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 1q57_1_D DATA FIRST_RESID 64 DATA SEQUENCE MTYNVWNFGE SNGRYSALTA RGISKETCQK AGYWIAKVDG VMYQVADYRD DATA SEQUENCE QNGNIVSQKV RDKDKNFKTT GSHKSDALFG KHLWNGGKKI VVTEGEIDML DATA SEQUENCE TVMELQDCKY PVVSLGHGAS AAKKTCAANY EYFDQFEQII LMFDMDEAGR DATA SEQUENCE KAVEEAAQVL PAGKVRVAVL PCKDANECHL NGHDREIMEQ VWNAGPWIPD DATA SEQUENCE GVVSALSLRE RIREHLSSEE SVGLLFSGCT GINDKTLGAR GGEVIMVTSG DATA SEQUENCE SGMVMSTFVR QQALQWGTAM GKKVGLAMLE ESVEETAEDL IGLHNRVRLR DATA SEQUENCE QSDSLKREII ENGKFDQWFD ELFGNDTFHL YDSFXXXETD RLLAKLAYMR DATA SEQUENCE SGLGCDVIIL DHISIVVSAS GESDERKMID NLMTKLKGFA KSTGVVLVVI DATA SEQUENCE CHLKNPDKGK AHEEGRPVSI TDLRGSGALR QLSDTIIALE RNQQGDMPNL DATA SEQUENCE VLVRILKCRF TGDTGIAGYM EYNKETGWLE PSSYSG 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 64 M HA 0.000 nan 4.480 nan 0.000 0.227 64 M C 0.000 176.274 176.300 -0.044 0.000 1.140 64 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 64 M CB 0.000 nan 32.600 nan 0.000 1.302 65 T N -0.802 113.748 114.554 -0.006 0.000 2.882 65 T HA 0.647 4.997 4.350 -0.000 0.000 0.287 65 T C -0.072 174.655 174.700 0.046 0.000 1.014 65 T CA -0.009 62.101 62.100 0.018 0.000 1.049 65 T CB 0.099 69.008 68.868 0.069 0.000 1.001 65 T HN 1.068 nan 8.240 nan 0.000 0.525 66 Y N 3.248 123.575 120.300 0.045 0.000 2.852 66 Y HA 0.008 4.558 4.550 0.001 0.000 0.343 66 Y C 1.374 177.328 175.900 0.089 0.000 1.280 66 Y CA -0.024 58.114 58.100 0.064 0.000 1.604 66 Y CB -0.127 38.360 38.460 0.045 0.000 1.216 66 Y HN 0.644 nan 8.280 nan 0.000 0.541 67 N N 2.248 121.105 118.700 0.262 0.000 2.407 67 N HA -0.003 4.737 4.740 -0.000 0.000 0.250 67 N C -0.703 174.980 175.510 0.288 0.000 1.236 67 N CA -0.124 53.058 53.050 0.220 0.000 0.879 67 N CB 0.555 39.148 38.487 0.176 0.000 1.088 67 N HN 0.328 nan 8.380 nan 0.000 0.450 68 V N 0.763 120.815 119.914 0.231 0.000 2.599 68 V HA -0.028 4.092 4.120 -0.000 0.000 0.300 68 V C 0.328 176.649 176.094 0.379 0.000 1.034 68 V CA -0.606 61.852 62.300 0.263 0.000 1.115 68 V CB -0.201 31.739 31.823 0.196 0.000 0.934 68 V HN 0.467 nan 8.190 nan 0.000 0.485 69 W N 3.743 125.134 121.300 0.152 0.000 2.446 69 W HA 0.284 4.944 4.660 -0.001 0.000 0.316 69 W C 0.717 177.357 176.519 0.201 0.000 1.376 69 W CA -0.852 56.603 57.345 0.184 0.000 1.300 69 W CB -0.688 28.913 29.460 0.235 0.000 1.351 69 W HN 0.625 nan 8.180 nan 0.000 0.530 70 N N 3.201 122.022 118.700 0.201 0.000 2.497 70 N HA 0.036 4.776 4.740 -0.000 0.000 0.268 70 N C -0.554 174.956 175.510 -0.001 0.000 1.171 70 N CA -0.665 52.433 53.050 0.080 0.000 0.948 70 N CB 0.421 38.921 38.487 0.023 0.000 1.069 70 N HN 0.147 nan 8.380 nan 0.000 0.460 71 F N 2.503 122.238 119.950 -0.358 0.000 2.506 71 F HA 0.274 4.801 4.527 -0.000 0.000 0.371 71 F C 1.384 177.002 175.800 -0.302 0.000 1.078 71 F CA 0.819 58.447 58.000 -0.620 0.000 1.195 71 F CB -0.193 38.300 39.000 -0.845 0.000 1.099 71 F HN 0.716 nan 8.300 nan 0.000 0.548 72 G N 4.580 113.406 108.800 0.042 0.000 2.850 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.207 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.207 72 G C 1.330 176.216 174.900 -0.023 0.000 1.302 72 G CA 0.153 45.300 45.100 0.077 0.000 0.832 72 G HN 0.518 nan 8.290 nan 0.000 0.543 73 E N 1.258 121.433 120.200 -0.041 0.000 2.068 73 E HA -0.129 4.221 4.350 -0.000 0.000 0.207 73 E C 1.487 178.001 176.600 -0.142 0.000 1.032 73 E CA 1.697 58.045 56.400 -0.086 0.000 0.839 73 E CB -0.334 29.311 29.700 -0.093 0.000 0.758 73 E HN 0.746 nan 8.360 nan 0.000 0.457 74 S N 0.893 116.493 115.700 -0.166 0.000 2.499 74 S HA 0.234 4.704 4.470 -0.000 0.000 0.279 74 S C -0.200 174.346 174.600 -0.090 0.000 1.219 74 S CA -0.672 57.409 58.200 -0.198 0.000 1.062 74 S CB 0.634 63.645 63.200 -0.315 0.000 0.978 74 S HN 0.101 nan 8.310 nan 0.000 0.489 75 N N 2.263 120.909 118.700 -0.091 0.000 2.736 75 N HA 0.200 4.940 4.740 -0.000 0.000 0.307 75 N C 0.549 176.004 175.510 -0.093 0.000 1.212 75 N CA -0.308 52.700 53.050 -0.070 0.000 1.158 75 N CB -0.037 38.423 38.487 -0.045 0.000 1.460 75 N HN 0.805 nan 8.380 nan 0.000 0.514 76 G N 1.254 109.898 108.800 -0.260 0.000 2.415 76 G HA2 0.419 4.379 3.960 -0.000 0.000 0.269 76 G HA3 0.419 4.379 3.960 -0.000 0.000 0.269 76 G C -0.133 174.553 174.900 -0.358 0.000 1.209 76 G CA -0.569 44.180 45.100 -0.585 0.000 0.835 76 G HN 0.438 nan 8.290 nan 0.000 0.534 77 R N 0.406 120.824 120.500 -0.137 0.000 2.651 77 R HA 0.208 4.548 4.340 -0.000 0.000 0.278 77 R C -1.725 174.675 176.300 0.167 0.000 1.010 77 R CA -0.862 55.296 56.100 0.097 0.000 0.896 77 R CB 1.872 32.227 30.300 0.091 0.000 1.211 77 R HN 0.489 nan 8.270 nan 0.000 0.456 78 Y N 1.741 122.242 120.300 0.335 0.000 2.714 78 Y HA 0.176 4.726 4.550 -0.000 0.000 0.333 78 Y C 0.535 176.550 175.900 0.191 0.000 1.220 78 Y CA -0.577 57.695 58.100 0.286 0.000 1.513 78 Y CB 0.371 38.989 38.460 0.264 0.000 1.435 78 Y HN 0.500 nan 8.280 nan 0.000 0.489 79 S N 1.003 116.883 115.700 0.300 0.000 2.608 79 S HA 0.857 5.327 4.470 -0.000 0.000 0.291 79 S C 0.001 174.717 174.600 0.192 0.000 1.146 79 S CA -0.926 57.394 58.200 0.200 0.000 1.043 79 S CB 1.670 64.950 63.200 0.133 0.000 1.037 79 S HN 0.591 nan 8.310 nan 0.000 0.520 80 A N 2.611 125.522 122.820 0.151 0.000 2.450 80 A HA 0.460 4.780 4.320 -0.000 0.000 0.255 80 A C 0.281 177.941 177.584 0.127 0.000 1.096 80 A CA -0.645 51.475 52.037 0.139 0.000 0.778 80 A CB -0.527 18.539 19.000 0.109 0.000 1.031 80 A HN 0.915 nan 8.150 nan 0.000 0.494 81 L N 3.805 125.115 121.223 0.145 0.000 2.448 81 L HA 0.117 4.457 4.340 -0.000 0.000 0.278 81 L C 1.741 178.663 176.870 0.086 0.000 1.201 81 L CA 0.107 55.022 54.840 0.125 0.000 1.036 81 L CB -0.491 41.663 42.059 0.160 0.000 1.325 81 L HN 0.985 nan 8.230 nan 0.000 0.441 82 T N -1.813 112.779 114.554 0.063 0.000 2.962 82 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 82 T C 1.754 176.468 174.700 0.023 0.000 1.088 82 T CA 0.874 62.999 62.100 0.041 0.000 1.127 82 T CB 0.077 68.964 68.868 0.032 0.000 0.883 82 T HN 0.582 nan 8.240 nan 0.000 0.493 83 A N 1.367 124.202 122.820 0.025 0.000 2.119 83 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 83 A C 2.293 179.881 177.584 0.006 0.000 1.153 83 A CA 0.398 52.441 52.037 0.009 0.000 0.692 83 A CB -0.139 18.866 19.000 0.008 0.000 0.799 83 A HN 0.356 nan 8.150 nan 0.000 0.458 84 R N -1.869 118.647 120.500 0.027 0.000 2.509 84 R HA 0.200 4.540 4.340 -0.000 0.000 0.297 84 R C 0.971 177.311 176.300 0.067 0.000 0.951 84 R CA 0.589 56.712 56.100 0.037 0.000 1.103 84 R CB -0.286 30.045 30.300 0.052 0.000 1.283 84 R HN 0.711 nan 8.270 nan 0.000 0.534 85 G N 2.356 111.183 108.800 0.045 0.000 2.273 85 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.280 85 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.280 85 G C 0.017 175.072 174.900 0.257 0.000 1.047 85 G CA 0.088 45.242 45.100 0.090 0.000 0.869 85 G HN 0.147 nan 8.290 nan 0.000 0.502 86 I N 1.563 122.229 120.570 0.159 0.000 2.339 86 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 86 I C 1.209 177.400 176.117 0.123 0.000 0.994 86 I CA -0.684 60.696 61.300 0.132 0.000 1.191 86 I CB 1.125 39.187 38.000 0.103 0.000 1.343 86 I HN 0.357 nan 8.210 nan 0.000 0.458 87 S N 5.508 121.274 115.700 0.110 0.000 2.600 87 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 87 S C 1.122 175.787 174.600 0.109 0.000 1.325 87 S CA -0.536 57.724 58.200 0.100 0.000 1.002 87 S CB 1.553 64.802 63.200 0.083 0.000 0.921 87 S HN 0.732 nan 8.310 nan 0.000 0.554 88 K N 0.636 121.100 120.400 0.107 0.000 2.057 88 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 88 K C 2.021 178.684 176.600 0.104 0.000 1.050 88 K CA 1.456 57.819 56.287 0.128 0.000 0.935 88 K CB -0.281 32.293 32.500 0.124 0.000 0.715 88 K HN 0.773 nan 8.250 nan 0.000 0.439 89 E N -0.171 120.073 120.200 0.072 0.000 2.160 89 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 89 E C 1.524 178.138 176.600 0.022 0.000 0.991 89 E CA 1.480 57.903 56.400 0.037 0.000 0.810 89 E CB 0.065 29.786 29.700 0.034 0.000 0.742 89 E HN 0.394 nan 8.360 nan 0.000 0.466 90 T N 0.029 114.615 114.554 0.053 0.000 2.639 90 T HA -0.166 4.184 4.350 -0.000 0.000 0.261 90 T C 1.991 176.736 174.700 0.076 0.000 1.053 90 T CA 1.357 63.493 62.100 0.059 0.000 1.158 90 T CB -0.460 68.452 68.868 0.073 0.000 0.863 90 T HN 0.334 nan 8.240 nan 0.000 0.413 91 C N 1.644 121.027 119.300 0.138 0.000 2.396 91 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 91 C C 2.882 177.920 174.990 0.080 0.000 1.231 91 C CA 0.640 59.803 59.018 0.241 0.000 1.775 91 C CB -1.156 26.802 27.740 0.364 0.000 2.036 91 C HN 0.563 nan 8.230 nan 0.000 0.484 92 Q N 0.744 120.456 119.800 -0.146 0.000 2.135 92 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 92 Q C 2.284 178.036 176.000 -0.412 0.000 0.981 92 Q CA 1.506 56.932 55.803 -0.628 0.000 0.856 92 Q CB -0.091 28.408 28.738 -0.398 0.000 0.902 92 Q HN 0.719 nan 8.270 nan 0.000 0.425 93 K N -0.722 119.582 120.400 -0.160 0.000 2.076 93 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 93 K C 1.911 178.465 176.600 -0.076 0.000 1.051 93 K CA 0.990 57.210 56.287 -0.111 0.000 0.949 93 K CB -0.024 32.429 32.500 -0.079 0.000 0.726 93 K HN 0.051 nan 8.250 nan 0.000 0.443 94 A N 1.084 123.903 122.820 -0.001 0.000 2.123 94 A HA 0.187 4.507 4.320 -0.000 0.000 0.214 94 A C 1.221 178.932 177.584 0.210 0.000 1.152 94 A CA 0.877 52.905 52.037 -0.015 0.000 0.728 94 A CB -0.253 18.769 19.000 0.038 0.000 0.814 94 A HN 0.433 nan 8.150 nan 0.000 0.464 95 G N -1.990 106.999 108.800 0.314 0.000 2.414 95 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.256 95 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.256 95 G C -0.371 174.993 174.900 0.774 0.000 1.128 95 G CA 0.090 45.506 45.100 0.527 0.000 0.944 95 G HN 0.646 nan 8.290 nan 0.000 0.500 96 Y N 2.536 123.154 120.300 0.529 0.000 2.721 96 Y HA 0.576 5.126 4.550 -0.000 0.000 0.328 96 Y C 0.490 176.709 175.900 0.532 0.000 1.003 96 Y CA -1.909 56.434 58.100 0.405 0.000 1.275 96 Y CB 0.131 38.741 38.460 0.249 0.000 1.097 96 Y HN 0.429 nan 8.280 nan 0.000 0.514 97 W N 5.777 127.164 121.300 0.144 0.000 2.578 97 W HA 0.694 5.354 4.660 -0.000 0.000 0.353 97 W C -1.835 174.571 176.519 -0.188 0.000 1.088 97 W CA -1.790 55.597 57.345 0.071 0.000 1.235 97 W CB 0.712 30.146 29.460 -0.043 0.000 1.362 97 W HN 0.244 nan 8.180 nan 0.000 0.592 98 I N 2.780 123.321 120.570 -0.047 0.000 2.388 98 I HA 0.397 4.567 4.170 -0.000 0.000 0.281 98 I C 0.723 176.763 176.117 -0.127 0.000 1.046 98 I CA -0.374 60.814 61.300 -0.187 0.000 1.187 98 I CB 0.523 38.484 38.000 -0.064 0.000 1.351 98 I HN 0.529 nan 8.210 nan 0.000 0.472 99 A N 6.422 129.075 122.820 -0.279 0.000 2.250 99 A HA 0.884 5.204 4.320 -0.000 0.000 0.283 99 A C 0.013 177.594 177.584 -0.005 0.000 1.206 99 A CA -0.441 51.549 52.037 -0.078 0.000 0.840 99 A CB 0.618 19.567 19.000 -0.085 0.000 1.220 99 A HN 0.611 nan 8.150 nan 0.000 0.505 100 K N -0.060 120.337 120.400 -0.005 0.000 2.707 100 K HA 0.460 4.780 4.320 -0.000 0.000 0.283 100 K C -1.901 174.668 176.600 -0.052 0.000 1.105 100 K CA -0.396 55.917 56.287 0.042 0.000 1.018 100 K CB 0.609 33.130 32.500 0.034 0.000 1.315 100 K HN 0.262 nan 8.250 nan 0.000 0.495 101 V N 1.610 121.456 119.914 -0.113 0.000 2.483 101 V HA 0.178 4.298 4.120 -0.000 0.000 0.295 101 V C 0.379 176.423 176.094 -0.084 0.000 1.035 101 V CA -0.201 61.956 62.300 -0.238 0.000 0.896 101 V CB 1.048 32.524 31.823 -0.580 0.000 0.986 101 V HN 0.918 nan 8.190 nan 0.000 0.447 102 D N 3.069 123.421 120.400 -0.080 0.000 3.070 102 D HA -0.198 4.442 4.640 -0.000 0.000 0.220 102 D C 1.126 177.437 176.300 0.019 0.000 1.176 102 D CA 2.065 56.049 54.000 -0.027 0.000 0.924 102 D CB -0.942 39.846 40.800 -0.020 0.000 1.124 102 D HN 1.280 nan 8.370 nan 0.000 0.411 103 G N -2.717 106.102 108.800 0.032 0.000 3.180 103 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.197 103 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.197 103 G C 0.143 175.078 174.900 0.059 0.000 1.149 103 G CA -0.194 44.928 45.100 0.037 0.000 0.847 103 G HN 0.466 nan 8.290 nan 0.000 0.469 104 V N 3.015 123.006 119.914 0.128 0.000 2.743 104 V HA 0.677 4.797 4.120 -0.000 0.000 0.301 104 V C 0.630 176.819 176.094 0.157 0.000 1.057 104 V CA -0.011 62.338 62.300 0.081 0.000 1.006 104 V CB 1.684 33.498 31.823 -0.015 0.000 1.024 104 V HN 0.563 nan 8.190 nan 0.000 0.473 105 M N 5.370 124.958 119.600 -0.020 0.000 2.061 105 M HA 0.460 4.940 4.480 -0.000 0.000 0.346 105 M C -1.910 174.345 176.300 -0.076 0.000 1.112 105 M CA -0.272 55.043 55.300 0.024 0.000 1.021 105 M CB 0.447 33.029 32.600 -0.030 0.000 1.530 105 M HN 0.587 nan 8.290 nan 0.000 0.437 106 Y N 2.410 122.645 120.300 -0.108 0.000 2.387 106 Y HA 0.391 4.941 4.550 -0.000 0.000 0.330 106 Y C -0.053 175.640 175.900 -0.345 0.000 1.133 106 Y CA -0.594 57.390 58.100 -0.193 0.000 1.152 106 Y CB 1.235 39.624 38.460 -0.118 0.000 1.215 106 Y HN 0.581 nan 8.280 nan 0.000 0.466 107 Q N 1.891 121.515 119.800 -0.293 0.000 2.331 107 Q HA 0.532 4.872 4.340 -0.000 0.000 0.257 107 Q C -1.445 174.149 176.000 -0.677 0.000 0.957 107 Q CA -0.542 54.949 55.803 -0.519 0.000 0.923 107 Q CB 0.823 29.310 28.738 -0.419 0.000 1.212 107 Q HN 0.538 nan 8.270 nan 0.000 0.443 108 V N 2.088 121.424 119.914 -0.963 0.000 2.370 108 V HA 0.691 4.811 4.120 -0.000 0.000 0.283 108 V C -0.217 175.515 176.094 -0.603 0.000 1.023 108 V CA -0.992 60.753 62.300 -0.926 0.000 0.857 108 V CB 1.291 32.217 31.823 -1.496 0.000 0.985 108 V HN 0.785 nan 8.190 nan 0.000 0.443 109 A N 3.004 125.704 122.820 -0.199 0.000 2.260 109 A HA 0.642 4.962 4.320 -0.000 0.000 0.314 109 A C -0.470 177.263 177.584 0.249 0.000 1.257 109 A CA -0.462 51.605 52.037 0.051 0.000 0.871 109 A CB 0.329 19.253 19.000 -0.127 0.000 1.166 109 A HN 0.765 nan 8.150 nan 0.000 0.522 110 D N 1.958 122.623 120.400 0.443 0.000 2.396 110 D HA 0.338 4.978 4.640 -0.000 0.000 0.225 110 D C -1.149 175.398 176.300 0.411 0.000 1.121 110 D CA 0.559 54.842 54.000 0.472 0.000 0.853 110 D CB 0.359 41.454 40.800 0.492 0.000 1.043 110 D HN 0.419 nan 8.370 nan 0.000 0.500 111 Y N 2.759 123.263 120.300 0.339 0.000 2.425 111 Y HA 0.259 4.810 4.550 0.001 0.000 0.347 111 Y C 0.984 176.982 175.900 0.164 0.000 0.976 111 Y CA -0.430 57.859 58.100 0.315 0.000 1.190 111 Y CB 0.654 39.310 38.460 0.326 0.000 1.136 111 Y HN 0.045 nan 8.280 nan 0.000 0.517 112 R N 1.420 122.018 120.500 0.163 0.000 2.778 112 R HA 0.447 4.787 4.340 -0.000 0.000 0.277 112 R C -0.920 175.415 176.300 0.058 0.000 0.977 112 R CA -1.211 54.901 56.100 0.021 0.000 0.950 112 R CB 1.247 31.386 30.300 -0.268 0.000 1.165 112 R HN 0.517 nan 8.270 nan 0.000 0.474 113 D N 0.957 121.380 120.400 0.039 0.000 2.393 113 D HA -0.058 4.582 4.640 -0.000 0.000 0.246 113 D C 0.611 176.934 176.300 0.038 0.000 1.275 113 D CA -0.404 53.613 54.000 0.029 0.000 0.979 113 D CB 0.495 41.309 40.800 0.023 0.000 1.101 113 D HN 0.541 nan 8.370 nan 0.000 0.505 114 Q N -0.908 118.908 119.800 0.025 0.000 2.368 114 Q HA -0.146 4.194 4.340 -0.000 0.000 0.210 114 Q C 1.307 177.342 176.000 0.059 0.000 0.982 114 Q CA 0.674 56.512 55.803 0.059 0.000 0.884 114 Q CB -0.240 28.544 28.738 0.076 0.000 0.933 114 Q HN 0.508 nan 8.270 nan 0.000 0.460 115 N N -0.951 117.771 118.700 0.037 0.000 2.463 115 N HA -0.070 4.670 4.740 -0.000 0.000 0.181 115 N C 1.037 176.554 175.510 0.011 0.000 1.078 115 N CA 0.872 53.937 53.050 0.024 0.000 0.902 115 N CB 0.562 39.059 38.487 0.018 0.000 0.970 115 N HN 0.403 nan 8.380 nan 0.000 0.451 116 G N 0.593 109.393 108.800 -0.000 0.000 2.284 116 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 116 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 116 G C -0.138 174.699 174.900 -0.105 0.000 1.009 116 G CA -0.309 44.756 45.100 -0.057 0.000 0.625 116 G HN 0.401 nan 8.290 nan 0.000 0.501 117 N N 1.776 120.449 118.700 -0.046 0.000 2.492 117 N HA 0.286 5.026 4.740 -0.000 0.000 0.262 117 N C 0.466 175.966 175.510 -0.016 0.000 1.202 117 N CA 0.160 53.194 53.050 -0.027 0.000 0.926 117 N CB 1.123 39.610 38.487 0.000 0.000 1.078 117 N HN 0.365 nan 8.380 nan 0.000 0.454 118 I N 2.051 122.625 120.570 0.006 0.000 2.494 118 I HA -0.069 4.101 4.170 -0.000 0.000 0.289 118 I C 1.316 177.491 176.117 0.097 0.000 1.106 118 I CA -0.238 61.099 61.300 0.061 0.000 1.369 118 I CB 0.483 38.540 38.000 0.095 0.000 1.410 118 I HN 0.353 nan 8.210 nan 0.000 0.523 119 V N 3.797 123.786 119.914 0.125 0.000 3.307 119 V HA 0.053 4.173 4.120 -0.000 0.000 0.253 119 V C 0.719 176.906 176.094 0.156 0.000 1.149 119 V CA 0.486 62.860 62.300 0.124 0.000 1.112 119 V CB -0.479 31.410 31.823 0.109 0.000 0.777 119 V HN 0.895 nan 8.190 nan 0.000 0.464 120 S N -1.091 114.734 115.700 0.209 0.000 2.587 120 S HA 0.695 5.165 4.470 -0.000 0.000 0.269 120 S C -1.339 173.390 174.600 0.214 0.000 1.154 120 S CA -0.813 57.501 58.200 0.190 0.000 0.824 120 S CB 2.578 65.916 63.200 0.229 0.000 1.118 120 S HN 0.150 nan 8.310 nan 0.000 0.462 121 Q N 0.076 119.913 119.800 0.061 0.000 2.375 121 Q HA 0.568 4.908 4.340 -0.000 0.000 0.271 121 Q C -1.558 174.337 176.000 -0.175 0.000 1.074 121 Q CA -0.520 55.304 55.803 0.035 0.000 0.808 121 Q CB 2.259 30.975 28.738 -0.037 0.000 1.327 121 Q HN 0.592 nan 8.270 nan 0.000 0.441 122 K N 2.079 122.430 120.400 -0.082 0.000 2.425 122 K HA 0.459 4.779 4.320 -0.000 0.000 0.259 122 