.362 0.000 1.048 340 K CA 1.265 57.311 56.287 -0.401 0.000 0.929 340 K CB -0.191 32.022 32.500 -0.480 0.000 0.713 340 K HN 0.359 nan 8.250 nan 0.000 0.439 341 E N 0.966 120.857 120.200 -0.515 0.000 2.130 341 E HA -0.164 4.188 4.350 0.002 0.000 0.196 341 E C 1.777 178.228 176.600 -0.248 0.000 0.998 341 E CA 1.129 57.266 56.400 -0.438 0.000 0.806 341 E CB -0.044 29.249 29.700 -0.678 0.000 0.738 341 E HN 0.324 nan 8.360 nan 0.000 0.459 342 L N -0.411 120.686 121.223 -0.210 0.000 2.611 342 L HA 0.168 4.509 4.340 0.002 0.000 0.229 342 L C 1.123 177.939 176.870 -0.090 0.000 1.137 342 L CA 0.274 55.056 54.840 -0.097 0.000 0.901 342 L CB -0.159 41.897 42.059 -0.005 0.000 1.098 342 L HN 0.142 nan 8.230 nan 0.000 0.456 343 G N 0.835 109.556 108.800 -0.131 0.000 2.221 343 G HA2 -0.252 3.709 3.960 0.002 0.000 0.265 343 G HA3 -0.252 3.709 3.960 0.002 0.000 0.265 343 G C 0.227 175.063 174.900 -0.106 0.000 1.041 343 G CA 0.105 45.141 45.100 -0.106 0.000 0.807 343 G HN 0.138 nan 8.290 nan 0.000 0.502 344 V N 0.630 120.446 119.914 -0.164 0.000 2.740 344 V HA 0.152 4.273 4.120 0.002 0.000 0.303 344 V C 1.090 177.102 176.094 -0.137 0.000 1.054 344 V CA -0.278 61.910 62.300 -0.187 0.000 1.106 344 V CB 1.257 32.834 31.823 -0.410 0.000 0.957 344 V HN 0.414 nan 8.190 nan 0.000 0.486 345 E N 4.682 124.827 120.200 -0.090 0.000 2.376 345 E HA 0.066 4.417 4.350 0.002 0.000 0.266 345 E C 0.170 176.751 176.600 -0.032 0.000 1.009 345 E CA -0.149 56.220 56.400 -0.051 0.000 0.902 345 E CB 0.349 30.027 29.700 -0.036 0.000 0.972 345 E HN 0.458 nan 8.360 nan 0.000 0.439 346 K N 0.898 121.309 120.400 0.018 0.000 3.244 346 K HA -0.241 4.080 4.320 0.002 0.000 0.270 346 K C 0.664 177.334 176.600 0.118 0.000 1.016 346 K CA 0.775 57.134 56.287 0.121 0.000 0.754 346 K CB -2.023 30.544 32.500 0.111 0.000 1.326 346 K HN 0.668 nan 8.250 nan 0.000 0.465 347 A N 0.633 123.470 122.820 0.029 0.000 1.978 347 A HA -0.209 4.112 4.320 0.002 0.000 0.220 347 A C 2.203 179.872 177.584 0.141 0.000 1.170 347 A CA 2.263 54.285 52.037 -0.024 0.000 0.636 347 A CB -0.353 18.582 19.000 -0.109 0.000 0.810 347 A HN 0.709 nan 8.150 nan 0.000 0.448 348 S N -1.813 113.985 115.700 0.163 0.000 2.419 348 S HA -0.192 4.279 4.470 0.002 0.000 0.233 348 S C 1.297 175.740 174.600 -0.261 0.000 1.016 348 S CA 0.979 59.160 58.200 -0.031 0.000 0.974 348 S CB -0.789 62.294 63.200 -0.196 0.000 0.786 348 S HN 0.682 nan 8.310 nan 0.000 0.492 349 W N 3.127 124.418 121.300 -0.015 0.000 3.391 349 W HA 0.193 4.854 4.660 0.002 0.000 0.275 349 W C 2.177 178.687 176.519 -0.014 0.000 1.318 349 W CA 0.584 57.912 57.345 -0.028 0.000 1.665 349 W CB -0.723 28.717 29.460 -0.034 0.000 1.078 349 W HN 0.530 nan 8.180 nan 0.000 0.732 350 T N -2.625 111.987 114.554 0.096 0.000 3.023 350 T HA 0.069 4.420 4.350 0.002 0.000 