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 1e6n_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WQYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.700 174.700 0.001 0.000 1.109 3 T CA 0.000 62.110 62.100 0.016 0.000 1.349 3 T CB 0.000 68.883 68.868 0.025 0.000 0.612 4 R N 3.093 123.597 120.500 0.007 0.000 2.583 4 R HA 0.131 4.471 4.340 -0.000 0.000 0.274 4 R C -0.025 176.231 176.300 -0.075 0.000 0.998 4 R CA -0.048 56.043 56.100 -0.015 0.000 1.081 4 R CB 0.399 30.709 30.300 0.017 0.000 0.940 4 R HN 0.386 nan 8.270 nan 0.000 0.413 5 K N 2.734 123.008 120.400 -0.210 0.000 2.298 5 K HA 0.150 4.470 4.320 -0.000 0.000 0.280 5 K C -0.224 176.217 176.600 -0.265 0.000 1.032 5 K CA -0.058 55.989 56.287 -0.400 0.000 0.958 5 K CB 1.468 33.305 32.500 -1.105 0.000 0.978 5 K HN 0.703 nan 8.250 nan 0.000 0.472 6 A N 2.217 124.892 122.820 -0.241 0.000 2.445 6 A HA 0.263 4.583 4.320 -0.000 0.000 0.242 6 A C -0.186 177.332 177.584 -0.111 0.000 1.075 6 A CA -0.339 51.582 52.037 -0.194 0.000 0.777 6 A CB 0.368 19.031 19.000 -0.562 0.000 1.013 6 A HN 0.377 nan 8.150 nan 0.000 0.493 7 V N 4.566 124.490 119.914 0.018 0.000 2.380 7 V HA 0.218 4.338 4.120 -0.000 0.000 0.272 7 V C -0.474 175.642 176.094 0.036 0.000 1.011 7 V CA 0.001 62.370 62.300 0.116 0.000 0.826 7 V CB 0.645 32.602 31.823 0.223 0.000 1.040 7 V HN 0.707 nan 8.190 nan 0.000 0.441 8 I N 4.039 124.535 120.570 -0.123 0.000 2.291 8 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 8 I C 1.005 176.743 176.117 -0.632 0.000 1.050 8 I CA -0.058 61.067 61.300 -0.291 0.000 1.245 8 I CB 1.282 39.060 38.000 -0.370 0.000 1.405 8 I HN 0.619 nan 8.210 nan 0.000 0.478 9 G N 6.120 114.496 108.800 -0.706 0.000 2.404 9 G HA2 0.380 4.340 3.960 -0.000 0.000 0.316 9 G HA3 0.380 4.340 3.960 -0.000 0.000 0.316 9 G C -0.698 173.837 174.900 -0.608 0.000 1.074 9 G CA -0.263 44.088 45.100 -1.248 0.000 0.989 9 G HN 0.369 nan 8.290 nan 0.000 0.430 10 Y N 1.195 121.191 120.300 -0.506 0.000 2.457 10 Y HA 0.284 4.834 4.550 -0.000 0.000 0.341 10 Y C -0.089 175.662 175.900 -0.249 0.000 1.240 10 Y CA 0.471 58.426 58.100 -0.242 0.000 1.437 10 Y CB 0.939 39.361 38.460 -0.063 0.000 1.328 10 Y HN 0.524 nan 8.280 nan 0.000 0.588 11 Y N 4.650 124.807 120.300 -0.238 0.000 2.322 11 Y HA 0.335 4.885 4.550 -0.000 0.000 0.324 11 Y C -1.946 173.704 175.900 -0.415 0.000 1.027 11 Y CA -2.060 55.920 58.100 -0.199 0.000 1.179 11 Y CB 0.419 38.865 38.460 -0.023 0.000 1.136 11 Y HN 0.483 nan 8.280 nan 0.000 0.449 12 F N 7.738 126.993 119.950 -1.158 0.000 2.415 12 F HA 0.714 5.241 4.527 -0.000 0.000 0.348 12 F C -1.224 174.066 175.800 -0.852 0.000 1.119 12 F CA -1.361 55.947 58.000 -1.154 0.000 1.069 12 F CB 0.587 38.777 39.000 -1.349 0.000 1.124 12 F HN 0.369 nan 8.300 nan 0.000 0.472 13 I N 8.180 128.037 120.570 -1.188 0.000 2.468 13 I HA 0.289 4.459 4.170 -0.000 0.000 0.284 13 I C -2.469 173.146 176.117 -0.837 0.000 1.038 13 I CA -2.057 58.760 61.300 -0.804 0.000 1.083 13 I CB 1.712 39.543 38.000 -0.281 0.000 1.223 13 I HN 0.406 nan 8.210 nan 0.000 0.443 14 P HA 0.095 nan 4.420 nan 0.000 0.269 14 P C 0.924 178.132 177.300 -0.152 0.000 1.215 14 P CA 0.006 62.780 63.100 -0.544 0.000 0.780 14 P CB 0.628 32.123 31.700 -0.343 0.000 0.898 15 T N 1.129 115.683 114.554 0.000 0.000 2.721 15 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 15 T C 1.366 176.106 174.700 0.067 0.000 1.038 15 T CA 2.275 64.438 62.100 0.104 0.000 1.145 15 T CB -1.053 67.907 68.868 0.154 0.000 0.858 15 T HN 0.703 nan 8.240 nan 0.000 0.459 16 N N 0.467 119.186 118.700 0.030 0.000 2.494 16 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 16 N C 1.767 177.299 175.510 0.037 0.000 1.076 16 N CA 0.522 53.591 53.050 0.033 0.000 0.908 16 N CB -0.143 38.356 38.487 0.020 0.000 0.967 16 N HN 0.398 nan 8.380 nan 0.000 0.449 17 Q N -0.304 119.514 119.800 0.030 0.000 2.250 17 Q HA 0.106 4.446 4.340 -0.000 0.000 0.200 17 Q C 1.543 177.645 176.000 0.170 0.000 0.941 17 Q CA 0.404 56.248 55.803 0.068 0.000 0.872 17 Q CB 0.219 28.971 28.738 0.025 0.000 0.965 17 Q HN 0.440 nan 8.270 nan 0.000 0.480 18 I N 1.508 122.165 120.570 0.145 0.000 2.142 18 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 18 I C 1.539 177.730 176.117 0.124 0.000 1.078 18 I CA 1.256 62.646 61.300 0.150 0.000 1.343 18 I CB -1.087 36.982 38.000 0.114 0.000 1.046 18 I HN 0.227 nan 8.210 nan 0.000 0.405 19 N N 1.491 120.242 118.700 0.084 0.000 2.430 19 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 19 N C 0.676 176.227 175.510 0.068 0.000 1.032 19 N CA 0.852 53.937 53.050 0.059 0.000 0.893 19 N CB -0.261 38.253 38.487 0.046 0.000 0.957 19 N HN 0.435 nan 8.380 nan 0.000 0.442 20 N N -0.654 118.099 118.700 0.089 0.000 2.451 20 N HA -0.024 4.716 4.740 -0.000 0.000 0.271 20 N C -0.837 174.723 175.510 0.083 0.000 1.410 20 N CA -0.323 52.767 53.050 0.065 0.000 0.884 20 N CB 0.285 38.791 38.487 0.033 0.000 1.332 20 N HN 0.183 nan 8.380 nan 0.000 0.498 21 Y N 2.086 122.395 120.300 0.015 0.000 2.712 21 Y HA 0.084 4.634 4.550 -0.000 0.000 0.333 21 Y C 0.556 176.469 175.900 0.022 0.000 1.225 21 Y CA 1.033 59.150 58.100 0.027 0.000 1.499 21 Y CB 0.561 39.044 38.460 0.039 0.000 1.288 21 Y HN -0.063 nan 8.280 nan 0.000 0.575 22 T N 5.525 119.655 114.554 -0.706 0.000 3.047 22 T HA 0.220 4.570 4.350 -0.000 0.000 0.340 22 T C -0.662 173.706 174.700 -0.553 0.000 1.421 22 T CA -0.782 61.046 62.100 -0.454 0.000 1.090 22 T CB 0.861 69.611 68.868 -0.195 0.000 1.292 22 T HN 0.733 nan 8.240 nan 0.000 0.480 23 E N 2.504 122.506 120.200 -0.330 0.000 2.437 23 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 23 E C 0.871 177.389 176.600 -0.136 0.000 1.029 23 E CA 0.166 56.436 56.400 -0.217 0.000 0.948 23 E CB 0.449 30.096 29.700 -0.088 0.000 1.082 23 E HN 0.753 nan 8.360 nan 0.000 0.456 24 T N -2.966 111.509 114.554 -0.131 0.000 3.016 24 T HA 0.065 4.415 4.350 -0.000 0.000 0.271 24 T C 0.203 174.856 174.700 -0.078 0.000 0.968 24 T CA -0.368 61.680 62.100 -0.087 0.000 0.891 24 T CB 0.481 69.311 68.868 -0.063 0.000 1.149 24 T HN -0.133 nan 8.240 nan 0.000 0.524 25 D N 2.257 122.602 120.400 -0.092 0.000 2.389 25 D HA 0.258 4.898 4.640 -0.000 0.000 0.256 25 D C 1.300 177.558 176.300 -0.069 0.000 1.239 25 D CA -0.139 53.819 54.000 -0.070 0.000 0.925 25 D CB 1.875 42.639 40.800 -0.060 0.000 1.145 25 D HN 0.175 nan 8.370 nan 0.000 0.542 26 T N -0.428 114.092 114.554 -0.055 0.000 2.977 26 T HA -0.173 4.177 4.350 -0.000 0.000 0.271 26 T C 1.784 176.467 174.700 -0.028 0.000 1.105 26 T CA 1.337 63.413 62.100 -0.039 0.000 1.116 26 T CB -0.139 68.712 68.868 -0.028 0.000 0.878 26 T HN 0.265 nan 8.240 nan 0.000 0.509 27 S N 0.625 116.306 115.700 -0.031 0.000 2.447 27 S HA 0.001 4.471 4.470 -0.000 0.000 0.233 27 S C 1.834 176.418 174.600 -0.026 0.000 1.006 27 S CA 0.609 58.793 58.200 -0.027 0.000 0.957 27 S CB -0.589 62.595 63.200 -0.026 0.000 0.773 27 S HN 0.419 nan 8.310 nan 0.000 0.507 28 V N 0.390 120.283 119.914 -0.034 0.000 2.490 28 V HA 0.283 4.403 4.120 -0.000 0.000 0.238 28 V C 0.652 176.727 176.094 -0.033 0.000 1.056 28 V CA 0.486 62.766 62.300 -0.033 0.000 1.075 28 V CB 0.151 31.948 31.823 -0.043 0.000 0.746 28 V HN 0.401 nan 8.190 nan 0.000 0.479 29 V N 1.925 121.806 119.914 -0.055 0.000 2.325 29 V HA 0.297 4.417 4.120 -0.000 0.000 0.280 29 V C -1.823 174.267 176.094 -0.007 0.000 1.016 29 V CA -0.997 61.280 62.300 -0.038 0.000 0.818 29 V CB 1.410 33.149 31.823 -0.139 0.000 1.019 29 V HN 0.305 nan 8.190 nan 0.000 0.434 30 P HA -0.091 nan 4.420 nan 0.000 0.216 30 P C 0.190 177.588 177.300 0.162 0.000 1.150 30 P CA 1.257 64.408 63.100 0.084 0.000 0.837 30 P CB 0.216 31.975 31.700 0.100 0.000 0.786 31 F N -0.416 119.577 119.950 0.071 0.000 2.686 31 F HA 0.424 4.951 4.527 -0.000 0.000 0.365 31 F C -2.781 173.159 175.800 0.233 0.000 1.196 31 F CA -2.957 55.128 58.000 0.143 0.000 1.198 31 F CB 0.919 40.035 39.000 0.192 0.000 1.454 31 F HN -0.192 nan 8.300 nan 0.000 0.539 32 P HA 0.119 nan 4.420 nan 0.000 0.274 32 P C 0.940 178.374 177.300 0.223 0.000 1.246 32 P CA -0.247 62.959 63.100 0.178 0.000 0.795 32 P CB 1.197 32.850 31.700 -0.079 0.000 1.006 33 V N 0.618 120.772 119.914 0.400 0.000 2.688 33 V HA -0.229 3.891 4.120 -0.000 0.000 0.256 33 V C 2.120 178.264 176.094 0.083 0.000 1.084 33 V CA 2.503 64.939 62.300 0.227 0.000 1.103 33 V CB -1.632 30.329 31.823 0.230 0.000 0.688 33 V HN 0.709 nan 8.190 nan 0.000 0.480 34 S N -0.033 115.699 115.700 0.053 0.000 2.469 34 S HA -0.194 4.276 4.470 -0.000 0.000 0.238 34 S C 1.659 176.203 174.600 -0.094 0.000 0.998 34 S CA 1.359 59.551 58.200 -0.012 0.000 0.957 34 S CB -0.720 62.467 63.200 -0.021 0.000 0.764 34 S HN 0.711 nan 8.310 nan 0.000 0.514 35 N N 1.165 119.737 118.700 -0.214 0.000 2.381 35 N HA 0.080 4.820 4.740 -0.000 0.000 0.182 35 N C 0.062 175.491 175.510 -0.135 0.000 1.025 35 N CA 0.765 53.601 53.050 -0.357 0.000 0.888 35 N CB -0.112 37.712 38.487 -1.105 0.000 0.965 35 N HN 0.516 nan 8.380 nan 0.000 0.438 36 I N 2.557 123.110 120.570 -0.028 0.000 2.243 36 I HA 0.016 4.186 4.170 -0.000 0.000 0.297 36 I C 0.809 176.928 176.117 0.004 0.000 1.161 36 I CA -0.377 60.953 61.300 0.049 0.000 1.298 36 I CB 0.104 38.146 38.000 0.071 0.000 1.475 36 I HN -0.044 nan 8.210 nan 0.000 0.561 37 T N 2.587 117.128 114.554 -0.022 0.000 2.766 37 T HA 0.194 4.544 4.350 -0.000 0.000 0.295 37 T C -1.653 172.970 174.700 -0.129 0.000 1.024 37 T CA -1.414 60.639 62.100 -0.079 0.000 1.018 37 T CB 0.851 69.676 68.868 -0.071 0.000 1.002 37 T HN 0.190 nan 8.240 nan 0.000 0.532 38 P HA -0.090 nan 4.420 nan 0.000 0.216 38 P C 1.701 178.928 177.300 -0.123 0.000 1.153 38 P CA 1.689 64.531 63.100 -0.429 0.000 0.858 38 P CB -0.356 30.924 31.700 -0.700 0.000 0.789 39 A N -0.248 122.521 122.820 -0.086 0.000 1.933 39 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 39 A C 2.097 179.685 177.584 0.007 0.000 1.175 39 A CA 1.772 53.794 52.037 -0.024 0.000 0.628 39 A CB -0.986 18.000 19.000 -0.022 0.000 0.814 39 A HN 0.162 nan 8.150 nan 0.000 0.444 40 K N -0.478 119.930 120.400 0.012 0.000 2.103 40 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 40 K C 2.304 178.947 176.600 0.072 0.000 1.052 40 K CA 0.895 57.215 56.287 0.054 0.000 0.945 40 K CB -0.293 32.254 32.500 0.079 0.000 0.722 40 K HN 0.422 nan 8.250 nan 0.000 0.443 41 A N 2.024 124.879 122.820 0.059 0.000 1.940 41 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 41 A C 1.828 179.463 177.584 0.085 0.000 1.176 41 A CA 1.595 53.682 52.037 0.085 0.000 0.631 41 A CB -0.302 18.768 19.000 0.118 0.000 0.814 41 A HN 0.206 nan 8.150 nan 0.000 0.446 42 K N -0.516 119.928 120.400 0.073 0.000 2.283 42 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 42 K C 1.959 178.601 176.600 0.071 0.000 1.048 42 K CA 1.321 57.650 56.287 0.069 0.000 0.948 42 K CB -0.085 32.450 32.500 0.057 0.000 0.742 42 K HN 0.657 nan 8.250 nan 0.000 0.458 43 Q N 0.094 119.940 119.800 0.076 0.000 2.432 43 Q HA 0.085 4.425 4.340 -0.000 0.000 0.205 43 Q C 0.036 176.110 176.000 0.124 0.000 0.945 43 Q CA 0.260 56.115 55.803 0.088 0.000 0.924 43 Q CB 0.229 29.010 28.738 0.072 0.000 1.016 43 Q HN 0.202 nan 8.270 nan 0.000 0.503 44 L N 0.030 121.327 121.223 0.123 0.000 2.360 44 L HA 0.224 4.564 4.340 -0.000 0.000 0.271 44 L C 1.168 178.098 176.870 0.100 0.000 1.057 44 L CA -0.145 54.776 54.840 0.134 0.000 0.803 44 L CB 1.469 43.603 42.059 0.124 0.000 1.207 44 L HN 0.049 nan 8.230 nan 0.000 0.445 45 T N -3.767 110.858 114.554 0.118 0.000 2.964 45 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 45 T C 0.226 174.907 174.700 -0.032 0.000 1.000 45 T CA 0.043 62.192 62.100 0.083 0.000 0.992 45 T CB 0.097 69.077 68.868 0.187 0.000 1.087 45 T HN 0.509 nan 8.240 nan 0.000 0.489 46 H N -0.404 118.652 119.070 -0.023 0.000 2.894 46 H HA 0.695 5.251 4.556 -0.000 0.000 0.367 46 H C -1.349 173.928 175.328 -0.085 0.000 1.144 46 H CA -0.857 55.166 56.048 -0.041 0.000 1.180 46 H CB 1.757 31.468 29.762 -0.085 0.000 1.758 46 H HN 0.168 nan 8.280 nan 0.000 0.541 47 I N 2.410 123.024 120.570 0.073 0.000 2.418 47 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 47 I C -0.610 175.528 176.117 0.035 0.000 1.008 47 I CA -0.811 60.501 61.300 0.019 0.000 1.104 47 I CB 1.324 39.366 38.000 0.070 0.000 1.264 47 I HN 0.505 nan 8.210 nan 0.000 0.438 48 N N 6.686 125.314 118.700 -0.120 0.000 2.645 48 N HA 0.188 4.928 4.740 -0.000 0.000 0.233 48 N C -0.568 174.957 175.510 0.025 0.000 1.058 48 N CA -0.323 52.633 53.050 -0.157 0.000 0.942 48 N CB 0.491 38.568 38.487 -0.682 0.000 1.210 48 N HN 0.407 nan 8.380 nan 0.000 0.512 49 F N 1.913 121.923 119.950 0.099 0.000 2.578 49 F HA 0.051 4.578 4.527 -0.000 0.000 0.381 49 F C 0.102 175.933 175.800 0.052 0.000 1.069 49 F CA 0.293 58.400 58.000 0.178 0.000 1.231 49 F CB 0.372 39.575 39.000 0.337 0.000 1.086 49 F HN 0.164 nan 8.300 nan 0.000 0.564 50 S N 6.463 121.660 115.700 -0.840 0.000 2.500 50 S HA 0.704 5.174 4.470 -0.000 0.000 0.301 50 S C -1.249 173.024 174.600 -0.545 0.000 1.092 50 S CA -0.462 57.290 58.200 -0.746 0.000 1.030 50 S CB 1.220 63.707 63.200 -1.188 0.000 1.031 50 S HN 0.477 nan 8.310 nan 0.000 0.483 51 F N 1.221 121.262 119.950 0.152 0.000 2.588 51 F HA 0.650 5.177 4.527 -0.000 0.000 0.314 51 F C -0.441 175.558 175.800 0.332 0.000 1.069 51 F CA -0.907 57.260 58.000 0.277 0.000 0.931 51 F CB 1.126 40.333 39.000 0.346 0.000 1.260 51 F HN 0.315 nan 8.300 nan 0.000 0.465 52 L N 1.043 122.543 121.223 0.462 0.000 2.376 52 L HA 0.579 4.919 4.340 -0.000 0.000 0.267 52 L C -0.478 176.525 176.870 0.223 0.000 1.035 52 L CA -0.229 54.701 54.840 0.150 0.000 0.800 52 L CB 1.187 43.174 42.059 -0.120 0.000 1.290 52 L HN 0.560 nan 8.230 nan 0.000 0.462 53 D N -0.972 119.407 120.400 -0.034 0.000 2.714 53 D HA 0.520 5.160 4.640 -0.000 0.000 0.278 53 D C -1.354 174.836 176.300 -0.183 0.000 1.102 53 D CA -0.318 53.556 54.000 -0.210 0.000 1.108 53 D CB 1.614 41.976 40.800 -0.730 0.000 1.444 53 D HN 0.240 nan 8.370 nan 0.000 0.568 54 I N 2.626 122.973 120.570 -0.371 0.000 2.382 54 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 54 I C 0.090 175.999 176.117 -0.347 0.000 1.007 54 I CA -0.867 60.168 61.300 -0.442 0.000 1.142 54 I CB 1.043 38.447 38.000 -0.994 0.000 1.289 54 I HN 0.308 nan 8.210 nan 0.000 0.453 55 N N 3.723 122.304 118.700 -0.198 0.000 2.328 55 N HA 0.054 4.794 4.740 -0.000 0.000 0.277 55 N C 1.051 176.476 175.510 -0.143 0.000 1.286 55 N CA -0.320 52.642 53.050 -0.146 0.000 0.949 55 N CB 0.181 38.624 38.487 -0.074 0.000 1.136 55 N HN 0.514 nan 8.380 nan 0.000 0.550 56 S N -1.945 113.697 115.700 -0.096 0.000 2.442 56 S HA -0.171 4.299 4.470 -0.000 0.000 0.236 56 S C 1.218 175.774 174.600 -0.073 0.000 1.007 56 S CA 0.961 59.111 58.200 -0.084 0.000 0.965 56 S CB -0.632 62.535 63.200 -0.054 0.000 0.773 56 S HN 0.699 nan 8.310 nan 0.000 0.504 57 N N 1.370 120.036 118.700 -0.057 0.000 2.461 57 N HA 0.150 4.890 4.740 -0.000 0.000 0.188 57 N C 0.354 175.837 175.510 -0.045 0.000 1.134 57 N CA 0.036 53.062 53.050 -0.039 0.000 0.878 57 N CB -0.803 37.673 38.487 -0.018 0.000 0.972 57 N HN 0.547 nan 8.380 nan 0.000 0.456 58 L N -0.750 120.421 121.223 -0.086 0.000 3.898 58 L HA -0.262 4.078 4.340 -0.000 0.000 0.407 58 L C -0.763 176.109 176.870 0.004 0.000 1.207 58 L CA 0.636 55.408 54.840 -0.113 0.000 0.931 58 L CB -1.836 40.162 42.059 -0.103 0.000 2.014 58 L HN 0.291 nan 8.230 nan 0.000 0.858 59 E N -0.713 119.508 120.200 0.036 0.000 2.336 59 E HA 0.419 4.769 4.350 -0.000 0.000 0.267 59 E C -0.414 176.260 176.600 0.123 0.000 0.906 59 E CA -0.786 55.697 56.400 0.138 0.000 0.781 59 E CB 2.672 32.405 29.700 0.055 0.000 1.261 59 E HN 0.260 nan 8.360 nan 0.000 0.436 60 C N 1.848 121.234 119.300 0.144 0.000 2.637 60 C HA 0.667 5.127 4.460 -0.000 0.000 0.418 60 C C -0.030 174.961 174.990 0.002 0.000 1.319 60 C CA 0.209 59.286 59.018 0.098 0.000 1.949 60 C CB -1.571 26.200 27.740 0.052 0.000 2.639 60 C HN 0.649 nan 8.230 nan 0.000 0.594 61 A N 5.055 127.851 122.820 -0.041 0.000 2.597 61 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 61 A C -1.338 176.224 177.584 -0.036 0.000 1.057 61 A CA -0.692 51.336 52.037 -0.015 0.000 0.674 61 A CB 0.083 19.111 19.000 0.046 0.000 1.278 61 A HN 0.922 nan 8.150 nan 0.000 0.416 62 W N 1.001 122.272 121.300 -0.047 0.000 2.049 62 W HA 0.337 4.997 4.660 -0.000 0.000 0.356 62 W C 0.890 177.423 176.519 0.023 0.000 1.323 62 W CA 0.764 58.108 57.345 -0.001 0.000 1.336 62 W CB 0.366 29.809 29.460 -0.029 0.000 1.176 62 W HN 0.703 nan 8.180 nan 0.000 0.623 63 D N 1.509 122.127 120.400 0.364 0.000 2.488 63 D HA -0.047 4.593 4.640 -0.000 0.000 0.238 63 D C -1.381 175.042 176.300 0.206 0.000 1.138 63 D CA -0.719 53.433 54.000 0.253 0.000 0.873 63 D CB 1.314 42.332 40.800 0.364 0.000 1.183 63 D HN -0.034 nan 8.370 nan 0.000 0.458 64 P HA -0.144 nan 4.420 nan 0.000 0.217 64 P C 0.547 177.907 177.300 0.100 0.000 1.151 64 P CA 1.510 64.672 63.100 0.103 0.000 0.849 64 P CB 0.126 31.873 31.700 0.078 0.000 0.787 65 A N -1.676 121.215 122.820 0.117 0.000 2.276 65 A HA 0.087 4.407 4.320 -0.000 0.000 0.212 65 A C 0.666 178.303 177.584 0.089 0.000 1.230 65 A CA 0.452 52.546 52.037 0.095 0.000 0.844 65 A CB -1.112 17.948 19.000 0.100 0.000 0.860 65 A HN 0.116 nan 8.150 nan 0.000 0.486 66 T N 1.473 116.090 114.554 0.104 0.000 2.832 66 T HA 0.171 4.521 4.350 -0.000 0.000 0.296 66 T C 0.217 174.905 174.700 -0.020 0.000 0.968 66 T CA -0.401 61.736 62.100 0.062 0.000 1.107 66 T CB 0.620 69.543 68.868 0.093 0.000 0.916 66 T HN 0.401 nan 8.240 nan 0.000 0.517 67 N N 2.277 120.951 118.700 -0.043 0.000 2.399 67 N HA 0.015 