K C -1.327 175.172 176.600 -0.169 0.000 0.978 122 K CA -0.415 55.785 56.287 -0.146 0.000 0.883 122 K CB 1.314 33.799 32.500 -0.025 0.000 1.110 122 K HN 0.382 nan 8.250 nan 0.000 0.436 123 V N 3.447 123.172 119.914 -0.315 0.000 2.532 123 V HA 0.479 4.599 4.120 -0.000 0.000 0.295 123 V C -0.141 175.725 176.094 -0.381 0.000 1.041 123 V CA -0.945 61.075 62.300 -0.467 0.000 0.926 123 V CB 1.448 32.752 31.823 -0.864 0.000 0.992 123 V HN 0.734 nan 8.190 nan 0.000 0.457 124 R N 2.051 122.302 120.500 -0.415 0.000 2.711 124 R HA 0.750 5.090 4.340 -0.000 0.000 0.284 124 R C -1.132 174.923 176.300 -0.408 0.000 0.968 124 R CA -0.613 55.153 56.100 -0.555 0.000 0.924 124 R CB 1.569 31.510 30.300 -0.598 0.000 1.162 124 R HN 0.788 nan 8.270 nan 0.000 0.465 125 D N 1.711 121.823 120.400 -0.480 0.000 2.350 125 D HA 0.216 4.856 4.640 -0.000 0.000 0.238 125 D C 0.390 176.462 176.300 -0.381 0.000 0.989 125 D CA -0.883 52.780 54.000 -0.561 0.000 0.921 125 D CB 1.307 41.648 40.800 -0.765 0.000 1.297 125 D HN 0.733 nan 8.370 nan 0.000 0.490 126 K N 1.965 122.169 120.400 -0.326 0.000 2.044 126 K HA -0.339 3.981 4.320 -0.000 0.000 0.224 126 K C 0.555 177.050 176.600 -0.175 0.000 1.056 126 K CA 2.383 58.541 56.287 -0.214 0.000 0.962 126 K CB -1.371 31.023 32.500 -0.177 0.000 0.730 126 K HN 0.498 nan 8.250 nan 0.000 0.453 127 D N 1.064 121.367 120.400 -0.163 0.000 2.403 127 D HA -0.031 4.609 4.640 -0.000 0.000 0.227 127 D C 0.061 176.303 176.300 -0.098 0.000 0.995 127 D CA 0.852 54.786 54.000 -0.111 0.000 0.928 127 D CB -0.021 40.725 40.800 -0.090 0.000 0.887 127 D HN 0.421 nan 8.370 nan 0.000 0.529 128 K N -1.576 118.738 120.400 -0.144 0.000 3.287 128 K HA -0.098 4.222 4.320 -0.000 0.000 0.268 128 K C -0.524 176.028 176.600 -0.079 0.000 1.339 128 K CA -0.102 56.119 56.287 -0.110 0.000 0.800 128 K CB -1.124 31.357 32.500 -0.031 0.000 1.744 128 K HN 0.098 nan 8.250 nan 0.000 0.526 129 N N -0.304 118.303 118.700 -0.156 0.000 2.448 129 N HA 0.646 5.386 4.740 -0.000 0.000 0.274 129 N C -0.313 175.045 175.510 -0.254 0.000 1.239 129 N CA 0.137 53.142 53.050 -0.074 0.000 0.982 129 N CB 0.461 38.906 38.487 -0.070 0.000 1.199 129 N HN -0.005 nan 8.380 nan 0.000 0.576 130 F N -0.354 119.542 119.950 -0.089 0.000 2.790 130 F HA 0.530 5.057 4.527 -0.000 0.000 0.337 130 F C -0.522 175.182 175.800 -0.160 0.000 1.163 130 F CA -0.580 57.342 58.000 -0.130 0.000 0.997 130 F CB 1.450 40.364 39.000 -0.143 0.000 1.437 130 F HN 0.117 nan 8.300 nan 0.000 0.512 131 K N 0.327 120.714 120.400 -0.022 0.000 2.579 131 K HA 0.283 4.603 4.320 -0.000 0.000 0.283 131 K C -1.396 174.984 176.600 -0.366 0.000 1.069 131 K CA -0.364 55.764 56.287 -0.264 0.000 0.977 131 K CB 1.822 34.115 32.500 -0.346 0.000 1.334 131 K HN 0.561 nan 8.250 nan 0.000 0.462 132 T N 1.613 115.946 114.554 -0.367 0.000 2.753 132 T HA 0.332 4.682 4.350 -0.000 0.000 0.297 132 T C 0.008 174.525 174.700 -0.304 0.000 0.981 132 T CA -0.273 61.615 62.100 -0.353 0.000 0.956 132 T CB 0.420 69.088 68.868 -0.334 0.000 0.936 132 T HN 0.547 nan 8.240 nan 0.000 0.463 133 T N 2.793 117.180 114.554 -0.279 0.000 2.874 133 T HA 0.693 5.043 4.350 -0.000 0.000 0.281 133 T C 1.029 175.741 174.700 0.020 0.000 0.994 133 T CA 0.612 62.655 62.100 -0.096 0.000 1.015 133 T CB 0.646 69.449 68.868 -0.109 0.000 1.028 133 T HN 1.606 nan 8.240 nan 0.000 0.523 134 G N 1.553 110.420 108.800 0.112 0.000 2.562 134 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.250 134 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.250 134 G C -0.181 174.787 174.900 0.114 0.000 1.269 134 G CA -0.156 45.015 45.100 0.119 0.000 0.919 134 G HN 1.375 nan 8.290 nan 0.000 0.574 135 S N -0.008 115.762 115.700 0.115 0.000 2.601 135 S HA 0.449 4.919 4.470 -0.000 0.000 0.312 135 S C -0.407 174.281 174.600 0.146 0.000 1.107 135 S CA -0.349 57.920 58.200 0.115 0.000 1.129 135 S CB 1.117 64.369 63.200 0.087 0.000 0.982 135 S HN 0.777 nan 8.310 nan 0.000 0.469 136 H N 3.688 122.767 119.070 0.015 0.000 3.216 136 H HA 0.216 4.772 4.556 -0.000 0.000 0.263 136 H C 0.531 175.913 175.328 0.090 0.000 1.601 136 H CA 0.100 56.141 56.048 -0.013 0.000 1.509 136 H CB -0.219 29.492 29.762 -0.085 0.000 1.759 136 H HN 0.359 nan 8.280 nan 0.000 0.533 137 K N 1.350 121.748 120.400 -0.004 0.000 2.276 137 K HA 0.011 4.331 4.320 -0.000 0.000 0.259 137 K C 1.116 177.702 176.600 -0.023 0.000 1.001 137 K CA 0.109 56.394 56.287 -0.004 0.000 0.927 137 K CB 0.828 33.328 32.500 0.001 0.000 0.969 137 K HN 0.514 nan 8.250 nan 0.000 0.490 138 S N 1.175 116.839 115.700 -0.060 0.000 2.584 138 S HA -0.120 4.350 4.470 -0.000 0.000 0.240 138 S C 0.819 175.389 174.600 -0.051 0.000 0.975 138 S CA 1.177 59.298 58.200 -0.133 0.000 0.949 138 S CB -0.264 62.866 63.200 -0.118 0.000 0.761 138 S HN 0.663 nan 8.310 nan 0.000 0.536 139 D N 0.590 120.982 120.400 -0.013 0.000 2.501 139 D HA 0.259 4.899 4.640 -0.000 0.000 0.224 139 D C 0.186 176.482 176.300 -0.007 0.000 1.202 139 D CA -0.355 53.647 54.000 0.004 0.000 0.829 139 D CB -0.128 40.668 40.800 -0.006 0.000 1.023 139 D HN 0.175 nan 8.370 nan 0.000 0.499 140 A N 1.052 123.853 122.820 -0.032 0.000 2.520 140 A HA 0.424 4.744 4.320 -0.000 0.000 0.245 140 A C -0.119 177.531 177.584 0.111 0.000 1.072 140 A CA 0.038 52.040 52.037 -0.059 0.000 0.761 140 A CB 0.217 18.892 19.000 -0.541 0.000 1.004 140 A HN 0.440 nan 8.150 nan 0.000 0.499 141 L N 3.189 124.531 121.223 0.198 0.000 2.404 141 L HA 0.317 4.657 4.340 -0.000 0.000 0.272 141 L C -0.898 176.144 176.870 0.287 0.000 0.980 141 L CA -0.517 54.464 54.840 0.236 0.000 0.836 141 L CB 1.665 43.736 42.059 0.021 0.000 1.238 141 L HN 0.845 nan 8.230 nan 0.000 0.408 142 F N 3.689 123.725 119.950 0.143 0.000 2.466 142 F HA 0.531 5.058 4.527 -0.000 0.000 0.363 142 F C 0.984 176.764 175.800 -0.032 0.000 1.109 142 F CA 0.675 58.508 58.000 -0.279 0.000 1.161 142 F CB 0.654 39.261 39.000 -0.655 0.000 1.117 142 F HN 0.717 nan 8.300 nan 0.000 0.539 143 G N 5.111 113.517 108.800 -0.656 0.000 2.253 143 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.209 143 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.209 143 G C 1.388 176.121 174.900 -0.279 0.000 0.997 143 G CA 0.207 44.971 45.100 -0.559 0.000 0.640 143 G HN 0.777 nan 8.290 nan 0.000 0.496 144 K N 0.991 121.338 120.400 -0.088 0.000 2.107 144 K HA -0.280 4.040 4.320 -0.000 0.000 0.211 144 K C 2.127 178.670 176.600 -0.095 0.000 1.049 144 K CA 2.453 58.692 56.287 -0.081 0.000 0.927 144 K CB -0.457 31.848 32.500 -0.325 0.000 0.714 144 K HN 0.827 nan 8.250 nan 0.000 0.452 145 H N -0.637 118.324 119.070 -0.181 0.000 2.545 145 H HA 0.027 4.583 4.556 0.000 0.000 0.282 145 H C 1.793 176.962 175.328 -0.264 0.000 1.020 145 H CA 0.994 56.948 56.048 -0.156 0.000 1.243 145 H CB -0.198 29.486 29.762 -0.131 0.000 1.377 145 H HN 0.188 nan 8.280 nan 0.000 0.581 146 L N -0.957 119.604 121.223 -1.104 0.000 2.131 146 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 146 L C 0.092 176.385 176.870 -0.961 0.000 1.087 146 L CA 0.324 54.341 54.840 -1.372 0.000 0.767 146 L CB -0.180 40.589 42.059 -2.150 0.000 0.917 146 L HN 0.331 nan 8.230 nan 0.000 0.441 147 W N -0.379 120.961 121.300 0.067 0.000 2.471 147 W HA 0.422 5.082 4.660 -0.000 0.000 0.318 147 W C -0.529 176.128 176.519 0.230 0.000 1.034 147 W CA -0.628 56.834 57.345 0.195 0.000 1.224 147 W CB 0.335 30.003 29.460 0.346 0.000 1.335 147 W HN -0.226 nan 8.180 nan 0.000 0.452 148 N N 2.701 121.544 118.700 0.238 0.000 2.776 148 N HA 0.589 5.329 4.740 -0.000 0.000 0.245 148 N C -0.067 175.358 175.510 -0.142 0.000 1.121 148 N CA 0.252 53.325 53.050 0.038 0.000 0.852 148 N CB 1.006 39.523 38.487 0.050 0.000 1.142 148 N HN 0.838 nan 8.380 nan 0.000 0.514 149 G N 0.307 108.791 108.800 -0.526 0.000 2.612 149 G HA2 0.412 4.372 3.960 -0.000 0.000 0.686 149 G HA3 0.412 4.372 3.960 -0.000 0.000 0.686 149 G C -0.286 174.432 174.900 -0.304 0.000 1.274 149 G CA -0.539 44.188 45.100 -0.621 0.000 0.849 149 G HN 0.851 nan 8.290 nan 0.000 0.595 150 G N -1.110 107.626 108.800 -0.106 0.000 2.352 150 G HA2 0.520 4.480 3.960 -0.000 0.000 0.302 150 G HA3 0.520 4.480 3.960 -0.000 0.000 0.302 150 G C 0.229 175.265 174.900 0.226 0.000 1.370 150 G CA 0.438 45.676 45.100 0.229 0.000 0.918 150 G HN 0.881 nan 8.290 nan 0.000 0.610 151 K N -0.476 120.027 120.400 0.170 0.000 2.365 151 K HA 0.138 4.458 4.320 -0.000 0.000 0.197 151 K C 0.534 177.175 176.600 0.067 0.000 1.042 151 K CA 0.829 57.172 56.287 0.093 0.000 0.987 151 K CB 0.071 32.598 32.500 0.045 0.000 0.779 151 K HN 0.413 nan 8.250 nan 0.000 0.484 152 K N 0.653 121.087 120.400 0.058 0.000 2.592 152 K HA 0.205 4.525 4.320 -0.000 0.000 0.259 152 K C -2.117 174.304 176.600 -0.299 0.000 0.937 152 K CA -0.360 55.866 56.287 -0.102 0.000 0.874 152 K CB 1.359 33.790 32.500 -0.115 0.000 1.339 152 K HN -0.041 nan 8.250 nan 0.000 0.425 153 I N 5.043 125.317 120.570 -0.495 0.000 2.468 153 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 153 I C -0.706 175.143 176.117 -0.446 0.000 1.039 153 I CA -0.898 59.981 61.300 -0.702 0.000 1.074 153 I CB 1.610 38.760 38.000 -1.417 0.000 1.228 153 I HN 0.336 nan 8.210 nan 0.000 0.436 154 V N 7.717 127.425 119.914 -0.343 0.000 2.715 154 V HA 0.163 4.283 4.120 -0.000 0.000 0.299 154 V C 0.068 176.072 176.094 -0.150 0.000 1.054 154 V CA -0.144 62.020 62.300 -0.227 0.000 1.077 154 V CB 1.441 33.160 31.823 -0.173 0.000 0.972 154 V HN 0.468 nan 8.190 nan 0.000 0.484 155 V N 4.579 124.445 119.914 -0.081 0.000 2.409 155 V HA 0.433 4.553 4.120 -0.000 0.000 0.290 155 V C 0.231 176.477 176.094 0.252 0.000 1.017 155 V CA -0.351 61.998 62.300 0.082 0.000 0.841 155 V CB 2.108 33.950 31.823 0.031 0.000 1.003 155 V HN 1.084 nan 8.190 nan 0.000 0.426 156 T N 0.295 114.974 114.554 0.208 0.000 2.943 156 T HA 0.439 4.789 4.350 -0.000 0.000 0.284 156 T C 0.925 175.665 174.700 0.068 0.000 1.015 156 T CA -0.233 61.982 62.100 0.191 0.000 1.042 156 T CB 2.140 71.077 68.868 0.114 0.000 1.055 156 T HN 0.653 nan 8.240 nan 0.000 0.500 157 E N 1.838 122.012 120.200 -0.044 0.000 2.017 157 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 157 E C 1.003 177.556 176.600 -0.079 0.000 0.997 157 E CA 1.302 57.569 56.400 -0.223 0.000 0.804 157 E CB -0.644 28.953 29.700 -0.172 0.000 0.757 157 E HN 0.875 nan 8.360 nan 0.000 0.448 158 G N -1.201 107.594 108.800 -0.008 0.000 2.644 158 G HA2 0.225 4.185 3.960 -0.000 0.000 0.307 158 G HA3 0.225 4.185 3.960 -0.000 0.000 0.307 158 G C -0.282 174.638 174.900 0.034 0.000 1.250 158 G CA -0.265 44.846 45.100 0.019 0.000 0.996 158 G HN 0.145 nan 8.290 nan 0.000 0.489 159 E N -0.444 119.736 120.200 -0.033 0.000 2.058 159 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 159 E C 2.381 178.876 176.600 -0.174 0.000 0.997 159 E CA 0.973 57.256 56.400 -0.195 0.000 0.801 159 E CB 0.000 29.365 29.700 -0.559 0.000 0.746 159 E HN 0.397 nan 8.360 nan 0.000 0.450 160 I N 1.517 121.975 120.570 -0.188 0.000 2.226 160 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 160 I C 1.626 177.706 176.117 -0.061 0.000 1.100 160 I CA 1.392 62.584 61.300 -0.180 0.000 1.374 160 I CB -0.723 37.208 38.000 -0.115 0.000 1.057 160 I HN 0.177 nan 8.210 nan 0.000 0.413 161 D N 0.372 120.765 120.400 -0.012 0.000 2.144 161 D HA -0.183 4.457 4.640 -0.000 0.000 0.200 161 D C 2.170 178.492 176.300 0.036 0.000 0.978 161 D CA 0.886 54.897 54.000 0.019 0.000 0.833 161 D CB -0.014 40.806 40.800 0.034 0.000 0.961 161 D HN 0.222 nan 8.370 nan 0.000 0.470 162 M N 1.023 120.671 119.600 0.080 0.000 2.065 162 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 162 M C 2.126 178.485 176.300 0.098 0.000 1.069 162 M CA 1.119 56.495 55.300 0.126 0.000 1.110 162 M CB -0.633 32.127 32.600 0.266 0.000 1.328 162 M HN -0.004 nan 8.290 nan 0.000 0.405 163 L N -0.182 121.095 121.223 0.090 0.000 2.137 163 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 163 L C 2.233 179.109 176.870 0.011 0.000 1.085 163 L CA 1.991 56.861 54.840 0.050 0.000 0.760 163 L CB -1.646 40.392 42.059 -0.035 0.000 0.893 163 L HN 0.409 nan 8.230 nan 0.000 0.434 164 T N -0.450 114.096 114.554 -0.012 0.000 2.668 164 T HA -0.131 4.219 4.350 -0.000 0.000 0.262 164 T C 2.066 176.700 174.700 -0.111 0.000 1.045 164 T CA 1.193 63.248 62.100 -0.074 0.000 1.152 164 T CB -0.295 68.546 68.868 -0.044 0.000 0.864 164 T HN 0.068 nan 8.240 nan 0.000 0.419 165 V N 1.887 121.764 119.914 -0.062 0.000 2.392 165 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 165 V C 2.434 178.509 176.094 -0.032 0.000 1.059 165 V CA 1.355 63.616 62.300 -0.065 0.000 1.051 165 V CB -0.620 31.168 31.823 -0.058 0.000 0.658 165 V HN 0.510 nan 8.190 nan 0.000 0.455 166 M N -1.074 118.530 119.600 0.007 0.000 2.706 166 M HA -0.104 4.376 4.480 -0.000 0.000 0.251 166 M C 1.808 178.129 176.300 0.035 0.000 1.070 166 M CA 1.244 56.577 55.300 0.054 0.000 1.073 166 M CB -0.256 32.401 32.600 0.095 0.000 1.449 166 M HN 0.466 nan 8.290 nan 0.000 0.531 167 E N 0.107 120.295 120.200 -0.020 0.000 2.175 167 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 167 E C 1.882 178.460 176.600 -0.037 0.000 0.962 167 E CA 0.194 56.572 56.400 -0.037 0.000 0.981 167 E CB -0.220 29.409 29.700 -0.117 0.000 1.093 167 E HN 0.363 nan 8.360 nan 0.000 0.483 168 L N 1.317 122.466 121.223 -0.124 0.000 2.302 168 L HA -0.250 4.090 4.340 -0.000 0.000 0.218 168 L C 1.980 178.855 176.870 0.008 0.000 1.100 168 L CA 1.361 56.150 54.840 -0.086 0.000 0.774 168 L CB -0.482 41.494 42.059 -0.138 0.000 0.896 168 L HN 0.159 nan 8.230 nan 0.000 0.439 169 Q N -1.076 118.748 119.800 0.040 0.000 2.247 169 Q HA 0.011 4.351 4.340 -0.000 0.000 0.211 169 Q C -0.147 175.932 176.000 0.133 0.000 0.861 169 Q CA -0.056 55.825 55.803 0.130 0.000 0.949 169 Q CB 0.538 29.384 28.738 0.180 0.000 1.115 169 Q HN 0.246 nan 8.270 nan 0.000 0.507 170 D N -0.589 119.858 120.400 0.078 0.000 2.800 170 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 170 D C -0.496 175.839 176.300 0.058 0.000 1.137 170 D CA 0.559 54.597 54.000 0.064 0.000 0.718 170 D CB -1.682 39.159 40.800 0.068 0.000 1.084 170 D HN 0.492 nan 8.370 nan 0.000 0.432 171 C N -1.367 117.978 119.300 0.075 0.000 4.185 171 C HA -0.260 4.200 4.460 -0.000 0.000 0.297 171 C C 1.723 176.771 174.990 0.097 0.000 1.463 171 C CA 1.202 60.286 59.018 0.110 0.000 2.032 171 C CB -2.112 25.682 27.740 0.089 0.000 1.282 171 C HN 0.592 nan 8.230 nan 0.000 0.770 172 K N -1.702 118.688 120.400 -0.016 0.000 2.374 172 K HA 0.239 4.559 4.320 -0.000 0.000 0.196 172 K C 0.145 176.312 176.600 -0.722 0.000 1.023 172 K CA 0.679 56.776 56.287 -0.317 0.000 1.103 172 K CB 0.398 32.628 32.500 -0.450 0.000 0.848 172 K HN 0.682 nan 8.250 nan 0.000 0.528 173 Y N -0.385 119.879 120.300 -0.060 0.000 2.705 173 Y HA 0.357 4.906 4.550 -0.000 0.000 0.332 173 Y C -2.604 172.747 175.900 -0.915 0.000 1.157 173 Y CA -2.907 55.016 58.100 -0.294 0.000 1.091 173 Y CB 1.309 39.659 38.460 -0.184 0.000 1.301 173 Y HN -0.231 nan 8.280 nan 0.000 0.488 174 P HA 0.461 nan 4.420 nan 0.000 0.298 174 P C -1.662 174.942 177.300 -1.159 0.000 1.314 174 P CA -0.523 61.284 63.100 -2.155 0.000 0.854 174 P CB 1.516 32.230 31.700 -1.644 0.000 1.019 175 V N 2.334 121.747 119.914 -0.835 0.000 2.686 175 V HA 0.754 4.874 4.120 -0.000 0.000 0.306 175 V C 0.022 176.222 176.094 0.177 0.000 1.065 175 V CA -1.048 61.138 62.300 -0.189 0.000 0.894 175 V CB 1.823 33.613 31.823 -0.054 0.000 1.004 175 V HN 0.458 nan 8.190 nan 0.000 0.424 176 V N 0.373 120.395 119.914 0.180 0.000 3.040 176 V HA 1.017 5.137 4.120 -0.000 0.000 0.312 176 V C -0.151 176.093 176.094 0.250 0.000 1.115 176 V CA -0.306 62.149 62.300 0.259 0.000 0.998 176 V CB 1.967 34.011 31.823 0.369 0.000 1.042 176 V HN 1.320 nan 8.190 nan 0.000 0.433 177 S N 2.886 118.766 115.700 0.299 0.000 2.568 177 S HA 0.708 5.178 4.470 -0.000 0.000 0.302 177 S C -0.371 174.408 174.600 0.297 0.000 1.082 177 S CA -0.869 57.505 58.200 0.289 0.000 1.009 177 S CB 1.455 64.839 63.200 0.306 0.000 1.069 177 S HN 0.954 nan 8.310 nan 0.000 0.500 178 L N 3.139 124.477 121.223 0.192 0.000 2.525 178 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 178 L C 1.878 178.867 176.870 0.198 0.000 1.218 178 L CA 0.242 55.181 54.840 0.166 0.000 0.878 178 L CB 0.165 42.223 42.059 -0.001 0.000 1.127 178 L HN 1.103 nan 8.230 nan 0.000 0.492 179 G N 1.507 110.414 108.800 0.177 0.000 2.403 179 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 179 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 179 G C 1.048 175.732 174.900 -0.360 0.000 1.154 179 G CA 0.260 45.337 45.100 -0.040 0.000 0.784 179 G HN 0.842 nan 8.290 nan 0.000 0.538 180 H N -0.269 118.803 119.070 0.003 0.000 2.916 180 H HA 0.241 4.797 4.556 0.000 0.000 0.262 180 H C 2.022 177.321 175.328 -0.048 0.000 1.178 180 H CA -0.202 55.831 56.048 -0.025 0.000 1.090 180 H CB 0.553 30.293 29.762 -0.037 0.000 1.657 180 H HN 0.365 nan 8.280 nan 0.000 0.601 181 G N 2.458 111.283 108.800 0.042 0.000 2.679 181 G HA2 -0.517 3.443 3.960 -0.000 0.000 0.373 181 G HA3 -0.517 3.443 3.960 -0.000 0.000 0.373 181 G C 1.528 176.363 174.900 -0.107 0.000 1.114 181 G CA 2.277 47.335 45.100 -0.070 0.000 0.898 181 G HN 0.608 nan 8.290 nan 0.000 0.648 182 A N -1.332 121.418 122.820 -0.117 0.000 2.444 182 A HA -0.333 3.987 4.320 -0.000 0.000 0.267 182 A C 2.754 180.309 177.584 -0.048 0.000 2.810 182 A CA 4.529 56.516 52.037 -0.084 0.000 1.029 