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 2d4e_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRYADRVAGI SWETIEEVRR RLKERPALHF IAGEFVPSES GETFPSLDPA DATA SEQUENCE TNEVLGVAAR GGEREVDRAA KAAHEAFQRW SRTKAKERKR YLLRIAELIE DATA SEQUENCE KHADELAVME CLDAGQVLRI VRAQVARAAE NFAFYAEYAE HAMEDRTFPV DATA SEQUENCE DRDWLYYTVR VPAGPVGIIT PWNAPLMLST WRIAPALAFG NTVVLKPAEW DATA SEQUENCE SPFTATKLAE ILKEADLPPG VFNLVQGFGE EAGAALVAHP LVPLLTLTGE DATA SEQUENCE TETGKIVMRN AADHLKRLSP ELGGKSPALV FADADLERAL DAVVFQIFSF DATA SEQUENCE NGERCTASSR LLVEEKIFED FVGKVVERAR AIRVGHPLDP ETEVGPLIHP DATA SEQUENCE EHLQRVLGYV EAGKREGARL LVGGERAKTS FRGEDLSRGN YLLPTVFVGE DATA SEQUENCE NHMKIAQEEI FGPVLVAIPF KDEEEALRKA NDTKYGLAAY VFTRDLERAH DATA SEQUENCE RLALELEAGM VYLNSHNVRH LPTPFGGVKG SGDRREGGTY ALDFYTDLKT DATA SEQUENCE IALPLRPPHV PKFGK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.776 176.300 -0.873 0.000 1.140 1 M CA 0.000 54.965 55.300 -0.559 0.000 0.988 1 M CB 0.000 32.147 32.600 -0.755 0.000 1.302 2 R N 3.149 123.102 120.500 -0.913 0.000 2.272 2 R HA 0.207 4.538 4.340 -0.016 0.000 0.334 2 R C -0.329 175.257 176.300 -1.189 0.000 1.117 2 R CA 0.223 55.345 56.100 -1.630 0.000 0.966 2 R CB 0.181 29.693 30.300 -1.314 0.000 1.049 2 R HN 0.658 nan 8.270 nan 0.000 0.477 3 Y N 2.675 122.477 120.300 -0.831 0.000 2.314 3 Y HA 0.056 4.597 4.550 -0.016 0.000 0.293 3 Y C 1.087 176.833 175.900 -0.257 0.000 1.129 3 Y CA 1.083 58.985 58.100 -0.330 0.000 1.201 3 Y CB 0.420 38.832 38.460 -0.079 0.000 0.999 3 Y HN 0.656 nan 8.280 nan 0.000 0.541 4 A N -1.146 121.560 122.820 -0.189 0.000 2.601 4 A HA 0.301 4.611 4.320 -0.016 0.000 0.291 4 A C -0.249 177.332 177.584 -0.005 0.000 1.075 4 A CA -0.518 51.489 52.037 -0.049 0.000 0.671 4 A CB 0.290 19.342 19.000 0.087 0.000 1.277 4 A HN 0.002 nan 8.150 nan 0.000 0.417 5 D N 0.187 120.605 120.400 0.031 0.000 2.144 5 D HA -0.032 4.599 4.640 -0.016 0.000 0.199 5 D C 0.291 176.712 176.300 0.202 0.000 0.984 5 D CA 1.411 55.467 54.000 0.093 0.000 0.834 5 D CB 0.151 40.984 40.800 0.054 0.000 0.955 5 D HN 0.479 nan 8.370 nan 0.000 0.465 6 R N -0.408 120.202 120.500 0.183 0.000 2.673 6 R HA 0.604 4.934 4.340 -0.016 0.000 0.281 6 R C -1.222 175.194 176.300 0.194 0.000 0.991 6 R CA -0.650 55.560 56.100 0.184 0.000 0.896 6 R CB 3.035 33.403 30.300 0.112 0.000 1.201 6 R HN -0.253 nan 8.270 nan 0.000 0.457 7 V N 1.555 121.584 119.914 0.192 0.000 2.525 7 V HA 0.458 4.569 4.120 -0.016 0.000 0.299 7 V C 0.374 176.531 176.094 0.104 0.000 1.034 7 V CA -0.232 62.170 62.300 0.169 0.000 0.863 7 V CB 1.530 33.496 31.823 0.238 0.000 0.999 7 V HN 1.062 nan 8.190 nan 0.000 0.423 8 A N 3.709 126.579 122.820 0.083 0.000 2.832 8 A HA 0.035 4.346 4.320 -0.016 0.000 0.280 8 A C 1.753 179.371 177.584 0.057 0.000 1.464 8 A CA 1.413 53.488 52.037 0.063 0.000 0.804 8 A CB -1.582 17.453 19.000 0.058 0.000 1.020 8 A HN 2.751 nan 8.150 nan 0.000 0.563 9 G N -2.578 106.259 108.800 0.061 0.000 2.162 9 G HA2 -0.241 3.710 3.960 -0.016 0.000 0.260 9 G HA3 -0.241 3.710 3.960 -0.016 0.000 0.260 9 G C 0.085 175.016 174.900 0.051 0.000 0.976 9 G CA 0.544 45.676 45.100 0.053 0.000 0.655 9 G HN 1.536 nan 8.290 nan 0.000 0.533 10 I N 2.007 122.611 120.570 0.057 0.000 2.377 10 I HA 0.424 4.585 4.170 -0.016 0.000 0.293 10 I C 1.091 177.248 176.117 0.066 0.000 0.987 10 I CA -0.441 60.885 61.300 0.042 0.000 1.185 10 I CB 1.780 39.789 38.000 0.016 0.000 1.341 10 I HN 0.297 nan 8.210 nan 0.000 0.455 11 S N 5.497 121.232 115.700 0.058 0.000 2.572 11 S HA 0.012 4.472 4.470 -0.016 0.000 0.279 11 S C 0.889 175.552 174.600 0.105 0.000 1.341 11 S CA -0.537 57.721 58.200 0.098 0.000 1.043 11 S CB 0.820 64.064 63.200 0.073 0.000 0.887 11 S HN 0.844 nan 8.310 nan 0.000 0.516 12 W N 2.064 123.375 121.300 0.018 0.000 2.374 12 W HA -0.117 4.534 4.660 -0.016 0.000 0.288 12 W C 1.210 177.733 176.519 0.006 0.000 1.218 12 W CA 1.707 59.061 57.345 0.014 0.000 1.245 12 W CB -0.297 29.165 29.460 0.004 0.000 1.126 12 W HN 0.856 nan 8.180 nan 0.000 0.545 13 E N -0.501 119.776 120.200 0.128 0.000 2.077 13 E HA -0.184 4.156 4.350 -0.016 0.000 0.193 13 E C 2.128 178.707 176.600 -0.034 0.000 0.989 13 E CA 2.553 58.986 56.400 0.055 0.000 0.800 13 E CB -0.939 28.798 29.700 0.061 0.000 0.746 13 E HN 0.010 nan 8.360 nan 0.000 0.452 14 T N 0.803 115.330 114.554 -0.045 0.000 2.708 14 T HA -0.113 4.228 4.350 -0.016 0.000 0.266 14 T C 1.929 176.549 174.700 -0.133 0.000 1.037 14 T CA 1.112 63.172 62.100 -0.066 0.000 1.146 14 T CB -0.313 68.529 68.868 -0.044 0.000 0.865 14 T HN 0.094 nan 8.240 nan 0.000 0.435 15 I N 1.111 121.537 120.570 -0.240 0.000 2.151 15 I HA -0.229 3.932 4.170 -0.016 0.000 0.243 15 I C 2.608 178.543 176.117 -0.304 0.000 1.080 15 I CA 1.595 62.681 61.300 -0.357 0.000 1.339 15 I CB -0.427 37.130 38.000 -0.739 0.000 1.039 15 I HN 0.378 nan 8.210 nan 0.000 0.409 16 E N 0.363 120.388 120.200 -0.292 0.000 2.150 16 E HA -0.208 4.132 4.350 -0.016 0.000 0.193 16 E C 2.034 178.575 176.600 -0.099 0.000 0.985 16 E CA 0.904 57.210 56.400 -0.158 0.000 0.814 16 E CB -0.080 29.581 29.700 -0.066 0.000 0.752 16 E HN 0.550 nan 8.360 nan 0.000 0.466 17 E N 0.567 120.713 120.200 -0.090 0.000 2.047 17 E HA -0.149 4.191 4.350 -0.016 0.000 0.191 17 E C 2.248 178.799 176.600 -0.082 0.000 0.987 17 E CA 1.070 57.429 56.400 -0.067 0.000 0.799 17 E CB 0.065 29.735 29.700 -0.050 0.000 0.752 17 E HN 0.039 nan 8.360 nan 0.000 0.449 18 V N 1.280 121.138 119.914 -0.094 0.000 2.287 18 V HA -0.291 3.820 4.120 -0.016 0.000 0.248 18 V C 2.455 178.476 176.094 -0.123 0.000 1.053 18 V CA 2.029 64.269 62.300 -0.100 0.000 1.027 18 V CB -0.536 31.232 31.823 -0.091 0.000 0.646 18 V HN 0.231 nan 8.190 nan 0.000 0.447 19 R N 0.045 120.473 120.500 -0.119 0.000 2.103 19 R HA -0.240 4.090 4.340 -0.016 0.000 0.242 19 R C 2.503 178.734 176.300 -0.116 0.000 1.142 19 R CA 2.209 58.241 56.100 -0.114 0.000 0.960 19 R CB -0.277 29.970 30.300 -0.089 0.000 0.858 19 R HN 0.454 nan 8.270 nan 0.000 0.439 20 R N 0.152 120.595 120.500 -0.096 0.000 2.092 20 R HA -0.056 4.274 4.340 -0.016 0.000 0.231 20 R C 2.242 178.479 176.300 -0.105 0.000 1.119 20 R CA 1.327 57.376 56.100 -0.084 0.000 0.970 20 R CB -0.022 30.242 30.300 -0.061 0.000 0.864 20 R HN 0.203 nan 8.270 nan 0.000 0.440 21 R N 0.165 120.594 120.500 -0.119 0.000 2.115 21 R HA -0.048 4.282 4.340 -0.016 0.000 0.230 21 R C 2.258 178.442 176.300 -0.194 0.000 1.111 21 R CA 1.029 57.049 56.100 -0.133 0.000 0.976 21 R CB -0.193 30.035 30.300 -0.121 0.000 0.870 21 R HN 0.300 nan 8.270 nan 0.000 0.445 22 L N 0.546 121.612 121.223 -0.261 0.000 2.093 22 L HA -0.159 4.171 4.340 -0.016 0.000 0.208 22 L C 2.540 179.199 176.870 -0.352 0.000 1.085 22 L CA 1.322 55.893 54.840 -0.449 0.000 0.755 22 L CB -0.307 41.395 42.059 -0.595 0.000 0.904 22 L HN 0.138 nan 8.230 nan 0.000 0.435 23 K N 0.149 120.421 120.400 -0.214 0.000 2.228 23 K HA -0.175 4.135 4.320 -0.016 0.000 0.202 23 K C 2.039 178.578 176.600 -0.103 0.000 1.051 23 K CA 0.897 57.105 56.287 -0.132 0.000 0.960 23 K CB 0.214 32.663 32.500 -0.086 0.000 0.743 23 K HN 0.256 nan 8.250 nan 0.000 0.458 24 E N 0.018 120.153 120.200 -0.109 0.000 2.086 24 E HA -0.057 4.283 4.350 -0.016 0.000 0.190 24 E C -0.160 176.388 176.600 -0.088 0.000 0.975 24 E CA 0.314 56.664 56.400 -0.083 0.000 0.813 24 E CB 0.450 30.105 29.700 -0.076 0.000 0.768 24 E HN 0.002 nan 8.360 nan 0.000 0.457 25 R N 1.941 122.370 120.500 -0.118 0.000 2.265 25 R HA 0.390 4.721 4.340 -0.016 0.000 0.328 25 R C -2.516 173.720 176.300 -0.107 0.000 0.969 25 R CA -2.506 53.526 56.100 -0.112 0.000 0.832 25 R CB 0.918 31.139 30.300 -0.131 0.000 1.139 25 R HN 0.118 nan 8.270 nan 0.000 0.457 26 P HA 0.064 nan 4.420 nan 0.000 0.268 26 P C -0.625 176.654 177.300 -0.035 0.000 1.205 26 P CA -0.121 62.951 63.100 -0.047 0.000 0.771 26 P CB 0.704 32.373 31.700 -0.052 0.000 0.858 27 A N 4.227 127.064 122.820 0.028 0.000 2.350 27 A HA 0.352 4.662 4.320 -0.016 0.000 0.293 27 A C 0.011 177.582 177.584 -0.021 0.000 1.231 27 A CA -0.225 51.849 52.037 0.063 0.000 0.883 27 A CB -0.779 18.346 19.000 0.210 0.000 1.133 27 A HN 0.488 nan 8.150 nan 0.000 0.533 28 L N 2.642 123.882 121.223 0.028 0.000 2.400 28 L HA 0.410 4.740 4.340 -0.016 0.000 0.264 28 L C 0.492 177.451 176.870 0.147 0.000 1.061 28 L CA -1.159 53.687 54.840 0.010 0.000 0.799 28 L CB 0.567 42.706 42.059 0.133 0.000 1.240 28 L HN 0.662 nan 8.230 nan 0.000 0.461 29 H N 0.133 119.338 119.070 0.226 0.000 2.603 29 H HA 0.199 4.746 4.556 -0.016 0.000 0.370 29 H C -1.124 174.314 175.328 0.183 0.000 1.225 29 H CA -0.089 56.062 56.048 0.172 0.000 1.410 29 H CB 1.073 30.871 29.762 0.060 0.000 1.495 29 H HN 0.295 nan 8.280 nan 0.000 0.602 30 F N 1.806 121.773 119.950 0.028 0.000 2.500 30 F HA 0.421 4.938 4.527 -0.016 0.000 0.349 30 F C -1.088 174.598 175.800 -0.191 0.000 1.127 30 F CA -0.540 57.298 58.000 -0.271 0.000 0.998 30 F CB 0.246 38.986 39.000 -0.434 0.000 1.237 30 F HN 0.283 nan 8.300 nan 0.000 0.439 31 I N 5.465 125.705 120.570 -0.549 0.000 2.545 31 I HA 0.511 4.672 4.170 -0.016 0.000 0.292 31 I C 0.431 176.268 176.117 -0.468 0.000 1.040 31 I CA -1.222 59.846 61.300 -0.387 0.000 1.068 31 I CB 2.041 39.909 38.000 -0.220 0.000 1.251 31 I HN 0.752 nan 8.210 nan 0.000 0.424 32 A N 4.488 127.110 122.820 -0.330 0.000 2.640 32 A HA -0.078 4.232 4.320 -0.016 0.000 0.300 32 A C 1.336 178.718 177.584 -0.336 0.000 1.499 32 A CA 1.073 52.958 52.037 -0.254 0.000 0.759 32 A CB -1.900 16.995 19.000 -0.176 0.000 1.048 32 A HN 2.026 nan 8.150 nan 0.000 0.450 33 G N -2.173 106.311 108.800 -0.526 0.000 2.148 33 G HA2 -0.163 3.787 3.960 -0.016 0.000 0.254 33 G HA3 -0.163 3.787 3.960 -0.016 0.000 0.254 33 G C -0.233 174.234 174.900 -0.721 0.000 0.981 33 G CA 0.945 45.756 45.100 -0.481 0.000 0.670 33 G HN 1.430 nan 8.290 nan 0.000 0.528 34 E N -1.433 118.070 120.200 -1.162 0.000 2.390 34 E HA 0.558 4.899 4.350 -0.016 0.000 0.277 34 E C -1.019 175.171 176.600 -0.684 0.000 0.939 34 E CA -1.028 54.983 56.400 -0.647 0.000 0.769 34 E CB 1.378 30.924 29.700 -0.255 0.000 1.251 34 E HN 0.055 nan 8.360 nan 0.000 0.450 35 F N 1.778 121.703 119.950 -0.042 0.000 2.438 35 F HA 0.315 4.832 4.527 -0.016 0.000 0.356 35 F C 0.373 176.184 175.800 0.019 0.000 1.099 35 F CA -0.324 57.734 58.000 0.096 0.000 1.185 35 F CB 1.025 40.134 39.000 0.182 0.000 1.115 35 F HN 0.130 nan 8.300 nan 0.000 0.526 36 V N 2.514 122.540 119.914 0.185 0.000 3.049 36 V HA 0.723 4.834 4.120 -0.016 0.000 0.309 36 V C -2.892 173.286 176.094 0.140 0.000 1.148 36 V CA -2.393 59.982 62.300 0.125 0.000 0.990 36 V CB 2.142 34.003 31.823 0.064 0.000 1.039 36 V HN 0.438 nan 8.190 nan 0.000 0.430 37 P HA 0.401 nan 4.420 nan 0.000 0.284 37 P C -0.247 177.169 177.300 0.193 0.000 1.292 37 P CA -0.256 62.880 63.100 0.059 0.000 0.800 37 P CB 1.247 32.967 31.700 0.034 0.000 1.188 38 S N -0.150 115.667 115.700 0.195 0.000 2.592 38 S HA 0.058 4.518 4.470 -0.016 0.000 0.271 38 S C 1.405 176.070 174.600 0.108 0.000 1.326 38 S CA -0.404 57.931 58.200 0.225 0.000 1.024 38 S CB 0.076 63.409 63.200 0.222 0.000 0.921 38 S HN 0.387 nan 8.310 nan 0.000 0.527 39 E N 1.270 121.513 120.200 0.071 0.000 2.204 39 E HA -0.138 4.203 4.350 -0.016 0.000 0.195 39 E C 1.933 178.558 176.600 0.042 0.000 0.990 39 E CA 1.294 57.720 56.400 0.044 0.000 0.821 39 E CB -0.091 29.624 29.700 0.025 0.000 0.750 39 E HN 0.707 nan 8.360 nan 0.000 0.477 40 S N -0.705 115.024 115.700 0.048 0.000 2.522 40 S HA 0.071 4.532 4.470 -0.016 0.000 0.227 40 S C 1.780 176.407 174.600 0.045 0.000 0.986 40 S CA 0.556 58.783 58.200 0.044 0.000 0.929 40 S CB 0.220 63.448 63.200 0.046 0.000 0.769 40 S HN 0.388 nan 8.310 nan 0.000 0.529 41 G N 0.772 109.603 108.800 0.051 0.000 2.212 41 G HA2 -0.286 3.664 3.960 -0.016 0.000 0.266 41 G HA3 -0.286 3.664 3.960 -0.016 0.000 0.266 41 G C -0.129 174.797 174.900 0.043 0.000 0.978 41 G CA 0.354 45.479 45.100 0.042 0.000 0.632 41 G HN 0.630 nan 8.290 nan 0.000 0.537 42 E N 1.147 121.381 120.200 0.056 0.000 2.398 42 E HA 0.471 4.811 4.350 -0.016 0.000 0.263 42 E C 0.823 177.461 176.600 0.063 0.000 1.046 42 E CA 0.890 57.329 56.400 0.064 0.000 0.908 42 E CB 0.599 30.343 29.700 0.075 0.000 0.963 42 E HN 0.540 nan 8.360 nan 0.000 0.431 43 T N -0.831 113.764 114.554 0.069 0.000 2.841 43 T HA 0.677 5.018 4.350 -0.016 0.000 0.296 43 T C -0.909 173.874 174.700 0.139 0.000 1.166 43 T CA -1.010 61.111 62.100 0.036 0.000 1.007 43 T CB 0.853 69.697 68.868 -0.039 0.000 1.253 43 T HN 0.412 nan 8.240 nan 0.000 0.511 44 F N -0.936 119.017 119.950 0.004 0.000 2.578 44 F HA 0.872 5.389 4.527 -0.016 0.000 0.311 44 F C -3.151 172.717 175.800 0.112 0.000 1.094 44 F CA -2.630 55.417 58.000 0.077 0.000 0.923 44 F CB 1.408 40.432 39.000 0.041 0.000 1.230 44 F HN 0.493 nan 8.300 nan 0.000 0.450 45 P HA 0.302 nan 4.420 nan 0.000 0.282 45 P C -1.227 176.222 177.300 0.247 0.000 1.259 45 P CA -0.447 62.750 63.100 0.161 0.000 0.826 45 P CB 2.055 33.860 31.700 0.175 0.000 1.064 46 S N 1.107 116.908 115.700 0.168 0.000 2.561 46 S HA 0.532 4.993 4.470 -0.016 0.000 0.303 46 S C -0.353 174.349 174.600 0.170 0.000 1.110 46 S CA -0.802 57.490 58.200 0.154 0.000 1.034 46 S CB 0.005 63.119 63.200 -0.143 0.000 1.010 46 S HN 0.245 nan 8.310 nan 0.000 0.482 47 L N 2.796 124.078 121.223 0.098 0.000 2.439 47 L HA 0.512 4.843 4.340 -0.016 0.000 0.259 47 L C 0.128 177.005 176.870 0.013 0.000 1.129 47 L CA -0.917 53.936 54.840 0.020 0.000 0.803 47 L CB 0.556 42.545 42.059 -0.117 0.000 1.161 47 L HN 0.593 nan 8.230 nan 0.000 0.462 48 D N 2.553 122.951 120.400 -0.004 0.000 2.396 48 D HA 0.157 4.788 4.640 -0.016 0.000 0.225 48 D C -1.619 174.624 176.300 -0.095 0.000 1.121 48 D CA -2.301 51.692 54.000 -0.011 0.000 0.853 48 D CB 1.470 42.284 40.800 0.024 0.000 1.043 48 D HN 0.188 nan 8.370 nan 0.000 0.500 49 P HA -0.163 nan 4.420 nan 0.000 0.222 49 P C 0.873 178.006 177.300 -0.278 0.000 1.142 49 P CA 0.734 63.684 63.100 -0.251 0.000 0.788 49 P CB 0.273 31.809 31.700 -0.272 0.000 0.767 50 A N -0.154 122.541 122.820 -0.207 0.000 2.072 50 A HA 0.007 4.317 4.320 -0.016 0.000 0.216 50 A C 1.935 179.542 177.584 0.038 0.000 1.156 50 A CA 1.894 53.844 52.037 -0.145 0.000 0.701 50 A CB -0.911 17.954 19.000 -0.224 0.000 0.816 50 A HN 0.389 nan 8.150 nan 0.000 0.458 51 T N -6.588 107.969 114.554 0.006 0.000 3.046 51 T HA 0.139 4.480 4.350 -0.016 0.000 0.270 51 T C 0.436 175.127 174.700 -0.015 0.000 0.920 51 T CA 0.479 62.602 62.100 0.039 0.000 0.874 51 T CB -0.072 68.838 68.868 0.072 0.000 1.214 51 T HN 0.259 nan 8.240 nan 0.000 0.536 52 N N 1.762 120.420 118.700 -0.070 0.000 2.741 52 N HA -0.113 4.617 4.740 -0.016 0.000 0.251 52 N C -0.677 174.797 175.510 -0.059 0.000 1.112 52 N CA 1.055 54.038 53.050 -0.111 0.000 0.750 52 N CB -0.780 37.626 38.487 -0.134 0.000 1.119 52 N HN 0.679 nan 8.380 nan 0.000 0.561 53 E N 0.012 120.200 120.200 -0.020 0.000 2.283 53 E HA 0.346 4.686 4.350 -0.016 0.000 0.267 53 E C 0.395 177.007 176.600 0.020 0.000 1.045 53 E CA -0.691 55.712 56.400 0.006 0.000 0.884 53 E CB 1.586 31.299 29.700 0.022 0.000 1.106 53 E HN -0.092 nan 8.360 nan 0.000 0.408 54 V N 3.246 123.181 119.914 0.035 0.000 2.521 54 V HA -0.029 4.082 4.120 -0.016 0.000 0.286 54 V C 1.593 177.729 176.094 0.070 0.000 1.034 54 V CA 0.340 62.679 62.300 0.065 0.000 1.045 54 V CB 0.371 32.234 31.823 0.066 0.000 0.974 54 V HN 0.605 nan 8.190 nan 0.000 0.480 55 L N 3.846 125.143 121.223 0.123 0.000 2.202 55 L HA 0.380 4.710 4.340 -0.016 0.000 0.205 55 L C 1.140 178.011 176.870 0.002 0.000 1.083 55 L CA 1.263 56.156 54.840 0.088 0.000 0.790 55 L CB 0.094 42.287 42.059 0.222 0.000 0.942 55 L HN 0.887 nan 8.230 nan 0.000 0.452 56 G N -1.097 107.802 108.800 0.165 0.000 2.325 56 G HA2 0.390 4.340 3.960 -0.016 0.000 0.295 56 G HA3 0.390 4.340 3.960 -0.016 0.000 0.295 56 G C -1.787 173.273 174.900 0.266 0.000 1.274 56 G CA 0.068 45.226 45.100 0.097 0.000 0.857 56 G HN -0.090 nan 8.290 nan 0.000 0.499 57 V N -2.999 117.015 119.914 0.166 0.000 3.040 57 V HA 1.017 5.127 4.120 -0.016 0.000 0.312 57 V C -0.018 176.024 176.094 -0.086 0.000 1.115 57 V CA -0.348 61.952 62.300 -0.000 0.000 0.998 57 V CB 1.336 33.132 31.823 -0.046 0.000 1.042 57 V HN 2.462 nan 8.190 nan 0.000 0.433 58 A N 1.911 124.425 122.820 -0.510 0.000 2.435 58 A HA 0.980 5.291 4.320 -0.016 0.000 0.304 58 A C 0.184 177.456 177.584 -0.520 0.000 1.064 58 A CA -0.436 51.278 52.037 -0.539 0.000 0.727 58 A CB 1.464 20.010 19.000 -0.756 0.000 1.284 58 A HN 2.445 nan 8.150 nan 0.000 0.415 59 A N 1.247 123.886 122.820 -0.302 0.000 2.546 59 A HA 0.397 4.708 4.320 -0.016 0.000 0.243 59 A C 0.629 178.254 177.584 0.069 0.000 1.063 59 A CA 0.148 52.054 52.037 -0.219 0.000 0.757 59 A CB -0.179 18.462 19.000 -0.599 0.000 0.991 59 A HN 0.823 nan 8.150 nan 0.000 0.503 60 R N 3.003 123.610 120.500 0.178 0.000 2.408 60 R HA 0.338 4.669 4.340 -0.016 0.000 0.308 60 R C 0.590 176.990 176.300 0.168 0.000 1.210 60 R CA 0.264 56.479 56.100 0.192 0.000 1.115 60 R CB -0.141 30.204 30.300 0.074 0.000 1.127 60 R HN 0.857 nan 8.270 nan 0.000 0.523 61 G N 1.285 110.236 108.800 0.250 0.000 2.483 61 G HA2 0.437 4.388 3.960 -0.016 0.000 0.248 61 G HA3 0.437 4.388 3.960 -0.016 0.000 0.248 61 G C -0.216 174.662 174.900 -0.037 0.000 1.248 61 G CA -0.158 44.973 45.100 0.051 0.000 0.838 61 G HN 0.675 nan 8.290 nan 0.000 0.566 62 G N -0.334 108.432 108.800 -0.057 0.000 3.135 62 G HA2 0.444 4.395 3.960 -0.016 0.000 0.278 62 G HA3 0.444 4.395 3.960 -0.016 0.000 0.278 62 G C 0.547 175.422 174.900 -0.042 0.000 1.302 62 G CA -0.295 44.784 45.100 -0.034 0.000 0.880 62 G HN 0.492 nan 8.290 nan 0.000 0.574 63 E N -0.281 119.909 120.200 -0.017 0.000 2.114 63 E HA -0.189 4.152 4.350 -0.016 0.000 0.199 63 E C 2.511 179.104 176.600 -0.011 0.000 1.008 63 E CA 1.104 57.500 56.400 -0.007 0.000 0.810 63 E CB 0.012 29.711 29.700 -0.001 0.000 0.739 63 E HN 0.328 nan 8.360 nan 0.000 0.456 64 R N 0.531 121.018 120.500 -0.022 0.000 2.075 64 R HA -0.137 4.193 4.340 -0.016 0.000 0.232 64 R C 2.189 