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 1i2d_1_B DATA FIRST_RESID 2 DATA SEQUENCE ANAPHGGVLK DLLARDAPRQ AELAAEAESL PAVTLTERQL CDLELIMNGG DATA SEQUENCE FSPLEGFMNQ ADYDRVCEDN RLADGNVFSM PITLDASQEV IDEKKLQAGS DATA SEQUENCE RITLRDFRDD RNLAILTIDD IYRPDKTKEA KLVFGGDPEH PAIVYLNNTV DATA SEQUENCE KEFYIGGKIE AVNKLNHYDY VALRYTPAEL RVHFDKLGWS RVVAFQTRNP DATA SEQUENCE MHRAHRELTV RAARSRQANV LIHPVVGLTK PGDIDHFTRV RAYQALLPRY DATA SEQUENCE PNGMAVLGLL GLAMRMGGPR EAIWHAIIRK NHGATHFIVG RDHAGPGSNS DATA SEQUENCE KGEDFYGPYD AQHAVEKYKD ELGIEVVEFQ MVTYLPDTDE YRPVDQVPAG DATA SEQUENCE VKTLNISGTE LRRRLRSGAH IPEWFSYPEV VKILRESNPP RATQGFTIFL DATA SEQUENCE TGYMNSGKDA IARALQVTLN QQGGRSVSLL LGDTVRHELS SELGFTREDR DATA SEQUENCE HTNIQRIAFV ATELTRAGAA VIAAPIAPYE ESRKFARDAV SQAGSFFLVH DATA SEQUENCE VATPLEHCEQ SDKRGIYAAA RRGEIKGFTG VDDPYETPEK ADLVVDFSKQ DATA SEQUENCE SVRSIVHEII LVLESQGFLE RQ 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.643 177.584 0.098 0.000 1.274 2 A CA 0.000 52.139 52.037 0.170 0.000 0.836 2 A CB 0.000 19.127 19.000 0.212 0.000 0.831 3 N N -1.292 117.467 118.700 0.098 0.000 2.591 3 N HA 0.590 5.330 4.740 -0.000 0.000 0.263 3 N C -0.580 174.968 175.510 0.064 0.000 1.308 3 N CA -0.158 52.931 53.050 0.065 0.000 0.837 3 N CB 1.801 40.322 38.487 0.056 0.000 1.548 3 N HN 1.393 nan 8.380 nan 0.000 0.493 4 A N 1.953 124.804 122.820 0.051 0.000 2.388 4 A HA 0.480 4.800 4.320 -0.000 0.000 0.257 4 A C -2.346 175.277 177.584 0.064 0.000 1.095 4 A CA -0.963 51.104 52.037 0.049 0.000 0.791 4 A CB -0.101 18.922 19.000 0.038 0.000 1.029 4 A HN 0.488 nan 8.150 nan 0.000 0.489 5 P HA -0.009 nan 4.420 nan 0.000 0.269 5 P C -0.416 176.965 177.300 0.135 0.000 1.211 5 P CA 0.419 63.569 63.100 0.083 0.000 0.781 5 P CB 0.231 31.965 31.700 0.057 0.000 0.877 6 H N 0.774 119.874 119.070 0.050 0.000 2.767 6 H HA 0.394 4.950 4.556 -0.000 0.000 0.316 6 H C 1.459 176.824 175.328 0.062 0.000 1.059 6 H CA 1.472 57.557 56.048 0.062 0.000 1.461 6 H CB -0.502 29.315 29.762 0.092 0.000 1.475 6 H HN 0.683 nan 8.280 nan 0.000 0.531 7 G N 2.664 111.341 108.800 -0.205 0.000 2.175 7 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 7 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 7 G C 1.226 176.092 174.900 -0.057 0.000 0.982 7 G CA 0.724 45.724 45.100 -0.167 0.000 0.641 7 G HN 1.766 nan 8.290 nan 0.000 0.527 8 G N -2.401 106.389 108.800 -0.016 0.000 2.320 8 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.242 8 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.242 8 G C 0.400 175.305 174.900 0.008 0.000 1.033 8 G CA 0.819 45.919 45.100 -0.001 0.000 0.620 8 G HN 1.758 nan 8.290 nan 0.000 0.517 9 V N 1.594 121.514 119.914 0.010 0.000 2.487 9 V HA 0.668 4.788 4.120 -0.000 0.000 0.298 9 V C 0.100 176.206 176.094 0.020 0.000 1.028 9 V CA -0.695 61.611 62.300 0.011 0.000 0.860 9 V CB 1.736 33.561 31.823 0.003 0.000 0.991 9 V HN 0.580 nan 8.190 nan 0.000 0.427 10 L N 5.264 126.496 121.223 0.014 0.000 2.369 10 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 10 L C 0.790 177.661 176.870 0.002 0.000 1.108 10 L CA 0.096 54.941 54.840 0.009 0.000 0.852 10 L CB 0.450 42.503 42.059 -0.010 0.000 1.169 10 L HN 0.475 nan 8.230 nan 0.000 0.452 11 K N 2.930 123.337 120.400 0.011 0.000 3.358 11 K HA 0.044 4.364 4.320 -0.000 0.000 0.297 11 K C -0.187 176.405 176.600 -0.014 0.000 1.064 11 K CA 0.145 56.434 56.287 0.003 0.000 1.144 11 K CB -1.044 31.467 32.500 0.019 0.000 1.289 11 K HN 0.510 nan 8.250 nan 0.000 0.372 12 D N 1.282 121.668 120.400 -0.023 0.000 2.598 12 D HA -0.052 4.588 4.640 -0.000 0.000 0.231 12 D C 0.945 177.229 176.300 -0.027 0.000 1.127 12 D CA 0.120 54.099 54.000 -0.034 0.000 1.126 12 D CB -0.032 40.746 40.800 -0.036 0.000 1.124 12 D HN 0.225 nan 8.370 nan 0.000 0.485 13 L N 1.361 122.567 121.223 -0.027 0.000 2.089 13 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 13 L C 2.325 179.181 176.870 -0.023 0.000 1.079 13 L CA 0.942 55.769 54.840 -0.022 0.000 0.758 13 L CB -0.441 41.604 42.059 -0.024 0.000 0.891 13 L HN 0.397 nan 8.230 nan 0.000 0.433 14 L N -0.241 120.965 121.223 -0.029 0.000 2.083 14 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 14 L C 2.865 179.720 176.870 -0.025 0.000 1.083 14 L CA 1.178 56.001 54.840 -0.028 0.000 0.752 14 L CB -0.587 41.450 42.059 -0.036 0.000 0.899 14 L HN 0.239 nan 8.230 nan 0.000 0.433 15 A N -0.328 122.477 122.820 -0.026 0.000 1.929 15 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 15 A C 2.415 179.989 177.584 -0.017 0.000 1.176 15 A CA 1.247 53.271 52.037 -0.022 0.000 0.628 15 A CB -0.462 18.525 19.000 -0.022 0.000 0.816 15 A HN 0.311 nan 8.150 nan 0.000 0.444 16 R N 0.056 120.547 120.500 -0.016 0.000 2.080 16 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 16 R C 0.362 176.656 176.300 -0.010 0.000 1.137 16 R CA 1.932 58.025 56.100 -0.012 0.000 0.943 16 R CB -0.276 30.018 30.300 -0.011 0.000 0.846 16 R HN 0.385 nan 8.270 nan 0.000 0.431 17 D N 0.040 120.434 120.400 -0.010 0.000 2.319 17 D HA 0.073 4.713 4.640 -0.000 0.000 0.230 17 D C 1.108 177.402 176.300 -0.010 0.000 1.094 17 D CA 0.509 54.504 54.000 -0.008 0.000 0.856 17 D CB 0.537 41.333 40.800 -0.006 0.000 0.915 17 D HN 0.342 nan 8.370 nan 0.000 0.517 18 A N 1.607 124.420 122.820 -0.012 0.000 1.972 18 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 18 A C -0.094 177.484 177.584 -0.011 0.000 1.169 18 A CA 0.989 53.018 52.037 -0.014 0.000 0.635 18 A CB -1.145 17.845 19.000 -0.016 0.000 0.810 18 A HN 0.202 nan 8.150 nan 0.000 0.446 19 P HA -0.039 nan 4.420 nan 0.000 0.222 19 P C 1.012 178.309 177.300 -0.006 0.000 1.153 19 P CA 0.727 63.822 63.100 -0.008 0.000 0.798 19 P CB 0.062 31.758 31.700 -0.007 0.000 0.796 20 R N -0.722 119.775 120.500 -0.006 0.000 2.426 20 R HA 0.115 4.455 4.340 -0.000 0.000 0.263 20 R C 1.824 178.121 176.300 -0.005 0.000 0.961 20 R CA -0.123 55.975 56.100 -0.004 0.000 1.086 20 R CB -0.173 30.126 30.300 -0.003 0.000 1.186 20 R HN 0.196 nan 8.270 nan 0.000 0.537 21 Q N 1.636 121.432 119.800 -0.007 0.000 1.985 21 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 21 Q C 1.934 177.930 176.000 -0.006 0.000 0.996 21 Q CA 2.457 58.255 55.803 -0.008 0.000 0.851 21 Q CB -0.205 28.527 28.738 -0.011 0.000 0.921 21 Q HN 0.364 nan 8.270 nan 0.000 0.418 22 A N 0.768 123.584 122.820 -0.006 0.000 1.903 22 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 22 A C 1.964 179.546 177.584 -0.003 0.000 1.191 22 A CA 2.187 54.221 52.037 -0.005 0.000 0.638 22 A CB -0.688 18.309 19.000 -0.005 0.000 0.823 22 A HN 0.605 nan 8.150 nan 0.000 0.451 23 E N -0.256 119.942 120.200 -0.002 0.000 2.047 23 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 23 E C 1.972 178.573 176.600 0.001 0.000 0.987 23 E CA 1.225 57.625 56.400 -0.001 0.000 0.799 23 E CB -0.326 29.374 29.700 -0.000 0.000 0.752 23 E HN 0.604 nan 8.360 nan 0.000 0.449 24 L N 0.753 121.977 121.223 0.001 0.000 2.083 24 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 24 L C 2.525 179.397 176.870 0.003 0.000 1.083 24 L CA 0.950 55.791 54.840 0.003 0.000 0.752 24 L CB -0.456 41.605 42.059 0.002 0.000 0.899 24 L HN 0.173 nan 8.230 nan 0.000 0.433 25 A N 0.079 122.899 122.820 0.000 0.000 1.865 25 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 25 A C 2.554 180.139 177.584 0.002 0.000 1.191 25 A CA 1.925 53.962 52.037 0.000 0.000 0.623 25 A CB -0.930 18.068 19.000 -0.003 0.000 0.826 25 A HN 0.393 nan 8.150 nan 0.000 0.444 26 A N -0.399 122.421 122.820 0.001 0.000 1.873 26 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 26 A C 2.079 179.665 177.584 0.003 0.000 1.193 26 A CA 2.065 54.103 52.037 0.001 0.000 0.629 26 A CB -0.735 18.265 19.000 0.001 0.000 0.826 26 A HN 0.697 nan 8.150 nan 0.000 0.447 27 E N -0.242 119.960 120.200 0.004 0.000 2.153 27 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 27 E C 2.001 178.606 176.600 0.008 0.000 0.988 27 E CA 0.950 57.353 56.400 0.006 0.000 0.811 27 E CB -0.243 29.461 29.700 0.007 0.000 0.746 27 E HN 0.557 nan 8.360 nan 0.000 0.466 28 A N 1.199 124.024 122.820 0.008 0.000 2.015 28 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 28 A C 1.849 179.439 177.584 0.010 0.000 1.163 28 A CA 1.072 53.115 52.037 0.011 0.000 0.646 28 A CB -0.271 18.736 19.000 0.011 0.000 0.806 28 A HN 0.222 nan 8.150 nan 0.000 0.448 29 E N 0.484 120.688 120.200 0.007 0.000 2.338 29 E HA -0.081 4.269 4.350 -0.000 0.000 0.197 29 E C 1.712 178.316 176.600 0.006 0.000 1.007 29 E CA 1.284 57.688 56.400 0.006 0.000 0.849 29 E CB -0.193 29.509 29.700 0.004 0.000 0.774 29 E HN 0.638 nan 8.360 nan 0.000 0.506 30 S N 0.155 115.859 115.700 0.007 0.000 2.492 30 S HA 0.138 4.608 4.470 -0.000 0.000 0.218 30 S C 1.128 175.732 174.600 0.007 0.000 1.016 30 S CA -0.123 58.080 58.200 0.006 0.000 0.916 30 S CB 0.301 63.504 63.200 0.005 0.000 0.791 30 S HN 0.060 nan 8.310 nan 0.000 0.513 31 L N 2.683 123.911 121.223 0.009 0.000 2.439 31 L HA 0.424 4.764 4.340 -0.000 0.000 0.259 31 L C -2.349 174.527 176.870 0.010 0.000 1.129 31 L CA -2.384 52.462 54.840 0.010 0.000 0.803 31 L CB -0.418 41.649 42.059 0.013 0.000 1.161 31 L HN -0.084 nan 8.230 nan 0.000 0.462 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.988 176.319 177.300 0.012 0.000 1.220 32 P CA -0.146 62.959 63.100 0.008 0.000 0.768 32 P CB 1.053 32.755 31.700 0.004 0.000 0.848 33 A N 3.649 126.477 122.820 0.014 0.000 2.312 33 A HA 0.560 4.880 4.320 -0.000 0.000 0.328 33 A C -0.476 177.120 177.584 0.020 0.000 1.158 33 A CA -0.668 51.382 52.037 0.020 0.000 0.821 33 A CB 1.071 20.085 19.000 0.023 0.000 1.170 33 A HN 0.400 nan 8.150 nan 0.000 0.490 34 V N 1.512 121.440 119.914 0.024 0.000 2.495 34 V HA 0.434 4.553 4.120 -0.000 0.000 0.298 34 V C 0.157 176.273 176.094 0.037 0.000 1.031 34 V CA -0.289 62.023 62.300 0.020 0.000 0.871 34 V CB 2.080 33.906 31.823 0.005 0.000 0.988 34 V HN 0.969 nan 8.190 nan 0.000 0.432 35 T N 6.787 121.368 114.554 0.045 0.000 2.743 35 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 35 T C -0.032 174.723 174.700 0.092 0.000 0.945 35 T CA -0.146 62.004 62.100 0.083 0.000 1.030 35 T CB 0.343 69.270 68.868 0.099 0.000 0.912 35 T HN 0.338 nan 8.240 nan 0.000 0.483 36 L N 3.677 124.982 121.223 0.137 0.000 2.417 36 L HA 0.321 4.661 4.340 -0.000 0.000 0.268 36 L C 1.591 178.581 176.870 0.199 0.000 1.158 36 L CA -0.707 54.222 54.840 0.147 0.000 0.819 36 L CB 0.510 42.672 42.059 0.172 0.000 1.112 36 L HN 0.702 nan 8.230 nan 0.000 0.458 37 T N -1.604 113.018 114.554 0.112 0.000 2.788 37 T HA 0.082 4.432 4.350 -0.000 0.000 0.280 37 T C 0.804 175.609 174.700 0.175 0.000 0.984 37 T CA -0.904 61.224 62.100 0.047 0.000 0.972 37 T CB 0.539 69.444 68.868 0.063 0.000 1.039 37 T HN 0.077 nan 8.240 nan 0.000 0.530 38 E N 0.226 120.505 120.200 0.133 0.000 2.110 38 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 38 E C 2.347 179.073 176.600 0.209 0.000 0.988 38 E CA 0.541 57.104 56.400 0.272 0.000 0.804 38 E CB 0.114 29.939 29.700 0.209 0.000 0.745 38 E HN 0.251 nan 8.360 nan 0.000 0.458 39 R N 0.340 120.941 120.500 0.168 0.000 2.092 39 R HA -0.143 4.196 4.340 -0.000 0.000 0.231 39 R C 2.248 178.679 176.300 0.218 0.000 1.119 39 R CA 1.171 57.361 56.100 0.150 0.000 0.970 39 R CB -0.008 30.349 30.300 0.095 0.000 0.864 39 R HN 0.268 nan 8.270 nan 0.000 0.440 40 Q N 0.176 120.111 119.800 0.224 0.000 2.167 40 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 40 Q C 2.156 178.343 176.000 0.311 0.000 0.970 40 Q CA 0.959 56.920 55.803 0.263 0.000 0.855 40 Q CB 0.037 28.839 28.738 0.106 0.000 0.911 40 Q HN 0.358 nan 8.270 nan 0.000 0.438 41 L N -0.144 121.230 121.223 0.250 0.000 2.291 41 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 41 L C 1.527 178.500 176.870 0.172 0.000 1.120 41 L CA 0.396 55.365 54.840 0.214 0.000 0.799 41 L CB -0.004 42.186 42.059 0.217 0.000 0.925 41 L HN 0.585 nan 8.230 nan 0.000 0.446 42 C N -0.074 119.333 119.300 0.178 0.000 2.500 42 C HA -0.126 4.334 4.460 -0.000 0.000 0.279 42 C C 2.249 177.300 174.990 0.102 0.000 1.288 42 C CA 0.804 59.895 59.018 0.120 0.000 1.710 42 C CB -0.572 27.242 27.740 0.125 0.000 2.052 42 C HN 0.384 nan 8.230 nan 0.000 0.488 43 D N 0.719 121.261 120.400 0.237 0.000 2.097 43 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 43 D C 1.933 178.269 176.300 0.059 0.000 0.989 43 D CA 0.842 55.017 54.000 0.291 0.000 0.827 43 D CB -0.433 40.686 40.800 0.532 0.000 0.966 43 D HN 0.144 nan 8.370 nan 0.000 0.456 44 L N 1.089 122.417 121.223 