182 A CB -1.570 17.398 19.000 -0.054 0.000 0.520 182 A HN 2.079 nan 8.150 nan 0.000 0.443 183 S N -0.705 114.985 115.700 -0.018 0.000 2.439 183 S HA 0.401 4.871 4.470 -0.000 0.000 0.224 183 S C 1.590 176.198 174.600 0.014 0.000 1.029 183 S CA 0.907 59.109 58.200 0.003 0.000 0.946 183 S CB -0.312 62.887 63.200 -0.001 0.000 0.797 183 S HN 1.575 nan 8.310 nan 0.000 0.504 184 A N 1.193 124.024 122.820 0.018 0.000 2.648 184 A HA 0.770 5.090 4.320 -0.000 0.000 0.269 184 A C 1.730 179.345 177.584 0.052 0.000 1.392 184 A CA 0.339 52.389 52.037 0.021 0.000 1.019 184 A CB -0.961 18.039 19.000 -0.000 0.000 1.009 184 A HN 0.502 nan 8.150 nan 0.000 0.565 185 A N 0.644 123.498 122.820 0.057 0.000 1.873 185 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 185 A C 2.057 179.732 177.584 0.151 0.000 1.186 185 A CA 1.913 54.015 52.037 0.108 0.000 0.616 185 A CB -0.329 18.760 19.000 0.147 0.000 0.823 185 A HN 0.530 nan 8.150 nan 0.000 0.442 186 K N -0.152 120.319 120.400 0.119 0.000 2.002 186 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 186 K C 2.243 178.906 176.600 0.105 0.000 1.048 186 K CA 1.880 58.235 56.287 0.113 0.000 0.930 186 K CB -0.173 32.376 32.500 0.082 0.000 0.714 186 K HN 0.364 nan 8.250 nan 0.000 0.438 187 K N -0.357 120.084 120.400 0.067 0.000 1.985 187 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 187 K C 2.189 178.832 176.600 0.071 0.000 1.047 187 K CA 1.967 58.281 56.287 0.044 0.000 0.932 187 K CB -0.415 32.077 32.500 -0.013 0.000 0.716 187 K HN 0.179 nan 8.250 nan 0.000 0.439 188 T N 0.643 115.246 114.554 0.081 0.000 2.737 188 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 188 T C 1.945 176.763 174.700 0.198 0.000 1.040 188 T CA 1.366 63.542 62.100 0.127 0.000 1.142 188 T CB -0.257 68.715 68.868 0.174 0.000 0.861 188 T HN 0.345 nan 8.240 nan 0.000 0.456 189 C N 0.799 120.247 119.300 0.246 0.000 2.508 189 C HA 0.233 4.693 4.460 -0.000 0.000 0.280 189 C C 3.137 178.326 174.990 0.332 0.000 1.262 189 C CA 0.495 59.730 59.018 0.363 0.000 1.706 189 C CB -1.268 26.668 27.740 0.327 0.000 2.078 189 C HN 0.654 nan 8.230 nan 0.000 0.480 190 A N 0.120 123.084 122.820 0.241 0.000 2.019 190 A HA 0.072 4.392 4.320 -0.000 0.000 0.219 190 A C 2.232 179.927 177.584 0.186 0.000 1.164 190 A CA 1.834 54.004 52.037 0.222 0.000 0.644 190 A CB -0.730 18.353 19.000 0.139 0.000 0.805 190 A HN 0.660 nan 8.150 nan 0.000 0.449 191 A N -0.431 122.476 122.820 0.143 0.000 2.070 191 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 191 A C 1.528 179.181 177.584 0.114 0.000 1.159 191 A CA 1.556 53.654 52.037 0.101 0.000 0.656 191 A CB -0.287 18.750 19.000 0.063 0.000 0.800 191 A HN 0.476 nan 8.150 nan 0.000 0.453 192 N N -2.197 116.600 118.700 0.160 0.000 2.235 192 N HA 0.110 4.850 4.740 -0.000 0.000 0.231 192 N C 0.624 176.263 175.510 0.215 0.000 1.177 192 N CA -0.221 52.889 53.050 0.099 0.000 0.874 192 N CB -0.001 38.410 38.487 -0.128 0.000 1.097 192 N HN 0.523 nan 8.380 nan 0.000 0.518 193 Y N 2.698 123.101 120.300 0.173 0.000 2.040 193 Y HA -0.354 4.196 4.550 0.000 0.000 0.275 193 Y C 1.739 177.742 175.900 0.172 0.000 1.171 193 Y CA 2.375 60.592 58.100 0.196 0.000 1.123 193 Y CB 0.134 38.673 38.460 0.132 0.000 0.963 193 Y HN 0.071 nan 8.280 nan 0.000 0.493 194 E N -0.595 119.769 120.200 0.274 0.000 2.049 194 E HA -0.318 4.032 4.350 -0.000 0.000 0.198 194 E C 2.000 178.645 176.600 0.075 0.000 1.007 194 E CA 1.948 58.438 56.400 0.150 0.000 0.809 194 E CB -1.518 28.274 29.700 0.154 0.000 0.749 194 E HN 0.715 nan 8.360 nan 0.000 0.450 195 Y N 0.604 120.894 120.300 -0.017 0.000 2.081 195 Y HA -0.270 4.280 4.550 0.000 0.000 0.280 195 Y C 2.056 177.988 175.900 0.053 0.000 1.163 195 Y CA 1.814 59.879 58.100 -0.058 0.000 1.135 195 Y CB -0.588 37.772 38.460 -0.167 0.000 0.970 195 Y HN 0.065 nan 8.280 nan 0.000 0.498 196 F N -0.110 119.906 119.950 0.110 0.000 2.234 196 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 196 F C 2.169 177.977 175.800 0.013 0.000 1.087 196 F CA 1.012 59.076 58.000 0.106 0.000 1.340 196 F CB -0.262 38.812 39.000 0.123 0.000 1.031 196 F HN 0.119 nan 8.300 nan 0.000 0.500 197 D N 0.177 120.586 120.400 0.015 0.000 2.310 197 D HA -0.145 4.495 4.640 -0.000 0.000 0.212 197 D C 1.912 178.136 176.300 -0.127 0.000 0.965 197 D CA 0.794 54.728 54.000 -0.110 0.000 0.879 197 D CB -0.159 40.511 40.800 -0.217 0.000 0.921 197 D HN 0.287 nan 8.370 nan 0.000 0.510 198 Q N -1.139 118.508 119.800 -0.256 0.000 2.368 198 Q HA -0.084 4.256 4.340 -0.000 0.000 0.210 198 Q C -0.185 175.434 176.000 -0.635 0.000 0.982 198 Q CA 0.601 56.100 55.803 -0.507 0.000 0.884 198 Q CB 0.112 28.371 28.738 -0.797 0.000 0.933 198 Q HN 0.318 nan 8.270 nan 0.000 0.460 199 F N -1.384 118.498 119.950 -0.113 0.000 2.507 199 F HA 0.201 4.728 4.527 -0.000 0.000 0.327 199 F C 1.246 176.995 175.800 -0.085 0.000 1.068 199 F CA -0.919 57.026 58.000 -0.091 0.000 0.965 199 F CB 1.154 40.097 39.000 -0.094 0.000 1.192 199 F HN -0.243 nan 8.300 nan 0.000 0.476 200 E N 0.091 120.361 120.200 0.118 0.000 2.047 200 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 200 E C 0.057 176.657 176.600 0.000 0.000 0.987 200 E CA 1.009 57.428 56.400 0.031 0.000 0.799 200 E CB 0.214 29.923 29.700 0.015 0.000 0.752 200 E HN 0.635 nan 8.360 nan 0.000 0.449 201 Q N -0.043 119.749 119.800 -0.014 0.000 2.359 201 Q HA 0.430 4.770 4.340 -0.000 0.000 0.274 201 Q C -1.249 174.665 176.000 -0.142 0.000 1.074 201 Q CA -0.572 55.182 55.803 -0.082 0.000 0.810 201 Q CB 1.560 30.239 28.738 -0.098 0.000 1.342 201 Q HN 0.007 nan 8.270 nan 0.000 0.427 202 I N 3.751 124.204 120.570 -0.196 0.000 2.328 202 I HA 0.346 4.516 4.170 -0.000 0.000 0.287 202 I C -0.348 175.577 176.117 -0.319 0.000 1.012 202 I CA -0.756 60.365 61.300 -0.298 0.000 1.195 202 I CB 1.256 39.039 38.000 -0.361 0.000 1.350 202 I HN 0.578 nan 8.210 nan 0.000 0.464 203 I N 7.229 127.608 120.570 -0.318 0.000 2.287 203 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 203 I C -0.039 175.883 176.117 -0.325 0.000 1.069 203 I CA -0.459 60.655 61.300 -0.310 0.000 1.237 203 I CB 0.567 38.413 38.000 -0.258 0.000 1.418 203 I HN 0.355 nan 8.210 nan 0.000 0.481 204 L N 7.311 128.283 121.223 -0.419 0.000 2.433 204 L HA 0.249 4.589 4.340 -0.000 0.000 0.284 204 L C 0.366 176.984 176.870 -0.420 0.000 1.120 204 L CA 0.309 54.810 54.840 -0.565 0.000 0.879 204 L CB 0.503 42.022 42.059 -0.902 0.000 1.232 204 L HN 0.668 nan 8.230 nan 0.000 0.454 205 M N 5.112 124.632 119.600 -0.133 0.000 3.266 205 M HA 0.354 4.834 4.480 -0.000 0.000 0.260 205 M C -0.545 175.940 176.300 0.309 0.000 1.319 205 M CA -0.144 55.170 55.300 0.022 0.000 1.412 205 M CB 0.029 32.630 32.600 0.001 0.000 1.113 205 M HN 0.359 nan 8.290 nan 0.000 0.588 206 F N -0.340 119.603 119.950 -0.011 0.000 2.364 206 F HA 0.283 4.810 4.527 0.000 0.000 0.316 206 F C 0.907 176.720 175.800 0.023 0.000 1.133 206 F CA -1.513 56.495 58.000 0.013 0.000 1.051 206 F CB 0.637 39.650 39.000 0.022 0.000 1.342 206 F HN 0.284 nan 8.300 nan 0.000 0.507 207 D N 0.823 121.358 120.400 0.225 0.000 2.506 207 D HA 0.000 4.640 4.640 -0.000 0.000 0.234 207 D C 0.342 176.720 176.300 0.131 0.000 1.143 207 D CA 0.545 54.623 54.000 0.129 0.000 0.871 207 D CB 0.507 41.354 40.800 0.078 0.000 1.190 207 D HN 0.121 nan 8.370 nan 0.000 0.459 208 M N 2.526 122.182 119.600 0.093 0.000 3.310 208 M HA 0.161 4.641 4.480 -0.000 0.000 0.233 208 M C -0.671 175.666 176.300 0.063 0.000 1.267 208 M CA -0.372 54.976 55.300 0.080 0.000 1.301 208 M CB -1.611 31.028 32.600 0.066 0.000 1.186 208 M HN 0.291 nan 8.290 nan 0.000 0.515 209 D N -3.019 117.422 120.400 0.067 0.000 2.592 209 D HA 0.319 4.959 4.640 -0.000 0.000 0.263 209 D C 0.607 176.939 176.300 0.053 0.000 1.132 209 D CA -0.748 53.282 54.000 0.050 0.000 0.996 209 D CB 1.076 41.901 40.800 0.043 0.000 1.442 209 D HN 0.025 nan 8.370 nan 0.000 0.486 210 E N -0.176 120.048 120.200 0.040 0.000 2.237 210 E HA -0.389 3.961 4.350 -0.000 0.000 0.249 210 E C 1.926 178.557 176.600 0.050 0.000 1.035 210 E CA 2.671 59.093 56.400 0.038 0.000 0.992 210 E CB -0.453 29.264 29.700 0.029 0.000 0.899 210 E HN 0.554 nan 8.360 nan 0.000 0.525 211 A N -0.036 122.813 122.820 0.048 0.000 2.121 211 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 211 A C 2.138 179.770 177.584 0.081 0.000 1.154 211 A CA 1.572 53.641 52.037 0.054 0.000 0.679 211 A CB -0.547 18.474 19.000 0.036 0.000 0.795 211 A HN 0.453 nan 8.150 nan 0.000 0.458 212 G N -0.816 108.040 108.800 0.093 0.000 2.408 212 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.215 212 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.215 212 G C 1.667 176.691 174.900 0.207 0.000 1.156 212 G CA 0.649 45.837 45.100 0.146 0.000 0.793 212 G HN 0.431 nan 8.290 nan 0.000 0.535 213 R N 0.466 121.053 120.500 0.144 0.000 2.092 213 R HA 0.133 4.473 4.340 -0.000 0.000 0.231 213 R C 2.480 178.861 176.300 0.135 0.000 1.119 213 R CA 0.851 57.032 56.100 0.134 0.000 0.970 213 R CB -0.263 30.090 30.300 0.088 0.000 0.864 213 R HN 0.157 nan 8.270 nan 0.000 0.440 214 K N -0.110 120.360 120.400 0.117 0.000 2.063 214 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 214 K C 1.863 178.552 176.600 0.148 0.000 1.048 214 K CA 1.465 57.816 56.287 0.107 0.000 0.928 214 K CB -0.198 32.349 32.500 0.079 0.000 0.713 214 K HN 0.200 nan 8.250 nan 0.000 0.442 215 A N 0.968 123.908 122.820 0.201 0.000 1.873 215 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 215 A C 2.369 180.200 177.584 0.411 0.000 1.193 215 A CA 2.097 54.311 52.037 0.295 0.000 0.629 215 A CB -0.939 18.240 19.000 0.299 0.000 0.826 215 A HN 0.129 nan 8.150 nan 0.000 0.447 216 V N 0.259 120.393 119.914 0.368 0.000 2.250 216 V HA -0.321 3.799 4.120 -0.000 0.000 0.250 216 V C 2.650 178.767 176.094 0.037 0.000 1.060 216 V CA 2.418 64.709 62.300 -0.016 0.000 1.030 216 V CB -0.882 30.886 31.823 -0.092 0.000 0.643 216 V HN 0.549 nan 8.190 nan 0.000 0.445 217 E N -0.136 120.120 120.200 0.094 0.000 2.033 217 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 217 E C 2.261 178.912 176.600 0.084 0.000 1.011 217 E CA 1.778 58.230 56.400 0.086 0.000 0.815 217 E CB -0.321 29.431 29.700 0.086 0.000 0.755 217 E HN 0.658 nan 8.360 nan 0.000 0.451 218 E N 0.221 120.484 120.200 0.104 0.000 2.153 218 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 218 E C 1.758 178.428 176.600 0.118 0.000 0.988 218 E CA 1.092 57.554 56.400 0.103 0.000 0.811 218 E CB -0.160 29.603 29.700 0.106 0.000 0.746 218 E HN 0.280 nan 8.360 nan 0.000 0.466 219 A N 0.671 123.580 122.820 0.148 0.000 1.841 219 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 219 A C 2.398 180.032 177.584 0.083 0.000 1.195 219 A CA 1.873 54.005 52.037 0.157 0.000 0.611 219 A CB -1.079 18.057 19.000 0.225 0.000 0.835 219 A HN 0.328 nan 8.150 nan 0.000 0.443 220 A N -1.291 121.541 122.820 0.020 0.000 1.940 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 220 A C 2.101 179.714 177.584 0.048 0.000 1.176 220 A CA 2.116 54.151 52.037 -0.004 0.000 0.631 220 A CB -0.588 18.389 19.000 -0.039 0.000 0.814 220 A HN 0.564 nan 8.150 nan 0.000 0.446 221 Q N -0.742 119.096 119.800 0.063 0.000 2.096 221 Q HA -0.187 4.153 4.340 -0.000 0.000 0.208 221 Q C 1.952 178.007 176.000 0.092 0.000 0.993 221 Q CA 2.573 58.418 55.803 0.071 0.000 0.862 221 Q CB -0.527 28.251 28.738 0.066 0.000 0.915 221 Q HN 0.654 nan 8.270 nan 0.000 0.416 222 V N -0.906 119.076 119.914 0.114 0.000 3.406 222 V HA 0.170 4.290 4.120 -0.000 0.000 0.263 222 V C 0.855 177.099 176.094 0.250 0.000 1.172 222 V CA 0.505 62.894 62.300 0.148 0.000 1.140 222 V CB -0.177 31.730 31.823 0.140 0.000 0.784 222 V HN 0.080 nan 8.190 nan 0.000 0.467 223 L N 1.278 122.629 121.223 0.213 0.000 2.418 223 L HA 0.402 4.742 4.340 -0.000 0.000 0.265 223 L C -1.838 175.170 176.870 0.230 0.000 1.143 223 L CA -1.742 53.228 54.840 0.216 0.000 0.809 223 L CB 1.290 43.379 42.059 0.050 0.000 1.124 223 L HN 0.115 nan 8.230 nan 0.000 0.456 224 P HA 0.079 nan 4.420 nan 0.000 0.266 224 P C 0.113 177.441 177.300 0.046 0.000 1.215 224 P CA 0.367 63.471 63.100 0.007 0.000 0.763 224 P CB 0.828 32.197 31.700 -0.552 0.000 0.806 225 A N 4.508 127.404 122.820 0.126 0.000 5.668 225 A HA -0.200 4.120 4.320 -0.000 0.000 0.317 225 A C 1.314 178.911 177.584 0.020 0.000 1.826 225 A CA 1.374 53.453 52.037 0.069 0.000 0.735 225 A CB -2.148 16.888 19.000 0.060 0.000 1.336 225 A HN 0.663 nan 8.150 nan 0.000 0.396 226 G N -1.227 107.574 108.800 0.003 0.000 3.639 226 G HA2 0.451 4.411 3.960 -0.000 0.000 0.279 226 G HA3 0.451 4.411 3.960 -0.000 0.000 0.279 226 G C 0.645 175.518 174.900 -0.044 0.000 1.312 226 G CA 0.751 45.841 45.100 -0.017 0.000 1.355 226 G HN 0.692 nan 8.290 nan 0.000 0.595 227 K N -0.401 119.962 120.400 -0.061 0.000 2.335 227 K HA 0.112 4.432 4.320 -0.000 0.000 0.195 227 K C 0.706 177.224 176.600 -0.137 0.000 1.058 227 K CA 0.024 56.259 56.287 -0.088 0.000 0.988 227 K CB 0.837 33.288 32.500 -0.082 0.000 0.880 227 K HN 0.276 nan 8.250 nan 0.000 0.513 228 V N 3.593 123.418 119.914 -0.148 0.000 2.572 228 V HA 0.167 4.287 4.120 -0.000 0.000 0.291 228 V C -0.003 175.924 176.094 -0.279 0.000 1.039 228 V CA -0.555 61.614 62.300 -0.218 0.000 1.055 228 V CB 0.233 31.937 31.823 -0.198 0.000 0.969 228 V HN 0.223 nan 8.190 nan 0.000 0.482 229 R N 3.182 123.466 120.500 -0.361 0.000 2.575 229 R HA 0.687 5.027 4.340 -0.000 0.000 0.293 229 R C -1.436 174.489 176.300 -0.625 0.000 0.983 229 R CA -0.817 54.982 56.100 -0.502 0.000 0.887 229 R CB 1.443 31.505 30.300 -0.397 0.000 1.184 229 R HN 0.435 nan 8.270 nan 0.000 0.445 230 V N 2.091 121.412 119.914 -0.990 0.000 2.530 230 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 230 V C 0.541 176.318 176.094 -0.528 0.000 1.048 230 V CA -0.287 61.540 62.300 -0.789 0.000 0.997 230 V CB 1.373 32.699 31.823 -0.829 0.000 0.987 230 V HN 0.931 nan 8.190 nan 0.000 0.477 231 A N 5.269 127.915 122.820 -0.289 0.000 2.354 231 A HA 0.649 4.969 4.320 -0.000 0.000 0.269 231 A C -0.496 177.081 177.584 -0.012 0.000 1.109 231 A CA -0.298 51.647 52.037 -0.153 0.000 0.800 231 A CB 0.915 19.839 19.000 -0.127 0.000 1.045 231 A HN 0.700 nan 8.150 nan 0.000 0.489 232 V N 4.387 124.317 119.914 0.027 0.000 2.385 232 V HA 0.270 4.390 4.120 -0.000 0.000 0.277 232 V C -0.461 175.655 176.094 0.038 0.000 1.012 232 V CA -0.012 62.341 62.300 0.089 0.000 0.832 232 V CB 0.680 32.611 31.823 0.181 0.000 1.028 232 V HN 0.791 nan 8.190 nan 0.000 0.436 233 L N 6.155 127.400 121.223 0.036 0.000 2.387 233 L HA 0.509 4.849 4.340 -0.000 0.000 0.266 233 L C -1.191 175.699 176.870 0.034 0.000 1.059 233 L CA -1.535 53.322 54.840 0.029 0.000 0.801 233 L CB 1.195 43.278 42.059 0.041 0.000 1.223 233 L HN 0.328 nan 8.230 nan 0.000 0.456 234 P HA -0.012 nan 4.420 nan 0.000 0.223 234 P C -0.501 176.844 177.300 0.074 0.000 1.151 234 P CA 0.606 63.721 63.100 0.027 0.000 0.787 234 P CB 0.135 31.814 31.700 -0.036 0.000 0.788 235 C N -2.451 116.904 119.300 0.091 0.000 3.235 235 C HA 0.364 4.824 4.460 -0.000 0.000 0.351 235 C C 1.926 176.952 174.990 0.061 0.000 1.520 235 C CA -1.030 58.034 59.018 0.077 0.000 1.474 235 C CB 1.277 29.067 27.740 0.084 0.000 2.019 235 C HN 0.007 nan 8.230 nan 0.000 0.446 236 K N 0.877 121.307 120.400 0.050 0.000 2.034 236 K HA -0.193 4.127 4.320 -0.000 0.000 0.214 236 K C 0.091 176.724 176.600 0.055 0.000 1.051 236 K CA 2.703 59.019 56.287 0.048 0.000 0.931 236 K CB -0.234 32.288 32.500 0.037 0.000 0.715 236 K HN 0.945 nan 8.250 nan 0.000 0.446 237 D N -3.952 116.479 120.400 0.052 0.000 2.610 237 D HA 0.340 4.980 4.640 -0.000 0.000 0.271 237 D C 0.092 176.422 176.300 0.051 0.000 1.174 237 D CA -0.196 53.837 54.000 0.055 0.000 0.949 237 D CB 0.918 41.746 40.800 0.047 0.000 1.430 237 D HN -0.035 nan 8.370 nan 0.000 0.467 238 A N -0.128 122.720 122.820 0.046 0.000 2.024 238 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 238 A C 1.770 179.381 177.584 0.045 0.000 1.164 238 A CA 1.599 53.655 52.037 0.033 0.000 0.643 238 A CB -0.929 18.079 19.000 0.013 0.000 0.806 238 A HN 0.654 nan 8.150 nan 0.000 0.451 239 N N -0.269 118.461 118.700 0.050 0.000 2.290 239 N HA -0.147 4.593 4.740 -0.000 0.000 0.179 239 N C 1.757 177.303 175.510 0.061 0.000 1.016 239 N CA 1.280 54.374 53.050 0.073 0.000 0.871 239 N CB -0.125 38.393 38.487 0.052 0.000 0.987 239 N HN 0.687 nan 8.380 nan 0.000 0.431 240 E N 0.271 120.494 120.200 0.037 0.000 2.160 240 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 240 E C 1.917 178.517 176.600 -0.000 0.000 0.991 240 E CA 1.254 57.664 56.400 0.016 0.000 0.810 240 E CB 0.007 29.721 29.700 0.024 0.000 0.742 240 E HN 0.401 nan 8.360 nan 0.000 0.466 241 C N 0.026 119.343 119.300 0.029 0.000 2.473 241 C HA -0.089 4.371 4.460 -0.000 0.000 0.279 241 C C 2.545 177.530 174.990 -0.008 0.000 1.250 241 C CA 0.966 59.991 59.018 0.012 0.000 1.713 241 C CB -1.375 26.412 27.740 0.077 0.000 2.066 241 C HN 0.623 nan 8.230 nan 0.000 0.474 242 H N 0.979 120.017 119.070 -0.054 0.000 2.265 242 H HA -0.047 4.509 4.556 -0.000 0.000 0.295 242 H C 0.816 176.107 175.328 -0.061 0.000 1.084 242 H CA 1.091 57.109 56.048 -0.050 0.000 1.261 242 H CB -0.829 28.916 29.762 -0.027 0.000 1.360 242 H HN 0.280 nan 8.280 nan 0.000 0.487 243 L N 2.914 124.053 121.223 -0.140 0.000 2.865 243 L HA -0.132 4.208 4.340 -0.000 0.000 0.283 243 L C -0.020 176.746 176.870 -0.173 0.000 1.101 243 L CA 