178.454 176.300 -0.059 0.000 1.126 64 R CA 1.309 57.393 56.100 -0.026 0.000 0.963 64 R CB -0.041 30.249 30.300 -0.018 0.000 0.858 64 R HN 0.080 nan 8.270 nan 0.000 0.435 65 E N -0.093 120.044 120.200 -0.105 0.000 2.106 65 E HA -0.106 4.234 4.350 -0.016 0.000 0.192 65 E C 1.958 178.447 176.600 -0.185 0.000 0.984 65 E CA 0.822 57.106 56.400 -0.194 0.000 0.806 65 E CB -0.093 29.370 29.700 -0.396 0.000 0.750 65 E HN 0.031 nan 8.360 nan 0.000 0.458 66 V N 1.269 121.100 119.914 -0.138 0.000 2.343 66 V HA -0.262 3.848 4.120 -0.016 0.000 0.247 66 V C 1.991 178.022 176.094 -0.104 0.000 1.051 66 V CA 2.074 64.306 62.300 -0.114 0.000 1.036 66 V CB -0.496 31.297 31.823 -0.049 0.000 0.654 66 V HN 0.275 nan 8.190 nan 0.000 0.451 67 D N 0.016 120.410 120.400 -0.009 0.000 2.123 67 D HA -0.195 4.436 4.640 -0.016 0.000 0.196 67 D C 2.354 178.616 176.300 -0.063 0.000 0.992 67 D CA 1.521 55.557 54.000 0.060 0.000 0.833 67 D CB -0.097 40.766 40.800 0.104 0.000 0.954 67 D HN 0.317 nan 8.370 nan 0.000 0.455 68 R N -0.126 120.327 120.500 -0.078 0.000 2.096 68 R HA 0.018 4.348 4.340 -0.016 0.000 0.235 68 R C 2.383 178.600 176.300 -0.138 0.000 1.127 68 R CA 1.218 57.262 56.100 -0.094 0.000 0.968 68 R CB -0.305 29.941 30.300 -0.091 0.000 0.861 68 R HN 0.183 nan 8.270 nan 0.000 0.440 69 A N 1.125 123.841 122.820 -0.174 0.000 1.898 69 A HA -0.084 4.227 4.320 -0.016 0.000 0.216 69 A C 2.355 179.809 177.584 -0.218 0.000 1.181 69 A CA 1.605 53.525 52.037 -0.195 0.000 0.620 69 A CB -0.675 18.202 19.000 -0.204 0.000 0.819 69 A HN 0.387 nan 8.150 nan 0.000 0.442 70 A N -0.213 122.417 122.820 -0.317 0.000 1.902 70 A HA -0.158 4.153 4.320 -0.016 0.000 0.217 70 A C 2.111 179.540 177.584 -0.259 0.000 1.181 70 A CA 1.841 53.619 52.037 -0.432 0.000 0.623 70 A CB -0.437 17.910 19.000 -1.089 0.000 0.818 70 A HN 0.531 nan 8.150 nan 0.000 0.443 71 K N -0.368 119.915 120.400 -0.195 0.000 2.097 71 K HA -0.067 4.244 4.320 -0.016 0.000 0.206 71 K C 2.289 178.889 176.600 0.001 0.000 1.049 71 K CA 1.092 57.353 56.287 -0.043 0.000 0.933 71 K CB -0.298 32.189 32.500 -0.022 0.000 0.717 71 K HN 0.457 nan 8.250 nan 0.000 0.442 72 A N 1.378 124.162 122.820 -0.060 0.000 1.873 72 A HA -0.100 4.210 4.320 -0.016 0.000 0.215 72 A C 2.357 179.919 177.584 -0.037 0.000 1.186 72 A CA 1.796 53.799 52.037 -0.057 0.000 0.616 72 A CB -0.686 18.250 19.000 -0.107 0.000 0.823 72 A HN 0.329 nan 8.150 nan 0.000 0.442 73 A N -0.896 121.890 122.820 -0.056 0.000 1.902 73 A HA -0.164 4.147 4.320 -0.016 0.000 0.217 73 A C 2.029 179.644 177.584 0.051 0.000 1.181 73 A CA 2.138 54.156 52.037 -0.031 0.000 0.623 73 A CB -0.885 18.070 19.000 -0.076 0.000 0.818 73 A HN 0.785 nan 8.150 nan 0.000 0.443 74 H N -0.406 118.641 119.070 -0.037 0.000 2.293 74 H HA -0.107 4.439 4.556 -0.016 0.000 0.300 74 H C 2.106 177.489 175.328 0.093 0.000 1.082 74 H CA 1.906 57.961 56.048 0.013 0.000 1.308 74 H CB -0.072 29.673 29.762 -0.029 0.000 1.375 74 H HN 0.439 nan 8.280 nan 0.000 0.495 75 E N 0.450 120.661 120.200 0.017 0.000 2.118 75 E HA -0.150 4.191 4.350 -0.016 0.000 0.195 75 E C 2.127 178.718 176.600 -0.014 0.000 0.992 75 E CA 1.136 57.523 56.400 -0.023 0.000 0.804 75 E CB -0.324 29.397 29.700 0.035 0.000 0.741 75 E HN 0.608 nan 8.360 nan 0.000 0.458 76 A N 0.004 122.839 122.820 0.025 0.000 2.119 76 A HA -0.064 4.247 4.320 -0.016 0.000 0.216 76 A C 1.884 179.551 177.584 0.139 0.000 1.152 76 A CA 0.414 52.485 52.037 0.056 0.000 0.708 76 A CB -0.688 18.322 19.000 0.016 0.000 0.805 76 A HN 0.362 nan 8.150 nan 0.000 0.460 77 F N 1.297 121.239 119.950 -0.013 0.000 2.126 77 F HA -0.252 4.264 4.527 -0.018 0.000 0.299 77 F C 2.391 178.220 175.800 0.048 0.000 1.096 77 F CA 2.095 60.125 58.000 0.049 0.000 1.255 77 F CB -0.136 38.853 39.000 -0.019 0.000 0.997 77 F HN 0.267 nan 8.300 nan 0.000 0.479 78 Q N 0.659 120.425 119.800 -0.056 0.000 2.045 78 Q HA -0.230 4.100 4.340 -0.016 0.000 0.206 78 Q C 2.351 178.265 176.000 -0.143 0.000 0.991 78 Q CA 2.170 57.888 55.803 -0.141 0.000 0.851 78 Q CB -0.848 27.853 28.738 -0.061 0.000 0.911 78 Q HN 0.488 nan 8.270 nan 0.000 0.418 79 R N -0.638 119.838 120.500 -0.040 0.000 2.100 79 R HA -0.009 4.322 4.340 -0.016 0.000 0.220 79 R C 2.170 178.490 176.300 0.034 0.000 1.091 79 R CA 0.684 56.785 56.100 0.000 0.000 0.986 79 R CB -0.335 29.998 30.300 0.055 0.000 0.888 79 R HN 0.402 nan 8.270 nan 0.000 0.444 80 W N 2.184 123.411 121.300 -0.122 0.000 2.358 80 W HA -0.172 4.479 4.660 -0.015 0.000 0.303 80 W C 1.664 178.096 176.519 -0.146 0.000 1.208 80 W CA 1.865 59.153 57.345 -0.095 0.000 1.274 80 W CB -0.091 29.344 29.460 -0.041 0.000 1.138 80 W HN 0.107 nan 8.180 nan 0.000 0.515 81 S N 0.577 116.096 115.700 -0.302 0.000 2.595 81 S HA -0.050 4.410 4.470 -0.016 0.000 0.235 81 S C 1.390 175.785 174.600 -0.342 0.000 0.974 81 S CA 0.614 58.541 58.200 -0.456 0.000 0.942 81 S CB -0.365 62.299 63.200 -0.895 0.000 0.766 81 S HN 0.374 nan 8.310 nan 0.000 0.536 82 R N 1.297 121.632 120.500 -0.275 0.000 2.437 82 R HA 0.148 4.479 4.340 -0.016 0.000 0.257 82 R C 0.287 176.481 176.300 -0.177 0.000 0.927 82 R CA 0.436 56.421 56.100 -0.191 0.000 1.078 82 R CB 0.415 30.632 30.300 -0.139 0.000 1.161 82 R HN 0.591 nan 8.270 nan 0.000 0.529 83 T N -0.169 114.238 114.554 -0.245 0.000 2.900 83 T HA 0.128 4.468 4.350 -0.016 0.000 0.307 83 T C 0.279 174.853 174.700 -0.210 0.000 1.065 83 T CA -0.402 61.566 62.100 -0.219 0.000 1.105 83 T CB 1.166 69.829 68.868 -0.342 0.000 0.979 83 T HN -0.066 nan 8.240 nan 0.000 0.544 84 K N 1.306 121.623 120.400 -0.138 0.000 2.412 84 K HA 0.365 4.676 4.320 -0.016 0.000 0.281 84 K C 1.558 178.078 176.600 -0.133 0.000 1.027 84 K CA -0.072 56.145 56.287 -0.117 0.000 0.989 84 K CB 0.601 33.053 32.500 -0.080 0.000 0.935 84 K HN 0.742 nan 8.250 nan 0.000 0.475 85 A N 4.008 126.756 122.820 -0.121 0.000 1.948 85 A HA -0.249 4.062 4.320 -0.016 0.000 0.220 85 A C 2.073 179.613 177.584 -0.074 0.000 1.177 85 A CA 1.803 53.779 52.037 -0.102 0.000 0.636 85 A CB -0.342 18.611 19.000 -0.079 0.000 0.815 85 A HN 0.880 nan 8.150 nan 0.000 0.449 86 K N -0.513 119.843 120.400 -0.073 0.000 2.097 86 K HA -0.230 4.081 4.320 -0.016 0.000 0.206 86 K C 1.973 178.544 176.600 -0.048 0.000 1.049 86 K CA 1.796 58.048 56.287 -0.058 0.000 0.933 86 K CB -0.096 32.367 32.500 -0.061 0.000 0.717 86 K HN 0.445 nan 8.250 nan 0.000 0.442 87 E N 0.770 120.936 120.200 -0.057 0.000 2.107 87 E HA -0.091 4.250 4.350 -0.016 0.000 0.191 87 E C 1.817 178.443 176.600 0.044 0.000 0.982 87 E CA 1.195 57.565 56.400 -0.049 0.000 0.809 87 E CB 0.116 29.796 29.700 -0.032 0.000 0.756 87 E HN 0.238 nan 8.360 nan 0.000 0.459 88 R N 0.241 120.755 120.500 0.024 0.000 2.115 88 R HA -0.068 4.262 4.340 -0.016 0.000 0.230 88 R C 2.391 178.805 176.300 0.191 0.000 1.111 88 R CA 1.364 57.536 56.100 0.120 0.000 0.976 88 R CB -0.285 29.921 30.300 -0.158 0.000 0.870 88 R HN 0.129 nan 8.270 nan 0.000 0.445 89 K N 1.379 121.830 120.400 0.085 0.000 2.057 89 K HA -0.190 4.121 4.320 -0.016 0.000 0.207 89 K C 2.205 178.860 176.600 0.092 0.000 1.049 89 K CA 1.319 57.658 56.287 0.088 0.000 0.931 89 K CB -0.046 32.475 32.500 0.034 0.000 0.714 89 K HN 0.003 nan 8.250 nan 0.000 0.440 90 R N -0.439 120.080 120.500 0.032 0.000 2.081 90 R HA -0.174 4.156 4.340 -0.016 0.000 0.235 90 R C 2.062 178.368 176.300 0.010 0.000 1.131 90 R CA 1.803 57.884 56.100 -0.032 0.000 0.960 90 R CB -0.408 29.802 30.300 -0.150 0.000 0.856 90 R HN 0.325 nan 8.270 nan 0.000 0.436 91 Y N 0.784 121.142 120.300 0.096 0.000 2.145 91 Y HA -0.229 4.311 4.550 -0.017 0.000 0.286 91 Y C 2.351 178.303 175.900 0.087 0.000 1.145 91 Y CA 1.343 59.511 58.100 0.113 0.000 1.148 91 Y CB -0.137 38.460 38.460 0.228 0.000 0.981 91 Y HN 0.052 nan 8.280 nan 0.000 0.507 92 L N -0.435 120.979 121.223 0.318 0.000 2.042 92 L HA -0.275 4.056 4.340 -0.016 0.000 0.210 92 L C 2.220 179.206 176.870 0.193 0.000 1.076 92 L CA 1.305 56.321 54.840 0.293 0.000 0.749 92 L CB -0.773 41.497 42.059 0.352 0.000 0.893 92 L HN 0.344 nan 8.230 nan 0.000 0.432 93 L N -0.543 120.772 121.223 0.153 0.000 2.131 93 L HA -0.193 4.138 4.340 -0.016 0.000 0.210 93 L C 2.793 179.699 176.870 0.060 0.000 1.092 93 L CA 0.763 55.667 54.840 0.107 0.000 0.759 93 L CB -0.429 41.676 42.059 0.077 0.000 0.903 93 L HN 0.237 nan 8.230 nan 0.000 0.435 94 R N 0.991 121.520 120.500 0.049 0.000 2.073 94 R HA -0.076 4.254 4.340 -0.016 0.000 0.229 94 R C 2.028 178.315 176.300 -0.022 0.000 1.120 94 R CA 1.492 57.606 56.100 0.022 0.000 0.967 94 R CB -0.539 29.786 30.300 0.042 0.000 0.862 94 R HN 0.244 nan 8.270 nan 0.000 0.436 95 I N 0.351 120.870 120.570 -0.086 0.000 2.226 95 I HA -0.232 3.929 4.170 -0.016 0.000 0.245 95 I C 2.250 178.214 176.117 -0.255 0.000 1.100 95 I CA 1.383 62.508 61.300 -0.291 0.000 1.374 95 I CB -0.442 37.154 38.000 -0.673 0.000 1.057 95 I HN 0.288 nan 8.210 nan 0.000 0.413 96 A N 0.263 123.013 122.820 -0.116 0.000 1.902 96 A HA -0.275 4.035 4.320 -0.016 0.000 0.217 96 A C 2.304 179.906 177.584 0.029 0.000 1.181 96 A CA 1.992 54.048 52.037 0.032 0.000 0.623 96 A CB -0.644 18.450 19.000 0.156 0.000 0.818 96 A HN 0.517 nan 8.150 nan 0.000 0.443 97 E N -0.129 120.081 120.200 0.018 0.000 2.051 97 E HA -0.156 4.184 4.350 -0.016 0.000 0.192 97 E C 1.890 178.496 176.600 0.009 0.000 0.991 97 E CA 1.155 57.565 56.400 0.018 0.000 0.799 97 E CB -0.210 29.498 29.700 0.014 0.000 0.748 97 E HN 0.624 nan 8.360 nan 0.000 0.449 98 L N 0.588 121.816 121.223 0.007 0.000 2.156 98 L HA -0.115 4.215 4.340 -0.016 0.000 0.208 98 L C 2.478 179.420 176.870 0.119 0.000 1.095 98 L CA 0.549 55.426 54.840 0.062 0.000 0.770 98 L CB -0.236 41.865 42.059 0.070 0.000 0.914 98 L HN 0.261 nan 8.230 nan 0.000 0.439 99 I N -0.114 120.481 120.570 0.042 0.000 2.226 99 I HA -0.272 3.888 4.170 -0.016 0.000 0.245 99 I C 2.364 178.529 176.117 0.079 0.000 1.100 99 I CA 1.345 62.683 61.300 0.064 0.000 1.374 99 I CB -0.175 37.850 38.000 0.041 0.000 1.057 99 I HN 0.289 nan 8.210 nan 0.000 0.413 100 E N 0.612 120.843 120.200 0.052 0.000 2.110 100 E HA -0.261 4.080 4.350 -0.016 0.000 0.193 100 E C 2.128 178.726 176.600 -0.003 0.000 0.988 100 E CA 1.002 57.424 56.400 0.036 0.000 0.804 100 E CB -0.047 29.672 29.700 0.033 0.000 0.745 100 E HN 0.332 nan 8.360 nan 0.000 0.458 101 K N 0.192 120.561 120.400 -0.052 0.000 2.148 101 K HA -0.109 4.202 4.320 -0.016 0.000 0.204 101 K C 1.165 177.596 176.600 -0.282 0.000 1.050 101 K CA 0.942 57.119 56.287 -0.183 0.000 0.942 101 K CB 0.172 32.505 32.500 -0.278 0.000 0.724 101 K HN 0.236 nan 8.250 nan 0.000 0.446 102 H N -0.896 118.173 119.070 -0.002 0.000 2.505 102 H HA 0.205 4.751 4.556 -0.016 0.000 0.289 102 H C 1.366 176.698 175.328 0.007 0.000 1.052 102 H CA 0.395 56.441 56.048 -0.003 0.000 1.156 102 H CB 0.711 30.467 29.762 -0.011 0.000 1.507 102 H HN 0.233 nan 8.280 nan 0.000 0.548 103 A N 1.269 124.138 122.820 0.082 0.000 1.903 103 A HA -0.234 4.076 4.320 -0.016 0.000 0.219 103 A C 1.955 179.575 177.584 0.061 0.000 1.191 103 A CA 2.050 54.130 52.037 0.071 0.000 0.638 103 A CB -0.171 18.860 19.000 0.052 0.000 0.823 103 A HN 0.240 nan 8.150 nan 0.000 0.451 104 D N -0.363 120.063 120.400 0.043 0.000 2.104 104 D HA -0.142 4.489 4.640 -0.016 0.000 0.194 104 D C 1.953 178.271 176.300 0.029 0.000 0.994 104 D CA 1.669 55.687 54.000 0.030 0.000 0.830 104 D CB -0.520 40.289 40.800 0.015 0.000 0.959 104 D HN 0.703 nan 8.370 nan 0.000 0.452 105 E N 0.308 120.535 120.200 0.045 0.000 2.051 105 E HA -0.121 4.220 4.350 -0.016 0.000 0.192 105 E C 2.408 179.031 176.600 0.040 0.000 0.991 105 E CA 0.522 56.944 56.400 0.037 0.000 0.799 105 E CB -0.174 29.564 29.700 0.064 0.000 0.748 105 E HN 0.228 nan 8.360 nan 0.000 0.449 106 L N 0.665 121.927 121.223 0.064 0.000 2.042 106 L HA -0.226 4.104 4.340 -0.016 0.000 0.210 106 L C 2.581 179.494 176.870 0.071 0.000 1.076 106 L CA 1.125 56.008 54.840 0.072 0.000 0.749 106 L CB -0.503 41.608 42.059 0.086 0.000 0.893 106 L HN 0.175 nan 8.230 nan 0.000 0.432 107 A N -0.384 122.474 122.820 0.062 0.000 1.858 107 A HA -0.161 4.150 4.320 -0.016 0.000 0.216 107 A C 2.325 179.933 177.584 0.040 0.000 1.190 107 A CA 1.922 53.993 52.037 0.057 0.000 0.617 107 A CB -0.913 18.117 19.000 0.049 0.000 0.827 107 A HN 0.181 nan 8.150 nan 0.000 0.443 108 V N -0.180 119.744 119.914 0.017 0.000 2.295 108 V HA -0.333 3.778 4.120 -0.016 0.000 0.246 108 V C 2.595 178.695 176.094 0.010 0.000 1.049 108 V CA 2.362 64.656 62.300 -0.010 0.000 1.024 108 V CB -0.722 31.070 31.823 -0.052 0.000 0.648 108 V HN 0.703 nan 8.190 nan 0.000 0.447 109 M N -0.018 119.598 119.600 0.026 0.000 2.065 109 M HA -0.270 4.201 4.480 -0.016 0.000 0.259 109 M C 2.303 178.673 176.300 0.116 0.000 1.069 109 M CA 2.554 57.888 55.300 0.058 0.000 1.110 109 M CB -0.257 32.384 32.600 0.068 0.000 1.328 109 M HN 0.427 nan 8.290 nan 0.000 0.405 110 E N -0.750 119.519 120.200 0.114 0.000 2.150 110 E HA -0.232 4.108 4.350 -0.016 0.000 0.193 110 E C 2.109 178.766 176.600 0.094 0.000 0.985 110 E CA 1.415 57.894 56.400 0.131 0.000 0.814 110 E CB -0.230 29.549 29.700 0.132 0.000 0.752 110 E HN 0.717 nan 8.360 nan 0.000 0.466 111 C N 0.225 119.560 119.300 0.059 0.000 2.436 111 C HA -0.083 4.367 4.460 -0.016 0.000 0.277 111 C C 2.488 177.491 174.990 0.023 0.000 1.241 111 C CA 0.732 59.764 59.018 0.023 0.000 1.721 111 C CB -1.141 26.609 27.740 0.017 0.000 2.043 111 C HN 0.523 nan 8.230 nan 0.000 0.472 112 L N 0.584 121.833 121.223 0.043 0.000 2.046 112 L HA -0.112 4.218 4.340 -0.016 0.000 0.208 112 L C 2.458 179.376 176.870 0.079 0.000 1.077 112 L CA 2.180 57.050 54.840 0.050 0.000 0.747 112 L CB -0.808 41.278 42.059 0.045 0.000 0.896 112 L HN 0.405 nan 8.230 nan 0.000 0.432 113 D N -0.272 120.214 120.400 0.143 0.000 2.162 113 D HA -0.066 4.565 4.640 -0.016 0.000 0.203 113 D C 1.777 178.142 176.300 0.108 0.000 0.967 113 D CA 1.276 55.391 54.000 0.190 0.000 0.840 113 D CB 0.314 41.293 40.800 0.298 0.000 0.972 113 D HN 0.232 nan 8.370 nan 0.000 0.482 114 A N -1.388 121.487 122.820 0.093 0.000 2.431 114 A HA 0.539 4.850 4.320 -0.016 0.000 0.239 114 A C 1.629 179.207 177.584 -0.010 0.000 1.230 114 A CA 0.796 52.887 52.037 0.090 0.000 0.928 114 A CB 0.185 19.297 19.000 0.187 0.000 1.006 114 A HN 0.276 nan 8.150 nan 0.000 0.520 115 G N -0.785 107.975 108.800 -0.068 0.000 2.162 115 G HA2 -0.244 3.706 3.960 -0.016 0.000 0.260 115 G HA3 -0.244 3.706 3.960 -0.016 0.000 0.260 115 G C 0.129 174.922 174.900 -0.178 0.000 0.976 115 G CA 0.445 45.455 45.100 -0.149 0.000 0.655 115 G HN 0.488 nan 8.290 nan 0.000 0.533 116 Q N 0.102 119.787 119.800 -0.192 0.000 2.306 116 Q HA 0.497 4.827 4.340 -0.016 0.000 0.241 116 Q C 1.127 177.031 176.000 -0.159 0.000 0.948 116 Q CA -0.043 55.588 55.803 -0.287 0.000 0.886 116 Q CB 1.604 30.043 28.738 -0.499 0.000 1.227 116 Q HN 0.963 nan 8.270 nan 0.000 0.457 117 V N 0.487 120.320 119.914 -0.135 0.000 2.599 117 V HA -0.072 4.039 4.120 -0.016 0.000 0.300 117 V C 1.489 177.571 176.094 -0.020 0.000 1.034 117 V CA -0.341 61.928 62.300 -0.051 0.000 1.115 117 V CB -0.123 31.680 31.823 -0.034 0.000 0.934 117 V HN 0.791 nan 8.190 nan 0.000 0.485 118 L N 4.668 125.900 121.223 0.016 0.000 2.021 118 L HA -0.212 4.118 4.340 -0.016 0.000 0.215 118 L C 2.895 179.788 176.870 0.039 0.000 1.074 118 L CA 2.810 57.668 54.840 0.031 0.000 0.760 118 L CB -0.828 41.260 42.059 0.047 0.000 0.889 118 L HN 0.986 nan 8.230 nan 0.000 0.433 119 R N -1.006 119.520 120.500 0.044 0.000 2.105 119 R HA -0.169 4.161 4.340 -0.016 0.000 0.239 119 R C 2.014 178.352 176.300 0.064 0.000 1.135 119 R CA 1.816 57.947 56.100 0.052 0.000 0.967 119 R CB -0.858 29.471 30.300 0.049 0.000 0.861 119 R HN 0.328 nan 8.270 nan 0.000 0.442 120 I N 1.545 122.152 120.570 0.062 0.000 2.252 120 I HA -0.150 4.011 4.170 -0.016 0.000 0.245 120 I C 2.456 178.643 176.117 0.118 0.000 1.102 120 I CA 0.906 62.267 61.300 0.101 0.000 1.385 120 I CB -0.721 37.337 38.000 0.097 0.000 1.064 120 I HN 0.046 nan 8.210 nan 0.000 0.414 121 V N 1.014 120.973 119.914 0.076 0.000 2.515 121 V HA -0.233 3.878 4.120 -0.016 0.000 0.250 121 V C 2.700 178.851 176.094 0.094 0.000 1.058 121 V CA 1.553 63.908 62.300 0.092 0.000 1.064 121 V CB -0.827 31.029 31.823 0.056 0.000 0.675 121 V HN 0.309 nan 8.190 nan 0.000 0.461 122 R N 1.389 121.935 120.500 0.076 0.000 2.081 122 R HA -0.058 4.272 4.340 -0.016 0.000 0.235 122 R C 2.141 178.488 176.300 0.079 0.000 1.131 122 R CA 1.877 58.019 56.100 0.072 0.000 0.960 122 R CB -0.952 29.384 30.300 0.060 0.000 0.856 122 R HN 0.423 nan 8.270 nan 0.000 0.436 123 A N 0.328 123.198 122.820 0.084 0.000 1.972 123 A HA -0.133 4.177 4.320 -0.016 0.000 0.219 123 A C 1.933 179.569 177.584 0.086 0.000 1.169 123 A CA 1.256 53.342 52.037 0.082 0.000 0.635 123 A CB -0.388 18.664 19.000 0.087 0.000 0.810 123 A HN 0.409 nan 8.150 nan 0.000 0.446 124 Q N -0.374 119.490 119.800 0.107 0.000 2.167 124 Q HA -0.076 4.254 4.340 -0.016 0.000 0.202 124 Q C 2.223 178.285 176.000 0.103 0.000 0.970 124 Q CA 1.382 57.250 55.803 0.107 0.000 0.855 124 Q CB -0.415 28.418 28.738 0.158 0.000 0.911 124 Q HN 0.523 nan 8.270 nan 0.000 0.438 125 V N 1.148 121.125 119.914 0.105 0.000 2.427 125 V HA -0.226 3.885 4.120 -0.016 0.000 0.248 125 V C 2.385 178.543 176.094 0.107 0.000 1.051 125 V CA 1.678 64.043 62.300 0.108 0.000 1.048 125 V CB -0.942 30.939 31.823 0.096 0.000 0.666 125 V HN 0.300 nan 8.190 nan 0.000 0.456 126 A N -0.256 122.619 122.820 0.091 0.000 1.902 126 A HA -0.189 4.121 4.320 -0.016 0.000 0.217 126 A C 2.362 180.002 177.584 0.093 0.000 1.181 126 A CA 1.379 53.468 52.037 0.087 0.000 0.623 126 A CB -0.435 18.607 19.000 0.071 0.000 0.818 126 A HN 0.371 nan 8.150 nan 0.000 0.443 127 R N -0.410 120.136 120.500 0.077 0.000 2.092 127 R HA -0.045 4.285 4.340 -0.016 0.000 0.231 127 R C 2.408 178.772 176.300 0.106 0.000 1.119 127 R CA 1.323 57.458 56.100 0.058 0.000 0.970 127 R CB -1.012 29.291 30.300 0.005 0.000 0.864 127 R HN 0.538 nan 8.270 nan 0.000 0.440 128 A N 1.039 123.941 122.820 0.138 0.000 1.902 128 A HA -0.077 4.234 