4.755 4.740 -0.000 0.000 0.259 67 N C 0.745 176.163 175.510 -0.152 0.000 1.160 67 N CA -0.331 52.679 53.050 -0.067 0.000 0.946 67 N CB 0.809 39.272 38.487 -0.040 0.000 1.156 67 N HN 0.585 nan 8.380 nan 0.000 0.489 68 D N 3.412 123.714 120.400 -0.162 0.000 2.190 68 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 68 D C 1.534 177.711 176.300 -0.205 0.000 0.992 68 D CA 1.680 55.544 54.000 -0.228 0.000 0.854 68 D CB 0.210 40.927 40.800 -0.139 0.000 0.936 68 D HN 0.651 nan 8.370 nan 0.000 0.462 69 A N 0.326 123.060 122.820 -0.143 0.000 1.898 69 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 69 A C 2.131 179.634 177.584 -0.135 0.000 1.181 69 A CA 1.193 53.156 52.037 -0.124 0.000 0.620 69 A CB -0.323 18.627 19.000 -0.083 0.000 0.819 69 A HN 0.117 nan 8.150 nan 0.000 0.442 70 K N -0.235 120.089 120.400 -0.127 0.000 2.097 70 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 70 K C 2.335 178.807 176.600 -0.213 0.000 1.050 70 K CA 1.055 57.270 56.287 -0.120 0.000 0.938 70 K CB -0.386 32.082 32.500 -0.054 0.000 0.718 70 K HN 0.438 nan 8.250 nan 0.000 0.442 71 A N 1.970 124.600 122.820 -0.316 0.000 1.865 71 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 71 A C 2.168 179.523 177.584 -0.382 0.000 1.191 71 A CA 1.443 53.161 52.037 -0.532 0.000 0.623 71 A CB -0.477 17.829 19.000 -1.156 0.000 0.826 71 A HN 0.250 nan 8.150 nan 0.000 0.444 72 R N -0.738 119.608 120.500 -0.256 0.000 2.096 72 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 72 R C 1.970 178.173 176.300 -0.162 0.000 1.127 72 R CA 1.531 57.542 56.100 -0.148 0.000 0.968 72 R CB -0.437 29.759 30.300 -0.174 0.000 0.861 72 R HN 0.721 nan 8.270 nan 0.000 0.440 73 D N 0.113 120.413 120.400 -0.168 0.000 2.117 73 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 73 D C 1.719 177.907 176.300 -0.187 0.000 0.987 73 D CA 0.957 54.871 54.000 -0.144 0.000 0.829 73 D CB 0.222 40.955 40.800 -0.111 0.000 0.961 73 D HN -0.057 nan 8.370 nan 0.000 0.460 74 V N -0.126 119.619 119.914 -0.282 0.000 2.358 74 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 74 V C 2.598 178.598 176.094 -0.156 0.000 1.047 74 V CA 1.254 63.352 62.300 -0.336 0.000 1.035 74 V CB -0.375 31.212 31.823 -0.393 0.000 0.658 74 V HN 0.169 nan 8.190 nan 0.000 0.452 75 V N 0.814 120.623 119.914 -0.176 0.000 2.343 75 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 75 V C 2.334 178.352 176.094 -0.126 0.000 1.051 75 V CA 2.112 64.311 62.300 -0.168 0.000 1.036 75 V CB -0.916 30.747 31.823 -0.267 0.000 0.654 75 V HN 0.562 nan 8.190 nan 0.000 0.451 76 N N 0.297 118.923 118.700 -0.122 0.000 2.166 76 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 76 N C 1.960 177.443 175.510 -0.045 0.000 1.019 76 N CA 1.235 54.231 53.050 -0.089 0.000 0.856 76 N CB -0.376 38.058 38.487 -0.088 0.000 0.993 76 N HN 0.475 nan 8.380 nan 0.000 0.426 77 R N 0.433 120.912 120.500 -0.036 0.000 2.081 77 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 77 R C 2.212 178.534 176.300 0.036 0.000 1.131 77 R CA 0.817 56.924 56.100 0.012 0.000 0.960 77 R CB -0.320 29.998 30.300 0.029 0.000 0.856 77 R HN 0.216 nan 8.270 nan 0.000 0.436 78 L N -0.096 121.151 121.223 0.041 0.000 2.005 78 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 78 L C 2.711 179.613 176.870 0.054 0.000 1.072 78 L CA 1.826 56.708 54.840 0.069 0.000 0.744 78 L CB -0.967 41.174 42.059 0.136 0.000 0.895 78 L HN 0.370 nan 8.230 nan 0.000 0.433 79 T N -2.382 112.185 114.554 0.022 0.000 2.929 79 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 79 T C 1.794 176.495 174.700 0.001 0.000 1.085 79 T CA 0.877 62.985 62.100 0.012 0.000 1.125 79 T CB -0.309 68.544 68.868 -0.025 0.000 0.874 79 T HN 0.320 nan 8.240 nan 0.000 0.494 80 A N 1.520 124.340 122.820 0.001 0.000 2.015 80 A HA 0.248 4.568 4.320 -0.000 0.000 0.219 80 A C 2.311 179.892 177.584 -0.006 0.000 1.163 80 A CA 0.867 52.898 52.037 -0.010 0.000 0.646 80 A CB -0.783 18.221 19.000 0.008 0.000 0.806 80 A HN 0.592 nan 8.150 nan 0.000 0.448 81 L N -0.954 120.302 121.223 0.054 0.000 2.362 81 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 81 L C 2.205 179.110 176.870 0.058 0.000 1.134 81 L CA 1.095 56.013 54.840 0.129 0.000 0.807 81 L CB -0.386 41.749 42.059 0.126 0.000 0.927 81 L HN 0.324 nan 8.230 nan 0.000 0.447 82 K N 0.330 120.731 120.400 0.001 0.000 2.360 82 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 82 K C 2.213 178.767 176.600 -0.077 0.000 1.046 82 K CA 0.965 57.241 56.287 -0.018 0.000 0.945 82 K CB -0.135 32.357 32.500 -0.013 0.000 0.750 82 K HN 0.310 nan 8.250 nan 0.000 0.464 83 A N 0.545 123.255 122.820 -0.182 0.000 1.972 83 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 83 A C 1.317 178.703 177.584 -0.331 0.000 1.169 83 A CA 1.375 53.238 52.037 -0.290 0.000 0.635 83 A CB -0.557 18.193 19.000 -0.415 0.000 0.810 83 A HN 0.386 nan 8.150 nan 0.000 0.446 84 H N -1.906 117.170 119.070 0.010 0.000 2.551 84 H HA 0.154 4.710 4.556 -0.000 0.000 0.266 84 H C 0.124 175.460 175.328 0.013 0.000 0.964 84 H CA 0.669 56.724 56.048 0.012 0.000 1.180 84 H CB 0.260 30.031 29.762 0.015 0.000 1.408 84 H HN 0.464 nan 8.280 nan 0.000 0.563 85 N N 0.151 118.898 118.700 0.078 0.000 2.629 85 N HA 0.043 4.783 4.740 -0.000 0.000 0.277 85 N C -2.350 173.170 175.510 0.017 0.000 1.188 85 N CA -1.908 51.175 53.050 0.055 0.000 0.835 85 N CB 1.459 39.987 38.487 0.068 0.000 1.420 85 N HN -0.138 nan 8.380 nan 0.000 0.542 86 P HA -0.033 nan 4.420 nan 0.000 0.225 86 P C 0.324 177.614 177.300 -0.016 0.000 1.148 86 P CA 0.795 63.889 63.100 -0.010 0.000 0.779 86 P CB 0.458 32.154 31.700 -0.007 0.000 0.780 87 S N -0.774 114.919 115.700 -0.011 0.000 2.556 87 S HA 0.103 4.573 4.470 -0.000 0.000 0.216 87 S C 0.759 175.321 174.600 -0.062 0.000 0.970 87 S CA -0.438 57.746 58.200 -0.027 0.000 0.912 87 S CB -0.430 62.766 63.200 -0.006 0.000 0.790 87 S HN 0.070 nan 8.310 nan 0.000 0.504 88 L N 3.189 124.387 121.223 -0.042 0.000 2.410 88 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 88 L C -0.045 176.780 176.870 -0.076 0.000 1.152 88 L CA 0.328 55.135 54.840 -0.056 0.000 0.855 88 L CB 0.257 42.318 42.059 0.004 0.000 1.129 88 L HN -0.010 nan 8.230 nan 0.000 0.463 89 R N 5.745 126.161 120.500 -0.140 0.000 2.534 89 R HA 0.544 4.884 4.340 -0.000 0.000 0.301 89 R C -1.157 175.174 176.300 0.052 0.000 0.961 89 R CA -0.916 55.142 56.100 -0.069 0.000 0.871 89 R CB 1.647 31.836 30.300 -0.185 0.000 1.170 89 R HN 0.496 nan 8.270 nan 0.000 0.446 90 I N 4.959 125.625 120.570 0.161 0.000 2.306 90 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 90 I C 0.333 176.696 176.117 0.409 0.000 1.036 90 I CA -0.117 61.350 61.300 0.277 0.000 1.221 90 I CB 0.734 38.916 38.000 0.304 0.000 1.385 90 I HN 0.526 nan 8.210 nan 0.000 0.472 91 M N 6.435 126.209 119.600 0.291 0.000 2.613 91 M HA 0.539 5.019 4.480 -0.000 0.000 0.301 91 M C -0.425 175.897 176.300 0.037 0.000 1.205 91 M CA -0.615 54.789 55.300 0.174 0.000 0.950 91 M CB 1.853 34.482 32.600 0.048 0.000 1.585 91 M HN 0.381 nan 8.290 nan 0.000 0.490 92 F N -1.027 118.673 119.950 -0.418 0.000 2.563 92 F HA 0.767 5.294 4.527 -0.000 0.000 0.316 92 F C -0.495 175.193 175.800 -0.185 0.000 1.076 92 F CA -0.989 56.669 58.000 -0.570 0.000 0.921 92 F CB 1.412 39.523 39.000 -1.481 0.000 1.209 92 F HN 0.486 nan 8.300 nan 0.000 0.462 93 S N 3.321 119.055 115.700 0.055 0.000 2.472 93 S HA 0.718 5.188 4.470 -0.000 0.000 0.303 93 S C -0.861 173.975 174.600 0.393 0.000 1.099 93 S CA -0.681 57.632 58.200 0.188 0.000 1.077 93 S CB 0.579 64.070 63.200 0.485 0.000 1.031 93 S HN 0.630 nan 8.310 nan 0.000 0.487 94 I N 4.790 125.531 120.570 0.286 0.000 2.321 94 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 94 I C 1.058 177.370 176.117 0.323 0.000 0.998 94 I CA 0.018 61.523 61.300 0.343 0.000 1.227 94 I CB 0.940 39.122 38.000 0.303 0.000 1.368 94 I HN 0.997 nan 8.210 nan 0.000 0.466 95 G N 4.361 113.325 108.800 0.274 0.000 2.731 95 G HA2 0.277 4.237 3.960 -0.000 0.000 0.218 95 G HA3 0.277 4.237 3.960 -0.000 0.000 0.218 95 G C 0.110 174.622 174.900 -0.648 0.000 1.349 95 G CA 0.075 45.160 45.100 -0.026 0.000 1.225 95 G HN 1.489 nan 8.290 nan 0.000 0.526 96 G N -1.673 106.521 108.800 -1.008 0.000 2.746 96 G HA2 0.075 4.035 3.960 -0.000 0.000 0.685 96 G HA3 0.075 4.035 3.960 -0.000 0.000 0.685 96 G C 0.751 175.188 174.900 -0.771 0.000 1.350 96 G CA 0.564 44.720 45.100 -1.573 0.000 0.837 96 G HN 2.026 nan 8.290 nan 0.000 0.564 97 W N 0.282 121.145 121.300 -0.727 0.000 2.333 97 W HA -0.196 4.464 4.660 -0.000 0.000 0.316 97 W C 2.055 178.334 176.519 -0.400 0.000 1.215 97 W CA 2.700 59.737 57.345 -0.513 0.000 1.278 97 W CB -0.471 28.730 29.460 -0.431 0.000 1.154 97 W HN 0.699 nan 8.180 nan 0.000 0.486 98 Y N 0.619 120.647 120.300 -0.454 0.000 2.128 98 Y HA -0.339 4.211 4.550 -0.000 0.000 0.284 98 Y C 2.460 178.097 175.900 -0.438 0.000 1.154 98 Y CA 2.854 60.685 58.100 -0.449 0.000 1.149 98 Y CB -1.177 37.088 38.460 -0.325 0.000 0.976 98 Y HN -0.076 nan 8.280 nan 0.000 0.505 99 Y N -0.940 119.143 120.300 -0.361 0.000 2.243 99 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 99 Y C 2.793 178.358 175.900 -0.558 0.000 1.124 99 Y CA 1.119 58.998 58.100 -0.367 0.000 1.159 99 Y CB -1.043 37.339 38.460 -0.130 0.000 1.008 99 Y HN 0.243 nan 8.280 nan 0.000 0.527 100 S N 0.031 115.377 115.700 -0.591 0.000 2.540 100 S HA 0.090 4.560 4.470 -0.000 0.000 0.218 100 S C 0.326 174.591 174.600 -0.559 0.000 0.977 100 S CA -0.429 57.295 58.200 -0.794 0.000 0.918 100 S CB -1.277 61.257 63.200 -1.109 0.000 0.806 100 S HN 0.479 nan 8.310 nan 0.000 0.496 101 N N 1.710 119.941 118.700 -0.781 0.000 2.326 101 N HA 0.107 4.847 4.740 -0.000 0.000 0.239 101 N C 0.233 175.382 175.510 -0.601 0.000 1.301 101 N CA -0.036 52.519 53.050 -0.826 0.000 0.909 101 N CB 0.108 37.668 38.487 -1.544 0.000 1.156 101 N HN -0.176 nan 8.380 nan 0.000 0.462 102 D N -0.422 119.638 120.400 -0.566 0.000 2.203 102 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 102 D C 0.998 176.870 176.300 -0.713 0.000 0.997 102 D CA 1.405 54.980 54.000 -0.707 0.000 0.863 102 D CB -0.122 40.446 40.800 -0.387 0.000 0.928 102 D HN 0.518 nan 8.370 nan 0.000 0.458 103 L N -0.255 120.662 121.223 -0.511 0.000 2.857 103 L HA 0.309 4.649 4.340 -0.000 0.000 0.249 103 L C 1.287 177.927 176.870 -0.383 0.000 1.172 103 L CA -0.527 54.093 54.840 -0.368 0.000 0.980 103 L CB 0.546 42.453 42.059 -0.254 0.000 1.299 103 L HN -0.140 nan 8.230 nan 0.000 0.535 104 G N 0.261 108.774 108.800 -0.479 0.000 2.664 104 G HA2 0.217 4.177 3.960 -0.000 0.000 0.242 104 G HA3 0.217 4.177 3.960 -0.000 0.000 0.242 104 G C 1.269 175.972 174.900 -0.328 0.000 1.225 104 G CA 0.138 44.931 45.100 -0.511 0.000 0.849 104 G HN 0.036 nan 8.290 nan 0.000 0.581 105 V N -1.357 118.330 119.914 -0.379 0.000 2.490 105 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 105 V C 1.927 177.975 176.094 -0.078 0.000 1.061 105 V CA 2.285 64.473 62.300 -0.187 0.000 1.064 105 V CB -0.350 31.394 31.823 -0.133 0.000 0.670 105 V HN 0.437 nan 8.190 nan 0.000 0.461 106 S N -0.927 114.741 115.700 -0.052 0.000 2.568 106 S HA 0.183 4.653 4.470 -0.000 0.000 0.232 106 S C 1.335 175.950 174.600 0.025 0.000 0.975 106 S CA 0.389 58.582 58.200 -0.012 0.000 0.949 106 S CB -0.385 62.829 63.200 0.022 0.000 0.829 106 S HN 0.862 nan 8.310 nan 0.000 0.479 107 H N 3.247 122.234 119.070 -0.138 0.000 2.292 107 H HA -0.217 4.339 4.556 -0.000 0.000 0.292 107 H C 2.076 177.343 175.328 -0.102 0.000 1.100 107 H CA 2.270 58.218 56.048 -0.167 0.000 1.238 107 H CB -0.387 29.261 29.762 -0.190 0.000 1.355 107 H HN 0.389 nan 8.280 nan 0.000 0.484 108 A N 0.341 123.060 122.820 -0.168 0.000 1.972 108 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 108 A C 2.202 179.623 177.584 -0.272 0.000 1.169 108 A CA 1.670 53.579 52.037 -0.212 0.000 0.635 108 A CB -0.402 18.550 19.000 -0.080 0.000 0.810 108 A HN 0.639 nan 8.150 nan 0.000 0.446 109 N N -1.003 117.538 118.700 -0.265 0.000 2.223 109 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 109 N C 1.384 176.531 175.510 -0.604 0.000 1.016 109 N CA 1.531 54.357 53.050 -0.373 0.000 0.863 109 N CB -0.577 37.684 38.487 -0.377 0.000 0.983 109 N HN 0.664 nan 8.380 nan 0.000 0.429 110 Y N 0.930 120.780 120.300 -0.750 0.000 2.184 110 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 110 Y C 2.489 177.772 175.900 -1.028 0.000 1.129 110 Y CA 0.535 57.929 58.100 -1.178 0.000 1.144 110 Y CB -0.654 36.654 38.460 -1.920 0.000 0.995 110 Y HN -0.188 nan 8.280 nan 0.000 0.513 111 V N 0.536 120.104 119.914 -0.577 0.000 2.343 111 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 111 V C 1.896 177.904 176.094 -0.144 0.000 1.051 111 V CA 2.052 64.236 62.300 -0.193 0.000 1.036 111 V CB -0.560 31.172 31.823 -0.153 0.000 0.654 111 V HN 0.461 nan 8.190 nan 0.000 0.451 112 N N 0.617 119.188 118.700 -0.215 0.000 2.135 112 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 112 N C 1.977 177.384 175.510 -0.173 0.000 1.027 112 N CA 1.576 54.532 53.050 -0.156 0.000 0.849 112 N CB -0.656 37.740 38.487 -0.151 0.000 1.002 112 N HN 0.445 nan 8.380 nan 0.000 0.425 113 A N 0.933 123.572 122.820 -0.302 0.000 1.958 113 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 113 A C 2.202 179.669 177.584 -0.195 0.000 1.178 113 A CA 2.266 54.103 52.037 -0.334 0.000 0.642 113 A CB -0.781 17.781 19.000 -0.729 0.000 0.816 113 A HN 0.265 nan 8.150 nan 0.000 0.453 114 V N -4.045 115.790 119.914 -0.133 0.000 3.649 114 V HA 0.126 4.246 4.120 -0.000 0.000 0.275 114 V C 1.673 177.801 176.094 0.057 0.000 1.281 114 V CA 1.037 63.354 62.300 0.028 0.000 1.143 114 V CB -0.352 31.585 31.823 0.191 0.000 0.892 114 V HN 0.384 nan 8.190 nan 0.000 0.441 115 K N 1.810 122.222 120.400 0.021 0.000 2.009 115 K HA -0.074 4.246 4.320 -0.000 0.000 0.210 115 K C 1.232 177.850 176.600 0.030 0.000 1.049 115 K CA 2.071 58.376 56.287 0.029 0.000 0.929 115 K CB -0.241 32.263 32.500 0.006 0.000 0.714 115 K HN 0.780 nan 8.250 nan 0.000 0.440 116 T N -3.063 111.504 114.554 0.021 0.000 2.942 116 T HA 0.266 4.616 4.350 -0.000 0.000 0.289 116 T C -2.423 172.294 174.700 0.029 0.000 1.044 116 T CA -2.102 60.012 62.100 0.023 0.000 1.023 116 T CB 2.014 70.891 68.868 0.014 0.000 1.123 116 T HN -0.250 nan 8.240 nan 0.000 0.512 117 P HA -0.062 nan 4.420 nan 0.000 0.216 117 P C 1.569 178.887 177.300 0.028 0.000 1.153 117 P CA 1.691 64.808 63.100 0.028 0.000 0.858 117 P CB -0.205 31.508 31.700 0.022 0.000 0.789 118 A N -0.265 122.569 122.820 0.023 0.000 1.929 118 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 118 A C 2.342 179.943 177.584 0.028 0.000 1.176 118 A CA 2.034 54.084 52.037 0.021 0.000 0.628 118 A CB -1.515 17.493 19.000 0.013 0.000 0.816 118 A HN 0.325 nan 8.150 nan 0.000 0.444 119 S N 0.116 115.832 115.700 0.027 0.000 2.368 119 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 119 S C 2.007 176.653 174.600 0.077 0.000 1.029 119 S CA 1.078 59.297 58.200 0.031 0.000 0.988 119 S CB -0.474 62.726 63.200 -0.000 0.000 0.838 119 S HN 0.607 nan 8.310 nan 0.000 0.462 120 R N 1.582 122.129 120.500 0.079 0.000 2.081 120 R HA 0.089 4.429 4.340 -0.000 0.000 0.235 120 R C 2.785 179.151 176.300 0.110 0.000 1.131 120 R CA 1.263 57.438 56.100 0.125 0.000 0.960 120 R CB -0.818 29.537 30.300 0.090 0.000 0.856 120 R HN 0.571 nan 8.270 nan 0.000 0.436 121 A N 1.665 124.521 122.820 0.061 0.000 1.902 121 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 121 A C 2.111 179.711 177.584 0.027 0.000 1.181 121 A CA 1.566 53.622 52.037 0.032 0.000 0.623 121 A CB -0.346 18.666 19.000 0.020 0.000 0.818 121 A HN 0.246 nan 8.150 nan 0.000 0.443 122 K N -1.568 118.860 120.400 0.046 0.000 2.025 122 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 122 K C 1.844 178.480 176.600 0.061 0.000 1.049 122 K CA 1.603 57.914 56.287 0.041 0.000 0.933 122 K CB -0.376 32.149 32.500 0.042 0.000 0.714 122 K HN 0.339 nan 8.250 nan 0.000 0.438 123 F N 1.624 121.549 119.950 -0.040 0.000 2.095 123 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 123 F C 1.995 177.777 175.800 -0.030 0.000 1.104 123 F CA 1.484 59.453 58.000 -0.052 0.000 1.232 123 F CB -0.844 38.113 39.000 -0.072 0.000 0.987 123 F HN 0.133 nan 8.300 nan 0.000 0.475 124 A N 0.185 122.859 122.820 -0.242 0.000 1.873 124 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 124 A C 2.146 179.575 177.584 -0.258 0.000 1.193 124 A CA 2.146 53.997 52.037 -0.310 0.000 0.629 124 A CB -1.150 17.788 19.000 -0.102 0.000 0.826 124 A HN 0.605 nan 8.150 nan 0.000 0.447 125 Q N 0.032 119.747 119.800 -0.142 0.000 2.135 125 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 125 Q C 2.421 178.355 176.000 -0.111 0.000 0.981 125 Q CA 2.022 57.766 55.803 -0.099 0.000 0.856 125 Q CB -0.314 28.393 28.738 -0.052 0.000 0.902 125 Q HN 0.889 nan 8.270 nan 0.000 0.425 126 S N -0.622 114.993 115.700 -0.142 0.000 2.399 126 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 126 S C 2.087 176.607 174.600 -0.133 0.000 1.022 126 S CA 1.060 59.194 58.200 -0.109 0.000 0.983 126 S CB -0.641 62.512 63.200 -0.078 0.000 0.803 126 S HN 0.438 nan 8.310 nan 0.000 0.480 127 C N 1.117 120.263 119.300 -0.256 0.000 2.453 127 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 127 C C 2.813 177.815 174.990 0.020 0.000 1.262 127 C CA 0.690 59.636 59.018 -0.119 0.000 1.718 127 C CB -1.347 26.210 27.740 -0.306 0.000 2.031 127 C HN 0.547 nan 8.230 nan 0.000 0.480 128 V N 1.357 121.233 119.914 -0.064 0.000 2.407 128 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 128 V C 2.752 178.828 176.094 -0.031 0.000 1.055 128 V CA 1.890 64.156 62.300 -0.056 0.000 