0.607 55.338 54.840 -0.181 0.000 1.061 243 L CB -1.132 40.876 42.059 -0.086 0.000 1.437 243 L HN 0.591 nan 8.230 nan 0.000 0.460 244 N N 3.195 121.772 118.700 -0.206 0.000 2.694 244 N HA -0.218 4.522 4.740 -0.000 0.000 0.309 244 N C 0.583 175.960 175.510 -0.221 0.000 1.226 244 N CA 0.536 53.482 53.050 -0.174 0.000 0.696 244 N CB 0.076 38.489 38.487 -0.123 0.000 1.035 244 N HN 0.944 nan 8.380 nan 0.000 0.542 245 G N 1.724 110.350 108.800 -0.290 0.000 2.687 245 G HA2 0.032 3.992 3.960 -0.000 0.000 0.106 245 G HA3 0.032 3.992 3.960 -0.000 0.000 0.106 245 G C -1.432 173.152 174.900 -0.527 0.000 1.082 245 G CA -0.574 44.133 45.100 -0.654 0.000 1.394 245 G HN 0.597 nan 8.290 nan 0.000 0.627 246 H N 1.610 120.689 119.070 0.015 0.000 2.569 246 H HA 0.409 4.965 4.556 -0.000 0.000 0.247 246 H C -0.157 175.176 175.328 0.008 0.000 1.346 246 H CA -0.632 55.420 56.048 0.006 0.000 1.502 246 H CB 1.272 31.030 29.762 -0.007 0.000 1.512 246 H HN 0.318 nan 8.280 nan 0.000 0.502 247 D N 1.408 121.860 120.400 0.087 0.000 2.104 247 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 247 D C 2.181 178.475 176.300 -0.010 0.000 0.994 247 D CA 0.915 54.950 54.000 0.059 0.000 0.830 247 D CB 0.408 41.258 40.800 0.085 0.000 0.959 247 D HN 0.391 nan 8.370 nan 0.000 0.452 248 R N 1.309 121.811 120.500 0.004 0.000 2.193 248 R HA -0.158 4.182 4.340 -0.000 0.000 0.229 248 R C 1.476 177.708 176.300 -0.112 0.000 1.110 248 R CA 1.094 57.158 56.100 -0.059 0.000 0.988 248 R CB 0.037 30.337 30.300 0.000 0.000 0.871 248 R HN 0.044 nan 8.270 nan 0.000 0.458 249 E N 0.590 120.768 120.200 -0.037 0.000 2.072 249 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 249 E C 1.962 178.491 176.600 -0.118 0.000 0.982 249 E CA 1.303 57.667 56.400 -0.060 0.000 0.803 249 E CB -0.155 29.550 29.700 0.008 0.000 0.755 249 E HN 0.360 nan 8.360 nan 0.000 0.453 250 I N -0.105 120.403 120.570 -0.103 0.000 2.163 250 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 250 I C 2.225 178.159 176.117 -0.304 0.000 1.085 250 I CA 0.969 62.178 61.300 -0.152 0.000 1.347 250 I CB -0.244 37.689 38.000 -0.112 0.000 1.044 250 I HN 0.173 nan 8.210 nan 0.000 0.408 251 M N 0.733 120.082 119.600 -0.417 0.000 2.065 251 M HA -0.234 4.246 4.480 -0.000 0.000 0.259 251 M C 2.056 177.644 176.300 -1.185 0.000 1.069 251 M CA 1.888 56.684 55.300 -0.839 0.000 1.110 251 M CB -0.452 31.655 32.600 -0.822 0.000 1.328 251 M HN 0.091 nan 8.290 nan 0.000 0.405 252 E N -0.745 119.002 120.200 -0.755 0.000 2.396 252 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 252 E C 1.847 178.274 176.600 -0.289 0.000 1.023 252 E CA 0.709 56.837 56.400 -0.454 0.000 0.857 252 E CB -0.037 29.546 29.700 -0.195 0.000 0.775 252 E HN 0.597 nan 8.360 nan 0.000 0.525 253 Q N -0.394 119.210 119.800 -0.328 0.000 2.274 253 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 253 Q C 2.512 178.375 176.000 -0.227 0.000 0.955 253 Q CA 0.398 56.070 55.803 -0.218 0.000 0.859 253 Q CB -0.381 28.251 28.738 -0.176 0.000 0.956 253 Q HN 0.154 nan 8.270 nan 0.000 0.516 254 V N 1.250 120.982 119.914 -0.303 0.000 2.233 254 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 254 V C 0.839 176.860 176.094 -0.121 0.000 1.063 254 V CA 1.489 63.639 62.300 -0.250 0.000 1.032 254 V CB -0.558 31.086 31.823 -0.298 0.000 0.645 254 V HN 0.328 nan 8.190 nan 0.000 0.446 255 W N 1.311 122.520 121.300 -0.151 0.000 2.368 255 W HA 0.308 4.968 4.660 0.000 0.000 0.316 255 W C 0.919 177.364 176.519 -0.123 0.000 1.375 255 W CA -0.706 56.551 57.345 -0.146 0.000 1.261 255 W CB -1.654 27.730 29.460 -0.127 0.000 1.298 255 W HN 0.532 nan 8.180 nan 0.000 0.539 256 N N 0.924 119.667 118.700 0.072 0.000 2.699 256 N HA -0.169 4.571 4.740 -0.000 0.000 0.257 256 N C -0.577 174.910 175.510 -0.039 0.000 1.077 256 N CA 0.568 53.630 53.050 0.020 0.000 0.702 256 N CB -0.774 37.763 38.487 0.082 0.000 0.886 256 N HN 0.492 nan 8.380 nan 0.000 0.549 257 A N 0.750 123.503 122.820 -0.112 0.000 2.257 257 A HA 0.754 5.073 4.320 -0.000 0.000 0.289 257 A C 1.114 178.565 177.584 -0.221 0.000 1.095 257 A CA 0.244 52.178 52.037 -0.172 0.000 0.836 257 A CB 0.671 19.525 19.000 -0.244 0.000 1.111 257 A HN 0.529 nan 8.150 nan 0.000 0.497 258 G N -0.367 108.258 108.800 -0.291 0.000 2.667 258 G HA2 0.486 4.446 3.960 -0.000 0.000 0.250 258 G HA3 0.486 4.446 3.960 -0.000 0.000 0.250 258 G C -2.740 171.704 174.900 -0.759 0.000 1.212 258 G CA -0.886 43.992 45.100 -0.369 0.000 0.874 258 G HN 0.535 nan 8.290 nan 0.000 0.561 259 P HA 0.428 nan 4.420 nan 0.000 0.304 259 P C -1.339 175.930 177.300 -0.052 0.000 1.360 259 P CA -0.299 62.633 63.100 -0.280 0.000 0.869 259 P CB 1.006 32.689 31.700 -0.029 0.000 0.988 260 W N 3.285 124.547 121.300 -0.063 0.000 3.710 260 W HA 0.295 4.955 4.660 -0.000 0.000 0.288 260 W C -1.855 174.629 176.519 -0.058 0.000 1.151 260 W CA -0.832 56.481 57.345 -0.053 0.000 1.121 260 W CB -1.033 28.400 29.460 -0.046 0.000 1.288 260 W HN 0.196 nan 8.180 nan 0.000 0.569 261 I N -0.476 120.231 120.570 0.229 0.000 3.241 261 I HA 0.310 4.480 4.170 -0.000 0.000 0.333 261 I C -2.240 173.949 176.117 0.119 0.000 1.534 261 I CA -1.694 59.705 61.300 0.165 0.000 0.979 261 I CB 0.635 38.685 38.000 0.082 0.000 1.497 261 I HN -0.003 nan 8.210 nan 0.000 0.530 262 P HA 0.059 nan 4.420 nan 0.000 0.274 262 P C -0.434 176.864 177.300 -0.003 0.000 1.291 262 P CA 0.348 63.474 63.100 0.043 0.000 0.815 262 P CB 0.930 32.640 31.700 0.016 0.000 0.897 263 D N 3.088 123.491 120.400 0.005 0.000 3.168 263 D HA 0.270 4.910 4.640 -0.000 0.000 0.255 263 D C 1.131 177.419 176.300 -0.019 0.000 1.314 263 D CA -0.180 53.816 54.000 -0.006 0.000 0.900 263 D CB -0.497 40.311 40.800 0.013 0.000 1.072 263 D HN 0.581 nan 8.370 nan 0.000 0.487 264 G N -0.405 108.371 108.800 -0.041 0.000 4.080 264 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 264 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 264 G C -0.038 174.828 174.900 -0.055 0.000 0.843 264 G CA -0.202 44.873 45.100 -0.041 0.000 0.856 264 G HN 0.256 nan 8.290 nan 0.000 0.616 265 V N 1.595 121.470 119.914 -0.066 0.000 2.607 265 V HA 0.670 4.790 4.120 -0.000 0.000 0.289 265 V C -0.261 175.748 176.094 -0.142 0.000 1.053 265 V CA -0.201 62.051 62.300 -0.079 0.000 0.996 265 V CB 1.751 33.541 31.823 -0.055 0.000 0.995 265 V HN 0.274 nan 8.190 nan 0.000 0.476 266 V N 5.407 125.236 119.914 -0.142 0.000 2.637 266 V HA 0.242 4.362 4.120 -0.000 0.000 0.274 266 V C 0.017 176.013 176.094 -0.164 0.000 1.004 266 V CA -0.548 61.642 62.300 -0.184 0.000 0.894 266 V CB 1.663 33.405 31.823 -0.135 0.000 1.046 266 V HN 0.993 nan 8.190 nan 0.000 0.467 267 S N 3.322 118.899 115.700 -0.205 0.000 2.558 267 S HA 0.373 4.843 4.470 -0.000 0.000 0.288 267 S C 1.538 176.073 174.600 -0.109 0.000 1.318 267 S CA 0.366 58.484 58.200 -0.136 0.000 1.056 267 S CB 1.614 64.737 63.200 -0.129 0.000 0.853 267 S HN 1.304 nan 8.310 nan 0.000 0.505 268 A N 3.500 126.277 122.820 -0.071 0.000 1.883 268 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 268 A C 2.205 179.755 177.584 -0.056 0.000 1.186 268 A CA 1.309 53.310 52.037 -0.059 0.000 0.624 268 A CB -0.918 18.056 19.000 -0.042 0.000 0.822 268 A HN 0.778 nan 8.150 nan 0.000 0.444 269 L N 0.993 122.188 121.223 -0.047 0.000 2.064 269 L HA -0.204 4.136 4.340 -0.000 0.000 0.216 269 L C 2.632 179.472 176.870 -0.050 0.000 1.077 269 L CA 2.591 57.408 54.840 -0.037 0.000 0.766 269 L CB -1.401 40.645 42.059 -0.022 0.000 0.890 269 L HN 0.633 nan 8.230 nan 0.000 0.435 270 S N -2.130 113.522 115.700 -0.080 0.000 2.786 270 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 270 S C 1.334 175.883 174.600 -0.084 0.000 0.956 270 S CA 0.127 58.270 58.200 -0.096 0.000 0.961 270 S CB -0.348 62.749 63.200 -0.171 0.000 0.784 270 S HN 0.364 nan 8.310 nan 0.000 0.519 271 L N 0.179 121.362 121.223 -0.067 0.000 2.817 271 L HA 0.423 4.763 4.340 -0.000 0.000 0.248 271 L C 2.151 178.998 176.870 -0.039 0.000 1.133 271 L CA -0.110 54.696 54.840 -0.056 0.000 0.935 271 L CB -0.128 41.894 42.059 -0.061 0.000 1.266 271 L HN 0.259 nan 8.230 nan 0.000 0.535 272 R N 0.939 121.419 120.500 -0.034 0.000 2.162 272 R HA -0.265 4.075 4.340 -0.000 0.000 0.245 272 R C 1.895 178.185 176.300 -0.017 0.000 1.129 272 R CA 2.266 58.352 56.100 -0.024 0.000 0.940 272 R CB -0.176 30.111 30.300 -0.022 0.000 0.875 272 R HN 0.195 nan 8.270 nan 0.000 0.437 273 E N 0.179 120.368 120.200 -0.018 0.000 2.047 273 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 273 E C 2.100 178.698 176.600 -0.003 0.000 0.987 273 E CA 1.351 57.745 56.400 -0.011 0.000 0.799 273 E CB -0.404 29.288 29.700 -0.013 0.000 0.752 273 E HN 0.433 nan 8.360 nan 0.000 0.449 274 R N 0.596 121.092 120.500 -0.008 0.000 2.103 274 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 274 R C 2.447 178.765 176.300 0.031 0.000 1.142 274 R CA 1.317 57.420 56.100 0.004 0.000 0.960 274 R CB -0.301 29.992 30.300 -0.011 0.000 0.858 274 R HN 0.139 nan 8.270 nan 0.000 0.439 275 I N 0.003 120.580 120.570 0.012 0.000 2.090 275 I HA -0.321 3.849 4.170 -0.000 0.000 0.236 275 I C 2.662 178.815 176.117 0.060 0.000 1.064 275 I CA 1.668 62.980 61.300 0.020 0.000 1.324 275 I CB -0.457 37.533 38.000 -0.015 0.000 1.044 275 I HN 0.235 nan 8.210 nan 0.000 0.399 276 R N 1.754 122.272 120.500 0.030 0.000 2.136 276 R HA -0.303 4.037 4.340 -0.000 0.000 0.242 276 R C 2.147 178.468 176.300 0.035 0.000 1.131 276 R CA 2.577 58.693 56.100 0.027 0.000 0.937 276 R CB -0.508 29.798 30.300 0.009 0.000 0.863 276 R HN 0.472 nan 8.270 nan 0.000 0.435 277 E N -0.688 119.530 120.200 0.029 0.000 2.150 277 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 277 E C 1.835 178.442 176.600 0.012 0.000 0.985 277 E CA 1.939 58.345 56.400 0.011 0.000 0.814 277 E CB -0.480 29.220 29.700 0.000 0.000 0.752 277 E HN 0.744 nan 8.360 nan 0.000 0.466 278 H N 0.048 119.101 119.070 -0.029 0.000 2.270 278 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 278 H C 1.934 177.245 175.328 -0.028 0.000 1.077 278 H CA 2.356 58.385 56.048 -0.032 0.000 1.294 278 H CB -0.279 29.466 29.762 -0.028 0.000 1.371 278 H HN 0.204 nan 8.280 nan 0.000 0.491 279 L N -0.187 121.143 121.223 0.178 0.000 2.051 279 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 279 L C 2.620 179.496 176.870 0.010 0.000 1.076 279 L CA 1.779 56.693 54.840 0.123 0.000 0.758 279 L CB -0.390 41.722 42.059 0.089 0.000 0.890 279 L HN 0.364 nan 8.230 nan 0.000 0.433 280 S N -1.504 114.186 115.700 -0.018 0.000 2.357 280 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 280 S C 2.134 176.681 174.600 -0.087 0.000 1.031 280 S CA 1.244 59.419 58.200 -0.042 0.000 0.982 280 S CB -0.187 62.993 63.200 -0.032 0.000 0.853 280 S HN 0.290 nan 8.310 nan 0.000 0.458 281 S N 0.802 116.426 115.700 -0.127 0.000 2.351 281 S HA -0.030 4.440 4.470 -0.000 0.000 0.220 281 S C 0.868 175.334 174.600 -0.224 0.000 1.035 281 S CA 1.251 59.347 58.200 -0.173 0.000 1.031 281 S CB -0.190 62.891 63.200 -0.198 0.000 0.928 281 S HN 0.359 nan 8.310 nan 0.000 0.433 282 E N 1.022 121.013 120.200 -0.349 0.000 2.222 282 E HA 0.340 4.690 4.350 -0.000 0.000 0.272 282 E C -0.439 176.044 176.600 -0.195 0.000 0.982 282 E CA -0.464 55.737 56.400 -0.331 0.000 0.842 282 E CB 1.046 30.473 29.700 -0.455 0.000 1.144 282 E HN 0.261 nan 8.360 nan 0.000 0.397 283 E N 2.573 122.670 120.200 -0.173 0.000 2.402 283 E HA 0.167 4.517 4.350 -0.000 0.000 0.244 283 E C -0.052 176.467 176.600 -0.135 0.000 0.945 283 E CA -0.160 56.164 56.400 -0.127 0.000 0.774 283 E CB 0.521 30.141 29.700 -0.134 0.000 1.296 283 E HN 0.525 nan 8.360 nan 0.000 0.414 284 S N 2.860 118.530 115.700 -0.050 0.000 2.469 284 S HA -0.313 4.157 4.470 -0.000 0.000 0.309 284 S C 1.441 176.034 174.600 -0.011 0.000 1.209 284 S CA 2.290 60.521 58.200 0.051 0.000 1.281 284 S CB -1.324 61.954 63.200 0.130 0.000 1.265 284 S HN 0.489 nan 8.310 nan 0.000 0.452 285 V N 2.182 122.091 119.914 -0.009 0.000 3.164 285 V HA 0.476 4.596 4.120 -0.000 0.000 0.388 285 V C 1.140 177.177 176.094 -0.096 0.000 1.279 285 V CA -0.313 61.977 62.300 -0.017 0.000 1.426 285 V CB -1.177 30.652 31.823 0.010 0.000 1.330 285 V HN 0.608 nan 8.190 nan 0.000 0.511 286 G N 1.150 109.844 108.800 -0.176 0.000 2.305 286 G HA2 0.284 4.244 3.960 -0.000 0.000 0.281 286 G HA3 0.284 4.244 3.960 -0.000 0.000 0.281 286 G C -0.133 174.585 174.900 -0.303 0.000 1.085 286 G CA -0.041 44.910 45.100 -0.248 0.000 1.211 286 G HN 0.613 nan 8.290 nan 0.000 0.421 287 L N 0.980 122.017 121.223 -0.309 0.000 3.010 287 L HA -0.193 4.147 4.340 -0.000 0.000 0.571 287 L C -0.222 176.471 176.870 -0.296 0.000 1.001 287 L CA 0.271 54.853 54.840 -0.431 0.000 1.301 287 L CB -0.299 41.259 42.059 -0.835 0.000 1.494 287 L HN 0.551 nan 8.230 nan 0.000 0.722 288 L N 5.711 126.899 121.223 -0.058 0.000 2.289 288 L HA 0.519 4.859 4.340 -0.000 0.000 0.285 288 L C 0.242 177.240 176.870 0.213 0.000 1.049 288 L CA -0.036 54.840 54.840 0.059 0.000 0.804 288 L CB 0.650 42.770 42.059 0.102 0.000 1.195 288 L HN 0.206 nan 8.230 nan 0.000 0.428 289 F N 1.075 121.204 119.950 0.298 0.000 2.602 289 F HA 0.101 4.628 4.527 -0.000 0.000 0.367 289 F C 1.114 177.011 175.800 0.162 0.000 1.126 289 F CA 0.680 58.842 58.000 0.270 0.000 1.321 289 F CB 0.521 39.687 39.000 0.276 0.000 1.094 289 F HN 0.403 nan 8.300 nan 0.000 0.594 290 S N 0.912 116.745 115.700 0.222 0.000 2.449 290 S HA 0.573 5.043 4.470 -0.000 0.000 0.310 290 S C 0.446 175.128 174.600 0.136 0.000 1.096 290 S CA 0.035 58.317 58.200 0.137 0.000 1.095 290 S CB 1.196 64.431 63.200 0.058 0.000 1.007 290 S HN 1.038 nan 8.310 nan 0.000 0.474 291 G N 1.669 110.579 108.800 0.183 0.000 2.159 291 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.170 291 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.170 291 G C 0.074 175.105 174.900 0.219 0.000 1.007 291 G CA -0.121 45.102 45.100 0.206 0.000 0.672 291 G HN 1.198 nan 8.290 nan 0.000 0.507 292 C N 2.197 121.625 119.300 0.213 0.000 2.656 292 C HA 0.479 4.939 4.460 -0.000 0.000 0.339 292 C C 0.801 175.899 174.990 0.179 0.000 0.788 292 C CA 0.389 59.521 59.018 0.191 0.000 0.990 292 C CB -1.321 26.534 27.740 0.193 0.000 1.496 292 C HN 1.396 nan 8.230 nan 0.000 0.674 293 T N 0.777 115.426 114.554 0.158 0.000 2.849 293 T HA 0.459 4.809 4.350 -0.000 0.000 0.289 293 T C 1.238 176.018 174.700 0.133 0.000 1.010 293 T CA 1.341 63.529 62.100 0.146 0.000 1.161 293 T CB 1.096 70.034 68.868 0.117 0.000 0.989 293 T HN 2.171 nan 8.240 nan 0.000 0.523 294 G N 3.469 112.348 108.800 0.133 0.000 2.169 294 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.173 294 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.173 294 G C 0.817 175.783 174.900 0.110 0.000 2.429 294 G CA -0.047 45.120 45.100 0.111 0.000 1.467 294 G HN 0.661 nan 8.290 nan 0.000 0.454 295 I N 2.067 122.698 120.570 0.102 0.000 2.191 295 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 295 I C 2.087 178.331 176.117 0.210 0.000 1.061 295 I CA 2.637 63.989 61.300 0.086 0.000 1.329 295 I CB -1.752 36.289 38.000 0.068 0.000 1.024 295 I HN 0.498 nan 8.210 nan 0.000 0.423 296 N N 0.387 119.240 118.700 0.254 0.000 2.132 296 N HA -0.135 4.605 4.740 -0.000 0.000 0.187 296 N C 1.467 177.091 175.510 0.189 0.000 1.038 296 N CA 0.977 54.186 53.050 0.265 0.000 0.846 296 N CB -0.077 38.545 38.487 0.225 0.000 1.012 296 N HN 0.282 nan 8.380 nan 0.000 0.429 297 D N 0.930 121.418 120.400 0.147 0.000 2.200 297 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 297 D C 1.563 177.930 176.300 0.111 0.000 1.008 297 D CA 1.392 55.461 54.000 0.114 0.000 0.872 297 D CB -0.015 40.842 40.800 0.095 0.000 0.923 297 D HN 0.255 nan 8.370 nan 0.000 0.447 298 K N -0.918 119.550 120.400 0.113 0.000 2.242 298 K HA 0.025 4.345 4.320 -0.000 0.000 0.200 298 K C 1.973 178.650 176.600 0.129 0.000 1.050 298 K CA 1.191 57.536 56.287 0.097 0.000 0.981 298 K CB 0.327 32.868 32.500 0.068 0.000 0.795 298 K HN 0.244 nan 8.250 nan 0.000 0.477 299 T N -1.424 113.236 114.554 0.177 0.000 3.022 299 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 299 T C 0.974 175.845 174.700 0.285 0.000 1.060 299 T CA -0.278 61.963 62.100 0.234 0.000 1.013 299 T CB 0.288 69.320 68.868 0.273 0.000 0.982 299 T HN 0.074 nan 8.240 nan 0.000 0.508 300 L N 0.848 122.221 121.223 0.250 0.000 4.429 300 L HA -0.165 4.175 4.340 -0.000 0.000 0.422 300 L C 0.832 177.790 176.870 0.146 0.000 1.149 300 L CA 1.303 56.281 54.840 0.229 0.000 0.972 300 L CB -1.941 40.335 42.059 0.363 0.000 2.059 300 L HN 1.088 nan 8.230 nan 0.000 0.870 301 G N -1.539 107.377 108.800 0.193 0.000 2.582 301 G HA2 0.221 4.181 3.960 -0.000 0.000 0.222 301 G HA3 0.221 4.181 3.960 -0.000 0.000 0.222 301 G C -0.203 174.667 174.900 -0.050 0.000 1.311 301 G CA -0.245 44.877 45.100 0.037 0.000 0.915 301 G HN 1.610 nan 8.290 nan 0.000 0.528 302 A N 0.352 122.966 122.820 -0.342 0.000 2.394 302 A HA 0.757 5.077 4.320 -0.000 0.000 0.333 302 A C 0.595 177.973 177.584 -0.344 0.000 1.397 302 A CA -0.088 51.759 52.037 -0.317 0.000 0.884 302 A CB 0.230 18.934 19.000 -0.493 0.000 1.147 302 A HN 0.718 nan 8.150 nan 0.000 0.505 303 R N 1.298 121.623 120.500 -0.292 0.000 2.438 303 R HA 0.388 4.728 4.340 -0.000 0.000 0.287 303 R C 1.090 177.235 176.300 -0.258 0.000 1.077 303 R CA 0.456 56.363 56.100 -0.322 0.000 1.034 303 R CB 0.921 30.961 30.300 -0.433 0.000 0.993 303 R HN 0.781 nan 8.270 nan 0.000 0.459 304 G N 