4.320 -0.016 0.000 0.217 128 A C 2.380 180.146 177.584 0.304 0.000 1.181 128 A CA 1.800 53.962 52.037 0.208 0.000 0.623 128 A CB -0.560 18.564 19.000 0.207 0.000 0.818 128 A HN 0.335 nan 8.150 nan 0.000 0.443 129 A N -0.292 122.676 122.820 0.246 0.000 1.902 129 A HA -0.196 4.114 4.320 -0.016 0.000 0.217 129 A C 2.030 179.784 177.584 0.284 0.000 1.181 129 A CA 1.842 54.038 52.037 0.265 0.000 0.623 129 A CB -0.591 18.507 19.000 0.163 0.000 0.818 129 A HN 0.686 nan 8.150 nan 0.000 0.443 130 E N -0.034 120.290 120.200 0.208 0.000 2.153 130 E HA -0.242 4.099 4.350 -0.016 0.000 0.194 130 E C 1.612 178.357 176.600 0.242 0.000 0.988 130 E CA 1.278 57.794 56.400 0.192 0.000 0.811 130 E CB -0.158 29.610 29.700 0.113 0.000 0.746 130 E HN 0.556 nan 8.360 nan 0.000 0.466 131 N N -0.048 118.794 118.700 0.236 0.000 2.104 131 N HA -0.163 4.568 4.740 -0.016 0.000 0.190 131 N C 1.526 177.162 175.510 0.212 0.000 1.024 131 N CA 1.213 54.410 53.050 0.245 0.000 0.853 131 N CB -0.445 38.137 38.487 0.158 0.000 1.008 131 N HN 0.228 nan 8.380 nan 0.000 0.424 132 F N 1.018 121.117 119.950 0.248 0.000 2.163 132 F HA 0.055 4.574 4.527 -0.014 0.000 0.297 132 F C 2.382 178.302 175.800 0.200 0.000 1.094 132 F CA 0.845 58.965 58.000 0.200 0.000 1.290 132 F CB -0.470 38.604 39.000 0.125 0.000 1.017 132 F HN -0.004 nan 8.300 nan 0.000 0.483 133 A N -0.238 122.803 122.820 0.367 0.000 1.933 133 A HA -0.211 4.099 4.320 -0.016 0.000 0.218 133 A C 2.028 179.770 177.584 0.262 0.000 1.175 133 A CA 1.377 53.574 52.037 0.268 0.000 0.628 133 A CB -1.232 17.901 19.000 0.222 0.000 0.814 133 A HN 0.398 nan 8.150 nan 0.000 0.444 134 F N -0.600 119.416 119.950 0.109 0.000 2.039 134 F HA -0.149 4.367 4.527 -0.018 0.000 0.294 134 F C 2.077 177.909 175.800 0.053 0.000 1.130 134 F CA 1.656 59.673 58.000 0.029 0.000 1.189 134 F CB -0.690 38.239 39.000 -0.117 0.000 0.983 134 F HN 0.288 nan 8.300 nan 0.000 0.471 135 Y N 0.195 120.501 120.300 0.010 0.000 2.497 135 Y HA -0.020 4.519 4.550 -0.019 0.000 0.292 135 Y C 2.474 178.368 175.900 -0.010 0.000 1.137 135 Y CA 0.633 58.641 58.100 -0.154 0.000 1.285 135 Y CB -0.814 37.462 38.460 -0.307 0.000 0.991 135 Y HN 0.214 nan 8.280 nan 0.000 0.556 136 A N 0.200 123.128 122.820 0.180 0.000 1.978 136 A HA -0.175 4.135 4.320 -0.016 0.000 0.220 136 A C 1.944 179.593 177.584 0.109 0.000 1.170 136 A CA 1.632 53.762 52.037 0.155 0.000 0.636 136 A CB -0.273 18.825 19.000 0.164 0.000 0.810 136 A HN 0.288 nan 8.150 nan 0.000 0.448 137 E N -1.425 118.819 120.200 0.074 0.000 2.481 137 E HA -0.045 4.295 4.350 -0.016 0.000 0.195 137 E C 0.760 177.338 176.600 -0.037 0.000 1.047 137 E CA 0.589 56.981 56.400 -0.013 0.000 0.867 137 E CB -0.206 29.429 29.700 -0.109 0.000 0.858 137 E HN 0.849 nan 8.360 nan 0.000 0.513 138 Y N -0.030 120.294 120.300 0.040 0.000 2.497 138 Y HA 0.243 4.777 4.550 -0.027 0.000 0.265 138 Y C 2.204 178.280 175.900 0.294 0.000 1.111 138 Y CA 0.253 58.477 58.100 0.207 0.000 1.288 138 Y CB -0.141 38.476 38.460 0.260 0.000 1.082 138 Y HN 0.003 nan 8.280 nan 0.000 0.536 139 A N 0.627 123.631 122.820 0.307 0.000 1.892 139 A HA -0.259 4.052 4.320 -0.016 0.000 0.218 139 A C 1.869 179.511 177.584 0.097 0.000 1.188 139 A CA 2.116 54.283 52.037 0.217 0.000 0.631 139 A CB -0.553 18.506 19.000 0.099 0.000 0.822 139 A HN 0.502 nan 8.150 nan 0.000 0.447 140 E N -1.248 118.927 120.200 -0.042 0.000 2.516 140 E HA -0.073 4.268 4.350 -0.016 0.000 0.199 140 E C 0.630 177.010 176.600 -0.367 0.000 1.069 140 E CA 0.405 56.671 56.400 -0.222 0.000 0.876 140 E CB -0.041 29.465 29.700 -0.325 0.000 0.843 140 E HN 0.740 nan 8.360 nan 0.000 0.530 141 H N -1.674 117.415 119.070 0.032 0.000 2.893 141 H HA 0.290 4.843 4.556 -0.006 0.000 0.270 141 H C 1.548 176.891 175.328 0.025 0.000 1.095 141 H CA 0.394 56.446 56.048 0.008 0.000 1.186 141 H CB 0.753 30.497 29.762 -0.030 0.000 1.562 141 H HN 0.120 nan 8.280 nan 0.000 0.536 142 A N 0.815 123.718 122.820 0.138 0.000 2.125 142 A HA -0.098 4.213 4.320 -0.016 0.000 0.219 142 A C 2.103 179.676 177.584 -0.018 0.000 1.156 142 A CA 1.058 53.117 52.037 0.036 0.000 0.671 142 A CB -0.376 18.713 19.000 0.149 0.000 0.794 142 A HN 0.231 nan 8.150 nan 0.000 0.459 143 M N -0.555 119.054 119.600 0.014 0.000 2.414 143 M HA 0.102 4.573 4.480 -0.016 0.000 0.251 143 M C -0.245 176.072 176.300 0.029 0.000 1.116 143 M CA 0.054 55.363 55.300 0.014 0.000 1.056 143 M CB 0.252 32.861 32.600 0.014 0.000 1.388 143 M HN 0.291 nan 8.290 nan 0.000 0.487 144 E N 1.556 121.778 120.200 0.037 0.000 2.384 144 E HA 0.056 4.396 4.350 -0.016 0.000 0.266 144 E C -0.432 176.189 176.600 0.034 0.000 1.012 144 E CA 0.320 56.746 56.400 0.043 0.000 0.901 144 E CB 0.803 30.543 29.700 0.065 0.000 0.967 144 E HN 0.101 nan 8.360 nan 0.000 0.435 145 D N 0.947 121.373 120.400 0.043 0.000 4.725 145 D HA 0.297 4.927 4.640 -0.016 0.000 0.263 145 D C -0.881 175.431 176.300 0.021 0.000 1.787 145 D CA -0.384 53.642 54.000 0.044 0.000 1.071 145 D CB 0.858 41.708 40.800 0.083 0.000 1.722 145 D HN 0.278 nan 8.370 nan 0.000 0.635 146 R N -0.944 119.579 120.500 0.038 0.000 2.905 146 R HA 0.739 5.070 4.340 -0.016 0.000 0.260 146 R C -0.962 175.274 176.300 -0.107 0.000 1.086 146 R CA -0.818 55.213 56.100 -0.115 0.000 0.978 146 R CB 1.836 31.946 30.300 -0.317 0.000 1.215 146 R HN 0.418 nan 8.270 nan 0.000 0.480 147 T N -1.524 112.847 114.554 -0.305 0.000 2.863 147 T HA 0.613 4.954 4.350 -0.016 0.000 0.285 147 T C -0.645 173.818 174.700 -0.395 0.000 1.009 147 T CA -0.628 61.399 62.100 -0.121 0.000 0.989 147 T CB 0.795 69.651 68.868 -0.021 0.000 1.004 147 T HN 0.385 nan 8.240 nan 0.000 0.455 148 F N 2.004 122.055 119.950 0.167 0.000 2.622 148 F HA 0.394 4.916 4.527 -0.008 0.000 0.338 148 F C -2.617 173.308 175.800 0.207 0.000 1.334 148 F CA -2.182 55.894 58.000 0.126 0.000 1.179 148 F CB 1.076 40.103 39.000 0.045 0.000 1.471 148 F HN 0.360 nan 8.300 nan 0.000 0.576 149 P HA 0.149 nan 4.420 nan 0.000 0.271 149 P C -0.511 176.954 177.300 0.275 0.000 1.218 149 P CA -0.128 63.140 63.100 0.279 0.000 0.780 149 P CB 1.381 33.180 31.700 0.165 0.000 0.901 150 V N 3.726 123.834 119.914 0.323 0.000 2.305 150 V HA 0.177 4.288 4.120 -0.016 0.000 0.275 150 V C 0.101 176.333 176.094 0.231 0.000 1.020 150 V CA -0.237 62.228 62.300 0.275 0.000 0.811 150 V CB 0.166 32.197 31.823 0.347 0.000 1.031 150 V HN 0.720 nan 8.190 nan 0.000 0.439 151 D N 3.199 123.692 120.400 0.156 0.000 3.452 151 D HA -0.243 4.387 4.640 -0.016 0.000 0.164 151 D C 1.014 177.379 176.300 0.108 0.000 1.074 151 D CA 1.197 55.267 54.000 0.117 0.000 1.069 151 D CB -0.136 40.731 40.800 0.113 0.000 0.527 151 D HN 0.516 nan 8.370 nan 0.000 0.558 152 R N 0.866 121.418 120.500 0.086 0.000 2.468 152 R HA 0.143 4.473 4.340 -0.016 0.000 0.280 152 R C 0.538 176.857 176.300 0.032 0.000 0.963 152 R CA 0.179 56.310 56.100 0.052 0.000 1.083 152 R CB 0.289 30.607 30.300 0.030 0.000 1.200 152 R HN 0.386 nan 8.270 nan 0.000 0.541 153 D N -0.621 119.828 120.400 0.080 0.000 2.323 153 D HA 0.011 4.641 4.640 -0.016 0.000 0.218 153 D C 0.130 176.323 176.300 -0.179 0.000 0.973 153 D CA 0.874 54.875 54.000 0.001 0.000 0.890 153 D CB 0.361 41.263 40.800 0.170 0.000 1.011 153 D HN 0.010 nan 8.370 nan 0.000 0.499 154 W N 0.237 121.578 121.300 0.069 0.000 3.031 154 W HA 0.529 5.178 4.660 -0.018 0.000 0.337 154 W C -1.147 175.415 176.519 0.072 0.000 1.187 154 W CA -0.880 56.485 57.345 0.033 0.000 1.166 154 W CB 1.415 30.921 29.460 0.076 0.000 1.437 154 W HN -0.323 nan 8.180 nan 0.000 0.551 155 L N 2.799 124.177 121.223 0.258 0.000 2.404 155 L HA 0.582 4.912 4.340 -0.016 0.000 0.272 155 L C -2.010 174.984 176.870 0.207 0.000 0.980 155 L CA -1.032 53.961 54.840 0.255 0.000 0.836 155 L CB 0.500 42.667 42.059 0.181 0.000 1.238 155 L HN 0.367 nan 8.230 nan 0.000 0.408 156 Y N 5.303 125.788 120.300 0.307 0.000 2.393 156 Y HA 0.664 5.204 4.550 -0.017 0.000 0.341 156 Y C -0.674 175.434 175.900 0.347 0.000 0.988 156 Y CA -0.406 57.842 58.100 0.247 0.000 1.078 156 Y CB 1.754 40.325 38.460 0.184 0.000 1.203 156 Y HN 0.606 nan 8.280 nan 0.000 0.453 157 Y N -0.787 119.703 120.300 0.316 0.000 2.562 157 Y HA 0.844 5.381 4.550 -0.022 0.000 0.345 157 Y C -0.909 175.123 175.900 0.219 0.000 1.045 157 Y CA -1.448 56.795 58.100 0.239 0.000 1.028 157 Y CB 1.404 39.940 38.460 0.125 0.000 1.297 157 Y HN 0.535 nan 8.280 nan 0.000 0.463 158 T N 0.768 115.535 114.554 0.354 0.000 2.887 158 T HA 0.808 5.149 4.350 -0.016 0.000 0.288 158 T C -0.636 174.199 174.700 0.227 0.000 1.021 158 T CA -0.343 61.885 62.100 0.214 0.000 1.000 158 T CB 1.362 70.372 68.868 0.237 0.000 1.034 158 T HN 1.535 nan 8.240 nan 0.000 0.467 159 V N -0.289 119.714 119.914 0.148 0.000 3.160 159 V HA 0.830 4.940 4.120 -0.016 0.000 0.310 159 V C -1.044 175.090 176.094 0.067 0.000 1.181 159 V CA -1.597 60.779 62.300 0.126 0.000 1.047 159 V CB 1.936 33.854 31.823 0.159 0.000 1.068 159 V HN 1.067 nan 8.190 nan 0.000 0.441 160 R N 0.446 120.972 120.500 0.044 0.000 2.670 160 R HA 0.888 5.219 4.340 -0.016 0.000 0.289 160 R C -1.083 175.229 176.300 0.020 0.000 0.965 160 R CA -0.628 55.482 56.100 0.017 0.000 0.899 160 R CB 2.269 32.559 30.300 -0.018 0.000 1.173 160 R HN 1.047 nan 8.270 nan 0.000 0.456 161 V N -0.461 119.469 119.914 0.026 0.000 2.962 161 V HA 0.608 4.719 4.120 -0.016 0.000 0.313 161 V C -2.711 173.432 176.094 0.081 0.000 1.099 161 V CA -3.205 59.121 62.300 0.044 0.000 0.971 161 V CB 2.033 33.884 31.823 0.048 0.000 1.028 161 V HN 0.546 nan 8.190 nan 0.000 0.430 162 P HA 0.168 nan 4.420 nan 0.000 0.262 162 P C 0.624 178.102 177.300 0.298 0.000 1.182 162 P CA 0.822 64.069 63.100 0.244 0.000 0.761 162 P CB 0.970 32.829 31.700 0.266 0.000 0.795 163 A N 3.581 126.513 122.820 0.188 0.000 1.970 163 A HA 0.416 4.727 4.320 -0.016 0.000 0.216 163 A C 1.059 178.603 177.584 -0.067 0.000 1.170 163 A CA 1.572 53.635 52.037 0.043 0.000 0.645 163 A CB -0.867 18.072 19.000 -0.102 0.000 0.816 163 A HN 0.707 nan 8.150 nan 0.000 0.447 164 G N -2.632 106.061 108.800 -0.179 0.000 2.351 164 G HA2 0.304 4.255 3.960 -0.016 0.000 0.353 164 G HA3 0.304 4.255 3.960 -0.016 0.000 0.353 164 G C -3.499 171.100 174.900 -0.500 0.000 1.358 164 G CA -0.663 43.925 45.100 -0.853 0.000 0.995 164 G HN -0.013 nan 8.290 nan 0.000 0.611 165 P HA 0.310 nan 4.420 nan 0.000 0.264 165 P C -0.110 177.145 177.300 -0.075 0.000 1.179 165 P CA -0.054 62.937 63.100 -0.182 0.000 0.763 165 P CB 0.796 32.400 31.700 -0.161 0.000 0.806 166 V N 3.545 123.471 119.914 0.021 0.000 2.448 166 V HA 0.550 4.661 4.120 -0.016 0.000 0.295 166 V C 0.795 176.928 176.094 0.066 0.000 1.025 166 V CA -0.539 61.818 62.300 0.095 0.000 0.859 166 V CB 1.688 33.659 31.823 0.248 0.000 0.988 166 V HN 0.671 nan 8.190 nan 0.000 0.431 167 G N 5.056 113.893 108.800 0.061 0.000 2.327 167 G HA2 0.633 4.584 3.960 -0.016 0.000 0.302 167 G HA3 0.633 4.584 3.960 -0.016 0.000 0.302 167 G C -0.546 174.397 174.900 0.072 0.000 1.113 167 G CA -0.345 44.775 45.100 0.032 0.000 0.921 167 G HN 0.655 nan 8.290 nan 0.000 0.425 168 I N 3.518 124.128 120.570 0.065 0.000 2.328 168 I HA 0.304 4.465 4.170 -0.016 0.000 0.287 168 I C -0.266 175.893 176.117 0.070 0.000 1.012 168 I CA -0.423 60.931 61.300 0.090 0.000 1.195 168 I CB 1.414 39.488 38.000 0.123 0.000 1.350 168 I HN 0.238 nan 8.210 nan 0.000 0.464 169 I N 6.386 126.991 120.570 0.058 0.000 2.355 169 I HA 0.313 4.474 4.170 -0.016 0.000 0.288 169 I C 0.326 176.470 176.117 0.045 0.000 0.999 169 I CA -0.302 61.025 61.300 0.044 0.000 1.163 169 I CB 1.600 39.614 38.000 0.023 0.000 1.316 169 I HN 0.544 nan 8.210 nan 0.000 0.454 170 T N 3.909 118.498 114.554 0.059 0.000 2.942 170 T HA 0.657 4.998 4.350 -0.016 0.000 0.289 170 T C -2.667 172.048 174.700 0.026 0.000 1.044 170 T CA -2.092 60.040 62.100 0.055 0.000 1.023 170 T CB 2.096 71.022 68.868 0.098 0.000 1.123 170 T HN 0.252 nan 8.240 nan 0.000 0.512 171 P HA 0.214 nan 4.420 nan 0.000 0.280 171 P C 0.783 178.078 177.300 -0.010 0.000 1.272 171 P CA -0.877 62.145 63.100 -0.130 0.000 0.819 171 P CB 1.012 32.538 31.700 -0.289 0.000 1.122 172 W N 1.802 123.181 121.300 0.131 0.000 2.905 172 W HA -0.034 4.618 4.660 -0.014 0.000 0.251 172 W C 1.051 177.709 176.519 0.231 0.000 1.305 172 W CA 0.404 57.868 57.345 0.198 0.000 1.465 172 W CB -1.466 28.165 29.460 0.284 0.000 1.122 172 W HN 0.272 nan 8.180 nan 0.000 0.659 173 N N 3.016 121.782 118.700 0.112 0.000 2.171 173 N HA -0.079 4.652 4.740 -0.016 0.000 0.184 173 N C 0.721 176.483 175.510 0.420 0.000 1.021 173 N CA 1.654 54.910 53.050 0.343 0.000 0.854 173 N CB -0.747 37.800 38.487 0.102 0.000 0.994 173 N HN 0.066 nan 8.380 nan 0.000 0.426 174 A N 0.518 123.510 122.820 0.286 0.000 3.317 174 A HA 0.509 4.819 4.320 -0.016 0.000 0.307 174 A C -1.990 175.710 177.584 0.192 0.000 1.003 174 A CA -1.178 51.032 52.037 0.288 0.000 0.882 174 A CB 1.037 20.164 19.000 0.212 0.000 1.136 174 A HN -0.007 nan 8.150 nan 0.000 0.488 175 P HA -0.241 nan 4.420 nan 0.000 0.216 175 P C 1.702 179.108 177.300 0.176 0.000 1.167 175 P CA 1.107 64.321 63.100 0.190 0.000 0.914 175 P CB 0.274 32.096 31.700 0.204 0.000 0.793 176 L N -1.638 119.689 121.223 0.174 0.000 2.005 176 L HA -0.102 4.229 4.340 -0.016 0.000 0.207 176 L C 2.526 179.495 176.870 0.166 0.000 1.072 176 L CA 1.880 56.822 54.840 0.169 0.000 0.744 176 L CB -1.187 40.966 42.059 0.157 0.000 0.895 176 L HN -0.117 nan 8.230 nan 0.000 0.433 177 M N -1.353 118.330 119.600 0.139 0.000 2.086 177 M HA -0.228 4.243 4.480 -0.016 0.000 0.261 177 M C 2.014 178.375 176.300 0.101 0.000 1.067 177 M CA 1.917 57.275 55.300 0.097 0.000 1.116 177 M CB -0.131 32.486 32.600 0.028 0.000 1.348 177 M HN 0.313 nan 8.290 nan 0.000 0.407 178 L N -0.385 120.894 121.223 0.095 0.000 2.291 178 L HA -0.097 4.234 4.340 -0.016 0.000 0.214 178 L C 2.632 179.623 176.870 0.202 0.000 1.120 178 L CA 1.110 56.024 54.840 0.123 0.000 0.799 178 L CB -0.686 41.415 42.059 0.070 0.000 0.925 178 L HN 0.488 nan 8.230 nan 0.000 0.446 179 S N -1.166 114.645 115.700 0.185 0.000 2.388 179 S HA -0.135 4.325 4.470 -0.016 0.000 0.223 179 S C 2.071 176.780 174.600 0.181 0.000 1.034 179 S CA 0.979 59.294 58.200 0.191 0.000 0.963 179 S CB -0.776 62.546 63.200 0.203 0.000 0.827 179 S HN 0.490 nan 8.310 nan 0.000 0.481 180 T N -2.111 112.552 114.554 0.181 0.000 2.962 180 T HA -0.093 4.247 4.350 -0.016 0.000 0.270 180 T C 1.525 176.217 174.700 -0.014 0.000 1.088 180 T CA 0.692 62.840 62.100 0.079 0.000 1.127 180 T CB -0.999 67.985 68.868 0.193 0.000 0.883 180 T HN 0.666 nan 8.240 nan 0.000 0.493 181 W N 2.152 123.407 121.300 -0.075 0.000 2.392 181 W HA -0.131 4.519 4.660 -0.017 0.000 0.279 181 W C 1.769 178.237 176.519 -0.084 0.000 1.225 181 W CA 0.485 57.794 57.345 -0.058 0.000 1.233 181 W CB 0.073 29.517 29.460 -0.026 0.000 1.122 181 W HN 0.185 nan 8.180 nan 0.000 0.561 182 R N -0.406 120.054 120.500 -0.066 0.000 2.167 182 R HA 0.077 4.408 4.340 -0.016 0.000 0.201 182 R C 2.056 178.226 176.300 -0.216 0.000 1.024 182 R CA 0.588 56.604 56.100 -0.140 0.000 1.053 182 R CB -0.955 29.390 30.300 0.074 0.000 0.987 182 R HN 0.308 nan 8.270 nan 0.000 0.493 183 I N 1.447 121.946 120.570 -0.117 0.000 2.179 183 I HA -0.240 3.921 4.170 -0.016 0.000 0.242 183 I C 2.584 178.530 176.117 -0.286 0.000 1.088 183 I CA 1.497 62.755 61.300 -0.070 0.000 1.357 183 I CB -0.509 37.568 38.000 0.129 0.000 1.051 183 I HN 0.058 nan 8.210 nan 0.000 0.409 184 A N 1.700 124.153 122.820 -0.611 0.000 1.865 184 A HA -0.142 4.169 4.320 -0.016 0.000 0.217 184 A C 0.201 177.309 177.584 -0.793 0.000 1.191 184 A CA 2.057 53.628 52.037 -0.777 0.000 0.623 184 A CB -2.076 16.356 19.000 -0.947 0.000 0.826 184 A HN 0.302 nan 8.150 nan 0.000 0.444 185 P HA -0.105 nan 4.420 nan 0.000 0.217 185 P C 1.648 178.115 177.300 -1.388 0.000 1.151 185 P CA 1.898 63.917 63.100 -1.801 0.000 0.828 185 P CB -0.206 30.308 31.700 -1.977 0.000 0.788 186 A N 0.583 122.764 122.820 -1.066 0.000 1.892 186 A HA -0.176 4.134 4.320 -0.016 0.000 0.218 186 A C 2.482 179.984 177.584 -0.137 0.000 1.188 186 A CA 1.754 53.466 52.037 -0.543 0.000 0.631 186 A CB -1.678 17.216 19.000 -0.176 0.000 0.822 186 A HN 0.131 nan 8.150 nan 0.000 0.447 187 L N -1.086 120.093 121.223 -0.073 0.000 2.056 187 L HA -0.145 4.186 4.340 -0.016 0.000 0.207 187 L C 3.113 180.118 176.870 0.225 0.000 1.078 187 L CA 0.962 55.956 54.840 0.258 0.000 0.749 187 L CB -0.599 41.617 42.059 0.261 0.000 0.901 187 L HN 0.444 nan 8.230 nan 0.000 0.433 188 A N 0.004 122.753 122.820 -0.117 0.000 1.940 188 A HA -0.179 4.132 4.320 -0.016 0.000 0.219 188 A C 1.933 179.503 177.584 -0.024 0.000 1.176 188 A CA 1.395 53.343 52.037 -0.150 0.000 0.631 188 A CB -0.830 17.936 19.000 -0.392 0.000 0.814 188 A HN 0.445 nan 8.150 nan 0.000 0.446 189 F N -0.677 119.276 119.950 0.006 0.000 2.773 189 F HA 0.312 4.834 4.527 -0.008 0.000 0.304 189 F C 1.760 177.593 175.800 0.055 0.000 1.129 189 F CA 0.216 58.232 58.000 0.027 0.000 1.378 189 F CB 0.133 39.147 39.000 0.024 0.000 1.095 189 F HN 0.407 nan 8.300 nan 0.000 0.565 190 G N 0.626 109.543 108.800 0.196 0.000 2.132 190 G HA2 -0.253 3.698 3.960 -0.016 0.000 0.234 190 G HA3 -0.253 3.698 3.960 -0.016 0.000 0.234 190 G C -0.237 174.916 174.900 0.422 0.000 0.989 190 G CA -0.481 44.661 45.100 0.070 0.000 0.676 190 G HN 0.316 nan 8.290 nan 0.000 0.522 191 N N 0.584 119.627 118.700 0.572 0.000 2.472 191 N HA 0.641 5.372 4.740 -0.016 0.000 0.289 191 N C 0.588 176.403 175.510 0.507 0.000 1.156 191 N CA 0.422 53.844 53.050 0.620 0.000 0.940 191 N CB 1.433 40.152 38.487 0.386 0.000 1.200 191 N HN 0.460 nan 8.380 nan 0.000 0.511 192 T N -2.417 112.359 114.554 0.369 0.000 2.912 192 T HA 0.690 5.031 4.350 -0.016 0.000 0.280 192 T C 0.082 174.806 174.700 0.039 0.000 0.989 192 T CA -0.597 61.553 62.100 0.082 0.000 0.995 192 T CB 0.953 69.871 68.868 0.082 0.000 1.077 192 T HN 0.120 nan 8.240 nan 0.000 0.531 193 V N 0.424 120.318 119.914 -0.033 0.000 2.925 193 V HA 0.638 4.749 4.120 -0.016 0.000 0.311 193 V C -0.863 175.111 176.094 -0.201 0.000 1.104 193 V CA -0.873 