1.049 128 V CB -0.845 30.924 31.823 -0.090 0.000 0.662 128 V HN 0.492 nan 8.190 nan 0.000 0.455 129 R N 0.216 120.700 120.500 -0.026 0.000 2.073 129 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 129 R C 2.266 178.593 176.300 0.045 0.000 1.134 129 R CA 1.779 57.878 56.100 -0.002 0.000 0.952 129 R CB -0.313 29.985 30.300 -0.003 0.000 0.850 129 R HN 0.354 nan 8.270 nan 0.000 0.433 130 I N 1.298 121.896 120.570 0.046 0.000 2.226 130 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 130 I C 2.618 178.819 176.117 0.139 0.000 1.100 130 I CA 1.214 62.562 61.300 0.080 0.000 1.374 130 I CB -0.977 36.903 38.000 -0.201 0.000 1.057 130 I HN 0.343 nan 8.210 nan 0.000 0.413 131 M N 0.336 120.013 119.600 0.129 0.000 2.080 131 M HA -0.258 4.222 4.480 -0.000 0.000 0.260 131 M C 2.186 178.596 176.300 0.184 0.000 1.068 131 M CA 1.869 57.354 55.300 0.307 0.000 1.109 131 M CB -0.106 32.661 32.600 0.278 0.000 1.342 131 M HN 0.017 nan 8.290 nan 0.000 0.405 132 K N 0.057 120.489 120.400 0.053 0.000 2.062 132 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 132 K C 1.652 178.249 176.600 -0.005 0.000 1.051 132 K CA 1.495 57.784 56.287 0.003 0.000 0.941 132 K CB -0.812 31.665 32.500 -0.037 0.000 0.719 132 K HN 0.417 nan 8.250 nan 0.000 0.440 133 D N -0.198 120.205 120.400 0.005 0.000 2.144 133 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 133 D C 1.365 177.506 176.300 -0.266 0.000 0.984 133 D CA 1.270 55.203 54.000 -0.112 0.000 0.834 133 D CB 0.068 40.819 40.800 -0.081 0.000 0.955 133 D HN 0.187 nan 8.370 nan 0.000 0.465 134 Y N -1.113 119.136 120.300 -0.085 0.000 2.478 134 Y HA 0.317 4.867 4.550 -0.000 0.000 0.261 134 Y C 1.760 177.433 175.900 -0.378 0.000 1.127 134 Y CA 0.528 58.492 58.100 -0.227 0.000 1.288 134 Y CB 0.801 39.125 38.460 -0.227 0.000 1.084 134 Y HN 0.083 nan 8.280 nan 0.000 0.530 135 G N -0.414 108.310 108.800 -0.127 0.000 2.140 135 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.211 135 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.211 135 G C -0.179 174.681 174.900 -0.067 0.000 1.013 135 G CA -0.563 44.475 45.100 -0.103 0.000 0.705 135 G HN 0.100 nan 8.290 nan 0.000 0.508 136 F N 0.392 120.440 119.950 0.164 0.000 2.378 136 F HA 0.467 4.994 4.527 -0.000 0.000 0.319 136 F C 1.360 177.305 175.800 0.242 0.000 1.155 136 F CA -0.389 57.745 58.000 0.224 0.000 1.157 136 F CB 0.678 39.890 39.000 0.353 0.000 1.252 136 F HN -0.008 nan 8.300 nan 0.000 0.550 137 D N 0.052 120.749 120.400 0.496 0.000 2.433 137 D HA 0.296 4.936 4.640 -0.000 0.000 0.211 137 D C 0.590 177.135 176.300 0.409 0.000 1.114 137 D CA 0.429 54.687 54.000 0.430 0.000 0.837 137 D CB 0.872 41.830 40.800 0.264 0.000 0.984 137 D HN 0.621 nan 8.370 nan 0.000 0.505 138 G N -0.321 108.665 108.800 0.310 0.000 2.322 138 G HA2 0.365 4.325 3.960 -0.000 0.000 0.295 138 G HA3 0.365 4.325 3.960 -0.000 0.000 0.295 138 G C -1.842 173.016 174.900 -0.071 0.000 1.369 138 G CA -0.566 44.629 45.100 0.158 0.000 0.821 138 G HN -0.075 nan 8.290 nan 0.000 0.536 139 V N 0.418 120.207 119.914 -0.207 0.000 2.540 139 V HA 0.630 4.750 4.120 -0.000 0.000 0.302 139 V C -1.074 174.830 176.094 -0.316 0.000 1.035 139 V CA -0.553 61.420 62.300 -0.545 0.000 0.873 139 V CB 1.817 33.377 31.823 -0.438 0.000 0.992 139 V HN 0.863 nan 8.190 nan 0.000 0.428 140 D N 3.918 124.108 120.400 -0.349 0.000 2.408 140 D HA 0.485 5.125 4.640 -0.000 0.000 0.243 140 D C -0.783 175.528 176.300 0.018 0.000 1.075 140 D CA -0.402 53.551 54.000 -0.078 0.000 0.832 140 D CB 1.126 41.926 40.800 -0.001 0.000 1.162 140 D HN 0.267 nan 8.370 nan 0.000 0.515 141 I N 3.545 124.184 120.570 0.114 0.000 2.304 141 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 141 I C -0.044 176.247 176.117 0.290 0.000 1.018 141 I CA -0.424 61.018 61.300 0.235 0.000 1.260 141 I CB 1.155 39.329 38.000 0.290 0.000 1.390 141 I HN 0.477 nan 8.210 nan 0.000 0.475 142 D N 7.286 127.850 120.400 0.272 0.000 2.634 142 D HA 0.071 4.711 4.640 -0.000 0.000 0.318 142 D C -0.939 175.387 176.300 0.044 0.000 1.226 142 D CA -0.323 53.773 54.000 0.160 0.000 0.899 142 D CB 0.287 41.175 40.800 0.147 0.000 1.025 142 D HN 0.345 nan 8.370 nan 0.000 0.501 143 W N 2.652 123.879 121.300 -0.123 0.000 2.335 143 W HA 0.400 5.060 4.660 -0.000 0.000 0.307 143 W C -0.876 175.341 176.519 -0.503 0.000 1.117 143 W CA -0.883 56.254 57.345 -0.347 0.000 1.228 143 W CB 0.606 29.958 29.460 -0.180 0.000 1.240 143 W HN 0.180 nan 8.180 nan 0.000 0.468 144 Q N 6.663 126.229 119.800 -0.391 0.000 2.571 144 Q HA 0.323 4.663 4.340 -0.000 0.000 0.243 144 Q C -1.622 173.889 176.000 -0.816 0.000 1.055 144 Q CA -0.279 54.775 55.803 -1.250 0.000 0.815 144 Q CB 1.281 29.269 28.738 -1.250 0.000 1.151 144 Q HN 0.394 nan 8.270 nan 0.000 0.519 145 Y N 0.447 120.547 120.300 -0.335 0.000 2.581 145 Y HA 0.380 4.930 4.550 -0.000 0.000 0.337 145 Y C -2.405 172.907 175.900 -0.981 0.000 1.108 145 Y CA -2.643 55.069 58.100 -0.648 0.000 1.033 145 Y CB 1.430 39.717 38.460 -0.288 0.000 1.318 145 Y HN 0.353 nan 8.280 nan 0.000 0.459 146 P HA -0.005 nan 4.420 nan 0.000 0.268 146 P C -0.718 176.287 177.300 -0.492 0.000 1.205 146 P CA -0.020 62.205 63.100 -1.458 0.000 0.771 146 P CB 1.093 31.638 31.700 -1.924 0.000 0.858 147 Q N 1.190 120.859 119.800 -0.219 0.000 2.317 147 Q HA 0.233 4.573 4.340 -0.000 0.000 0.229 147 Q C 1.686 177.639 176.000 -0.079 0.000 0.984 147 Q CA -0.197 55.559 55.803 -0.078 0.000 0.911 147 Q CB 1.102 29.843 28.738 0.005 0.000 1.217 147 Q HN 0.529 nan 8.270 nan 0.000 0.501 148 A N 1.542 124.332 122.820 -0.051 0.000 1.940 148 A HA -0.280 4.040 4.320 -0.000 0.000 0.221 148 A C 1.854 179.426 177.584 -0.021 0.000 1.190 148 A CA 2.556 54.570 52.037 -0.039 0.000 0.647 148 A CB -0.745 18.226 19.000 -0.048 0.000 0.821 148 A HN 0.778 nan 8.150 nan 0.000 0.457 149 A N -0.832 121.983 122.820 -0.010 0.000 2.066 149 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 149 A C 1.739 179.337 177.584 0.024 0.000 1.157 149 A CA 1.479 53.521 52.037 0.009 0.000 0.670 149 A CB -0.321 18.689 19.000 0.017 0.000 0.804 149 A HN 0.635 nan 8.150 nan 0.000 0.453 150 E N -0.630 119.576 120.200 0.010 0.000 2.479 150 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 150 E C 1.520 178.132 176.600 0.021 0.000 1.049 150 E CA 0.190 56.612 56.400 0.036 0.000 0.870 150 E CB 0.201 29.924 29.700 0.039 0.000 0.944 150 E HN 0.366 nan 8.360 nan 0.000 0.492 151 V N 1.600 121.511 119.914 -0.005 0.000 2.307 151 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 151 V C 1.567 177.744 176.094 0.137 0.000 1.045 151 V CA 1.884 64.213 62.300 0.047 0.000 1.024 151 V CB -0.295 31.554 31.823 0.043 0.000 0.651 151 V HN 0.252 nan 8.190 nan 0.000 0.449 152 D N 0.712 121.167 120.400 0.093 0.000 2.149 152 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 152 D C 2.176 178.540 176.300 0.107 0.000 0.990 152 D CA 1.679 55.731 54.000 0.087 0.000 0.839 152 D CB -0.516 40.319 40.800 0.058 0.000 0.948 152 D HN 0.487 nan 8.370 nan 0.000 0.460 153 G N -0.093 108.786 108.800 0.131 0.000 2.394 153 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 153 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 153 G C 1.481 176.507 174.900 0.209 0.000 1.165 153 G CA 0.194 45.381 45.100 0.145 0.000 0.784 153 G HN 0.244 nan 8.290 nan 0.000 0.535 154 F N 1.483 121.485 119.950 0.088 0.000 2.095 154 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 154 F C 2.416 178.258 175.800 0.070 0.000 1.104 154 F CA 1.154 59.222 58.000 0.113 0.000 1.232 154 F CB -0.204 38.807 39.000 0.018 0.000 0.987 154 F HN 0.095 nan 8.300 nan 0.000 0.475 155 I N 0.260 120.888 120.570 0.097 0.000 2.163 155 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 155 I C 2.667 178.750 176.117 -0.056 0.000 1.085 155 I CA 1.357 62.633 61.300 -0.040 0.000 1.347 155 I CB -0.888 37.138 38.000 0.043 0.000 1.044 155 I HN 0.257 nan 8.210 nan 0.000 0.408 156 A N 0.472 123.299 122.820 0.010 0.000 1.972 156 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 156 A C 2.470 180.058 177.584 0.007 0.000 1.169 156 A CA 1.700 53.745 52.037 0.013 0.000 0.635 156 A CB -0.667 18.356 19.000 0.039 0.000 0.810 156 A HN 0.454 nan 8.150 nan 0.000 0.446 157 A N -0.509 122.319 122.820 0.014 0.000 2.014 157 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 157 A C 2.083 179.658 177.584 -0.016 0.000 1.163 157 A CA 1.195 53.266 52.037 0.055 0.000 0.652 157 A CB -0.411 18.679 19.000 0.150 0.000 0.808 157 A HN 0.464 nan 8.150 nan 0.000 0.449 158 L N -1.112 120.029 121.223 -0.136 0.000 2.131 158 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 158 L C 2.765 179.582 176.870 -0.089 0.000 1.087 158 L CA 1.141 55.883 54.840 -0.162 0.000 0.767 158 L CB -0.495 41.389 42.059 -0.292 0.000 0.917 158 L HN 0.433 nan 8.230 nan 0.000 0.441 159 Q N -0.394 119.365 119.800 -0.068 0.000 2.167 159 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 159 Q C 2.018 178.002 176.000 -0.027 0.000 0.970 159 Q CA 1.254 57.034 55.803 -0.039 0.000 0.855 159 Q CB 0.006 28.729 28.738 -0.025 0.000 0.911 159 Q HN 0.282 nan 8.270 nan 0.000 0.438 160 E N 1.141 121.329 120.200 -0.020 0.000 2.072 160 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 160 E C 1.636 178.218 176.600 -0.030 0.000 0.985 160 E CA 1.008 57.400 56.400 -0.013 0.000 0.801 160 E CB -0.087 29.616 29.700 0.006 0.000 0.750 160 E HN 0.334 nan 8.360 nan 0.000 0.452 161 I N 0.205 120.748 120.570 -0.044 0.000 2.315 161 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 161 I C 2.443 178.533 176.117 -0.045 0.000 1.117 161 I CA 0.927 62.187 61.300 -0.066 0.000 1.404 161 I CB -0.272 37.676 38.000 -0.088 0.000 1.071 161 I HN 0.076 nan 8.210 nan 0.000 0.419 162 R N 1.395 121.873 120.500 -0.037 0.000 2.080 162 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 162 R C 2.169 178.464 176.300 -0.007 0.000 1.137 162 R CA 2.539 58.627 56.100 -0.021 0.000 0.943 162 R CB -1.309 28.976 30.300 -0.026 0.000 0.846 162 R HN 0.192 nan 8.270 nan 0.000 0.431 163 T N 1.827 116.374 114.554 -0.011 0.000 2.607 163 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 163 T C 1.804 176.504 174.700 0.000 0.000 1.049 163 T CA 1.927 64.025 62.100 -0.003 0.000 1.162 163 T CB -0.342 68.523 68.868 -0.006 0.000 0.863 163 T HN 0.174 nan 8.240 nan 0.000 0.424 164 L N 0.296 121.512 121.223 -0.012 0.000 2.012 164 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 164 L C 2.628 179.497 176.870 -0.001 0.000 1.073 164 L CA 1.311 56.142 54.840 -0.015 0.000 0.748 164 L CB -0.773 41.262 42.059 -0.040 0.000 0.891 164 L HN 0.263 nan 8.230 nan 0.000 0.431 165 L N -0.228 120.997 121.223 0.003 0.000 2.017 165 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 165 L C 2.396 179.338 176.870 0.120 0.000 1.073 165 L CA 1.226 56.097 54.840 0.051 0.000 0.745 165 L CB -0.588 41.506 42.059 0.058 0.000 0.894 165 L HN 0.346 nan 8.230 nan 0.000 0.432 166 N N -0.257 118.487 118.700 0.072 0.000 2.166 166 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 166 N C 1.857 177.408 175.510 0.070 0.000 1.019 166 N CA 1.090 54.180 53.050 0.067 0.000 0.856 166 N CB -0.164 38.342 38.487 0.032 0.000 0.993 166 N HN 0.392 nan 8.380 nan 0.000 0.426 167 Q N -0.163 119.670 119.800 0.055 0.000 2.119 167 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 167 Q C 1.832 177.878 176.000 0.077 0.000 0.972 167 Q CA 1.085 56.917 55.803 0.048 0.000 0.847 167 Q CB -0.049 28.705 28.738 0.027 0.000 0.903 167 Q HN 0.270 nan 8.270 nan 0.000 0.433 168 Q N -0.075 119.789 119.800 0.105 0.000 2.167 168 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 168 Q C 1.784 177.978 176.000 0.323 0.000 0.970 168 Q CA 1.624 57.524 55.803 0.162 0.000 0.855 168 Q CB -0.136 28.634 28.738 0.052 0.000 0.911 168 Q HN 0.239 nan 8.270 nan 0.000 0.438 169 T N 0.310 115.054 114.554 0.316 0.000 2.788 169 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 169 T C 1.647 176.377 174.700 0.050 0.000 1.044 169 T CA 1.264 63.443 62.100 0.132 0.000 1.139 169 T CB -0.161 68.730 68.868 0.037 0.000 0.867 169 T HN 0.245 nan 8.240 nan 0.000 0.454 170 I N 0.952 121.557 120.570 0.060 0.000 2.133 170 I HA -0.165 4.005 4.170 -0.000 0.000 0.238 170 I C 2.706 178.846 176.117 0.039 0.000 1.074 170 I CA 1.161 62.481 61.300 0.033 0.000 1.342 170 I CB -0.651 37.366 38.000 0.029 0.000 1.053 170 I HN 0.198 nan 8.210 nan 0.000 0.404 171 T N 0.122 114.711 114.554 0.058 0.000 2.778 171 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 171 T C 1.024 175.761 174.700 0.061 0.000 1.050 171 T CA 1.487 63.619 62.100 0.054 0.000 1.137 171 T CB -0.272 68.630 68.868 0.058 0.000 0.860 171 T HN 0.289 nan 8.240 nan 0.000 0.468 172 D N -0.133 120.322 120.400 0.090 0.000 2.363 172 D HA 0.287 4.927 4.640 -0.000 0.000 0.214 172 D C 1.394 177.706 176.300 0.020 0.000 1.093 172 D CA 0.290 54.338 54.000 0.081 0.000 0.837 172 D CB -0.213 40.693 40.800 0.177 0.000 0.948 172 D HN 0.388 nan 8.370 nan 0.000 0.507 173 G N 1.815 110.616 108.800 0.002 0.000 2.283 173 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.280 173 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.280 173 G C 0.789 175.655 174.900 -0.058 0.000 1.029 173 G CA -0.166 44.921 45.100 -0.022 0.000 0.840 173 G HN 0.212 nan 8.290 nan 0.000 0.505 174 R N -0.585 119.851 120.500 -0.106 0.000 2.721 174 R HA 0.145 4.485 4.340 -0.000 0.000 0.296 174 R C 1.779 177.985 176.300 -0.157 0.000 1.174 174 R CA 0.183 56.171 56.100 -0.187 0.000 1.129 174 R CB 0.196 30.243 30.300 -0.421 0.000 1.316 174 R HN 0.560 nan 8.270 nan 0.000 0.571 175 Q N -0.075 119.670 119.800 -0.092 0.000 2.291 175 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 175 Q C 1.863 177.825 176.000 -0.064 0.000 0.976 175 Q CA 1.543 57.306 55.803 -0.068 0.000 0.875 175 Q CB -0.117 28.597 28.738 -0.041 0.000 0.927 175 Q HN 0.293 nan 8.270 nan 0.000 0.450 176 A N -0.443 122.336 122.820 -0.067 0.000 2.119 176 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 176 A C 0.726 178.272 177.584 -0.063 0.000 1.153 176 A CA 0.559 52.564 52.037 -0.054 0.000 0.692 176 A CB 0.281 19.253 19.000 -0.047 0.000 0.799 176 A HN 0.294 nan 8.150 nan 0.000 0.458 177 L N -0.309 120.856 121.223 -0.097 0.000 2.367 177 L HA 0.349 4.688 4.340 -0.000 0.000 0.263 177 L C -3.014 173.751 176.870 -0.176 0.000 1.473 177 L CA -1.431 53.345 54.840 -0.106 0.000 0.807 177 L CB 1.380 43.379 42.059 -0.099 0.000 0.968 177 L HN -0.147 nan 8.230 nan 0.000 0.520 178 P HA 0.039 nan 4.420 nan 0.000 0.266 178 P C -0.902 176.322 177.300 -0.126 0.000 1.193 178 P CA 0.320 63.321 63.100 -0.165 0.000 0.770 178 P CB 0.165 31.826 31.700 -0.066 0.000 0.836 179 Y N 1.031 121.347 120.300 0.027 0.000 2.578 179 Y HA 0.093 4.643 4.550 -0.000 0.000 0.339 179 Y C 1.391 177.309 175.900 0.030 0.000 1.231 179 Y CA 0.850 58.974 58.100 0.041 0.000 1.461 179 Y CB 0.096 38.582 38.460 0.044 0.000 1.323 179 Y HN 0.337 nan 8.280 nan 0.000 0.590 180 Q N 1.674 121.601 119.800 0.211 0.000 2.399 180 Q HA 0.657 4.997 4.340 -0.000 0.000 0.276 180 Q C -1.730 174.312 176.000 0.070 0.000 1.098 180 Q CA -1.377 54.498 55.803 0.119 0.000 0.827 180 Q CB 2.936 31.765 28.738 0.152 0.000 1.386 180 Q HN 0.507 nan 8.270 nan 0.000 0.443 181 L N 0.960 122.197 121.223 0.025 0.000 2.409 181 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 181 L C -1.058 175.812 176.870 0.001 0.000 0.980 181 L CA 0.105 54.939 54.840 -0.010 0.000 0.826 181 L CB 2.096 44.137 42.059 -0.030 0.000 1.268 181 L HN 0.843 nan 8.230 nan 0.000 0.407 182 T N 2.822 117.385 114.554 0.015 0.000 2.841 182 T HA 0.825 5.175 4.350 -0.000 0.000 0.296 182 T C -0.438 174.312 174.700 0.083 0.000 1.166 182 T CA -0.570 61.568 62.100 0.063 0.000 1.007 182 T CB 1.519 70.449 68.868 0.103 0.000 1.253 182 T HN 0.843 nan 8.240 nan 0.000 0.511 183 I N -1.819 118.830 120.570 0.133 0.000 3.074 183 I HA 0.915 5.085 4.170 -0.000 0.000 0.310 183 I C -0.897 175.351 176.117 0.219 0.000 1.153 183 I CA -1.888 59.523 61.300 0.186 0.000 0.993 183 I CB 1.867 39.992 38.000 0.208 0.000 1.237 183 I HN 0.956 nan 8.210 nan 0.000 0.443 184 A N 2.197 125.162 122.820 0.242 0.000 2.276 184 A HA 0.835 5.155 4.320 -0.000 0.000 0.316 184 A C 0.032 177.743 177.584 0.212 0.000 1.229 184 A CA -0.151 52.020 52.037 0.223 0.000 0.851 184 A CB 0.596 19.703 19.000 0.179 0.000 1.165 184 A HN 1.109 nan 8.150 nan 0.000 0.513 185 G N 0.427 109.356 108.800 0.215 0.000 2.489 185 G HA2 0.650 4.610 3.960 -0.000 0.000 0.327 185 G HA3 0.650 4.610 3.960 -0.000 0.000 0.327 185 G C 0.149 175.237 174.900 0.313 0.000 1.189 185 G CA -0.079 45.209 45.100 0.313 0.000 0.962 185 G HN 1.379 nan 8.290 nan 0.000 0.486 186 A N -0.742 122.289 122.820 0.352 0.000 2.483 186 A HA 0.530 4.850 4.320 -0.000 0.000 0.238 186 A C 1.295 178.942 177.584 0.105 0.000 1.070 186 A CA 0.517 52.635 52.037 0.135 0.000 0.770 186 A CB 0.493 19.338 19.000 -0.258 0.000 1.008 186 A HN 1.487 nan 8.150 nan 0.000 0.497 187 G N 0.815 109.636 108.800 0.035 0.000 3.453 187 G HA2 0.476 4.436 3.960 -0.000 0.000 0.263 187 G HA3 0.476 4.436 3.960 -0.000 0.000 0.263 187 G C 0.386 175.290 174.900 0.006 0.000 1.060 187 G CA 0.588 45.684 45.100 -0.007 0.000 0.793 187 G HN 1.256 nan 8.290 nan 0.000 0.532 188 G N -1.435 107.371 108.800 0.011 0.000 2.620 188 G HA2 0.548 4.508 3.960 -0.000 0.000 0.301 188 G HA3 0.548 4.508 3.960 -0.000 0.000 0.301 188 G C 0.783 175.666 174.900 -0.028 0.000 1.347 188 G CA 0.327 45.429 45.100 0.002 0.000 0.971 188 G HN 0.315 nan 8.290 nan 0.000 0.488 189 A N 1.585 124.411 122.820 0.010 0.000 1.927 189 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 189 A C 2.008 179.489 177.584 -0.171 0.000 1.185 189 A CA 2.180 54.143 