0.174 0.000 2.131 44 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 44 L C 2.020 178.865 176.870 -0.042 0.000 1.092 44 L CA 1.697 56.578 54.840 0.068 0.000 0.759 44 L CB -0.338 41.859 42.059 0.229 0.000 0.903 44 L HN -0.009 nan 8.230 nan 0.000 0.435 45 E N -0.658 119.520 120.200 -0.036 0.000 2.072 45 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 45 E C 2.192 178.692 176.600 -0.168 0.000 0.985 45 E CA 1.247 57.605 56.400 -0.071 0.000 0.801 45 E CB -0.140 29.550 29.700 -0.017 0.000 0.750 45 E HN 0.592 nan 8.360 nan 0.000 0.452 46 L N 0.462 121.485 121.223 -0.334 0.000 2.240 46 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 46 L C 2.270 178.818 176.870 -0.536 0.000 1.106 46 L CA 0.333 54.817 54.840 -0.594 0.000 0.793 46 L CB -0.120 41.188 42.059 -1.252 0.000 0.927 46 L HN 0.219 nan 8.230 nan 0.000 0.446 47 I N -0.379 119.957 120.570 -0.389 0.000 2.094 47 I HA -0.321 3.849 4.170 -0.000 0.000 0.234 47 I C 2.480 178.526 176.117 -0.119 0.000 1.063 47 I CA 1.484 62.685 61.300 -0.163 0.000 1.328 47 I CB -0.225 37.658 38.000 -0.195 0.000 1.058 47 I HN 0.158 nan 8.210 nan 0.000 0.400 48 M N 1.148 120.681 119.600 -0.111 0.000 2.331 48 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 48 M C 1.353 177.610 176.300 -0.071 0.000 1.072 48 M CA 1.750 57.007 55.300 -0.073 0.000 1.065 48 M CB -0.848 31.720 32.600 -0.054 0.000 1.392 48 M HN 0.460 nan 8.290 nan 0.000 0.427 49 N N -0.610 118.033 118.700 -0.095 0.000 2.236 49 N HA 0.149 4.889 4.740 -0.000 0.000 0.196 49 N C 1.028 176.477 175.510 -0.102 0.000 1.114 49 N CA 0.886 53.883 53.050 -0.089 0.000 0.859 49 N CB 0.338 38.775 38.487 -0.083 0.000 0.982 49 N HN 0.384 nan 8.380 nan 0.000 0.493 50 G N -1.117 107.632 108.800 -0.086 0.000 2.195 50 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 50 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 50 G C 1.086 175.962 174.900 -0.040 0.000 0.990 50 G CA 0.184 45.253 45.100 -0.053 0.000 0.639 50 G HN 0.635 nan 8.290 nan 0.000 0.514 51 G N 0.035 108.768 108.800 -0.111 0.000 2.485 51 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.221 51 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.221 51 G C 1.289 176.394 174.900 0.341 0.000 1.115 51 G CA 1.258 46.337 45.100 -0.036 0.000 0.751 51 G HN 0.609 nan 8.290 nan 0.000 0.567 52 F N 0.978 121.016 119.950 0.146 0.000 2.664 52 F HA 0.232 4.759 4.527 -0.000 0.000 0.303 52 F C 1.029 177.010 175.800 0.302 0.000 1.092 52 F CA -0.940 57.254 58.000 0.323 0.000 1.305 52 F CB 0.425 39.627 39.000 0.337 0.000 1.054 52 F HN -0.091 nan 8.300 nan 0.000 0.565 53 S N 3.144 119.048 115.700 0.340 0.000 2.593 53 S HA -0.093 4.377 4.470 -0.000 0.000 0.303 53 S C -1.040 173.768 174.600 0.347 0.000 1.267 53 S CA -0.597 57.742 58.200 0.232 0.000 1.047 53 S CB 0.478 63.771 63.200 0.156 0.000 0.777 53 S HN 0.203 nan 8.310 nan 0.000 0.498 54 P HA -0.003 nan 4.420 nan 0.000 0.225 54 P C 0.554 177.861 177.300 0.012 0.000 1.156 54 P CA 0.123 63.270 63.100 0.078 0.000 0.787 54 P CB 0.054 31.767 31.700 0.022 0.000 0.802 55 L N 2.113 123.300 121.223 -0.060 0.000 2.640 55 L HA -0.128 4.212 4.340 -0.000 0.000 0.300 55 L C 1.004 177.855 176.870 -0.031 0.000 1.259 55 L CA 1.305 56.058 54.840 -0.144 0.000 0.879 55 L CB -0.426 41.457 42.059 -0.293 0.000 1.125 55 L HN 0.200 nan 8.230 nan 0.000 0.507 56 E N 2.655 122.824 120.200 -0.053 0.000 3.293 56 E HA 0.534 4.884 4.350 -0.000 0.000 0.174 56 E C -0.109 176.461 176.600 -0.049 0.000 0.958 56 E CA 0.010 56.389 56.400 -0.035 0.000 1.352 56 E CB 0.033 29.721 29.700 -0.020 0.000 1.066 56 E HN 0.784 nan 8.360 nan 0.000 0.448 57 G N 0.303 109.050 108.800 -0.088 0.000 2.328 57 G HA2 0.310 4.270 3.960 -0.000 0.000 0.295 57 G HA3 0.310 4.270 3.960 -0.000 0.000 0.295 57 G C -1.520 173.288 174.900 -0.154 0.000 1.413 57 G CA -1.128 43.916 45.100 -0.092 0.000 0.817 57 G HN 0.049 nan 8.290 nan 0.000 0.546 58 F N 1.103 121.098 119.950 0.074 0.000 2.484 58 F HA 0.426 4.953 4.527 -0.000 0.000 0.360 58 F C 1.643 177.489 175.800 0.077 0.000 1.101 58 F CA 0.004 58.050 58.000 0.077 0.000 1.251 58 F CB 0.955 39.996 39.000 0.068 0.000 1.132 58 F HN 0.153 nan 8.300 nan 0.000 0.570 59 M N 3.909 123.638 119.600 0.215 0.000 2.260 59 M HA -0.037 4.443 4.480 -0.000 0.000 0.348 59 M C 0.026 176.520 176.300 0.325 0.000 1.342 59 M CA 0.158 55.576 55.300 0.197 0.000 1.040 59 M CB 0.150 32.859 32.600 0.181 0.000 1.810 59 M HN 0.609 nan 8.290 nan 0.000 0.453 60 N N 1.840 120.681 118.700 0.235 0.000 2.476 60 N HA 0.096 4.836 4.740 -0.000 0.000 0.275 60 N C 0.186 175.726 175.510 0.051 0.000 1.190 60 N CA -0.683 52.504 53.050 0.228 0.000 0.977 60 N CB 0.515 39.062 38.487 0.100 0.000 1.200 60 N HN 0.663 nan 8.380 nan 0.000 0.515 61 Q N -0.386 119.117 119.800 -0.495 0.000 2.248 61 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 61 Q C 1.508 177.388 176.000 -0.201 0.000 0.984 61 Q CA 1.806 57.151 55.803 -0.764 0.000 0.875 61 Q CB -0.279 27.713 28.738 -1.243 0.000 0.910 61 Q HN 0.797 nan 8.270 nan 0.000 0.433 62 A N 0.840 123.590 122.820 -0.117 0.000 1.855 62 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 62 A C 1.739 179.324 177.584 0.001 0.000 1.191 62 A CA 1.659 53.668 52.037 -0.047 0.000 0.613 62 A CB -0.569 18.408 19.000 -0.039 0.000 0.829 62 A HN 0.368 nan 8.150 nan 0.000 0.442 63 D N -1.599 118.809 120.400 0.013 0.000 2.084 63 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 63 D C 1.729 178.059 176.300 0.049 0.000 0.990 63 D CA 1.684 55.689 54.000 0.007 0.000 0.826 63 D CB -0.519 40.273 40.800 -0.014 0.000 0.971 63 D HN 0.579 nan 8.370 nan 0.000 0.453 64 Y N 2.040 122.339 120.300 -0.000 0.000 2.030 64 Y HA -0.283 4.267 4.550 -0.000 0.000 0.274 64 Y C 1.987 177.909 175.900 0.037 0.000 1.153 64 Y CA 2.132 60.270 58.100 0.063 0.000 1.115 64 Y CB -0.147 38.445 38.460 0.220 0.000 0.969 64 Y HN -0.114 nan 8.280 nan 0.000 0.488 65 D N -0.091 120.538 120.400 0.381 0.000 2.133 65 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 65 D C 2.176 178.502 176.300 0.044 0.000 0.997 65 D CA 1.656 55.791 54.000 0.225 0.000 0.840 65 D CB -0.438 40.452 40.800 0.150 0.000 0.947 65 D HN 0.275 nan 8.370 nan 0.000 0.452 66 R N 0.372 120.882 120.500 0.017 0.000 2.237 66 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 66 R C 1.735 178.010 176.300 -0.043 0.000 1.080 66 R CA 0.565 56.661 56.100 -0.007 0.000 0.995 66 R CB 0.014 30.313 30.300 -0.003 0.000 0.875 66 R HN 0.052 nan 8.270 nan 0.000 0.462 67 V N -1.371 118.482 119.914 -0.102 0.000 2.521 67 V HA -0.157 3.963 4.120 -0.000 0.000 0.239 67 V C 2.312 178.274 176.094 -0.220 0.000 1.053 67 V CA 1.096 63.302 62.300 -0.157 0.000 1.073 67 V CB -0.563 31.145 31.823 -0.191 0.000 0.746 67 V HN 0.608 nan 8.190 nan 0.000 0.476 68 C N 2.035 121.136 119.300 -0.332 0.000 2.399 68 C HA -0.247 4.213 4.460 -0.000 0.000 0.282 68 C C 2.295 177.206 174.990 -0.132 0.000 1.227 68 C CA 2.434 61.288 59.018 -0.273 0.000 1.827 68 C CB -1.021 26.649 27.740 -0.116 0.000 2.068 68 C HN 0.846 nan 8.230 nan 0.000 0.500 69 E N -1.875 118.276 120.200 -0.082 0.000 2.633 69 E HA 0.196 4.546 4.350 -0.000 0.000 0.222 69 E C 1.003 177.592 176.600 -0.019 0.000 0.899 69 E CA 0.939 57.316 56.400 -0.039 0.000 1.292 69 E CB -0.493 29.203 29.700 -0.006 0.000 1.257 69 E HN 0.580 nan 8.360 nan 0.000 0.626 70 D N 1.204 121.593 120.400 -0.019 0.000 2.503 70 D HA 0.110 4.750 4.640 -0.000 0.000 0.218 70 D C 0.501 176.815 176.300 0.025 0.000 1.183 70 D CA -0.056 53.954 54.000 0.016 0.000 0.827 70 D CB -0.365 40.450 40.800 0.025 0.000 1.034 70 D HN 0.061 nan 8.370 nan 0.000 0.510 71 N N -0.013 118.669 118.700 -0.031 0.000 2.708 71 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 71 N C -0.348 175.144 175.510 -0.030 0.000 1.097 71 N CA 1.038 54.045 53.050 -0.071 0.000 0.710 71 N CB -0.802 37.624 38.487 -0.102 0.000 1.032 71 N HN 0.667 nan 8.380 nan 0.000 0.551 72 R N -0.617 119.888 120.500 0.010 0.000 2.740 72 R HA 0.565 4.904 4.340 -0.000 0.000 0.273 72 R C -0.138 176.177 176.300 0.024 0.000 0.998 72 R CA -0.723 55.403 56.100 0.044 0.000 0.900 72 R CB 1.557 31.889 30.300 0.054 0.000 1.223 72 R HN -0.034 nan 8.270 nan 0.000 0.466 73 L N 1.378 122.616 121.223 0.025 0.000 2.421 73 L HA 0.337 4.677 4.340 -0.000 0.000 0.263 73 L C 1.517 178.376 176.870 -0.018 0.000 1.122 73 L CA -0.127 54.695 54.840 -0.030 0.000 0.804 73 L CB 1.292 43.305 42.059 -0.076 0.000 1.150 73 L HN 0.902 nan 8.230 nan 0.000 0.457 74 A N 1.346 124.151 122.820 -0.026 0.000 1.940 74 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 74 A C 1.589 179.165 177.584 -0.014 0.000 1.190 74 A CA 2.169 54.196 52.037 -0.016 0.000 0.647 74 A CB -0.767 18.222 19.000 -0.019 0.000 0.821 74 A HN 0.967 nan 8.150 nan 0.000 0.457 75 D N -2.020 118.367 120.400 -0.022 0.000 2.390 75 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 75 D C 1.224 177.517 176.300 -0.013 0.000 1.040 75 D CA 1.309 55.297 54.000 -0.020 0.000 0.923 75 D CB -0.684 40.098 40.800 -0.030 0.000 0.886 75 D HN 0.929 nan 8.370 nan 0.000 0.532 76 G N -0.148 108.652 108.800 -0.001 0.000 2.336 76 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.233 76 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.233 76 G C 0.224 175.141 174.900 0.029 0.000 1.053 76 G CA -0.069 45.039 45.100 0.014 0.000 0.625 76 G HN 0.531 nan 8.290 nan 0.000 0.511 77 N N 0.625 119.331 118.700 0.010 0.000 2.353 77 N HA 0.345 5.084 4.740 -0.000 0.000 0.248 77 N C 0.515 176.108 175.510 0.138 0.000 1.240 77 N CA 0.483 53.545 53.050 0.020 0.000 0.862 77 N CB 1.008 39.466 38.487 -0.048 0.000 1.086 77 N HN 0.339 nan 8.380 nan 0.000 0.453 78 V N 2.476 122.519 119.914 0.217 0.000 2.637 78 V HA 0.249 4.369 4.120 -0.000 0.000 0.296 78 V C -0.227 176.020 176.094 0.257 0.000 1.046 78 V CA 0.287 62.676 62.300 0.147 0.000 1.066 78 V CB -0.369 31.446 31.823 -0.014 0.000 0.968 78 V HN 0.536 nan 8.190 nan 0.000 0.483 79 F N 2.815 122.701 119.950 -0.106 0.000 3.102 79 F HA 0.268 4.795 4.527 -0.000 0.000 0.359 79 F C 0.690 176.341 175.800 -0.248 0.000 1.243 79 F CA -0.379 57.531 58.000 -0.150 0.000 1.215 79 F CB 1.773 40.711 39.000 -0.103 0.000 1.549 79 F HN 0.456 nan 8.300 nan 0.000 0.657 80 S N 3.025 118.499 115.700 -0.378 0.000 2.605 80 S HA 0.275 4.745 4.470 -0.000 0.000 0.217 80 S C 0.028 174.375 174.600 -0.423 0.000 0.958 80 S CA -0.199 57.794 58.200 -0.344 0.000 0.919 80 S CB 0.107 63.108 63.200 -0.333 0.000 0.780 80 S HN 0.474 nan 8.310 nan 0.000 0.507 81 M N 2.974 122.238 119.600 -0.560 0.000 2.204 81 M HA 0.485 4.965 4.480 -0.000 0.000 0.293 81 M C -3.083 172.940 176.300 -0.461 0.000 0.994 81 M CA -2.428 52.449 55.300 -0.705 0.000 0.925 81 M CB 1.864 33.531 32.600 -1.556 0.000 1.577 81 M HN -0.248 nan 8.290 nan 0.000 0.439 82 P HA 0.172 nan 4.420 nan 0.000 0.271 82 P C -0.968 176.249 177.300 -0.139 0.000 1.233 82 P CA 0.022 62.969 63.100 -0.255 0.000 0.764 82 P CB 0.139 31.666 31.700 -0.289 0.000 0.825 83 I N 4.355 124.893 120.570 -0.053 0.000 2.460 83 I HA 0.207 4.377 4.170 -0.000 0.000 0.277 83 I C 0.913 177.155 176.117 0.208 0.000 1.057 83 I CA -0.192 61.157 61.300 0.082 0.000 1.179 83 I CB 0.646 38.696 38.000 0.083 0.000 1.329 83 I HN 0.320 nan 8.210 nan 0.000 0.478 84 T N 2.994 117.628 114.554 0.133 0.000 2.930 84 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 84 T C -0.651 173.999 174.700 -0.085 0.000 1.052 84 T CA -0.823 61.293 62.100 0.027 0.000 1.017 84 T CB 2.557 71.057 68.868 -0.614 0.000 1.137 84 T HN 0.205 nan 8.240 nan 0.000 0.511 85 L N 3.020 124.062 121.223 -0.303 0.000 2.283 85 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 85 L C -0.644 176.100 176.870 -0.210 0.000 1.033 85 L CA -0.495 53.998 54.840 -0.578 0.000 0.848 85 L CB 0.366 41.838 42.059 -0.980 0.000 1.226 85 L HN 0.802 nan 8.230 nan 0.000 0.429 86 D N 4.234 124.589 120.400 -0.076 0.000 2.264 86 D HA 0.645 5.285 4.640 -0.000 0.000 0.249 86 D C -0.669 175.651 176.300 0.032 0.000 1.070 86 D CA -0.397 53.663 54.000 0.099 0.000 0.912 86 D CB 2.180 43.105 40.800 0.208 0.000 1.193 86 D HN 0.635 nan 8.370 nan 0.000 0.427 87 A N 1.018 123.882 122.820 0.073 0.000 2.587 87 A HA 0.588 4.908 4.320 -0.000 0.000 0.293 87 A C -0.397 177.264 177.584 0.129 0.000 1.087 87 A CA -0.718 51.356 52.037 0.062 0.000 0.692 87 A CB 1.488 20.511 19.000 0.038 0.000 1.291 87 A HN 0.684 nan 8.150 nan 0.000 0.407 88 S N -0.016 115.743 115.700 0.097 0.000 2.687 88 S HA 0.401 4.871 4.470 -0.000 0.000 0.283 88 S C 0.865 175.567 174.600 0.170 0.000 1.170 