61.402 62.300 -0.042 0.000 0.954 193 V CB 2.353 34.229 31.823 0.088 0.000 1.022 193 V HN 0.889 nan 8.190 nan 0.000 0.427 194 V N 4.579 124.387 119.914 -0.176 0.000 2.419 194 V HA 0.414 4.525 4.120 -0.016 0.000 0.287 194 V C -0.668 175.325 176.094 -0.168 0.000 1.017 194 V CA -0.383 61.775 62.300 -0.238 0.000 0.844 194 V CB 1.526 33.244 31.823 -0.175 0.000 1.011 194 V HN 0.675 nan 8.190 nan 0.000 0.429 195 L N 5.263 126.346 121.223 -0.234 0.000 2.312 195 L HA 0.677 5.007 4.340 -0.016 0.000 0.281 195 L C -0.137 176.728 176.870 -0.008 0.000 1.070 195 L CA 0.354 55.162 54.840 -0.053 0.000 0.805 195 L CB 1.000 43.090 42.059 0.052 0.000 1.174 195 L HN 0.415 nan 8.230 nan 0.000 0.434 196 K N 7.067 127.489 120.400 0.037 0.000 2.579 196 K HA 0.476 4.787 4.320 -0.016 0.000 0.225 196 K C -2.827 173.821 176.600 0.081 0.000 0.992 196 K CA -2.038 54.280 56.287 0.051 0.000 1.018 196 K CB 1.274 33.788 32.500 0.022 0.000 1.249 196 K HN 0.418 nan 8.250 nan 0.000 0.489 197 P HA 0.169 nan 4.420 nan 0.000 0.276 197 P C -0.438 176.942 177.300 0.134 0.000 1.244 197 P CA -0.526 62.656 63.100 0.137 0.000 0.801 197 P CB 0.818 32.620 31.700 0.170 0.000 1.006 198 A N 2.571 125.478 122.820 0.145 0.000 2.565 198 A HA -0.012 4.298 4.320 -0.016 0.000 0.237 198 A C 1.619 179.321 177.584 0.196 0.000 1.053 198 A CA -0.058 52.074 52.037 0.159 0.000 0.755 198 A CB -0.243 18.913 19.000 0.260 0.000 0.980 198 A HN 0.675 nan 8.150 nan 0.000 0.506 199 E N 1.945 122.219 120.200 0.122 0.000 2.268 199 E HA -0.175 4.166 4.350 -0.016 0.000 0.195 199 E C 0.476 177.321 176.600 0.409 0.000 0.995 199 E CA 0.797 57.315 56.400 0.197 0.000 0.836 199 E CB -0.153 29.535 29.700 -0.020 0.000 0.763 199 E HN 0.854 nan 8.360 nan 0.000 0.491 200 W N 2.381 123.780 121.300 0.165 0.000 3.077 200 W HA 0.116 4.767 4.660 -0.016 0.000 0.245 200 W C 0.583 177.151 176.519 0.080 0.000 1.316 200 W CA 0.705 58.101 57.345 0.085 0.000 1.537 200 W CB -0.193 29.194 29.460 -0.122 0.000 1.131 200 W HN 0.099 nan 8.180 nan 0.000 0.695 201 S N -1.641 114.240 115.700 0.301 0.000 2.730 201 S HA 0.154 4.615 4.470 -0.016 0.000 0.150 201 S C -1.545 173.094 174.600 0.066 0.000 1.139 201 S CA -0.708 57.582 58.200 0.149 0.000 1.155 201 S CB 0.915 64.275 63.200 0.266 0.000 1.682 201 S HN -0.133 nan 8.310 nan 0.000 0.452 202 P HA 0.028 nan 4.420 nan 0.000 0.222 202 P C 1.241 178.515 177.300 -0.042 0.000 1.153 202 P CA 0.440 63.499 63.100 -0.067 0.000 0.798 202 P CB -0.229 31.418 31.700 -0.089 0.000 0.796 203 F N 1.148 121.164 119.950 0.109 0.000 2.065 203 F HA -0.204 4.313 4.527 -0.016 0.000 0.298 203 F C 2.513 178.359 175.800 0.077 0.000 1.112 203 F CA 1.622 59.661 58.000 0.065 0.000 1.212 203 F CB -1.928 37.095 39.000 0.039 0.000 0.975 203 F HN -0.083 nan 8.300 nan 0.000 0.476 204 T N -0.007 114.710 114.554 0.271 0.000 2.778 204 T HA -0.247 4.093 4.350 -0.016 0.000 0.269 204 T C 2.113 176.919 174.700 0.176 0.000 1.050 204 T CA 1.206 63.423 62.100 0.195 0.000 1.137 204 T CB -0.568 68.408 68.868 0.180 0.000 0.860 204 T HN 0.381 nan 8.240 nan 0.000 0.468 205 A N 1.082 124.020 122.820 0.197 0.000 1.898 205 A HA -0.097 4.214 4.320 -0.016 0.000 0.216 205 A C 2.581 180.310 177.584 0.242 0.000 1.181 205 A CA 1.924 54.093 52.037 0.220 0.000 0.620 205 A CB -1.174 17.964 19.000 0.230 0.000 0.819 205 A HN 0.439 nan 8.150 nan 0.000 0.442 206 T N -0.449 114.251 114.554 0.243 0.000 2.788 206 T HA -0.120 4.220 4.350 -0.016 0.000 0.268 206 T C 2.056 176.880 174.700 0.206 0.000 1.044 206 T CA 1.847 64.120 62.100 0.287 0.000 1.139 206 T CB -0.150 68.855 68.868 0.228 0.000 0.867 206 T HN 0.498 nan 8.240 nan 0.000 0.454 207 K N 1.200 121.670 120.400 0.117 0.000 2.057 207 K HA 0.018 4.328 4.320 -0.016 0.000 0.206 207 K C 2.005 178.601 176.600 -0.006 0.000 1.050 207 K CA 0.920 57.220 56.287 0.021 0.000 0.935 207 K CB -0.811 31.701 32.500 0.020 0.000 0.715 207 K HN 0.219 nan 8.250 nan 0.000 0.439 208 L N 0.499 121.740 121.223 0.030 0.000 2.046 208 L HA -0.021 4.309 4.340 -0.016 0.000 0.208 208 L C 2.077 178.857 176.870 -0.151 0.000 1.077 208 L CA 2.223 57.031 54.840 -0.053 0.000 0.747 208 L CB -1.083 40.979 42.059 0.004 0.000 0.896 208 L HN 0.227 nan 8.230 nan 0.000 0.432 209 A N -0.796 122.020 122.820 -0.007 0.000 1.933 209 A HA -0.230 4.081 4.320 -0.016 0.000 0.218 209 A C 2.138 179.609 177.584 -0.188 0.000 1.175 209 A CA 1.799 53.762 52.037 -0.124 0.000 0.628 209 A CB -0.628 18.423 19.000 0.084 0.000 0.814 209 A HN 0.634 nan 8.150 nan 0.000 0.444 210 E N -0.301 119.979 120.200 0.132 0.000 2.058 210 E HA -0.185 4.156 4.350 -0.016 0.000 0.194 210 E C 1.905 178.441 176.600 -0.106 0.000 0.997 210 E CA 1.372 57.834 56.400 0.104 0.000 0.801 210 E CB -0.334 29.336 29.700 -0.049 0.000 0.746 210 E HN 0.717 nan 8.360 nan 0.000 0.450 211 I N 0.614 121.070 120.570 -0.190 0.000 2.179 211 I HA -0.267 3.894 4.170 -0.016 0.000 0.242 211 I C 2.187 178.171 176.117 -0.221 0.000 1.088 211 I CA 0.726 61.899 61.300 -0.211 0.000 1.357 211 I CB -0.126 37.747 38.000 -0.211 0.000 1.051 211 I HN 0.093 nan 8.210 nan 0.000 0.409 212 L N 0.774 121.796 121.223 -0.335 0.000 2.191 212 L HA -0.200 4.130 4.340 -0.016 0.000 0.212 212 L C 2.403 179.113 176.870 -0.268 0.000 1.103 212 L CA 1.691 56.304 54.840 -0.378 0.000 0.769 212 L CB -0.764 40.930 42.059 -0.608 0.000 0.908 212 L HN 0.180 nan 8.230 nan 0.000 0.438 213 K N -0.321 119.913 120.400 -0.276 0.000 2.155 213 K HA -0.186 4.125 4.320 -0.016 0.000 0.203 213 K C 2.046 178.632 176.600 -0.023 0.000 1.052 213 K CA 1.077 57.281 56.287 -0.138 0.000 0.948 213 K CB 0.045 32.480 32.500 -0.108 0.000 0.728 213 K HN 0.337 nan 8.250 nan 0.000 0.448 214 E N -0.145 120.034 120.200 -0.035 0.000 2.204 214 E HA -0.112 4.228 4.350 -0.016 0.000 0.194 214 E C 1.306 177.923 176.600 0.028 0.000 0.989 214 E CA 0.744 57.153 56.400 0.015 0.000 0.824 214 E CB 0.027 29.739 29.700 0.020 0.000 0.756 214 E HN 0.423 nan 8.360 nan 0.000 0.477 215 A N 0.848 123.669 122.820 0.002 0.000 2.208 215 A HA -0.048 4.262 4.320 -0.016 0.000 0.209 215 A C 0.679 178.354 177.584 0.151 0.000 1.161 215 A CA 0.879 52.950 52.037 0.057 0.000 0.782 215 A CB -0.014 18.994 19.000 0.013 0.000 0.816 215 A HN 0.440 nan 8.150 nan 0.000 0.477 216 D N -1.642 118.816 120.400 0.097 0.000 2.835 216 D HA -0.138 4.492 4.640 -0.016 0.000 0.230 216 D C -0.324 176.056 176.300 0.133 0.000 1.130 216 D CA 0.383 54.465 54.000 0.138 0.000 0.738 216 D CB -1.999 38.908 40.800 0.178 0.000 1.090 216 D HN 0.442 nan 8.370 nan 0.000 0.433 217 L N -0.278 120.907 121.223 -0.064 0.000 2.483 217 L HA 0.254 4.585 4.340 -0.016 0.000 0.276 217 L C -1.260 175.499 176.870 -0.183 0.000 1.213 217 L CA -1.200 53.427 54.840 -0.355 0.000 0.843 217 L CB 0.110 41.922 42.059 -0.412 0.000 1.107 217 L HN 0.054 nan 8.230 nan 0.000 0.487 218 P HA 0.076 nan 4.420 nan 0.000 0.268 218 P C -2.452 174.810 177.300 -0.063 0.000 1.208 218 P CA -0.783 62.285 63.100 -0.053 0.000 0.777 218 P CB -0.022 31.687 31.700 0.016 0.000 0.875 219 P HA 0.065 nan 4.420 nan 0.000 0.264 219 P C 0.989 178.261 177.300 -0.046 0.000 1.193 219 P CA 1.175 64.266 63.100 -0.014 0.000 0.763 219 P CB 0.132 31.819 31.700 -0.021 0.000 0.810 220 G N 1.360 110.127 108.800 -0.056 0.000 2.268 220 G HA2 -0.315 3.636 3.960 -0.016 0.000 0.240 220 G HA3 -0.315 3.636 3.960 -0.016 0.000 0.240 220 G C 1.056 175.892 174.900 -0.105 0.000 1.010 220 G CA 0.248 45.301 45.100 -0.078 0.000 0.618 220 G HN 0.395 nan 8.290 nan 0.000 0.516 221 V N -0.298 119.511 119.914 -0.175 0.000 2.343 221 V HA 0.216 4.327 4.120 -0.016 0.000 0.247 221 V C 1.177 177.148 176.094 -0.206 0.000 1.051 221 V CA 2.206 64.284 62.300 -0.369 0.000 1.036 221 V CB -0.276 31.058 31.823 -0.814 0.000 0.654 221 V HN 0.558 nan 8.190 nan 0.000 0.451 222 F N 1.206 121.027 119.950 -0.215 0.000 2.507 222 F HA 0.531 5.048 4.527 -0.017 0.000 0.328 222 F C -0.320 175.505 175.800 0.042 0.000 1.136 222 F CA -0.861 57.071 58.000 -0.114 0.000 0.930 222 F CB 0.983 39.889 39.000 -0.156 0.000 1.166 222 F HN 0.004 nan 8.300 nan 0.000 0.436 223 N N 5.940 124.205 118.700 -0.725 0.000 2.240 223 N HA 0.583 5.314 4.740 -0.016 0.000 0.302 223 N C -2.092 173.028 175.510 -0.651 0.000 1.106 223 N CA -0.686 52.090 53.050 -0.456 0.000 0.778 223 N CB 2.913 41.233 38.487 -0.279 0.000 1.431 223 N HN 0.608 nan 8.380 nan 0.000 0.479 224 L N 0.924 121.999 121.223 -0.247 0.000 2.410 224 L HA 0.602 4.933 4.340 -0.016 0.000 0.270 224 L C -1.628 175.275 176.870 0.055 0.000 0.983 224 L CA -0.630 54.157 54.840 -0.088 0.000 0.822 224 L CB 1.865 43.999 42.059 0.125 0.000 1.285 224 L HN 0.266 nan 8.230 nan 0.000 0.409 225 V N 4.863 124.809 119.914 0.054 0.000 2.447 225 V HA 0.480 4.591 4.120 -0.016 0.000 0.292 225 V C -0.413 175.811 176.094 0.217 0.000 1.021 225 V CA -0.642 61.700 62.300 0.071 0.000 0.850 225 V CB 1.368 33.105 31.823 -0.144 0.000 1.005 225 V HN 0.756 nan 8.190 nan 0.000 0.426 226 Q N 2.386 122.483 119.800 0.496 0.000 2.306 226 Q HA 0.774 5.104 4.340 -0.016 0.000 0.241 226 Q C 0.466 176.659 176.000 0.320 0.000 0.948 226 Q CA 0.199 56.221 55.803 0.366 0.000 0.886 226 Q CB 2.141 31.062 28.738 0.305 0.000 1.227 226 Q HN 1.080 nan 8.270 nan 0.000 0.457 227 G N 0.532 109.427 108.800 0.158 0.000 2.352 227 G HA2 0.145 4.095 3.960 -0.016 0.000 0.302 227 G HA3 0.145 4.095 3.960 -0.016 0.000 0.302 227 G C -1.365 173.350 174.900 -0.308 0.000 1.370 227 G CA -1.102 43.867 45.100 -0.219 0.000 0.918 227 G HN 0.378 nan 8.290 nan 0.000 0.610 228 F N 0.748 120.516 119.950 -0.304 0.000 2.450 228 F HA 0.401 4.918 4.527 -0.016 0.000 0.339 228 F C 2.017 177.717 175.800 -0.167 0.000 1.146 228 F CA 0.092 57.920 58.000 -0.287 0.000 1.267 228 F CB 1.212 40.052 39.000 -0.266 0.000 1.178 228 F HN 0.669 nan 8.300 nan 0.000 0.585 229 G N 0.993 109.821 108.800 0.046 0.000 2.446 229 G HA2 -0.231 3.720 3.960 -0.016 0.000 0.217 229 G HA3 -0.231 3.720 3.960 -0.016 0.000 0.217 229 G C 1.177 176.078 174.900 0.003 0.000 1.168 229 G CA 0.568 45.663 45.100 -0.008 0.000 0.771 229 G HN 0.746 nan 8.290 nan 0.000 0.551 230 E N 0.005 120.207 120.200 0.005 0.000 2.347 230 E HA -0.002 4.339 4.350 -0.016 0.000 0.196 230 E C 2.107 178.725 176.600 0.030 0.000 1.008 230 E CA 0.583 56.986 56.400 0.005 0.000 0.852 230 E CB 0.146 29.837 29.700 -0.015 0.000 0.783 230 E HN 0.633 nan 8.360 nan 0.000 0.505 231 E N 0.082 120.316 120.200 0.057 0.000 2.118 231 E HA 0.130 4.471 4.350 -0.016 0.000 0.203 231 E C 1.996 178.602 176.600 0.011 0.000 0.958 231 E CA 0.419 56.844 56.400 0.042 0.000 0.957 231 E CB -0.183 29.555 29.700 0.062 0.000 1.205 231 E HN 0.094 nan 8.360 nan 0.000 0.494 232 A N 1.470 124.285 122.820 -0.008 0.000 1.902 232 A HA -0.094 4.217 4.320 -0.016 0.000 0.217 232 A C 2.292 179.870 177.584 -0.010 0.000 1.181 232 A CA 1.986 54.009 52.037 -0.023 0.000 0.623 232 A CB -1.356 17.625 19.000 -0.032 0.000 0.818 232 A HN 0.367 nan 8.150 nan 0.000 0.443 233 G N -0.395 108.405 108.800 0.000 0.000 2.480 233 G HA2 -0.033 3.918 3.960 -0.016 0.000 0.216 233 G HA3 -0.033 3.918 3.960 -0.016 0.000 0.216 233 G C 1.791 176.694 174.900 0.005 0.000 1.200 233 G CA 1.621 46.722 45.100 0.002 0.000 0.782 233 G HN 0.861 nan 8.290 nan 0.000 0.554 234 A N 0.930 123.754 122.820 0.006 0.000 1.972 234 A HA 0.273 4.584 4.320 -0.016 0.000 0.219 234 A C 2.758 180.351 177.584 0.017 0.000 1.169 234 A CA 2.216 54.259 52.037 0.010 0.000 0.635 234 A CB -0.631 18.373 19.000 0.007 0.000 0.810 234 A HN 0.822 nan 8.150 nan 0.000 0.446 235 A N -0.609 122.220 122.820 0.014 0.000 1.930 235 A HA 0.039 4.350 4.320 -0.016 0.000 0.217 235 A C 2.077 179.687 177.584 0.042 0.000 1.175 235 A CA 1.597 53.648 52.037 0.023 0.000 0.627 235 A CB -0.490 18.518 19.000 0.013 0.000 0.815 235 A HN 0.643 nan 8.150 nan 0.000 0.443 236 L N -0.042 121.195 121.223 0.022 0.000 2.056 236 L HA -0.064 4.266 4.340 -0.016 0.000 0.207 236 L C 2.319 179.211 176.870 0.036 0.000 1.078 236 L CA 1.805 56.655 54.840 0.017 0.000 0.749 236 L CB -0.575 41.478 42.059 -0.011 0.000 0.901 236 L HN 0.136 nan 8.230 nan 0.000 0.433 237 V N 0.145 120.079 119.914 0.032 0.000 2.407 237 V HA -0.237 3.874 4.120 -0.016 0.000 0.248 237 V C 2.679 178.809 176.094 0.061 0.000 1.055 237 V CA 1.550 63.874 62.300 0.041 0.000 1.049 237 V CB -1.291 30.551 31.823 0.032 0.000 0.662 237 V HN 0.594 nan 8.190 nan 0.000 0.455 238 A N -2.085 120.771 122.820 0.061 0.000 2.123 238 A HA -0.046 4.264 4.320 -0.016 0.000 0.214 238 A C 1.314 178.908 177.584 0.017 0.000 1.152 238 A CA 0.180 52.266 52.037 0.083 0.000 0.728 238 A CB -0.522 18.511 19.000 0.055 0.000 0.814 238 A HN 0.577 nan 8.150 nan 0.000 0.464 239 H N 1.381 120.398 119.070 -0.089 0.000 2.929 239 H HA 0.092 4.638 4.556 -0.016 0.000 0.317 239 H C -1.594 173.524 175.328 -0.351 0.000 1.031 239 H CA -1.289 54.653 56.048 -0.178 0.000 1.466 239 H CB 1.251 30.933 29.762 -0.132 0.000 1.482 239 H HN 0.155 nan 8.280 nan 0.000 0.561 240 P HA -0.092 nan 4.420 nan 0.000 0.228 240 P C 1.110 178.293 177.300 -0.195 0.000 1.151 240 P CA 0.784 63.507 63.100 -0.627 0.000 0.770 240 P CB 0.384 31.728 31.700 -0.592 0.000 0.786 241 L N -0.950 120.348 121.223 0.126 0.000 2.607 241 L HA 0.143 4.474 4.340 -0.016 0.000 0.228 241 L C 0.535 177.356 176.870 -0.082 0.000 1.123 241 L CA 0.032 54.840 54.840 -0.055 0.000 0.890 241 L CB 0.377 42.361 42.059 -0.126 0.000 1.103 241 L HN -0.273 nan 8.230 nan 0.000 0.468 242 V N 1.635 121.508 119.914 -0.067 0.000 2.235 242 V HA 0.182 4.293 4.120 -0.016 0.000 0.266 242 V C -1.271 174.783 176.094 -0.066 0.000 1.055 242 V CA -0.864 61.386 62.300 -0.084 0.000 0.844 242 V CB 0.954 32.730 31.823 -0.077 0.000 1.097 242 V HN 0.010 nan 8.190 nan 0.000 0.453 243 P HA -0.059 nan 4.420 nan 0.000 0.220 243 P C 0.223 177.485 177.300 -0.062 0.000 1.148 243 P CA 0.709 63.764 63.100 -0.075 0.000 0.803 243 P CB 0.748 32.384 31.700 -0.107 0.000 0.782 244 L N -0.200 120.984 121.223 -0.066 0.000 2.334 244 L HA 0.416 4.747 4.340 -0.016 0.000 0.276 244 L C 0.056 177.004 176.870 0.131 0.000 1.014 244 L CA -0.486 54.342 54.840 -0.019 0.000 0.815 244 L CB 1.679 43.629 42.059 -0.181 0.000 1.268 244 L HN -0.180 nan 8.230 nan 0.000 0.428 245 L N 1.939 123.322 121.223 0.267 0.000 2.438 245 L HA 0.618 4.949 4.340 -0.016 0.000 0.270 245 L C -0.411 176.559 176.870 0.167 0.000 0.972 245 L CA -0.604 54.349 54.840 0.188 0.000 0.831 245 L CB 2.341 44.462 42.059 0.103 0.000 1.273 245 L HN 0.647 nan 8.230 nan 0.000 0.405 246 T N 0.807 115.418 114.554 0.094 0.000 2.859 246 T HA 0.758 5.099 4.350 -0.016 0.000 0.281 246 T C -0.849 173.848 174.700 -0.006 0.000 1.005 246 T CA -0.701 61.375 62.100 -0.041 0.000 1.025 246 T CB 2.141 71.010 68.868 0.002 0.000 0.977 246 T HN 0.332 nan 8.240 nan 0.000 0.458 247 L N 2.169 123.370 121.223 -0.037 0.000 2.438 247 L HA 0.707 5.038 4.340 -0.016 0.000 0.270 247 L C -0.868 175.996 176.870 -0.011 0.000 0.972 247 L CA -0.182 54.649 54.840 -0.015 0.000 0.831 247 L CB 2.418 44.464 42.059 -0.022 0.000 1.273 247 L HN 0.911 nan 8.230 nan 0.000 0.405 248 T N 4.371 118.925 114.554 -0.001 0.000 2.892 248 T HA 0.867 5.207 4.350 -0.016 0.000 0.311 248 T C -0.053 174.605 174.700 -0.069 0.000 1.033 248 T CA -0.044 62.052 62.100 -0.006 0.000 0.991 248 T CB 1.052 69.946 68.868 0.043 0.000 0.981 248 T HN 1.039 nan 8.240 nan 0.000 0.457 249 G N 2.126 110.864 108.800 -0.103 0.000 2.435 249 G HA2 0.423 4.373 3.960 -0.016 0.000 0.296 249 G HA3 0.423 4.373 3.960 -0.016 0.000 0.296 249 G C -1.591 173.211 174.900 -0.164 0.000 1.240 249 G CA -0.865 44.134 45.100 -0.167 0.000 0.872 249 G HN 0.519 nan 8.290 nan 0.000 0.480 250 E N 0.027 120.134 120.200 -0.154 0.000 2.390 250 E HA 0.309 4.650 4.350 -0.016 0.000 0.261 250 E C 0.971 177.553 176.600 -0.029 0.000 1.076 250 E CA 0.194 56.533 56.400 -0.101 0.000 0.905 250 E CB 1.083 30.741 29.700 -0.071 0.000 0.984 250 E HN 0.351 nan 8.360 nan 0.000 0.427 251 T N 1.694 116.270 114.554 0.036 0.000 2.720 251 T HA -0.200 4.141 4.350 -0.016 0.000 0.268 251 T C 1.643 176.354 174.700 0.018 0.000 1.037 251 T CA 1.567 63.700 62.100 0.055 0.000 1.144 251 T CB -0.076 68.871 68.868 0.133 0.000 0.864 251 T HN 0.450 nan 8.240 nan 0.000 0.444 252 E N 0.967 121.179 120.200 0.022 0.000 2.153 252 E HA -0.092 4.249 4.350 -0.016 0.000 0.194 252 E C 2.190 178.785 176.600 -0.008 0.000 0.988 252 E CA 1.308 57.712 56.400 0.007 0.000 0.811 252 E CB -0.603 29.108 29.700 0.017 0.000 0.746 252 E HN 0.404 nan 8.360 nan 0.000 0.466 253 T N -0.790 113.754 114.554 -0.017 0.000 2.867 253 T HA -0.039 4.301 4.350 -0.016 0.000 0.268 253 T C 1.687 176.374 174.700 -0.022 0.000 1.057 253 T CA 1.041 63.125 62.100 -0.027 0.000 1.136 253 T CB -0.526 68.315 68.868 -0.044 0.000 0.874 253 T HN 0.388 nan 8.240 nan 0.000 0.466 254 G N 1.833 110.621 108.800 -0.019 0.000 2.418 254 G HA2 -0.198 3.752 3.960 -0.016 0.000 0.217 254 G HA3 -0.198 3.752 3.960 -0.016 0.000 0.217 254 G C 1.605 176.496 174.900 -0.014 0.000 1.158 254 G CA 0.613 45.703 45.100 -0.018 0.000 0.771 254 G HN 0.424 nan 8.290 nan 0.000 0.545 255 K N -0.135 120.256 120.400 -0.014 0.000 2.026 255 K HA 0.045 4.356 4.320 -0.016 0.000 0.208 255 K C 2.444 179.037 176.600 -0.012 0.000 1.048 255 K CA 0.969 57.248 56.287 -0.014 0.000 0.929 255 K CB -0.240 32.251 32.500 -0.015 0.000 0.713 255 K HN 0.315 nan 8.250 nan 0.000 0.439 256 I N 0.626 121.188 120.570 -0.013 0.000 2.226 256 I HA -0.265 3.895 4.170 -0.016 0.000 0.245 256 I C 2.211 178.323 176.117 -0.008 0.000 1.100 256 I CA 1.003 62.296 61.300 -0.012 0.000 1.374 256 I CB -0.180 37.811 38.000 -0.015 0.000 1.057 256 I HN -0.056 nan 8.210 nan 0.000 0.413 257 V N 0.358 120.268 119.914 -0.007 0.000 2.358 257 V HA -0.314 3.797 4.120 -0.016 0.000 0.246 257 V C 2.387 178.484 176.094 0.005 0.000 1.047 257 V CA 1.949 64.249 62.300 0.000 0.000 1.035 257 V CB -0.411 31.411 31.823 -0.002 0.000 0.658 257 V HN 0.455 nan 8.190 nan 0.000 0.452 258 M N -0.303 119.297 119.600 0.000 0.000 2.117 258 M HA -0.212 4.258 4.480 -0.016 0.000 0.262 258 M C 2.405 178.705 176.300 0.000 0.000 1.065 258 M CA 1.885 57.187 55.300 0.002 