52.037 -0.122 0.000 0.639 189 A CB -0.754 18.239 19.000 -0.011 0.000 0.820 189 A HN 0.897 nan 8.150 nan 0.000 0.451 190 F N -0.794 118.996 119.950 -0.266 0.000 2.032 190 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 190 F C 1.942 177.366 175.800 -0.626 0.000 1.125 190 F CA 2.683 60.409 58.000 -0.457 0.000 1.202 190 F CB -0.362 38.301 39.000 -0.562 0.000 0.958 190 F HN 0.257 nan 8.300 nan 0.000 0.491 191 F N -1.318 118.609 119.950 -0.038 0.000 2.569 191 F HA 0.041 4.568 4.527 -0.000 0.000 0.295 191 F C 1.817 177.252 175.800 -0.609 0.000 1.115 191 F CA 0.251 58.069 58.000 -0.304 0.000 1.450 191 F CB -0.858 37.928 39.000 -0.356 0.000 1.107 191 F HN -0.038 nan 8.300 nan 0.000 0.563 192 L N 0.706 121.653 121.223 -0.460 0.000 2.127 192 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 192 L C 2.488 178.898 176.870 -0.767 0.000 1.089 192 L CA 2.045 56.452 54.840 -0.722 0.000 0.757 192 L CB -1.188 40.598 42.059 -0.456 0.000 0.899 192 L HN 0.186 nan 8.230 nan 0.000 0.434 193 S N -1.205 114.161 115.700 -0.558 0.000 2.469 193 S HA -0.207 4.263 4.470 -0.000 0.000 0.238 193 S C 2.034 176.411 174.600 -0.372 0.000 0.998 193 S CA 0.863 58.779 58.200 -0.474 0.000 0.957 193 S CB -0.629 62.299 63.200 -0.453 0.000 0.764 193 S HN 0.580 nan 8.310 nan 0.000 0.514 194 R N 0.303 120.576 120.500 -0.379 0.000 2.075 194 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 194 R C 1.802 178.025 176.300 -0.128 0.000 1.126 194 R CA 1.891 57.865 56.100 -0.210 0.000 0.963 194 R CB -0.338 29.901 30.300 -0.102 0.000 0.858 194 R HN 0.885 nan 8.270 nan 0.000 0.435 195 Y N -4.590 115.634 120.300 -0.127 0.000 2.527 195 Y HA 0.224 4.773 4.550 -0.000 0.000 0.247 195 Y C 1.415 177.291 175.900 -0.041 0.000 1.138 195 Y CA -1.214 56.831 58.100 -0.091 0.000 1.228 195 Y CB -0.688 37.706 38.460 -0.109 0.000 1.252 195 Y HN -0.097 nan 8.280 nan 0.000 0.531 196 Y N 2.816 122.866 120.300 -0.417 0.000 2.102 196 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 196 Y C 2.686 178.484 175.900 -0.170 0.000 1.178 196 Y CA 2.553 60.457 58.100 -0.327 0.000 1.146 196 Y CB -0.550 37.646 38.460 -0.439 0.000 0.968 196 Y HN 0.348 nan 8.280 nan 0.000 0.504 197 S N -0.639 114.982 115.700 -0.132 0.000 2.419 197 S HA -0.195 4.275 4.470 -0.000 0.000 0.235 197 S C 1.378 175.891 174.600 -0.145 0.000 1.019 197 S CA 1.549 59.628 58.200 -0.201 0.000 0.982 197 S CB -0.418 62.698 63.200 -0.140 0.000 0.789 197 S HN 0.549 nan 8.310 nan 0.000 0.490 198 K N 0.530 120.896 120.400 -0.056 0.000 2.576 198 K HA 0.426 4.746 4.320 -0.000 0.000 0.209 198 K C 0.945 177.559 176.600 0.024 0.000 1.049 198 K CA -0.219 56.066 56.287 -0.003 0.000 1.140 198 K CB 0.050 32.575 32.500 0.041 0.000 0.871 198 K HN 0.259 nan 8.250 nan 0.000 0.479 199 L N 0.702 121.905 121.223 -0.033 0.000 2.043 199 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 199 L C 2.423 179.309 176.870 0.025 0.000 1.075 199 L CA 1.584 56.431 54.840 0.013 0.000 0.752 199 L CB -0.390 41.593 42.059 -0.127 0.000 0.891 199 L HN 0.362 nan 8.230 nan 0.000 0.432 200 A N -0.687 122.131 122.820 -0.005 0.000 1.902 200 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 200 A C 2.125 179.722 177.584 0.023 0.000 1.181 200 A CA 1.662 53.708 52.037 0.016 0.000 0.623 200 A CB -0.426 18.582 19.000 0.014 0.000 0.818 200 A HN 0.529 nan 8.150 nan 0.000 0.443 201 Q N -0.788 119.025 119.800 0.022 0.000 2.172 201 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 201 Q C 1.925 177.935 176.000 0.017 0.000 0.964 201 Q CA 1.156 56.971 55.803 0.020 0.000 0.855 201 Q CB -0.204 28.548 28.738 0.024 0.000 0.918 201 Q HN 0.731 nan 8.270 nan 0.000 0.444 202 I N -0.246 120.347 120.570 0.038 0.000 2.353 202 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 202 I C 1.933 178.062 176.117 0.020 0.000 1.119 202 I CA 0.706 62.026 61.300 0.033 0.000 1.417 202 I CB 0.091 38.145 38.000 0.089 0.000 1.078 202 I HN 0.029 nan 8.210 nan 0.000 0.421 203 V N 0.651 120.592 119.914 0.045 0.000 2.649 203 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 203 V C 2.641 178.743 176.094 0.013 0.000 1.054 203 V CA 1.349 63.677 62.300 0.047 0.000 1.073 203 V CB -0.622 31.248 31.823 0.079 0.000 0.699 203 V HN 0.431 nan 8.190 nan 0.000 0.463 204 A N 1.636 124.460 122.820 0.006 0.000 1.896 204 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 204 A C 0.605 178.176 177.584 -0.022 0.000 1.206 204 A CA 2.485 54.518 52.037 -0.006 0.000 0.647 204 A CB -1.998 17.000 19.000 -0.004 0.000 0.828 204 A HN 0.588 nan 8.150 nan 0.000 0.455 205 P HA 0.162 nan 4.420 nan 0.000 0.249 205 P C -0.107 177.164 177.300 -0.047 0.000 1.241 205 P CA 0.396 63.472 63.100 -0.041 0.000 0.781 205 P CB -0.163 31.505 31.700 -0.053 0.000 1.088 206 L N -0.504 120.692 121.223 -0.045 0.000 2.352 206 L HA 0.377 4.717 4.340 -0.000 0.000 0.269 206 L C 1.311 178.115 176.870 -0.110 0.000 1.034 206 L CA -0.743 54.066 54.840 -0.051 0.000 0.806 206 L CB 0.998 43.050 42.059 -0.011 0.000 1.244 206 L HN -0.299 nan 8.230 nan 0.000 0.447 207 D N -0.331 119.965 120.400 -0.172 0.000 2.277 207 D HA 0.059 4.699 4.640 -0.000 0.000 0.209 207 D C -0.642 175.213 176.300 -0.741 0.000 0.970 207 D CA 1.431 55.168 54.000 -0.439 0.000 0.874 207 D CB 0.601 41.143 40.800 -0.430 0.000 0.982 207 D HN 0.280 nan 8.370 nan 0.000 0.504 208 Y N -0.710 119.588 120.300 -0.003 0.000 2.624 208 Y HA 0.400 4.950 4.550 -0.000 0.000 0.334 208 Y C -0.836 175.075 175.900 0.017 0.000 1.155 208 Y CA -1.016 57.079 58.100 -0.008 0.000 1.046 208 Y CB 1.853 40.279 38.460 -0.057 0.000 1.316 208 Y HN -0.302 nan 8.280 nan 0.000 0.457 209 I N 2.416 123.116 120.570 0.217 0.000 2.410 209 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 209 I C -1.282 174.914 176.117 0.132 0.000 1.009 209 I CA -0.465 60.933 61.300 0.163 0.000 1.111 209 I CB 0.693 38.791 38.000 0.163 0.000 1.262 209 I HN 0.700 nan 8.210 nan 0.000 0.443 210 N N 8.295 127.082 118.700 0.145 0.000 2.439 210 N HA 0.308 5.048 4.740 -0.000 0.000 0.243 210 N C -0.927 174.642 175.510 0.099 0.000 1.088 210 N CA -0.518 52.612 53.050 0.134 0.000 0.940 210 N CB 0.800 39.431 38.487 0.241 0.000 1.180 210 N HN 0.474 nan 8.380 nan 0.000 0.505 211 L N 2.772 124.006 121.223 0.018 0.000 2.361 211 L HA 0.162 4.502 4.340 -0.000 0.000 0.278 211 L C 0.709 177.519 176.870 -0.101 0.000 1.113 211 L CA 0.035 54.846 54.840 -0.048 0.000 0.849 211 L CB 0.356 42.331 42.059 -0.140 0.000 1.155 211 L HN 0.517 nan 8.230 nan 0.000 0.452 212 M N 3.617 123.102 119.600 -0.190 0.000 3.436 212 M HA 0.057 4.537 4.480 -0.000 0.000 0.240 212 M C 0.362 176.239 176.300 -0.705 0.000 1.469 212 M CA -0.108 54.811 55.300 -0.636 0.000 1.622 212 M CB -0.541 31.777 32.600 -0.469 0.000 1.098 212 M HN 0.548 nan 8.290 nan 0.000 0.568 213 T N -0.082 114.194 114.554 -0.463 0.000 4.098 213 T HA 0.331 4.681 4.350 -0.000 0.000 0.291 213 T C -0.549 174.116 174.700 -0.058 0.000 1.440 213 T CA -0.314 61.666 62.100 -0.199 0.000 1.164 213 T CB -1.030 67.802 68.868 -0.061 0.000 1.313 213 T HN 0.514 nan 8.240 nan 0.000 0.951 214 Y N -2.729 117.640 120.300 0.116 0.000 2.744 214 Y HA 0.580 5.130 4.550 -0.000 0.000 0.330 214 Y C -0.165 175.838 175.900 0.171 0.000 1.263 214 Y CA -1.897 56.286 58.100 0.138 0.000 1.065 214 Y CB 0.019 38.579 38.460 0.168 0.000 1.306 214 Y HN 0.118 nan 8.280 nan 0.000 0.459 215 D N -0.060 120.620 120.400 0.466 0.000 2.983 215 D HA -0.174 4.466 4.640 -0.000 0.000 0.225 215 D C 0.678 177.223 176.300 0.409 0.000 1.174 215 D CA 1.171 55.449 54.000 0.463 0.000 0.831 215 D CB -1.008 40.059 40.800 0.447 0.000 1.104 215 D HN 0.730 nan 8.370 nan 0.000 0.421 216 L N -1.420 119.961 121.223 0.263 0.000 2.465 216 L HA 0.151 4.491 4.340 -0.000 0.000 0.224 216 L C 1.272 178.270 176.870 0.214 0.000 1.145 216 L CA 1.051 55.986 54.840 0.157 0.000 0.834 216 L CB -0.140 41.954 42.059 0.058 0.000 0.944 216 L HN 0.207 nan 8.230 nan 0.000 0.451 217 A N -0.806 122.174 122.820 0.266 0.000 2.515 217 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 217 A C -0.284 177.270 177.584 -0.051 0.000 1.094 217 A CA 0.089 52.227 52.037 0.169 0.000 0.718 217 A CB 1.773 20.879 19.000 0.176 0.000 1.307 217 A HN 0.098 nan 8.150 nan 0.000 0.408 218 G N -0.600 107.877 108.800 -0.538 0.000 2.349 218 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 218 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 218 G C -2.732 171.549 174.900 -1.031 0.000 1.380 218 G CA 0.034 44.333 45.100 -1.335 0.000 0.811 218 G HN 0.416 nan 8.290 nan 0.000 0.519 219 P HA -0.052 nan 4.420 nan 0.000 0.228 219 P C 1.218 178.538 177.300 0.033 0.000 1.151 219 P CA 1.394 64.343 63.100 -0.252 0.000 0.770 219 P CB -0.087 31.542 31.700 -0.119 0.000 0.786 220 W N -0.151 121.260 121.300 0.184 0.000 2.800 220 W HA 0.230 4.890 4.660 -0.000 0.000 0.249 220 W C 0.263 176.884 176.519 0.170 0.000 1.294 220 W CA -0.087 57.345 57.345 0.146 0.000 1.402 220 W CB -1.023 28.482 29.460 0.074 0.000 1.126 220 W HN -0.229 nan 8.180 nan 0.000 0.652 221 E N 1.512 121.766 120.200 0.090 0.000 2.175 221 E HA 0.132 4.482 4.350 -0.000 0.000 0.278 221 E C 0.776 177.516 176.600 0.234 0.000 0.969 221 E CA -0.406 56.111 56.400 0.195 0.000 0.796 221 E CB 1.666 31.470 29.700 0.173 0.000 1.104 221 E HN 0.142 nan 8.360 nan 0.000 0.395 222 K N 0.451 120.926 120.400 0.124 0.000 2.147 222 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 222 K C 1.031 177.655 176.600 0.039 0.000 1.049 222 K CA 0.795 57.098 56.287 0.027 0.000 0.936 222 K CB 0.083 32.563 32.500 -0.034 0.000 0.722 222 K HN 0.349 nan 8.250 nan 0.000 0.446 223 V N 0.420 120.348 119.914 0.022 0.000 2.398 223 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 223 V C 0.062 176.070 176.094 -0.145 0.000 1.026 223 V CA -1.084 61.189 62.300 -0.045 0.000 0.868 223 V CB 1.095 32.862 31.823 -0.093 0.000 0.982 223 V HN 0.219 nan 8.190 nan 0.000 0.443 224 T N 2.546 116.886 114.554 -0.357 0.000 2.937 224 T HA 0.357 4.707 4.350 -0.000 0.000 0.316 224 T C -0.094 174.229 174.700 -0.630 0.000 1.079 224 T CA 0.147 61.701 62.100 -0.911 0.000 1.131 224 T CB 0.611 68.666 68.868 -1.354 0.000 1.000 224 T HN 1.132 nan 8.240 nan 0.000 0.549 225 N N -0.687 117.682 118.700 -0.552 0.000 2.927 225 N HA 0.209 4.949 4.740 -0.000 0.000 0.248 225 N C -1.531 173.940 175.510 -0.066 0.000 1.443 225 N CA -0.734 52.206 53.050 -0.182 0.000 0.870 225 N CB 1.188 39.707 38.487 0.054 0.000 1.444 225 N HN 0.721 nan 8.380 nan 0.000 0.519 226 H N 0.978 120.127 119.070 0.131 0.000 2.732 226 H HA 0.058 4.614 4.556 -0.000 0.000 0.351 226 H C 0.422 175.828 175.328 0.130 0.000 1.090 226 H CA 0.435 56.562 56.048 0.132 0.000 1.431 226 H CB 1.172 30.959 29.762 0.043 0.000 1.447 226 H HN 0.581 nan 8.280 nan 0.000 0.582 227 Q N 1.515 121.457 119.800 0.236 0.000 2.424 227 Q HA 0.226 4.566 4.340 -0.000 0.000 0.204 227 Q C 0.274 176.385 176.000 0.186 0.000 0.933 227 Q CA 0.681 56.612 55.803 0.214 0.000 0.929 227 Q CB 0.791 29.659 28.738 0.217 0.000 1.037 227 Q HN 0.503 nan 8.270 nan 0.000 0.511 228 A N 0.575 123.487 122.820 0.154 0.000 3.339 228 A HA 0.671 4.991 4.320 -0.000 0.000 0.219 228 A C -0.221 177.378 177.584 0.025 0.000 0.974 228 A CA -0.281 51.820 52.037 0.107 0.000 1.050 228 A CB 0.187 19.278 19.000 0.152 0.000 1.271 228 A HN 0.359 nan 8.150 nan 0.000 0.565 229 A N 0.157 122.987 122.820 0.015 0.000 2.520 229 A HA 0.427 4.747 4.320 -0.000 0.000 0.245 229 A C 1.154 178.650 177.584 -0.147 0.000 1.072 229 A CA 0.176 52.157 52.037 -0.094 0.000 0.761 229 A CB 0.098 19.070 19.000 -0.047 0.000 1.004 229 A HN 1.452 nan 8.150 nan 0.000 0.499 230 L N 2.790 123.859 121.223 -0.256 0.000 2.044 230 L HA 0.276 4.616 4.340 -0.000 0.000 0.205 230 L C -0.061 176.454 176.870 -0.591 0.000 1.075 230 L CA 1.736 56.280 54.840 -0.493 0.000 0.747 230 L CB -0.409 41.281 42.059 -0.615 0.000 0.903 230 L HN 0.586 nan 8.230 nan 0.000 0.435 231 F N -1.222 118.673 119.950 -0.091 0.000 2.611 231 F HA 0.660 5.187 4.527 -0.000 0.000 0.324 231 F C 0.845 176.621 175.800 -0.040 0.000 1.061 231 F CA -0.946 57.033 58.000 -0.034 0.000 0.954 231 F CB 0.718 39.709 39.000 -0.015 0.000 1.301 231 F HN -0.137 nan 8.300 nan 0.000 0.482 232 G N -0.127 108.806 108.800 0.222 0.000 2.448 232 G HA2 0.420 4.380 3.960 -0.000 0.000 0.285 232 G HA3 0.420 4.380 3.960 -0.000 0.000 0.285 232 G C -1.663 173.268 174.900 0.053 0.000 1.176 232 G CA -0.203 44.960 45.100 0.105 0.000 0.852 232 G HN 0.512 nan 8.290 nan 0.000 0.530 233 D N 0.658 121.064 120.400 0.010 0.000 2.425 233 D HA 0.451 5.091 4.640 -0.000 0.000 0.240 233 D C 1.179 177.432 176.300 -0.078 0.000 1.080 233 D CA -0.130 53.865 54.000 -0.007 0.000 0.836 233 D CB 1.536 42.373 40.800 0.061 0.000 1.125 233 D HN 0.321 nan 8.370 nan 0.000 0.525 234 A N 3.645 126.432 122.820 -0.055 0.000 2.042 234 A HA -0.122 4.198 4.320 -0.000 0.000 0.222 234 A C 1.939 179.440 177.584 -0.138 0.000 1.167 234 A CA 2.078 54.068 52.037 -0.078 0.000 0.649 234 A CB -0.462 18.512 19.000 -0.044 0.000 0.809 234 A HN 0.642 nan 8.150 nan 0.000 0.457 235 A N -0.727 122.004 122.820 -0.148 0.000 2.167 235 A HA 0.428 4.748 4.320 -0.000 0.000 0.214 235 A C 1.462 178.670 177.584 -0.627 0.000 1.151 235 A CA 0.942 52.855 52.037 -0.206 0.000 0.735 235 A CB -0.764 18.241 19.000 0.008 0.000 0.802 235 A HN 0.729 nan 8.150 nan 0.000 0.467 236 G N 0.077 108.335 108.800 -0.903 0.000 2.557 236 G HA2 0.480 4.440 3.960 -0.000 0.000 0.292 236 G HA3 0.480 4.440 3.960 -0.000 0.000 0.292 236 G C -2.260 172.274 174.900 -0.611 0.000 1.237 236 G CA -1.195 43.087 45.100 -1.363 0.000 0.978 236 G HN 0.212 nan 8.290 nan 0.000 0.498 237 P HA 0.255 nan 4.420 nan 0.000 0.272 237 P C -0.215 176.899 177.300 -0.311 0.000 1.240 237 P CA 0.025 62.906 63.100 -0.365 0.000 0.791 237 P CB 1.145 32.623 31.700 -0.371 0.000 0.978 238 T N -2.278 112.040 114.554 -0.394 0.000 2.907 238 T HA 0.755 5.105 4.350 -0.000 0.000 0.290 238 T C -0.796 173.607 174.700 -0.495 0.000 1.066 238 T CA -0.554 61.387 62.100 -0.266 0.000 1.012 238 T CB 1.037 69.824 68.868 -0.134 0.000 1.184 238 T HN 0.217 nan 8.240 nan 0.000 0.522 239 F N -0.474 119.355 119.950 -0.202 0.000 2.613 239 F HA 0.506 5.033 4.527 -0.000 0.000 0.314 239 F C -0.594 175.311 175.800 0.175 0.000 1.075 239 F CA -1.487 56.476 58.000 -0.063 0.000 0.945 239 F CB 1.468 40.358 39.000 -0.184 0.000 1.310 239 F HN 0.744 nan 8.300 nan 0.000 0.467 240 Y N 2.490 122.987 120.300 0.328 0.000 2.544 240 Y HA 0.098 4.648 4.550 -0.000 0.000 0.330 240 Y C 0.562 176.678 175.900 0.361 0.000 1.136 240 Y CA -0.198 58.058 58.100 0.261 0.000 1.417 240 Y CB 0.240 38.785 38.460 0.142 0.000 1.229 240 Y HN 0.465 nan 8.280 nan 0.000 0.532 241 N N 5.505 124.212 118.700 0.012 0.000 2.549 241 N HA 0.074 4.813 4.740 -0.000 0.000 0.267 241 N C 0.649 176.081 175.510 -0.131 0.000 1.182 241 N CA 0.629 53.636 53.050 -0.071 0.000 1.019 241 N CB 0.537 38.849 38.487 -0.291 0.000 1.380 241 N HN 0.900 nan 8.380 nan 0.000 0.505 242 A N 4.109 126.967 122.820 0.063 0.000 2.032 242 A HA -0.136 4.184 4.320 -0.000 0.000 0.221 242 A C 2.114 179.483 177.584 -0.359 0.000 1.165 242 A CA 0.915 52.924 52.037 -0.047 0.000 0.645 242 A CB -0.306 18.565 19.000 -0.216 0.000 0.807 242 A HN 0.723 nan 8.150 nan 0.000 0.453 243 L N -0.324 120.513 121.223 -0.643 0.000 2.265 243 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 243 L C 2.668 178.781 176.870 -1.261 0.000 1.117 243 L CA 1.522 55.692 54.840 -1.116 0.000 0.782 243 L CB -0.604 40.478 42.059 -1.628 0.000 0.914 243 L HN 0.626 nan 8.230 nan 0.000 0.441 244 R N -0.126 119.853 120.500 -0.868 0.000 2.285 244 R HA -0.106 4.234 4.340 -0.000 0.000 0.213 244 R C 1.058 177.200 176.300 -0.263 0.000 1.068 244 R CA 0.880 56.710 56.100 -0.450 0.000 1.004 244 R CB -0.158 30.049 30.300 -0.155 0.000 0.873 244 R HN 0.310 nan 8.270 nan 0.000 0.467 245 E N 0.837 120.875 120.200 -0.271 0.000 2.481 245 E HA 0.210 4.560 4.350 -0.000 0.000 0.198 245 E C 0.242 176.714 176.600 -0.213 0.000 1.027 245 E CA 0.270 56.568 56.400 -0.170 0.000 0.900 245 E CB 0.921 30.553 29.700 -0.113 0.000 0.993 245 E HN 0.424 nan 8.360 nan 0.000 0.482 246 A N 1.564 124.199 122.820 -0.308 0.000 2.425 246 A HA 0.039 4.359 4.320 -0.000 0.000 0.242 246 A C 0.498 177.951 177.584 -0.219 0.000 1.077 246 A CA -0.150 51.730 52.037 -0.262 0.000 0.781 246 A CB -0.226 18.616 19.000 -0.264 0.000 1.020 246 A HN 0.191 nan 8.150 nan 0.000 0.494 247 N N 1.726 120.325 118.700 -0.168 0.000 2.971 247 N HA 0.201 4.941 4.740 -0.000 0.000 0.294 247 N C 0.423 175.828 175.510 -0.175 0.000 1.210 247 N CA -0.256 52.714 53.050 -0.133 0.000 1.157 247 N CB -0.309 38.126 38.487 -0.086 0.000 1.450 247 N HN 0.639 nan 8.380 nan 0.000 0.527 248 L N 0.964 122.015 121.223 -0.286 0.000 2.416 248 L HA 0.255 4.595 4.340 -0.000 0.000 0.216 248 L C 1.674 178.401 176.870 -0.238 0.000 1.098 248 L CA 0.402 54.955 54.840 -0.479 0.000 0.840 248 L CB 0.101 41.446 42.059 -1.189 0.000 0.981 248 L HN 0.593 nan 8.230 nan 0.000 0.462 249 G N -1.260 107.498 108.800 -0.070 0.000 2.148 249 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 249 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 249 G C -0.129 174.957 174.900 0.309 0.000 0.981 249 G CA -0.242 44.926 45.100 0.114 0.000 0.670 249 G HN 0.103 nan 8.290 nan 0.000 0.528 250 W N 1.310 122.653 121.300 0.072 0.000 2.141 250 W HA 0.701 5.361 4.660 -0.000 0.000 0.354 250 W C 1.124 177.698 176.519 0.092 0.000 1.297 250 W CA -0.760 56.629 57.345 0.073 0.000 1.380 250 W CB 0.232 29.735 29.460 0.071 0.000 1.168 250 W HN 0.559 nan 8.180 nan 0.000 0.639 251 S N -0.263 115.642 115.700 0.342 0.000 2.672 251 S HA 0.123 4.593 4.470 -0.000 0.000 0.276 251 S C 0.552 175.337 