88 S CA 0.060 58.340 58.200 0.133 0.000 1.008 88 S CB 1.448 64.678 63.200 0.050 0.000 1.026 88 S HN 0.843 nan 8.310 nan 0.000 0.541 89 Q N 0.921 120.864 119.800 0.238 0.000 2.077 89 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 89 Q C 1.607 177.625 176.000 0.030 0.000 0.989 89 Q CA 2.430 58.315 55.803 0.137 0.000 0.853 89 Q CB -0.665 28.185 28.738 0.186 0.000 0.907 89 Q HN 0.885 nan 8.270 nan 0.000 0.418 90 E N -1.027 119.194 120.200 0.035 0.000 2.118 90 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 90 E C 1.886 178.485 176.600 -0.002 0.000 0.992 90 E CA 1.512 57.917 56.400 0.009 0.000 0.804 90 E CB -0.137 29.567 29.700 0.007 0.000 0.741 90 E HN 0.277 nan 8.360 nan 0.000 0.458 91 V N 0.537 120.453 119.914 0.004 0.000 2.407 91 V HA -0.155 3.964 4.120 -0.000 0.000 0.245 91 V C 2.144 178.226 176.094 -0.020 0.000 1.041 91 V CA 1.169 63.466 62.300 -0.004 0.000 1.040 91 V CB -0.392 31.433 31.823 0.002 0.000 0.671 91 V HN 0.252 nan 8.190 nan 0.000 0.455 92 I N 0.562 121.111 120.570 -0.035 0.000 2.264 92 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 92 I C 2.239 178.315 176.117 -0.068 0.000 1.111 92 I CA 1.609 62.865 61.300 -0.074 0.000 1.382 92 I CB -0.391 37.512 38.000 -0.161 0.000 1.060 92 I HN 0.368 nan 8.210 nan 0.000 0.418 93 D N 0.416 120.782 120.400 -0.057 0.000 2.107 93 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 93 D C 2.059 178.341 176.300 -0.030 0.000 0.978 93 D CA 0.817 54.790 54.000 -0.045 0.000 0.852 93 D CB -0.536 40.242 40.800 -0.037 0.000 1.008 93 D HN 0.155 nan 8.370 nan 0.000 0.458 94 E N 0.684 120.871 120.200 -0.022 0.000 2.187 94 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 94 E C 1.413 178.004 176.600 -0.014 0.000 1.004 94 E CA 1.066 57.457 56.400 -0.015 0.000 0.813 94 E CB 0.181 29.874 29.700 -0.011 0.000 0.736 94 E HN 0.158 nan 8.360 nan 0.000 0.468 95 K N 0.071 120.461 120.400 -0.017 0.000 2.361 95 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 95 K C 0.258 176.848 176.600 -0.017 0.000 1.032 95 K CA -0.038 56.240 56.287 -0.013 0.000 1.048 95 K CB 0.465 32.959 32.500 -0.011 0.000 0.842 95 K HN 0.059 nan 8.250 nan 0.000 0.526 96 K N 1.400 121.785 120.400 -0.025 0.000 3.239 96 K HA -0.147 4.173 4.320 -0.000 0.000 0.270 96 K C -0.529 176.054 176.600 -0.029 0.000 1.049 96 K CA 0.350 56.620 56.287 -0.028 0.000 0.769 96 K CB -2.068 30.420 32.500 -0.020 0.000 1.305 96 K HN 0.189 nan 8.250 nan 0.000 0.469 97 L N 1.533 122.734 121.223 -0.038 0.000 2.349 97 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 97 L C 0.772 177.615 176.870 -0.045 0.000 1.115 97 L CA 0.098 54.917 54.840 -0.035 0.000 0.820 97 L CB 0.904 42.940 42.059 -0.038 0.000 1.135 97 L HN 0.352 nan 8.230 nan 0.000 0.445 98 Q N 2.476 122.259 119.800 -0.027 0.000 2.575 98 Q HA 0.674 5.014 4.340 -0.000 0.000 0.290 98 Q C -1.194 174.802 176.000 -0.006 0.000 0.963 98 Q CA -1.044 54.743 55.803 -0.026 0.000 0.783 98 Q CB 1.590 30.312 28.738 -0.026 0.000 1.467 98 Q HN 0.593 nan 8.270 nan 0.000 0.402 99 A N 0.263 123.083 122.820 -0.000 0.000 2.613 99 A HA 0.366 4.686 4.320 -0.000 0.000 0.230 99 A C 1.392 178.982 177.584 0.011 0.000 1.051 99 A CA 1.461 53.505 52.037 0.013 0.000 0.754 99 A CB -1.169 17.838 19.000 0.012 0.000 0.979 99 A HN 1.943 nan 8.150 nan 0.000 0.510 100 G N 1.153 109.964 108.800 0.018 0.000 2.245 100 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 100 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 100 G C 0.719 175.628 174.900 0.015 0.000 0.985 100 G CA 0.703 45.812 45.100 0.015 0.000 0.625 100 G HN 1.338 nan 8.290 nan 0.000 0.536 101 S N 0.587 116.295 115.700 0.014 0.000 2.573 101 S HA 0.485 4.955 4.470 -0.000 0.000 0.277 101 S C 0.670 175.282 174.600 0.020 0.000 1.346 101 S CA 0.062 58.270 58.200 0.012 0.000 1.034 101 S CB 0.600 63.804 63.200 0.007 0.000 0.879 101 S HN 0.488 nan 8.310 nan 0.000 0.528 102 R N 2.144 122.655 120.500 0.018 0.000 2.371 102 R HA 0.416 4.756 4.340 -0.000 0.000 0.312 102 R C -0.276 176.038 176.300 0.023 0.000 0.980 102 R CA -0.302 55.812 56.100 0.024 0.000 0.867 102 R CB 0.558 30.871 30.300 0.020 0.000 1.163 102 R HN 0.621 nan 8.270 nan 0.000 0.492 103 I N -1.351 119.238 120.570 0.031 0.000 2.577 103 I HA 0.533 4.703 4.170 -0.000 0.000 0.305 103 I C -0.196 175.943 176.117 0.036 0.000 0.986 103 I CA -0.692 60.626 61.300 0.029 0.000 1.189 103 I CB 2.126 40.142 38.000 0.027 0.000 1.355 103 I HN 0.145 nan 8.210 nan 0.000 0.476 104 T N 5.860 120.433 114.554 0.032 0.000 2.837 104 T HA 0.520 4.870 4.350 -0.000 0.000 0.285 104 T C -0.115 174.611 174.700 0.044 0.000 0.984 104 T CA -0.472 61.649 62.100 0.036 0.000 1.049 104 T CB 1.087 69.971 68.868 0.027 0.000 0.947 104 T HN 0.354 nan 8.240 nan 0.000 0.472 105 L N 3.805 125.063 121.223 0.058 0.000 2.272 105 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 105 L C 0.424 177.331 176.870 0.061 0.000 1.032 105 L CA -0.706 54.176 54.840 0.070 0.000 0.810 105 L CB 1.076 43.203 42.059 0.113 0.000 1.205 105 L HN 0.409 nan 8.230 nan 0.000 0.422 106 R N 1.871 122.408 120.500 0.061 0.000 2.514 106 R HA 0.225 4.565 4.340 -0.000 0.000 0.301 106 R C -0.694 175.648 176.300 0.069 0.000 0.962 106 R CA -0.747 55.385 56.100 0.053 0.000 0.882 106 R CB 1.575 31.904 30.300 0.049 0.000 1.143 106 R HN 0.481 nan 8.270 nan 0.000 0.452 107 D N 5.123 125.536 120.400 0.022 0.000 2.342 107 D HA -0.038 4.602 4.640 -0.000 0.000 0.260 107 D C 1.045 177.301 176.300 -0.073 0.000 1.278 107 D CA -0.198 53.773 54.000 -0.047 0.000 0.910 107 D CB 0.377 41.107 40.800 -0.116 0.000 1.079 107 D HN 0.526 nan 8.370 nan 0.000 0.496 108 F N 3.848 123.819 119.950 0.035 0.000 2.408 108 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 108 F C 1.734 177.557 175.800 0.039 0.000 1.090 108 F CA 0.507 58.528 58.000 0.035 0.000 1.427 108 F CB -0.249 38.775 39.000 0.041 0.000 1.070 108 F HN 0.179 nan 8.300 nan 0.000 0.549 109 R N 0.925 120.852 120.500 -0.954 0.000 2.057 109 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 109 R C 0.877 177.058 176.300 -0.199 0.000 1.136 109 R CA 1.641 57.391 56.100 -0.584 0.000 0.952 109 R CB -0.556 29.392 30.300 -0.587 0.000 0.848 109 R HN 0.492 nan 8.270 nan 0.000 0.430 110 D N -1.422 118.885 120.400 -0.155 0.000 2.535 110 D HA 0.065 4.705 4.640 -0.000 0.000 0.229 110 D C -0.326 175.952 176.300 -0.038 0.000 1.238 110 D CA -0.261 53.701 54.000 -0.063 0.000 0.824 110 D CB 0.284 41.070 40.800 -0.023 0.000 1.045 110 D HN -0.046 nan 8.370 nan 0.000 0.500 111 D N 0.190 120.570 120.400 -0.035 0.000 3.059 111 D HA -0.193 4.447 4.640 -0.000 0.000 0.213 111 D C -0.053 176.243 176.300 -0.006 0.000 1.144 111 D CA 0.646 54.644 54.000 -0.003 0.000 0.975 111 D CB -0.640 40.165 40.800 0.008 0.000 1.125 111 D HN 0.482 nan 8.370 nan 0.000 0.412 112 R N 0.700 121.186 120.500 -0.022 0.000 2.643 112 R HA 0.186 4.526 4.340 -0.000 0.000 0.270 112 R C 0.576 176.870 176.300 -0.009 0.000 1.061 112 R CA -0.180 55.909 56.100 -0.018 0.000 1.107 112 R CB 0.328 30.609 30.300 -0.032 0.000 0.999 112 R HN 0.022 nan 8.270 nan 0.000 0.460 113 N N 2.859 121.557 118.700 -0.003 0.000 2.406 113 N HA 0.065 4.805 4.740 -0.000 0.000 0.251 113 N C 0.759 176.270 175.510 0.003 0.000 1.069 113 N CA 0.029 53.083 53.050 0.006 0.000 0.947 113 N CB 1.188 39.680 38.487 0.008 0.000 1.111 113 N HN 0.440 nan 8.380 nan 0.000 0.497 114 L N 0.727 121.957 121.223 0.011 0.000 2.200 114 L HA 0.324 4.664 4.340 -0.000 0.000 0.200 114 L C 0.949 177.829 176.870 0.018 0.000 1.072 114 L CA 0.585 55.429 54.840 0.007 0.000 0.787 114 L CB -0.002 42.065 42.059 0.014 0.000 0.957 114 L HN 0.434 nan 8.230 nan 0.000 0.459 115 A N -0.439 122.404 122.820 0.038 0.000 2.593 115 A HA 0.732 5.052 4.320 -0.000 0.000 0.290 115 A C -1.355 176.261 177.584 0.053 0.000 1.126 115 A CA -0.454 51.610 52.037 0.045 0.000 0.695 115 A CB 1.425 20.463 19.000 0.063 0.000 1.290 115 A HN 0.022 nan 8.150 nan 0.000 0.414 116 I N 1.169 121.768 120.570 0.049 0.000 2.389 116 I HA 0.420 4.590 4.170 -0.000 0.000 0.288 116 I C -0.717 175.439 176.117 0.064 0.000 0.999 116 I CA -0.399 60.931 61.300 0.049 0.000 1.129 116 I CB 1.611 39.631 38.000 0.033 0.000 1.288 116 I HN 0.624 nan 8.210 nan 0.000 0.444 117 L N 5.791 127.062 121.223 0.080 0.000 2.325 117 L HA 0.565 4.905 4.340 -0.000 0.000 0.278 117 L C -0.426 176.488 176.870 0.074 0.000 1.023 117 L CA -0.044 54.855 54.840 0.099 0.000 0.811 117 L CB 1.770 43.919 42.059 0.149 0.000 1.249 117 L HN 0.499 nan 8.230 nan 0.000 0.431 118 T N 6.053 120.648 114.554 0.069 0.000 2.821 118 T HA 0.444 4.794 4.350 -0.000 0.000 0.307 118 T C 0.201 174.938 174.700 0.062 0.000 1.034 118 T CA -0.313 61.819 62.100 0.053 0.000 0.953 118 T CB 0.110 69.003 68.868 0.041 0.000 0.968 118 T HN 0.371 nan 8.240 nan 0.000 0.462 119 I N 3.506 124.111 120.570 0.058 0.000 2.742 119 I HA -0.039 4.131 4.170 -0.000 0.000 0.287 119 I C 0.812 176.967 176.117 0.062 0.000 1.186 119 I CA 0.100 61.440 61.300 0.066 0.000 1.417 119 I CB 0.421 38.450 38.000 0.049 0.000 1.377 119 I HN 0.595 nan 8.210 nan 0.000 0.556 120 D N 4.117 124.567 120.400 0.082 0.000 2.355 120 D HA -0.005 4.635 4.640 -0.000 0.000 0.233 120 D C 0.246 176.590 176.300 0.073 0.000 0.997 120 D CA 1.175 55.217 54.000 0.068 0.000 0.920 120 D CB 0.193 41.037 40.800 0.074 0.000 1.063 120 D HN 0.691 nan 8.370 nan 0.000 0.465 121 D N -0.994 119.478 120.400 0.121 0.000 2.732 121 D HA 0.455 5.095 4.640 -0.000 0.000 0.292 121 D C -0.617 175.803 176.300 0.199 0.000 1.135 121 D CA -0.724 53.360 54.000 0.141 0.000 1.071 121 D CB 1.512 42.394 40.800 0.138 0.000 1.457 121 D HN -0.037 nan 8.370 nan 0.000 0.547 122 I N 0.643 121.340 120.570 0.211 0.000 2.700 122 I HA 0.163 4.333 4.170 -0.000 0.000 0.272 122 I C -1.359 174.868 176.117 0.184 0.000 1.293 122 I CA -0.783 60.594 61.300 0.129 0.000 0.989 122 I CB 0.526 38.506 38.000 -0.033 0.000 1.301 122 I HN 0.397 nan 8.210 nan 0.000 0.525 123 Y N 2.107 122.453 120.300 0.075 0.000 2.488 123 Y HA 0.717 5.267 4.550 -0.000 0.000 0.325 123 Y C 0.204 176.212 175.900 0.180 0.000 1.204 123 Y CA -1.223 56.931 58.100 0.089 0.000 1.229 123 Y CB 0.837 39.297 38.460 -0.000 0.000 1.274 123 Y HN 0.364 nan 8.280 nan 0.000 0.493 124 R N 4.011 124.663 120.500 0.255 0.000 2.247 124 R HA 0.413 4.753 4.340 -0.000 0.000 0.329 124 R C -2.764 173.432 176.300 -0.173 0.000 1.014 124 R CA -1.981 54.087 56.100 -0.052 0.000 0.907 124 R CB 0.591 30.893 30.300 0.003 0.000 1.146 124 R HN 0.637 nan 8.270 nan 0.000 0.499 125 P HA 0.066 nan 4.420 nan 0.000 0.274 125 P C -0.995 176.176 177.300 -0.215 0.000 1.231 125 P CA -0.332 62.567 63.100 -0.336 0.000 0.790 125 P CB 1.027 32.304 31.700 -0.705 0.000 0.951 126 D N 1.696 122.056 120.400 -0.066 0.000 2.470 126 D HA 0.041 4.681 4.640 -0.000 0.000 0.226 126 D C 1.075 177.379 176.300 0.006 0.000 1.196 126 D CA -0.085 53.899 54.000 -0.026 0.000 0.979 126 D CB 0.048 40.861 40.800 0.021 0.000 1.059 126 D HN 0.162 nan 8.370 nan 0.000 0.515 127 K N 1.088 121.466 120.400 -0.037 0.000 2.286 127 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 127 K C 1.406 178.037 176.600 0.052 0.000 1.045 127 K CA 1.139 57.436 56.287 0.017 0.000 0.935 127 K CB 0.197 32.683 32.500 -0.025 0.000 0.737 127 K HN 0.380 nan 8.250 nan 0.000 0.460 128 T N 0.794 115.367 114.554 0.031 0.000 2.896 128 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 128 T C 2.264 176.994 174.700 0.050 0.000 1.050 128 T CA 1.685 63.809 62.100 0.040 0.000 1.140 128 T CB -0.026 68.856 68.868 0.023 0.000 0.877 128 T HN 0.383 nan 8.240 nan 0.000 0.457 129 K N 1.646 122.078 120.400 0.052 0.000 2.155 129 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 129 K C 1.923 178.552 176.600 0.048 0.000 1.052 129 K CA 1.553 57.871 56.287 0.051 0.000 0.948 129 K CB -0.711 31.827 32.500 0.063 0.000 0.728 129 K HN 0.595 nan 8.250 nan 0.000 0.448 130 E N -0.230 120.024 120.200 0.089 0.000 2.015 130 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 130 E C 2.397 179.007 176.600 0.017 0.000 0.991 130 E CA 0.994 57.436 56.400 0.071 0.000 0.802 130 E CB -0.228 29.605 29.700 0.223 0.000 0.759 130 E HN 0.496 nan 8.360 nan 0.000 0.447 131 A N 1.950 124.842 122.820 0.121 0.000 1.896 131 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 131 A C 2.182 179.815 177.584 0.082 0.000 1.206 131 A CA 2.243 54.377 52.037 0.161 0.000 0.647 131 A CB -0.694 18.383 19.000 0.127 0.000 0.828 131 A HN 0.157 nan 8.150 nan 0.000 0.455 132 K N -0.444 119.983 120.400 0.045 0.000 2.076 132 K HA 0.063 4.383 