0.000 1.114 258 M CB -0.212 32.385 32.600 -0.004 0.000 1.361 258 M HN 0.160 nan 8.290 nan 0.000 0.408 259 R N 0.147 120.643 120.500 -0.005 0.000 2.091 259 R HA -0.206 4.125 4.340 -0.016 0.000 0.238 259 R C 1.974 178.270 176.300 -0.008 0.000 1.136 259 R CA 2.245 58.339 56.100 -0.010 0.000 0.959 259 R CB -0.534 29.759 30.300 -0.012 0.000 0.856 259 R HN 0.626 nan 8.270 nan 0.000 0.437 260 N N -0.679 118.021 118.700 0.000 0.000 2.216 260 N HA -0.121 4.609 4.740 -0.016 0.000 0.183 260 N C 1.532 177.057 175.510 0.025 0.000 1.017 260 N CA 0.827 53.883 53.050 0.008 0.000 0.861 260 N CB -0.029 38.466 38.487 0.014 0.000 0.986 260 N HN 0.288 nan 8.380 nan 0.000 0.428 261 A N 0.626 123.464 122.820 0.030 0.000 2.067 261 A HA 0.117 4.428 4.320 -0.016 0.000 0.219 261 A C 2.227 179.833 177.584 0.037 0.000 1.158 261 A CA 1.160 53.228 52.037 0.051 0.000 0.661 261 A CB -0.584 18.443 19.000 0.045 0.000 0.801 261 A HN 0.466 nan 8.150 nan 0.000 0.452 262 A N 0.389 123.211 122.820 0.003 0.000 1.978 262 A HA -0.197 4.114 4.320 -0.016 0.000 0.220 262 A C 1.634 179.181 177.584 -0.062 0.000 1.170 262 A CA 1.675 53.700 52.037 -0.020 0.000 0.636 262 A CB -0.483 18.501 19.000 -0.027 0.000 0.810 262 A HN 0.498 nan 8.150 nan 0.000 0.448 263 D N -0.992 119.344 120.400 -0.106 0.000 2.221 263 D HA -0.133 4.497 4.640 -0.016 0.000 0.204 263 D C 0.619 176.633 176.300 -0.477 0.000 0.982 263 D CA 1.395 55.227 54.000 -0.279 0.000 0.857 263 D CB -0.214 40.387 40.800 -0.331 0.000 0.934 263 D HN 0.772 nan 8.370 nan 0.000 0.475 264 H N -0.949 118.107 119.070 -0.023 0.000 2.662 264 H HA 0.342 4.888 4.556 -0.016 0.000 0.268 264 H C 0.221 175.536 175.328 -0.020 0.000 1.152 264 H CA -0.284 55.749 56.048 -0.025 0.000 1.072 264 H CB 0.413 30.160 29.762 -0.025 0.000 1.660 264 H HN -0.152 nan 8.280 nan 0.000 0.584 265 L N 1.493 122.744 121.223 0.046 0.000 3.854 265 L HA -0.312 4.019 4.340 -0.016 0.000 0.460 265 L C -0.276 176.619 176.870 0.041 0.000 1.228 265 L CA 0.656 55.513 54.840 0.028 0.000 0.760 265 L CB -1.182 40.883 42.059 0.011 0.000 1.597 265 L HN 0.367 nan 8.230 nan 0.000 0.852 266 K N 0.696 121.131 120.400 0.058 0.000 2.295 266 K HA 0.311 4.621 4.320 -0.016 0.000 0.270 266 K C 0.603 177.232 176.600 0.048 0.000 1.011 266 K CA -0.604 55.712 56.287 0.049 0.000 0.953 266 K CB 0.784 33.321 32.500 0.063 0.000 0.956 266 K HN 0.177 nan 8.250 nan 0.000 0.477 267 R N 2.410 122.934 120.500 0.040 0.000 2.265 267 R HA 0.191 4.521 4.340 -0.016 0.000 0.314 267 R C -1.069 175.393 176.300 0.271 0.000 1.053 267 R CA -0.533 55.623 56.100 0.093 0.000 0.931 267 R CB 0.390 30.657 30.300 -0.056 0.000 1.024 267 R HN 0.348 nan 8.270 nan 0.000 0.457 268 L N 2.754 124.131 121.223 0.257 0.000 2.346 268 L HA 0.393 4.724 4.340 -0.016 0.000 0.274 268 L C -0.905 175.944 176.870 -0.034 0.000 1.007 268 L CA 0.138 55.072 54.840 0.157 0.000 0.818 268 L CB 2.247 44.337 42.059 0.051 0.000 1.284 268 L HN 0.579 nan 8.230 nan 0.000 0.424 269 S N 5.973 121.441 115.700 -0.388 0.000 2.130 269 S HA 0.567 5.028 4.470 -0.016 0.000 0.165 269 S C -2.768 171.638 174.600 -0.323 0.000 1.677 269 S CA -1.147 56.667 58.200 -0.643 0.000 1.227 269 S CB 0.253 62.503 63.200 -1.583 0.000 1.115 269 S HN 0.534 nan 8.310 nan 0.000 0.452 270 P HA 0.375 nan 4.420 nan 0.000 0.292 270 P C -1.084 176.174 177.300 -0.070 0.000 1.287 270 P CA -0.348 62.695 63.100 -0.095 0.000 0.800 270 P CB 0.999 32.661 31.700 -0.063 0.000 0.945 271 E N 3.191 123.373 120.200 -0.031 0.000 2.149 271 E HA 0.332 4.672 4.350 -0.016 0.000 0.255 271 E C -0.032 176.557 176.600 -0.018 0.000 0.888 271 E CA -0.457 55.941 56.400 -0.004 0.000 0.742 271 E CB 0.929 30.695 29.700 0.111 0.000 1.164 271 E HN 0.404 nan 8.360 nan 0.000 0.422 272 L N 0.536 121.742 121.223 -0.030 0.000 2.902 272 L HA 0.580 4.911 4.340 -0.016 0.000 0.229 272 L C 1.252 178.093 176.870 -0.049 0.000 1.324 272 L CA -1.138 53.684 54.840 -0.029 0.000 1.230 272 L CB -0.014 42.050 42.059 0.010 0.000 2.134 272 L HN 0.446 nan 8.230 nan 0.000 0.567 273 G N -1.397 107.388 108.800 -0.024 0.000 2.716 273 G HA2 0.449 4.399 3.960 -0.016 0.000 0.251 273 G HA3 0.449 4.399 3.960 -0.016 0.000 0.251 273 G C -0.380 174.305 174.900 -0.359 0.000 1.224 273 G CA 0.371 45.356 45.100 -0.192 0.000 0.891 273 G HN 0.809 nan 8.290 nan 0.000 0.561 274 G N -1.525 106.844 108.800 -0.720 0.000 2.677 274 G HA2 0.517 4.468 3.960 -0.016 0.000 0.291 274 G HA3 0.517 4.468 3.960 -0.016 0.000 0.291 274 G C -1.060 173.469 174.900 -0.617 0.000 1.435 274 G CA -0.610 44.144 45.100 -0.576 0.000 0.826 274 G HN 0.633 nan 8.290 nan 0.000 0.491 275 K N 0.522 120.764 120.400 -0.263 0.000 3.439 275 K HA 0.367 4.678 4.320 -0.016 0.000 0.170 275 K C -0.004 176.621 176.600 0.043 0.000 1.035 275 K CA -0.321 55.918 56.287 -0.080 0.000 0.794 275 K CB 0.146 32.684 32.500 0.062 0.000 0.795 275 K HN 0.447 nan 8.250 nan 0.000 0.519 276 S N 3.341 119.077 115.700 0.059 0.000 2.546 276 S HA 0.166 4.627 4.470 -0.016 0.000 0.290 276 S C -2.281 172.427 174.600 0.180 0.000 1.290 276 S CA -0.452 57.833 58.200 0.141 0.000 1.069 276 S CB 0.351 63.688 63.200 0.229 0.000 0.846 276 S HN 0.378 nan 8.310 nan 0.000 0.495 277 P HA 0.543 nan 4.420 nan 0.000 0.290 277 P C -1.675 175.809 177.300 0.307 0.000 1.283 277 P CA -0.984 62.231 63.100 0.193 0.000 0.869 277 P CB 1.435 33.214 31.700 0.131 0.000 1.100 278 A N 3.631 126.615 122.820 0.273 0.000 2.319 278 A HA 0.632 4.942 4.320 -0.016 0.000 0.310 278 A C -0.331 177.431 177.584 0.296 0.000 1.152 278 A CA -0.822 51.439 52.037 0.374 0.000 0.783 278 A CB 0.377 19.553 19.000 0.293 0.000 1.184 278 A HN 0.444 nan 8.150 nan 0.000 0.474 279 L N 3.141 124.557 121.223 0.321 0.000 2.287 279 L HA 0.569 4.899 4.340 -0.016 0.000 0.287 279 L C -0.824 176.210 176.870 0.275 0.000 1.022 279 L CA -0.920 54.041 54.840 0.201 0.000 0.814 279 L CB 1.336 43.423 42.059 0.047 0.000 1.217 279 L HN 0.344 nan 8.230 nan 0.000 0.420 280 V N 3.662 123.640 119.914 0.106 0.000 2.357 280 V HA 0.412 4.522 4.120 -0.016 0.000 0.284 280 V C -0.182 175.844 176.094 -0.113 0.000 1.018 280 V CA -0.304 61.983 62.300 -0.022 0.000 0.841 280 V CB 1.332 32.856 31.823 -0.497 0.000 0.991 280 V HN 0.402 nan 8.190 nan 0.000 0.437 281 F N 2.093 122.129 119.950 0.142 0.000 2.399 281 F HA 0.541 5.058 4.527 -0.016 0.000 0.328 281 F C 1.513 177.318 175.800 0.009 0.000 1.084 281 F CA -0.086 58.002 58.000 0.146 0.000 1.053 281 F CB 1.660 40.765 39.000 0.175 0.000 1.209 281 F HN 0.533 nan 8.300 nan 0.000 0.502 282 A N 0.913 123.840 122.820 0.178 0.000 2.076 282 A HA -0.198 4.113 4.320 -0.016 0.000 0.220 282 A C 1.710 179.352 177.584 0.097 0.000 1.160 282 A CA 1.928 54.013 52.037 0.079 0.000 0.653 282 A CB -0.806 18.236 19.000 0.070 0.000 0.801 282 A HN 0.791 nan 8.150 nan 0.000 0.455 283 D N -0.568 119.920 120.400 0.147 0.000 2.339 283 D HA 0.368 4.999 4.640 -0.016 0.000 0.217 283 D C 0.642 177.003 176.300 0.100 0.000 1.050 283 D CA 0.569 54.630 54.000 0.102 0.000 0.856 283 D CB -0.359 40.489 40.800 0.081 0.000 0.922 283 D HN 0.356 nan 8.370 nan 0.000 0.518 284 A N 0.329 123.225 122.820 0.128 0.000 2.259 284 A HA 0.260 4.571 4.320 -0.016 0.000 0.278 284 A C 0.147 177.795 177.584 0.106 0.000 1.107 284 A CA -0.497 51.623 52.037 0.138 0.000 0.828 284 A CB 0.343 19.472 19.000 0.215 0.000 1.111 284 A HN 0.099 nan 8.150 nan 0.000 0.498 285 D N 0.828 121.303 120.400 0.126 0.000 2.383 285 D HA 0.141 4.771 4.640 -0.016 0.000 0.245 285 D C 0.892 177.254 176.300 0.104 0.000 1.263 285 D CA 0.097 54.160 54.000 0.106 0.000 0.936 285 D CB 0.106 40.975 40.800 0.114 0.000 1.053 285 D HN 0.431 nan 8.370 nan 0.000 0.507 286 L N 2.794 124.070 121.223 0.089 0.000 2.275 286 L HA -0.103 4.228 4.340 -0.016 0.000 0.215 286 L C 2.145 179.114 176.870 0.165 0.000 1.119 286 L CA 0.542 55.458 54.840 0.127 0.000 0.790 286 L CB -0.077 42.072 42.059 0.149 0.000 0.919 286 L HN 0.308 nan 8.230 nan 0.000 0.443 287 E N 0.196 120.455 120.200 0.097 0.000 2.046 287 E HA -0.181 4.159 4.350 -0.016 0.000 0.190 287 E C 2.170 178.800 176.600 0.049 0.000 0.982 287 E CA 0.852 57.288 56.400 0.061 0.000 0.800 287 E CB -0.154 29.570 29.700 0.040 0.000 0.756 287 E HN 0.386 nan 8.360 nan 0.000 0.449 288 R N 0.653 121.193 120.500 0.067 0.000 2.075 288 R HA -0.026 4.305 4.340 -0.016 0.000 0.232 288 R C 2.188 178.510 176.300 0.037 0.000 1.126 288 R CA 1.172 57.317 56.100 0.074 0.000 0.963 288 R CB -0.125 30.254 30.300 0.132 0.000 0.858 288 R HN 0.109 nan 8.270 nan 0.000 0.435 289 A N 1.409 124.222 122.820 -0.011 0.000 1.908 289 A HA -0.188 4.123 4.320 -0.016 0.000 0.218 289 A C 2.040 179.534 177.584 -0.151 0.000 1.181 289 A CA 1.304 53.113 52.037 -0.379 0.000 0.627 289 A CB -0.601 18.184 19.000 -0.358 0.000 0.818 289 A HN 0.385 nan 8.150 nan 0.000 0.445 290 L N 0.113 121.395 121.223 0.099 0.000 1.994 290 L HA -0.164 4.166 4.340 -0.016 0.000 0.208 290 L C 1.721 178.542 176.870 -0.081 0.000 1.071 290 L CA 2.614 57.429 54.840 -0.041 0.000 0.745 290 L CB -0.759 41.218 42.059 -0.136 0.000 0.892 290 L HN 0.332 nan 8.230 nan 0.000 0.431 291 D N -0.059 120.310 120.400 -0.052 0.000 2.104 291 D HA -0.189 4.442 4.640 -0.016 0.000 0.194 291 D C 2.181 178.465 176.300 -0.027 0.000 0.994 291 D CA 1.679 55.652 54.000 -0.045 0.000 0.830 291 D CB -0.307 40.459 40.800 -0.056 0.000 0.959 291 D HN 0.513 nan 8.370 nan 0.000 0.452 292 A N 0.701 123.501 122.820 -0.034 0.000 1.858 292 A HA -0.155 4.155 4.320 -0.016 0.000 0.216 292 A C 2.515 180.114 177.584 0.024 0.000 1.190 292 A CA 2.480 54.542 52.037 0.043 0.000 0.617 292 A CB -1.006 18.110 19.000 0.194 0.000 0.827 292 A HN 0.230 nan 8.150 nan 0.000 0.443 293 V N -2.287 117.559 119.914 -0.113 0.000 2.427 293 V HA -0.145 3.965 4.120 -0.016 0.000 0.248 293 V C 2.156 178.176 176.094 -0.123 0.000 1.051 293 V CA 2.094 64.322 62.300 -0.119 0.000 1.048 293 V CB -1.232 30.537 31.823 -0.090 0.000 0.666 293 V HN 0.197 nan 8.190 nan 0.000 0.456 294 V N 0.225 120.107 119.914 -0.055 0.000 2.307 294 V HA -0.191 3.920 4.120 -0.016 0.000 0.245 294 V C 2.362 178.486 176.094 0.050 0.000 1.045 294 V CA 2.655 64.970 62.300 0.025 0.000 1.024 294 V CB -0.926 30.948 31.823 0.084 0.000 0.651 294 V HN 0.652 nan 8.190 nan 0.000 0.449 295 F N 1.022 120.929 119.950 -0.072 0.000 2.146 295 F HA -0.192 4.325 4.527 -0.016 0.000 0.298 295 F C 2.431 178.168 175.800 -0.104 0.000 1.096 295 F CA 2.038 59.999 58.000 -0.065 0.000 1.275 295 F CB -0.295 38.639 39.000 -0.111 0.000 1.008 295 F HN 0.102 nan 8.300 nan 0.000 0.480 296 Q N 0.230 119.992 119.800 -0.063 0.000 2.364 296 Q HA -0.119 4.211 4.340 -0.016 0.000 0.209 296 Q C 1.675 177.452 176.000 -0.372 0.000 0.977 296 Q CA 1.603 57.259 55.803 -0.245 0.000 0.885 296 Q CB -0.401 28.165 28.738 -0.286 0.000 0.941 296 Q HN 0.632 nan 8.270 nan 0.000 0.464 297 I N -1.971 118.331 120.570 -0.446 0.000 3.445 297 I HA 0.123 4.283 4.170 -0.016 0.000 0.288 297 I C 0.886 176.688 176.117 -0.525 0.000 1.198 297 I CA 0.686 61.661 61.300 -0.542 0.000 1.417 297 I CB 0.121 37.663 38.000 -0.762 0.000 1.205 297 I HN 0.120 nan 8.210 nan 0.000 0.448 298 F N 0.839 120.680 119.950 -0.181 0.000 2.664 298 F HA 0.187 4.705 4.527 -0.015 0.000 0.296 298 F C 1.695 177.374 175.800 -0.201 0.000 1.125 298 F CA 0.159 58.064 58.000 -0.158 0.000 1.444 298 F CB -0.410 38.520 39.000 -0.117 0.000 1.114 298 F HN -0.001 nan 8.300 nan 0.000 0.576 299 S N -0.114 115.447 115.700 -0.232 0.000 2.589 299 S HA 0.016 4.476 4.470 -0.016 0.000 0.265 299 S C 0.231 174.783 174.600 -0.080 0.000 1.342 299 S CA -0.526 57.497 58.200 -0.295 0.000 1.005 299 S CB 0.306 62.953 63.200 -0.922 0.000 0.909 299 S HN 0.374 nan 8.310 nan 0.000 0.555 300 F N 1.166 121.005 119.950 -0.186 0.000 3.091 300 F HA -0.270 4.249 4.527 -0.014 0.000 0.288 300 F C 0.339 176.074 175.800 -0.108 0.000 0.907 300 F CA 0.997 58.921 58.000 -0.127 0.000 1.028 300 F CB -1.981 36.926 39.000 -0.154 0.000 1.022 300 F HN 0.865 nan 8.300 nan 0.000 0.665 301 N N -0.762 117.905 118.700 -0.056 0.000 2.693 301 N HA -0.238 4.493 4.740 -0.016 0.000 0.249 301 N C 1.139 176.650 175.510 0.001 0.000 1.119 301 N CA 2.105 55.135 53.050 -0.035 0.000 0.717 301 N CB -1.608 36.829 38.487 -0.084 0.000 1.071 301 N HN 1.389 nan 8.380 nan 0.000 0.555 302 G N -0.766 108.031 108.800 -0.004 0.000 2.189 302 G HA2 -0.365 3.586 3.960 -0.016 0.000 0.267 302 G HA3 -0.365 3.586 3.960 -0.016 0.000 0.267 302 G C 0.069 174.833 174.900 -0.228 0.000 0.975 302 G CA 0.702 45.766 45.100 -0.061 0.000 0.644 302 G HN 0.613 nan 8.290 nan 0.000 0.537 303 E N -0.088 119.961 120.200 -0.251 0.000 2.364 303 E HA 0.372 4.713 4.350 -0.016 0.000 0.270 303 E C 0.477 176.704 176.600 -0.622 0.000 1.398 303 E CA -0.368 55.554 56.400 -0.797 0.000 1.721 303 E CB 0.365 29.912 29.700 -0.255 0.000 1.525 303 E HN 0.408 nan 8.360 nan 0.000 0.446 304 R N 0.477 120.714 120.500 -0.439 0.000 2.534 304 R HA 0.164 4.494 4.340 -0.016 0.000 0.301 304 R C 0.986 177.316 176.300 0.051 0.000 0.961 304 R CA -0.406 55.578 56.100 -0.194 0.000 0.871 304 R CB 0.462 30.624 30.300 -0.229 0.000 1.170 304 R HN 0.389 nan 8.270 nan 0.000 0.446 305 C N 0.594 120.008 119.300 0.190 0.000 2.422 305 C HA -0.055 4.396 4.460 -0.016 0.000 0.279 305 C C 1.800 176.845 174.990 0.092 0.000 1.305 305 C CA 0.980 60.114 59.018 0.194 0.000 1.757 305 C CB -1.103 26.691 27.740 0.091 0.000 1.962 305 C HN 0.857 nan 8.230 nan 0.000 0.499 306 T N -0.883 113.715 114.554 0.073 0.000 3.188 306 T HA 0.497 4.838 4.350 -0.016 0.000 0.250 306 T C 0.642 175.418 174.700 0.126 0.000 1.077 306 T CA 0.442 62.621 62.100 0.130 0.000 0.967 306 T CB -0.517 68.454 68.868 0.171 0.000 1.006 306 T HN 0.861 nan 8.240 nan 0.000 0.552 307 A N 2.126 124.959 122.820 0.021 0.000 2.498 307 A HA 0.459 4.770 4.320 -0.016 0.000 0.239 307 A C 0.929 178.499 177.584 -0.023 0.000 1.068 307 A CA -0.267 51.732 52.037 -0.063 0.000 0.766 307 A CB -0.021 18.913 19.000 -0.110 0.000 1.003 307 A HN 0.678 nan 8.150 nan 0.000 0.497 308 S N 2.038 117.668 115.700 -0.118 0.000 3.869 308 S HA 0.241 4.702 4.470 -0.016 0.000 0.241 308 S C 0.923 175.474 174.600 -0.081 0.000 1.363 308 S CA -0.032 58.136 58.200 -0.054 0.000 0.894 308 S CB -0.060 63.032 63.200 -0.180 0.000 1.519 308 S HN 1.096 nan 8.310 nan 0.000 0.470 309 S N 1.732 117.406 115.700 -0.043 0.000 2.515 309 S HA 0.088 4.548 4.470 -0.016 0.000 0.231 309 S C 0.665 175.260 174.600 -0.008 0.000 0.987 309 S CA -0.127 58.042 58.200 -0.051 0.000 0.936 309 S CB -0.149 63.030 63.200 -0.034 0.000 0.766 309 S HN 0.674 nan 8.310 nan 0.000 0.528 310 R N 0.578 121.096 120.500 0.029 0.000 2.480 310 R HA 0.540 4.871 4.340 -0.016 0.000 0.306 310 R C -1.755 174.595 176.300 0.084 0.000 0.958 310 R CA -0.724 55.413 56.100 0.062 0.000 0.861 310 R CB 1.634 31.980 30.300 0.077 0.000 1.171 310 R HN 0.205 nan 8.270 nan 0.000 0.445 311 L N 5.248 126.527 121.223 0.093 0.000 2.295 311 L HA 0.409 4.739 4.340 -0.016 0.000 0.281 311 L C -1.386 175.583 176.870 0.165 0.000 1.018 311 L CA -0.274 54.633 54.840 0.111 0.000 0.841 311 L CB 1.091 43.193 42.059 0.072 0.000 1.218 311 L HN 0.545 nan 8.230 nan 0.000 0.424 312 L N 6.121 127.464 121.223 0.200 0.000 2.257 312 L HA 0.585 4.915 4.340 -0.016 0.000 0.290 312 L C -0.715 176.346 176.870 0.317 0.000 1.044 312 L CA -0.561 54.468 54.840 0.314 0.000 0.810 312 L CB 1.518 43.759 42.059 0.302 0.000 1.193 312 L HN 0.343 nan 8.230 nan 0.000 0.425 313 V N 2.809 122.810 119.914 0.146 0.000 2.540 313 V HA 0.229 4.340 4.120 -0.016 0.000 0.302 313 V C 0.119 175.741 176.094 -0.787 0.000 1.035 313 V CA -0.894 61.279 62.300 -0.212 0.000 0.873 313 V CB 1.868 33.602 31.823 -0.147 0.000 0.992 313 V HN 0.684 nan 8.190 nan 0.000 0.428 314 E N 2.740 122.144 120.200 -1.326 0.000 2.465 314 E HA -0.016 4.324 4.350 -0.016 0.000 0.260 314 E C 0.925 177.225 176.600 -0.500 0.000 0.980 314 E CA 0.155 55.730 56.400 -1.376 0.000 0.927 314 E CB 0.642 29.944 29.700 -0.664 0.000 0.934 314 E HN 0.729 nan 8.360 nan 0.000 0.459 315 E N 3.819 123.799 120.200 -0.366 0.000 2.086 315 E HA -0.319 4.021 4.350 -0.016 0.000 0.200 315 E C 1.786 178.367 176.600 -0.032 0.000 1.012 315 E CA 2.117 58.437 56.400 -0.134 0.000 0.812 315 E CB -0.131 29.496 29.700 -0.121 0.000 0.743 315 E HN 0.591 nan 8.360 nan 0.000 0.453 316 K N 1.125 121.499 120.400 -0.044 0.000 2.442 316 K HA -0.145 4.165 4.320 -0.016 0.000 0.199 316 K C 1.770 178.381 176.600 0.019 0.000 1.044 316 K CA 1.739 58.025 56.287 -0.001 0.000 0.941 316 K CB -0.375 32.129 32.500 0.006 0.000 0.759 316 K HN 0.404 nan 8.250 nan 0.000 0.472 317 I N -4.988 115.589 120.570 0.011 0.000 4.338 317 I HA 0.265 4.426 4.170 -0.016 0.000 0.329 317 I C 1.315 177.479 176.117 0.078 0.000 1.378 317 I CA -0.771 60.549 61.300 0.033 0.000 1.170 317 I CB -0.022 37.970 38.000 -0.012 0.000 1.206 317 I HN -0.160 nan 8.210 nan 0.000 0.432 318 F N 2.786 122.703 119.950 -0.055 0.000 2.043 318 F HA -0.222 4.295 4.527 -0.016 0.000 0.297 318 F C 2.415 178.236 175.800 0.036 0.000 1.121 318 F CA 2.310 60.298 58.000 -0.021 0.000 1.199 318 F CB 0.108 39.069 39.000 -0.066 0.000 0.968 318 F HN 0.077 nan 8.300 nan 0.000 0.478 319 E N 0.370 120.732 120.200 0.271 0.000 2.049 319 E HA -0.262 4.078 4.350 -0.016 0.000 0.198 319 E C 1.856 178.481 176.600 0.041 0.000 1.007 319 E CA 1.902 58.399 56.400 0.161 0.000 0.809 319 E CB -0.604 29.178 29.700 0.137 0.000 0.749 319 E HN 0.583 nan 8.360 nan 0.000 0.450 320 D N -1.534 118.896 120.400 0.049 0.000 2.084 320 D HA -0.141 4.490 4.640 -0.016 0.000 0.196 320 D C 1.761 178.061 176.300 0.001 0.000 0.985 320 D CA 0.944 54.959 54.000 0.025 0.000 0.826 320 D CB -0.211 40.618 40.800 0.049 0.000 0.978 320 D HN 0.169 nan 8.370 nan 0.000 0.456 321 F N 0.433 120.309 119.950 -0.124 0.000 2.075 321 F HA -0.133 4.385 4.527 -0.016 0.000 0.297 321 F C 2.127 177.802 175.800 -0.209 0.000 1.113 321 F CA 1.084 58.989 58.000 -0.158 0.000 1.218 321 F CB -0.445 38.448 39.000 -0.177 0.000 0.984 321 F HN -0.109 nan 8.300 nan 0.000 0.472 322 V N 0.301 120.075 119.914 -0.232 0.000 2.407 322 V HA -0.245 3.865 4.120 -0.016 0.000 0.248 322 V C 2.720 