174.600 0.308 0.000 1.207 251 S CA -0.597 57.774 58.200 0.286 0.000 1.002 251 S CB 1.001 64.344 63.200 0.238 0.000 0.998 251 S HN 0.581 nan 8.310 nan 0.000 0.542 252 W N 1.522 122.908 121.300 0.144 0.000 2.304 252 W HA -0.168 4.492 4.660 -0.000 0.000 0.315 252 W C 2.083 178.668 176.519 0.110 0.000 1.233 252 W CA 2.104 59.523 57.345 0.123 0.000 1.261 252 W CB -0.149 29.368 29.460 0.095 0.000 1.150 252 W HN 0.805 nan 8.180 nan 0.000 0.494 253 E N 0.222 120.701 120.200 0.466 0.000 2.110 253 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 253 E C 1.875 178.497 176.600 0.035 0.000 0.988 253 E CA 1.872 58.441 56.400 0.281 0.000 0.804 253 E CB -0.511 29.349 29.700 0.266 0.000 0.745 253 E HN 0.598 nan 8.360 nan 0.000 0.458 254 E N 0.364 120.596 120.200 0.052 0.000 2.072 254 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 254 E C 2.379 178.998 176.600 0.032 0.000 0.982 254 E CA 0.459 56.839 56.400 -0.034 0.000 0.803 254 E CB -0.086 29.576 29.700 -0.064 0.000 0.755 254 E HN 0.181 nan 8.360 nan 0.000 0.453 255 L N 0.817 122.126 121.223 0.144 0.000 2.046 255 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 255 L C 2.556 179.363 176.870 -0.105 0.000 1.077 255 L CA 1.218 56.161 54.840 0.172 0.000 0.747 255 L CB -0.556 41.569 42.059 0.110 0.000 0.896 255 L HN 0.165 nan 8.230 nan 0.000 0.432 256 T N -0.450 113.883 114.554 -0.369 0.000 2.777 256 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 256 T C 1.873 176.401 174.700 -0.287 0.000 1.040 256 T CA 1.606 63.424 62.100 -0.471 0.000 1.141 256 T CB -0.188 68.167 68.868 -0.855 0.000 0.868 256 T HN 0.410 nan 8.240 nan 0.000 0.444 257 R N 1.586 121.945 120.500 -0.235 0.000 2.115 257 R HA 0.261 4.601 4.340 -0.000 0.000 0.226 257 R C 2.360 178.498 176.300 -0.270 0.000 1.100 257 R CA 1.313 57.291 56.100 -0.204 0.000 0.980 257 R CB -0.484 29.723 30.300 -0.155 0.000 0.875 257 R HN 0.283 nan 8.270 nan 0.000 0.445 258 A N 0.510 123.100 122.820 -0.383 0.000 1.930 258 A HA 0.154 4.474 4.320 -0.000 0.000 0.215 258 A C 0.235 177.367 177.584 -0.754 0.000 1.176 258 A CA 0.387 52.046 52.037 -0.631 0.000 0.632 258 A CB -0.020 18.451 19.000 -0.881 0.000 0.819 258 A HN 0.336 nan 8.150 nan 0.000 0.445 259 F N 1.109 121.028 119.950 -0.051 0.000 2.449 259 F HA 0.326 4.853 4.527 -0.000 0.000 0.329 259 F C -2.503 173.162 175.800 -0.225 0.000 1.245 259 F CA -3.606 54.318 58.000 -0.127 0.000 1.193 259 F CB 0.487 39.391 39.000 -0.160 0.000 1.425 259 F HN 0.003 nan 8.300 nan 0.000 0.544 260 P HA 0.082 nan 4.420 nan 0.000 0.266 260 P C -0.201 177.060 177.300 -0.066 0.000 1.195 260 P CA 0.269 63.280 63.100 -0.148 0.000 0.768 260 P CB 1.879 33.451 31.700 -0.213 0.000 0.838 261 S N 2.353 118.018 115.700 -0.060 0.000 2.572 261 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 261 S C -2.543 172.040 174.600 -0.028 0.000 1.150 261 S CA -1.152 57.024 58.200 -0.040 0.000 0.944 261 S CB 0.779 63.820 63.200 -0.266 0.000 1.071 261 S HN 0.351 nan 8.310 nan 0.000 0.479 262 P HA 0.547 nan 4.420 nan 0.000 0.275 262 P C -0.977 176.478 177.300 0.259 0.000 1.266 262 P CA -0.316 62.865 63.100 0.134 0.000 0.793 262 P CB 0.273 32.011 31.700 0.063 0.000 1.074 263 F N -2.698 117.307 119.950 0.092 0.000 2.664 263 F HA 0.587 5.114 4.527 -0.000 0.000 0.317 263 F C -0.904 175.018 175.800 0.203 0.000 1.108 263 F CA -1.329 56.753 58.000 0.136 0.000 0.957 263 F CB 0.612 39.741 39.000 0.215 0.000 1.365 263 F HN 0.104 nan 8.300 nan 0.000 0.475 264 S N 2.190 117.932 115.700 0.071 0.000 2.465 264 S HA 0.394 4.864 4.470 -0.000 0.000 0.279 264 S C -0.534 173.975 174.600 -0.151 0.000 1.201 264 S CA -0.417 57.761 58.200 -0.037 0.000 1.053 264 S CB 0.788 64.039 63.200 0.085 0.000 0.953 264 S HN 0.635 nan 8.310 nan 0.000 0.488 265 L N 5.849 126.909 121.223 -0.273 0.000 2.454 265 L HA 0.296 4.635 4.340 -0.000 0.000 0.284 265 L C 0.551 177.389 176.870 -0.053 0.000 1.139 265 L CA 0.579 55.242 54.840 -0.294 0.000 0.911 265 L CB -0.884 40.839 42.059 -0.560 0.000 1.262 265 L HN 0.827 nan 8.230 nan 0.000 0.453 266 T N -0.133 114.445 114.554 0.040 0.000 2.887 266 T HA 0.429 4.779 4.350 -0.000 0.000 0.292 266 T C 1.121 175.812 174.700 -0.014 0.000 1.087 266 T CA -0.545 61.567 62.100 0.020 0.000 1.009 266 T CB 1.089 69.989 68.868 0.053 0.000 1.203 266 T HN -0.032 nan 8.240 nan 0.000 0.518 267 V N 0.813 120.672 119.914 -0.092 0.000 2.343 267 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 267 V C 2.540 178.528 176.094 -0.177 0.000 1.051 267 V CA 2.505 64.724 62.300 -0.136 0.000 1.036 267 V CB -1.031 30.670 31.823 -0.203 0.000 0.654 267 V HN 1.097 nan 8.190 nan 0.000 0.451 268 D N 0.415 120.659 120.400 -0.260 0.000 2.149 268 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 268 D C 2.085 178.434 176.300 0.082 0.000 0.990 268 D CA 1.583 55.500 54.000 -0.139 0.000 0.839 268 D CB -0.145 40.655 40.800 -0.000 0.000 0.948 268 D HN 0.377 nan 8.370 nan 0.000 0.460 269 A N 0.512 123.381 122.820 0.081 0.000 1.877 269 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 269 A C 2.431 179.902 177.584 -0.189 0.000 1.186 269 A CA 2.333 54.329 52.037 -0.069 0.000 0.620 269 A CB -1.210 17.919 19.000 0.215 0.000 0.822 269 A HN 0.346 nan 8.150 nan 0.000 0.443 270 A N -0.623 122.180 122.820 -0.028 0.000 1.902 270 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 270 A C 2.240 179.906 177.584 0.137 0.000 1.181 270 A CA 1.845 53.908 52.037 0.044 0.000 0.623 270 A CB -0.969 18.052 19.000 0.036 0.000 0.818 270 A HN 0.408 nan 8.150 nan 0.000 0.443 271 V N 0.066 120.035 119.914 0.091 0.000 2.343 271 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 271 V C 2.743 178.966 176.094 0.215 0.000 1.051 271 V CA 2.019 64.414 62.300 0.160 0.000 1.036 271 V CB -0.750 31.229 31.823 0.260 0.000 0.654 271 V HN 0.541 nan 8.190 nan 0.000 0.451 272 Q N -0.186 119.717 119.800 0.173 0.000 2.079 272 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 272 Q C 2.270 178.353 176.000 0.138 0.000 0.974 272 Q CA 1.597 57.505 55.803 0.174 0.000 0.840 272 Q CB -0.438 28.435 28.738 0.225 0.000 0.898 272 Q HN 0.703 nan 8.270 nan 0.000 0.430 273 Q N -0.529 119.275 119.800 0.008 0.000 2.181 273 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 273 Q C 1.772 177.933 176.000 0.270 0.000 0.980 273 Q CA 1.368 57.220 55.803 0.082 0.000 0.862 273 Q CB -0.147 28.513 28.738 -0.130 0.000 0.905 273 Q HN 0.538 nan 8.270 nan 0.000 0.429 274 H N -0.389 118.795 119.070 0.190 0.000 2.403 274 H HA 0.014 4.570 4.556 -0.000 0.000 0.298 274 H C 1.713 177.135 175.328 0.157 0.000 1.059 274 H CA 0.929 57.096 56.048 0.199 0.000 1.363 274 H CB 0.100 29.956 29.762 0.157 0.000 1.410 274 H HN 0.111 nan 8.280 nan 0.000 0.528 275 L N -0.262 121.118 121.223 0.261 0.000 2.275 275 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 275 L C 1.835 178.793 176.870 0.148 0.000 1.119 275 L CA 0.737 55.685 54.840 0.179 0.000 0.790 275 L CB -0.228 41.924 42.059 0.156 0.000 0.919 275 L HN 0.364 nan 8.230 nan 0.000 0.443 276 M N -1.229 118.479 119.600 0.181 0.000 2.549 276 M HA -0.067 4.413 4.480 -0.000 0.000 0.260 276 M C 0.297 176.698 176.300 0.168 0.000 1.076 276 M CA 0.832 56.232 55.300 0.167 0.000 1.090 276 M CB 0.021 32.763 32.600 0.236 0.000 1.418 276 M HN 0.134 nan 8.290 nan 0.000 0.486 277 M N 0.829 120.513 119.600 0.140 0.000 2.188 277 M HA 0.195 4.675 4.480 -0.000 0.000 0.357 277 M C -0.031 176.309 176.300 0.067 0.000 1.204 277 M CA -0.176 55.177 55.300 0.090 0.000 1.095 277 M CB 0.801 33.362 32.600 -0.065 0.000 1.604 277 M HN 0.036 nan 8.290 nan 0.000 0.464 278 E N 0.789 121.030 120.200 0.067 0.000 2.392 278 E HA 0.330 4.680 4.350 -0.000 0.000 0.264 278 E C 0.988 177.614 176.600 0.043 0.000 1.024 278 E CA 1.068 57.497 56.400 0.048 0.000 0.903 278 E CB 0.464 30.189 29.700 0.043 0.000 0.963 278 E HN 0.894 nan 8.360 nan 0.000 0.432 279 G N 2.504 111.329 108.800 0.040 0.000 2.175 279 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 279 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 279 G C -0.140 174.786 174.900 0.043 0.000 0.982 279 G CA 0.092 45.214 45.100 0.036 0.000 0.641 279 G HN 0.499 nan 8.290 nan 0.000 0.527 280 V N 3.251 123.199 119.914 0.056 0.000 2.266 280 V HA 0.438 4.558 4.120 -0.000 0.000 0.271 280 V C -1.590 174.554 176.094 0.084 0.000 1.032 280 V CA -1.320 61.030 62.300 0.082 0.000 0.806 280 V CB 1.521 33.411 31.823 0.112 0.000 1.052 280 V HN 0.290 nan 8.190 nan 0.000 0.449 281 P HA 0.159 nan 4.420 nan 0.000 0.276 281 P C 1.091 178.437 177.300 0.077 0.000 1.235 281 P CA -0.016 63.120 63.100 0.060 0.000 0.772 281 P CB 1.636 33.360 31.700 0.039 0.000 0.871 282 S N 3.476 119.220 115.700 0.073 0.000 2.392 282 S HA -0.269 4.201 4.470 -0.000 0.000 0.232 282 S C 1.957 176.608 174.600 0.084 0.000 1.041 282 S CA 1.287 59.535 58.200 0.080 0.000 1.026 282 S CB -1.421 61.815 63.200 0.060 0.000 0.845 282 S HN 0.537 nan 8.310 nan 0.000 0.465 283 A N 1.812 124.676 122.820 0.074 0.000 2.076 283 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 283 A C 2.188 179.864 177.584 0.153 0.000 1.160 283 A CA 1.519 53.611 52.037 0.092 0.000 0.653 283 A CB -0.499 18.538 19.000 0.062 0.000 0.801 283 A HN 0.639 nan 8.150 nan 0.000 0.455 284 K N -0.858 119.619 120.400 0.127 0.000 2.426 284 K HA 0.246 4.566 4.320 -0.000 0.000 0.193 284 K C -0.292 176.445 176.600 0.229 0.000 1.028 284 K CA 0.013 56.398 56.287 0.164 0.000 1.047 284 K CB 0.131 32.670 32.500 0.066 0.000 0.821 284 K HN 0.468 nan 8.250 nan 0.000 0.513 285 I N 2.023 122.690 120.570 0.161 0.000 2.371 285 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 285 I C -0.381 175.783 176.117 0.079 0.000 1.028 285 I CA -0.561 60.805 61.300 0.110 0.000 1.345 285 I CB 1.307 39.357 38.000 0.085 0.000 1.407 285 I HN -0.284 nan 8.210 nan 0.000 0.501 286 V N 7.416 127.354 119.914 0.040 0.000 2.448 286 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 286 V C 0.066 176.175 176.094 0.025 0.000 1.025 286 V CA -0.687 61.605 62.300 -0.013 0.000 0.859 286 V CB 1.809 33.567 31.823 -0.108 0.000 0.988 286 V HN 0.701 nan 8.190 nan 0.000 0.431 287 M N 4.361 123.997 119.600 0.060 0.000 2.105 287 M HA 0.530 5.010 4.480 -0.000 0.000 0.350 287 M C 0.492 176.863 176.300 0.120 0.000 1.308 287 M CA -0.151 55.197 55.300 0.081 0.000 1.108 287 M CB 0.496 33.166 32.600 0.116 0.000 1.622 287 M HN 0.818 nan 8.290 nan 0.000 0.468 288 G N 4.069 112.953 108.800 0.140 0.000 2.444 288 G HA2 0.540 4.500 3.960 -0.000 0.000 0.268 288 G HA3 0.540 4.500 3.960 -0.000 0.000 0.268 288 G C -0.798 174.342 174.900 0.400 0.000 1.203 288 G CA -0.525 44.759 45.100 0.308 0.000 0.835 288 G HN 0.819 nan 8.290 nan 0.000 0.543 289 V N -0.753 119.436 119.914 0.459 0.000 3.007 289 V HA 0.883 5.003 4.120 -0.000 0.000 0.311 289 V C -2.723 173.589 176.094 0.364 0.000 1.120 289 V CA -2.598 59.947 62.300 0.408 0.000 0.980 289 V CB 2.609 34.539 31.823 0.179 0.000 1.033 289 V HN 0.674 nan 8.190 nan 0.000 0.429 290 P HA 0.477 nan 4.420 nan 0.000 0.293 290 P C -0.821 176.702 177.300 0.371 0.000 1.291 290 P CA -0.368 62.738 63.100 0.010 0.000 0.867 290 P CB 1.742 33.148 31.700 -0.490 0.000 1.074 291 F N 1.641 121.683 119.950 0.153 0.000 2.639 291 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 291 F C 0.373 176.293 175.800 0.199 0.000 1.109 291 F CA -0.442 57.635 58.000 0.128 0.000 1.335 291 F CB -0.612 38.418 39.000 0.051 0.000 1.014 291 F HN 0.238 nan 8.300 nan 0.000 0.537 292 Y N -2.487 117.982 120.300 0.282 0.000 2.609 292 Y HA 0.861 5.411 4.550 -0.000 0.000 0.342 292 Y C -0.138 175.882 175.900 0.200 0.000 1.058 292 Y CA -2.420 55.798 58.100 0.197 0.000 1.055 292 Y CB 0.773 39.328 38.460 0.157 0.000 1.292 292 Y HN -0.121 nan 8.280 nan 0.000 0.476 293 G N 0.963 109.837 108.800 0.123 0.000 2.489 293 G HA2 0.700 4.660 3.960 -0.000 0.000 0.327 293 G HA3 0.700 4.660 3.960 -0.000 0.000 0.327 293 G C -1.497 173.485 174.900 0.136 0.000 1.189 293 G CA -1.530 43.621 45.100 0.084 0.000 0.962 293 G HN 0.665 nan 8.290 nan 0.000 0.486 294 R N -0.329 120.237 120.500 0.110 0.000 2.494 294 R HA 0.618 4.958 4.340 -0.000 0.000 0.305 294 R C -0.496 175.824 176.300 0.034 0.000 0.959 294 R CA -0.509 55.620 56.100 0.049 0.000 0.864 294 R CB 2.099 32.423 30.300 0.041 0.000 1.159 294 R HN 0.620 nan 8.270 nan 0.000 0.446 295 A N 3.545 126.328 122.820 -0.062 0.000 2.317 295 A HA 0.739 5.059 4.320 -0.000 0.000 0.327 295 A C -1.141 176.483 177.584 0.066 0.000 1.178 295 A CA -0.440 51.675 52.037 0.130 0.000 0.817 295 A CB 0.558 19.653 19.000 0.159 0.000 1.189 295 A HN 0.548 nan 8.150 nan 0.000 0.489 296 F N 1.003 121.109 119.950 0.259 0.000 2.546 296 F HA 0.589 5.116 4.527 -0.000 0.000 0.320 296 F C 0.544 176.347 175.800 0.006 0.000 1.076 296 F CA -0.579 57.471 58.000 0.083 0.000 0.928 296 F CB 2.326 41.295 39.000 -0.051 0.000 1.189 296 F HN 0.707 nan 8.300 nan 0.000 0.465 297 K N -0.282 120.052 120.400 -0.110 0.000 2.306 297 K HA 0.794 5.114 4.320 -0.000 0.000 0.236 297 K C 0.464 177.018 176.600 -0.075 0.000 1.013 297 K CA -0.599 55.515 56.287 -0.287 0.000 0.857 297 K CB 1.842 33.734 32.500 -1.014 0.000 1.214 297 K HN 0.884 nan 8.250 nan 0.000 0.449 298 G N -0.005 108.754 108.800 -0.068 0.000 2.198 298 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 298 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 298 G C 0.085 175.015 174.900 0.050 0.000 1.025 298 G CA 0.330 45.422 45.100 -0.013 0.000 0.769 298 G HN 0.927 nan 8.290 nan 0.000 0.507 299 V N -2.839 117.136 119.914 0.102 0.000 3.295 299 V HA 0.892 5.012 4.120 -0.000 0.000 0.308 299 V C 0.573 176.724 176.094 0.096 0.000 1.068 299 V CA -0.033 62.322 62.300 0.092 0.000 1.062 299 V CB 1.802 33.694 31.823 0.114 0.000 1.162 299 V HN 0.545 nan 8.190 nan 0.000 0.456 300 S N 0.832 116.551 115.700 0.030 0.000 2.501 300 S HA 0.732 5.202 4.470 -0.000 0.000 0.301 300 S C 0.369 174.955 174.600 -0.023 0.000 1.096 300 S CA 0.035 58.251 58.200 0.027 0.000 1.063 300 S CB 1.331 64.521 63.200 -0.016 0.000 1.042 300 S HN 1.401 nan 8.310 nan 0.000 0.494 301 G N 0.482 109.306 108.800 0.040 0.000 2.683 301 G HA2 0.486 4.446 3.960 -0.000 0.000 0.260 301 G HA3 0.486 4.446 3.960 -0.000 0.000 0.260 301 G C 0.950 175.777 174.900 -0.122 0.000 1.238 301 G CA 0.220 45.276 45.100 -0.074 0.000 0.934 301 G HN 1.290 nan 8.290 nan 0.000 0.534 302 G N -0.662 108.052 108.800 -0.142 0.000 3.151 302 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.197 302 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.197 302 G C 0.701 175.533 174.900 -0.112 0.000 1.682 302 G CA 0.424 45.468 45.100 -0.093 0.000 1.205 302 G HN 0.855 nan 8.290 nan 0.000 0.510 303 N N 1.239 119.831 118.700 -0.180 0.000 2.467 303 N HA 0.433 5.173 4.740 -0.000 0.000 0.278 303 N C 1.205 176.578 175.510 -0.229 0.000 1.306 303 N CA 0.677 53.622 53.050 -0.174 0.000 0.905 303 N CB 0.038 38.406 38.487 -0.198 0.000 1.236 303 N HN 1.418 nan 8.380 nan 0.000 0.509 304 G N 0.183 108.798 108.800 -0.309 0.000 2.203 304 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.263 304 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.263 304 G C 0.885 175.548 174.900 -0.395 0.000 1.012 304 G CA 0.367 45.232 45.100 -0.392 0.000 0.749 304 G HN 0.770 nan 8.290 nan 0.000 0.512 305 G N -2.008 106.478 108.800 -0.524 0.000 2.213 305 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.236 305 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.236 305 G C 0.366 174.776 174.900 -0.817 0.000 0.991 305 G CA 0.790 45.722 45.100 -0.279 0.000 0.629 305 G HN 1.195 nan 8.290 nan 0.000 0.517 306 Q N -0.540 118.732 119.800 -0.881 0.000 2.352 306 Q HA 0.466 4.806 4.340 -0.000 0.000 0.260 306 Q C 0.485 175.900 176.000 -0.975 0.000 0.976 306 Q CA -0.369 54.616 55.803 -1.363 0.000 0.881 306 Q CB 0.291 28.114 28.738 -1.526 0.000 1.235 306 Q HN 0.622 nan 8.270 nan 0.000 0.419 307 Y N -1.407 118.525 120.300 -0.613 0.000 3.491 307 Y HA -0.275 4.275 4.550 -0.000 0.000 0.215 307 Y C 0.128 175.835 175.900 -0.321 0.000 1.219 307 Y CA 0.790 58.654 58.100 -0.392 0.000 1.485 307 Y CB -2.392 35.906 38.460 -0.270 0.000 1.450 307 Y HN 0.508 nan 8.280 nan 0.000 0.603 308 S N -0.303 115.232 115.700 -0.276 0.000 2.664 308 S HA 0.811 5.281 4.470 -0.000 0.000 0.304 308 S C 0.441 174.968 174.600 -0.122 0.000 1.099 308 S CA -0.107 57.983 58.200 -0.185 0.000 1.003 308 S CB 1.383 64.458 63.200 -0.207 0.000 1.092 308 S HN 0.478 nan 8.310 nan 0.000 0.525 309 S N 1.368 117.022 115.700 -0.076 0.000 2.600 309 S HA 0.561 5.031 4.470 -0.000 0.000 0.265 309 S C -0.314 174.286 174.600 -0.000 0.000 1.325 309 S CA -0.232 57.928 58.200 -0.067 0.000 1.002 309 S CB 0.034 63.181 63.200 -0.089 0.000 0.921 309 S HN 1.115 nan 8.310 nan 0.000 0.554 310 H N -2.632 116.412 119.070 -0.043 0.000 2.990 310 H HA 0.655 5.211 4.556 -0.000 0.000 0.336 310 H C -0.773 174.551 175.328 -0.007 0.000 1.306 310 H CA -0.505 55.537 56.048 -0.010 0.000 1.118 310 H CB 0.879 30.680 29.762 0.065 0.000 1.856 310 H HN 0.551 nan 8.280 nan 0.000 0.538 311 S N 0.196 115.939 115.700 0.071 0.000 2.592 311 S HA 0.268 4.738 4.470 -0.000 0.000 0.243 311 S C -0.632 174.011 174.600 0.072 0.000 1.160 311 S CA -0.492 57.704 58.200 -0.006 0.000 1.145 311 S CB -0.735 62.429 63.200 -0.059 0.000 0.909 311 S HN 0.656 nan 8.310 nan 0.000 0.487 312 T N 4.485 119.252 114.554 0.355 0.000 2.817 312 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 312 T C -2.650 172.196 174.700 0.245 0.000 0.964 312 T CA -1.074 61.172 62.100 0.243 0.000 1.085 312 T CB 0.812 69.783 68.868 0.172 0.000 0.921 312 T HN 0.224 nan 8.240 nan 0.000 0.502 313 P HA 0.235 nan 4.420 nan 0.000 0.268 313 P C 0.849 178.265 177.300 0.194 0.000 1.204 313 P CA -0.151 