4.320 -0.000 0.000 0.204 132 K C 1.968 178.563 176.600 -0.007 0.000 1.051 132 K CA 1.295 57.600 56.287 0.031 0.000 0.949 132 K CB -0.343 32.178 32.500 0.035 0.000 0.726 132 K HN 0.518 nan 8.250 nan 0.000 0.443 133 L N 0.774 121.970 121.223 -0.045 0.000 2.240 133 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 133 L C 2.211 178.981 176.870 -0.166 0.000 1.106 133 L CA 0.396 55.191 54.840 -0.074 0.000 0.793 133 L CB 0.075 42.096 42.059 -0.064 0.000 0.927 133 L HN -0.069 nan 8.230 nan 0.000 0.446 134 V N -2.236 117.479 119.914 -0.333 0.000 2.521 134 V HA -0.045 4.075 4.120 -0.000 0.000 0.239 134 V C 0.889 176.615 176.094 -0.614 0.000 1.053 134 V CA 0.786 62.705 62.300 -0.637 0.000 1.073 134 V CB -0.281 30.846 31.823 -1.161 0.000 0.746 134 V HN 0.179 nan 8.190 nan 0.000 0.476 135 F N 1.285 121.205 119.950 -0.051 0.000 2.975 135 F HA 0.667 5.194 4.527 -0.000 0.000 0.311 135 F C 1.418 177.195 175.800 -0.038 0.000 1.239 135 F CA 0.171 58.098 58.000 -0.121 0.000 1.282 135 F CB -0.076 38.618 39.000 -0.508 0.000 1.071 135 F HN 0.280 nan 8.300 nan 0.000 0.516 136 G N 1.211 110.124 108.800 0.188 0.000 2.574 136 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.282 136 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.282 136 G C 1.001 175.969 174.900 0.114 0.000 1.257 136 G CA 0.028 45.230 45.100 0.169 0.000 0.956 136 G HN 0.733 nan 8.290 nan 0.000 0.560 137 G N -1.068 107.802 108.800 0.118 0.000 3.314 137 G HA2 0.364 4.324 3.960 -0.000 0.000 0.230 137 G HA3 0.364 4.324 3.960 -0.000 0.000 0.230 137 G C 0.154 175.129 174.900 0.125 0.000 1.058 137 G CA 1.133 46.295 45.100 0.102 0.000 0.926 137 G HN 0.839 nan 8.290 nan 0.000 0.564 138 D N 1.557 122.063 120.400 0.176 0.000 2.520 138 D HA 0.088 4.728 4.640 -0.000 0.000 0.243 138 D C -1.293 175.146 176.300 0.232 0.000 1.160 138 D CA -1.184 52.943 54.000 0.212 0.000 0.877 138 D CB 1.961 42.953 40.800 0.319 0.000 1.150 138 D HN 0.033 nan 8.370 nan 0.000 0.494 139 P HA -0.057 nan 4.420 nan 0.000 0.225 139 P C 0.758 178.153 177.300 0.158 0.000 1.148 139 P CA 0.732 63.910 63.100 0.131 0.000 0.779 139 P CB 0.346 32.097 31.700 0.085 0.000 0.780 140 E N -2.027 118.307 120.200 0.224 0.000 2.385 140 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 140 E C 0.790 177.559 176.600 0.281 0.000 1.013 140 E CA -0.127 56.417 56.400 0.241 0.000 0.866 140 E CB -0.133 29.717 29.700 0.250 0.000 0.832 140 E HN 0.254 nan 8.360 nan 0.000 0.500 141 H N 0.683 119.868 119.070 0.192 0.000 3.034 141 H HA -0.026 4.530 4.556 -0.000 0.000 0.324 141 H C -1.876 173.361 175.328 -0.152 0.000 1.015 141 H CA -1.289 54.653 56.048 -0.178 0.000 1.429 141 H CB 1.230 30.920 29.762 -0.119 0.000 1.429 141 H HN -0.022 nan 8.280 nan 0.000 0.585 142 P HA -0.194 nan 4.420 nan 0.000 0.215 142 P C 1.168 178.497 177.300 0.048 0.000 1.163 142 P CA 2.516 65.598 63.100 -0.029 0.000 0.894 142 P CB -0.020 31.579 31.700 -0.168 0.000 0.791 143 A N -1.021 121.830 122.820 0.052 0.000 1.908 143 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 143 A C 2.256 179.694 177.584 -0.244 0.000 1.181 143 A CA 1.609 53.420 52.037 -0.376 0.000 0.627 143 A CB -1.646 16.565 19.000 -1.315 0.000 0.818 143 A HN 0.122 nan 8.150 nan 0.000 0.445 144 I N -0.583 119.912 120.570 -0.125 0.000 2.202 144 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 144 I C 2.329 178.488 176.117 0.070 0.000 1.091 144 I CA 1.072 62.387 61.300 0.025 0.000 1.368 144 I CB -0.345 37.699 38.000 0.073 0.000 1.058 144 I HN 0.145 nan 8.210 nan 0.000 0.410 145 V N 0.225 120.190 119.914 0.084 0.000 2.392 145 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 145 V C 2.267 178.414 176.094 0.089 0.000 1.059 145 V CA 2.007 64.354 62.300 0.079 0.000 1.051 145 V CB -0.831 31.039 31.823 0.079 0.000 0.658 145 V HN 0.405 nan 8.190 nan 0.000 0.455 146 Y N -0.088 120.198 120.300 -0.022 0.000 2.184 146 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 146 Y C 2.242 178.144 175.900 0.004 0.000 1.129 146 Y CA 1.456 59.545 58.100 -0.017 0.000 1.144 146 Y CB -0.278 38.160 38.460 -0.037 0.000 0.995 146 Y HN 0.179 nan 8.280 nan 0.000 0.513 147 L N 1.101 122.403 121.223 0.132 0.000 2.051 147 L HA -0.314 4.026 4.340 -0.000 0.000 0.214 147 L C 1.701 178.575 176.870 0.007 0.000 1.076 147 L CA 2.169 57.071 54.840 0.105 0.000 0.758 147 L CB -1.021 41.136 42.059 0.163 0.000 0.890 147 L HN 0.328 nan 8.230 nan 0.000 0.433 148 N N -0.942 117.754 118.700 -0.006 0.000 2.368 148 N HA -0.048 4.692 4.740 -0.000 0.000 0.176 148 N C 1.326 176.790 175.510 -0.077 0.000 1.021 148 N CA 1.135 54.164 53.050 -0.036 0.000 0.888 148 N CB -0.252 38.230 38.487 -0.010 0.000 0.995 148 N HN 0.445 nan 8.380 nan 0.000 0.437 149 N N -0.609 118.032 118.700 -0.099 0.000 2.415 149 N HA 0.063 4.803 4.740 -0.000 0.000 0.174 149 N C 1.122 176.512 175.510 -0.200 0.000 1.048 149 N CA 0.800 53.780 53.050 -0.117 0.000 0.895 149 N CB 0.289 38.732 38.487 -0.073 0.000 1.036 149 N HN 0.089 nan 8.380 nan 0.000 0.449 150 T N -0.620 113.710 114.554 -0.374 0.000 3.056 150 T HA 0.226 4.576 4.350 -0.000 0.000 0.243 150 T C 0.619 175.060 174.700 -0.431 0.000 0.995 150 T CA -0.165 61.622 62.100 -0.521 0.000 1.091 150 T CB 0.359 68.579 68.868 -1.081 0.000 0.990 150 T HN -0.193 nan 8.240 nan 0.000 0.464 151 V N 3.877 123.549 119.914 -0.404 0.000 2.673 151 V HA 0.114 4.234 4.120 -0.000 0.000 0.303 151 V C 0.784 176.820 176.094 -0.098 0.000 1.046 151 V CA -0.145 62.074 62.300 -0.136 0.000 1.126 151 V CB 0.336 32.179 31.823 0.033 0.000 0.934 151 V HN 0.236 nan 8.190 nan 0.000 0.487 152 K N 3.264 123.634 120.400 -0.051 0.000 2.614 152 K HA 0.139 4.459 4.320 -0.000 0.000 0.275 152 K C 1.415 177.921 176.600 -0.157 0.000 1.055 152 K CA -0.153 56.088 56.287 -0.077 0.000 0.961 152 K CB 0.224 32.708 32.500 -0.026 0.000 1.220 152 K HN 0.775 nan 8.250 nan 0.000 0.491 153 E N -0.511 119.545 120.200 -0.239 0.000 2.170 153 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 153 E C -0.330 175.763 176.600 -0.845 0.000 0.981 153 E CA 0.532 56.599 56.400 -0.556 0.000 0.830 153 E CB 0.302 29.589 29.700 -0.688 0.000 0.775 153 E HN 0.291 nan 8.360 nan 0.000 0.470 154 F N -0.520 119.308 119.950 -0.204 0.000 2.556 154 F HA 0.417 4.944 4.527 -0.000 0.000 0.327 154 F C -0.433 175.250 175.800 -0.194 0.000 1.059 154 F CA -0.931 56.906 58.000 -0.272 0.000 0.953 154 F CB 1.172 40.072 39.000 -0.167 0.000 1.227 154 F HN -0.162 nan 8.300 nan 0.000 0.478 155 Y N 1.781 121.893 120.300 -0.313 0.000 2.360 155 Y HA 0.591 5.141 4.550 -0.000 0.000 0.337 155 Y C -0.235 175.429 175.900 -0.395 0.000 1.039 155 Y CA -1.078 56.738 58.100 -0.473 0.000 1.109 155 Y CB 1.837 39.751 38.460 -0.909 0.000 1.201 155 Y HN 0.276 nan 8.280 nan 0.000 0.458 156 I N 3.246 123.806 120.570 -0.016 0.000 2.405 156 I HA 0.263 4.433 4.170 -0.000 0.000 0.280 156 I C 0.500 176.699 176.117 0.138 0.000 1.027 156 I CA -0.305 61.022 61.300 0.046 0.000 1.161 156 I CB 0.964 38.973 38.000 0.015 0.000 1.300 156 I HN 0.690 nan 8.210 nan 0.000 0.463 157 G N 3.794 112.756 108.800 0.269 0.000 2.503 157 G HA2 0.654 4.614 3.960 -0.000 0.000 0.257 157 G HA3 0.654 4.614 3.960 -0.000 0.000 0.257 157 G C -0.101 174.922 174.900 0.205 0.000 1.214 157 G CA -0.128 45.150 45.100 0.297 0.000 0.839 157 G HN 0.820 nan 8.290 nan 0.000 0.559 158 G N 0.008 108.921 108.800 0.188 0.000 2.376 158 G HA2 0.368 4.328 3.960 -0.000 0.000 0.302 158 G HA3 0.368 4.328 3.960 -0.000 0.000 0.302 158 G C -0.768 174.200 174.900 0.113 0.000 1.586 158 G CA -0.965 44.216 45.100 0.135 0.000 0.907 158 G HN 0.657 nan 8.290 nan 0.000 0.655 159 K N -0.053 120.390 120.400 0.072 0.000 2.138 159 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 159 K C 0.068 176.701 176.600 0.055 0.000 1.015 159 K CA -0.488 55.826 56.287 0.046 0.000 0.917 159 K CB 0.871 33.386 32.500 0.026 0.000 1.021 159 K HN 0.284 nan 8.250 nan 0.000 0.485 160 I N 1.675 122.264 120.570 0.032 0.000 2.603 160 I HA 0.269 4.439 4.170 -0.000 0.000 0.300 160 I C -0.278 175.851 176.117 0.021 0.000 1.017 160 I CA -0.490 60.832 61.300 0.037 0.000 1.098 160 I CB 1.908 39.918 38.000 0.018 0.000 1.279 160 I HN 0.612 nan 8.210 nan 0.000 0.437 161 E N 3.038 123.253 120.200 0.026 0.000 2.222 161 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 161 E C -0.863 175.745 176.600 0.013 0.000 0.884 161 E CA -0.861 55.548 56.400 0.014 0.000 0.764 161 E CB 2.677 32.386 29.700 0.015 0.000 1.169 161 E HN 0.683 nan 8.360 nan 0.000 0.413 162 A N 2.565 125.387 122.820 0.003 0.000 2.309 162 A HA 0.336 4.656 4.320 -0.000 0.000 0.290 162 A C 0.682 178.264 177.584 -0.003 0.000 1.206 162 A CA -0.438 51.598 52.037 -0.001 0.000 0.850 162 A CB 0.461 19.453 19.000 -0.012 0.000 1.118 162 A HN 0.475 nan 8.150 nan 0.000 0.523 163 V N 2.901 122.815 119.914 -0.001 0.000 2.521 163 V HA 0.115 4.235 4.120 -0.000 0.000 0.239 163 V C 0.700 176.786 176.094 -0.014 0.000 1.053 163 V CA 0.863 63.160 62.300 -0.004 0.000 1.073 163 V CB -0.453 31.371 31.823 0.002 0.000 0.746 163 V HN 0.832 nan 8.190 nan 0.000 0.476 164 N N 0.287 118.975 118.700 -0.019 0.000 2.396 164 N HA 0.323 5.063 4.740 -0.000 0.000 0.275 164 N C -1.303 174.179 175.510 -0.046 0.000 1.218 164 N CA -0.630 52.400 53.050 -0.034 0.000 0.812 164 N CB 2.539 41.004 38.487 -0.037 0.000 1.592 164 N HN 0.412 nan 8.380 nan 0.000 0.480 165 K N 1.044 121.408 120.400 -0.060 0.000 2.249 165 K HA 0.390 4.710 4.320 -0.000 0.000 0.280 165 K C 0.320 176.851 176.600 -0.114 0.000 1.033 165 K CA -0.581 55.661 56.287 -0.075 0.000 0.946 165 K CB 1.055 33.511 32.500 -0.073 0.000 1.005 165 K HN 0.366 nan 8.250 nan 0.000 0.469 166 L N 2.398 123.538 121.223 -0.138 0.000 2.536 166 L HA -0.084 4.256 4.340 -0.000 0.000 0.294 166 L C 0.359 177.024 176.870 -0.343 0.000 1.257 166 L CA 0.575 55.271 54.840 -0.241 0.000 0.850 166 L CB -0.215 41.654 42.059 -0.318 0.000 1.105 166 L HN 0.816 nan 8.230 nan 0.000 0.517 167 N N 1.018 119.481 118.700 -0.396 0.000 2.443 167 N HA 0.291 5.031 4.740 -0.000 0.000 0.295 167 N C -0.945 174.168 175.510 -0.661 0.000 1.076 167 N CA -0.561 52.220 53.050 -0.448 0.000 0.919 167 N CB 0.909 39.215 38.487 -0.301 0.000 1.176 167 N HN -0.014 nan 8.380 nan 0.000 0.487 168 H N 2.584 121.401 119.070 -0.422 0.000 2.667 168 H HA 0.334 4.890 4.556 -0.000 0.000 0.353 168 H C -0.019 175.036 175.328 -0.455 0.000 1.072 168 H CA -0.780 55.092 56.048 -0.293 0.000 1.214 168 H CB 0.969 30.634 29.762 -0.161 0.000 1.600 168 H HN 0.282 nan 8.280 nan 0.000 0.527 169 Y N 0.072 120.439 120.300 0.112 0.000 2.458 169 Y HA 0.012 4.562 4.550 -0.000 0.000 0.256 169 Y C 0.457 176.361 175.900 0.007 0.000 1.159 169 Y CA -0.459 57.665 58.100 0.041 0.000 1.261 169 Y CB 0.673 39.144 38.460 0.018 0.000 1.119 169 Y HN 0.464 nan 8.280 nan 0.000 0.524 170 D N -1.139 119.330 120.400 0.114 0.000 2.256 170 D HA 0.099 4.739 4.640 -0.000 0.000 0.240 170 D C -0.382 175.868 176.300 -0.084 0.000 1.062 170 D CA -0.951 53.002 54.000 -0.077 0.000 0.832 170 D CB 0.418 41.247 40.800 0.048 0.000 1.135 170 D HN 0.314 nan 8.370 nan 0.000 0.484 171 Y N 0.222 120.555 120.300 0.055 0.000 3.168 171 Y HA -0.315 4.235 4.550 -0.000 0.000 0.207 171 Y C 1.759 177.615 175.900 -0.074 0.000 1.280 171 Y CA 0.403 58.499 58.100 -0.008 0.000 1.235 171 Y CB -2.085 36.367 38.460 -0.012 0.000 1.370 171 Y HN 0.427 nan 8.280 nan 0.000 0.537 172 V N -2.767 117.146 119.914 -0.002 0.000 2.407 172 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 172 V C 2.154 178.162 176.094 -0.143 0.000 1.055 172 V CA 1.852 64.107 62.300 -0.075 0.000 1.049 172 V CB -0.693 31.072 31.823 -0.097 0.000 0.662 172 V HN 0.602 nan 8.190 nan 0.000 0.455 173 A N -0.063 122.689 122.820 -0.113 0.000 2.168 173 A HA 0.250 4.570 4.320 -0.000 0.000 0.215 173 A C 2.080 179.488 177.584 -0.293 0.000 1.152 173 A CA 1.457 53.376 52.037 -0.196 0.000 0.716 173 A CB -0.505 18.433 19.000 -0.103 0.000 0.794 173 A HN 0.621 nan 8.150 nan 0.000 0.465 174 L N -1.415 119.702 121.223 -0.176 0.000 2.693 174 L HA 0.199 4.539 4.340 -0.000 0.000 0.235 174 L C 0.783 177.558 176.870 -0.159 0.000 1.127 174 L CA -0.209 54.560 54.840 -0.118 0.000 0.914 174 L CB 0.062 42.126 42.059 0.008 0.000 1.193 174 L HN 0.192 nan 8.230 nan 0.000 0.502 175 R N -0.188 120.153 120.500 -0.266 0.000 2.459 175 R HA 0.479 4.819 4.340 -0.000 0.000 0.281 175 R C -1.485 174.608 176.300 -0.345 0.000 1.050 175 R CA -0.138 55.847 56.100 -0.192 0.000 1.055 175 R CB 1.006 31.214 30.300 -0.154 0.000 1.045 175 R HN -0.137 nan 8.270 nan 0.000 0.495 176 Y N -0.638 119.627 120.300 -0.057 0.000 2.513 176 Y HA 0.180 4.730 4.550 -0.000 0.000 0.340 176 Y C 0.175 176.089 175.900 0.022 0.000 1.055 176 Y CA -0.857 57.216 58.100 -0.046 0.000 1.020 176 Y CB 2.348 40.765 38.460 -0.072 0.000 1.301 176 Y HN 0.594 nan 8.280 nan 0.000 0.453 177 T N -0.849 113.800 114.554 0.157 0.000 2.922 177 T HA 0.315 4.665 4.350 -0.000 0.000 0.285 177 T C -2.304 172.418 174.700 0.036 0.000 1.005 177 T CA -2.238 59.908 62.100 0.078 0.000 1.061 177 T CB 1.841 70.709 68.868 -0.001 0.000 1.007 177 T HN 0.256 nan 8.240 nan 0.000 0.502 178 P HA -0.188 nan 4.420 nan 0.000 0.216 178 P C 1.722 178.944 177.300 -0.130 0.000 1.157 178 P CA 1.961 64.886 63.100 -0.292 0.000 0.880 178 P CB -0.278 31.153 31.700 -0.448 0.000 0.791 179 A N -0.427 122.338 122.820 -0.092 0.000 1.883 179 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 179 A C 2.159 179.717 177.584 -0.043 0.000 1.186 179 A CA 1.987 53.989 52.037 -0.058 0.000 0.624 179 A CB -1.303 17.671 19.000 -0.043 0.000 0.822 179 A HN 0.198 nan 8.150 nan 0.000 0.444 180 E N -0.872 119.325 120.200 -0.005 0.000 2.051 180 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 180 E C 1.941 178.538 176.600 -0.005 0.000 0.991 180 E CA 1.099 57.529 56.400 0.051 0.000 0.799 180 E CB -0.248 29.538 29.700 0.143 0.000 0.748 180 E HN 0.432 nan 8.360 nan 0.000 0.449 181 L N 1.389 122.539 121.223 -0.123 0.000 1.989 181 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 181 L C 2.160 178.629 176.870 -0.668 0.000 1.071 181 L CA 1.803 56.301 54.840 -0.569 0.000 0.749 181 L CB -0.380 41.352 42.059 -0.545 0.000 0.890 181 L HN -0.033 nan 8.230 nan 0.000 0.431 182 R N -1.440 118.839 120.500 -0.368 0.000 2.094 182 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 182 R C 2.093 178.335 176.300 -0.098 0.000 1.137 182 R CA 1.826 57.820 56.100 -0.175 0.000 0.943 182 R CB -0.817 29.454 30.300 -0.048 0.000 0.850 182 R HN 0.289 nan 8.270 nan 0.000 0.433 183 V N 0.159 120.030 119.914 -0.072 0.000 2.568 183 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 183 V C 2.062 178.144 176.094 -0.021 0.000 1.072 183 V CA 2.071 64.358 62.300 -0.023 0.000 1.084 183 V CB -0.668 31.154 31.823 -0.001 0.000 0.676 183 V HN 0.370 nan 8.190 nan 0.000 0.469 184 H N -0.362 118.580 119.070 -0.214 0.000 2.333 184 H HA -0.044 4.512 4.556 -0.000 0.000 0.302 184 H C 2.047 177.235 175.328 -0.233 0.000 1.075 184 H CA 1.591 57.484 56.048 -0.257 0.000 1.348 184 H CB -0.347 29.170 29.762 -0.408 0.000 1.393 184 H HN 0.435 nan 8.280 nan 0.000 0.509 185 F N -0.095 119.682 119.950 -0.288 0.000 2.161 185 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 185 F C 2.242 177.902 175.800 -0.233 0.000 1.089 185 F CA 0.910 58.726 58.000 -0.308 0.000 1.282 185 F CB -0.003 38.968 39.000 -0.049 0.000 1.010 185 F HN 0.283 nan 8.300 nan 0.000 0.485 186 D N 0.363 120.788 120.400 0.042 0.000 2.077 186 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 186 D C 2.144 178.405 176.300 -0.064 0.000 0.986 186 D CA 1.215 55.222 54.000 0.013 0.000 0.829 186 D CB -0.141 40.670 40.800 0.018 0.000 0.983 186 D HN -0.035 nan 8.370 nan 0.000 0.453 187 K N 0.137 120.470 120.400 -0.112 0.000 2.127 187 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 187 K C 1.890 178.374 176.600 -0.194 0.000 1.047 187 K CA 1.076 57.287 56.287 -0.127 0.000 0.927 187 K CB -0.181 32.253 32.500 -0.111 0.000 0.716 187 K HN 0.233 nan 8.250 nan 0.000 0.450 188 L N -0.633 120.364 121.223 -0.376 0.000 2.478 188 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 188 L C 1.203 177.980 176.870 -0.155 0.000 1.140 188 L CA 0.618 55.190 54.840 -0.447 0.000 0.842 188 L CB -0.224 41.165 42.059 -1.117 0.000 0.953 188 L HN 0.594 nan 8.230 nan 0.000 0.452 189 G N -1.068 107.702 108.800 -0.050 0.000 2.160 189 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 189 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 189 G C -0.369 174.697 174.900 0.275 0.000 1.022 189 G CA -0.432 44.727 45.100 0.099 0.000 0.741 189 G HN 0.148 nan 8.290 nan 0.000 0.508 190 W N 0.041 121.310 121.300 -0.052 0.000 2.375 190 W HA 0.671 5.331 4.660 -0.000 0.000 0.336 190 W C 1.219 177.682 176.519 -0.094 0.000 1.160 190 W CA -0.390 56.895 57.345 -0.101 0.000 1.266 190 W CB 1.414 30.762 29.460 -0.188 0.000 1.195 190 W HN 0.449 nan 8.180 nan 0.000 0.599 191 S N 0.130 115.872 115.700 0.071 0.000 2.653 191 S HA 0.309 4.779 4.470 -0.000 0.000 0.259 191 S C 0.133 174.716 174.600 -0.029 0.000 1.076 191 S CA -0.512 57.703 58.200 0.024 0.000 1.051 191 S CB 0.671 63.884 63.200 0.023 0.000 0.994 191 S HN 0.428 nan 8.310 nan 0.000 0.552 192 R N 0.966 121.403 120.500 -0.105 0.000 2.480 192 R HA 0.796 5.136 4.340 -0.000 0.000 0.306 192 R C -1.830 174.324 176.300 -0.242 0.000 0.958 192 R CA -0.591 55.455 56.100 -0.091 0.000 0.861 192 R CB 2.393 32.644 30.300 -0.083 0.000 1.171 192 R HN 0.073 nan 8.270 nan 0.000 0.445 193 V N 3.606 123.414 119.914 -0.176 0.000 2.524 193 V HA 0.237 4.356 4.120 -0.000 0.000 0.297 193 V C -0.325 175.709 176.094 -0.100 0.000 1.035 193 V CA -0.902 61.227 62.300 -0.285 0.000 0.867 193 V CB 2.185 33.683 31.823 -0.542 0.000 1.004 193 V HN 0.532 nan 8.190 nan 0.000 0.426 194 V N 3.240 123.074 119.914 -0.133 0.000 2.432 194 V HA 0.817 4.937 4.120 -0.000 0.000 0.275 194 V C 0.601 176.746 176.094 0.086 0.000 1.043 194 V CA -0.406 61.898 62.300 0.006 0.000 0.925 194 V CB 1.214 33.011 31.823 -0.043 0.000 0.985 194 V HN 0.946 nan 8.190 nan 0.000 0.466 195 A N 4.631 127.583 122.820 0.219 0.000 2.324 195 A HA 0.824 5.144 4.320 -0.000 0.000 0.330 195 A C -1.069 176.723 177.584 0.347 0.000 1.165 195 A CA -0.414 51.785 52.037 0.271 0.000 0.813 195 A CB 0.997 20.177 19.000 0.299 0.000 1.197 195 A HN 0.768 nan 8.150 nan 0.000 0.484 196 F N 1.954 121.975 119.950 0.118 0.000 2.427 196 F HA 0.533 5.060 4.527 -0.000 0.000 0.348 196 F C 0.115 175.944 175.800 0.049 0.000 1.125 196 F CA -0.730 57.288 58.000 0.031 0.000 0.989 196 F CB 1.720 40.703 39.000 -0.029 0.000 1.165 196 F HN 0.706 nan 8.300 nan 0.000 0.442 197 Q N 4.172 123.656 119.800 -0.527 0.000 2.260 197 Q HA 0.647 4.987 4.340 -0.000 0.000 0.242 197 Q C -1.012 174.456 176.000 -0.886 0.000 0.932 197 Q CA -0.008 55.520 55.803 -0.458 0.000 0.891 197 Q CB 1.702 30.383 28.738 -0.095 0.000 1.222 197 Q HN 0.776 nan 8.270 nan 0.000 0.453 198 T N 1.573 115.764 114.554 -0.604 0.000 2.927 198 T HA 0.462 4.812 4.350 -0.000 0.000 0.350 198 T C -1.456 173.081 174.700 -0.271 0.000 1.746 198 T CA -0.469 61.338 62.100 -0.488 0.000 1.081 198 T CB 0.523 69.098 68.868 -0.489 0.000 1.551 198 T HN 0.838 nan 8.240 nan 0.000 0.489 199 R N 1.779 122.182 120.500 -0.162 0.000 2.616 199 R HA 0.504 4.844 4.340 -0.000 0.000 0.427 199 R C -0.117 176.174 176.300 -0.015 0.000 1.030 199 R CA -0.765 55.291 56.100 -0.073 0.000 1.133 199 R CB 0.204 30.454 30.300 -0.083 0.000 1.444 199 R HN 0.255 nan 8.270 nan 0.000 0.578 200 N N 1.054 119.754 118.700 0.001 0.000 2.571 200 N HA 0.449 5.189 4.740 -0.000 0.000 0.273 200 N C -2.971 172.514 175.510 -0.041 0.000 1.340 200 N CA -2.038 50.998 53.050 -0.024 0.000 0.789 200 N CB 2.313 40.773 38.487 -0.046 0.000 1.514 200 N HN -0.119 nan 8.380 nan 0.000 0.499 201 P HA 0.185 nan 4.420 nan 0.000 0.272 201 P C -0.595 176.437 177.300 -0.448 0.000 1.223 201 P CA 0.078 62.982 63.100 -0.327 0.000 0.784 201 P CB 0.813 32.318 31.700 -0.325 0.000 0.923 202 M N 2.699 122.126 119.600 -0.288 0.000 2.108 202 M HA 0.211 4.691 4.480 -0.000 0.000 0.354 202 M C 0.743 176.825 176.300 -0.362 0.000 1.229 202 M CA -0.272 54.840 55.300 -0.313 0.000 1.081 202 M CB 0.460 33.086 32.600 0.044 0.000 1.606 202 M HN 0.399 nan 8.290 nan 0.000 0.467 203 H N 1.566 120.688 119.070 0.087 0.000 2.760 203 H HA 0.412 4.968 4.556 -0.000 0.000 0.301 203 H C 0.848 176.076 175.328 -0.167 0.000 1.498 203 H CA -0.667 55.307 56.048 -0.124 0.000 1.525 203 H CB 0.617 30.093 29.762 -0.475 0.000 1.771 203 H HN 0.560 nan 8.280 nan 0.000 0.827 204 R N 0.421 120.723 120.500 -0.330 0.000 2.091 204 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 204 R C 1.999 177.970 176.300 -0.548 0.000 1.136 204 R CA 1.498 57.275 56.100 -0.539 0.000 0.959 204 R CB -0.876 29.037 30.300 -0.646 0.000 0.856 204 R HN 0.682 nan 8.270 nan 0.000 0.437 205 A N 0.640 123.201 122.820 -0.431 0.000 1.892 205 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 205 A C 1.882 179.164 177.584 -0.503 0.000 1.188 205 A CA 2.032 53.804 52.037 -0.441 0.000 0.631 205 A CB -0.888 17.889 19.000 -0.371 0.000 0.822 205 A HN 0.517 nan 8.150 nan 0.000 0.447 206 H N -1.311 117.613 119.070 -0.244 0.000 2.457 206 H HA -0.021 4.535 4.556 -0.000 0.000 0.294 206 H C 2.117 177.180 175.328 -0.442 0.000 1.064 206 H CA 1.233 57.072 56.048 -0.348 0.000 1.330 206 H CB -0.095 29.535 29.762 -0.221 0.000 1.395 206 H HN 0.377 nan 8.280 nan 0.000 0.541 207 R N 1.213 121.583 120.500 -0.217 0.000 2.092 207 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 207 R C 1.228 177.350 176.300 -0.298 0.000 1.119 207 R CA 1.134 57.079 56.100 -0.259 0.000 0.970 207 R CB 0.163 30.324 30.300 -0.232 0.000 0.864 207 R HN 0.379 nan 8.270 nan 0.000 0.440 208 E N 1.024 121.011 120.200 -0.356 0.000 2.047 208 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 208 E C 2.240 178.657 176.600 -0.305 0.000 0.987 208 E CA 0.869 57.085 56.400 -0.307 0.000 0.799 208 E CB -0.404 29.087 29.700 -0.347 0.000 0.752 208 E HN 0.350 nan 8.360 nan 0.000 0.449 209 L N 1.092 122.025 121.223 -0.483 0.000 1.971 209 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 209 L C 2.865 179.464 176.870 -0.452 0.000 1.072 209 L CA 2.240 56.591 54.840 -0.815 0.000 0.758 209 L CB -1.619 39.862 42.059 -0.962 0.000 0.889 209 L HN 0.242 nan 8.230 nan 0.000 0.433 210 T N -2.609 111.710 114.554 -0.391 0.000 2.720 210 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 210 T C 1.729 176.407 174.700 -0.037 0.000 1.037 210 T CA 1.548 63.529 62.100 -0.198 0.000 1.144 210 T CB -0.840 67.900 68.868 -0.213 0.000 0.864 210 T HN 0.140 nan 8.240 nan 0.000 0.444 211 V N 1.273 121.178 119.914 -0.015 0.000 2.667 211 V HA 0.005 4.125 4.120 -0.000 0.000 0.252 211 V C 2.934 179.038 176.094 0.016 0.000 1.065 211 V CA 1.351 63.667 62.300 0.027 0.000 1.083 211 V CB -0.751 31.076 31.823 0.007 0.000 0.692 211 V HN 0.419 nan 8.190 nan 0.000 0.468 212 R N 0.502 121.021 120.500 0.032 0.000 2.066 212 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 212 R C 2.498 178.893 176.300 0.158 0.000 1.131 212 R CA 1.494 57.667 56.100 0.122 0.000 0.955 212 R CB -0.592 29.850 30.300 0.236 0.000 0.851 212 R HN 0.505 nan 8.270 nan 0.000 0.432 213 A N 1.092 124.054 122.820 0.238 0.000 1.933 213 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 213 A C 2.322 179.897 177.584 -0.015 0.000 1.175 213 A CA 1.706 53.837 52.037 0.158 0.000 0.628 213 A CB -0.602 18.534 19.000 0.226 0.000 0.814 213 A HN 0.416 nan 8.150 nan 0.000 0.444 214 A N -0.405 122.391 122.820 -0.040 0.000 1.898 214 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 214 A C 2.252 179.772 177.584 -0.108 0.000 1.181 214 A CA 1.677 53.642 52.037 -0.120 0.000 0.620 214 A CB -0.448 18.480 19.000 -0.120 0.000 0.819 214 A HN 0.556 nan 8.150 nan 0.000 0.442 215 R N 0.035 120.503 120.500 -0.053 0.000 2.066 215 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 215 R C 2.616 178.886 176.300 -0.049 0.000 1.131 215 R CA 1.942 58.016 56.100 -0.044 0.000 0.955 215 R CB -0.317 29.976 30.300 -0.013 0.000 0.851 215 R HN 0.626 nan 8.270 nan 0.000 0.432 216 S N 0.467 116.146 115.700 -0.035 0.000 2.343 216 S HA -0.105 4.365 4.470 -0.000 0.000 0.219 216 S C 1.687 176.243 174.600 -0.073 0.000 1.033 216 S CA 0.749 58.923 58.200 -0.042 0.000 1.014 216 S CB -0.195 62.984 63.200 -0.034 0.000 0.915 216 S HN 0.289 nan 8.310 nan 0.000 0.435 217 R N 1.159 121.584 120.500 -0.125 0.000 2.328 217 R HA 0.237 4.577 4.340 -0.000 0.000 0.206 217 R C 0.116 176.297 176.300 -0.198 0.000 0.990 217 R CA 0.148 56.135 56.100 -0.189 0.000 1.085 217 R CB -1.170 28.856 30.300 -0.458 0.000 0.998 217 R HN 0.549 nan 8.270 nan 0.000 0.484 218 Q N -1.016 118.694 119.800 -0.151 0.000 2.439 218 Q HA -0.195 4.145 4.340 -0.000 0.000 0.325 218 Q C -0.552 175.321 176.000 -0.213 0.000 1.372 218 Q CA 1.155 56.870 55.803 -0.147 0.000 0.909 218 Q CB -1.814 26.866 28.738 -0.098 0.000 1.167 218 Q HN 0.471 nan 8.270 nan 0.000 0.418 219 A N 0.254 122.907 122.820 -0.279 0.000 2.435 219 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 219 