178.658 176.094 -0.259 0.000 1.055 322 V CA 1.848 63.936 62.300 -0.352 0.000 1.049 322 V CB -1.669 29.799 31.823 -0.592 0.000 0.662 322 V HN 0.560 nan 8.190 nan 0.000 0.455 323 G N -0.297 108.393 108.800 -0.184 0.000 2.422 323 G HA2 -0.251 3.699 3.960 -0.016 0.000 0.218 323 G HA3 -0.251 3.699 3.960 -0.016 0.000 0.218 323 G C 1.672 176.472 174.900 -0.168 0.000 1.146 323 G CA 0.796 45.819 45.100 -0.128 0.000 0.769 323 G HN 0.476 nan 8.290 nan 0.000 0.547 324 K N -0.199 120.056 120.400 -0.241 0.000 2.155 324 K HA 0.073 4.383 4.320 -0.016 0.000 0.203 324 K C 2.526 178.942 176.600 -0.307 0.000 1.052 324 K CA 0.555 56.681 56.287 -0.268 0.000 0.948 324 K CB -0.054 32.256 32.500 -0.318 0.000 0.728 324 K HN 0.209 nan 8.250 nan 0.000 0.448 325 V N 0.734 120.413 119.914 -0.392 0.000 2.358 325 V HA -0.213 3.897 4.120 -0.016 0.000 0.246 325 V C 2.165 178.179 176.094 -0.133 0.000 1.047 325 V CA 1.395 63.523 62.300 -0.287 0.000 1.035 325 V CB -0.216 31.433 31.823 -0.291 0.000 0.658 325 V HN 0.069 nan 8.190 nan 0.000 0.452 326 V N -0.182 119.653 119.914 -0.133 0.000 2.287 326 V HA -0.221 3.890 4.120 -0.016 0.000 0.248 326 V C 2.611 178.640 176.094 -0.108 0.000 1.053 326 V CA 1.895 64.138 62.300 -0.096 0.000 1.027 326 V CB -0.640 31.130 31.823 -0.088 0.000 0.646 326 V HN 0.529 nan 8.190 nan 0.000 0.447 327 E N -0.120 120.012 120.200 -0.113 0.000 2.106 327 E HA -0.142 4.199 4.350 -0.016 0.000 0.192 327 E C 2.422 178.957 176.600 -0.109 0.000 0.984 327 E CA 0.766 57.104 56.400 -0.102 0.000 0.806 327 E CB -0.332 29.312 29.700 -0.093 0.000 0.750 327 E HN 0.444 nan 8.360 nan 0.000 0.458 328 R N 0.443 120.874 120.500 -0.115 0.000 2.075 328 R HA 0.022 4.353 4.340 -0.016 0.000 0.232 328 R C 2.200 178.419 176.300 -0.134 0.000 1.126 328 R CA 1.141 57.178 56.100 -0.104 0.000 0.963 328 R CB -0.733 29.514 30.300 -0.088 0.000 0.858 328 R HN 0.151 nan 8.270 nan 0.000 0.435 329 A N 1.033 123.756 122.820 -0.163 0.000 1.933 329 A HA -0.159 4.152 4.320 -0.016 0.000 0.218 329 A C 2.262 179.661 177.584 -0.309 0.000 1.175 329 A CA 1.282 53.100 52.037 -0.365 0.000 0.628 329 A CB -0.449 18.318 19.000 -0.390 0.000 0.814 329 A HN 0.205 nan 8.150 nan 0.000 0.444 330 R N -0.532 119.850 120.500 -0.196 0.000 2.096 330 R HA -0.076 4.254 4.340 -0.016 0.000 0.235 330 R C 2.114 178.338 176.300 -0.128 0.000 1.127 330 R CA 1.232 57.242 56.100 -0.150 0.000 0.968 330 R CB -0.280 29.955 30.300 -0.109 0.000 0.861 330 R HN 0.463 nan 8.270 nan 0.000 0.440 331 A N 0.702 123.448 122.820 -0.124 0.000 2.167 331 A HA 0.099 4.409 4.320 -0.016 0.000 0.214 331 A C 0.956 178.464 177.584 -0.127 0.000 1.151 331 A CA 0.015 51.991 52.037 -0.102 0.000 0.735 331 A CB -0.165 18.781 19.000 -0.090 0.000 0.802 331 A HN 0.221 nan 8.150 nan 0.000 0.467 332 I N 1.535 122.005 120.570 -0.168 0.000 2.821 332 I HA -0.077 4.083 4.170 -0.016 0.000 0.294 332 I C 0.376 176.401 176.117 -0.153 0.000 1.210 332 I CA 0.253 61.446 61.300 -0.179 0.000 1.430 332 I CB 0.282 38.130 38.000 -0.252 0.000 1.356 332 I HN 0.261 nan 8.210 nan 0.000 0.563 333 R N 5.618 126.009 120.500 -0.183 0.000 2.248 333 R HA 0.353 4.683 4.340 -0.016 0.000 0.328 333 R C -0.856 175.390 176.300 -0.091 0.000 1.067 333 R CA -0.454 55.535 56.100 -0.185 0.000 0.924 333 R CB 0.766 30.786 30.300 -0.467 0.000 1.013 333 R HN 0.375 nan 8.270 nan 0.000 0.454 334 V N 2.893 122.795 119.914 -0.021 0.000 2.394 334 V HA 0.718 4.829 4.120 -0.016 0.000 0.282 334 V C 0.749 176.838 176.094 -0.008 0.000 1.031 334 V CA -0.254 62.044 62.300 -0.002 0.000 0.881 334 V CB 1.456 33.273 31.823 -0.009 0.000 0.982 334 V HN 1.047 nan 8.190 nan 0.000 0.451 335 G N 2.322 111.134 108.800 0.019 0.000 2.490 335 G HA2 0.272 4.223 3.960 -0.016 0.000 0.308 335 G HA3 0.272 4.223 3.960 -0.016 0.000 0.308 335 G C -1.314 173.670 174.900 0.140 0.000 1.286 335 G CA -0.751 44.339 45.100 -0.017 0.000 0.825 335 G HN 0.654 nan 8.290 nan 0.000 0.479 336 H N 0.847 119.932 119.070 0.026 0.000 2.897 336 H HA 0.179 4.726 4.556 -0.016 0.000 0.347 336 H C -1.448 173.908 175.328 0.046 0.000 1.068 336 H CA -0.684 55.441 56.048 0.129 0.000 1.426 336 H CB 1.919 31.773 29.762 0.155 0.000 1.410 336 H HN 0.012 nan 8.280 nan 0.000 0.597 337 P HA -0.117 nan 4.420 nan 0.000 0.218 337 P C 1.366 178.783 177.300 0.194 0.000 1.148 337 P CA 1.184 64.302 63.100 0.030 0.000 0.822 337 P CB 0.206 31.846 31.700 -0.100 0.000 0.784 338 L N -1.751 119.794 121.223 0.536 0.000 2.591 338 L HA 0.090 4.420 4.340 -0.016 0.000 0.228 338 L C 0.773 177.800 176.870 0.263 0.000 1.133 338 L CA 0.095 55.161 54.840 0.377 0.000 0.880 338 L CB -0.499 41.803 42.059 0.404 0.000 1.033 338 L HN -0.057 nan 8.230 nan 0.000 0.450 339 D N 1.369 121.723 120.400 -0.077 0.000 2.347 339 D HA 0.114 4.744 4.640 -0.016 0.000 0.235 339 D C -1.414 174.806 176.300 -0.134 0.000 1.149 339 D CA -2.397 51.313 54.000 -0.483 0.000 0.850 339 D CB 1.523 41.733 40.800 -0.983 0.000 1.061 339 D HN -0.115 nan 8.370 nan 0.000 0.487 340 P HA -0.145 nan 4.420 nan 0.000 0.222 340 P C 0.592 177.872 177.300 -0.032 0.000 1.142 340 P CA 0.805 63.911 63.100 0.010 0.000 0.788 340 P CB 0.570 32.303 31.700 0.055 0.000 0.767 341 E N -0.516 119.646 120.200 -0.063 0.000 2.385 341 E HA 0.030 4.371 4.350 -0.016 0.000 0.194 341 E C 0.549 177.052 176.600 -0.162 0.000 1.013 341 E CA 0.432 56.767 56.400 -0.107 0.000 0.866 341 E CB -0.604 29.073 29.700 -0.038 0.000 0.832 341 E HN 0.241 nan 8.360 nan 0.000 0.500 342 T N 1.459 115.948 114.554 -0.108 0.000 2.916 342 T HA 0.073 4.413 4.350 -0.016 0.000 0.303 342 T C 1.070 175.723 174.700 -0.079 0.000 1.025 342 T CA 0.349 62.398 62.100 -0.084 0.000 1.142 342 T CB 1.063 69.907 68.868 -0.039 0.000 0.947 342 T HN 0.087 nan 8.240 nan 0.000 0.544 343 E N 1.059 121.209 120.200 -0.082 0.000 2.332 343 E HA 0.178 4.518 4.350 -0.016 0.000 0.202 343 E C -0.169 176.405 176.600 -0.043 0.000 0.877 343 E CA 0.099 56.461 56.400 -0.064 0.000 0.979 343 E CB 0.802 30.451 29.700 -0.086 0.000 0.969 343 E HN 0.255 nan 8.360 nan 0.000 0.495 344 V N 1.359 121.251 119.914 -0.037 0.000 2.483 344 V HA 0.486 4.597 4.120 -0.016 0.000 0.297 344 V C 0.268 176.384 176.094 0.037 0.000 1.027 344 V CA -0.621 61.670 62.300 -0.016 0.000 0.855 344 V CB 1.448 33.256 31.823 -0.026 0.000 0.995 344 V HN 0.232 nan 8.190 nan 0.000 0.424 345 G N 5.709 114.509 108.800 0.000 0.000 2.606 345 G HA2 0.684 4.634 3.960 -0.016 0.000 0.262 345 G HA3 0.684 4.634 3.960 -0.016 0.000 0.262 345 G C -2.753 172.064 174.900 -0.139 0.000 1.394 345 G CA -1.280 43.828 45.100 0.014 0.000 1.044 345 G HN 0.545 nan 8.290 nan 0.000 0.553 346 P HA 0.331 nan 4.420 nan 0.000 0.279 346 P C -0.172 176.905 177.300 -0.371 0.000 1.252 346 P CA -0.431 62.197 63.100 -0.788 0.000 0.811 346 P CB 1.556 32.444 31.700 -1.353 0.000 1.035 347 L N 2.060 123.123 121.223 -0.266 0.000 2.466 347 L HA 0.107 4.438 4.340 -0.016 0.000 0.257 347 L C 2.334 179.068 176.870 -0.226 0.000 1.189 347 L CA -0.535 54.236 54.840 -0.114 0.000 0.813 347 L CB -0.027 42.041 42.059 0.016 0.000 1.118 347 L HN 0.311 nan 8.230 nan 0.000 0.471 348 I N -0.017 120.384 120.570 -0.282 0.000 2.194 348 I HA -0.209 3.952 4.170 -0.016 0.000 0.246 348 I C 0.783 176.539 176.117 -0.601 0.000 1.093 348 I CA 1.796 62.782 61.300 -0.523 0.000 1.355 348 I CB -0.275 37.023 38.000 -1.169 0.000 1.046 348 I HN 0.524 nan 8.210 nan 0.000 0.413 349 H N -0.832 117.769 119.070 -0.782 0.000 3.046 349 H HA 0.249 4.796 4.556 -0.016 0.000 0.361 349 H C -2.335 172.697 175.328 -0.494 0.000 1.235 349 H CA -1.298 54.230 56.048 -0.865 0.000 1.146 349 H CB 2.095 30.726 29.762 -1.885 0.000 1.859 349 H HN -0.252 nan 8.280 nan 0.000 0.548 350 P HA -0.128 nan 4.420 nan 0.000 0.218 350 P C 0.799 178.106 177.300 0.011 0.000 1.148 350 P CA 1.241 64.221 63.100 -0.200 0.000 0.822 350 P CB 0.489 32.041 31.700 -0.248 0.000 0.784 351 E N -1.320 119.030 120.200 0.250 0.000 2.150 351 E HA -0.213 4.128 4.350 -0.016 0.000 0.193 351 E C 2.141 178.866 176.600 0.209 0.000 0.985 351 E CA 0.796 57.334 56.400 0.230 0.000 0.814 351 E CB -0.494 29.382 29.700 0.294 0.000 0.752 351 E HN 0.369 nan 8.360 nan 0.000 0.466 352 H N 0.251 119.343 119.070 0.037 0.000 2.428 352 H HA -0.044 4.502 4.556 -0.016 0.000 0.296 352 H C 1.849 177.236 175.328 0.097 0.000 1.062 352 H CA 0.844 56.960 56.048 0.114 0.000 1.350 352 H CB 0.059 29.823 29.762 0.003 0.000 1.403 352 H HN 0.086 nan 8.280 nan 0.000 0.533 353 L N 0.519 121.723 121.223 -0.031 0.000 2.056 353 L HA -0.102 4.229 4.340 -0.016 0.000 0.207 353 L C 2.412 179.264 176.870 -0.029 0.000 1.078 353 L CA 1.868 56.670 54.840 -0.062 0.000 0.749 353 L CB -0.819 41.208 42.059 -0.053 0.000 0.901 353 L HN 0.410 nan 8.230 nan 0.000 0.433 354 Q N -0.872 118.930 119.800 0.003 0.000 2.124 354 Q HA -0.231 4.099 4.340 -0.016 0.000 0.202 354 Q C 2.433 178.441 176.000 0.013 0.000 0.977 354 Q CA 1.348 57.160 55.803 0.015 0.000 0.850 354 Q CB -0.127 28.629 28.738 0.031 0.000 0.901 354 Q HN 0.445 nan 8.270 nan 0.000 0.429 355 R N -0.304 120.212 120.500 0.027 0.000 2.066 355 R HA -0.097 4.234 4.340 -0.016 0.000 0.232 355 R C 2.185 178.528 176.300 0.072 0.000 1.131 355 R CA 1.383 57.506 56.100 0.039 0.000 0.955 355 R CB -0.202 30.184 30.300 0.143 0.000 0.851 355 R HN 0.210 nan 8.270 nan 0.000 0.432 356 V N 1.552 121.482 119.914 0.027 0.000 2.343 356 V HA -0.244 3.867 4.120 -0.016 0.000 0.247 356 V C 2.428 178.611 176.094 0.148 0.000 1.051 356 V CA 1.524 63.895 62.300 0.118 0.000 1.036 356 V CB -0.397 31.412 31.823 -0.023 0.000 0.654 356 V HN 0.326 nan 8.190 nan 0.000 0.451 357 L N 0.359 121.626 121.223 0.074 0.000 2.191 357 L HA -0.087 4.244 4.340 -0.016 0.000 0.212 357 L C 2.548 179.463 176.870 0.074 0.000 1.103 357 L CA 1.448 56.336 54.840 0.080 0.000 0.769 357 L CB -0.939 41.147 42.059 0.045 0.000 0.908 357 L HN 0.489 nan 8.230 nan 0.000 0.438 358 G N -1.171 107.642 108.800 0.022 0.000 2.408 358 G HA2 -0.275 3.676 3.960 -0.016 0.000 0.217 358 G HA3 -0.275 3.676 3.960 -0.016 0.000 0.217 358 G C 1.336 176.200 174.900 -0.060 0.000 1.150 358 G CA 0.472 45.538 45.100 -0.056 0.000 0.776 358 G HN 0.313 nan 8.290 nan 0.000 0.542 359 Y N 0.117 120.448 120.300 0.051 0.000 2.263 359 Y HA -0.050 4.491 4.550 -0.015 0.000 0.292 359 Y C 3.006 178.936 175.900 0.050 0.000 1.130 359 Y CA 0.496 58.622 58.100 0.043 0.000 1.179 359 Y CB -0.005 38.489 38.460 0.057 0.000 0.998 359 Y HN 0.041 nan 8.280 nan 0.000 0.532 360 V N 0.073 120.152 119.914 0.275 0.000 2.332 360 V HA -0.276 3.835 4.120 -0.016 0.000 0.248 360 V C 2.147 178.394 176.094 0.255 0.000 1.055 360 V CA 1.899 64.402 62.300 0.339 0.000 1.038 360 V CB -0.414 31.591 31.823 0.304 0.000 0.651 360 V HN 0.391 nan 8.190 nan 0.000 0.450 361 E N 0.227 120.518 120.200 0.152 0.000 2.077 361 E HA -0.173 4.168 4.350 -0.016 0.000 0.193 361 E C 2.395 179.032 176.600 0.062 0.000 0.989 361 E CA 1.472 57.934 56.400 0.102 0.000 0.800 361 E CB -0.544 29.190 29.700 0.057 0.000 0.746 361 E HN 0.570 nan 8.360 nan 0.000 0.452 362 A N 1.148 123.991 122.820 0.038 0.000 1.908 362 A HA -0.133 4.177 4.320 -0.016 0.000 0.218 362 A C 2.497 180.063 177.584 -0.030 0.000 1.181 362 A CA 2.105 54.151 52.037 0.014 0.000 0.627 362 A CB -1.139 17.884 19.000 0.037 0.000 0.818 362 A HN 0.347 nan 8.150 nan 0.000 0.445 363 G N -0.371 108.358 108.800 -0.119 0.000 2.418 363 G HA2 -0.235 3.716 3.960 -0.016 0.000 0.217 363 G HA3 -0.235 3.716 3.960 -0.016 0.000 0.217 363 G C 1.677 176.453 174.900 -0.206 0.000 1.158 363 G CA 1.153 46.022 45.100 -0.385 0.000 0.771 363 G HN 0.594 nan 8.290 nan 0.000 0.545 364 K N 0.105 120.521 120.400 0.025 0.000 2.026 364 K HA -0.019 4.292 4.320 -0.016 0.000 0.208 364 K C 2.683 179.329 176.600 0.075 0.000 1.048 364 K CA 0.991 57.372 56.287 0.157 0.000 0.929 364 K CB -0.167 32.453 32.500 0.201 0.000 0.713 364 K HN 0.141 nan 8.250 nan 0.000 0.439 365 R N 1.182 121.710 120.500 0.047 0.000 2.148 365 R HA -0.130 4.201 4.340 -0.016 0.000 0.227 365 R C 1.827 178.143 176.300 0.027 0.000 1.103 365 R CA 1.448 57.570 56.100 0.036 0.000 0.983 365 R CB -0.120 30.197 30.300 0.028 0.000 0.874 365 R HN 0.503 nan 8.270 nan 0.000 0.451 366 E N -0.380 119.826 120.200 0.010 0.000 2.476 366 E HA 0.086 4.427 4.350 -0.016 0.000 0.191 366 E C 0.709 177.323 176.600 0.024 0.000 1.064 366 E CA 0.487 56.898 56.400 0.017 0.000 0.866 366 E CB 0.514 30.218 29.700 0.006 0.000 0.952 366 E HN 0.299 nan 8.360 nan 0.000 0.492 367 G N 0.599 109.416 108.800 0.028 0.000 2.179 367 G HA2 -0.261 3.690 3.960 -0.016 0.000 0.220 367 G HA3 -0.261 3.690 3.960 -0.016 0.000 0.220 367 G C 0.363 175.293 174.900 0.050 0.000 0.990 367 G CA -0.204 44.922 45.100 0.044 0.000 0.646 367 G HN 0.641 nan 8.290 nan 0.000 0.517 368 A N 0.315 123.147 122.820 0.020 0.000 2.425 368 A HA 0.693 5.003 4.320 -0.016 0.000 0.249 368 A C 0.728 178.474 177.584 0.270 0.000 1.084 368 A CA 0.059 52.134 52.037 0.064 0.000 0.781 368 A CB 0.228 19.096 19.000 -0.220 0.000 1.019 368 A HN 0.483 nan 8.150 nan 0.000 0.490 369 R N 1.318 121.993 120.500 0.293 0.000 2.210 369 R HA 0.268 4.598 4.340 -0.016 0.000 0.338 369 R C -0.770 175.693 176.300 0.272 0.000 1.062 369 R CA -0.559 55.689 56.100 0.248 0.000 0.902 369 R CB 0.631 31.027 30.300 0.159 0.000 1.050 369 R HN 0.570 nan 8.270 nan 0.000 0.461 370 L N 5.256 126.559 121.223 0.133 0.000 2.325 370 L HA 0.119 4.449 4.340 -0.016 0.000 0.284 370 L C 0.305 177.084 176.870 -0.152 0.000 1.089 370 L CA 0.502 55.188 54.840 -0.256 0.000 0.836 370 L CB 0.526 42.413 42.059 -0.288 0.000 1.184 370 L HN 0.748 nan 8.230 nan 0.000 0.444 371 L N 5.123 126.247 121.223 -0.165 0.000 2.463 371 L HA 0.317 4.648 4.340 -0.016 0.000 0.219 371 L C 0.214 177.015 176.870 -0.115 0.000 1.088 371 L CA 0.147 54.933 54.840 -0.090 0.000 0.849 371 L CB 0.235 42.268 42.059 -0.044 0.000 1.012 371 L HN 0.511 nan 8.230 nan 0.000 0.468 372 V N -1.038 118.773 119.914 -0.171 0.000 3.177 372 V HA 0.624 4.734 4.120 -0.016 0.000 0.287 372 V C 0.073 176.058 176.094 -0.181 0.000 1.465 372 V CA 0.029 62.239 62.300 -0.150 0.000 1.020 372 V CB 1.384 33.130 31.823 -0.128 0.000 1.152 372 V HN 0.406 nan 8.190 nan 0.000 0.448 373 G N 3.775 112.488 108.800 -0.144 0.000 2.531 373 G HA2 0.311 4.262 3.960 -0.016 0.000 0.274 373 G HA3 0.311 4.262 3.960 -0.016 0.000 0.274 373 G C 1.526 176.351 174.900 -0.124 0.000 1.159 373 G CA 1.063 46.087 45.100 -0.126 0.000 0.969 373 G HN 2.809 nan 8.290 nan 0.000 0.554 374 G N -0.452 108.285 108.800 -0.105 0.000 2.136 374 G HA2 0.283 4.233 3.960 -0.016 0.000 0.242 374 G HA3 0.283 4.233 3.960 -0.016 0.000 0.242 374 G C 0.175 175.074 174.900 -0.002 0.000 0.989 374 G CA 1.918 46.979 45.100 -0.066 0.000 0.682 374 G HN 2.380 nan 8.290 nan 0.000 0.522 375 E N -1.820 118.378 120.200 -0.004 0.000 2.422 375 E HA 0.560 4.901 4.350 -0.016 0.000 0.280 375 E C -0.256 176.351 176.600 0.011 0.000 1.091 375 E CA -1.367 55.039 56.400 0.010 0.000 0.849 375 E CB 0.644 30.344 29.700 0.001 0.000 1.353 375 E HN 0.193 nan 8.360 nan 0.000 0.449 376 R N 0.088 120.599 120.500 0.019 0.000 2.756 376 R HA 0.317 4.647 4.340 -0.016 0.000 0.264 376 R C -0.214 176.099 176.300 0.022 0.000 1.026 376 R CA 0.678 56.796 56.100 0.031 0.000 1.121 376 R CB 0.395 30.714 30.300 0.032 0.000 0.999 376 R HN 0.538 nan 8.270 nan 0.000 0.449 377 A N 2.575 125.421 122.820 0.043 0.000 2.309 377 A HA 0.156 4.467 4.320 -0.016 0.000 0.290 377 A C 0.405 177.979 177.584 -0.017 0.000 1.206 377 A CA -0.419 51.621 52.037 0.006 0.000 0.850 377 A CB 0.579 19.588 19.000 0.016 0.000 1.118 377 A HN 0.817 nan 8.150 nan 0.000 0.523 378 K N 1.009 121.388 120.400 -0.035 0.000 2.128 378 K HA 0.055 4.366 4.320 -0.016 0.000 0.202 378 K C -0.012 176.545 176.600 -0.072 0.000 1.050 378 K CA 1.187 57.450 56.287 -0.041 0.000 0.966 378 K CB 0.144 32.625 32.500 -0.032 0.000 0.759 378 K HN 0.675 nan 8.250 nan 0.000 0.454 379 T N 0.934 115.439 114.554 -0.082 0.000 2.863 379 T HA 0.216 4.557 4.350 -0.016 0.000 0.285 379 T C -0.230 174.401 174.700 -0.115 0.000 1.009 379 T CA -0.887 61.156 62.100 -0.096 0.000 0.989 379 T CB 1.911 70.734 68.868 -0.075 0.000 1.004 379 T HN 0.180 nan 8.240 nan 0.000 0.455 380 S N 1.689 117.311 115.700 -0.131 0.000 2.634 380 S HA 0.312 4.773 4.470 -0.016 0.000 0.261 380 S C 1.131 175.715 174.600 -0.027 0.000 1.271 380 S CA -0.666 57.471 58.200 -0.105 0.000 0.985 380 S CB 0.062 63.201 63.200 -0.103 0.000 0.968 380 S HN 0.617 nan 8.310 nan 0.000 0.568 381 F N 1.404 121.296 119.950 -0.097 0.000 2.202 381 F HA 0.032 4.550 4.527 -0.015 0.000 0.301 381 F C 2.113 177.881 175.800 -0.053 0.000 1.082 381 F CA 1.310 59.267 58.000 -0.073 0.000 1.313 381 F CB -0.182 38.775 39.000 -0.071 0.000 1.024 381 F HN 0.554 nan 8.300 nan 0.000 0.495 382 R N 0.026 120.363 120.500 -0.270 0.000 2.334 382 R HA 0.235 4.566 4.340 -0.016 0.000 0.220 382 R C 1.379 177.553 176.300 -0.209 0.000 0.917 382 R CA 0.559 56.463 56.100 -0.326 0.000 1.073 382 R CB -0.334 29.919 30.300 -0.079 0.000 1.056 382 R HN 0.484 nan 8.270 nan 0.000 0.506 383 G N 1.581 110.276 108.800 -0.175 0.000 2.143 383 G HA2 -0.291 3.659 3.960 -0.016 0.000 0.249 383 G HA3 -0.291 3.659 3.960 -0.016 0.000 0.249 383 G C -0.201 174.649 174.900 -0.083 0.000 0.981 383 G CA -0.085 44.941 45.100 -0.124 0.000 0.665 383 G HN 0.402 nan 8.290 nan 0.000 0.528 384 E N 0.392 120.553 120.200 -0.066 0.000 2.373 384 E HA 0.424 4.764 4.350 -0.016 0.000 0.263 384 E C -0.132 176.430 176.600 -0.063 0.000 1.073 384 E CA -0.357 56.018 56.400 -0.042 0.000 0.894 384 E CB 0.766 30.467 29.700 0.003 0.000 1.008 384 E HN 0.261 nan 8.360 nan 0.000 0.420 385 D N 1.843 122.216 120.400 -0.045 0.000 2.317 385 D HA 0.047 4.678 4.640 -0.016 0.000 0.252 385 D C -0.129 176.136 176.300 -0.059 0.000 1.174 385 D CA 0.039 54.011 54.000 -0.047 0.000 0.866 385 D CB 0.595 41.381 40.800 -0.024 0.000 1.127 385 D HN 0.346 nan 8.370 nan 0.000 0.467 386 L N 2.950 124.112 121.223 -0.102 0.000 2.728 386 L HA 0.083 4.414 4.340 -0.016 0.000 0.238 386 L C 2.042 178.931 176.870 0.031 0.000 1.143 386 L CA -0.058 54.697 54.840 -0.142 0.000 0.937 386 L CB -0.080 