63.051 63.100 0.169 0.000 0.768 313 P CB 0.529 32.296 31.700 0.112 0.000 0.842 314 G N 1.627 110.528 108.800 0.168 0.000 2.887 314 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.211 314 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.211 314 G C 0.213 175.230 174.900 0.195 0.000 1.152 314 G CA 0.019 45.244 45.100 0.208 0.000 0.769 314 G HN 0.405 nan 8.290 nan 0.000 0.541 315 E N 0.830 121.111 120.200 0.135 0.000 2.481 315 E HA 0.283 4.633 4.350 -0.000 0.000 0.263 315 E C -0.661 176.028 176.600 0.148 0.000 0.992 315 E CA 0.403 56.871 56.400 0.113 0.000 0.938 315 E CB 0.915 30.643 29.700 0.046 0.000 0.933 315 E HN 0.267 nan 8.360 nan 0.000 0.453 316 D N 2.777 123.271 120.400 0.157 0.000 2.549 316 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 316 D C -2.225 174.184 176.300 0.181 0.000 1.153 316 D CA -1.628 52.484 54.000 0.187 0.000 0.861 316 D CB 0.684 41.620 40.800 0.227 0.000 1.207 316 D HN 0.192 nan 8.370 nan 0.000 0.543 317 P HA 0.136 nan 4.420 nan 0.000 0.275 317 P C -0.563 176.854 177.300 0.196 0.000 1.270 317 P CA -0.480 62.733 63.100 0.189 0.000 0.791 317 P CB 0.323 32.130 31.700 0.178 0.000 1.089 318 Y N 1.837 122.195 120.300 0.097 0.000 2.610 318 Y HA 0.153 4.703 4.550 -0.000 0.000 0.332 318 Y C -1.668 174.297 175.900 0.108 0.000 1.201 318 Y CA -1.222 56.941 58.100 0.105 0.000 1.465 318 Y CB 0.225 38.744 38.460 0.098 0.000 1.283 318 Y HN 0.200 nan 8.280 nan 0.000 0.563 319 P HA 0.243 nan 4.420 nan 0.000 0.201 319 P C -1.219 175.889 177.300 -0.320 0.000 1.874 319 P CA -0.087 62.860 63.100 -0.255 0.000 1.041 319 P CB 0.567 32.163 31.700 -0.174 0.000 1.827 320 S N 0.186 115.768 115.700 -0.198 0.000 2.688 320 S HA 0.344 4.814 4.470 -0.000 0.000 0.266 320 S C -0.063 174.593 174.600 0.094 0.000 1.061 320 S CA -0.175 57.986 58.200 -0.065 0.000 0.844 320 S CB 0.308 63.424 63.200 -0.139 0.000 1.103 320 S HN 0.144 nan 8.310 nan 0.000 0.471 321 T N -0.574 113.908 114.554 -0.120 0.000 3.182 321 T HA 0.317 4.667 4.350 -0.000 0.000 0.277 321 T C -0.298 173.867 174.700 -0.891 0.000 1.013 321 T CA -0.003 61.773 62.100 -0.540 0.000 0.900 321 T CB -0.180 68.540 68.868 -0.247 0.000 1.098 321 T HN 0.465 nan 8.240 nan 0.000 0.543 322 D N 1.846 122.024 120.400 -0.370 0.000 2.422 322 D HA 0.134 4.774 4.640 -0.000 0.000 0.227 322 D C -1.100 175.105 176.300 -0.158 0.000 1.190 322 D CA -0.721 53.193 54.000 -0.143 0.000 0.905 322 D CB -0.160 40.749 40.800 0.181 0.000 1.034 322 D HN 0.305 nan 8.370 nan 0.000 0.507 323 Y N 4.251 124.529 120.300 -0.038 0.000 2.676 323 Y HA 0.175 4.725 4.550 -0.000 0.000 0.338 323 Y C 0.760 176.513 175.900 -0.246 0.000 1.057 323 Y CA -1.241 56.673 58.100 -0.311 0.000 1.314 323 Y CB -0.006 38.304 38.460 -0.249 0.000 1.164 323 Y HN 0.491 nan 8.280 nan 0.000 0.509 324 W N 2.037 123.377 121.300 0.067 0.000 3.353 324 W HA 0.289 4.949 4.660 -0.000 0.000 0.304 324 W C -0.736 175.768 176.519 -0.026 0.000 1.273 324 W CA -0.326 57.029 57.345 0.017 0.000 1.773 324 W CB 0.105 29.582 29.460 0.029 0.000 1.095 324 W HN 0.315 nan 8.180 nan 0.000 0.676 325 L N 3.210 124.293 121.223 -0.234 0.000 2.363 325 L HA 0.189 4.529 4.340 -0.000 0.000 0.286 325 L C 0.192 177.014 176.870 -0.079 0.000 1.106 325 L CA -0.313 54.460 54.840 -0.112 0.000 0.859 325 L CB 1.032 42.898 42.059 -0.321 0.000 1.223 325 L HN -0.328 nan 8.230 nan 0.000 0.446 326 V N 4.941 124.844 119.914 -0.019 0.000 2.509 326 V HA 0.088 4.208 4.120 -0.000 0.000 0.297 326 V C 1.353 177.322 176.094 -0.209 0.000 1.014 326 V CA 1.137 63.375 62.300 -0.102 0.000 1.127 326 V CB 0.432 32.110 31.823 -0.242 0.000 0.925 326 V HN 1.111 nan 8.190 nan 0.000 0.480 327 G N 3.298 111.826 108.800 -0.454 0.000 2.148 327 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 327 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 327 G C 0.363 174.886 174.900 -0.627 0.000 0.981 327 G CA 0.026 44.470 45.100 -1.094 0.000 0.670 327 G HN 1.040 nan 8.290 nan 0.000 0.528 328 C N 1.110 120.191 119.300 -0.365 0.000 2.136 328 C HA 0.739 5.199 4.460 -0.000 0.000 0.381 328 C C 1.791 176.633 174.990 -0.248 0.000 1.039 328 C CA 0.964 59.803 59.018 -0.297 0.000 1.491 328 C CB -0.908 26.658 27.740 -0.290 0.000 1.663 328 C HN 0.836 nan 8.230 nan 0.000 0.470 329 E N 1.503 121.580 120.200 -0.205 0.000 2.085 329 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 329 E C 1.962 178.452 176.600 -0.182 0.000 0.994 329 E CA 1.778 58.081 56.400 -0.161 0.000 0.801 329 E CB -0.530 29.106 29.700 -0.107 0.000 0.743 329 E HN 0.929 nan 8.360 nan 0.000 0.453 330 E N -0.567 119.528 120.200 -0.174 0.000 2.160 330 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 330 E C 2.031 178.494 176.600 -0.228 0.000 0.991 330 E CA 1.256 57.557 56.400 -0.164 0.000 0.810 330 E CB -0.490 29.131 29.700 -0.132 0.000 0.742 330 E HN 0.637 nan 8.360 nan 0.000 0.466 331 C N -0.047 119.076 119.300 -0.295 0.000 2.432 331 C HA -0.041 4.419 4.460 -0.000 0.000 0.280 331 C C 2.529 177.151 174.990 -0.614 0.000 1.353 331 C CA 0.286 59.057 59.018 -0.412 0.000 1.766 331 C CB -0.654 26.822 27.740 -0.442 0.000 1.924 331 C HN 0.347 nan 8.230 nan 0.000 0.509 332 V N 2.218 121.795 119.914 -0.561 0.000 2.302 332 V HA -0.165 3.955 4.120 -0.000 0.000 0.243 332 V C 2.633 178.433 176.094 -0.490 0.000 1.036 332 V CA 2.173 64.043 62.300 -0.718 0.000 1.020 332 V CB -0.755 30.865 31.823 -0.339 0.000 0.657 332 V HN 0.598 nan 8.190 nan 0.000 0.453 333 R N 0.826 121.157 120.500 -0.281 0.000 2.115 333 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 333 R C 1.221 177.423 176.300 -0.163 0.000 1.111 333 R CA 1.840 57.836 56.100 -0.174 0.000 0.976 333 R CB -0.498 29.736 30.300 -0.109 0.000 0.870 333 R HN 0.391 nan 8.270 nan 0.000 0.445 334 D N 0.955 121.235 120.400 -0.200 0.000 2.339 334 D HA 0.052 4.692 4.640 -0.000 0.000 0.217 334 D C -0.321 175.880 176.300 -0.166 0.000 1.050 334 D CA 0.155 54.071 54.000 -0.140 0.000 0.856 334 D CB 0.273 41.010 40.800 -0.106 0.000 0.922 334 D HN 0.204 nan 8.370 nan 0.000 0.518 335 K N 1.213 121.425 120.400 -0.313 0.000 3.257 335 K HA -0.177 4.143 4.320 -0.000 0.000 0.270 335 K C -0.590 175.903 176.600 -0.179 0.000 0.984 335 K CA 0.529 56.644 56.287 -0.287 0.000 0.739 335 K CB -1.107 31.415 32.500 0.036 0.000 1.351 335 K HN 0.085 nan 8.250 nan 0.000 0.463 336 D N -0.679 119.474 120.400 -0.412 0.000 2.419 336 D HA 0.092 4.732 4.640 -0.000 0.000 0.219 336 D C -2.239 173.679 176.300 -0.638 0.000 1.349 336 D CA -1.490 52.199 54.000 -0.518 0.000 0.964 336 D CB 1.519 42.177 40.800 -0.236 0.000 1.463 336 D HN -0.114 nan 8.370 nan 0.000 0.573 337 P HA 0.077 nan 4.420 nan 0.000 0.241 337 P C 0.869 177.654 177.300 -0.859 0.000 1.191 337 P CA 0.087 62.562 63.100 -1.043 0.000 0.771 337 P CB 0.531 31.168 31.700 -1.772 0.000 0.929 338 R N -0.814 119.361 120.500 -0.541 0.000 2.275 338 R HA 0.157 4.497 4.340 -0.000 0.000 0.199 338 R C 0.677 176.878 176.300 -0.165 0.000 0.989 338 R CA 0.483 56.450 56.100 -0.223 0.000 1.016 338 R CB 0.066 30.321 30.300 -0.076 0.000 0.918 338 R HN 0.190 nan 8.270 nan 0.000 0.473 339 I N -0.115 120.354 120.570 -0.169 0.000 2.608 339 I HA 0.504 4.674 4.170 -0.000 0.000 0.295 339 I C -0.761 175.308 176.117 -0.081 0.000 1.049 339 I CA -1.175 60.093 61.300 -0.054 0.000 1.063 339 I CB 1.908 39.883 38.000 -0.041 0.000 1.248 339 I HN -0.130 nan 8.210 nan 0.000 0.424 340 A N 3.553 126.374 122.820 0.002 0.000 2.465 340 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 340 A C -0.150 177.458 177.584 0.040 0.000 1.041 340 A CA -0.510 51.495 52.037 -0.053 0.000 0.718 340 A CB 1.391 20.295 19.000 -0.161 0.000 1.266 340 A HN 0.779 nan 8.150 nan 0.000 0.403 341 S N 1.595 117.313 115.700 0.030 0.000 2.576 341 S HA 0.180 4.650 4.470 -0.000 0.000 0.272 341 S C 0.865 175.486 174.600 0.034 0.000 1.352 341 S CA 0.438 58.693 58.200 0.091 0.000 1.021 341 S CB 0.112 63.334 63.200 0.037 0.000 0.887 341 S HN 1.297 nan 8.310 nan 0.000 0.542 342 Y N 2.157 122.446 120.300 -0.019 0.000 2.274 342 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 342 Y C 2.644 178.474 175.900 -0.117 0.000 1.145 342 Y CA 1.899 59.943 58.100 -0.093 0.000 1.203 342 Y CB -0.269 38.109 38.460 -0.136 0.000 0.984 342 Y HN 0.839 nan 8.280 nan 0.000 0.533 343 R N 0.045 120.492 120.500 -0.088 0.000 2.091 343 R HA -0.267 4.073 4.340 -0.000 0.000 0.238 343 R C 2.336 178.503 176.300 -0.222 0.000 1.136 343 R CA 2.050 58.071 56.100 -0.132 0.000 0.959 343 R CB -0.327 29.978 30.300 0.009 0.000 0.856 343 R HN 0.422 nan 8.270 nan 0.000 0.437 344 Q N 0.587 120.272 119.800 -0.192 0.000 2.049 344 Q HA -0.058 4.282 4.340 -0.000 0.000 0.198 344 Q C 2.087 177.902 176.000 -0.310 0.000 0.971 344 Q CA 1.587 57.264 55.803 -0.210 0.000 0.833 344 Q CB -0.243 28.388 28.738 -0.178 0.000 0.896 344 Q HN 0.467 nan 8.270 nan 0.000 0.434 345 L N 0.439 121.423 121.223 -0.398 0.000 2.081 345 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 345 L C 2.528 179.085 176.870 -0.522 0.000 1.080 345 L CA 1.859 56.383 54.840 -0.527 0.000 0.754 345 L CB -0.521 41.142 42.059 -0.661 0.000 0.893 345 L HN 0.426 nan 8.230 nan 0.000 0.433 346 E N -0.074 119.768 120.200 -0.598 0.000 2.051 346 E HA -0.274 4.076 4.350 -0.000 0.000 0.192 346 E C 2.230 178.678 176.600 -0.254 0.000 0.991 346 E CA 1.325 57.437 56.400 -0.480 0.000 0.799 346 E CB 0.057 29.423 29.700 -0.557 0.000 0.748 346 E HN 0.514 nan 8.360 nan 0.000 0.449 347 Q N -0.434 119.241 119.800 -0.210 0.000 2.167 347 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 347 Q C 2.114 178.117 176.000 0.004 0.000 0.970 347 Q CA 1.336 57.088 55.803 -0.085 0.000 0.855 347 Q CB 0.019 28.716 28.738 -0.070 0.000 0.911 347 Q HN 0.361 nan 8.270 nan 0.000 0.438 348 M N -0.179 119.366 119.600 -0.092 0.000 2.175 348 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 348 M C 1.903 178.302 176.300 0.166 0.000 1.063 348 M CA 1.250 56.552 55.300 0.004 0.000 1.119 348 M CB -0.086 32.316 32.600 -0.330 0.000 1.377 348 M HN 0.222 nan 8.290 nan 0.000 0.415 349 L N 0.306 121.513 121.223 -0.028 0.000 2.201 349 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 349 L C 2.394 179.293 176.870 0.048 0.000 1.105 349 L CA 1.101 55.951 54.840 0.016 0.000 0.775 349 L CB -0.335 41.680 42.059 -0.074 0.000 0.913 349 L HN 0.483 nan 8.230 nan 0.000 0.440 350 Q N -1.243 118.575 119.800 0.031 0.000 2.220 350 Q HA 0.100 4.440 4.340 -0.000 0.000 0.205 350 Q C 1.089 177.086 176.000 -0.006 0.000 0.865 350 Q CA 0.488 56.295 55.803 0.008 0.000 0.960 350 Q CB 0.503 29.232 28.738 -0.015 0.000 1.097 350 Q HN 0.263 nan 8.270 nan 0.000 0.493 351 G N 1.304 110.120 108.800 0.027 0.000 3.502 351 G HA2 0.029 3.989 3.960 -0.000 0.000 0.267 351 G HA3 0.029 3.989 3.960 -0.000 0.000 0.267 351 G C -0.080 174.512 174.900 -0.514 0.000 1.090 351 G CA -0.577 44.388 45.100 -0.225 0.000 0.795 351 G HN 0.284 nan 8.290 nan 0.000 0.535 352 N N -0.351 118.228 118.700 -0.202 0.000 2.705 352 N HA -0.193 4.547 4.740 -0.000 0.000 0.255 352 N C -0.252 175.123 175.510 -0.226 0.000 1.008 352 N CA 0.629 53.577 53.050 -0.171 0.000 0.742 352 N CB -1.227 37.152 38.487 -0.181 0.000 0.906 352 N HN 0.517 nan 8.380 nan 0.000 0.541 353 Y N -0.666 119.678 120.300 0.074 0.000 2.457 353 Y HA 0.285 4.835 4.550 -0.000 0.000 0.263 353 Y C 1.950 177.834 175.900 -0.028 0.000 1.164 353 Y CA 0.619 58.762 58.100 0.072 0.000 1.274 353 Y CB 0.346 38.928 38.460 0.203 0.000 1.097 353 Y HN 0.433 nan 8.280 nan 0.000 0.523 354 G N -1.246 107.560 108.800 0.010 0.000 2.144 354 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 354 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 354 G C -0.301 174.394 174.900 -0.341 0.000 0.988 354 G CA -0.534 44.413 45.100 -0.254 0.000 0.659 354 G HN 0.243 nan 8.290 nan 0.000 0.522 355 Y N 0.471 120.824 120.300 0.089 0.000 2.301 355 Y HA 0.608 5.158 4.550 -0.000 0.000 0.325 355 Y C 0.704 176.611 175.900 0.011 0.000 1.203 355 Y CA -0.158 57.986 58.100 0.073 0.000 1.255 355 Y CB 1.240 39.753 38.460 0.089 0.000 1.232 355 Y HN 0.268 nan 8.280 nan 0.000 0.501 356 Q N 3.613 123.521 119.800 0.180 0.000 2.330 356 Q HA 0.365 4.705 4.340 -0.000 0.000 0.269 356 Q C -1.008 175.053 176.000 0.101 0.000 1.022 356 Q CA -1.047 54.823 55.803 0.112 0.000 0.796 356 Q CB 1.254 30.051 28.738 0.098 0.000 1.271 356 Q HN 0.738 nan 8.270 nan 0.000 0.450 357 R N 4.749 125.286 120.500 0.063 0.000 2.234 357 R HA 0.313 4.653 4.340 -0.000 0.000 0.324 357 R C -0.988 175.285 176.300 -0.044 0.000 1.054 357 R CA -0.288 55.833 56.100 0.035 0.000 0.912 357 R CB 0.457 30.808 30.300 0.086 0.000 1.030 357 R HN 0.526 nan 8.270 nan 0.000 0.455 358 L N 3.928 124.993 121.223 -0.263 0.000 2.298 358 L HA 0.566 4.906 4.340 -0.000 0.000 0.268 358 L C -0.414 176.353 176.870 -0.171 0.000 1.010 358 L CA -0.764 53.851 54.840 -0.375 0.000 0.812 358 L CB 1.322 42.862 42.059 -0.865 0.000 1.331 358 L HN 0.746 nan 8.230 nan 0.000 0.450 359 W N 1.919 123.145 121.300 -0.124 0.000 3.097 359 W HA 0.275 4.935 4.660 -0.000 0.000 0.335 359 W C -1.270 175.385 176.519 0.228 0.000 1.114 359 W CA -0.541 56.851 57.345 0.077 0.000 1.231 359 W CB 1.901 31.373 29.460 0.020 0.000 1.388 359 W HN 0.509 nan 8.180 nan 0.000 0.485 360 N N 3.891 122.401 118.700 -0.317 0.000 2.457 360 N HA 0.044 4.784 4.740 -0.000 0.000 0.250 360 N C -0.059 175.067 175.510 -0.640 0.000 0.982 360 N CA 0.223 53.097 53.050 -0.293 0.000 0.941 360 N CB 1.201 39.491 38.487 -0.328 0.000 1.120 360 N HN 0.446 nan 8.380 nan 0.000 0.505 361 D N 2.346 122.620 120.400 -0.211 0.000 2.363 361 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 361 D C 1.084 177.336 176.300 -0.080 0.000 1.020 361 D CA 0.756 54.732 54.000 -0.040 0.000 0.892 361 D CB 0.584 41.515 40.800 0.218 0.000 0.900 361 D HN 0.394 nan 8.370 nan 0.000 0.531 362 K N -1.036 119.288 120.400 -0.126 0.000 2.141 362 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 362 K C 2.079 178.637 176.600 -0.070 0.000 1.045 362 K CA 1.245 57.496 56.287 -0.059 0.000 0.971 362 K CB -0.548 31.933 32.500 -0.030 0.000 0.795 362 K HN 0.249 nan 8.250 nan 0.000 0.459 363 T N -0.804 113.610 114.554 -0.234 0.000 3.043 363 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 363 T C 0.457 174.916 174.700 -0.401 0.000 1.094 363 T CA 0.191 62.113 62.100 -0.297 0.000 1.127 363 T CB 0.036 68.576 68.868 -0.547 0.000 0.905 363 T HN -0.010 nan 8.240 nan 0.000 0.490 364 K N 2.117 122.152 120.400 -0.608 0.000 3.161 364 K HA -0.110 4.210 4.320 -0.000 0.000 0.270 364 K C -0.085 175.931 176.600 -0.975 0.000 1.115 364 K CA 1.205 57.001 56.287 -0.818 0.000 0.789 364 K CB -2.786 29.393 32.500 -0.536 0.000 1.256 364 K HN 0.901 nan 8.250 nan 0.000 0.492 365 T N -2.446 111.365 114.554 -1.239 0.000 2.916 365 T HA 0.699 5.049 4.350 -0.000 0.000 0.305 365 T C -2.938 171.371 174.700 -0.651 0.000 1.119 365 T CA -1.683 59.953 62.100 -0.773 0.000 1.008 365 T CB 3.786 72.419 68.868 -0.393 0.000 1.129 365 T HN -0.155 nan 8.240 nan 0.000 0.480 366 P HA 0.567 nan 4.420 nan 0.000 0.281 366 P C -1.618 175.753 177.300 0.118 0.000 1.281 366 P CA -0.509 62.605 63.100 0.023 0.000 0.811 366 P CB 0.636 32.322 31.700 -0.024 0.000 1.154 367 Y N -2.616 117.750 120.300 0.111 0.000 2.604 367 Y HA 0.574 5.124 4.550 -0.000 0.000 0.331 367 Y C -1.842 174.160 175.900 0.169 0.000 1.158 367 Y CA -1.338 56.816 58.100 0.090 0.000 1.056 367 Y CB 0.322 38.713 38.460 -0.115 0.000 1.330 367 Y HN 0.101 nan 8.280 nan 0.000 0.457 368 L N 3.339 124.639 121.223 0.128 0.000 2.334 368 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 368 L C -1.249 175.813 176.870 0.320 0.000 1.036 368 L CA -1.116 53.801 54.840 0.129 0.000 0.807 368 L CB 1.716 43.772 42.059 -0.005 0.000 1.231 368 L HN 0.780 nan 8.230 nan 0.000 0.438 369 Y N 1.231 121.678 120.300 0.245 0.000 2.442 369 Y HA 0.359 4.909 4.550 -0.000 0.000 0.344 369 Y C -1.079 174.996 175.900 0.292 0.000 0.976 369 Y CA -1.222 57.061 58.100 0.305 0.000 1.040 369 Y CB 1.474 40.093 38.460 0.264 0.000 1.228 369 Y HN 0.541 nan 8.280 nan 0.000 0.451 370 H N 5.096 123.881 119.070 -0.475 0.000 2.697 370 H HA 0.583 5.139 4.556 -0.000 0.000 0.270 370 H C 0.494 175.313 175.328 -0.848 0.000 1.188 370 H CA 0.254 55.965 56.048 -0.563 0.000 1.322 370 H CB 1.108 30.629 29.762 -0.401 0.000 1.405 370 H HN 0.861 nan 8.280 nan 0.000 0.502 371 A N 3.271 125.471 122.820 -1.034 0.000 1.917 371 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 371 A C 2.138 179.548 177.584 -0.291 0.000 1.182 371 A CA 2.013 53.654 52.037 -0.659 0.000 0.633 371 A CB -0.467 18.352 19.000 -0.303 0.000 0.819 371 A HN 0.811 nan 8.150 nan 0.000 0.448 372 Q N -0.892 118.700 119.800 -0.346 0.000 2.119 372 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 372 Q C 0.672 176.706 176.000 0.056 0.000 0.972 372 Q CA 1.760 57.485 55.803 -0.130 0.000 0.847 372 Q CB -0.021 28.618 28.738 -0.165 0.000 0.903 372 Q HN 0.668 nan 8.270 nan 0.000 0.433 373 N N -0.986 117.875 118.700 0.269 0.000 2.187 373 N HA 0.191 4.931 4.740 -0.000 0.000 0.212 373 N C -0.511 175.063 175.510 0.107 0.000 1.152 373 N CA 0.701 53.852 53.050 0.168 0.000 0.872 373 N CB 1.447 39.985 38.487 0.086 0.000 1.025 373 N HN 0.306 nan 8.380 nan 0.000 0.514 374 G N 1.133 110.000 108.800 0.111 0.000 2.351 374 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.297 374 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.297 374 G C -0.530 174.489 174.900 0.198 0.000 1.054 374 G CA 0.143 45.341 45.100 0.163 0.000 1.123 374 G HN 0.243 nan 8.290 nan 0.000 0.512 375 L N -0.793 120.577 121.223 0.245 0.000 2.333 375 L HA 0.899 5.239 4.340 -0.000 0.000 0.269 375 L C -0.224 176.969 176.870 0.539 0.000 1.010 375 L CA -1.334 53.707 