0.360 109.008 108.800 -0.253 0.000 2.562 304 G HA2 0.258 4.218 3.960 -0.000 0.000 0.233 304 G HA3 0.258 4.218 3.960 -0.000 0.000 0.233 304 G C 0.993 175.791 174.900 -0.169 0.000 1.266 304 G CA 0.151 45.119 45.100 -0.219 0.000 0.852 304 G HN 0.774 nan 8.290 nan 0.000 0.581 305 G N 0.180 108.880 108.800 -0.166 0.000 2.257 305 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 305 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 305 G C 0.539 175.383 174.900 -0.094 0.000 0.984 305 G CA 0.898 45.919 45.100 -0.133 0.000 0.626 305 G HN 0.807 nan 8.290 nan 0.000 0.540 306 E N -0.726 119.419 120.200 -0.091 0.000 2.435 306 E HA 0.434 4.784 4.350 -0.000 0.000 0.254 306 E C -0.291 176.297 176.600 -0.020 0.000 1.289 306 E CA 0.148 56.521 56.400 -0.045 0.000 0.983 306 E CB 1.235 30.907 29.700 -0.046 0.000 1.010 306 E HN 0.175 nan 8.360 nan 0.000 0.509 307 V N 2.782 122.711 119.914 0.025 0.000 2.439 307 V HA 0.135 4.255 4.120 -0.000 0.000 0.277 307 V C -0.525 175.624 176.094 0.092 0.000 1.008 307 V CA -0.510 61.821 62.300 0.052 0.000 0.846 307 V CB 0.825 32.678 31.823 0.051 0.000 1.031 307 V HN 0.412 nan 8.190 nan 0.000 0.441 308 I N 4.953 125.603 120.570 0.134 0.000 2.575 308 I HA 0.365 4.535 4.170 -0.000 0.000 0.285 308 I C 0.068 176.284 176.117 0.165 0.000 1.085 308 I CA 0.046 61.463 61.300 0.195 0.000 1.403 308 I CB 1.212 39.422 38.000 0.350 0.000 1.409 308 I HN 0.654 nan 8.210 nan 0.000 0.557 309 M N 7.215 126.893 119.600 0.130 0.000 2.093 309 M HA 0.438 4.918 4.480 -0.000 0.000 0.297 309 M C -1.599 174.747 176.300 0.076 0.000 0.938 309 M CA -0.409 54.952 55.300 0.101 0.000 0.920 309 M CB 1.339 33.983 32.600 0.073 0.000 1.517 309 M HN 0.246 nan 8.290 nan 0.000 0.427 310 V N 3.595 123.565 119.914 0.094 0.000 2.465 310 V HA 0.659 4.779 4.120 -0.000 0.000 0.279 310 V C 0.175 176.287 176.094 0.031 0.000 1.045 310 V CA -0.315 62.015 62.300 0.049 0.000 0.938 310 V CB 1.184 33.079 31.823 0.119 0.000 0.986 310 V HN 0.902 nan 8.190 nan 0.000 0.467 311 T N 2.803 117.342 114.554 -0.025 0.000 2.896 311 T HA 0.806 5.156 4.350 -0.000 0.000 0.297 311 T C -0.669 173.988 174.700 -0.073 0.000 1.108 311 T CA 0.356 62.447 62.100 -0.016 0.000 1.004 311 T CB 1.788 70.656 68.868 -0.000 0.000 1.159 311 T HN 1.350 nan 8.240 nan 0.000 0.499 312 S N 0.967 116.614 115.700 -0.087 0.000 2.690 312 S HA 0.562 5.032 4.470 -0.000 0.000 0.264 312 S C 0.533 175.016 174.600 -0.195 0.000 1.040 312 S CA -0.276 57.859 58.200 -0.109 0.000 0.869 312 S CB -0.038 63.082 63.200 -0.133 0.000 1.132 312 S HN 1.283 nan 8.310 nan 0.000 0.474 313 G N 1.058 109.785 108.800 -0.122 0.000 2.332 313 G HA2 0.244 4.204 3.960 -0.000 0.000 0.311 313 G HA3 0.244 4.204 3.960 -0.000 0.000 0.311 313 G C 1.165 175.850 174.900 -0.359 0.000 1.392 313 G CA 0.423 45.349 45.100 -0.291 0.000 1.110 313 G HN 1.515 nan 8.290 nan 0.000 0.594 314 S N -0.395 115.131 115.700 -0.290 0.000 2.461 314 S HA -0.071 4.399 4.470 -0.000 0.000 0.249 314 S C 1.799 176.216 174.600 -0.306 0.000 1.012 314 S CA 1.332 59.362 58.200 -0.283 0.000 0.982 314 S CB -1.201 61.899 63.200 -0.167 0.000 0.764 314 S HN 1.567 nan 8.310 nan 0.000 0.506 315 G N 2.542 111.181 108.800 -0.268 0.000 2.816 315 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.341 315 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.341 315 G C 0.571 175.325 174.900 -0.244 0.000 0.171 315 G CA 0.809 45.761 45.100 -0.247 0.000 1.218 315 G HN 0.562 nan 8.290 nan 0.000 0.433 316 M N 3.346 122.827 119.600 -0.199 0.000 2.466 316 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 316 M C 2.165 178.375 176.300 -0.149 0.000 1.122 316 M CA 1.612 56.821 55.300 -0.152 0.000 1.157 316 M CB -0.692 31.817 32.600 -0.151 0.000 1.352 316 M HN 0.364 nan 8.290 nan 0.000 0.464 317 V N 1.799 121.589 119.914 -0.207 0.000 2.280 317 V HA -0.388 3.732 4.120 -0.000 0.000 0.258 317 V C 2.820 178.876 176.094 -0.062 0.000 1.081 317 V CA 2.814 65.014 62.300 -0.166 0.000 1.070 317 V CB -1.476 30.241 31.823 -0.177 0.000 0.666 317 V HN 0.645 nan 8.190 nan 0.000 0.450 318 M N -0.173 119.375 119.600 -0.087 0.000 2.067 318 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 318 M C 2.373 178.702 176.300 0.050 0.000 1.069 318 M CA 2.369 57.654 55.300 -0.025 0.000 1.117 318 M CB -0.214 32.340 32.600 -0.077 0.000 1.334 318 M HN 0.428 nan 8.290 nan 0.000 0.407 319 S N -0.411 115.293 115.700 0.007 0.000 2.507 319 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 319 S C 1.509 176.103 174.600 -0.010 0.000 0.988 319 S CA 1.506 59.716 58.200 0.017 0.000 0.944 319 S CB -0.221 62.984 63.200 0.008 0.000 0.762 319 S HN 0.588 nan 8.310 nan 0.000 0.526 320 T N 0.613 115.158 114.554 -0.015 0.000 2.852 320 T HA 0.066 4.416 4.350 -0.000 0.000 0.256 320 T C 1.296 175.957 174.700 -0.064 0.000 1.038 320 T CA 0.804 62.872 62.100 -0.053 0.000 1.141 320 T CB -0.440 68.423 68.868 -0.008 0.000 0.869 320 T HN 0.509 nan 8.240 nan 0.000 0.439 321 F N 2.285 122.172 119.950 -0.104 0.000 2.065 321 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 321 F C 2.229 177.960 175.800 -0.116 0.000 1.112 321 F CA 1.289 59.232 58.000 -0.095 0.000 1.212 321 F CB -0.595 38.362 39.000 -0.072 0.000 0.975 321 F HN -0.111 nan 8.300 nan 0.000 0.476 322 V N 0.506 120.413 119.914 -0.011 0.000 2.332 322 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 322 V C 2.501 178.454 176.094 -0.234 0.000 1.055 322 V CA 2.334 64.570 62.300 -0.106 0.000 1.038 322 V CB -0.789 31.060 31.823 0.042 0.000 0.651 322 V HN 0.297 nan 8.190 nan 0.000 0.450 323 R N -0.482 119.904 120.500 -0.189 0.000 2.073 323 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 323 R C 2.456 178.554 176.300 -0.337 0.000 1.134 323 R CA 1.901 57.875 56.100 -0.211 0.000 0.952 323 R CB -0.296 29.896 30.300 -0.180 0.000 0.850 323 R HN 0.568 nan 8.270 nan 0.000 0.433 324 Q N -0.280 119.252 119.800 -0.447 0.000 2.030 324 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 324 Q C 2.120 177.812 176.000 -0.513 0.000 0.986 324 Q CA 2.125 57.595 55.803 -0.555 0.000 0.843 324 Q CB -0.004 28.401 28.738 -0.555 0.000 0.904 324 Q HN 0.242 nan 8.270 nan 0.000 0.420 325 Q N -0.167 119.220 119.800 -0.688 0.000 2.014 325 Q HA -0.227 4.113 4.340 -0.000 0.000 0.207 325 Q C 1.910 177.300 176.000 -1.016 0.000 0.993 325 Q CA 2.050 57.214 55.803 -1.064 0.000 0.850 325 Q CB -0.704 27.267 28.738 -1.278 0.000 0.916 325 Q HN 0.505 nan 8.270 nan 0.000 0.417 326 A N 0.591 123.074 122.820 -0.563 0.000 1.894 326 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 326 A C 2.043 179.673 177.584 0.075 0.000 1.237 326 A CA 1.932 53.915 52.037 -0.091 0.000 0.660 326 A CB -1.232 17.786 19.000 0.031 0.000 0.835 326 A HN 0.464 nan 8.150 nan 0.000 0.461 327 L N -0.747 120.439 121.223 -0.061 0.000 1.941 327 L HA -0.330 4.010 4.340 -0.000 0.000 0.224 327 L C 3.077 180.006 176.870 0.100 0.000 1.081 327 L CA 2.782 57.630 54.840 0.015 0.000 0.784 327 L CB -0.740 41.245 42.059 -0.124 0.000 0.894 327 L HN 0.813 nan 8.230 nan 0.000 0.436 328 Q N -1.141 118.648 119.800 -0.018 0.000 2.226 328 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 328 Q C 1.840 177.939 176.000 0.166 0.000 0.975 328 Q CA 1.748 57.592 55.803 0.070 0.000 0.866 328 Q CB -0.405 28.367 28.738 0.056 0.000 0.915 328 Q HN 0.468 nan 8.270 nan 0.000 0.440 329 W N 0.327 121.636 121.300 0.014 0.000 2.402 329 W HA 0.218 4.878 4.660 -0.000 0.000 0.286 329 W C 2.053 178.517 176.519 -0.092 0.000 1.221 329 W CA 1.075 58.392 57.345 -0.047 0.000 1.257 329 W CB -0.925 28.494 29.460 -0.068 0.000 1.120 329 W HN 0.392 nan 8.180 nan 0.000 0.551 330 G N -1.153 107.722 108.800 0.126 0.000 3.141 330 G HA2 0.083 4.043 3.960 -0.000 0.000 0.218 330 G HA3 0.083 4.043 3.960 -0.000 0.000 0.218 330 G C 1.065 175.899 174.900 -0.111 0.000 1.170 330 G CA 1.370 46.311 45.100 -0.265 0.000 0.769 330 G HN 0.281 nan 8.290 nan 0.000 0.546 331 T N -4.045 110.547 114.554 0.063 0.000 3.545 331 T HA 0.402 4.752 4.350 -0.000 0.000 0.274 331 T C 2.414 177.154 174.700 0.067 0.000 0.989 331 T CA 1.247 63.388 62.100 0.069 0.000 1.129 331 T CB -0.250 68.674 68.868 0.094 0.000 1.165 331 T HN 0.137 nan 8.240 nan 0.000 0.436 332 A N 2.978 125.856 122.820 0.096 0.000 1.835 332 A HA 0.274 4.594 4.320 -0.000 0.000 0.215 332 A C 1.371 178.991 177.584 0.059 0.000 1.199 332 A CA 1.057 53.142 52.037 0.081 0.000 0.615 332 A CB -0.800 18.259 19.000 0.098 0.000 0.838 332 A HN 0.519 nan 8.150 nan 0.000 0.444 333 M N -0.933 118.713 119.600 0.078 0.000 2.198 333 M HA 0.281 4.761 4.480 -0.000 0.000 0.315 333 M C 1.533 177.834 176.300 0.001 0.000 1.134 333 M CA 0.068 55.390 55.300 0.036 0.000 1.171 333 M CB -0.594 32.033 32.600 0.044 0.000 1.413 333 M HN 0.247 nan 8.290 nan 0.000 0.467 334 G N 1.117 109.897 108.800 -0.033 0.000 2.572 334 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 334 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 334 G C 0.645 175.499 174.900 -0.077 0.000 1.133 334 G CA 0.023 45.093 45.100 -0.049 0.000 0.791 334 G HN 0.522 nan 8.290 nan 0.000 0.538 335 K N 1.040 121.388 120.400 -0.087 0.000 2.485 335 K HA 0.088 4.408 4.320 -0.000 0.000 0.277 335 K C -0.065 176.455 176.600 -0.134 0.000 0.990 335 K CA 0.093 56.311 56.287 -0.114 0.000 0.994 335 K CB 0.991 33.403 32.500 -0.147 0.000 0.906 335 K HN 0.073 nan 8.250 nan 0.000 0.488 336 K N 2.138 122.465 120.400 -0.122 0.000 2.310 336 K HA 0.128 4.448 4.320 -0.000 0.000 0.290 336 K C -0.465 176.090 176.600 -0.075 0.000 1.077 336 K CA -0.295 55.924 56.287 -0.112 0.000 0.922 336 K CB 0.663 33.121 32.500 -0.070 0.000 1.057 336 K HN 0.234 nan 8.250 nan 0.000 0.479 337 V N 2.564 122.411 119.914 -0.112 0.000 2.567 337 V HA 0.372 4.492 4.120 -0.000 0.000 0.289 337 V C 0.706 176.903 176.094 0.172 0.000 1.049 337 V CA -0.697 61.639 62.300 0.060 0.000 0.969 337 V CB 1.589 33.492 31.823 0.133 0.000 0.995 337 V HN 0.882 nan 8.190 nan 0.000 0.471 338 G N 4.399 113.305 108.800 0.176 0.000 2.470 338 G HA2 0.704 4.664 3.960 -0.000 0.000 0.320 338 G HA3 0.704 4.664 3.960 -0.000 0.000 0.320 338 G C -1.202 173.824 174.900 0.210 0.000 1.245 338 G CA -0.556 44.667 45.100 0.205 0.000 0.935 338 G HN 0.581 nan 8.290 nan 0.000 0.476 339 L N 1.614 122.969 121.223 0.220 0.000 2.356 339 L HA 0.685 5.025 4.340 -0.000 0.000 0.277 339 L C 0.180 177.153 176.870 0.171 0.000 0.996 339 L CA -1.046 53.904 54.840 0.183 0.000 0.822 339 L CB 2.473 44.637 42.059 0.175 0.000 1.256 339 L HN 0.603 nan 8.230 nan 0.000 0.413 340 A N 4.035 126.922 122.820 0.111 0.000 2.644 340 A HA 0.616 4.936 4.320 -0.000 0.000 0.343 340 A C -0.373 177.212 177.584 0.002 0.000 1.324 340 A CA -0.415 51.639 52.037 0.028 0.000 0.846 340 A CB 0.394 19.324 19.000 -0.116 0.000 1.128 340 A HN 0.617 nan 8.150 nan 0.000 0.484 341 M N 3.496 123.126 119.600 0.051 0.000 3.176 341 M HA 0.282 4.762 4.480 -0.000 0.000 0.284 341 M C 0.776 177.092 176.300 0.027 0.000 1.392 341 M CA -0.765 54.562 55.300 0.046 0.000 1.520 341 M CB -0.406 32.234 32.600 0.067 0.000 1.100 341 M HN 0.674 nan 8.290 nan 0.000 0.555 342 L N -0.099 121.107 121.223 -0.028 0.000 2.353 342 L HA -0.157 4.183 4.340 -0.000 0.000 0.220 342 L C 1.829 178.696 176.870 -0.005 0.000 1.133 342 L CA 0.628 55.439 54.840 -0.049 0.000 0.798 342 L CB -0.489 41.494 42.059 -0.127 0.000 0.922 342 L HN 0.521 nan 8.230 nan 0.000 0.445 343 E N 0.747 120.962 120.200 0.025 0.000 2.028 343 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 343 E C 0.919 177.542 176.600 0.038 0.000 0.984 343 E CA 0.739 57.165 56.400 0.044 0.000 0.800 343 E CB 0.158 29.910 29.700 0.087 0.000 0.758 343 E HN 0.651 nan 8.360 nan 0.000 0.448 344 E N 0.226 120.454 120.200 0.047 0.000 2.259 344 E HA 0.355 4.705 4.350 -0.000 0.000 0.257 344 E C -0.084 176.551 176.600 0.060 0.000 0.998 344 E CA -0.634 55.794 56.400 0.047 0.000 0.866 344 E CB 1.250 30.978 29.700 0.046 0.000 1.220 344 E HN -0.065 nan 8.360 nan 0.000 0.415 345 S N -0.163 115.571 115.700 0.057 0.000 2.608 345 S HA 0.018 4.488 4.470 -0.000 0.000 0.261 345 S C 0.952 175.598 174.600 0.077 0.000 1.314 345 S CA -0.236 58.005 58.200 0.068 0.000 0.992 345 S CB 1.378 64.612 63.200 0.057 0.000 0.935 345 S HN 0.516 nan 8.310 nan 0.000 0.564 346 V N 1.324 121.287 119.914 0.082 0.000 2.649 346 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 346 V C 2.503 178.637 176.094 0.067 0.000 1.054 346 V CA 1.865 64.212 62.300 0.078 0.000 1.073 346 V CB -1.039 30.831 31.823 0.077 0.000 0.699 346 V HN 0.940 nan 8.190 nan 0.000 0.463 347 E N 0.046 120.289 120.200 0.070 0.000 2.038 347 E HA -0.312 4.038 4.350 -0.000 0.000 0.195 347 E C 1.964 178.621 176.600 0.095 0.000 1.000 347 E CA 1.900 58.351 56.400 0.085 0.000 0.803 347 E CB -0.676 29.069 29.700 0.075 0.000 0.750 347 E HN 0.735 nan 8.360 nan 0.000 0.448 348 E N 0.435 120.681 120.200 0.077 0.000 2.048 348 E HA -0.217 4.133 4.350 -0.000 0.000 0.202 348 E C 2.336 178.981 176.600 0.075 0.000 1.021 348 E CA 2.346 58.789 56.400 0.072 0.000 0.825 348 E CB -0.338 29.396 29.700 0.057 0.000 0.756 348 E HN 0.495 nan 8.360 nan 0.000 0.454 349 T N -0.319 114.275 114.554 0.067 0.000 2.746 349 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 349 T C 2.013 176.754 174.700 0.069 0.000 1.039 349 T CA 1.576 63.710 62.100 0.056 0.000 1.142 349 T CB -0.244 68.656 68.868 0.054 0.000 0.866 349 T HN 0.198 nan 8.240 nan 0.000 0.444 350 A N 1.946 124.823 122.820 0.095 0.000 1.873 350 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 350 A C 2.247 179.966 177.584 0.225 0.000 1.193 350 A CA 2.136 54.275 52.037 0.170 0.000 0.629 350 A CB -0.964 18.112 19.000 0.126 0.000 0.826 350 A HN 0.796 nan 8.150 nan 0.000 0.447 351 E N -0.260 120.060 120.200 0.200 0.000 2.070 351 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 351 E C 1.559 178.234 176.600 0.126 0.000 1.004 351 E CA 1.265 57.786 56.400 0.201 0.000 0.805 351 E CB -0.368 29.433 29.700 0.168 0.000 0.744 351 E HN 0.555 nan 8.360 nan 0.000 0.451 352 D N 0.665 121.110 120.400 0.074 0.000 2.178 352 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 352 D C 2.074 178.352 176.300 -0.036 0.000 0.980 352 D CA 0.679 54.691 54.000 0.021 0.000 0.842 352 D CB -0.009 40.794 40.800 0.006 0.000 0.948 352 D HN 0.151 nan 8.370 nan 0.000 0.472 353 L N 0.415 121.608 121.223 -0.049 0.000 1.973 353 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 353 L C 2.624 179.392 176.870 -0.169 0.000 1.073 353 L CA 0.699 55.437 54.840 -0.169 0.000 0.746 353 L CB -0.379 41.532 42.059 -0.246 0.000 0.891 353 L HN -0.016 nan 8.230 nan 0.000 0.433 354 I N -0.027 120.463 120.570 -0.133 0.000 2.113 354 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 354 I C 2.520 178.620 176.117 -0.027 0.000 1.057 354 I CA 1.815 63.065 61.300 -0.083 0.000 1.314 354 I CB -0.827 37.250 38.000 0.128 0.000 1.022 354 I HN 0.380 nan 8.210 nan 0.000 0.408 355 G N 0.365 109.191 108.800 0.043 0.000 2.418 355 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 355 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 355 G C 1.571 176.463 174.900 -0.014 0.000 1.158 355 G CA 0.485 45.606 45.100 0.035 0.000 0.771 355 G HN 0.250 nan 8.290 nan 0.000 0.545 356 L N 0.159 121.364 121.223 -0.031 0.000 2.093 356 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 356 L C 2.331 179.302 176.870 0.169 0.000 1.085 356 L CA 2.027 56.836 54.840 -0.051 0.000 0.755 356 L CB -0.858 41.032 42.059 -0.282 0.000 0.904 356 L HN 0.482 nan 8.230 nan 0.000 0.435 357 H N -1.071 117.954 119.070 -0.075 0.000 2.462 357 H HA -0.036 4.520 4.556 0.000 0.000 0.292 357 H C 0.729 175.971 175.328 -0.144 0.000 1.049 357 H CA 1.295 57.306 56.048 -0.061 0.000 1.334 357 H CB 0.402 30.023 29.762 -0.236 0.000 1.404 357 H HN 0.401 nan 8.280 nan 0.000 0.544 358 N N 0.676 119.174 118.700 -0.336 0.000 2.251 358 N HA 0.018 4.758 4.740 -0.000 0.000 0.217 358 N C -0.353 174.977 175.510 -0.299 0.000 1.124 358 N CA -0.169 52.526 53.050 -0.591 0.000 0.843 358 N CB 0.359 38.083 38.487 -1.271 0.000 1.024 358 N HN 0.126 nan 8.380 nan 0.000 0.501 359 R N -0.736 119.742 120.500 -0.037 0.000 3.322 359 R HA -0.129 4.211 4.340 -0.000 0.000 0.253 359 R C -0.775 175.533 176.300 0.014 0.000 0.987 359 R CA 0.537 56.668 56.100 0.051 0.000 0.666 359 R CB -3.105 27.107 30.300 -0.146 0.000 1.072 359 R HN 0.221 nan 8.270 nan 0.000 0.447 360 V N -3.282 116.649 119.914 0.028 0.000 2.888 360 V HA 0.597 4.717 4.120 -0.000 0.000 0.309 360 V C 0.424 176.565 176.094 0.080 0.000 1.114 360 V CA -1.359 60.975 62.300 0.057 0.000 0.940 360 V CB 2.796 34.673 31.823 0.090 0.000 1.021 360 V HN 0.139 nan 8.190 nan 0.000 0.426 361 R N 3.333 123.881 120.500 0.081 0.000 2.893 361 R HA 0.220 4.560 4.340 -0.000 0.000 0.243 361 R C 0.605 176.965 176.300 0.099 0.000 1.481 361 R CA -0.350 55.798 56.100 0.080 0.000 1.250 361 R CB 0.356 30.698 30.300 0.070 0.000 1.213 361 R HN 0.840 nan 8.270 nan 0.000 0.609 362 L N 3.671 124.965 121.223 0.119 0.000 1.988 362 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 362 L C 2.209 179.150 176.870 0.119 0.000 1.071 362 L CA 1.831 56.764 54.840 0.156 0.000 0.744 362 L CB -0.248 41.943 42.059 0.219 0.000 0.893 362 L HN 0.399 nan 8.230 nan 0.000 0.433 363 R N -0.734 119.826 120.500 0.101 0.000 2.120 363 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 363 R C 1.522 177.861 176.300 0.065 0.000 1.123 363 R CA 1.155 57.303 56.100 0.080 0.000 0.975 363 R CB -0.832 29.509 