A C 0.127 177.443 177.584 -0.447 0.000 1.147 219 A CA -0.698 51.118 52.037 -0.368 0.000 0.775 219 A CB 1.127 19.872 19.000 -0.426 0.000 1.340 219 A HN 0.232 nan 8.150 nan 0.000 0.427 220 N N -0.598 117.703 118.700 -0.666 0.000 2.476 220 N HA 0.499 5.239 4.740 -0.000 0.000 0.275 220 N C -0.964 174.151 175.510 -0.659 0.000 1.190 220 N CA -0.161 52.306 53.050 -0.972 0.000 0.977 220 N CB 1.726 38.876 38.487 -2.229 0.000 1.200 220 N HN 0.337 nan 8.380 nan 0.000 0.515 221 V N 2.013 121.615 119.914 -0.520 0.000 2.427 221 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 221 V C -0.099 175.966 176.094 -0.048 0.000 1.034 221 V CA -0.742 61.401 62.300 -0.262 0.000 0.893 221 V CB 1.417 33.049 31.823 -0.319 0.000 0.982 221 V HN 0.413 nan 8.190 nan 0.000 0.452 222 L N 6.705 127.952 121.223 0.040 0.000 2.318 222 L HA 0.583 4.923 4.340 -0.000 0.000 0.277 222 L C -0.416 176.528 176.870 0.124 0.000 1.008 222 L CA 0.152 55.083 54.840 0.152 0.000 0.846 222 L CB 0.842 43.018 42.059 0.196 0.000 1.220 222 L HN 0.542 nan 8.230 nan 0.000 0.423 223 I N 5.042 125.658 120.570 0.077 0.000 2.322 223 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 223 I C 0.006 176.153 176.117 0.050 0.000 1.060 223 I CA -0.033 61.308 61.300 0.068 0.000 1.309 223 I CB 0.218 38.205 38.000 -0.022 0.000 1.415 223 I HN 0.617 nan 8.210 nan 0.000 0.492 224 H N 8.390 127.396 119.070 -0.106 0.000 2.360 224 H HA 0.325 4.881 4.556 -0.000 0.000 0.233 224 H C -2.457 172.696 175.328 -0.291 0.000 1.473 224 H CA -1.911 54.032 56.048 -0.175 0.000 1.352 224 H CB 0.908 30.602 29.762 -0.114 0.000 1.493 224 H HN 0.361 nan 8.280 nan 0.000 0.533 225 P HA 0.019 nan 4.420 nan 0.000 0.277 225 P C 0.044 177.103 177.300 -0.402 0.000 1.240 225 P CA -0.341 62.481 63.100 -0.462 0.000 0.798 225 P CB 2.394 33.736 31.700 -0.598 0.000 0.979 226 V N 3.061 122.776 119.914 -0.332 0.000 2.583 226 V HA 0.045 4.165 4.120 -0.000 0.000 0.287 226 V C 1.371 177.329 176.094 -0.226 0.000 1.051 226 V CA 0.259 62.375 62.300 -0.308 0.000 1.010 226 V CB 1.326 32.990 31.823 -0.265 0.000 0.988 226 V HN 0.383 nan 8.190 nan 0.000 0.478 227 V N 3.644 123.385 119.914 -0.288 0.000 3.398 227 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 227 V C 1.442 177.258 176.094 -0.463 0.000 1.496 227 V CA 1.046 63.117 62.300 -0.382 0.000 1.044 227 V CB 0.595 32.175 31.823 -0.406 0.000 0.880 227 V HN 0.974 nan 8.190 nan 0.000 0.443 228 G N 0.139 108.769 108.800 -0.284 0.000 2.670 228 G HA2 0.266 4.226 3.960 -0.000 0.000 0.219 228 G HA3 0.266 4.226 3.960 -0.000 0.000 0.219 228 G C 0.293 175.130 174.900 -0.105 0.000 1.342 228 G CA 0.314 45.301 45.100 -0.188 0.000 0.902 228 G HN 0.284 nan 8.290 nan 0.000 0.553 229 L N -0.499 120.684 121.223 -0.067 0.000 2.409 229 L HA 0.616 4.956 4.340 -0.000 0.000 0.262 229 L C -0.387 176.456 176.870 -0.044 0.000 0.992 229 L CA -0.545 54.272 54.840 -0.040 0.000 0.817 229 L CB 2.635 44.672 42.059 -0.037 0.000 1.350 229 L HN 0.247 nan 8.230 nan 0.000 0.411 230 T N -0.406 114.126 114.554 -0.037 0.000 2.590 230 T HA 0.254 4.604 4.350 -0.000 0.000 0.282 230 T C -0.900 173.779 174.700 -0.036 0.000 0.989 230 T CA -0.705 61.374 62.100 -0.035 0.000 1.091 230 T CB 1.906 70.756 68.868 -0.031 0.000 1.460 230 T HN 0.397 nan 8.240 nan 0.000 0.499 231 K N 1.311 121.690 120.400 -0.034 0.000 2.414 231 K HA 0.146 4.466 4.320 -0.000 0.000 0.272 231 K C -1.806 174.776 176.600 -0.030 0.000 0.993 231 K CA -1.285 54.975 56.287 -0.044 0.000 0.964 231 K CB 0.522 32.996 32.500 -0.042 0.000 0.925 231 K HN 0.071 nan 8.250 nan 0.000 0.487 232 P HA -0.201 nan 4.420 nan 0.000 0.219 232 P C 0.371 177.672 177.300 0.001 0.000 1.158 232 P CA 1.656 64.748 63.100 -0.013 0.000 0.895 232 P CB 0.129 31.822 31.700 -0.012 0.000 0.792 233 G N -1.506 107.296 108.800 0.003 0.000 4.098 233 G HA2 0.147 4.107 3.960 -0.000 0.000 0.300 233 G HA3 0.147 4.107 3.960 -0.000 0.000 0.300 233 G C -0.774 174.135 174.900 0.016 0.000 1.187 233 G CA -0.295 44.812 45.100 0.012 0.000 0.964 233 G HN 0.174 nan 8.290 nan 0.000 0.559 234 D N 0.183 120.592 120.400 0.014 0.000 2.423 234 D HA 0.302 4.942 4.640 -0.000 0.000 0.255 234 D C 0.753 177.066 176.300 0.021 0.000 1.174 234 D CA -0.707 53.302 54.000 0.016 0.000 1.008 234 D CB 1.208 42.013 40.800 0.009 0.000 1.101 234 D HN 0.057 nan 8.370 nan 0.000 0.516 235 I N 1.653 122.232 120.570 0.014 0.000 2.741 235 I HA -0.048 4.122 4.170 -0.000 0.000 0.288 235 I C 1.116 177.244 176.117 0.018 0.000 1.192 235 I CA -0.069 61.236 61.300 0.009 0.000 1.426 235 I CB -0.107 37.886 38.000 -0.013 0.000 1.367 235 I HN 0.375 nan 8.210 nan 0.000 0.563 236 D N 7.134 127.558 120.400 0.040 0.000 2.474 236 D HA -0.191 4.449 4.640 -0.000 0.000 0.232 236 D C 1.168 177.482 176.300 0.023 0.000 1.177 236 D CA 0.058 54.104 54.000 0.075 0.000 0.876 236 D CB 0.534 41.406 40.800 0.120 0.000 1.208 236 D HN 0.769 nan 8.370 nan 0.000 0.464 237 H N 0.940 119.998 119.070 -0.020 0.000 2.457 237 H HA -0.120 4.436 4.556 -0.000 0.000 0.294 237 H C 1.408 176.666 175.328 -0.116 0.000 1.064 237 H CA 0.705 56.677 56.048 -0.128 0.000 1.330 237 H CB -0.466 29.163 29.762 -0.220 0.000 1.395 237 H HN 0.424 nan 8.280 nan 0.000 0.541 238 F N 2.016 121.615 119.950 -0.584 0.000 2.146 238 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 238 F C 2.818 178.542 175.800 -0.127 0.000 1.096 238 F CA 1.519 59.389 58.000 -0.216 0.000 1.275 238 F CB -0.708 38.203 39.000 -0.148 0.000 1.008 238 F HN 0.122 nan 8.300 nan 0.000 0.480 239 T N 0.063 114.647 114.554 0.051 0.000 2.746 239 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 239 T C 2.063 176.657 174.700 -0.176 0.000 1.039 239 T CA 1.213 63.291 62.100 -0.038 0.000 1.142 239 T CB -0.234 68.612 68.868 -0.035 0.000 0.866 239 T HN 0.193 nan 8.240 nan 0.000 0.444 240 R N 0.371 120.723 120.500 -0.248 0.000 2.081 240 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 240 R C 2.503 178.292 176.300 -0.851 0.000 1.131 240 R CA 0.964 56.727 56.100 -0.562 0.000 0.960 240 R CB -0.731 29.320 30.300 -0.414 0.000 0.856 240 R HN 0.238 nan 8.270 nan 0.000 0.436 241 V N 0.886 120.545 119.914 -0.424 0.000 2.407 241 V HA -0.234 3.885 4.120 -0.000 0.000 0.248 241 V C 2.424 178.364 176.094 -0.256 0.000 1.055 241 V CA 1.601 63.711 62.300 -0.317 0.000 1.049 241 V CB -0.514 30.934 31.823 -0.624 0.000 0.662 241 V HN 0.286 nan 8.190 nan 0.000 0.455 242 R N -0.237 120.148 120.500 -0.193 0.000 2.081 242 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 242 R C 2.338 178.560 176.300 -0.130 0.000 1.131 242 R CA 1.590 57.640 56.100 -0.084 0.000 0.960 242 R CB -0.399 29.887 30.300 -0.024 0.000 0.856 242 R HN 0.530 nan 8.270 nan 0.000 0.436 243 A N -0.176 122.490 122.820 -0.256 0.000 1.898 243 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 243 A C 1.900 179.365 177.584 -0.198 0.000 1.181 243 A CA 1.081 52.964 52.037 -0.256 0.000 0.620 243 A CB -0.743 18.041 19.000 -0.360 0.000 0.819 243 A HN 0.457 nan 8.150 nan 0.000 0.442 244 Y N -0.133 120.128 120.300 -0.066 0.000 2.145 244 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 244 Y C 2.818 178.704 175.900 -0.023 0.000 1.145 244 Y CA 1.417 59.491 58.100 -0.043 0.000 1.148 244 Y CB -0.351 38.076 38.460 -0.055 0.000 0.981 244 Y HN 0.359 nan 8.280 nan 0.000 0.507 245 Q N -0.026 119.829 119.800 0.091 0.000 2.170 245 Q HA -0.185 4.155 4.340 -0.000 0.000 0.203 245 Q C 2.476 178.495 176.000 0.032 0.000 0.976 245 Q CA 1.139 56.978 55.803 0.059 0.000 0.858 245 Q CB -0.262 28.497 28.738 0.035 0.000 0.907 245 Q HN 0.539 nan 8.270 nan 0.000 0.433 246 A N 0.272 123.092 122.820 0.001 0.000 2.067 246 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 246 A C 1.907 179.456 177.584 -0.058 0.000 1.158 246 A CA 0.755 52.777 52.037 -0.025 0.000 0.661 246 A CB -0.221 18.759 19.000 -0.032 0.000 0.801 246 A HN 0.341 nan 8.150 nan 0.000 0.452 247 L N -0.636 120.570 121.223 -0.028 0.000 2.202 247 L HA 0.118 4.457 4.340 -0.000 0.000 0.205 247 L C 2.124 178.976 176.870 -0.030 0.000 1.083 247 L CA 0.957 55.749 54.840 -0.081 0.000 0.790 247 L CB -0.305 41.775 42.059 0.035 0.000 0.942 247 L HN 0.363 nan 8.230 nan 0.000 0.452 248 L N 0.300 121.582 121.223 0.099 0.000 2.030 248 L HA -0.255 4.085 4.340 -0.000 0.000 0.222 248 L C -0.301 176.654 176.870 0.142 0.000 1.082 248 L CA 1.846 56.800 54.840 0.190 0.000 0.785 248 L CB -2.268 39.864 42.059 0.122 0.000 0.895 248 L HN 0.279 nan 8.230 nan 0.000 0.439 249 P HA -0.149 nan 4.420 nan 0.000 0.227 249 P C 0.935 178.179 177.300 -0.093 0.000 1.145 249 P CA 1.015 64.103 63.100 -0.021 0.000 0.769 249 P CB -0.082 31.589 31.700 -0.049 0.000 0.769 250 R N -1.963 118.409 120.500 -0.213 0.000 2.313 250 R HA 0.134 4.474 4.340 -0.000 0.000 0.199 250 R C 0.216 176.320 176.300 -0.328 0.000 0.958 250 R CA 0.113 55.992 56.100 -0.369 0.000 1.047 250 R CB -0.607 29.262 30.300 -0.718 0.000 0.955 250 R HN 0.348 nan 8.270 nan 0.000 0.481 251 Y N 1.005 121.255 120.300 -0.083 0.000 2.496 251 Y HA 0.353 4.903 4.550 -0.000 0.000 0.331 251 Y C -1.662 174.219 175.900 -0.032 0.000 1.140 251 Y CA -2.779 55.290 58.100 -0.052 0.000 1.166 251 Y CB 0.688 39.124 38.460 -0.039 0.000 1.249 251 Y HN -0.084 nan 8.280 nan 0.000 0.479 252 P HA -0.045 nan 4.420 nan 0.000 0.271 252 P C -0.581 176.773 177.300 0.090 0.000 1.216 252 P CA -0.139 63.011 63.100 0.083 0.000 0.776 252 P CB 0.546 32.279 31.700 0.055 0.000 0.881 253 N N 1.425 120.166 118.700 0.068 0.000 2.138 253 N HA -0.102 4.638 4.740 -0.000 0.000 0.271 253 N C 1.397 176.956 175.510 0.082 0.000 1.272 253 N CA 2.044 55.136 53.050 0.070 0.000 0.819 253 N CB -0.147 38.372 38.487 0.053 0.000 1.052 253 N HN 0.792 nan 8.380 nan 0.000 0.479 254 G N 2.560 111.421 108.800 0.102 0.000 2.283 254 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 254 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 254 G C 0.772 175.782 174.900 0.182 0.000 1.029 254 G CA 0.566 45.756 45.100 0.151 0.000 0.840 254 G HN 0.629 nan 8.290 nan 0.000 0.505 255 M N -1.185 118.475 119.600 0.100 0.000 2.571 255 M HA 0.521 5.001 4.480 -0.000 0.000 0.259 255 M C 1.127 177.368 176.300 -0.098 0.000 1.205 255 M CA 1.321 56.609 55.300 -0.020 0.000 1.138 255 M CB 0.511 33.096 32.600 -0.026 0.000 1.329 255 M HN 0.679 nan 8.290 nan 0.000 0.503 256 A N 0.544 123.316 122.820 -0.081 0.000 2.380 256 A HA 0.714 5.034 4.320 -0.000 0.000 0.315 256 A C -1.147 176.498 177.584 0.103 0.000 1.101 256 A CA -0.547 51.392 52.037 -0.162 0.000 0.771 256 A CB 1.870 20.399 19.000 -0.785 0.000 1.287 256 A HN 0.071 nan 8.150 nan 0.000 0.436 257 V N 1.529 121.551 119.914 0.179 0.000 2.709 257 V HA 0.495 4.615 4.120 -0.000 0.000 0.308 257 V C -1.076 175.077 176.094 0.099 0.000 1.062 257 V CA -0.522 61.875 62.300 0.162 0.000 0.901 257 V CB 1.741 33.673 31.823 0.181 0.000 1.003 257 V HN 0.901 nan 8.190 nan 0.000 0.425 258 L N 4.155 125.430 121.223 0.087 0.000 2.295 258 L HA 0.977 5.317 4.340 -0.000 0.000 0.285 258 L C 0.144 177.085 176.870 0.118 0.000 1.035 258 L CA 0.425 55.306 54.840 0.068 0.000 0.806 258 L CB 1.362 43.456 42.059 0.058 0.000 1.214 258 L HN 0.737 nan 8.230 nan 0.000 0.426 259 G N 5.678 114.549 108.800 0.118 0.000 2.701 259 G HA2 0.547 4.507 3.960 -0.000 0.000 0.300 259 G HA3 0.547 4.507 3.960 -0.000 0.000 0.300 259 G C -1.575 173.390 174.900 0.109 0.000 1.410 259 G CA -0.751 44.484 45.100 0.225 0.000 1.014 259 G HN 0.672 nan 8.290 nan 0.000 0.509 260 L N 1.405 122.649 121.223 0.034 0.000 2.334 260 L HA 0.612 4.952 4.340 -0.000 0.000 0.277 260 L C -0.460 176.243 176.870 -0.278 0.000 1.075 260 L CA -0.987 53.754 54.840 -0.165 0.000 0.804 260 L CB 1.708 43.672 42.059 -0.160 0.000 1.174 260 L HN 0.364 nan 8.230 nan 0.000 0.438 261 L N 1.386 122.323 121.223 -0.477 0.000 2.325 261 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 261 L C 0.775 177.423 176.870 -0.370 0.000 1.004 261 L CA 0.137 54.668 54.840 -0.515 0.000 0.823 261 L CB 1.674 43.210 42.059 -0.872 0.000 1.236 261 L HN 0.610 nan 8.230 nan 0.000 0.415 262 G N 4.825 113.464 108.800 -0.268 0.000 3.318 262 G HA2 0.086 4.046 3.960 -0.000 0.000 0.230 262 G HA3 0.086 4.046 3.960 -0.000 0.000 0.230 262 G C 0.170 174.967 174.900 -0.171 0.000 1.317 262 G CA -0.194 44.774 45.100 -0.220 0.000 1.197 262 G HN 0.506 nan 8.290 nan 0.000 0.514 263 L N 0.885 121.980 121.223 -0.213 0.000 2.439 263 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 263 L C 0.490 177.329 176.870 -0.053 0.000 1.179 263 L CA -0.367 54.386 54.840 -0.145 0.000 0.828 263 L CB 1.121 43.017 