54.840 0.334 0.000 0.818 375 L CB 2.135 44.365 42.059 0.285 0.000 1.306 375 L HN 0.195 nan 8.230 nan 0.000 0.430 376 F N 2.040 122.211 119.950 0.368 0.000 2.561 376 F HA 0.712 5.239 4.527 -0.000 0.000 0.313 376 F C -1.411 174.612 175.800 0.372 0.000 1.126 376 F CA -0.578 57.636 58.000 0.357 0.000 0.918 376 F CB 1.741 40.838 39.000 0.162 0.000 1.199 376 F HN 0.049 nan 8.300 nan 0.000 0.444 377 V N 4.384 124.056 119.914 -0.402 0.000 2.531 377 V HA 0.493 4.613 4.120 -0.000 0.000 0.301 377 V C -0.469 175.364 176.094 -0.434 0.000 1.034 377 V CA -0.698 61.453 62.300 -0.249 0.000 0.865 377 V CB 1.830 33.575 31.823 -0.130 0.000 0.995 377 V HN 0.841 nan 8.190 nan 0.000 0.424 378 T N 5.169 119.627 114.554 -0.161 0.000 2.771 378 T HA 0.772 5.122 4.350 -0.000 0.000 0.281 378 T C -0.944 173.884 174.700 0.212 0.000 0.982 378 T CA -0.200 61.900 62.100 -0.000 0.000 0.978 378 T CB 0.573 69.502 68.868 0.101 0.000 0.930 378 T HN 0.807 nan 8.240 nan 0.000 0.447 379 Y N 1.509 121.803 120.300 -0.010 0.000 2.840 379 Y HA 0.821 5.371 4.550 -0.000 0.000 0.324 379 Y C -1.550 174.353 175.900 0.004 0.000 1.378 379 Y CA -1.694 56.390 58.100 -0.027 0.000 1.077 379 Y CB 0.381 38.827 38.460 -0.022 0.000 1.361 379 Y HN 0.489 nan 8.280 nan 0.000 0.459 380 D N 0.180 120.442 120.400 -0.230 0.000 2.419 380 D HA 0.527 5.167 4.640 -0.000 0.000 0.234 380 D C -1.382 174.587 176.300 -0.552 0.000 1.014 380 D CA -0.134 53.644 54.000 -0.369 0.000 0.919 380 D CB 1.945 42.704 40.800 -0.068 0.000 1.366 380 D HN 0.723 nan 8.370 nan 0.000 0.490 381 D N -0.909 119.057 120.400 -0.723 0.000 2.812 381 D HA 0.428 5.068 4.640 -0.000 0.000 0.318 381 D C 0.409 176.153 176.300 -0.927 0.000 1.234 381 D CA -0.770 52.767 54.000 -0.772 0.000 0.989 381 D CB 0.278 40.975 40.800 -0.171 0.000 1.442 381 D HN 0.281 nan 8.370 nan 0.000 0.537 382 A N -0.551 121.941 122.820 -0.548 0.000 2.024 382 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 382 A C 1.885 179.478 177.584 0.015 0.000 1.164 382 A CA 2.221 54.118 52.037 -0.234 0.000 0.643 382 A CB -0.883 18.052 19.000 -0.110 0.000 0.806 382 A HN 0.572 nan 8.150 nan 0.000 0.451 383 E N 0.465 120.649 120.200 -0.025 0.000 2.046 383 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 383 E C 2.346 179.140 176.600 0.323 0.000 0.982 383 E CA 1.626 58.063 56.400 0.061 0.000 0.800 383 E CB -0.280 29.361 29.700 -0.098 0.000 0.756 383 E HN 0.675 nan 8.360 nan 0.000 0.449 384 S N -0.317 115.602 115.700 0.365 0.000 2.402 384 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 384 S C 1.792 176.695 174.600 0.505 0.000 1.021 384 S CA 0.663 59.169 58.200 0.510 0.000 0.974 384 S CB -0.563 62.751 63.200 0.189 0.000 0.800 384 S HN 0.177 nan 8.310 nan 0.000 0.484 385 F N 2.530 122.605 119.950 0.208 0.000 2.333 385 F HA 0.174 4.701 4.527 -0.000 0.000 0.300 385 F C 2.220 178.098 175.800 0.129 0.000 1.083 385 F CA -0.003 58.111 58.000 0.191 0.000 1.395 385 F CB -0.723 38.384 39.000 0.179 0.000 1.056 385 F HN 0.297 nan 8.300 nan 0.000 0.529 386 K N -0.751 119.693 120.400 0.074 0.000 2.057 386 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 386 K C 1.976 178.390 176.600 -0.311 0.000 1.049 386 K CA 1.695 57.655 56.287 -0.546 0.000 0.931 386 K CB -0.487 31.574 32.500 -0.731 0.000 0.714 386 K HN 0.232 nan 8.250 nan 0.000 0.440 387 Y N 1.415 121.778 120.300 0.104 0.000 2.200 387 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 387 Y C 2.196 178.192 175.900 0.159 0.000 1.137 387 Y CA 1.112 59.306 58.100 0.155 0.000 1.163 387 Y CB -0.155 38.418 38.460 0.188 0.000 0.988 387 Y HN -0.049 nan 8.280 nan 0.000 0.518 388 K N -0.026 120.547 120.400 0.289 0.000 2.097 388 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 388 K C 2.393 179.140 176.600 0.246 0.000 1.050 388 K CA 1.067 57.483 56.287 0.214 0.000 0.938 388 K CB -0.371 32.241 32.500 0.186 0.000 0.718 388 K HN 0.288 nan 8.250 nan 0.000 0.442 389 A N 1.979 124.897 122.820 0.163 0.000 1.898 389 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 389 A C 2.087 179.823 177.584 0.254 0.000 1.181 389 A CA 1.683 53.787 52.037 0.110 0.000 0.620 389 A CB -0.354 18.545 19.000 -0.168 0.000 0.819 389 A HN 0.228 nan 8.150 nan 0.000 0.442 390 K N -1.814 118.693 120.400 0.179 0.000 2.057 390 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 390 K C 1.905 178.655 176.600 0.250 0.000 1.049 390 K CA 1.652 58.058 56.287 0.199 0.000 0.931 390 K CB -0.413 32.170 32.500 0.139 0.000 0.714 390 K HN 0.502 nan 8.250 nan 0.000 0.440 391 Y N 1.343 121.750 120.300 0.178 0.000 2.128 391 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 391 Y C 1.766 177.765 175.900 0.165 0.000 1.154 391 Y CA 1.854 60.057 58.100 0.172 0.000 1.149 391 Y CB -0.084 38.441 38.460 0.109 0.000 0.976 391 Y HN 0.035 nan 8.280 nan 0.000 0.505 392 I N 0.139 120.925 120.570 0.359 0.000 2.163 392 I HA -0.374 3.796 4.170 -0.000 0.000 0.243 392 I C 2.320 178.528 176.117 0.152 0.000 1.085 392 I CA 1.820 63.283 61.300 0.272 0.000 1.347 392 I CB -0.405 37.822 38.000 0.377 0.000 1.044 392 I HN 0.229 nan 8.210 nan 0.000 0.408 393 K N 0.393 120.918 120.400 0.208 0.000 2.002 393 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 393 K C 2.149 178.786 176.600 0.061 0.000 1.048 393 K CA 1.472 57.844 56.287 0.141 0.000 0.930 393 K CB -0.269 32.349 32.500 0.196 0.000 0.714 393 K HN 0.388 nan 8.250 nan 0.000 0.438 394 Q N 0.443 120.266 119.800 0.037 0.000 2.096 394 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 394 Q C 1.855 177.806 176.000 -0.082 0.000 0.982 394 Q CA 1.113 56.903 55.803 -0.020 0.000 0.850 394 Q CB 0.075 28.794 28.738 -0.031 0.000 0.901 394 Q HN 0.265 nan 8.270 nan 0.000 0.422 395 Q N 0.079 119.778 119.800 -0.168 0.000 2.403 395 Q HA 0.006 4.346 4.340 -0.000 0.000 0.203 395 Q C -0.242 175.733 176.000 -0.042 0.000 0.932 395 Q CA 0.260 55.971 55.803 -0.153 0.000 0.945 395 Q CB 0.531 29.097 28.738 -0.286 0.000 1.045 395 Q HN 0.406 nan 8.270 nan 0.000 0.511 396 Q N 0.460 120.251 119.800 -0.015 0.000 2.463 396 Q HA -0.187 4.152 4.340 -0.000 0.000 0.299 396 Q C -0.575 175.440 176.000 0.024 0.000 1.353 396 Q CA 0.241 56.050 55.803 0.010 0.000 0.828 396 Q CB -1.951 26.794 28.738 0.012 0.000 1.157 396 Q HN 0.362 nan 8.270 nan 0.000 0.436 397 L N -1.633 119.609 121.223 0.032 0.000 2.468 397 L HA 0.259 4.599 4.340 -0.000 0.000 0.254 397 L C 1.869 178.753 176.870 0.023 0.000 1.171 397 L CA 0.484 55.355 54.840 0.052 0.000 0.809 397 L CB 0.144 42.255 42.059 0.087 0.000 1.155 397 L HN 0.331 nan 8.230 nan 0.000 0.473 398 G N -0.591 108.235 108.800 0.045 0.000 2.422 398 G HA2 0.323 4.283 3.960 -0.000 0.000 0.218 398 G HA3 0.323 4.283 3.960 -0.000 0.000 0.218 398 G C 0.562 175.372 174.900 -0.149 0.000 1.140 398 G CA 0.792 45.912 45.100 0.034 0.000 0.775 398 G HN 0.947 nan 8.290 nan 0.000 0.545 399 G N -2.080 106.624 108.800 -0.160 0.000 2.368 399 G HA2 0.378 4.338 3.960 -0.000 0.000 0.269 399 G HA3 0.378 4.338 3.960 -0.000 0.000 0.269 399 G C -1.659 173.217 174.900 -0.040 0.000 1.291 399 G CA 0.104 45.072 45.100 -0.221 0.000 0.903 399 G HN 0.804 nan 8.290 nan 0.000 0.483 400 V N 1.094 121.037 119.914 0.048 0.000 2.919 400 V HA 0.926 5.046 4.120 -0.000 0.000 0.316 400 V C -0.456 175.680 176.094 0.070 0.000 1.077 400 V CA -0.680 61.699 62.300 0.131 0.000 0.977 400 V CB 1.804 33.776 31.823 0.250 0.000 1.039 400 V HN 1.238 nan 8.190 nan 0.000 0.441 401 M N 5.947 125.617 119.600 0.116 0.000 2.550 401 M HA 0.637 5.117 4.480 -0.000 0.000 0.292 401 M C -2.181 174.257 176.300 0.230 0.000 1.221 401 M CA -0.549 54.800 55.300 0.082 0.000 0.873 401 M CB 2.019 34.692 32.600 0.122 0.000 1.727 401 M HN 0.763 nan 8.290 nan 0.000 0.459 402 F N 1.710 121.713 119.950 0.088 0.000 2.601 402 F HA 0.799 5.326 4.527 -0.000 0.000 0.309 402 F C -2.096 173.721 175.800 0.028 0.000 1.089 402 F CA -1.049 56.922 58.000 -0.048 0.000 0.940 402 F CB 1.280 39.950 39.000 -0.551 0.000 1.273 402 F HN 0.685 nan 8.300 nan 0.000 0.450 403 W N 6.588 127.910 121.300 0.037 0.000 2.424 403 W HA 0.465 5.125 4.660 -0.000 0.000 0.318 403 W C -1.894 174.722 176.519 0.161 0.000 1.016 403 W CA -0.410 56.961 57.345 0.043 0.000 1.268 403 W CB 1.147 30.520 29.460 -0.145 0.000 1.297 403 W HN 0.999 nan 8.180 nan 0.000 0.428 404 H N 4.037 122.878 119.070 -0.381 0.000 2.985 404 H HA 0.252 4.808 4.556 -0.000 0.000 0.360 404 H C 0.383 175.587 175.328 -0.208 0.000 1.221 404 H CA -0.810 54.890 56.048 -0.579 0.000 1.121 404 H CB 1.408 30.311 29.762 -1.432 0.000 1.854 404 H HN 0.405 nan 8.280 nan 0.000 0.551 405 L N 1.035 122.260 121.223 0.004 0.000 2.021 405 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 405 L C 2.435 178.980 176.870 -0.541 0.000 1.074 405 L CA 2.194 57.070 54.840 0.060 0.000 0.760 405 L CB -0.775 41.395 42.059 0.184 0.000 0.889 405 L HN 0.984 nan 8.230 nan 0.000 0.433 406 G N -1.448 106.977 108.800 -0.624 0.000 2.564 406 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 406 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 406 G C 1.259 175.718 174.900 -0.735 0.000 1.124 406 G CA 0.370 44.941 45.100 -0.882 0.000 0.764 406 G HN 0.534 nan 8.290 nan 0.000 0.550 407 Q N -0.513 118.911 119.800 -0.627 0.000 2.282 407 Q HA 0.125 4.465 4.340 -0.000 0.000 0.206 407 Q C 0.239 176.251 176.000 0.020 0.000 0.878 407 Q CA -0.514 55.168 55.803 -0.202 0.000 0.944 407 Q CB 0.624 29.301 28.738 -0.103 0.000 1.100 407 Q HN 0.276 nan 8.270 nan 0.000 0.509 408 D N 1.548 121.956 120.400 0.013 0.000 2.371 408 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 408 D C -0.043 176.348 176.300 0.152 0.000 1.218 408 D CA -0.031 53.980 54.000 0.018 0.000 0.945 408 D CB 0.696 41.514 40.800 0.030 0.000 1.137 408 D HN 0.107 nan 8.370 nan 0.000 0.464 409 N N 0.501 119.303 118.700 0.170 0.000 2.327 409 N HA 0.061 4.801 4.740 -0.000 0.000 0.257 409 N C 0.858 176.478 175.510 0.183 0.000 1.281 409 N CA -0.196 52.943 53.050 0.148 0.000 0.942 409 N CB 0.350 38.897 38.487 0.100 0.000 1.199 409 N HN 0.191 nan 8.380 nan 0.000 0.532 410 R N -0.225 120.348 120.500 0.121 0.000 2.096 410 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 410 R C 0.820 177.162 176.300 0.069 0.000 1.127 410 R CA 0.962 57.115 56.100 0.089 0.000 0.968 410 R CB -1.109 29.204 30.300 0.022 0.000 0.861 410 R HN 0.627 nan 8.270 nan 0.000 0.440 411 N N 0.336 119.068 118.700 0.053 0.000 2.550 411 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 411 N C 0.546 176.083 175.510 0.045 0.000 1.110 411 N CA 1.004 54.075 53.050 0.034 0.000 0.912 411 N CB 0.059 38.557 38.487 0.018 0.000 0.968 411 N HN 0.384 nan 8.380 nan 0.000 0.448 412 G N 1.703 110.552 108.800 0.080 0.000 2.338 412 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.296 412 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.296 412 G C 0.419 175.306 174.900 -0.022 0.000 1.040 412 G CA 0.376 45.517 45.100 0.069 0.000 1.004 412 G HN 0.237 nan 8.290 nan 0.000 0.509 413 D N -0.264 120.105 120.400 -0.051 0.000 2.178 413 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 413 D C 2.722 178.886 176.300 -0.225 0.000 0.974 413 D CA 0.936 54.870 54.000 -0.110 0.000 0.841 413 D CB 0.061 40.821 40.800 -0.067 0.000 0.953 413 D HN 0.562 nan 8.370 nan 0.000 0.478 414 L N 0.213 121.206 121.223 -0.383 0.000 2.027 414 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 414 L C 2.468 179.196 176.870 -0.236 0.000 1.074 414 L CA 0.564 55.112 54.840 -0.487 0.000 0.745 414 L CB -0.459 40.854 42.059 -1.243 0.000 0.898 414 L HN 0.080 nan 8.230 nan 0.000 0.433 415 L N 0.510 121.625 121.223 -0.180 0.000 2.046 415 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 415 L C 2.601 179.418 176.870 -0.088 0.000 1.077 415 L CA 2.016 56.819 54.840 -0.062 0.000 0.747 415 L CB -0.765 41.330 42.059 0.059 0.000 0.896 415 L HN 0.135 nan 8.230 nan 0.000 0.432 416 A N -0.355 122.398 122.820 -0.111 0.000 1.902 416 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 416 A C 2.472 179.884 177.584 -0.287 0.000 1.181 416 A CA 1.832 53.785 52.037 -0.139 0.000 0.623 416 A CB -1.187 17.750 19.000 -0.105 0.000 0.818 416 A HN 0.608 nan 8.150 nan 0.000 0.443 417 A N -0.048 122.547 122.820 -0.375 0.000 1.877 417 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 417 A C 2.176 179.095 177.584 -1.109 0.000 1.186 417 A CA 1.532 53.105 52.037 -0.773 0.000 0.620 417 A CB -0.707 17.989 19.000 -0.506 0.000 0.822 417 A HN 0.476 nan 8.150 nan 0.000 0.443 418 L N -0.531 120.349 121.223 -0.573 0.000 2.013 418 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 418 L C 2.489 179.101 176.870 -0.429 0.000 1.073 418 L CA 2.055 56.601 54.840 -0.490 0.000 0.753 418 L CB -0.712 41.215 42.059 -0.220 0.000 0.890 418 L HN 0.533 nan 8.230 nan 0.000 0.432 419 D N -0.104 120.162 120.400 -0.224 0.000 2.144 419 D HA -0.228 4.412 4.640 -0.000 0.000 0.199 419 D C 2.294 178.511 176.300 -0.137 0.000 0.984 419 D CA 1.129 55.091 54.000 -0.064 0.000 0.834 419 D CB 0.036 40.827 40.800 -0.014 0.000 0.955 419 D HN 0.076 nan 8.370 nan 0.000 0.465 420 R N -1.102 119.202 120.500 -0.325 0.000 2.083 420 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 420 R C 1.921 178.021 176.300 -0.334 0.000 1.137 420 R CA 1.445 57.354 56.100 -0.319 0.000 0.951 420 R CB -0.466 29.566 30.300 -0.448 0.000 0.851 420 R HN 0.264 nan 8.270 nan 0.000 0.434 421 Y N -0.537 119.394 120.300 -0.615 0.000 2.333 421 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 421 Y C 1.880 177.624 175.900 -0.260 0.000 1.144 421 Y CA 0.570 58.214 58.100 -0.760 0.000 1.228 421 Y CB -0.445 37.558 38.460 -0.761 0.000 0.985 421 Y HN 0.069 nan 8.280 nan 0.000 0.542 422 F N -0.693 119.303 119.950 0.077 0.000 2.446 422 F HA 0.061 4.588 4.527 -0.000 0.000 0.292 422 F C 1.321 177.173 175.800 0.086 0.000 1.096 422 F CA 0.633 58.688 58.000 0.092 0.000 1.438 422 F CB -0.576 38.461 39.000 0.061 0.000 1.107 422 F HN 0.044 nan 8.300 nan 0.000 0.546 423 N N -0.994 117.848 118.700 0.236 0.000 2.211 423 N HA 0.278 5.018 4.740 -0.000 0.000 0.216 423 N C 0.294 175.882 175.510 0.130 0.000 1.240 423 N CA 0.095 53.246 53.050 0.167 0.000 0.895 423 N CB 0.445 39.014 38.487 0.137 0.000 1.102 423 N HN -0.018 nan 8.380 nan 0.000 0.498 424 A N 0.989 123.879 122.820 0.118 0.000 2.491 424 A HA 0.499 4.819 4.320 -0.000 0.000 0.261 424 A C 1.363 179.042 177.584 0.159 0.000 1.101 424 A CA 0.059 52.169 52.037 0.121 0.000 0.772 424 A CB 0.140 19.206 19.000 0.110 0.000 1.043 424 A HN 0.345 nan 8.150 nan 0.000 0.501 425 A N 2.360 125.249 122.820 0.115 0.000 2.121 425 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 425 A C 1.155 178.799 177.584 0.101 0.000 1.154 425 A CA 1.510 53.608 52.037 0.102 0.000 0.679 425 A CB -0.315 18.728 19.000 0.072 0.000 0.795 425 A HN 0.840 nan 8.150 nan 0.000 0.458 426 D N -2.607 117.862 120.400 0.114 0.000 2.342 426 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 426 D C -0.070 176.313 176.300 0.137 0.000 1.101 426 D CA -0.272 53.787 54.000 0.099 0.000 0.837 426 D CB -0.530 40.316 40.800 0.078 0.000 0.938 426 D HN 0.445 nan 8.370 nan 0.000 0.508 427 Y N 1.173 121.503 120.300 0.050 0.000 2.335 427 Y HA 0.449 4.999 4.550 -0.000 0.000 0.338 427 Y C -1.528 174.397 175.900 0.041 0.000 0.977 427 Y CA -1.382 56.752 58.100 0.056 0.000 1.114 427 Y CB 1.588 40.112 38.460 0.106 0.000 1.182 427 Y HN -0.189 nan 8.280 nan 0.000 0.463 428 D N 4.319 124.339 120.400 -0.633 0.000 2.620 428 D HA 0.184 4.824 4.640 -0.000 0.000 0.252 428 D C -0.868 175.061 176.300 -0.619 0.000 1.207 428 D CA -0.636 53.098 54.000 -0.444 0.000 0.884 428 D CB 1.189 41.867 40.800 -0.202 0.000 1.262 428 D HN 0.672 nan 8.370 nan 0.000 0.552 429 D N 1.336 121.470 120.400 -0.444 0.000 2.462 429 D HA 0.004 4.644 4.640 -0.000 0.000 0.221 429 D C 1.137 177.361 176.300 -0.126 0.000 1.173 429 D CA 0.000 53.816 54.000 -0.306 0.000 0.831 429 D CB -0.066 40.639 40.800 -0.160 0.000 1.001 429 D HN 0.198 nan 8.370 nan 0.000 0.499 430 S N 0.189 115.830 115.700 -0.098 0.000 2.420 430 S HA -0.276 4.194 4.470 -0.000 0.000 0.237 430 S C 1.613 176.194 174.600 -0.033 0.000 1.023 430 S CA 0.953 59.129 58.200 -0.040 0.000 0.991 430 S CB -0.518 62.663 63.200 -0.032 0.000 0.792 430 S HN 0.378 nan 8.310 nan 0.000 0.488 431 Q N -0.011 119.754 119.800 -0.059 0.000 2.319 431 Q HA 0.367 4.707 4.340 -0.000 0.000 0.202 431 Q C -0.377 175.611 176.000 -0.020 0.000 0.896 431 Q CA -0.418 55.365 55.803 -0.034 0.000 0.942 431 Q CB 0.099 28.812 28.738 -0.042 0.000 1.083 431 Q HN 0.421 nan 8.270 nan 0.000 0.510 432 L N 2.732 123.930 121.223 -0.042 0.000 2.534 432 L HA 0.005 4.345 4.340 -0.000 0.000 0.271 432 L C -0.316 176.608 176.870 0.089 0.000 1.178 432 L CA 0.462 55.289 54.840 -0.022 0.000 0.907 432 L CB 0.363 42.351 42.059 -0.119 0.000 1.164 432 L HN -0.007 nan 8.230 nan 0.000 0.482 433 D N 4.813 125.308 120.400 0.159 0.000 2.339 433 D HA 0.095 4.735 4.640 -0.000 0.000 0.241 433 D C 0.891 177.381 176.300 0.316 0.000 1.183 433 D CA -0.303 53.811 54.000 0.190 0.000 0.859 433 D CB 0.797 41.686 40.800 0.149 0.000 1.067 433 D HN 0.490 nan 8.370 nan 0.000 0.484 434 M N 2.995 122.770 119.600 0.290 0.000 2.700 434 M HA 0.172 4.652 4.480 -0.000 0.000 0.249 434 M C 1.235 177.680 176.300 0.240 0.000 1.082 434 M CA 0.682 56.217 55.300 0.392 0.000 1.077 434 M CB -1.628 31.210 32.600 0.396 0.000 1.477 434 M HN 0.697 nan 8.290 nan 0.000 0.529 435 G N 0.762 109.646 108.800 0.140 0.000 2.750 435 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 435 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 435 G C 0.292 175.163 174.900 -0.049 0.000 1.367 435 G CA 0.145 45.278 45.100 0.055 0.000 0.871 435 G HN 0.413 nan 8.290 nan 0.000 0.560 436 T N -1.284 113.239 