30.300 0.069 0.000 0.866 363 R HN 0.432 nan 8.270 nan 0.000 0.446 364 Q N 1.393 121.233 119.800 0.067 0.000 2.307 364 Q HA 0.096 4.436 4.340 -0.000 0.000 0.216 364 Q C -0.317 175.717 176.000 0.055 0.000 0.931 364 Q CA 0.191 56.029 55.803 0.058 0.000 0.953 364 Q CB 0.536 29.312 28.738 0.062 0.000 1.006 364 Q HN 0.155 nan 8.270 nan 0.000 0.472 365 S N -0.571 115.163 115.700 0.057 0.000 2.536 365 S HA 0.102 4.572 4.470 -0.000 0.000 0.246 365 S C -0.044 174.582 174.600 0.044 0.000 1.077 365 S CA -0.694 57.536 58.200 0.051 0.000 1.091 365 S CB 0.751 63.989 63.200 0.062 0.000 1.148 365 S HN 0.210 nan 8.310 nan 0.000 0.447 366 D N 3.913 124.332 120.400 0.031 0.000 2.126 366 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 366 D C 2.030 178.341 176.300 0.018 0.000 1.001 366 D CA 2.768 56.780 54.000 0.020 0.000 0.841 366 D CB -0.257 40.552 40.800 0.015 0.000 0.949 366 D HN 0.644 nan 8.370 nan 0.000 0.446 367 S N 0.179 115.891 115.700 0.021 0.000 2.353 367 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 367 S C 2.385 176.996 174.600 0.018 0.000 1.035 367 S CA 1.149 59.359 58.200 0.017 0.000 1.025 367 S CB -0.949 62.263 63.200 0.020 0.000 0.902 367 S HN 0.416 nan 8.310 nan 0.000 0.440 368 L N 0.930 122.175 121.223 0.037 0.000 2.056 368 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 368 L C 2.615 179.506 176.870 0.034 0.000 1.078 368 L CA 1.785 56.654 54.840 0.048 0.000 0.749 368 L CB -0.551 41.564 42.059 0.093 0.000 0.901 368 L HN 0.336 nan 8.230 nan 0.000 0.433 369 K N -0.228 120.196 120.400 0.039 0.000 2.015 369 K HA -0.265 4.055 4.320 -0.000 0.000 0.216 369 K C 2.264 178.850 176.600 -0.024 0.000 1.052 369 K CA 2.139 58.438 56.287 0.019 0.000 0.937 369 K CB -0.360 32.149 32.500 0.014 0.000 0.719 369 K HN 0.232 nan 8.250 nan 0.000 0.446 370 R N 1.437 121.923 120.500 -0.023 0.000 2.080 370 R HA -0.211 4.129 4.340 -0.000 0.000 0.236 370 R C 1.782 178.056 176.300 -0.044 0.000 1.137 370 R CA 1.889 57.967 56.100 -0.037 0.000 0.943 370 R CB -0.571 29.714 30.300 -0.024 0.000 0.846 370 R HN 0.293 nan 8.270 nan 0.000 0.431 371 E N 0.952 121.132 120.200 -0.033 0.000 2.048 371 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 371 E C 2.090 178.645 176.600 -0.076 0.000 1.021 371 E CA 2.196 58.571 56.400 -0.042 0.000 0.825 371 E CB -0.336 29.348 29.700 -0.026 0.000 0.756 371 E HN 0.669 nan 8.360 nan 0.000 0.454 372 I N -1.355 119.151 120.570 -0.107 0.000 2.830 372 I HA -0.149 4.021 4.170 -0.000 0.000 0.263 372 I C 2.022 178.085 176.117 -0.090 0.000 1.230 372 I CA 0.594 61.786 61.300 -0.180 0.000 1.480 372 I CB -0.179 37.603 38.000 -0.364 0.000 1.095 372 I HN -0.013 nan 8.210 nan 0.000 0.455 373 I N 2.055 122.576 120.570 -0.081 0.000 2.202 373 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 373 I C 2.516 178.597 176.117 -0.061 0.000 1.091 373 I CA 1.681 62.922 61.300 -0.099 0.000 1.368 373 I CB -0.935 36.976 38.000 -0.149 0.000 1.058 373 I HN 0.406 nan 8.210 nan 0.000 0.410 374 E N 1.225 121.390 120.200 -0.059 0.000 2.051 374 E HA -0.179 4.171 4.350 -0.000 0.000 0.189 374 E C 1.395 177.971 176.600 -0.041 0.000 0.979 374 E CA 1.153 57.526 56.400 -0.045 0.000 0.803 374 E CB -0.297 29.379 29.700 -0.040 0.000 0.761 374 E HN 0.527 nan 8.360 nan 0.000 0.451 375 N N 0.359 119.026 118.700 -0.055 0.000 2.501 375 N HA -0.020 4.720 4.740 -0.000 0.000 0.195 375 N C 1.088 176.560 175.510 -0.064 0.000 1.213 375 N CA 0.971 53.987 53.050 -0.057 0.000 0.864 375 N CB 0.210 38.658 38.487 -0.065 0.000 0.999 375 N HN 0.253 nan 8.380 nan 0.000 0.454 376 G N 0.405 109.175 108.800 -0.051 0.000 2.189 376 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.267 376 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.267 376 G C 1.035 175.885 174.900 -0.082 0.000 0.975 376 G CA 0.715 45.794 45.100 -0.035 0.000 0.644 376 G HN 0.492 nan 8.290 nan 0.000 0.537 377 K N -0.847 119.438 120.400 -0.191 0.000 2.148 377 K HA 0.029 4.349 4.320 -0.000 0.000 0.204 377 K C 2.081 178.370 176.600 -0.518 0.000 1.050 377 K CA 1.323 57.350 56.287 -0.434 0.000 0.942 377 K CB -0.187 31.921 32.500 -0.653 0.000 0.724 377 K HN 0.488 nan 8.250 nan 0.000 0.446 378 F N 2.938 122.657 119.950 -0.386 0.000 2.046 378 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 378 F C 1.759 177.575 175.800 0.027 0.000 1.123 378 F CA 1.684 59.585 58.000 -0.165 0.000 1.199 378 F CB -0.249 38.700 39.000 -0.085 0.000 0.972 378 F HN 0.005 nan 8.300 nan 0.000 0.474 379 D N -0.152 120.207 120.400 -0.068 0.000 2.263 379 D HA -0.216 4.424 4.640 -0.000 0.000 0.208 379 D C 2.073 178.338 176.300 -0.058 0.000 0.971 379 D CA 1.230 55.143 54.000 -0.145 0.000 0.867 379 D CB -0.255 40.563 40.800 0.029 0.000 0.929 379 D HN 0.561 nan 8.370 nan 0.000 0.492 380 Q N -0.478 119.303 119.800 -0.031 0.000 2.033 380 Q HA -0.119 4.221 4.340 -0.000 0.000 0.196 380 Q C 2.023 178.139 176.000 0.194 0.000 0.970 380 Q CA 0.736 56.575 55.803 0.061 0.000 0.828 380 Q CB 0.038 28.794 28.738 0.030 0.000 0.895 380 Q HN 0.189 nan 8.270 nan 0.000 0.440 381 W N 0.245 121.533 121.300 -0.021 0.000 2.338 381 W HA -0.184 4.476 4.660 -0.000 0.000 0.304 381 W C 2.092 178.568 176.519 -0.072 0.000 1.212 381 W CA 0.666 57.996 57.345 -0.026 0.000 1.264 381 W CB -1.228 28.226 29.460 -0.011 0.000 1.142 381 W HN 0.267 nan 8.180 nan 0.000 0.512 382 F N 1.699 121.609 119.950 -0.067 0.000 2.075 382 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 382 F C 2.128 177.913 175.800 -0.025 0.000 1.113 382 F CA 2.340 60.247 58.000 -0.154 0.000 1.218 382 F CB -0.450 38.269 39.000 -0.469 0.000 0.984 382 F HN -0.298 nan 8.300 nan 0.000 0.472 383 D N 0.538 121.154 120.400 0.361 0.000 2.103 383 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 383 D C 2.204 178.557 176.300 0.088 0.000 0.997 383 D CA 1.562 55.705 54.000 0.239 0.000 0.833 383 D CB -0.691 40.217 40.800 0.180 0.000 0.961 383 D HN 0.322 nan 8.370 nan 0.000 0.447 384 E N 0.134 120.386 120.200 0.087 0.000 2.113 384 E HA -0.217 4.133 4.350 -0.000 0.000 0.210 384 E C 2.216 178.791 176.600 -0.042 0.000 1.040 384 E CA 0.891 57.327 56.400 0.059 0.000 0.847 384 E CB -0.456 29.317 29.700 0.122 0.000 0.755 384 E HN 0.263 nan 8.360 nan 0.000 0.459 385 L N -0.859 120.232 121.223 -0.220 0.000 2.102 385 L HA -0.024 4.316 4.340 -0.000 0.000 0.202 385 L C 2.148 178.764 176.870 -0.424 0.000 1.076 385 L CA 1.571 56.084 54.840 -0.545 0.000 0.761 385 L CB -0.459 41.008 42.059 -0.986 0.000 0.921 385 L HN -0.048 nan 8.230 nan 0.000 0.444 386 F N 0.325 120.103 119.950 -0.286 0.000 2.446 386 F HA 0.328 4.855 4.527 0.000 0.000 0.292 386 F C 2.234 177.965 175.800 -0.115 0.000 1.096 386 F CA 0.340 58.177 58.000 -0.271 0.000 1.438 386 F CB -1.164 37.415 39.000 -0.703 0.000 1.107 386 F HN 0.154 nan 8.300 nan 0.000 0.546 387 G N 0.126 108.986 108.800 0.099 0.000 3.352 387 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.236 387 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.236 387 G C 0.666 175.615 174.900 0.082 0.000 1.324 387 G CA 0.076 45.243 45.100 0.112 0.000 1.404 387 G HN 0.357 nan 8.290 nan 0.000 0.542 388 N N 0.348 119.094 118.700 0.076 0.000 2.377 388 N HA 0.029 4.769 4.740 -0.000 0.000 0.259 388 N C -0.276 175.261 175.510 0.046 0.000 1.332 388 N CA -0.339 52.742 53.050 0.050 0.000 0.877 388 N CB 0.523 39.029 38.487 0.033 0.000 1.299 388 N HN 0.120 nan 8.380 nan 0.000 0.501 389 D N 0.775 121.206 120.400 0.052 0.000 2.745 389 D HA -0.199 4.441 4.640 -0.000 0.000 0.225 389 D C 0.954 177.311 176.300 0.095 0.000 1.212 389 D CA 1.066 55.090 54.000 0.040 0.000 0.632 389 D CB -0.553 40.315 40.800 0.113 0.000 0.994 389 D HN 0.334 nan 8.370 nan 0.000 0.407 390 T N -1.729 112.814 114.554 -0.019 0.000 3.038 390 T HA 0.200 4.550 4.350 -0.000 0.000 0.244 390 T C 0.535 175.092 174.700 -0.239 0.000 1.016 390 T CA -0.081 61.953 62.100 -0.111 0.000 1.098 390 T CB 0.015 68.732 68.868 -0.251 0.000 0.954 390 T HN 0.105 nan 8.240 nan 0.000 0.469 391 F N 2.702 122.621 119.950 -0.053 0.000 2.385 391 F HA 0.568 5.095 4.527 -0.000 0.000 0.336 391 F C 0.646 176.196 175.800 -0.417 0.000 1.100 391 F CA -0.689 57.292 58.000 -0.031 0.000 1.116 391 F CB 0.932 39.985 39.000 0.089 0.000 1.166 391 F HN 0.193 nan 8.300 nan 0.000 0.511 392 H N 3.358 122.538 119.070 0.183 0.000 2.974 392 H HA 0.547 5.103 4.556 0.000 0.000 0.366 392 H C -1.510 173.896 175.328 0.130 0.000 1.155 392 H CA -0.924 55.189 56.048 0.109 0.000 1.186 392 H CB 2.191 32.002 29.762 0.083 0.000 1.799 392 H HN 0.388 nan 8.280 nan 0.000 0.541 393 L N 2.113 123.460 121.223 0.207 0.000 2.386 393 L HA 0.213 4.553 4.340 -0.000 0.000 0.271 393 L C -0.485 176.516 176.870 0.219 0.000 0.993 393 L CA -0.973 53.985 54.840 0.197 0.000 0.819 393 L CB 1.237 43.375 42.059 0.132 0.000 1.294 393 L HN 0.480 nan 8.230 nan 0.000 0.414 394 Y N 2.291 122.653 120.300 0.103 0.000 2.465 394 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 394 Y C -0.279 175.661 175.900 0.067 0.000 1.102 394 Y CA -0.618 57.531 58.100 0.081 0.000 1.358 394 Y CB 0.549 39.052 38.460 0.071 0.000 1.213 394 Y HN 0.726 nan 8.280 nan 0.000 0.525 395 D N 3.991 124.383 120.400 -0.014 0.000 2.391 395 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 395 D C -0.536 175.741 176.300 -0.038 0.000 1.069 395 D CA -0.465 53.585 54.000 0.083 0.000 0.831 395 D CB 2.025 42.844 40.800 0.032 0.000 1.204 395 D HN 0.511 nan 8.370 nan 0.000 0.503 396 S N 3.257 119.106 115.700 0.247 0.000 3.757 396 S HA 0.631 5.101 4.470 -0.000 0.000 0.190 396 S C -0.239 174.525 174.600 0.273 0.000 0.948 396 S CA -0.209 58.187 58.200 0.328 0.000 1.592 396 S CB -0.380 63.123 63.200 0.505 0.000 0.656 396 S HN 0.596 nan 8.310 nan 0.000 0.640 402 T N -0.814 113.735 114.554 -0.009 0.000 2.814 402 T HA -0.047 4.303 4.350 -0.000 0.000 0.254 402 T C 0.973 175.660 174.700 -0.022 0.000 1.037 402 T CA 1.974 64.062 62.100 -0.021 0.000 1.143 402 T CB -0.325 68.531 68.868 -0.020 0.000 0.866 402 T HN 0.375 nan 8.240 nan 0.000 0.431 403 D N 0.974 121.365 120.400 -0.016 0.000 2.097 403 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 403 D C 2.323 178.611 176.300 -0.019 0.000 0.989 403 D CA 0.985 54.974 54.000 -0.020 0.000 0.827 403 D CB -0.412 40.380 40.800 -0.013 0.000 0.966 403 D HN 0.437 nan 8.370 nan 0.000 0.456 404 R N 0.613 121.112 120.500 -0.002 0.000 2.103 404 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 404 R C 2.351 178.678 176.300 0.045 0.000 1.142 404 R CA 1.058 57.167 56.100 0.015 0.000 0.960 404 R CB -0.519 29.797 30.300 0.027 0.000 0.858 404 R HN 0.172 nan 8.270 nan 0.000 0.439 405 L N 0.768 122.015 121.223 0.039 0.000 1.988 405 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 405 L C 2.249 179.108 176.870 -0.018 0.000 1.071 405 L CA 1.440 56.306 54.840 0.044 0.000 0.744 405 L CB -0.713 41.311 42.059 -0.058 0.000 0.893 405 L HN 0.210 nan 8.230 nan 0.000 0.433 406 L N 0.093 121.267 121.223 -0.081 0.000 2.103 406 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 406 L C 2.668 179.400 176.870 -0.229 0.000 1.080 406 L CA 2.195 56.925 54.840 -0.182 0.000 0.764 406 L CB -1.841 40.132 42.059 -0.143 0.000 0.890 406 L HN 0.518 nan 8.230 nan 0.000 0.435 407 A N -0.866 121.889 122.820 -0.108 0.000 1.873 407 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 407 A C 2.217 179.783 177.584 -0.031 0.000 1.186 407 A CA 1.361 53.353 52.037 -0.075 0.000 0.616 407 A CB -0.286 18.693 19.000 -0.035 0.000 0.823 407 A HN 0.287 nan 8.150 nan 0.000 0.442 408 K N -0.091 120.326 120.400 0.029 0.000 2.009 408 K HA -0.105 4.215 4.320 -0.000 0.000 0.210 408 K C 1.877 178.554 176.600 0.129 0.000 1.049 408 K CA 1.296 57.649 56.287 0.111 0.000 0.929 408 K CB -1.078 31.564 32.500 0.236 0.000 0.714 408 K HN 0.461 nan 8.250 nan 0.000 0.440 409 L N 1.012 122.253 121.223 0.030 0.000 2.043 409 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 409 L C 2.534 179.327 176.870 -0.129 0.000 1.075 409 L CA 1.764 56.573 54.840 -0.052 0.000 0.752 409 L CB -0.597 41.315 42.059 -0.246 0.000 0.891 409 L HN 0.194 nan 8.230 nan 0.000 0.432 410 A N -0.971 121.635 122.820 -0.358 0.000 1.858 410 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 410 A C 2.221 179.878 177.584 0.122 0.000 1.190 410 A CA 1.822 53.751 52.037 -0.180 0.000 0.617 410 A CB -1.085 17.800 19.000 -0.191 0.000 0.827 410 A HN 0.546 nan 8.150 nan 0.000 0.443 411 Y N 0.446 120.743 120.300 -0.004 0.000 2.403 411 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 411 Y C 2.126 178.042 175.900 0.027 0.000 1.143 411 Y CA 1.647 59.757 58.100 0.016 0.000 1.257 411 Y CB -0.330 38.127 38.460 -0.005 0.000 0.984 411 Y HN 0.291 nan 8.280 nan 0.000 0.550 412 M N -0.390 119.248 119.600 0.063 0.000 2.067 412 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 412 M C 2.303 178.541 176.300 -0.104 0.000 1.069 412 M CA 1.879 57.153 55.300 -0.043 0.000 1.117 412 M CB -0.498 32.169 32.600 0.112 0.000 1.334 412 M HN 0.127 nan 8.290 nan 0.000 0.407 413 R N 0.636 121.179 120.500 0.072 0.000 2.083 413 R HA -0.048 4.292 4.340 -0.000 0.000 0.237 413 R C 1.977 178.247 176.300 -0.049 0.000 1.137 413 R CA 2.280 58.416 56.100 0.061 0.000 0.951 413 R CB -0.864 29.591 30.300 0.259 0.000 0.851 413 R HN 0.224 nan 8.270 nan 0.000 0.434 414 S N -1.249 114.419 115.700 -0.054 0.000 2.441 414 S HA 0.224 4.694 4.470 -0.000 0.000 0.224 414 S C 1.420 175.917 174.600 -0.173 0.000 1.043 414 S CA 0.529 58.689 58.200 -0.067 0.000 0.948 414 S CB 0.269 63.481 63.200 0.020 0.000 0.810 414 S HN 0.618 nan 8.310 nan 0.000 0.504 415 G N 1.911 110.471 108.800 -0.400 0.000 2.610 415 G HA2 0.048 4.008 3.960 -0.000 0.000 0.215 415 G HA3 0.048 4.008 3.960 -0.000 0.000 0.215 415 G C 0.953 175.561 174.900 -0.486 0.000 1.243 415 G CA 0.235 44.988 45.100 -0.578 0.000 0.847 415 G HN 0.410 nan 8.290 nan 0.000 0.560 416 L N 1.498 122.341 121.223 -0.635 0.000 2.610 416 L HA 0.351 4.691 4.340 -0.000 0.000 0.232 416 L C 1.743 178.423 176.870 -0.317 0.000 1.149 416 L CA 0.489 55.074 54.840 -0.425 0.000 0.872 416 L CB -0.961 40.791 42.059 -0.511 0.000 0.992 416 L HN 0.303 nan 8.230 nan 0.000 0.447 417 G N 0.536 109.178 108.800 -0.262 0.000 2.386 417 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.295 417 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.295 417 G C 0.306 175.109 174.900 -0.162 0.000 0.979 417 G CA 0.228 45.222 45.100 -0.177 0.000 1.193 417 G HN 0.532 nan 8.290 nan 0.000 0.508 418 C N -0.661 118.546 119.300 -0.155 0.000 2.500 418 C HA 0.709 5.169 4.460 -0.000 0.000 0.367 418 C C 1.171 176.100 174.990 -0.102 0.000 1.283 418 C CA -0.138 58.812 59.018 -0.112 0.000 2.456 418 C CB 1.480 29.182 27.740 -0.064 0.000 2.457 418 C HN 0.577 nan 8.230 nan 0.000 0.632 419 D N -0.533 119.801 120.400 -0.110 0.000 2.454 419 D HA 0.177 4.817 4.640 -0.000 0.000 0.214 419 D C 0.091 176.300 176.300 -0.153 0.000 1.088 419 D CA 0.071 53.983 54.000 -0.148 0.000 0.855 419 D CB -0.138 40.554 40.800 -0.179 0.000 1.025 419 D HN 0.367 nan 8.370 nan 0.000 0.502 420 V N 1.725 121.586 119.914 -0.089 0.000 2.513 420 V HA 0.363 4.483 4.120 -0.000 0.000 0.299 420 V C -0.543 175.594 176.094 0.072 0.000 1.035 420 V CA -0.798 61.490 62.300 -0.019 0.000 0.889 420 V CB 2.364 34.229 31.823 0.069 0.000 0.988 420 V HN 0.066 nan 8.190 nan 0.000 0.440 421 I N 5.305 125.935 120.570 0.100 0.000 2.418 421 I HA 0.483 4.653 4.170 -0.000 0.000 0.287 421 I C -0.351 175.871 176.117 0.174 0.000 1.008 421 I CA -0.341 61.054 61.300 0.158 0.000 1.104 421 I CB 1.889 40.015 38.000 0.210 0.000 1.264 421 I HN 0.451 nan 8.210 nan 0.000 0.438 422 I N 6.749 127.426 120.570 0.179 0.000 2.339 422 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 422 I C -0.552 175.639 176.117 0.122 0.000 0.994 422 I CA -0.794 60.605 61.300 0.165 0.000 1.191 422 I CB 1.901 39.999 38.000 0.163 0.000 1.343 422 I HN 0.266 nan 8.210 nan 0.000 0.458 423 L N 7.209 128.495 121.223 0.105 0.000 2.301 423 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 423 L C -0.277 176.626 176.870 0.054 0.000 1.022 423 L CA -0.064 54.810 54.840 0.057 0.000 0.854 423 L CB 0.741 42.828 42.059 0.048 0.000 1.226 423 L HN 0.426 nan 8.230 nan 0.000 0.429 424 D N 4.557 124.985 120.400 0.047 0.000 2.422 424 D HA 0.212 4.852 4.640 -0.000 0.000 0.227 424 D C -0.799 175.558 176.300 0.095 0.000 1.190 424 D CA 0.200 54.245 54.000 0.074 0.000 0.905 424 D CB -0.107 40.736 40.800 0.072 0.000 1.034 424 D HN 0.662 nan 8.370 nan 0.000 0.507 425 H N 3.756 122.769 119.070 -0.095 0.000 3.876 425 H HA -0.144 4.412 4.556 0.000 0.000 0.399 425 H C 0.125 175.362 175.328 -0.151 0.000 1.172 425 H CA -0.326 55.608 56.048 -0.191 0.000 1.364 425 H CB -1.288 28.296 29.762 -0.296 0.000 1.388 425 H HN 0.419 nan 8.280 nan 0.000 0.418 426 I N 2.484 123.025 120.570 -0.048 0.000 2.394 426 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 426 I C 1.700 177.712 176.117 -0.174 0.000 1.136 426 I CA 1.848 63.096 61.300 -0.085 0.000 1.425 426 I CB -0.577 37.419 38.000 -0.006 0.000 1.079 426 I HN 0.642 nan 8.210 nan 0.000 0.425 427 S N 1.426 116.984 115.700 -0.237 0.000 2.389 427 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 427 S C 1.033 175.462 174.600 -0.285 0.000 1.052 427 S CA 0.880 58.938 58.200 -0.238 0.000 1.053 427 S CB -0.703 62.390 63.200 -0.178 0.000 0.886 427 S HN 0.374 nan 8.310 nan 0.000 0.456 428 I N 3.239 123.543 120.570 -0.443 0.000 2.471 428 I HA 0.012 4.182 4.170 -0.000 0.000 