0.266 350 T C 0.765 175.500 174.700 0.059 0.000 1.093 350 T CA 0.536 62.703 62.100 0.112 0.000 1.129 350 T CB -0.062 68.892 68.868 0.143 0.000 0.899 350 T HN -0.061 nan 8.240 nan 0.000 0.491 351 L N 0.923 122.108 121.223 -0.063 0.000 2.358 351 L HA 0.540 4.882 4.340 0.002 0.000 0.268 351 L C -2.490 174.287 176.870 -0.155 0.000 1.032 351 L CA -3.105 51.651 54.840 -0.140 0.000 0.805 351 L CB 1.067 42.976 42.059 -0.249 0.000 1.253 351 L HN -0.163 nan 8.230 nan 0.000 0.452 352 P HA 0.045 nan 4.420 nan 0.000 0.269 352 P C 0.058 177.190 177.300 -0.279 0.000 1.215 352 P CA -0.093 62.892 63.100 -0.193 0.000 0.780 352 P CB 0.760 32.287 31.700 -0.288 0.000 0.898 353 A N 4.712 127.448 122.820 -0.140 0.000 1.903 353 A HA -0.179 4.143 4.320 0.002 0.000 0.219 353 A C -0.429 177.060 177.584 -0.158 0.000 1.191 353 A CA 2.129 54.071 52.037 -0.158 0.000 0.638 353 A CB -2.607 16.481 19.000 0.147 0.000 0.823 353 A HN 0.524 nan 8.150 nan 0.000 0.451 354 P HA -0.136 nan 4.420 nan 0.000 0.222 354 P C 0.529 177.976 177.300 0.245 0.000 1.142 354 P CA 1.189 64.301 63.100 0.020 0.000 0.788 354 P CB -0.046 31.556 31.700 -0.163 0.000 0.767 355 Y N -1.669 118.624 120.300 -0.012 0.000 2.472 355 Y HA 0.365 4.916 4.550 0.002 0.000 0.288 355 Y C 2.496 178.263 175.900 -0.221 0.000 1.154 355 Y CA -0.291 57.781 58.100 -0.048 0.000 1.238 355 Y CB -1.454 36.898 38.460 -0.180 0.000 1.287 355 Y HN -0.190 nan 8.280 nan 0.000 0.524 356 A N 0.197 122.787 122.820 -0.383 0.000 1.917 356 A HA -0.331 3.991 4.320 0.002 0.000 0.219 356 A C 2.015 179.085 177.584 -0.856 0.000 1.182 356 A CA 2.506 53.998 52.037 -0.908 0.000 0.633 356 A CB -1.319 16.599 19.000 -1.803 0.000 0.819 356 A HN 0.628 nan 8.150 nan 0.000 0.448 357 H N -1.998 116.588 119.070 -0.807 0.000 2.387 357 H HA -0.200 4.357 4.556 0.002 0.000 0.299 357 H C 1.515 176.437 175.328 -0.677 0.000 1.099 357 H CA 2.253 57.911 56.048 -0.649 0.000 1.315 357 H CB -0.253 29.039 29.762 -0.784 0.000 1.380 357 H HN 0.720 nan 8.280 nan 0.000 0.513 358 W N -0.591 120.626 121.300 -0.138 0.000 3.077 358 W HA 0.221 4.882 4.660 0.002 0.000 0.266 358 W C 1.365 177.807 176.519 -0.129 0.000 1.300 358 W CA -0.073 57.199 57.345 -0.121 0.000 1.586 358 W CB 0.326 29.775 29.460 -0.018 0.000 1.103 358 W HN 0.107 nan 8.180 nan 0.000 0.652 359 L N 0.512 121.715 121.223 -0.034 0.000 2.616 359 L HA 0.159 4.501 4.340 0.002 0.000 0.229 359 L C 1.272 178.127 176.870 -0.025 0.000 1.110 359 L CA 0.070 54.891 54.840 -0.032 0.000 0.884 359 L CB -0.466 41.501 42.059 -0.152 0.000 1.115 359 L HN -0.013 nan 8.230 nan 0.000 0.481 360 E N 0.000 120.143 120.200 -0.094 0.000 2.725 360 E HA 0.000 4.351 4.350 0.002 0.000 0.291 360 E CA 0.000 56.388 56.400 -0.021 0.000 0.976 360 E CB 0.000 29.721 29.700 0.034 0.000 0.812 360 E HN 0.000 nan 8.360 nan 0.000 0.440