114.554 -0.052 0.000 3.129 436 T HA 0.579 4.928 4.350 -0.000 0.000 0.267 436 T C 1.381 176.015 174.700 -0.108 0.000 1.018 436 T CA 1.082 63.130 62.100 -0.087 0.000 0.903 436 T CB 0.534 69.379 68.868 -0.037 0.000 1.067 436 T HN 1.947 nan 8.240 nan 0.000 0.549 437 G N 1.916 110.650 108.800 -0.109 0.000 2.647 437 G HA2 0.396 4.356 3.960 -0.000 0.000 0.234 437 G HA3 0.396 4.356 3.960 -0.000 0.000 0.234 437 G C 0.029 174.874 174.900 -0.092 0.000 1.252 437 G CA -0.652 44.423 45.100 -0.042 0.000 0.846 437 G HN 0.584 nan 8.290 nan 0.000 0.589 438 L N 0.869 122.097 121.223 0.009 0.000 2.499 438 L HA 0.220 4.560 4.340 -0.000 0.000 0.273 438 L C 0.782 177.713 176.870 0.101 0.000 1.195 438 L CA -0.333 54.524 54.840 0.028 0.000 0.882 438 L CB 0.255 42.348 42.059 0.057 0.000 1.133 438 L HN 0.357 nan 8.230 nan 0.000 0.483 439 R N 1.844 122.380 120.500 0.059 0.000 2.428 439 R HA 0.246 4.586 4.340 -0.000 0.000 0.294 439 R C -0.813 175.626 176.300 0.230 0.000 1.000 439 R CA -0.659 55.546 56.100 0.174 0.000 0.960 439 R CB 0.614 30.956 30.300 0.069 0.000 1.076 439 R HN 0.314 nan 8.270 nan 0.000 0.475 440 Y N 1.894 122.320 120.300 0.210 0.000 2.587 440 Y HA -0.004 4.546 4.550 -0.000 0.000 0.344 440 Y C 1.056 177.024 175.900 0.114 0.000 1.061 440 Y CA 0.413 58.617 58.100 0.172 0.000 1.370 440 Y CB 0.596 39.172 38.460 0.195 0.000 1.163 440 Y HN 0.763 nan 8.280 nan 0.000 0.527 441 T N 1.527 115.945 114.554 -0.226 0.000 3.148 441 T HA 0.195 4.545 4.350 -0.000 0.000 0.253 441 T C 1.017 175.588 174.700 -0.214 0.000 1.134 441 T CA 0.140 62.145 62.100 -0.159 0.000 1.051 441 T CB -0.461 68.324 68.868 -0.138 0.000 0.959 441 T HN 0.766 nan 8.240 nan 0.000 0.525 442 G N 0.810 109.360 108.800 -0.417 0.000 2.559 442 G HA2 0.443 4.403 3.960 -0.000 0.000 0.235 442 G HA3 0.443 4.403 3.960 -0.000 0.000 0.235 442 G C -0.895 173.989 174.900 -0.028 0.000 1.266 442 G CA -0.251 44.722 45.100 -0.212 0.000 0.847 442 G HN 0.402 nan 8.290 nan 0.000 0.583 443 V N 1.179 121.031 119.914 -0.104 0.000 2.733 443 V HA 0.781 4.901 4.120 -0.000 0.000 0.306 443 V C 0.592 176.583 176.094 -0.171 0.000 1.084 443 V CA 0.077 62.323 62.300 -0.089 0.000 0.905 443 V CB 1.653 33.419 31.823 -0.096 0.000 1.010 443 V HN 1.220 nan 8.190 nan 0.000 0.424 444 G N 3.744 112.457 108.800 -0.145 0.000 3.105 444 G HA2 0.646 4.606 3.960 -0.000 0.000 0.277 444 G HA3 0.646 4.606 3.960 -0.000 0.000 0.277 444 G C -2.450 172.283 174.900 -0.279 0.000 1.375 444 G CA -1.280 43.654 45.100 -0.276 0.000 0.962 444 G HN 0.461 nan 8.290 nan 0.000 0.541 445 P HA -0.074 nan 4.420 nan 0.000 0.216 445 P C 1.745 178.976 177.300 -0.116 0.000 1.154 445 P CA 1.961 64.874 63.100 -0.310 0.000 0.865 445 P CB 0.170 31.669 31.700 -0.336 0.000 0.789 446 G N -1.166 107.610 108.800 -0.040 0.000 2.985 446 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.209 446 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.209 446 G C 0.607 175.517 174.900 0.017 0.000 1.165 446 G CA 0.087 45.195 45.100 0.013 0.000 0.776 446 G HN 0.367 nan 8.290 nan 0.000 0.541 447 N N -0.136 118.561 118.700 -0.004 0.000 2.595 447 N HA 0.127 4.867 4.740 -0.000 0.000 0.291 447 N C -0.356 175.141 175.510 -0.021 0.000 1.706 447 N CA -0.364 52.689 53.050 0.006 0.000 0.867 447 N CB -0.582 37.928 38.487 0.039 0.000 1.414 447 N HN 0.047 nan 8.380 nan 0.000 0.492 448 L N 0.656 121.852 121.223 -0.045 0.000 2.452 448 L HA 0.400 4.740 4.340 -0.000 0.000 0.267 448 L C -1.904 174.939 176.870 -0.045 0.000 1.188 448 L CA -1.492 53.309 54.840 -0.064 0.000 0.821 448 L CB 0.242 42.252 42.059 -0.082 0.000 1.102 448 L HN -0.025 nan 8.230 nan 0.000 0.470 449 P HA 0.154 nan 4.420 nan 0.000 0.271 449 P C -0.491 176.783 177.300 -0.042 0.000 1.218 449 P CA -0.178 62.901 63.100 -0.036 0.000 0.780 449 P CB 0.500 32.181 31.700 -0.032 0.000 0.901 450 I N 3.721 124.269 120.570 -0.037 0.000 2.588 450 I HA 0.206 4.376 4.170 -0.000 0.000 0.283 450 I C 0.820 176.916 176.117 -0.037 0.000 1.119 450 I CA 0.556 61.829 61.300 -0.045 0.000 1.419 450 I CB -0.049 37.928 38.000 -0.039 0.000 1.394 450 I HN 0.332 nan 8.210 nan 0.000 0.562 451 M N 3.970 123.546 119.600 -0.040 0.000 2.880 451 M HA 0.566 5.046 4.480 -0.000 0.000 0.269 451 M C -1.085 175.204 176.300 -0.019 0.000 1.248 451 M CA -0.900 54.385 55.300 -0.024 0.000 0.821 451 M CB 2.193 34.782 32.600 -0.019 0.000 1.650 451 M HN 0.427 nan 8.290 nan 0.000 0.479 452 T N -1.055 113.498 114.554 -0.001 0.000 2.907 452 T HA 1.003 5.353 4.350 -0.000 0.000 0.292 452 T C -0.725 173.993 174.700 0.030 0.000 1.043 452 T CA -0.453 61.653 62.100 0.010 0.000 1.003 452 T CB 2.073 70.947 68.868 0.010 0.000 1.084 452 T HN 1.423 nan 8.240 nan 0.000 0.483 453 A N 1.642 124.488 122.820 0.044 0.000 2.599 453 A HA 0.757 5.077 4.320 -0.000 0.000 0.294 453 A C -3.305 174.324 177.584 0.075 0.000 1.055 453 A CA -1.512 50.564 52.037 0.065 0.000 0.683 453 A CB 0.416 19.466 19.000 0.083 0.000 1.278 453 A HN 0.649 nan 8.150 nan 0.000 0.412 454 P HA 0.386 nan 4.420 nan 0.000 0.267 454 P C 0.278 177.642 177.300 0.107 0.000 1.205 454 P CA 0.548 63.703 63.100 0.091 0.000 0.765 454 P CB 0.755 32.521 31.700 0.109 0.000 0.828 455 A N 3.870 126.748 122.820 0.098 0.000 2.547 455 A HA -0.014 4.306 4.320 -0.000 0.000 0.233 455 A C -0.164 177.509 177.584 0.148 0.000 1.067 455 A CA 0.086 52.197 52.037 0.125 0.000 0.763 455 A CB -0.531 18.527 19.000 0.097 0.000 1.007 455 A HN 0.564 nan 8.150 nan 0.000 0.506 456 Y N 1.904 122.232 120.300 0.047 0.000 2.511 456 Y HA 0.372 4.922 4.550 -0.000 0.000 0.332 456 Y C -0.160 175.778 175.900 0.063 0.000 1.177 456 Y CA 0.048 58.129 58.100 -0.033 0.000 1.422 456 Y CB 0.551 38.841 38.460 -0.282 0.000 1.271 456 Y HN 0.337 nan 8.280 nan 0.000 0.550 457 V N 9.645 129.205 119.914 -0.590 0.000 2.304 457 V HA 0.287 4.407 4.120 -0.000 0.000 0.278 457 V C -2.230 173.400 176.094 -0.772 0.000 1.018 457 V CA -2.113 59.888 62.300 -0.497 0.000 0.814 457 V CB 1.073 32.793 31.823 -0.170 0.000 1.021 457 V HN 0.747 nan 8.190 nan 0.000 0.440 458 P HA 0.224 nan 4.420 nan 0.000 0.261 458 P C 1.040 178.230 177.300 -0.183 0.000 1.183 458 P CA 1.448 64.335 63.100 -0.354 0.000 0.761 458 P CB 0.647 32.273 31.700 -0.124 0.000 0.785 459 G N 1.722 110.467 108.800 -0.091 0.000 2.232 459 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 459 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 459 G C 0.354 175.195 174.900 -0.098 0.000 0.996 459 G CA -0.112 44.949 45.100 -0.066 0.000 0.626 459 G HN 0.570 nan 8.290 nan 0.000 0.509 460 T N 2.155 116.604 114.554 -0.175 0.000 2.913 460 T HA 0.528 4.878 4.350 -0.000 0.000 0.297 460 T C 0.238 174.744 174.700 -0.324 0.000 1.029 460 T CA 0.789 62.700 62.100 -0.314 0.000 1.104 460 T CB 1.467 70.001 68.868 -0.557 0.000 0.964 460 T HN 0.212 nan 8.240 nan 0.000 0.532 461 T N 3.205 117.550 114.554 -0.348 0.000 2.758 461 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 461 T C -0.907 173.599 174.700 -0.322 0.000 0.981 461 T CA -0.335 61.642 62.100 -0.205 0.000 0.965 461 T CB 0.110 68.918 68.868 -0.100 0.000 0.927 461 T HN 0.371 nan 8.240 nan 0.000 0.448 462 Y N 1.505 121.828 120.300 0.040 0.000 2.360 462 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 462 Y C 0.645 176.503 175.900 -0.069 0.000 1.039 462 Y CA -1.000 57.104 58.100 0.007 0.000 1.109 462 Y CB 1.052 39.535 38.460 0.038 0.000 1.201 462 Y HN 0.782 nan 8.280 nan 0.000 0.458 463 A N 2.459 125.346 122.820 0.111 0.000 2.259 463 A HA 0.285 4.605 4.320 -0.000 0.000 0.278 463 A C -0.115 177.469 177.584 0.001 0.000 1.107 463 A CA -0.739 51.324 52.037 0.043 0.000 0.828 463 A CB 0.328 19.356 19.000 0.047 0.000 1.111 463 A HN 0.784 nan 8.150 nan 0.000 0.498 464 Q N -0.750 119.049 119.800 -0.003 0.000 2.361 464 Q HA 0.359 4.699 4.340 -0.000 0.000 0.276 464 Q C 1.086 177.076 176.000 -0.017 0.000 1.022 464 Q CA 1.153 56.940 55.803 -0.027 0.000 0.898 464 Q CB 0.244 28.999 28.738 0.028 0.000 1.246 464 Q HN 1.765 nan 8.270 nan 0.000 0.410 465 G N 1.968 110.741 108.800 -0.045 0.000 2.184 465 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 465 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 465 G C 0.180 175.092 174.900 0.020 0.000 0.975 465 G CA 0.152 45.248 45.100 -0.006 0.000 0.642 465 G HN 0.968 nan 8.290 nan 0.000 0.536 466 A N -0.344 122.484 122.820 0.013 0.000 2.445 466 A HA 0.682 5.002 4.320 -0.000 0.000 0.242 466 A C 0.378 178.031 177.584 0.116 0.000 1.075 466 A CA 0.385 52.474 52.037 0.086 0.000 0.777 466 A CB 0.370 19.465 19.000 0.158 0.000 1.013 466 A HN 0.965 nan 8.150 nan 0.000 0.493 467 L N 2.146 123.450 121.223 0.135 0.000 2.365 467 L HA 0.726 5.066 4.340 -0.000 0.000 0.273 467 L C -0.306 176.637 176.870 0.122 0.000 1.000 467 L CA -0.804 54.126 54.840 0.150 0.000 0.819 467 L CB 1.930 44.054 42.059 0.108 0.000 1.284 467 L HN 0.732 nan 8.230 nan 0.000 0.418 468 V N -1.113 118.874 119.914 0.121 0.000 3.188 468 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 468 V C -0.640 175.543 176.094 0.148 0.000 1.232 468 V CA -0.573 61.769 62.300 0.070 0.000 1.043 468 V CB 2.075 33.838 31.823 -0.101 0.000 1.068 468 V HN 0.629 nan 8.190 nan 0.000 0.439 469 S N 1.297 117.094 115.700 0.161 0.000 2.489 469 S HA 0.878 5.347 4.470 -0.000 0.000 0.291 469 S C -1.400 173.389 174.600 0.315 0.000 1.151 469 S CA -0.319 58.008 58.200 0.212 0.000 1.082 469 S CB 0.944 64.220 63.200 0.126 0.000 1.019 469 S HN 1.122 nan 8.310 nan 0.000 0.492 470 Y N 1.965 122.396 120.300 0.219 0.000 2.465 470 Y HA 0.181 4.731 4.550 -0.000 0.000 0.323 470 Y C -0.676 175.421 175.900 0.329 0.000 1.191 470 Y CA -0.692 57.499 58.100 0.152 0.000 1.082 470 Y CB 0.797 39.144 38.460 -0.188 0.000 1.334 470 Y HN 0.679 nan 8.280 nan 0.000 0.449 471 Q N 3.443 123.034 119.800 -0.347 0.000 2.461 471 Q HA -0.213 4.127 4.340 -0.000 0.000 0.273 471 Q C 1.015 177.053 176.000 0.064 0.000 1.163 471 Q CA 1.738 57.460 55.803 -0.135 0.000 0.929 471 Q CB -1.980 26.762 28.738 0.007 0.000 1.334 471 Q HN 1.801 nan 8.270 nan 0.000 0.499 472 G N -1.249 107.517 108.800 -0.057 0.000 2.179 472 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 472 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 472 G C -0.358 174.237 174.900 -0.507 0.000 1.010 472 G CA 0.797 45.744 45.100 -0.254 0.000 0.736 472 G HN 0.396 nan 8.290 nan 0.000 0.513 473 Y N -2.228 118.057 120.300 -0.025 0.000 2.581 473 Y HA 0.614 5.164 4.550 -0.000 0.000 0.345 473 Y C 0.198 175.990 175.900 -0.181 0.000 1.036 473 Y CA -1.146 56.824 58.100 -0.218 0.000 1.042 473 Y CB 2.073 40.220 38.460 -0.522 0.000 1.289 473 Y HN 0.095 nan 8.280 nan 0.000 0.471 474 V N 1.747 121.589 119.914 -0.121 0.000 2.427 474 V HA 0.340 4.459 4.120 -0.000 0.000 0.286 474 V C -1.241 174.762 176.094 -0.152 0.000 1.034 474 V CA -0.799 61.490 62.300 -0.017 0.000 0.893 474 V CB 0.724 32.545 31.823 -0.003 0.000 0.982 474 V HN 0.664 nan 8.190 nan 0.000 0.452 475 W N 2.721 124.027 121.300 0.010 0.000 2.781 475 W HA 0.719 5.378 4.660 -0.000 0.000 0.345 475 W C -0.167 176.461 176.519 0.182 0.000 1.085 475 W CA -0.619 56.756 57.345 0.050 0.000 1.198 475 W CB 1.340 30.753 29.460 -0.078 0.000 1.423 475 W HN 0.410 nan 8.180 nan 0.000 0.532 476 Q N 1.431 121.501 119.800 0.450 0.000 2.337 476 Q HA 0.427 4.767 4.340 -0.000 0.000 0.270 476 Q C -0.231 175.836 176.000 0.112 0.000 1.043 476 Q CA -0.559 55.402 55.803 0.263 0.000 0.794 476 Q CB 1.864 30.672 28.738 0.116 0.000 1.281 476 Q HN 0.567 nan 8.270 nan 0.000 0.446 477 T N 0.775 115.206 114.554 -0.206 0.000 2.919 477 T HA 0.232 4.582 4.350 -0.000 0.000 0.302 477 T C 0.524 175.007 174.700 -0.362 0.000 1.031 477 T CA -0.349 61.375 62.100 -0.626 0.000 1.127 477 T CB 1.008 69.342 68.868 -0.889 0.000 0.952 477 T HN 0.696 nan 8.240 nan 0.000 0.540 478 K N 1.500 121.627 120.400 -0.456 0.000 2.400 478 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 478 K C -0.123 176.523 176.600 0.076 0.000 1.033 478 K CA 0.066 56.265 56.287 -0.147 0.000 1.021 478 K CB 0.159 32.633 32.500 -0.044 0.000 0.808 478 K HN 0.854 nan 8.250 nan 0.000 0.505 479 W N -1.680 119.538 121.300 -0.138 0.000 2.895 479 W HA 0.556 5.216 4.660 0.000 0.000 0.377 479 W C -0.440 176.003 176.519 -0.127 0.000 1.191 479 W CA -1.464 55.816 57.345 -0.108 0.000 1.179 479 W CB -0.150 29.257 29.460 -0.089 0.000 1.469 479 W HN -0.166 nan 8.180 nan 0.000 0.577 480 G N -1.034 107.917 108.800 0.252 0.000 2.616 480 G HA2 0.454 4.413 3.960 -0.000 0.000 0.268 480 G HA3 0.454 4.413 3.960 -0.000 0.000 0.268 480 G C 0.149 175.125 174.900 0.127 0.000 1.213 480 G CA 0.372 45.543 45.100 0.118 0.000 0.926 480 G HN 2.399 nan 8.290 nan 0.000 0.523 481 Y N -1.175 119.157 120.300 0.053 0.000 3.125 481 Y HA -0.154 4.396 4.550 -0.000 0.000 0.200 481 Y C 0.144 176.062 175.900 0.029 0.000 1.373 481 Y CA -0.176 57.952 58.100 0.046 0.000 1.180 481 Y CB -2.690 35.810 38.460 0.067 0.000 1.381 481 Y HN 0.599 nan 8.280 nan 0.000 0.501 482 I N 2.814 123.364 120.570 -0.035 0.000 2.312 482 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 482 I C 1.220 177.408 176.117 0.117 0.000 1.031 482 I CA 0.243 61.489 61.300 -0.090 0.000 1.293 482 I CB 0.825 38.548 38.000 -0.460 0.000 1.403 482 I HN 0.719 nan 8.210 nan 0.000 0.484 483 T N 0.326 114.955 114.554 0.124 0.000 3.040 483 T HA 0.232 4.582 4.350 -0.000 0.000 0.266 483 T C 0.722 175.555 174.700 0.223 0.000 1.005 483 T CA -0.285 61.918 62.100 0.173 0.000 0.906 483 T CB 0.152 69.075 68.868 0.092 0.000 1.082 483 T HN 0.360 nan 8.240 nan 0.000 0.531 484 S N 1.608 117.442 115.700 0.223 0.000 2.693 484 S HA 0.783 5.253 4.470 -0.000 0.000 0.276 484 S C 0.308 175.010 174.600 0.170 0.000 1.192 484 S CA -0.820 57.484 58.200 0.174 0.000 0.994 484 S CB 1.159 64.428 63.200 0.115 0.000 1.012 484 S HN 0.679 nan 8.310 nan 0.000 0.550 485 A N 1.669 124.348 122.820 -0.235 0.000 2.316 485 A HA 0.638 4.958 4.320 -0.000 0.000 0.284 485 A C -2.695 174.068 177.584 -1.368 0.000 1.115 485 A CA -1.946 49.425 52.037 -1.109 0.000 0.812 485 A CB -0.483 17.946 19.000 -0.952 0.000 1.064 485 A HN 0.482 nan 8.150 nan 0.000 0.489 486 P HA 0.157 nan 4.420 nan 0.000 0.263 486 P C 1.192 177.535 177.300 -1.594 0.000 1.175 486 P CA 2.196 63.789 63.100 -2.511 0.000 0.761 486 P CB 0.561 30.440 31.700 -3.035 0.000 0.794 487 G N 2.696 110.815 108.800 -1.134 0.000 2.435 487 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.245 487 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.245 487 G C 1.258 176.011 174.900 -0.245 0.000 1.073 487 G CA 0.625 45.407 45.100 -0.529 0.000 0.638 487 G HN 0.620 nan 8.290 nan 0.000 0.521 488 S N 1.004 116.509 115.700 -0.324 0.000 2.803 488 S HA 0.382 4.852 4.470 -0.000 0.000 0.228 488 S C 0.059 174.615 174.600 -0.072 0.000 0.953 488 S CA 1.004 59.103 58.200 -0.168 0.000 0.983 488 S CB -0.278 62.794 63.200 -0.214 0.000 0.784 488 S HN 0.828 nan 8.310 nan 0.000 0.498 489 D N -0.458 119.928 120.400 -0.024 0.000 2.706 489 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 489 D C 0.428 176.757 176.300 0.048 0.000 1.145 489 D CA 0.119 54.143 54.000 0.040 0.000 0.746 489 D CB 0.686 41.520 40.800 0.058 0.000 2.093 489 D HN 0.131 nan 8.370 nan 0.000 0.473 490 S N 1.693 117.431 115.700 0.063 0.000 2.584 490 S HA -0.016 4.454 4.470 -0.000 0.000 0.240 490 S C 1.570 176.109 174.600 -0.101 0.000 0.975 490 S CA 1.064 59.310 58.200 0.077 0.000 0.949 490 S CB -0.123 63.185 63.200 0.181 0.000 0.761 490 S HN 0.518 nan 8.310 nan 0.000 0.536 491 A N 0.045 122.634 122.820 -0.384 0.000 2.072 491 A HA 0.293 4.613 4.320 -0.000 0.000 0.216 491 A C 0.370 177.486 177.584 -0.780 0.000 1.156 491 A CA -0.249 51.124 52.037 -1.106 0.000 0.701 491 A CB -0.360 17.819 19.000 -1.368 0.000 0.816 491 A HN 0.686 nan 8.150 nan 0.000 0.458 492 W N -0.772 120.329 121.300 -0.332 0.000 2.365 492 W HA 0.558 5.218 4.660 -0.000 0.000 0.316 492 W C -0.430 176.118 176.519 0.048 0.000 1.164 492 W CA -0.749 56.500 57.345 -0.161 0.000 1.204 492 W CB 1.048 30.370 29.460 -0.230 0.000 1.213 492 W HN 0.076 nan 8.180 nan 0.000 0.539 493 L N 4.517 125.945 121.223 0.342 0.000 2.298 493 L HA 0.380 4.720 4.340 -0.000 0.000 0.284 493 L C 0.016 176.988 176.870 0.169 0.000 1.013 493 L CA -1.183 53.786 54.840 0.215 0.000 0.824 493 L CB 0.853 42.964 42.059 0.086 0.000 1.221 493 L HN 0.299 nan 8.230 nan 0.000 0.418 494 K N 3.962 124.317 120.400 -0.074 0.000 2.382 494 K HA 0.192 4.512 4.320 -0.000 0.000 0.286 494 K C 0.585 176.959 176.600 -0.375 0.000 1.062 494 K CA 0.363 56.251 56.287 -0.664 0.000 1.000 494 K CB 0.552 32.374 32.500 -1.130 0.000 0.954 494 K HN 0.708 nan 8.250 nan 0.000 0.470 495 V N 0.821 120.570 119.914 -0.274 0.000 3.604 495 V HA 0.417 4.537 4.120 -0.000 0.000 0.277 495 V C 0.507 176.516 176.094 -0.141 0.000 1.399 495 V CA 0.327 62.530 62.300 -0.162 0.000 1.034 495 V CB 0.566 32.347 31.823 -0.070 0.000 0.824 495 V HN 0.675 nan 8.190 nan 0.000 0.439 496 G N 0.882 109.586 108.800 -0.159 0.000 2.682 496 G HA2 0.702 4.662 3.960 -0.000 0.000 0.290 496 G HA3 0.702 4.662 3.960 -0.000 0.000 0.290 496 G C -1.245 173.612 174.900 -0.072 0.000 1.425 496 G CA -0.951 44.091 45.100 -0.097 0.000 0.807 496 G HN 0.584 nan 8.290 nan 0.000 0.482 497 R N -0.872 119.579 120.500 -0.082 0.000 2.892 497 R HA 0.872 5.212 4.340 -0.000 0.000 0.265 497 R C -0.339 175.851 176.300 -0.184 0.000 1.025 497 R CA -0.645 55.352 56.100 -0.171 0.000 0.982 497 R CB 1.583 31.782 30.300 -0.168 0.000 1.185 497 R HN 1.115 nan 8.270 nan 0.000 0.484 498 V N 0.000 119.749 119.914 -0.275 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.187 62.300 -0.188 0.000 1.235 498 V CB 0.000 31.747 31.823 -0.127 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556