0.294 428 I C 1.271 177.281 176.117 -0.177 0.000 1.123 428 I CA -0.291 60.842 61.300 -0.278 0.000 1.336 428 I CB -0.021 37.806 38.000 -0.288 0.000 1.430 428 I HN 0.015 nan 8.210 nan 0.000 0.533 429 V N 4.746 124.590 119.914 -0.117 0.000 2.265 429 V HA 0.095 4.215 4.120 -0.000 0.000 0.224 429 V C 0.962 177.016 176.094 -0.065 0.000 1.023 429 V CA 0.024 62.278 62.300 -0.077 0.000 1.011 429 V CB -0.680 31.112 31.823 -0.052 0.000 0.651 429 V HN 0.482 nan 8.190 nan 0.000 0.466 430 V N 0.409 120.298 119.914 -0.041 0.000 3.478 430 V HA 0.003 4.123 4.120 -0.000 0.000 0.490 430 V C -0.021 176.077 176.094 0.007 0.000 0.682 430 V CA 0.897 63.187 62.300 -0.016 0.000 2.029 430 V CB -1.529 30.284 31.823 -0.016 0.000 2.466 430 V HN 1.692 nan 8.190 nan 0.000 0.504 431 S N 2.519 118.226 115.700 0.012 0.000 2.972 431 S HA 0.400 4.870 4.470 -0.000 0.000 0.824 431 S C 0.021 174.628 174.600 0.011 0.000 0.724 431 S CA 0.236 58.447 58.200 0.020 0.000 1.535 431 S CB -0.784 62.440 63.200 0.039 0.000 1.078 431 S HN 2.708 nan 8.310 nan 0.000 0.653 432 A N 3.058 125.882 122.820 0.008 0.000 2.029 432 A HA 0.395 4.715 4.320 -0.000 0.000 0.230 432 A C -0.091 177.495 177.584 0.003 0.000 2.841 432 A CA 0.132 52.172 52.037 0.004 0.000 2.008 432 A CB -0.660 18.340 19.000 0.001 0.000 0.283 432 A HN 1.306 nan 8.150 nan 0.000 0.875 433 S N 0.793 116.496 115.700 0.005 0.000 2.503 433 S HA 0.486 4.956 4.470 -0.000 0.000 0.317 433 S C 1.059 175.661 174.600 0.003 0.000 1.162 433 S CA 0.561 58.763 58.200 0.004 0.000 1.124 433 S CB 0.556 63.759 63.200 0.006 0.000 1.207 433 S HN 1.660 nan 8.310 nan 0.000 0.538 434 G N 2.317 111.118 108.800 0.002 0.000 4.417 434 G HA2 0.259 4.219 3.960 -0.000 0.000 0.221 434 G HA3 0.259 4.219 3.960 -0.000 0.000 0.221 434 G C -0.613 174.288 174.900 0.001 0.000 1.003 434 G CA -0.703 44.398 45.100 0.002 0.000 0.832 434 G HN 0.579 nan 8.290 nan 0.000 0.356 435 E N 0.614 120.814 120.200 -0.000 0.000 2.238 435 E HA 0.775 5.125 4.350 -0.000 0.000 0.267 435 E C 0.177 176.776 176.600 -0.001 0.000 0.887 435 E CA -0.721 55.678 56.400 -0.000 0.000 0.769 435 E CB 1.660 31.360 29.700 -0.001 0.000 1.187 435 E HN -0.059 nan 8.360 nan 0.000 0.416 436 S N 1.051 116.750 115.700 -0.000 0.000 2.502 436 S HA 0.038 4.508 4.470 -0.000 0.000 0.251 436 S C 0.042 174.641 174.600 -0.001 0.000 1.254 436 S CA -0.603 57.596 58.200 -0.000 0.000 0.989 436 S CB -0.053 63.148 63.200 0.001 0.000 1.015 436 S HN 0.685 nan 8.310 nan 0.000 0.529 437 D N 1.779 122.179 120.400 -0.000 0.000 3.139 437 D HA -0.106 4.534 4.640 -0.000 0.000 0.212 437 D C 1.077 177.376 176.300 -0.002 0.000 1.084 437 D CA 0.509 54.509 54.000 -0.000 0.000 0.777 437 D CB 0.306 41.107 40.800 0.002 0.000 1.156 437 D HN 0.421 nan 8.370 nan 0.000 0.537 438 E N 3.306 123.504 120.200 -0.004 0.000 2.219 438 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 438 E C 1.878 178.476 176.600 -0.003 0.000 0.998 438 E CA 0.599 56.994 56.400 -0.007 0.000 0.818 438 E CB 0.154 29.847 29.700 -0.012 0.000 0.741 438 E HN 0.463 nan 8.360 nan 0.000 0.477 439 R N 0.806 121.306 120.500 0.001 0.000 2.136 439 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 439 R C 2.499 178.801 176.300 0.004 0.000 1.131 439 R CA 1.920 58.023 56.100 0.004 0.000 0.937 439 R CB -0.162 30.142 30.300 0.005 0.000 0.863 439 R HN -0.028 nan 8.270 nan 0.000 0.435 440 K N 0.315 120.717 120.400 0.003 0.000 2.007 440 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 440 K C 2.017 178.618 176.600 0.002 0.000 1.047 440 K CA 1.276 57.565 56.287 0.003 0.000 0.937 440 K CB -0.271 32.231 32.500 0.003 0.000 0.718 440 K HN 0.126 nan 8.250 nan 0.000 0.438 441 M N 1.899 121.499 119.600 -0.001 0.000 2.117 441 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 441 M C 2.177 178.474 176.300 -0.004 0.000 1.065 441 M CA 1.006 56.304 55.300 -0.003 0.000 1.114 441 M CB -0.743 31.852 32.600 -0.007 0.000 1.361 441 M HN 0.264 nan 8.290 nan 0.000 0.408 442 I N 0.584 121.151 120.570 -0.005 0.000 2.185 442 I HA -0.383 3.787 4.170 -0.000 0.000 0.246 442 I C 1.346 177.465 176.117 0.004 0.000 1.088 442 I CA 2.201 63.498 61.300 -0.004 0.000 1.347 442 I CB -0.602 37.397 38.000 -0.001 0.000 1.041 442 I HN 0.245 nan 8.210 nan 0.000 0.415 443 D N 0.839 121.243 120.400 0.007 0.000 2.078 443 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 443 D C 2.035 178.342 176.300 0.012 0.000 0.990 443 D CA 1.295 55.302 54.000 0.011 0.000 0.827 443 D CB -0.631 40.176 40.800 0.011 0.000 0.975 443 D HN 0.370 nan 8.370 nan 0.000 0.451 444 N N 0.634 119.339 118.700 0.009 0.000 2.049 444 N HA -0.190 4.550 4.740 -0.000 0.000 0.198 444 N C 1.897 177.413 175.510 0.010 0.000 1.030 444 N CA 1.107 54.162 53.050 0.009 0.000 0.870 444 N CB -0.441 38.049 38.487 0.004 0.000 1.045 444 N HN 0.183 nan 8.380 nan 0.000 0.434 445 L N 0.745 121.971 121.223 0.005 0.000 1.989 445 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 445 L C 2.391 179.273 176.870 0.020 0.000 1.071 445 L CA 1.714 56.557 54.840 0.005 0.000 0.749 445 L CB -1.209 40.846 42.059 -0.007 0.000 0.890 445 L HN 0.139 nan 8.230 nan 0.000 0.431 446 M N 0.123 119.735 119.600 0.021 0.000 2.124 446 M HA -0.262 4.218 4.480 -0.000 0.000 0.253 446 M C 2.404 178.729 176.300 0.042 0.000 1.077 446 M CA 2.682 58.001 55.300 0.032 0.000 1.085 446 M CB -1.516 31.101 32.600 0.027 0.000 1.320 446 M HN 0.728 nan 8.290 nan 0.000 0.404 447 T N -1.951 112.624 114.554 0.035 0.000 2.668 447 T HA -0.165 4.185 4.350 -0.000 0.000 0.262 447 T C 1.824 176.556 174.700 0.053 0.000 1.045 447 T CA 1.578 63.702 62.100 0.039 0.000 1.152 447 T CB -0.546 68.340 68.868 0.030 0.000 0.864 447 T HN 0.435 nan 8.240 nan 0.000 0.419 448 K N 1.251 121.679 120.400 0.047 0.000 2.144 448 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 448 K C 2.393 179.057 176.600 0.106 0.000 1.047 448 K CA 1.476 57.798 56.287 0.057 0.000 0.927 448 K CB -0.701 31.815 32.500 0.027 0.000 0.716 448 K HN 0.405 nan 8.250 nan 0.000 0.454 449 L N 0.867 122.154 121.223 0.106 0.000 1.988 449 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 449 L C 2.599 179.570 176.870 0.169 0.000 1.071 449 L CA 1.207 56.149 54.840 0.171 0.000 0.744 449 L CB -0.506 41.626 42.059 0.122 0.000 0.893 449 L HN 0.102 nan 8.230 nan 0.000 0.433 450 K N 0.733 121.193 120.400 0.099 0.000 2.152 450 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 450 K C 1.782 178.419 176.600 0.061 0.000 1.048 450 K CA 1.489 57.815 56.287 0.066 0.000 0.933 450 K CB -0.876 31.653 32.500 0.048 0.000 0.721 450 K HN 0.301 nan 8.250 nan 0.000 0.447 451 G N 0.227 109.079 108.800 0.087 0.000 2.575 451 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 451 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 451 G C 1.371 176.348 174.900 0.129 0.000 1.262 451 G CA 0.741 45.894 45.100 0.089 0.000 0.807 451 G HN 0.348 nan 8.290 nan 0.000 0.567 452 F N 2.809 122.763 119.950 0.008 0.000 2.076 452 F HA -0.307 4.220 4.527 0.000 0.000 0.294 452 F C 2.695 178.495 175.800 0.001 0.000 1.078 452 F CA 1.588 59.592 58.000 0.007 0.000 1.247 452 F CB -0.917 38.090 39.000 0.012 0.000 0.984 452 F HN 0.272 nan 8.300 nan 0.000 0.491 453 A N -0.117 122.607 122.820 -0.159 0.000 1.827 453 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 453 A C 2.263 179.723 177.584 -0.206 0.000 1.212 453 A CA 2.238 54.113 52.037 -0.269 0.000 0.624 453 A CB -1.144 17.800 19.000 -0.092 0.000 0.853 453 A HN 0.370 nan 8.150 nan 0.000 0.450 454 K N 0.075 120.421 120.400 -0.092 0.000 2.103 454 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 454 K C 2.427 178.994 176.600 -0.055 0.000 1.048 454 K CA 1.647 57.898 56.287 -0.060 0.000 0.930 454 K CB -0.312 32.174 32.500 -0.022 0.000 0.716 454 K HN 0.628 nan 8.250 nan 0.000 0.444 455 S N -0.863 114.815 115.700 -0.037 0.000 2.400 455 S HA -0.155 4.315 4.470 -0.000 0.000 0.232 455 S C 1.828 176.402 174.600 -0.044 0.000 1.025 455 S CA 1.862 60.054 58.200 -0.013 0.000 0.993 455 S CB -0.422 62.801 63.200 0.038 0.000 0.808 455 S HN 0.473 nan 8.310 nan 0.000 0.478 456 T N -4.499 109.983 114.554 -0.121 0.000 3.004 456 T HA 0.515 4.865 4.350 -0.000 0.000 0.266 456 T C 1.503 176.090 174.700 -0.189 0.000 0.986 456 T CA 0.861 62.872 62.100 -0.148 0.000 0.902 456 T CB 0.046 68.817 68.868 -0.161 0.000 1.118 456 T HN 1.256 nan 8.240 nan 0.000 0.522 457 G N 1.223 109.905 108.800 -0.196 0.000 2.189 457 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 457 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 457 G C 0.354 175.120 174.900 -0.223 0.000 0.975 457 G CA 0.262 45.255 45.100 -0.179 0.000 0.644 457 G HN 1.110 nan 8.290 nan 0.000 0.537 458 V N 0.703 120.438 119.914 -0.298 0.000 2.901 458 V HA 0.374 4.494 4.120 -0.000 0.000 0.307 458 V C 1.107 177.047 176.094 -0.257 0.000 1.084 458 V CA 0.262 62.383 62.300 -0.299 0.000 1.184 458 V CB 1.336 32.908 31.823 -0.419 0.000 0.941 458 V HN 0.561 nan 8.190 nan 0.000 0.493 459 V N 7.620 127.406 119.914 -0.213 0.000 2.488 459 V HA 0.271 4.391 4.120 -0.000 0.000 0.277 459 V C 0.073 176.116 176.094 -0.084 0.000 1.046 459 V CA -0.216 61.979 62.300 -0.175 0.000 0.986 459 V CB 1.049 32.718 31.823 -0.257 0.000 0.989 459 V HN 0.687 nan 8.190 nan 0.000 0.475 460 L N 7.143 128.346 121.223 -0.034 0.000 2.324 460 L HA 0.508 4.848 4.340 -0.000 0.000 0.274 460 L C -0.254 176.682 176.870 0.110 0.000 1.012 460 L CA 0.034 54.904 54.840 0.050 0.000 0.859 460 L CB 1.493 43.582 42.059 0.050 0.000 1.224 460 L HN 0.501 nan 8.230 nan 0.000 0.429 461 V N 4.726 124.742 119.914 0.170 0.000 2.583 461 V HA 0.478 4.598 4.120 -0.000 0.000 0.287 461 V C -0.007 176.188 176.094 0.168 0.000 1.051 461 V CA -0.616 61.814 62.300 0.217 0.000 1.010 461 V CB 1.323 33.326 31.823 0.301 0.000 0.988 461 V HN 0.418 nan 8.190 nan 0.000 0.478 462 V N 5.672 125.676 119.914 0.149 0.000 2.569 462 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 462 V C -0.126 176.037 176.094 0.114 0.000 1.044 462 V CA -0.418 61.952 62.300 0.116 0.000 0.874 462 V CB 1.850 33.730 31.823 0.096 0.000 1.002 462 V HN 0.667 nan 8.190 nan 0.000 0.424 463 I N 3.663 124.298 120.570 0.109 0.000 2.662 463 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 463 I C 0.105 176.290 176.117 0.113 0.000 1.046 463 I CA 0.230 61.597 61.300 0.112 0.000 1.361 463 I CB 1.486 39.548 38.000 0.104 0.000 1.429 463 I HN 0.840 nan 8.210 nan 0.000 0.558 464 C N 6.199 125.582 119.300 0.138 0.000 3.046 464 C HA 0.407 4.867 4.460 -0.000 0.000 0.388 464 C C -0.679 174.451 174.990 0.233 0.000 1.041 464 C CA -0.576 58.536 59.018 0.157 0.000 1.241 464 C CB 0.684 28.486 27.740 0.103 0.000 1.638 464 C HN 0.897 nan 8.230 nan 0.000 0.539 465 H N 3.254 122.338 119.070 0.023 0.000 2.483 465 H HA 0.532 5.088 4.556 0.000 0.000 0.338 465 H C -0.294 175.000 175.328 -0.055 0.000 1.152 465 H CA -0.629 55.376 56.048 -0.071 0.000 1.264 465 H CB 1.310 31.010 29.762 -0.103 0.000 1.510 465 H HN 0.559 nan 8.280 nan 0.000 0.530 466 L N 2.910 124.107 121.223 -0.043 0.000 2.312 466 L HA 0.195 4.535 4.340 -0.000 0.000 0.281 466 L C 0.069 176.889 176.870 -0.084 0.000 1.070 466 L CA -0.970 53.822 54.840 -0.080 0.000 0.805 466 L CB 1.193 43.151 42.059 -0.168 0.000 1.174 466 L HN 0.579 nan 8.230 nan 0.000 0.434 467 K N 2.159 122.557 120.400 -0.003 0.000 2.344 467 K HA 0.074 4.394 4.320 -0.000 0.000 0.260 467 K C -0.357 176.269 176.600 0.043 0.000 0.988 467 K CA -0.034 56.263 56.287 0.015 0.000 0.909 467 K CB 0.276 32.796 32.500 0.034 0.000 0.968 467 K HN 0.425 nan 8.250 nan 0.000 0.505 468 N N 1.728 120.460 118.700 0.053 0.000 2.407 468 N HA 0.132 4.872 4.740 -0.000 0.000 0.277 468 N C -1.838 173.730 175.510 0.096 0.000 0.995 468 N CA -1.527 51.591 53.050 0.113 0.000 0.903 468 N CB 1.396 39.923 38.487 0.067 0.000 1.218 468 N HN 0.477 nan 8.380 nan 0.000 0.487 469 P HA -0.237 nan 4.420 nan 0.000 0.221 469 P C -0.035 177.279 177.300 0.023 0.000 1.107 469 P CA 1.647 64.771 63.100 0.040 0.000 0.986 469 P CB 0.259 31.956 31.700 -0.006 0.000 0.774 470 D N -5.122 115.289 120.400 0.018 0.000 2.603 470 D HA -0.131 4.508 4.640 -0.000 0.000 0.180 470 D C 0.059 176.359 176.300 -0.000 0.000 0.972 470 D CA 1.499 55.505 54.000 0.009 0.000 1.022 470 D CB -1.066 39.739 40.800 0.009 0.000 1.079 470 D HN 0.157 nan 8.370 nan 0.000 0.455 471 K N 0.401 120.796 120.400 -0.008 0.000 2.334 471 K HA 0.577 4.897 4.320 -0.000 0.000 0.265 471 K C 1.201 177.785 176.600 -0.026 0.000 1.039 471 K CA 0.335 56.612 56.287 -0.017 0.000 0.920 471 K CB 0.499 32.986 32.500 -0.021 0.000 1.160 471 K HN 0.148 nan 8.250 nan 0.000 0.451 472 G N 4.918 113.706 108.800 -0.020 0.000 3.282 472 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.367 472 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.367 472 G C -0.203 174.681 174.900 -0.028 0.000 1.377 472 G CA 1.438 46.525 45.100 -0.022 0.000 1.254 472 G HN 0.697 nan 8.290 nan 0.000 0.717 473 K N 1.363 121.737 120.400 -0.042 0.000 2.234 473 K HA 0.759 5.079 4.320 -0.000 0.000 0.282 473 K C 0.598 177.150 176.600 -0.079 0.000 1.039 473 K CA 0.051 56.306 56.287 -0.053 0.000 0.928 473 K CB 1.620 34.086 32.500 -0.057 0.000 1.039 473 K HN 0.821 nan 8.250 nan 0.000 0.470 474 A N 2.968 125.753 122.820 -0.058 0.000 2.495 474 A HA 0.129 4.449 4.320 -0.000 0.000 0.260 474 A C 0.579 178.087 177.584 -0.127 0.000 1.608 474 A CA 0.084 52.093 52.037 -0.046 0.000 0.834 474 A CB -0.399 18.610 19.000 0.015 0.000 1.526 474 A HN 0.983 nan 8.150 nan 0.000 0.578 475 H N -0.826 118.215 119.070 -0.049 0.000 2.486 475 H HA 0.051 4.607 4.556 0.000 0.000 0.287 475 H C 1.622 176.908 175.328 -0.070 0.000 1.010 475 H CA 1.135 57.144 56.048 -0.065 0.000 1.324 475 H CB 0.334 30.049 29.762 -0.079 0.000 1.446 475 H HN 0.670 nan 8.280 nan 0.000 0.537 476 E N 0.562 120.790 120.200 0.046 0.000 2.481 476 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 476 E C 0.825 177.415 176.600 -0.018 0.000 1.047 476 E CA 0.425 56.825 56.400 0.000 0.000 0.867 476 E CB 0.093 29.789 29.700 -0.006 0.000 0.858 476 E HN 0.505 nan 8.360 nan 0.000 0.513 477 E N 0.289 120.473 120.200 -0.028 0.000 2.403 477 E HA 0.144 4.494 4.350 -0.000 0.000 0.187 477 E C 0.790 177.357 176.600 -0.053 0.000 1.073 477 E CA 0.406 56.784 56.400 -0.037 0.000 0.888 477 E CB -0.305 29.371 29.700 -0.039 0.000 1.035 477 E HN 0.406 nan 8.360 nan 0.000 0.471 478 G N 1.861 110.625 108.800 -0.061 0.000 2.458 478 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.237 478 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.237 478 G C 0.506 175.341 174.900 -0.109 0.000 1.113 478 G CA 0.164 45.220 45.100 -0.074 0.000 0.655 478 G HN 0.421 nan 8.290 nan 0.000 0.513 479 R N 2.060 122.480 120.500 -0.133 0.000 3.568 479 R HA -0.040 4.300 4.340 -0.000 0.000 0.179 479 R C -2.069 174.126 176.300 -0.175 0.000 0.664 479 R CA 0.655 56.656 56.100 -0.166 0.000 0.918 479 R CB -0.275 29.884 30.300 -0.235 0.000 1.034 479 R HN 0.307 nan 8.270 nan 0.000 0.320 480 P HA -0.019 nan 4.420 nan 0.000 0.271 480 P C -0.732 176.506 177.300 -0.103 0.000 1.233 480 P CA -0.307 62.730 63.100 -0.105 0.000 0.789 480 P CB 0.731 32.384 31.700 -0.079 0.000 0.951 481 V N -0.338 119.530 119.914 -0.076 0.000 2.604 481 V HA 0.767 4.887 4.120 -0.000 0.000 0.305 481 V C -0.488 175.584 176.094 -0.036 0.000 1.043 481 V CA -0.415 61.857 62.300 -0.046 0.000 0.888 481 V CB 1.804 33.620 31.823 -0.012 0.000 0.995 481 V HN 0.700 nan 8.190 nan 0.000 0.429 482 S N 4.697 120.383 115.700 -0.023 0.000 2.726 482 S HA 0.659 5.129 4.470 -0.000 0.000 0.308 482 S C 0.590 175.187 174.600 -0.006 0.000 1.115 482 S CA -0.602 57.588 58.200 -0.017 0.000 0.965 482 S CB 1.463 64.654 63.200 -0.015 0.000 1.145 482 S HN 0.718 nan 8.310 nan 0.000 0.532 483 I N 1.222 121.790 120.570 -0.003 0.000 2.439 483 I HA -0.060 4.110 4.170 -0.000 0.000 0.251 483 I C 2.911 179.033 176.117 0.008 0.000 1.139 483 I CA 1.614 62.916 61.300 0.004 0.000 1.438 483 I CB -1.568 36.435 38.000 0.005 0.000 1.085 483 I HN 0.985 nan 8.210 nan 0.000 0.427 484 T N -0.047 114.510 114.554 0.005 0.000 2.652 484 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 484 T C 1.787 176.493 174.700 0.011 0.000 1.039 484 T CA 2.106 64.210 62.100 0.006 0.000 1.153 484 T CB -0.610 68.259 68.868 0.002 0.000 0.863 484 T HN 0.272 nan 8.240 nan 0.000 0.428 485 D N 0.527 120.932 120.400 0.009 0.000 2.362 485 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 485 D C 0.720 177.039 176.300 0.033 0.000 0.978 485 D CA 0.203 54.214 54.000 0.019 0.000 0.921 485 D CB -0.510 40.297 40.800 0.013 0.000 0.895 485 D HN 0.380 nan 8.370 nan 0.000 0.494 486 L N 1.094 122.331 121.223 0.024 0.000 2.525 486 L HA 0.004 4.344 4.340 -0.000 0.000 0.278 486 L C 1.229 178.116 176.870 0.029 0.000 1.218 486 L CA 0.394 55.251 54.840 0.027 0.000 0.878 486 L CB 0.527 42.599 42.059 0.021 0.000 1.127 486 L HN 0.074 nan 8.230 nan 0.000 0.492 487 R N 1.667 122.187 120.500 0.033 0.000 2.954 487 R HA 0.265 4.605 4.340 -0.000 0.000 0.276 487 R C 0.619 176.935 176.300 0.027 0.000 1.218 487 R CA 0.664 56.783 56.100 0.032 0.000 1.149 487 R CB 0.044 30.369 30.300 0.040 0.000 1.112 487 R HN 0.945 nan 8.270 nan 0.000 0.577 488 G N -0.460 108.354 108.800 0.024 0.000 2.645 488 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 488 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 488 G C -0.055 174.855 174.900 0.016 0.000 1.322 488 G CA 0.079 45.190 45.100 0.019 0.000 0.898 488 