41.693 42.059 -0.475 0.000 1.225 386 L HN 0.439 nan 8.230 nan 0.000 0.507 387 S N -0.163 115.550 115.700 0.021 0.000 2.440 387 S HA -0.143 4.318 4.470 -0.016 0.000 0.238 387 S C 1.943 176.576 174.600 0.056 0.000 1.010 387 S CA 0.613 58.837 58.200 0.040 0.000 0.972 387 S CB -0.176 63.033 63.200 0.015 0.000 0.774 387 S HN 0.370 nan 8.310 nan 0.000 0.501 388 R N 1.581 122.123 120.500 0.070 0.000 2.240 388 R HA 0.315 4.645 4.340 -0.016 0.000 0.203 388 R C 1.280 177.621 176.300 0.069 0.000 1.011 388 R CA 0.657 56.792 56.100 0.059 0.000 1.007 388 R CB -1.182 29.153 30.300 0.059 0.000 0.911 388 R HN 0.535 nan 8.270 nan 0.000 0.468 389 G N 0.432 109.333 108.800 0.169 0.000 2.552 389 G HA2 0.179 4.130 3.960 -0.016 0.000 0.318 389 G HA3 0.179 4.130 3.960 -0.016 0.000 0.318 389 G C -0.219 174.678 174.900 -0.004 0.000 1.240 389 G CA -0.630 44.528 45.100 0.096 0.000 1.002 389 G HN 0.063 nan 8.290 nan 0.000 0.493 390 N N 0.303 118.848 118.700 -0.259 0.000 3.209 390 N HA 0.138 4.869 4.740 -0.016 0.000 0.309 390 N C -1.133 174.230 175.510 -0.245 0.000 1.384 390 N CA 0.044 52.964 53.050 -0.216 0.000 1.173 390 N CB 0.333 38.667 38.487 -0.255 0.000 1.460 390 N HN 0.339 nan 8.380 nan 0.000 0.534 391 Y N 0.571 120.839 120.300 -0.052 0.000 2.336 391 Y HA 0.308 4.848 4.550 -0.016 0.000 0.335 391 Y C 0.367 176.247 175.900 -0.032 0.000 1.046 391 Y CA -0.732 57.343 58.100 -0.042 0.000 1.198 391 Y CB 0.930 39.367 38.460 -0.038 0.000 1.182 391 Y HN 0.139 nan 8.280 nan 0.000 0.502 392 L N 4.439 125.723 121.223 0.102 0.000 2.346 392 L HA 0.553 4.884 4.340 -0.016 0.000 0.276 392 L C -1.116 175.778 176.870 0.040 0.000 1.006 392 L CA -0.649 54.226 54.840 0.058 0.000 0.817 392 L CB 1.202 43.285 42.059 0.039 0.000 1.272 392 L HN 0.555 nan 8.230 nan 0.000 0.421 393 L N 5.947 127.174 121.223 0.007 0.000 2.426 393 L HA 0.319 4.650 4.340 -0.016 0.000 0.271 393 L C -1.920 174.901 176.870 -0.081 0.000 1.169 393 L CA -1.644 53.169 54.840 -0.045 0.000 0.836 393 L CB 0.343 42.366 42.059 -0.060 0.000 1.112 393 L HN 0.494 nan 8.230 nan 0.000 0.465 394 P HA 0.007 nan 4.420 nan 0.000 0.262 394 P C -0.931 176.246 177.300 -0.205 0.000 1.182 394 P CA 0.365 63.266 63.100 -0.331 0.000 0.761 394 P CB 0.539 31.742 31.700 -0.829 0.000 0.795 395 T N 2.622 117.187 114.554 0.018 0.000 2.841 395 T HA 0.516 4.857 4.350 -0.016 0.000 0.283 395 T C -0.558 174.210 174.700 0.113 0.000 1.000 395 T CA -0.444 61.659 62.100 0.006 0.000 0.977 395 T CB 1.090 69.964 68.868 0.010 0.000 0.979 395 T HN -0.036 nan 8.240 nan 0.000 0.446 396 V N 3.525 123.415 119.914 -0.040 0.000 2.577 396 V HA 0.603 4.714 4.120 -0.016 0.000 0.303 396 V C -1.120 174.917 176.094 -0.096 0.000 1.042 396 V CA -0.863 61.458 62.300 0.036 0.000 0.872 396 V CB 1.422 33.279 31.823 0.058 0.000 0.998 396 V HN 0.828 nan 8.190 nan 0.000 0.423 397 F N 2.536 122.531 119.950 0.076 0.000 2.556 397 F HA 0.745 5.262 4.527 -0.016 0.000 0.327 397 F C -0.049 175.806 175.800 0.092 0.000 1.059 397 F CA -0.961 57.082 58.000 0.073 0.000 0.953 397 F CB 2.327 41.367 39.000 0.066 0.000 1.227 397 F HN 0.167 nan 8.300 nan 0.000 0.478 398 V N 1.645 121.773 119.914 0.355 0.000 2.409 398 V HA 0.831 4.941 4.120 -0.016 0.000 0.291 398 V C -0.003 176.220 176.094 0.215 0.000 1.020 398 V CA -0.158 62.321 62.300 0.299 0.000 0.848 398 V CB 0.974 32.976 31.823 0.299 0.000 0.990 398 V HN 0.934 nan 8.190 nan 0.000 0.430 399 G N 4.266 113.155 108.800 0.148 0.000 2.871 399 G HA2 0.676 4.626 3.960 -0.016 0.000 0.282 399 G HA3 0.676 4.626 3.960 -0.016 0.000 0.282 399 G C -1.329 173.559 174.900 -0.021 0.000 1.212 399 G CA -0.483 44.636 45.100 0.031 0.000 0.812 399 G HN 0.522 nan 8.290 nan 0.000 0.547 400 E N -0.460 119.662 120.200 -0.131 0.000 2.256 400 E HA 0.274 4.615 4.350 -0.016 0.000 0.267 400 E C 0.048 176.513 176.600 -0.225 0.000 0.892 400 E CA -0.841 55.454 56.400 -0.176 0.000 0.775 400 E CB 2.559 32.103 29.700 -0.259 0.000 1.207 400 E HN 0.394 nan 8.360 nan 0.000 0.420 401 N N 0.615 119.261 118.700 -0.089 0.000 2.364 401 N HA -0.187 4.544 4.740 -0.016 0.000 0.183 401 N C 1.528 177.017 175.510 -0.035 0.000 1.022 401 N CA 1.312 54.343 53.050 -0.031 0.000 0.883 401 N CB -0.023 38.488 38.487 0.040 0.000 0.965 401 N HN 0.532 nan 8.380 nan 0.000 0.438 402 H N -1.992 117.093 119.070 0.024 0.000 2.551 402 H HA 0.260 4.807 4.556 -0.016 0.000 0.266 402 H C 0.414 175.751 175.328 0.016 0.000 0.964 402 H CA -0.121 55.938 56.048 0.019 0.000 1.180 402 H CB -0.295 29.475 29.762 0.014 0.000 1.408 402 H HN 0.102 nan 8.280 nan 0.000 0.563 403 M N 1.109 120.463 119.600 -0.409 0.000 2.245 403 M HA 0.018 4.489 4.480 -0.016 0.000 0.330 403 M C 1.768 178.043 176.300 -0.042 0.000 1.098 403 M CA 0.270 55.451 55.300 -0.198 0.000 1.172 403 M CB 0.956 33.396 32.600 -0.266 0.000 1.467 403 M HN 0.278 nan 8.290 nan 0.000 0.454 404 K N 2.152 122.558 120.400 0.011 0.000 2.097 404 K HA -0.160 4.151 4.320 -0.016 0.000 0.206 404 K C 1.491 178.116 176.600 0.040 0.000 1.049 404 K CA 1.593 57.918 56.287 0.064 0.000 0.933 404 K CB -0.291 32.273 32.500 0.108 0.000 0.717 404 K HN 0.791 nan 8.250 nan 0.000 0.442 405 I N -2.650 117.903 120.570 -0.028 0.000 3.001 405 I HA -0.008 4.153 4.170 -0.016 0.000 0.268 405 I C 1.843 177.914 176.117 -0.077 0.000 1.267 405 I CA 1.049 62.300 61.300 -0.081 0.000 1.472 405 I CB -0.093 37.790 38.000 -0.195 0.000 1.089 405 I HN -0.010 nan 8.210 nan 0.000 0.468 406 A N 0.389 123.177 122.820 -0.054 0.000 2.014 406 A HA 0.100 4.410 4.320 -0.016 0.000 0.210 406 A C 2.257 179.854 177.584 0.021 0.000 1.188 406 A CA 0.249 52.273 52.037 -0.021 0.000 0.731 406 A CB -0.097 18.881 19.000 -0.037 0.000 0.858 406 A HN 0.395 nan 8.150 nan 0.000 0.464 407 Q N 0.439 120.259 119.800 0.032 0.000 2.302 407 Q HA 0.102 4.433 4.340 -0.016 0.000 0.202 407 Q C -0.148 175.930 176.000 0.130 0.000 0.936 407 Q CA 0.658 56.507 55.803 0.077 0.000 0.886 407 Q CB 0.256 29.033 28.738 0.065 0.000 0.986 407 Q HN 0.726 nan 8.270 nan 0.000 0.487 408 E N 1.067 121.311 120.200 0.073 0.000 2.191 408 E HA 0.229 4.570 4.350 -0.016 0.000 0.274 408 E C -0.796 175.742 176.600 -0.103 0.000 0.948 408 E CA -0.383 56.061 56.400 0.073 0.000 0.802 408 E CB 1.597 31.351 29.700 0.091 0.000 1.137 408 E HN 0.032 nan 8.360 nan 0.000 0.397 409 E N 2.796 122.973 120.200 -0.038 0.000 2.299 409 E HA 0.023 4.364 4.350 -0.016 0.000 0.272 409 E C 0.239 176.704 176.600 -0.226 0.000 1.043 409 E CA 0.051 56.361 56.400 -0.150 0.000 0.895 409 E CB 0.511 30.090 29.700 -0.202 0.000 1.011 409 E HN 0.525 nan 8.360 nan 0.000 0.432 410 I N 4.334 124.783 120.570 -0.201 0.000 2.731 410 I HA -0.012 4.148 4.170 -0.016 0.000 0.260 410 I C 0.406 176.672 176.117 0.248 0.000 1.138 410 I CA -0.074 61.129 61.300 -0.162 0.000 1.461 410 I CB 0.179 38.090 38.000 -0.148 0.000 1.128 410 I HN 0.664 nan 8.210 nan 0.000 0.438 411 F N 2.184 122.169 119.950 0.058 0.000 3.039 411 F HA -0.157 4.360 4.527 -0.016 0.000 0.287 411 F C 0.238 176.228 175.800 0.316 0.000 0.956 411 F CA 0.517 58.631 58.000 0.190 0.000 0.971 411 F CB -1.206 37.971 39.000 0.295 0.000 0.943 411 F HN 0.139 nan 8.300 nan 0.000 0.766 412 G N 0.343 109.217 108.800 0.123 0.000 2.682 412 G HA2 0.620 4.571 3.960 -0.016 0.000 0.290 412 G HA3 0.620 4.571 3.960 -0.016 0.000 0.290 412 G C -3.107 171.838 174.900 0.075 0.000 1.425 412 G CA -0.691 44.471 45.100 0.103 0.000 0.807 412 G HN -0.081 nan 8.290 nan 0.000 0.482 413 P HA 0.280 nan 4.420 nan 0.000 0.226 413 P C -0.615 176.866 177.300 0.302 0.000 1.783 413 P CA -0.017 63.227 63.100 0.239 0.000 0.980 413 P CB 0.251 32.105 31.700 0.256 0.000 1.967 414 V N 3.403 123.429 119.914 0.187 0.000 2.483 414 V HA 0.363 4.474 4.120 -0.016 0.000 0.297 414 V C -0.041 176.128 176.094 0.125 0.000 1.027 414 V CA -0.850 61.575 62.300 0.208 0.000 0.855 414 V CB 2.227 34.174 31.823 0.207 0.000 0.995 414 V HN 0.165 nan 8.190 nan 0.000 0.424 415 L N 5.406 126.722 121.223 0.156 0.000 2.342 415 L HA 0.856 5.187 4.340 -0.016 0.000 0.271 415 L C -0.783 176.191 176.870 0.173 0.000 1.008 415 L CA -0.381 54.497 54.840 0.063 0.000 0.818 415 L CB 2.060 44.083 42.059 -0.060 0.000 1.296 415 L HN 0.476 nan 8.230 nan 0.000 0.427 416 V N 4.934 124.923 119.914 0.126 0.000 2.443 416 V HA 0.862 4.973 4.120 -0.016 0.000 0.293 416 V C -0.313 175.865 176.094 0.141 0.000 1.021 416 V CA -0.097 62.301 62.300 0.164 0.000 0.848 416 V CB 1.397 33.277 31.823 0.095 0.000 0.998 416 V HN 1.063 nan 8.190 nan 0.000 0.424 417 A N 7.955 130.885 122.820 0.184 0.000 2.301 417 A HA 0.865 5.176 4.320 -0.016 0.000 0.298 417 A C -0.594 177.206 177.584 0.360 0.000 1.185 417 A CA -0.415 51.751 52.037 0.215 0.000 0.830 417 A CB 0.359 19.428 19.000 0.115 0.000 1.112 417 A HN 0.859 nan 8.150 nan 0.000 0.508 418 I N 4.329 125.123 120.570 0.374 0.000 2.533 418 I HA 0.385 4.545 4.170 -0.016 0.000 0.290 418 I C -2.383 173.947 176.117 0.354 0.000 1.056 418 I CA -2.169 59.307 61.300 0.293 0.000 1.057 418 I CB 2.949 41.050 38.000 0.167 0.000 1.240 418 I HN 0.484 nan 8.210 nan 0.000 0.423 419 P HA 0.376 nan 4.420 nan 0.000 0.279 419 P C -1.338 175.997 177.300 0.057 0.000 1.252 419 P CA -0.202 62.849 63.100 -0.081 0.000 0.811 419 P CB 1.064 32.408 31.700 -0.593 0.000 1.035 420 F N -0.695 119.248 119.950 -0.011 0.000 2.591 420 F HA 0.542 5.060 4.527 -0.015 0.000 0.309 420 F C 0.964 176.756 175.800 -0.013 0.000 1.098 420 F CA -1.199 56.788 58.000 -0.021 0.000 0.937 420 F CB 1.358 40.337 39.000 -0.035 0.000 1.250 420 F HN 0.291 nan 8.300 nan 0.000 0.447 421 K N 0.018 120.562 120.400 0.240 0.000 2.314 421 K HA 0.246 4.557 4.320 -0.016 0.000 0.198 421 K C -0.923 175.833 176.600 0.261 0.000 1.045 421 K CA 0.874 57.252 56.287 0.150 0.000 0.988 421 K CB -0.116 32.440 32.500 0.093 0.000 0.783 421 K HN 0.808 nan 8.250 nan 0.000 0.484 422 D N -1.065 119.581 120.400 0.409 0.000 2.692 422 D HA -0.035 4.595 4.640 -0.016 0.000 0.290 422 D C 0.215 176.702 176.300 0.311 0.000 1.281 422 D CA -0.801 53.419 54.000 0.367 0.000 0.804 422 D CB 0.861 41.782 40.800 0.203 0.000 1.331 422 D HN 0.017 nan 8.370 nan 0.000 0.432 423 E N 0.046 120.427 120.200 0.302 0.000 2.049 423 E HA -0.349 3.992 4.350 -0.016 0.000 0.198 423 E C 1.455 178.086 176.600 0.052 0.000 1.007 423 E CA 1.946 58.474 56.400 0.214 0.000 0.809 423 E CB 0.057 29.827 29.700 0.117 0.000 0.749 423 E HN 0.601 nan 8.360 nan 0.000 0.450 424 E N 0.395 120.628 120.200 0.055 0.000 2.070 424 E HA -0.303 4.037 4.350 -0.016 0.000 0.197 424 E C 2.084 178.688 176.600 0.006 0.000 1.004 424 E CA 1.745 58.160 56.400 0.025 0.000 0.805 424 E CB -0.160 29.562 29.700 0.036 0.000 0.744 424 E HN 0.393 nan 8.360 nan 0.000 0.451 425 E N -0.328 119.888 120.200 0.026 0.000 2.152 425 E HA -0.134 4.206 4.350 -0.016 0.000 0.192 425 E C 1.939 178.500 176.600 -0.066 0.000 0.983 425 E CA 0.815 57.232 56.400 0.027 0.000 0.818 425 E CB -0.138 29.626 29.700 0.106 0.000 0.758 425 E HN 0.371 nan 8.360 nan 0.000 0.467 426 A N 1.097 123.744 122.820 -0.289 0.000 1.902 426 A HA -0.167 4.144 4.320 -0.016 0.000 0.217 426 A C 2.119 179.537 177.584 -0.276 0.000 1.181 426 A CA 1.297 52.936 52.037 -0.664 0.000 0.623 426 A CB -0.619 17.461 19.000 -1.533 0.000 0.818 426 A HN 0.392 nan 8.150 nan 0.000 0.443 427 L N -0.123 121.010 121.223 -0.150 0.000 2.027 427 L HA -0.075 4.255 4.340 -0.016 0.000 0.206 427 L C 2.451 179.298 176.870 -0.038 0.000 1.074 427 L CA 2.397 57.197 54.840 -0.066 0.000 0.745 427 L CB -0.648 41.391 42.059 -0.033 0.000 0.898 427 L HN 0.485 nan 8.230 nan 0.000 0.433 428 R N -0.267 120.217 120.500 -0.027 0.000 2.080 428 R HA -0.206 4.125 4.340 -0.016 0.000 0.236 428 R C 2.289 178.591 176.300 0.004 0.000 1.137 428 R CA 2.040 58.138 56.100 -0.005 0.000 0.943 428 R CB -0.197 30.107 30.300 0.007 0.000 0.846 428 R HN 0.360 nan 8.270 nan 0.000 0.431 429 K N -0.177 120.226 120.400 0.005 0.000 2.097 429 K HA -0.054 4.256 4.320 -0.016 0.000 0.205 429 K C 2.139 178.754 176.600 0.026 0.000 1.050 429 K CA 1.164 57.467 56.287 0.027 0.000 0.938 429 K CB -0.111 32.417 32.500 0.048 0.000 0.718 429 K HN 0.262 nan 8.250 nan 0.000 0.442 430 A N 2.110 124.932 122.820 0.003 0.000 1.883 430 A HA -0.184 4.127 4.320 -0.016 0.000 0.217 430 A C 1.701 179.301 177.584 0.026 0.000 1.186 430 A CA 1.715 53.763 52.037 0.018 0.000 0.624 430 A CB -0.408 18.590 19.000 -0.003 0.000 0.822 430 A HN 0.227 nan 8.150 nan 0.000 0.444 431 N N 0.104 118.811 118.700 0.012 0.000 2.467 431 N HA -0.029 4.701 4.740 -0.016 0.000 0.184 431 N C -0.082 175.438 175.510 0.016 0.000 1.106 431 N CA 0.607 53.664 53.050 0.011 0.000 0.892 431 N CB -0.192 38.294 38.487 -0.001 0.000 0.969 431 N HN 0.408 nan 8.380 nan 0.000 0.454 432 D N 1.083 121.497 120.400 0.023 0.000 2.801 432 D HA 0.048 4.679 4.640 -0.016 0.000 0.232 432 D C -0.296 176.023 176.300 0.032 0.000 1.128 432 D CA -0.017 53.998 54.000 0.025 0.000 1.003 432 D CB -0.376 40.443 40.800 0.031 0.000 1.110 432 D HN 0.195 nan 8.370 nan 0.000 0.477 433 T N -2.799 111.771 114.554 0.026 0.000 2.792 433 T HA 0.286 4.627 4.350 -0.016 0.000 0.303 433 T C 0.720 175.397 174.700 -0.039 0.000 1.310 433 T CA -0.961 61.155 62.100 0.026 0.000 1.007 433 T CB 1.245 70.179 68.868 0.111 0.000 1.335 433 T HN 0.101 nan 8.240 nan 0.000 0.504 434 K N -0.309 119.996 120.400 -0.159 0.000 2.487 434 K HA 0.176 4.486 4.320 -0.016 0.000 0.192 434 K C -0.360 176.033 176.600 -0.345 0.000 1.027 434 K CA -0.034 56.084 56.287 -0.281 0.000 1.054 434 K CB -0.315 31.948 32.500 -0.395 0.000 0.824 434 K HN 0.600 nan 8.250 nan 0.000 0.510 435 Y N 0.083 120.376 120.300 -0.011 0.000 2.545 435 Y HA 0.500 5.040 4.550 -0.017 0.000 0.324 435 Y C 0.983 176.869 175.900 -0.023 0.000 1.220 435 Y CA -0.778 57.312 58.100 -0.018 0.000 1.290 435 Y CB 2.069 40.524 38.460 -0.009 0.000 1.355 435 Y HN 0.067 nan 8.280 nan 0.000 0.516 436 G N 0.668 109.568 108.800 0.167 0.000 4.695 436 G HA2 0.186 4.137 3.960 -0.016 0.000 0.229 436 G HA3 0.186 4.137 3.960 -0.016 0.000 0.229 436 G C -0.670 174.231 174.900 0.002 0.000 2.630 436 G CA -0.243 44.890 45.100 0.054 0.000 0.626 436 G HN 0.483 nan 8.290 nan 0.000 0.234 437 L N 0.796 122.023 121.223 0.006 0.000 2.208 437 L HA 0.871 5.201 4.340 -0.016 0.000 0.196 437 L C 1.257 178.091 176.870 -0.060 0.000 1.130 437 L CA 1.906 56.713 54.840 -0.054 0.000 0.791 437 L CB -0.198 41.840 42.059 -0.035 0.000 0.969 437 L HN 0.447 nan 8.230 nan 0.000 0.468 438 A N -1.391 121.424 122.820 -0.009 0.000 2.437 438 A HA 0.911 5.222 4.320 -0.016 0.000 0.292 438 A C -1.293 176.242 177.584 -0.083 0.000 1.173 438 A CA -0.079 51.926 52.037 -0.053 0.000 0.785 438 A CB 1.220 20.229 19.000 0.015 0.000 1.351 438 A HN 0.595 nan 8.150 nan 0.000 0.431 439 A N -0.680 121.978 122.820 -0.270 0.000 2.589 439 A HA 0.690 5.001 4.320 -0.016 0.000 0.296 439 A C -2.088 175.260 177.584 -0.393 0.000 1.062 439 A CA -0.394 51.548 52.037 -0.158 0.000 0.686 439 A CB 0.833 19.788 19.000 -0.076 0.000 1.282 439 A HN 0.986 nan 8.150 nan 0.000 0.404 440 Y N 0.349 120.716 120.300 0.112 0.000 2.361 440 Y HA 0.571 5.113 4.550 -0.014 0.000 0.337 440 Y C -0.217 175.664 175.900 -0.031 0.000 0.965 440 Y CA -0.929 57.202 58.100 0.052 0.000 1.091 440 Y CB 2.357 40.937 38.460 0.200 0.000 1.182 440 Y HN 0.436 nan 8.280 nan 0.000 0.450 441 V N 4.452 124.278 119.914 -0.146 0.000 2.487 441 V HA 0.438 4.548 4.120 -0.016 0.000 0.298 441 V C -1.032 174.872 176.094 -0.317 0.000 1.028 441 V CA -1.031 61.228 62.300 -0.068 0.000 0.860 441 V CB 1.137 32.948 31.823 -0.021 0.000 0.991 441 V HN 0.517 nan 8.190 nan 0.000 0.427 442 F N 2.799 122.883 119.950 0.224 0.000 2.382 442 F HA 0.723 5.242 4.527 -0.014 0.000 0.361 442 F C 0.329 176.270 175.800 0.235 0.000 1.109 442 F CA -0.300 57.806 58.000 0.176 0.000 1.031 442 F CB 1.982 41.052 39.000 0.117 0.000 1.234 442 F HN 0.496 nan 8.300 nan 0.000 0.445 443 T N 2.002 116.693 114.554 0.229 0.000 2.957 443 T HA 0.317 4.657 4.350 -0.016 0.000 0.336 443 T C 0.411 175.136 174.700 0.040 0.000 1.462 443 T CA -0.597 61.581 62.100 0.131 0.000 1.073 443 T CB 1.358 70.178 68.868 -0.080 0.000 1.319 443 T HN 0.679 nan 8.240 nan 0.000 0.485 444 R N 0.923 121.442 120.500 0.031 0.000 2.254 444 R HA 0.145 4.476 4.340 -0.016 0.000 0.195 444 R C -0.137 176.153 176.300 -0.017 0.000 0.957 444 R CA 0.009 56.119 56.100 0.016 0.000 1.024 444 R CB 0.106 30.427 30.300 0.034 0.000 0.952 444 R HN 0.585 nan 8.270 nan 0.000 0.484 445 D N 1.065 121.435 120.400 -0.050 0.000 2.358 445 D HA -0.046 4.585 4.640 -0.016 0.000 0.258 445 D C 1.154 177.416 176.300 -0.063 0.000 1.223 445 D CA -0.213 53.750 54.000 -0.061 0.000 0.886 445 D CB 0.878 41.618 40.800 -0.099 0.000 1.120 445 D HN -0.142 nan 8.370 nan 0.000 0.482 446 L N 4.403 125.616 121.223 -0.017 0.000 1.971 446 L HA -0.200 4.130 4.340 -0.016 0.000 0.215 446 L C 1.662 178.569 176.870 0.062 0.000 1.072 446 L CA 1.917 56.777 54.840 0.034 0.000 0.758 446 L CB -0.594 41.502 42.059 0.061 0.000 0.889 446 L HN 0.607 nan 8.230 nan 0.000 0.433 447 E N -0.881 119.336 120.200 0.028 0.000 2.110 447 E HA -0.261 4.080 4.350 -0.016 0.000 0.193 447 E C 2.315 178.902 176.600 -0.021 0.000 0.988 447 E CA 1.161 57.575 56.400 0.023 0.000 0.804 447 E CB -0.266 29.433 29.700 -0.002 0.000 0.745 447 E HN 0.462 nan 8.360 nan 0.000 0.458 448 R N 0.885 121.332 120.500 -0.088 0.000 2.075 448 R HA -0.110 4.220 4.340 -0.016 0.000 0.232 448 R C 2.257 178.454 176.300 -0.171 0.000 1.126 448 R CA 1.172 57.174 56.100 -0.165 0.000 0.963 448 R CB -0.167 29.954 30.300 -0.298 0.000 0.858 448 R HN 0.141 nan 8.270 nan 0.000 0.435 449 A N 1.042 123.757 122.820 -0.175 0.000 1.851 449 A HA -0.209 4.101 4.320 -0.016 0.000 0.216 449 A C 1.981 179.428 177.584 -0.229 0.000 1.195 449 A CA 1.615 53.518 52.037 -0.224 0.000 0.622 449 A CB -1.030 17.799 19.000 -0.284 0.000 0.831 449 A HN 0.472 nan 8.150 nan 0.000 0.444 450 H N -1.089 117.935 119.070 -0.077 0.000 2.387 450 H HA -0.081 4.466 4.556 -0.016 0.000 0.299 450 H C 2.295 177.584 175.328 -0.064 0.000 1.090 450 H CA 1.682 57.690 56.048 -0.067 0.000 1.332 450 H CB -0.161 29.568 29.762 -0.055 0.000 1.386 450 H