42.059 -0.272 0.000 1.106 263 L HN 0.035 nan 8.230 nan 0.000 0.467 264 A N 6.613 129.488 122.820 0.091 0.000 2.690 264 A HA 0.459 4.779 4.320 -0.000 0.000 0.342 264 A C 0.160 177.864 177.584 0.199 0.000 1.410 264 A CA -0.643 51.461 52.037 0.113 0.000 0.958 264 A CB -0.440 18.651 19.000 0.151 0.000 1.153 264 A HN 0.813 nan 8.150 nan 0.000 0.497 265 M N 0.453 120.123 119.600 0.117 0.000 2.243 265 M HA 0.052 4.532 4.480 -0.000 0.000 0.309 265 M C 1.254 177.668 176.300 0.190 0.000 1.050 265 M CA 0.604 56.029 55.300 0.208 0.000 1.139 265 M CB 0.335 32.999 32.600 0.107 0.000 1.457 265 M HN 0.675 nan 8.290 nan 0.000 0.440 266 R N 0.575 121.226 120.500 0.251 0.000 2.394 266 R HA 0.287 4.627 4.340 -0.000 0.000 0.220 266 R C -0.466 175.880 176.300 0.077 0.000 0.887 266 R CA 0.251 56.400 56.100 0.080 0.000 1.034 266 R CB 0.525 30.885 30.300 0.100 0.000 1.179 266 R HN 0.714 nan 8.270 nan 0.000 0.561 267 M N -0.348 119.341 119.600 0.148 0.000 2.492 267 M HA -0.108 4.372 4.480 -0.000 0.000 0.208 267 M C 0.426 176.895 176.300 0.282 0.000 0.467 267 M CA 0.977 56.344 55.300 0.111 0.000 0.554 267 M CB -2.442 30.113 32.600 -0.075 0.000 1.977 267 M HN 0.283 nan 8.290 nan 0.000 0.846 268 G N -0.550 108.426 108.800 0.293 0.000 3.383 268 G HA2 0.449 4.409 3.960 -0.000 0.000 0.251 268 G HA3 0.449 4.409 3.960 -0.000 0.000 0.251 268 G C 1.273 176.096 174.900 -0.129 0.000 1.203 268 G CA 0.858 46.163 45.100 0.341 0.000 0.852 268 G HN 1.123 nan 8.290 nan 0.000 0.531 269 G N 1.431 110.077 108.800 -0.257 0.000 2.698 269 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.346 269 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.346 269 G C -0.379 174.294 174.900 -0.378 0.000 1.287 269 G CA 0.844 45.607 45.100 -0.561 0.000 0.990 269 G HN 0.342 nan 8.290 nan 0.000 0.545 270 P HA -0.146 nan 4.420 nan 0.000 0.216 270 P C 2.068 179.269 177.300 -0.165 0.000 1.157 270 P CA 2.365 65.335 63.100 -0.216 0.000 0.880 270 P CB -0.201 31.412 31.700 -0.144 0.000 0.791 271 R N -0.359 120.037 120.500 -0.173 0.000 2.066 271 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 271 R C 2.364 178.589 176.300 -0.126 0.000 1.131 271 R CA 1.476 57.481 56.100 -0.159 0.000 0.955 271 R CB -0.961 29.228 30.300 -0.184 0.000 0.851 271 R HN 0.284 nan 8.270 nan 0.000 0.432 272 E N 1.234 121.391 120.200 -0.071 0.000 2.160 272 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 272 E C 1.910 178.340 176.600 -0.284 0.000 0.991 272 E CA 1.325 57.722 56.400 -0.004 0.000 0.810 272 E CB -0.030 29.691 29.700 0.036 0.000 0.742 272 E HN 0.376 nan 8.360 nan 0.000 0.466 273 A N 0.630 123.312 122.820 -0.231 0.000 1.877 273 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 273 A C 2.180 179.670 177.584 -0.156 0.000 1.186 273 A CA 1.500 53.382 52.037 -0.259 0.000 0.620 273 A CB -0.630 18.201 19.000 -0.283 0.000 0.822 273 A HN 0.351 nan 8.150 nan 0.000 0.443 274 I N -2.334 118.146 120.570 -0.149 0.000 2.127 274 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 274 I C 2.394 178.396 176.117 -0.191 0.000 1.075 274 I CA 1.678 62.872 61.300 -0.177 0.000 1.334 274 I CB -0.412 37.427 38.000 -0.269 0.000 1.040 274 I HN 0.681 nan 8.210 nan 0.000 0.405 275 W N 1.904 122.945 121.300 -0.431 0.000 2.304 275 W HA -0.269 4.391 4.660 -0.000 0.000 0.315 275 W C 2.664 178.999 176.519 -0.307 0.000 1.233 275 W CA 2.072 59.119 57.345 -0.497 0.000 1.261 275 W CB -1.041 28.154 29.460 -0.442 0.000 1.150 275 W HN 0.262 nan 8.180 nan 0.000 0.494 276 H N -1.074 117.838 119.070 -0.264 0.000 2.387 276 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 276 H C 2.303 177.151 175.328 -0.801 0.000 1.090 276 H CA 1.134 56.884 56.048 -0.496 0.000 1.332 276 H CB -0.363 29.297 29.762 -0.172 0.000 1.386 276 H HN 0.194 nan 8.280 nan 0.000 0.516 277 A N 1.056 123.548 122.820 -0.548 0.000 1.902 277 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 277 A C 2.377 179.737 177.584 -0.373 0.000 1.181 277 A CA 1.275 52.992 52.037 -0.533 0.000 0.623 277 A CB -0.625 18.265 19.000 -0.183 0.000 0.818 277 A HN 0.303 nan 8.150 nan 0.000 0.443 278 I N -0.305 120.052 120.570 -0.355 0.000 2.179 278 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 278 I C 2.311 178.316 176.117 -0.187 0.000 1.088 278 I CA 1.455 62.539 61.300 -0.360 0.000 1.357 278 I CB -0.345 37.372 38.000 -0.472 0.000 1.051 278 I HN 0.313 nan 8.210 nan 0.000 0.409 279 I N 0.163 120.621 120.570 -0.188 0.000 2.179 279 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 279 I C 2.631 178.788 176.117 0.066 0.000 1.088 279 I CA 1.276 62.565 61.300 -0.017 0.000 1.357 279 I CB -0.381 37.547 38.000 -0.120 0.000 1.051 279 I HN 0.119 nan 8.210 nan 0.000 0.409 280 R N 0.904 121.310 120.500 -0.157 0.000 2.115 280 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 280 R C 2.155 178.454 176.300 -0.000 0.000 1.111 280 R CA 1.105 57.140 56.100 -0.108 0.000 0.976 280 R CB -0.441 29.674 30.300 -0.308 0.000 0.870 280 R HN 0.301 nan 8.270 nan 0.000 0.445 281 K N 0.293 120.668 120.400 -0.043 0.000 2.026 281 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 281 K C 1.414 178.046 176.600 0.053 0.000 1.048 281 K CA 1.544 57.839 56.287 0.013 0.000 0.929 281 K CB -0.042 32.450 32.500 -0.013 0.000 0.713 281 K HN 0.112 nan 8.250 nan 0.000 0.439 282 N N 0.578 119.306 118.700 0.048 0.000 2.149 282 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 282 N C 1.377 176.842 175.510 -0.074 0.000 1.019 282 N CA 1.333 54.389 53.050 0.009 0.000 0.857 282 N CB -0.414 38.079 38.487 0.010 0.000 0.997 282 N HN 0.394 nan 8.380 nan 0.000 0.426 283 H N -0.822 118.246 119.070 -0.003 0.000 2.556 283 H HA 0.190 4.746 4.556 -0.000 0.000 0.268 283 H C 1.295 176.638 175.328 0.025 0.000 0.996 283 H CA 0.789 56.816 56.048 -0.035 0.000 1.157 283 H CB -0.067 29.632 29.762 -0.105 0.000 1.355 283 H HN 0.374 nan 8.280 nan 0.000 0.597 284 G N -0.722 108.180 108.800 0.170 0.000 2.144 284 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 284 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 284 G C 0.309 175.396 174.900 0.312 0.000 0.988 284 G CA -0.036 45.219 45.100 0.259 0.000 0.659 284 G HN 0.642 nan 8.290 nan 0.000 0.522 285 A N 0.368 123.318 122.820 0.218 0.000 2.363 285 A HA 0.736 5.056 4.320 -0.000 0.000 0.270 285 A C 1.569 179.211 177.584 0.097 0.000 1.121 285 A CA 1.183 53.299 52.037 0.131 0.000 0.800 285 A CB 0.524 19.599 19.000 0.124 0.000 1.052 285 A HN 1.429 nan 8.150 nan 0.000 0.493 286 T N -0.126 114.486 114.554 0.096 0.000 3.014 286 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 286 T C 0.512 175.223 174.700 0.019 0.000 1.078 286 T CA 1.206 63.353 62.100 0.080 0.000 1.135 286 T CB -0.343 68.607 68.868 0.138 0.000 0.895 286 T HN 0.734 nan 8.240 nan 0.000 0.480 287 H N -0.587 118.513 119.070 0.050 0.000 2.928 287 H HA 0.692 5.248 4.556 -0.000 0.000 0.371 287 H C -1.862 173.600 175.328 0.223 0.000 1.186 287 H CA -1.619 54.491 56.048 0.103 0.000 1.134 287 H CB 1.528 31.322 29.762 0.053 0.000 1.824 287 H HN 0.195 nan 8.280 nan 0.000 0.554 288 F N 1.533 121.592 119.950 0.182 0.000 2.607 288 F HA 0.460 4.987 4.527 -0.000 0.000 0.322 288 F C -1.522 174.384 175.800 0.177 0.000 1.176 288 F CA -0.786 57.304 58.000 0.150 0.000 0.977 288 F CB 0.875 39.933 39.000 0.097 0.000 1.242 288 F HN 0.471 nan 8.300 nan 0.000 0.465 289 I N 6.312 126.655 120.570 -0.378 0.000 2.588 289 I HA 0.361 4.530 4.170 -0.000 0.000 0.283 289 I C -0.651 175.192 176.117 -0.457 0.000 1.119 289 I CA -0.385 60.791 61.300 -0.208 0.000 1.419 289 I CB 0.944 39.039 38.000 0.160 0.000 1.394 289 I HN 0.326 nan 8.210 nan 0.000 0.562 290 V N 5.723 125.571 119.914 -0.110 0.000 2.569 290 V HA 0.647 4.767 4.120 -0.000 0.000 0.301 290 V C 0.375 176.565 176.094 0.160 0.000 1.044 290 V CA -0.420 61.852 62.300 -0.046 0.000 0.874 290 V CB 1.339 33.062 31.823 -0.166 0.000 1.002 290 V HN 0.959 nan 8.190 nan 0.000 0.424 291 G N 3.270 112.213 108.800 0.238 0.000 3.212 291 G HA2 0.513 4.473 3.960 -0.000 0.000 0.188 291 G HA3 0.513 4.473 3.960 -0.000 0.000 0.188 291 G C -0.455 174.503 174.900 0.097 0.000 1.254 291 G CA -0.931 44.316 45.100 0.246 0.000 0.957 291 G HN 0.679 nan 8.290 nan 0.000 0.596 292 R N 0.215 120.709 120.500 -0.009 0.000 2.491 292 R HA 0.161 4.501 4.340 -0.000 0.000 0.283 292 R C -0.392 175.819 176.300 -0.148 0.000 1.072 292 R CA 0.419 56.319 56.100 -0.333 0.000 1.048 292 R CB 0.050 30.160 30.300 -0.317 0.000 0.983 292 R HN 0.558 nan 8.270 nan 0.000 0.450 293 D N 1.762 122.051 120.400 -0.184 0.000 2.911 293 D HA -0.236 4.404 4.640 -0.000 0.000 0.227 293 D C -0.536 175.803 176.300 0.065 0.000 1.164 293 D CA 1.222 55.209 54.000 -0.022 0.000 0.782 293 D CB -1.228 39.576 40.800 0.006 0.000 1.094 293 D HN 0.751 nan 8.370 nan 0.000 0.425 294 H N -0.295 118.751 119.070 -0.040 0.000 3.140 294 H HA 0.170 4.726 4.556 -0.000 0.000 0.316 294 H C 1.399 176.721 175.328 -0.010 0.000 0.986 294 H CA 1.370 57.411 56.048 -0.012 0.000 1.397 294 H CB 0.401 30.156 29.762 -0.012 0.000 1.377 294 H HN 0.271 nan 8.280 nan 0.000 0.585 295 A N 2.883 125.699 122.820 -0.006 0.000 2.765 295 A HA -0.204 4.116 4.320 -0.000 0.000 0.286 295 A C 1.020 178.651 177.584 0.078 0.000 1.457 295 A CA 1.133 53.208 52.037 0.064 0.000 0.899 295 A CB -2.022 17.063 19.000 0.142 0.000 0.983 295 A HN 1.033 nan 8.150 nan 0.000 0.584 296 G N -0.721 108.138 108.800 0.099 0.000 2.395 296 G HA2 0.548 4.508 3.960 -0.000 0.000 0.283 296 G HA3 0.548 4.508 3.960 -0.000 0.000 0.283 296 G C -1.161 173.799 174.900 0.100 0.000 1.178 296 G CA -0.693 44.526 45.100 0.198 0.000 0.837 296 G HN 0.330 nan 8.290 nan 0.000 0.518 297 P HA 0.212 nan 4.420 nan 0.000 0.254 297 P C 1.119 178.451 177.300 0.054 0.000 1.620 297 P CA 0.631 63.650 63.100 -0.135 0.000 1.050 297 P CB 0.289 31.663 31.700 -0.543 0.000 1.539 298 G N 1.261 110.180 108.800 0.199 0.000 2.527 298 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.262 298 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.262 298 G C -0.296 174.813 174.900 0.349 0.000 1.153 298 G CA 0.217 45.464 45.100 0.245 0.000 0.954 298 G HN 0.695 nan 8.290 nan 0.000 0.552 299 S N 0.293 116.125 115.700 0.219 0.000 2.570 299 S HA 0.689 5.159 4.470 -0.000 0.000 0.286 299 S C -0.032 174.442 174.600 -0.211 0.000 1.099 299 S CA 0.321 58.451 58.200 -0.117 0.000 0.913 299 S CB 2.064 65.216 63.200 -0.080 0.000 1.085 299 S HN 1.824 nan 8.310 nan 0.000 0.480 300 N N 0.865 119.183 118.700 -0.636 0.000 2.332 300 N HA 0.264 5.004 4.740 -0.000 0.000 0.282 300 N C 1.175 176.613 175.510 -0.120 0.000 1.288 300 N CA 0.079 52.922 53.050 -0.345 0.000 0.949 300 N CB -0.218 38.006 38.487 -0.438 0.000 1.108 300 N HN 0.546 nan 8.380 nan 0.000 0.542 301 S N -1.944 113.723 115.700 -0.056 0.000 2.368 301 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 301 S C 1.793 176.368 174.600 -0.042 0.000 1.029 301 S CA 1.500 59.684 58.200 -0.026 0.000 0.988 301 S CB -0.977 62.221 63.200 -0.003 0.000 0.838 301 S HN 0.761 nan 8.310 nan 0.000 0.462 302 K N 0.538 120.901 120.400 -0.062 0.000 2.632 302 K HA 0.362 4.681 4.320 -0.000 0.000 0.196 302 K C 1.383 177.942 176.600 -0.068 0.000 1.023 302 K CA 0.996 57.250 56.287 -0.055 0.000 1.098 302 K CB -1.910 30.556 32.500 -0.056 0.000 0.862 302 K HN 1.073 nan 8.250 nan 0.000 0.504 303 G N -1.886 106.867 108.800 -0.079 0.000 2.189 303 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.267 303 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.267 303 G C 0.352 175.190 174.900 -0.104 0.000 0.975 303 G CA 1.055 46.111 45.100 -0.074 0.000 0.644 303 G HN 1.444 nan 8.290 nan 0.000 0.537 304 E N 0.939 121.045 120.200 -0.156 0.000 2.259 304 E HA 0.515 4.865 4.350 -0.000 0.000 0.281 304 E C 0.061 176.479 176.600 -0.303 0.000 1.037 304 E CA 0.046 56.339 56.400 -0.177 0.000 0.854 304 E CB 0.170 29.772 29.700 -0.163 0.000 1.051 304 E HN 0.765 nan 8.360 nan 0.000 0.409 305 D N 0.951 121.230 120.400 -0.201 0.000 2.277 305 D HA 0.304 4.944 4.640 -0.000 0.000 0.249 305 D C 0.262 176.442 176.300 -0.199 0.000 1.134 305 D CA -0.752 53.120 54.000 -0.214 0.000 0.863 305 D CB 0.571 41.361 40.800 -0.017 0.000 1.143 305 D HN 0.378 nan 8.370 nan 0.000 0.458 306 F N 1.032 120.895 119.950 -0.144 0.000 2.082 306 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 306 F C 0.555 176.057 175.800 -0.497 0.000 1.091 306 F CA 1.426 59.204 58.000 -0.370 0.000 1.230 306 F CB -0.860 37.806 39.000 -0.557 0.000 0.983 306 F HN 0.378 nan 8.300 nan 0.000 0.485 307 Y N -1.854 118.615 120.300 0.282 0.000 