G HN 0.501 nan 8.290 nan 0.000 0.573 489 S N -0.202 115.506 115.700 0.014 0.000 3.009 489 S HA 0.528 4.998 4.470 -0.000 0.000 0.254 489 S C 1.170 175.778 174.600 0.013 0.000 1.004 489 S CA 1.210 59.418 58.200 0.013 0.000 1.119 489 S CB 0.219 63.425 63.200 0.010 0.000 1.075 489 S HN 2.397 nan 8.310 nan 0.000 0.618 490 G N 0.881 109.690 108.800 0.015 0.000 3.211 490 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.202 490 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.202 490 G C 1.129 176.040 174.900 0.018 0.000 1.035 490 G CA 0.265 45.374 45.100 0.016 0.000 0.846 490 G HN 0.460 nan 8.290 nan 0.000 0.464 491 A N 0.844 123.675 122.820 0.018 0.000 1.883 491 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 491 A C 2.385 179.984 177.584 0.025 0.000 1.186 491 A CA 2.563 54.613 52.037 0.021 0.000 0.624 491 A CB -0.483 18.529 19.000 0.020 0.000 0.822 491 A HN 0.954 nan 8.150 nan 0.000 0.444 492 L N -0.003 121.236 121.223 0.027 0.000 2.044 492 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 492 L C 2.343 179.231 176.870 0.030 0.000 1.075 492 L CA 1.683 56.543 54.840 0.032 0.000 0.747 492 L CB -1.148 40.931 42.059 0.034 0.000 0.903 492 L HN 0.309 nan 8.230 nan 0.000 0.435 493 R N 0.168 120.683 120.500 0.026 0.000 2.276 493 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 493 R C 1.889 178.203 176.300 0.023 0.000 1.161 493 R CA 1.575 57.689 56.100 0.023 0.000 1.007 493 R CB -0.553 29.759 30.300 0.019 0.000 0.867 493 R HN 0.609 nan 8.270 nan 0.000 0.472 494 Q N -0.125 119.689 119.800 0.025 0.000 2.596 494 Q HA 0.084 4.424 4.340 -0.000 0.000 0.190 494 Q C 1.691 177.709 176.000 0.030 0.000 0.905 494 Q CA -0.346 55.472 55.803 0.025 0.000 0.846 494 Q CB 0.227 28.978 28.738 0.021 0.000 1.117 494 Q HN 0.020 nan 8.270 nan 0.000 0.630 495 L N 1.413 122.654 121.223 0.031 0.000 2.270 495 L HA -0.113 4.227 4.340 -0.000 0.000 0.217 495 L C 0.654 177.548 176.870 0.040 0.000 1.107 495 L CA 1.249 56.109 54.840 0.034 0.000 0.772 495 L CB -0.813 41.267 42.059 0.035 0.000 0.902 495 L HN 0.042 nan 8.230 nan 0.000 0.439 496 S N 0.015 115.741 115.700 0.044 0.000 2.548 496 S HA 0.070 4.540 4.470 -0.000 0.000 0.277 496 S C 0.829 175.462 174.600 0.055 0.000 1.315 496 S CA -0.676 57.556 58.200 0.052 0.000 1.050 496 S CB 1.111 64.343 63.200 0.054 0.000 0.918 496 S HN 0.199 nan 8.310 nan 0.000 0.497 497 D N 1.801 122.239 120.400 0.064 0.000 2.144 497 D HA 0.037 4.677 4.640 -0.000 0.000 0.207 497 D C 0.358 176.711 176.300 0.089 0.000 0.970 497 D CA 1.145 55.189 54.000 0.073 0.000 0.853 497 D CB -0.084 40.757 40.800 0.068 0.000 1.007 497 D HN 0.453 nan 8.370 nan 0.000 0.469 498 T N 1.218 115.833 114.554 0.102 0.000 2.829 498 T HA 0.456 4.806 4.350 -0.000 0.000 0.280 498 T C -0.299 174.446 174.700 0.075 0.000 0.999 498 T CA -0.536 61.626 62.100 0.104 0.000 0.983 498 T CB 1.982 70.943 68.868 0.156 0.000 0.968 498 T HN -0.202 nan 8.240 nan 0.000 0.446 499 I N 3.789 124.383 120.570 0.039 0.000 2.359 499 I HA 0.418 4.588 4.170 -0.000 0.000 0.284 499 I C -0.262 175.833 176.117 -0.037 0.000 1.018 499 I CA -1.550 59.758 61.300 0.012 0.000 1.173 499 I CB 0.549 38.555 38.000 0.009 0.000 1.326 499 I HN 0.590 nan 8.210 nan 0.000 0.462 500 I N 5.635 126.161 120.570 -0.073 0.000 2.336 500 I HA 0.636 4.806 4.170 -0.000 0.000 0.292 500 I C 0.376 176.388 176.117 -0.175 0.000 0.991 500 I CA -0.382 60.818 61.300 -0.167 0.000 1.227 500 I CB 1.447 39.278 38.000 -0.282 0.000 1.366 500 I HN 0.600 nan 8.210 nan 0.000 0.466 501 A N 7.198 129.907 122.820 -0.185 0.000 2.337 501 A HA 0.962 5.282 4.320 -0.000 0.000 0.331 501 A C -1.082 176.354 177.584 -0.246 0.000 1.137 501 A CA -0.524 51.408 52.037 -0.175 0.000 0.807 501 A CB 1.139 20.070 19.000 -0.115 0.000 1.250 501 A HN 0.565 nan 8.150 nan 0.000 0.468 502 L N 1.042 122.123 121.223 -0.236 0.000 2.409 502 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 502 L C -0.257 176.501 176.870 -0.188 0.000 0.980 502 L CA -0.234 54.448 54.840 -0.264 0.000 0.826 502 L CB 1.736 43.599 42.059 -0.327 0.000 1.268 502 L HN 0.738 nan 8.230 nan 0.000 0.407 503 E N 2.888 122.974 120.200 -0.189 0.000 2.207 503 E HA 0.726 5.076 4.350 -0.000 0.000 0.270 503 E C -0.863 175.653 176.600 -0.140 0.000 0.927 503 E CA -1.038 55.276 56.400 -0.142 0.000 0.799 503 E CB 2.983 32.594 29.700 -0.148 0.000 1.172 503 E HN 0.478 nan 8.360 nan 0.000 0.404 504 R N 2.523 122.963 120.500 -0.101 0.000 2.605 504 R HA 0.081 4.421 4.340 -0.000 0.000 0.291 504 R C -1.252 175.012 176.300 -0.060 0.000 1.226 504 R CA -0.237 55.812 56.100 -0.086 0.000 0.981 504 R CB 0.816 31.060 30.300 -0.093 0.000 1.215 504 R HN 0.712 nan 8.270 nan 0.000 0.428 505 N N 4.505 123.174 118.700 -0.052 0.000 3.050 505 N HA -0.015 4.725 4.740 -0.000 0.000 0.289 505 N C -0.042 175.455 175.510 -0.022 0.000 1.209 505 N CA -0.163 52.865 53.050 -0.035 0.000 1.154 505 N CB 0.718 39.186 38.487 -0.031 0.000 1.444 505 N HN 0.668 nan 8.380 nan 0.000 0.529 506 Q N 0.806 120.592 119.800 -0.025 0.000 2.561 506 Q HA -0.166 4.174 4.340 -0.000 0.000 0.217 506 Q C -0.203 175.793 176.000 -0.006 0.000 0.980 506 Q CA 0.708 56.500 55.803 -0.018 0.000 0.927 506 Q CB -0.198 28.521 28.738 -0.030 0.000 0.980 506 Q HN 0.652 nan 8.270 nan 0.000 0.525 507 Q N -0.390 119.407 119.800 -0.005 0.000 2.798 507 Q HA 0.641 4.981 4.340 -0.000 0.000 0.250 507 Q C -0.193 175.809 176.000 0.004 0.000 1.006 507 Q CA -0.377 55.427 55.803 0.001 0.000 0.759 507 Q CB 1.381 30.118 28.738 -0.001 0.000 1.201 507 Q HN 0.118 nan 8.270 nan 0.000 0.486 508 G N 0.543 109.350 108.800 0.010 0.000 2.635 508 G HA2 0.104 4.064 3.960 -0.000 0.000 0.194 508 G HA3 0.104 4.064 3.960 -0.000 0.000 0.194 508 G C -0.596 174.319 174.900 0.025 0.000 1.198 508 G CA -0.318 44.791 45.100 0.015 0.000 0.972 508 G HN 0.204 nan 8.290 nan 0.000 0.520 509 D N 0.127 120.547 120.400 0.033 0.000 2.091 509 D HA 0.058 4.698 4.640 -0.000 0.000 0.199 509 D C 0.849 177.182 176.300 0.054 0.000 0.980 509 D CA 1.287 55.315 54.000 0.046 0.000 0.831 509 D CB 0.005 40.841 40.800 0.061 0.000 0.987 509 D HN 0.117 nan 8.370 nan 0.000 0.460 510 M N 0.319 119.952 119.600 0.056 0.000 2.065 510 M HA 0.269 4.749 4.480 -0.000 0.000 0.308 510 M C -2.180 174.145 176.300 0.040 0.000 0.939 510 M CA -1.545 53.789 55.300 0.058 0.000 0.890 510 M CB 2.298 34.942 32.600 0.075 0.000 1.383 510 M HN -0.272 nan 8.290 nan 0.000 0.381 511 P HA -0.022 nan 4.420 nan 0.000 0.228 511 P C 0.470 177.795 177.300 0.042 0.000 1.151 511 P CA 1.060 64.177 63.100 0.030 0.000 0.770 511 P CB 0.266 31.985 31.700 0.032 0.000 0.786 512 N N -1.339 117.402 118.700 0.069 0.000 2.236 512 N HA 0.069 4.809 4.740 -0.000 0.000 0.196 512 N C 0.171 175.739 175.510 0.097 0.000 1.114 512 N CA -0.120 52.996 53.050 0.110 0.000 0.859 512 N CB 0.076 38.654 38.487 0.152 0.000 0.982 512 N HN 0.147 nan 8.380 nan 0.000 0.493 513 L N 1.670 122.929 121.223 0.059 0.000 2.319 513 L HA 0.303 4.643 4.340 -0.000 0.000 0.280 513 L C -0.278 176.589 176.870 -0.006 0.000 1.099 513 L CA -0.347 54.519 54.840 0.043 0.000 0.828 513 L CB 1.010 43.078 42.059 0.016 0.000 1.150 513 L HN -0.162 nan 8.230 nan 0.000 0.442 514 V N 6.822 126.726 119.914 -0.016 0.000 2.656 514 V HA 0.552 4.671 4.120 -0.000 0.000 0.307 514 V C -0.971 174.981 176.094 -0.236 0.000 1.051 514 V CA -0.769 61.467 62.300 -0.107 0.000 0.893 514 V CB 1.860 33.633 31.823 -0.084 0.000 0.999 514 V HN 0.864 nan 8.190 nan 0.000 0.426 515 L N 6.241 127.245 121.223 -0.364 0.000 2.375 515 L HA 0.827 5.167 4.340 -0.000 0.000 0.268 515 L C -0.872 175.732 176.870 -0.443 0.000 1.058 515 L CA -0.381 54.078 54.840 -0.634 0.000 0.803 515 L CB 1.979 43.676 42.059 -0.603 0.000 1.212 515 L HN 0.657 nan 8.230 nan 0.000 0.451 516 V N 3.302 122.947 119.914 -0.448 0.000 2.380 516 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 516 V C -0.177 175.766 176.094 -0.251 0.000 1.015 516 V CA -0.647 61.458 62.300 -0.325 0.000 0.834 516 V CB 1.058 32.708 31.823 -0.288 0.000 1.009 516 V HN 0.700 nan 8.190 nan 0.000 0.428 517 R N 3.834 124.206 120.500 -0.213 0.000 2.357 517 R HA 0.535 4.875 4.340 -0.000 0.000 0.296 517 R C -0.560 175.663 176.300 -0.129 0.000 1.052 517 R CA -0.613 55.400 56.100 -0.145 0.000 0.988 517 R CB 1.074 31.302 30.300 -0.119 0.000 1.025 517 R HN 0.520 nan 8.270 nan 0.000 0.469 518 I N 5.140 125.658 120.570 -0.087 0.000 2.301 518 I HA 0.001 4.171 4.170 -0.000 0.000 0.292 518 I C 0.719 176.813 176.117 -0.040 0.000 1.046 518 I CA -0.026 61.237 61.300 -0.062 0.000 1.282 518 I CB 1.312 39.295 38.000 -0.029 0.000 1.409 518 I HN 0.638 nan 8.210 nan 0.000 0.484 519 L N 6.385 127.586 121.223 -0.038 0.000 2.567 519 L HA 0.156 4.496 4.340 -0.000 0.000 0.225 519 L C 0.548 177.416 176.870 -0.004 0.000 1.119 519 L CA 0.544 55.370 54.840 -0.024 0.000 0.871 519 L CB -0.432 41.611 42.059 -0.026 0.000 1.036 519 L HN 0.716 nan 8.230 nan 0.000 0.459 520 K N -1.668 118.736 120.400 0.006 0.000 2.927 520 K HA 0.283 4.603 4.320 -0.000 0.000 0.305 520 K C -1.783 174.844 176.600 0.046 0.000 1.129 520 K CA -0.603 55.699 56.287 0.024 0.000 0.898 520 K CB 0.287 32.802 32.500 0.025 0.000 1.401 520 K HN -0.247 nan 8.250 nan 0.000 0.372 521 C N 5.075 124.412 119.300 0.061 0.000 3.199 521 C HA 0.381 4.841 4.460 -0.000 0.000 0.376 521 C C 1.242 176.296 174.990 0.107 0.000 1.023 521 C CA -0.582 58.495 59.018 0.099 0.000 1.304 521 C CB 0.327 28.131 27.740 0.107 0.000 1.676 521 C HN 1.000 nan 8.230 nan 0.000 0.553 522 R N 1.316 121.886 120.500 0.116 0.000 2.103 522 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 522 R C 1.786 178.165 176.300 0.132 0.000 1.132 522 R CA 2.443 58.607 56.100 0.107 0.000 0.925 522 R CB -0.555 29.813 30.300 0.113 0.000 0.842 522 R HN 0.817 nan 8.270 nan 0.000 0.430 523 F N 0.627 120.594 119.950 0.028 0.000 2.225 523 F HA -0.326 4.201 4.527 -0.000 0.000 0.302 523 F C 2.347 178.163 175.800 0.028 0.000 1.068 523 F CA 2.172 60.189 58.000 0.027 0.000 1.327 523 F CB 0.085 39.106 39.000 0.035 0.000 1.043 523 F HN 0.265 nan 8.300 nan 0.000 0.506 524 T N -4.615 109.949 114.554 0.016 0.000 3.115 524 T HA 0.327 4.677 4.350 -0.000 0.000 0.256 524 T C 1.678 176.360 174.700 -0.029 0.000 0.970 524 T CA 0.785 62.841 62.100 -0.073 0.000 1.010 524 T CB 0.162 69.041 68.868 0.019 0.000 1.151 524 T HN 0.514 nan 8.240 nan 0.000 0.479 525 G N 1.724 110.536 108.800 0.020 0.000 2.189 525 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 525 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 525 G C -0.180 174.728 174.900 0.012 0.000 0.975 525 G CA 0.445 45.553 45.100 0.013 0.000 0.644 525 G HN 0.875 nan 8.290 nan 0.000 0.537 526 D N 1.434 121.845 120.400 0.018 0.000 2.339 526 D HA 0.538 5.178 4.640 -0.000 0.000 0.256 526 D C 0.956 177.274 176.300 0.029 0.000 1.214 526 D CA 0.909 54.922 54.000 0.021 0.000 0.877 526 D CB 0.457 41.274 40.800 0.028 0.000 1.111 526 D HN 0.514 nan 8.370 nan 0.000 0.478 527 T N 0.369 114.934 114.554 0.019 0.000 2.831 527 T HA 0.885 5.235 4.350 -0.000 0.000 0.287 527 T C 0.433 175.137 174.700 0.007 0.000 1.070 527 T CA -0.169 61.939 62.100 0.013 0.000 1.010 527 T CB 1.449 70.322 68.868 0.008 0.000 1.264 527 T HN 0.755 nan 8.240 nan 0.000 0.532 528 G N 0.109 108.906 108.800 -0.006 0.000 2.422 528 G HA2 0.187 4.147 3.960 -0.000 0.000 0.607 528 G HA3 0.187 4.147 3.960 -0.000 0.000 0.607 528 G C -0.956 173.930 174.900 -0.024 0.000 1.270 528 G CA -0.634 44.459 45.100 -0.011 0.000 0.992 528 G HN 0.899 nan 8.290 nan 0.000 0.499 529 I N 1.224 121.781 120.570 -0.021 0.000 2.845 529 I HA 0.308 4.478 4.170 -0.000 0.000 0.296 529 I C 1.567 177.685 176.117 0.001 0.000 1.216 529 I CA 1.435 62.716 61.300 -0.032 0.000 1.438 529 I CB 0.690 38.703 38.000 0.020 0.000 1.342 529 I HN 1.518 nan 8.210 nan 0.000 0.577 530 A N 4.254 127.060 122.820 -0.023 0.000 2.671 530 A HA 0.634 4.954 4.320 -0.000 0.000 0.265 530 A C 0.550 178.169 177.584 0.058 0.000 1.148 530 A CA 0.437 52.485 52.037 0.018 0.000 0.977 530 A CB 0.137 19.130 19.000 -0.011 0.000 1.242 530 A HN 1.160 nan 8.150 nan 0.000 0.591 531 G N -1.289 107.560 108.800 0.081 0.000 2.361 531 G HA2 0.353 4.313 3.960 -0.000 0.000 0.331 531 G HA3 0.353 4.313 3.960 -0.000 0.000 0.331 531 G C -1.553 173.443 174.900 0.160 0.000 1.324 531 G CA -0.773 44.467 45.100 0.232 0.000 0.984 531 G HN 0.414 nan 8.290 nan 0.000 0.586 532 Y N -0.550 119.762 120.300 0.020 0.000 2.570 532 Y HA 0.866 5.416 4.550 0.000 0.000 0.345 532 Y C 0.810 176.727 175.900 0.028 0.000 1.014 532 Y CA -1.048 57.041 58.100 -0.018 0.000 1.063 532 Y CB 2.144 40.565 38.460 -0.065 0.000 1.272 532 Y HN 0.709 nan 8.280 nan 0.000 0.477 533 M N 0.831 120.527 119.600 0.159 0.000 2.691 533 M HA 0.591 5.071 4.480 -0.000 0.000 0.293 533 M C -1.451 174.936 176.300 0.146 0.000 1.259 533 M CA -0.976 54.418 55.300 0.156 0.000 0.827 533 M CB 3.085 35.780 32.600 0.157 0.000 1.753 533 M HN 0.659 nan 8.290 nan 0.000 0.465 534 E N 0.520 120.815 120.200 0.158 0.000 2.272 534 E HA 0.350 4.700 4.350 -0.000 0.000 0.269 534 E C -2.143 174.580 176.600 0.205 0.000 0.877 534 E CA -0.610 55.884 56.400 0.157 0.000 0.755 534 E CB 2.135 31.909 29.700 0.124 0.000 1.192 534 E HN 0.615 nan 8.360 nan 0.000 0.422 535 Y N 4.070 124.409 120.300 0.065 0.000 2.436 535 Y HA 0.150 4.700 4.550 -0.000 0.000 0.336 535 Y C -0.116 175.828 175.900 0.072 0.000 1.049 535 Y CA -0.077 58.063 58.100 0.068 0.000 1.294 535 Y CB 0.622 39.107 38.460 0.042 0.000 1.179 535 Y HN 0.635 nan 8.280 nan 0.000 0.520 536 N N 6.080 124.526 118.700 -0.424 0.000 2.602 536 N HA 0.057 4.797 4.740 -0.000 0.000 0.238 536 N C 0.503 175.596 175.510 -0.695 0.000 1.084 536 N CA -0.338 52.489 53.050 -0.371 0.000 0.952 536 N CB 0.424 38.806 38.487 -0.174 0.000 1.244 536 N HN 0.696 nan 8.380 nan 0.000 0.512 537 K N 1.027 121.135 120.400 -0.487 0.000 2.362 537 K HA -0.204 4.116 4.320 -0.000 0.000 0.202 537 K C 1.102 177.613 176.600 -0.148 0.000 1.045 537 K CA 0.924 57.063 56.287 -0.246 0.000 0.936 537 K CB 0.207 32.734 32.500 0.045 0.000 0.747 537 K HN 0.648 nan 8.250 nan 0.000 0.467 538 E N 0.024 120.135 120.200 -0.148 0.000 2.099 538 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 538 E C 2.012 178.587 176.600 -0.042 0.000 0.962 538 E CA 1.458 57.819 56.400 -0.064 0.000 0.826 538 E CB 0.331 30.001 29.700 -0.050 0.000 0.788 538 E HN 0.384 nan 8.360 nan 0.000 0.461 539 T N -3.585 110.939 114.554 -0.050 0.000 3.031 539 T HA 0.206 4.556 4.350 -0.000 0.000 0.254 539 T C 1.456 176.229 174.700 0.122 0.000 1.060 539 T CA 1.192 63.319 62.100 0.046 0.000 1.135 539 T CB 0.645 69.540 68.868 0.045 0.000 0.896 539 T HN 0.257 nan 8.240 nan 0.000 0.472 540 G N -0.077 108.708 108.800 -0.025 0.000 2.184 540 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.206 540 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.206 540 G C -0.253 174.638 174.900 -0.014 0.000 0.995 540 G CA -0.396 44.672 45.100 -0.053 0.000 0.651 540 G HN 0.485 nan 8.290 nan 0.000 0.511 541 W N 0.051 121.266 121.300 -0.142 0.000 2.313 541 W HA 0.733 5.393 4.660 0.000 0.000 0.328 541 W C 0.294 176.838 176.519 0.041 0.000 1.197 541 W CA -0.975 56.350 57.345 -0.033 0.000 1.235 541 W CB 0.713 30.138 29.460 -0.059 0.000 1.158 541 W HN -0.029 nan 8.180 nan 0.000 0.578 542 L N 3.468 124.888 121.223 0.329 0.000 2.404 542 L HA 0.154 4.494 4.340 -0.000 0.000 0.277 542 L C 0.272 177.335 176.870 0.323 0.000 1.184 542 L CA -0.563 54.471 54.840 0.323 0.000 1.013 542 L CB -1.222 41.010 42.059 0.288 0.000 1.318 542 L HN 0.375 nan 8.230 nan 0.000 0.435 543 E N 5.354 125.706 120.200 0.254 0.000 2.383 543 E HA 0.169 4.519 4.350 -0.000 0.000 0.264 543 E C -2.061 174.636 176.600 0.162 0.000 1.050 543 E CA -1.373 55.131 56.400 0.174 0.000 0.896 543 E CB 0.575 30.329 29.700 0.090 0.000 0.982 543 E HN 0.349 nan 8.360 nan 0.000 0.424 544 P HA 0.018 nan 4.420 nan 0.000 0.275 544 P C -0.975 176.398 177.300 0.121 0.000 1.228 544 P CA -0.197 62.985 63.100 0.137 0.000 0.786 544 P CB 1.342 33.112 31.700 0.116 0.000 0.927 545 S N 0.769 116.555 115.700 0.144 0.000 2.548 545 S HA 0.434 4.904 4.470 -0.000 0.000 0.286 545 S C -0.446 174.231 174.600 0.128 0.000 1.098 545 S CA -0.589 57.692 58.200 0.135 0.000 0.930 545 S CB 0.692 63.989 63.200 0.163 0.000 1.070 545 S HN 0.463 nan 8.310 nan 0.000 0.480 546 S N 3.345 119.096 115.700 0.086 0.000 2.515 546 S HA 0.475 4.945 4.470 -0.000 0.000 0.285 546 S C -0.746 173.885 174.600 0.051 0.000 1.265 546 S CA -0.091 58.136 58.200 0.044 0.000 1.079 546 S CB -0.274 62.927 63.200 0.003 0.000 0.877 546 S HN 0.717 nan 8.310 nan 0.000 0.493 547 Y N 0.911 121.098 120.300 -0.188 0.000 2.452 547 Y HA 0.430 4.980 4.550 0.000 0.000 0.323 547 Y C -0.166 175.484 175.900 -0.416 0.000 1.244 547 Y CA -0.349 57.510 58.100 -0.402 0.000 1.158 547 Y CB 1.171 39.156 38.460 -0.791 0.000 1.332 547 Y HN 0.870 nan 8.280 nan 0.000 0.456 548 S N 0.959 116.434 115.700 -0.376 0.000 4.006 548 S HA 0.562 5.032 4.470 -0.000 0.000 0.292 548 S C -0.064 174.466 174.600 -0.117 0.000 1.069 548 S CA -0.215 57.921 58.200 -0.108 0.000 1.237 548 S CB 0.145 63.312 63.200 -0.054 0.000 1.706 548 S HN 1.074 nan 8.310 nan 0.000 0.569 549 G N 0.000 108.769 108.800 -0.052 0.000 5.446 549 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 549 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 549 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 549 G HN 0.000 nan 8.290 nan 0.000 0.925