HN 0.540 nan 8.280 nan 0.000 0.516 451 R N 0.756 121.280 120.500 0.040 0.000 2.073 451 R HA -0.090 4.241 4.340 -0.016 0.000 0.234 451 R C 2.449 178.734 176.300 -0.025 0.000 1.134 451 R CA 0.992 57.092 56.100 -0.000 0.000 0.952 451 R CB -0.205 30.082 30.300 -0.021 0.000 0.850 451 R HN 0.193 nan 8.270 nan 0.000 0.433 452 L N 0.060 121.253 121.223 -0.051 0.000 2.093 452 L HA -0.082 4.249 4.340 -0.016 0.000 0.208 452 L C 2.654 179.493 176.870 -0.052 0.000 1.085 452 L CA 1.061 55.873 54.840 -0.046 0.000 0.755 452 L CB -0.481 41.552 42.059 -0.042 0.000 0.904 452 L HN 0.350 nan 8.230 nan 0.000 0.435 453 A N 0.036 122.813 122.820 -0.072 0.000 1.908 453 A HA -0.239 4.072 4.320 -0.016 0.000 0.218 453 A C 2.200 179.749 177.584 -0.058 0.000 1.181 453 A CA 1.744 53.730 52.037 -0.085 0.000 0.627 453 A CB -0.646 18.290 19.000 -0.106 0.000 0.818 453 A HN 0.334 nan 8.150 nan 0.000 0.445 454 L N -0.643 120.563 121.223 -0.029 0.000 2.156 454 L HA -0.051 4.279 4.340 -0.016 0.000 0.208 454 L C 1.952 178.804 176.870 -0.030 0.000 1.095 454 L CA 1.886 56.711 54.840 -0.024 0.000 0.770 454 L CB -0.322 41.732 42.059 -0.008 0.000 0.914 454 L HN 0.324 nan 8.230 nan 0.000 0.439 455 E N -0.322 119.861 120.200 -0.029 0.000 2.318 455 E HA 0.086 4.426 4.350 -0.016 0.000 0.193 455 E C 0.678 177.260 176.600 -0.030 0.000 0.998 455 E CA 0.072 56.456 56.400 -0.026 0.000 0.859 455 E CB -0.029 29.658 29.700 -0.022 0.000 0.812 455 E HN 0.400 nan 8.360 nan 0.000 0.492 456 L N 2.629 123.830 121.223 -0.038 0.000 2.418 456 L HA 0.033 4.364 4.340 -0.016 0.000 0.274 456 L C 0.380 177.223 176.870 -0.043 0.000 1.135 456 L CA 0.188 55.005 54.840 -0.038 0.000 0.870 456 L CB 0.231 42.262 42.059 -0.046 0.000 1.154 456 L HN -0.169 nan 8.230 nan 0.000 0.462 457 E N 4.173 124.354 120.200 -0.032 0.000 1.865 457 E HA 0.465 4.805 4.350 -0.016 0.000 0.269 457 E C -0.311 176.267 176.600 -0.037 0.000 1.177 457 E CA -0.270 56.110 56.400 -0.034 0.000 0.932 457 E CB 0.569 30.256 29.700 -0.022 0.000 1.066 457 E HN 0.631 nan 8.360 nan 0.000 0.405 458 A N 1.265 124.048 122.820 -0.062 0.000 2.604 458 A HA 0.583 4.893 4.320 -0.016 0.000 0.295 458 A C 0.797 178.313 177.584 -0.113 0.000 1.067 458 A CA -0.413 51.577 52.037 -0.078 0.000 0.683 458 A CB 1.196 20.145 19.000 -0.085 0.000 1.281 458 A HN 0.492 nan 8.150 nan 0.000 0.407 459 G N -0.359 108.357 108.800 -0.140 0.000 2.464 459 G HA2 0.347 4.297 3.960 -0.016 0.000 0.217 459 G HA3 0.347 4.297 3.960 -0.016 0.000 0.217 459 G C 0.249 175.033 174.900 -0.193 0.000 1.138 459 G CA 1.082 46.076 45.100 -0.178 0.000 0.793 459 G HN 0.480 nan 8.290 nan 0.000 0.539 460 M N 0.030 119.512 119.600 -0.197 0.000 2.327 460 M HA 0.524 4.995 4.480 -0.016 0.000 0.298 460 M C -1.243 174.837 176.300 -0.367 0.000 1.065 460 M CA -0.430 54.704 55.300 -0.277 0.000 0.916 460 M CB 3.138 35.633 32.600 -0.175 0.000 1.630 460 M HN -0.216 nan 8.290 nan 0.000 0.442 461 V N 3.469 123.087 119.914 -0.493 0.000 2.540 461 V HA 0.537 4.647 4.120 -0.016 0.000 0.302 461 V C -1.499 174.211 176.094 -0.639 0.000 1.035 461 V CA -0.770 61.263 62.300 -0.445 0.000 0.873 461 V CB 1.743 33.404 31.823 -0.271 0.000 0.992 461 V HN 0.686 nan 8.190 nan 0.000 0.428 462 Y N 4.598 124.697 120.300 -0.334 0.000 2.335 462 Y HA 0.620 5.162 4.550 -0.013 0.000 0.338 462 Y C -0.007 175.738 175.900 -0.258 0.000 0.977 462 Y CA -0.680 57.274 58.100 -0.244 0.000 1.114 462 Y CB 1.634 39.989 38.460 -0.176 0.000 1.182 462 Y HN 0.413 nan 8.280 nan 0.000 0.463 463 L N 4.389 125.537 121.223 -0.126 0.000 2.272 463 L HA 0.339 4.670 4.340 -0.016 0.000 0.289 463 L C -0.119 176.632 176.870 -0.199 0.000 1.032 463 L CA -0.719 53.996 54.840 -0.208 0.000 0.810 463 L CB 0.720 42.656 42.059 -0.206 0.000 1.205 463 L HN 0.773 nan 8.230 nan 0.000 0.422 464 N N 1.548 120.015 118.700 -0.387 0.000 2.727 464 N HA -0.197 4.534 4.740 -0.016 0.000 0.249 464 N C -0.327 175.213 175.510 0.051 0.000 1.048 464 N CA 1.242 54.182 53.050 -0.184 0.000 0.714 464 N CB -0.821 37.675 38.487 0.015 0.000 0.959 464 N HN 0.881 nan 8.380 nan 0.000 0.544 465 S N -2.183 113.530 115.700 0.021 0.000 2.636 465 S HA 0.462 4.923 4.470 -0.016 0.000 0.266 465 S C -0.314 174.492 174.600 0.342 0.000 1.147 465 S CA -0.970 57.390 58.200 0.267 0.000 0.815 465 S CB 1.975 65.240 63.200 0.109 0.000 1.119 465 S HN 0.306 nan 8.310 nan 0.000 0.470 466 H N 1.037 120.202 119.070 0.158 0.000 2.417 466 H HA 0.477 5.024 4.556 -0.014 0.000 0.325 466 H C 0.000 175.282 175.328 -0.078 0.000 1.549 466 H CA -0.611 55.492 56.048 0.091 0.000 1.476 466 H CB -0.204 29.561 29.762 0.005 0.000 1.732 466 H HN 0.703 nan 8.280 nan 0.000 0.695 467 N N 0.549 119.132 118.700 -0.196 0.000 2.400 467 N HA 0.061 4.791 4.740 -0.016 0.000 0.267 467 N C -1.283 173.936 175.510 -0.486 0.000 1.208 467 N CA 0.033 52.719 53.050 -0.607 0.000 0.951 467 N CB -0.128 38.237 38.487 -0.202 0.000 1.227 467 N HN 0.301 nan 8.380 nan 0.000 0.488 468 V N 5.348 124.981 119.914 -0.469 0.000 2.376 468 V HA 0.374 4.484 4.120 -0.016 0.000 0.287 468 V C 0.403 176.516 176.094 0.032 0.000 1.015 468 V CA -0.907 61.266 62.300 -0.212 0.000 0.834 468 V CB 1.228 32.905 31.823 -0.243 0.000 1.001 468 V HN 0.460 nan 8.190 nan 0.000 0.428 469 R N 1.954 122.454 120.500 0.000 0.000 2.500 469 R HA 0.490 4.820 4.340 -0.016 0.000 0.277 469 R C -0.787 175.561 176.300 0.080 0.000 1.026 469 R CA -0.730 55.395 56.100 0.041 0.000 1.058 469 R CB 1.392 31.629 30.300 -0.105 0.000 1.078 469 R HN 0.762 nan 8.270 nan 0.000 0.509 470 H N 2.348 121.402 119.070 -0.026 0.000 2.991 470 H HA 0.206 4.752 4.556 -0.017 0.000 0.304 470 H C 0.995 176.294 175.328 -0.048 0.000 1.040 470 H CA -0.357 55.673 56.048 -0.030 0.000 1.410 470 H CB 0.373 30.147 29.762 0.020 0.000 1.529 470 H HN 0.547 nan 8.280 nan 0.000 0.509 471 L N 4.617 125.642 121.223 -0.331 0.000 2.103 471 L HA -0.149 4.181 4.340 -0.016 0.000 0.215 471 L C -0.725 175.992 176.870 -0.255 0.000 1.080 471 L CA 1.345 55.886 54.840 -0.500 0.000 0.764 471 L CB -1.256 40.006 42.059 -1.329 0.000 0.890 471 L HN 0.502 nan 8.230 nan 0.000 0.435 472 P HA -0.062 nan 4.420 nan 0.000 0.229 472 P C 0.684 178.141 177.300 0.261 0.000 1.160 472 P CA 0.808 64.015 63.100 0.177 0.000 0.777 472 P CB -0.174 31.582 31.700 0.093 0.000 0.814 473 T N -2.258 112.377 114.554 0.134 0.000 2.860 473 T HA 0.258 4.599 4.350 -0.016 0.000 0.299 473 T C -2.443 172.287 174.700 0.050 0.000 1.045 473 T CA -2.031 60.144 62.100 0.125 0.000 1.071 473 T CB 0.144 69.062 68.868 0.083 0.000 0.985 473 T HN -0.088 nan 8.240 nan 0.000 0.537 474 P HA 0.273 nan 4.420 nan 0.000 0.282 474 P C -1.302 175.978 177.300 -0.034 0.000 1.262 474 P CA -0.421 62.430 63.100 -0.415 0.000 0.773 474 P CB 0.173 31.233 31.700 -1.067 0.000 0.879 475 F N 3.727 123.694 119.950 0.027 0.000 2.482 475 F HA 0.723 5.238 4.527 -0.019 0.000 0.331 475 F C 0.103 175.953 175.800 0.083 0.000 1.115 475 F CA 0.370 58.418 58.000 0.080 0.000 0.955 475 F CB 1.861 40.987 39.000 0.211 0.000 1.136 475 F HN 0.662 nan 8.300 nan 0.000 0.452 476 G N 2.450 110.684 108.800 -0.942 0.000 2.327 476 G HA2 0.465 4.415 3.960 -0.016 0.000 0.291 476 G HA3 0.465 4.415 3.960 -0.016 0.000 0.291 476 G C -1.479 173.117 174.900 -0.506 0.000 1.290 476 G CA -0.211 44.486 45.100 -0.671 0.000 0.857 476 G HN 1.150 nan 8.290 nan 0.000 0.520 477 G N -1.816 106.807 108.800 -0.295 0.000 2.818 477 G HA2 0.977 4.927 3.960 -0.016 0.000 0.286 477 G HA3 0.977 4.927 3.960 -0.016 0.000 0.286 477 G C -0.415 174.415 174.900 -0.117 0.000 1.364 477 G CA 0.351 45.336 45.100 -0.191 0.000 0.938 477 G HN 1.934 nan 8.290 nan 0.000 0.490 478 V N -3.227 116.642 119.914 -0.076 0.000 3.181 478 V HA 0.843 4.953 4.120 -0.016 0.000 0.314 478 V C 0.651 176.726 176.094 -0.031 0.000 1.173 478 V CA -0.480 61.787 62.300 -0.054 0.000 1.052 478 V CB 1.051 32.842 31.823 -0.052 0.000 1.123 478 V HN 1.136 nan 8.190 nan 0.000 0.454 479 K N 0.173 120.553 120.400 -0.034 0.000 1.939 479 K HA -0.238 4.073 4.320 -0.016 0.000 0.165 479 K C 1.134 177.711 176.600 -0.038 0.000 1.508 479 K CA 1.482 57.746 56.287 -0.039 0.000 0.525 479 K CB -1.782 30.695 32.500 -0.037 0.000 0.615 479 K HN 1.387 nan 8.250 nan 0.000 0.888 480 G N 0.195 108.959 108.800 -0.060 0.000 2.882 480 G HA2 -0.018 3.933 3.960 -0.016 0.000 0.206 480 G HA3 -0.018 3.933 3.960 -0.016 0.000 0.206 480 G C 0.828 175.782 174.900 0.090 0.000 1.155 480 G CA 0.887 45.953 45.100 -0.056 0.000 0.800 480 G HN 0.304 nan 8.290 nan 0.000 0.524 481 S N -0.240 115.518 115.700 0.098 0.000 2.575 481 S HA 0.478 4.939 4.470 -0.016 0.000 0.215 481 S C 1.145 175.743 174.600 -0.005 0.000 0.966 481 S CA 0.430 58.684 58.200 0.090 0.000 0.911 481 S CB 0.283 63.517 63.200 0.056 0.000 0.780 481 S HN 1.061 nan 8.310 nan 0.000 0.514 482 G N 0.880 109.669 108.800 -0.019 0.000 2.331 482 G HA2 0.173 4.123 3.960 -0.016 0.000 0.479 482 G HA3 0.173 4.123 3.960 -0.016 0.000 0.479 482 G C -1.792 173.072 174.900 -0.061 0.000 1.262 482 G CA -0.404 44.667 45.100 -0.047 0.000 1.029 482 G HN 0.293 nan 8.290 nan 0.000 0.487 483 D N -0.756 119.600 120.400 -0.074 0.000 2.639 483 D HA 0.664 5.295 4.640 -0.016 0.000 0.271 483 D C 0.230 176.479 176.300 -0.085 0.000 1.254 483 D CA 0.023 53.982 54.000 -0.069 0.000 0.810 483 D CB 1.186 41.957 40.800 -0.047 0.000 1.351 483 D HN 0.998 nan 8.370 nan 0.000 0.427 484 R N -0.132 120.332 120.500 -0.060 0.000 3.948 484 R HA -0.077 4.254 4.340 -0.016 0.000 0.462 484 R C -0.956 175.316 176.300 -0.047 0.000 0.241 484 R CA 0.046 56.116 56.100 -0.049 0.000 1.455 484 R CB -0.705 29.523 30.300 -0.120 0.000 1.112 484 R HN 0.656 nan 8.270 nan 0.000 0.510 485 R N 1.144 121.650 120.500 0.011 0.000 2.771 485 R HA 0.466 4.796 4.340 -0.016 0.000 0.274 485 R C -0.308 176.088 176.300 0.160 0.000 0.987 485 R CA -0.886 55.254 56.100 0.066 0.000 0.908 485 R CB 1.767 32.102 30.300 0.059 0.000 1.213 485 R HN 0.494 nan 8.270 nan 0.000 0.468 486 E N -0.080 120.287 120.200 0.279 0.000 2.281 486 E HA 0.660 5.000 4.350 -0.016 0.000 0.262 486 E C -0.339 176.515 176.600 0.422 0.000 0.933 486 E CA -0.630 55.942 56.400 0.288 0.000 0.809 486 E CB 2.223 32.081 29.700 0.264 0.000 1.242 486 E HN 0.743 nan 8.360 nan 0.000 0.418 487 G N 0.187 109.193 108.800 0.342 0.000 3.438 487 G HA2 0.289 4.240 3.960 -0.016 0.000 0.684 487 G HA3 0.289 4.240 3.960 -0.016 0.000 0.684 487 G C 0.484 175.643 174.900 0.431 0.000 1.192 487 G CA -0.096 45.276 45.100 0.453 0.000 1.013 487 G HN 0.871 nan 8.290 nan 0.000 0.530 488 G N 2.078 111.022 108.800 0.240 0.000 2.672 488 G HA2 -0.090 3.860 3.960 -0.016 0.000 0.324 488 G HA3 -0.090 3.860 3.960 -0.016 0.000 0.324 488 G C 1.923 176.793 174.900 -0.051 0.000 1.286 488 G CA 2.691 47.620 45.100 -0.285 0.000 1.004 488 G HN 2.507 nan 8.290 nan 0.000 0.548 489 T N -2.484 112.085 114.554 0.025 0.000 2.962 489 T HA -0.023 4.317 4.350 -0.016 0.000 0.270 489 T C 1.999 176.634 174.700 -0.108 0.000 1.088 489 T CA 2.200 64.279 62.100 -0.034 0.000 1.127 489 T CB -0.297 68.488 68.868 -0.139 0.000 0.883 489 T HN 0.576 nan 8.240 nan 0.000 0.493 490 Y N 1.847 122.234 120.300 0.144 0.000 2.352 490 Y HA 0.219 4.774 4.550 0.008 0.000 0.292 490 Y C 2.960 178.958 175.900 0.162 0.000 1.136 490 Y CA 0.476 58.657 58.100 0.135 0.000 1.227 490 Y CB -0.690 37.854 38.460 0.140 0.000 0.991 490 Y HN 0.333 nan 8.280 nan 0.000 0.545 491 A N 0.123 123.163 122.820 0.368 0.000 2.015 491 A HA -0.122 4.189 4.320 -0.016 0.000 0.219 491 A C 2.171 180.006 177.584 0.418 0.000 1.163 491 A CA 1.089 53.393 52.037 0.444 0.000 0.646 491 A CB -0.968 18.366 19.000 0.555 0.000 0.806 491 A HN 0.508 nan 8.150 nan 0.000 0.448 492 L N -0.405 120.894 121.223 0.127 0.000 2.079 492 L HA -0.231 4.100 4.340 -0.016 0.000 0.210 492 L C 1.902 178.763 176.870 -0.015 0.000 1.081 492 L CA 1.515 56.257 54.840 -0.164 0.000 0.752 492 L CB -0.583 41.298 42.059 -0.297 0.000 0.896 492 L HN 0.399 nan 8.230 nan 0.000 0.433 493 D N -0.778 119.656 120.400 0.056 0.000 2.263 493 D HA -0.208 4.422 4.640 -0.016 0.000 0.208 493 D C 1.798 178.143 176.300 0.074 0.000 0.971 493 D CA 1.346 55.382 54.000 0.059 0.000 0.867 493 D CB 0.167 41.021 40.800 0.091 0.000 0.929 493 D HN 0.358 nan 8.370 nan 0.000 0.492 494 F N -0.597 119.304 119.950 -0.083 0.000 2.343 494 F HA -0.030 4.485 4.527 -0.020 0.000 0.286 494 F C 1.668 177.334 175.800 -0.224 0.000 1.057 494 F CA 0.390 58.262 58.000 -0.214 0.000 1.365 494 F CB -0.146 38.613 39.000 -0.401 0.000 1.114 494 F HN -0.187 nan 8.300 nan 0.000 0.545 495 Y N 1.008 121.316 120.300 0.014 0.000 2.561 495 Y HA 0.089 4.627 4.550 -0.020 0.000 0.291 495 Y C 0.983 176.850 175.900 -0.055 0.000 1.141 495 Y CA 0.588 58.670 58.100 -0.031 0.000 1.303 495 Y CB -0.451 38.207 38.460 0.330 0.000 1.015 495 Y HN 0.023 nan 8.280 nan 0.000 0.547 496 T N -3.398 111.164 114.554 0.014 0.000 2.887 496 T HA 0.444 4.784 4.350 -0.016 0.000 0.292 496 T C -1.130 173.547 174.700 -0.037 0.000 1.087 496 T CA -1.143 60.955 62.100 -0.003 0.000 1.009 496 T CB 2.669 71.506 68.868 -0.050 0.000 1.203 496 T HN -0.227 nan 8.240 nan 0.000 0.518 497 D N 1.049 121.442 120.400 -0.012 0.000 2.256 497 D HA 0.473 5.103 4.640 -0.016 0.000 0.246 497 D C -0.232 176.066 176.300 -0.003 0.000 1.042 497 D CA -0.404 53.587 54.000 -0.015 0.000 0.841 497 D CB 2.027 42.825 40.800 -0.003 0.000 1.223 497 D HN 0.483 nan 8.370 nan 0.000 0.470 498 L N 1.561 122.781 121.223 -0.005 0.000 2.395 498 L HA 0.342 4.672 4.340 -0.016 0.000 0.269 498 L C 0.515 177.387 176.870 0.004 0.000 1.133 498 L CA -0.032 54.812 54.840 0.006 0.000 0.812 498 L CB 0.760 42.823 42.059 0.008 0.000 1.125 498 L HN 0.120 nan 8.230 nan 0.000 0.452 499 K N 1.062 121.467 120.400 0.010 0.000 2.535 499 K HA 0.393 4.704 4.320 -0.016 0.000 0.250 499 K C -1.406 175.179 176.600 -0.024 0.000 0.948 499 K CA -0.492 55.789 56.287 -0.009 0.000 0.796 499 K CB 1.849 34.345 32.500 -0.008 0.000 1.216 499 K HN 0.475 nan 8.250 nan 0.000 0.432 500 T N 4.938 119.468 114.554 -0.041 0.000 2.749 500 T HA 0.442 4.783 4.350 -0.016 0.000 0.287 500 T C -0.157 174.478 174.700 -0.109 0.000 0.970 500 T CA -0.400 61.674 62.100 -0.043 0.000 0.980 500 T CB 0.215 69.073 68.868 -0.017 0.000 0.924 500 T HN 0.397 nan 8.240 nan 0.000 0.456 501 I N 2.919 123.322 120.570 -0.278 0.000 2.378 501 I HA 0.673 4.833 4.170 -0.016 0.000 0.291 501 I C 0.126 176.063 176.117 -0.300 0.000 0.992 501 I CA -0.867 60.193 61.300 -0.401 0.000 1.154 501 I CB 1.536 39.023 38.000 -0.856 0.000 1.315 501 I HN 0.623 nan 8.210 nan 0.000 0.448 502 A N 7.739 130.453 122.820 -0.176 0.000 2.374 502 A HA 0.999 5.310 4.320 -0.016 0.000 0.317 502 A C -0.963 176.604 177.584 -0.028 0.000 1.094 502 A CA -0.538 51.358 52.037 -0.234 0.000 0.765 502 A CB 1.569 20.316 19.000 -0.423 0.000 1.268 502 A HN 0.745 nan 8.150 nan 0.000 0.438 503 L N -0.241 121.001 121.223 0.032 0.000 2.549 503 L HA 0.750 5.080 4.340 -0.016 0.000 0.259 503 L C -3.085 173.632 176.870 -0.256 0.000 0.934 503 L CA -1.934 52.892 54.840 -0.024 0.000 0.865 503 L CB 2.525 44.577 42.059 -0.011 0.000 1.352 503 L HN 0.415 nan 8.230 nan 0.000 0.410 504 P HA 0.236 nan 4.420 nan 0.000 0.282 504 P C -0.149 176.832 177.300 -0.532 0.000 1.249 504 P CA -0.438 61.962 63.100 -1.166 0.000 0.806 504 P CB 2.113 33.015 31.700 -1.330 0.000 0.984 505 L N 1.397 122.360 121.223 -0.433 0.000 2.509 505 L HA 0.160 4.491 4.340 -0.016 0.000 0.222 505 L C 1.440 178.194 176.870 -0.194 0.000 1.123 505 L CA 1.129 55.836 54.840 -0.222 0.000 0.856 505 L CB -0.752 41.227 42.059 -0.134 0.000 0.985 505 L HN 0.555 nan 8.230 nan 0.000 0.456 506 R N -2.666 117.682 120.500 -0.254 0.000 2.692 506 R HA 0.474 4.805 4.340 -0.016 0.000 0.269 506 R C -2.868 173.314 176.300 -0.197 0.000 1.030 506 R CA -1.819 54.178 56.100 -0.172 0.000 0.882 506 R CB -0.023 30.209 30.300 -0.115 0.000 1.250 506 R HN -0.328 nan 8.270 nan 0.000 0.465 507 P HA 0.022 nan 4.420 nan 0.000 0.255 507 P C -2.058 175.205 177.300 -0.062 0.000 1.173 507 P CA -0.128 62.920 63.100 -0.087 0.000 0.780 507 P CB 0.067 31.744 31.700 -0.040 0.000 0.758 508 P HA 0.170 nan 4.420 nan 0.000 0.280 508 P C -0.862 176.517 177.300 0.132 0.000 1.272 508 P CA -0.467 62.665 63.100 0.053 0.000 0.819 508 P CB 0.749 32.504 31.700 0.091 0.000 1.122 509 H N 0.181 119.318 119.070 0.111 0.000 2.800 509 H HA 0.342 4.888 4.556 -0.016 0.000 0.291 509 H C -0.906 174.486 175.328 0.106 0.000 1.076 509 H CA -0.251 55.852 56.048 0.092 0.000 1.452 509 H CB -0.148 29.667 29.762 0.088 0.000 1.461 509 H HN -0.047 nan 8.280 nan 0.000 0.488 510 V N 8.759 128.436 119.914 -0.395 0.000 2.370 510 V HA 0.256 4.366 4.120 -0.016 0.000 0.279 510 V C -1.974 173.816 176.094 -0.506 0.000 1.029 510 V CA -1.929 60.180 62.300 -0.320 0.000 0.870 510 V CB 1.056 32.812 31.823 -0.111 0.000 0.984 510 V HN 0.864 nan 8.190 nan 0.000 0.451 511 P HA 0.070 nan 4.420 nan 0.000 0.262 511 P C -0.561 176.779 177.300 0.066 0.000 1.182 511 P CA -0.038 63.005 63.100 -0.096 0.000 0.761 511 P CB 0.324 32.085 31.700 0.101 0.000 0.795 512 K N 3.539 123.999 120.400 0.101 0.000 2.297 512 K HA 0.380 4.690 4.320 -0.016 0.000 0.286 512 K C -0.474 176.216 176.600 0.149 0.000 1.053 512 K CA 0.005 56.360 56.287 0.114 0.000 0.940 512 K CB 0.064 32.604 32.500 0.067 0.000 1.019 512 K HN 0.365 nan 8.250 nan 0.000 0.475 513 F N -0.095 119.852 119.950 -0.005 0.000 2.529 513 F HA 0.331 4.849 4.527 -0.015 0.000 0.320 513 F C 1.113 176.913 175.800 0.000 0.000 1.118 513 F CA -0.332 57.667 58.000 -0.001 0.000 0.915 513 F CB 2.110 41.106 39.000 -0.006 0.000 1.161 513 F HN 0.777 nan 8.300 nan 0.000 0.445 514 G N 2.801 111.619 108.800 0.031 0.000 2.225 514 G HA2 -0.294 3.657 3.960 -0.016 0.000 0.267 514 G HA3 -0.294 3.657 3.960 -0.016 0.000 0.267 514 G C -0.036 174.880 174.900 0.027 0.000 1.024 514 G CA 0.683 45.806 45.100 0.038 0.000 0.784 514 G HN 0.666 nan 8.290 nan 0.000 0.507 515 K N 0.000 120.405 120.400 0.008 0.000 2.780 515 K HA 0.000 4.311 4.320 -0.016 0.000 0.191 515 K CA 0.000 56.294 56.287 0.012 0.000 0.838 515 K CB 0.000 32.517 32.500 0.028 0.000 1.064 515 K HN 0.000 nan 8.250 nan 0.000 0.543