2.634 307 Y HA 0.630 5.179 4.550 -0.000 0.000 0.340 307 Y C 0.652 176.628 175.900 0.128 0.000 1.058 307 Y CA -1.557 56.655 58.100 0.187 0.000 1.081 307 Y CB 0.840 39.405 38.460 0.175 0.000 1.295 307 Y HN -0.165 nan 8.280 nan 0.000 0.487 308 G N 0.668 109.630 108.800 0.270 0.000 2.477 308 G HA2 0.587 4.547 3.960 -0.000 0.000 0.304 308 G HA3 0.587 4.547 3.960 -0.000 0.000 0.304 308 G C -2.942 172.037 174.900 0.132 0.000 1.175 308 G CA -1.842 43.366 45.100 0.181 0.000 0.907 308 G HN 0.242 nan 8.290 nan 0.000 0.509 309 P HA 0.116 nan 4.420 nan 0.000 0.271 309 P C -0.470 176.773 177.300 -0.095 0.000 1.233 309 P CA 0.187 63.195 63.100 -0.153 0.000 0.789 309 P CB 0.104 31.700 31.700 -0.173 0.000 0.951 310 Y N -1.895 118.398 120.300 -0.010 0.000 4.861 310 Y HA -0.355 4.195 4.550 -0.000 0.000 0.239 310 Y C 1.562 177.206 175.900 -0.427 0.000 0.985 310 Y CA 1.323 59.324 58.100 -0.165 0.000 1.970 310 Y CB -2.602 35.769 38.460 -0.147 0.000 1.490 310 Y HN 0.325 nan 8.280 nan 0.000 0.521 311 D N 0.324 120.655 120.400 -0.115 0.000 2.104 311 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 311 D C 2.196 178.445 176.300 -0.085 0.000 0.994 311 D CA 1.617 55.573 54.000 -0.073 0.000 0.830 311 D CB -0.544 40.326 40.800 0.117 0.000 0.959 311 D HN 0.556 nan 8.370 nan 0.000 0.452 312 A N 0.705 123.479 122.820 -0.077 0.000 1.978 312 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 312 A C 2.065 179.608 177.584 -0.068 0.000 1.170 312 A CA 1.510 53.498 52.037 -0.082 0.000 0.636 312 A CB -0.589 18.354 19.000 -0.096 0.000 0.810 312 A HN 0.282 nan 8.150 nan 0.000 0.448 313 Q N -1.264 118.480 119.800 -0.094 0.000 2.167 313 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 313 Q C 1.838 177.871 176.000 0.055 0.000 0.970 313 Q CA 1.615 57.400 55.803 -0.030 0.000 0.855 313 Q CB -0.301 28.442 28.738 0.009 0.000 0.911 313 Q HN 0.916 nan 8.270 nan 0.000 0.438 314 H N 0.163 119.283 119.070 0.083 0.000 2.299 314 H HA -0.047 4.509 4.556 -0.000 0.000 0.302 314 H C 2.249 177.617 175.328 0.068 0.000 1.078 314 H CA 0.657 56.746 56.048 0.068 0.000 1.323 314 H CB 0.018 29.823 29.762 0.073 0.000 1.381 314 H HN 0.295 nan 8.280 nan 0.000 0.498 315 A N 0.729 123.665 122.820 0.193 0.000 1.865 315 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 315 A C 2.508 180.218 177.584 0.210 0.000 1.191 315 A CA 1.779 53.923 52.037 0.178 0.000 0.623 315 A CB -1.095 17.971 19.000 0.110 0.000 0.826 315 A HN 0.314 nan 8.150 nan 0.000 0.444 316 V N 0.093 120.082 119.914 0.125 0.000 2.720 316 V HA -0.200 3.920 4.120 -0.000 0.000 0.256 316 V C 2.387 178.579 176.094 0.165 0.000 1.082 316 V CA 2.791 65.167 62.300 0.128 0.000 1.101 316 V CB -0.387 31.472 31.823 0.060 0.000 0.693 316 V HN 0.765 nan 8.190 nan 0.000 0.479 317 E N 0.840 121.125 120.200 0.142 0.000 2.046 317 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 317 E C 2.105 178.742 176.600 0.062 0.000 0.982 317 E CA 1.594 58.056 56.400 0.103 0.000 0.800 317 E CB -0.450 29.315 29.700 0.108 0.000 0.756 317 E HN 0.489 nan 8.360 nan 0.000 0.449 318 K N -0.554 119.868 120.400 0.037 0.000 2.242 318 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 318 K C 0.471 176.820 176.600 -0.418 0.000 1.045 318 K CA 1.536 57.706 56.287 -0.195 0.000 0.930 318 K CB -0.375 31.968 32.500 -0.262 0.000 0.726 318 K HN 0.331 nan 8.250 nan 0.000 0.462 319 Y N -1.135 119.179 120.300 0.022 0.000 2.720 319 Y HA 0.288 4.838 4.550 -0.000 0.000 0.268 319 Y C 1.677 177.592 175.900 0.026 0.000 1.142 319 Y CA 0.204 58.319 58.100 0.024 0.000 1.193 319 Y CB -0.255 38.220 38.460 0.025 0.000 1.176 319 Y HN 0.032 nan 8.280 nan 0.000 0.542 320 K N 0.216 120.680 120.400 0.107 0.000 2.144 320 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 320 K C 1.385 178.028 176.600 0.071 0.000 1.047 320 K CA 2.493 58.827 56.287 0.079 0.000 0.927 320 K CB -0.749 31.776 32.500 0.041 0.000 0.716 320 K HN 0.355 nan 8.250 nan 0.000 0.454 321 D N -0.487 119.950 120.400 0.061 0.000 2.277 321 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 321 D C 1.526 177.874 176.300 0.080 0.000 0.962 321 D CA 0.970 55.002 54.000 0.053 0.000 0.865 321 D CB 0.298 41.114 40.800 0.027 0.000 0.939 321 D HN 0.749 nan 8.370 nan 0.000 0.510 322 E N -0.318 119.962 120.200 0.134 0.000 2.389 322 E HA 0.147 4.497 4.350 -0.000 0.000 0.199 322 E C 0.346 177.061 176.600 0.192 0.000 0.978 322 E CA -0.064 56.436 56.400 0.166 0.000 0.912 322 E CB 0.794 30.634 29.700 0.233 0.000 0.907 322 E HN 0.140 nan 8.360 nan 0.000 0.494 323 L N 1.458 122.780 121.223 0.165 0.000 2.278 323 L HA 0.281 4.621 4.340 -0.000 0.000 0.287 323 L C 0.946 177.873 176.870 0.094 0.000 1.072 323 L CA -0.531 54.380 54.840 0.117 0.000 0.819 323 L CB 0.969 43.065 42.059 0.060 0.000 1.176 323 L HN 0.042 nan 8.230 nan 0.000 0.435 324 G N 5.323 114.192 108.800 0.115 0.000 3.471 324 G HA2 0.330 4.290 3.960 -0.000 0.000 0.254 324 G HA3 0.330 4.290 3.960 -0.000 0.000 0.254 324 G C -0.152 174.765 174.900 0.029 0.000 1.199 324 G CA 0.156 45.299 45.100 0.072 0.000 1.683 324 G HN 0.559 nan 8.290 nan 0.000 0.625 325 I N -1.829 118.747 120.570 0.009 0.000 2.743 325 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 325 I C -1.050 175.053 176.117 -0.023 0.000 1.343 325 I CA -0.894 60.395 61.300 -0.019 0.000 1.038 325 I CB 2.332 40.337 38.000 0.009 0.000 1.311 325 I HN 0.038 nan 8.210 nan 0.000 0.426 326 E N 6.050 126.172 120.200 -0.129 0.000 2.217 326 E HA 0.281 4.631 4.350 -0.000 0.000 0.279 326 E C -0.993 175.647 176.600 0.067 0.000 1.068 326 E CA -0.436 55.903 56.400 -0.100 0.000 0.882 326 E CB 1.075 30.578 29.700 -0.328 0.000 1.039 326 E HN 0.469 nan 8.360 nan 0.000 0.418 327 V N 4.831 124.803 119.914 0.096 0.000 2.637 327 V HA 0.049 4.169 4.120 -0.000 0.000 0.296 327 V C 0.086 176.230 176.094 0.083 0.000 1.046 327 V CA -0.242 62.134 62.300 0.126 0.000 1.066 327 V CB 1.447 33.331 31.823 0.101 0.000 0.968 327 V HN 0.425 nan 8.190 nan 0.000 0.483 328 V N 5.423 125.376 119.914 0.066 0.000 2.350 328 V HA 0.358 4.478 4.120 -0.000 0.000 0.285 328 V C 0.104 176.154 176.094 -0.074 0.000 1.014 328 V CA -0.666 61.624 62.300 -0.017 0.000 0.831 328 V CB 1.306 33.148 31.823 0.032 0.000 1.000 328 V HN 0.937 nan 8.190 nan 0.000 0.433 329 E N 3.798 123.897 120.200 -0.168 0.000 2.283 329 E HA 0.712 5.062 4.350 -0.000 0.000 0.267 329 E C -1.427 174.984 176.600 -0.315 0.000 1.045 329 E CA -0.372 55.966 56.400 -0.103 0.000 0.884 329 E CB 1.845 31.523 29.700 -0.037 0.000 1.106 329 E HN 0.500 nan 8.360 nan 0.000 0.408 330 F N 0.192 120.212 119.950 0.115 0.000 2.641 330 F HA 0.189 4.716 4.527 -0.000 0.000 0.308 330 F C -0.234 175.701 175.800 0.225 0.000 1.105 330 F CA -1.047 57.029 58.000 0.127 0.000 0.964 330 F CB 1.965 41.029 39.000 0.108 0.000 1.294 330 F HN 0.163 nan 8.300 nan 0.000 0.442 331 Q N 1.804 121.864 119.800 0.432 0.000 2.215 331 Q HA 0.412 4.752 4.340 -0.000 0.000 0.256 331 Q C -0.271 175.967 176.000 0.396 0.000 0.972 331 Q CA -1.245 54.838 55.803 0.466 0.000 0.889 331 Q CB 1.942 30.793 28.738 0.189 0.000 1.281 331 Q HN 0.816 nan 8.270 nan 0.000 0.456 332 M N 1.129 120.967 119.600 0.398 0.000 2.234 332 M HA -0.090 4.390 4.480 -0.000 0.000 0.409 332 M C -1.166 175.243 176.300 0.182 0.000 1.378 332 M CA 0.447 55.887 55.300 0.233 0.000 0.815 332 M CB 0.084 32.818 32.600 0.223 0.000 1.971 332 M HN 0.281 nan 8.290 nan 0.000 0.506 333 V N 6.495 126.480 119.914 0.118 0.000 2.539 333 V HA 0.685 4.805 4.120 -0.000 0.000 0.292 333 V C 0.284 176.465 176.094 0.145 0.000 1.045 333 V CA -0.162 62.204 62.300 0.109 0.000 0.945 333 V CB 1.706 33.539 31.823 0.016 0.000 0.993 333 V HN 1.071 nan 8.190 nan 0.000 0.464 334 T N 2.076 116.733 114.554 0.171 0.000 2.804 334 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 334 T C -1.347 173.442 174.700 0.149 0.000 1.099 334 T CA -0.630 61.581 62.100 0.184 0.000 1.011 334 T CB 1.552 70.478 68.868 0.097 0.000 1.291 334 T HN 0.384 nan 8.240 nan 0.000 0.523 335 Y N 1.261 121.495 120.300 -0.110 0.000 2.328 335 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 335 Y C -0.979 174.676 175.900 -0.409 0.000 1.008 335 Y CA -1.817 56.014 58.100 -0.449 0.000 1.129 335 Y CB 0.561 38.739 38.460 -0.470 0.000 1.185 335 Y HN 0.497 nan 8.280 nan 0.000 0.476 336 L N 10.012 130.635 121.223 -1.000 0.000 2.272 336 L HA 0.305 4.645 4.340 -0.000 0.000 0.284 336 L C -1.860 174.302 176.870 -1.182 0.000 1.045 336 L CA -1.826 52.532 54.840 -0.802 0.000 0.842 336 L CB 1.190 42.974 42.059 -0.458 0.000 1.224 336 L HN 0.533 nan 8.230 nan 0.000 0.430 337 P HA -0.184 nan 4.420 nan 0.000 0.214 337 P C 0.837 177.869 177.300 -0.446 0.000 1.163 337 P CA 1.264 63.875 63.100 -0.816 0.000 0.889 337 P CB 0.290 31.694 31.700 -0.493 0.000 0.790 338 D N -1.375 118.825 120.400 -0.334 0.000 2.182 338 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 338 D C 1.496 177.688 176.300 -0.179 0.000 0.986 338 D CA 1.563 55.440 54.000 -0.205 0.000 0.847 338 D CB -0.718 39.983 40.800 -0.165 0.000 0.942 338 D HN 0.278 nan 8.370 nan 0.000 0.467 339 T N -0.753 113.661 114.554 -0.232 0.000 3.014 339 T HA 0.009 4.359 4.350 -0.000 0.000 0.250 339 T C 0.198 174.809 174.700 -0.150 0.000 1.060 339 T CA 0.117 62.119 62.100 -0.163 0.000 1.040 339 T CB 0.432 69.208 68.868 -0.154 0.000 0.971 339 T HN -0.023 nan 8.240 nan 0.000 0.497 340 D N 2.488 122.727 120.400 -0.268 0.000 3.133 340 D HA -0.148 4.492 4.640 -0.000 0.000 0.239 340 D C -0.187 176.092 176.300 -0.036 0.000 1.136 340 D CA 0.952 54.886 54.000 -0.111 0.000 0.898 340 D CB -1.013 39.838 40.800 0.085 0.000 0.959 340 D HN 0.821 nan 8.370 nan 0.000 0.415 341 E N -0.219 119.833 120.200 -0.246 0.000 2.416 341 E HA 0.548 4.898 4.350 -0.000 0.000 0.280 341 E C -1.286 175.167 176.600 -0.245 0.000 1.055 341 E CA -1.089 55.270 56.400 -0.068 0.000 0.825 341 E CB 0.673 30.367 29.700 -0.010 0.000 1.312 341 E HN 0.064 nan 8.360 nan 0.000 0.452 342 Y N 0.092 120.445 120.300 0.088 0.000 2.468 342 Y HA 0.700 5.250 4.550 -0.000 0.000 0.342 342 Y C 0.199 176.122 175.900 0.038 0.000 1.021 342 Y CA -0.765 57.385 58.100 0.083 0.000 1.079 342 Y CB 2.037 40.547 38.460 0.085 0.000 1.226 342 Y HN 0.736 nan 8.280 nan 0.000 0.460 343 R N 0.116 120.718 120.500 0.170 0.000 2.712 343 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 343 R C -3.570 172.807 176.300 0.129 0.000 1.032 343 R CA -2.267 53.912 56.100 0.131 0.000 0.874 343 R CB 1.217 31.564 30.300 0.078 0.000 1.256 343 R HN 0.237 nan 8.270 nan 0.000 0.468 344 P HA -0.008 nan 4.420 nan 0.000 0.271 344 P C 1.138 178.501 177.300 0.104 0.000 1.218 344 P CA -0.526 62.670 63.100 0.161 0.000 0.780 344 P CB 0.803 32.621 31.700 0.196 0.000 0.901 345 V N 0.393 120.370 119.914 0.105 0.000 2.255 345 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 345 V C 1.592 177.710 176.094 0.040 0.000 1.051 345 V CA 2.379 64.721 62.300 0.069 0.000 1.018 345 V CB -1.894 29.980 31.823 0.084 0.000 0.641 345 V HN 0.540 nan 8.190 nan 0.000 0.445 346 D N 0.305 120.724 120.400 0.032 0.000 2.417 346 D HA -0.234 4.406 4.640 -0.000 0.000 0.225 346 D C 1.719 178.023 176.300 0.006 0.000 0.983 346 D CA 1.289 55.291 54.000 0.005 0.000 0.949 346 D CB -0.646 40.140 40.800 -0.023 0.000 0.879 346 D HN 0.715 nan 8.370 nan 0.000 0.520 347 Q N -0.373 119.438 119.800 0.019 0.000 2.179 347 Q HA 0.250 4.590 4.340 -0.000 0.000 0.213 347 Q C -0.572 175.429 176.000 0.002 0.000 0.833 347 Q CA -0.196 55.614 55.803 0.012 0.000 0.990 347 Q CB 1.718 30.472 28.738 0.026 0.000 1.132 347 Q HN 0.115 nan 8.270 nan 0.000 0.493 348 V N 2.739 122.653 119.914 -0.001 0.000 2.357 348 V HA 0.299 4.419 4.120 -0.000 0.000 0.284 348 V C -2.120 173.963 176.094 -0.018 0.000 1.018 348 V CA -1.895 60.396 62.300 -0.016 0.000 0.841 348 V CB 1.134 32.945 31.823 -0.019 0.000 0.991 348 V HN 0.114 nan 8.190 nan 0.000 0.437 349 P HA 0.126 nan 4.420 nan 0.000 0.267 349 P C 0.738 178.024 177.300 -0.024 0.000 1.200 349 P CA -0.075 63.011 63.100 -0.024 0.000 0.772 349 P CB 0.750 32.432 31.700 -0.029 0.000 0.855 350 A N 2.585 125.393 122.820 -0.019 0.000 2.121 350 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 350 A C 2.209 179.779 177.584 -0.024 0.000 1.154 350 A CA 1.738 53.764 52.037 -0.018 0.000 0.679 350 A CB -1.375 17.617 19.000 -0.013 0.000 0.795 350 A HN 0.672 nan 8.150 nan 0.000 0.458 351 G N -0.176 108.607 108.800 -0.028 0.000 2.421 351 G HA2 0.046 4.006 3.960 -0.000 0.000 0.216 351 G HA3 0.046 4.006 3.960 -0.000 0.000 0.216 351 G C 0.789 175.662 174.900 -0.044 0.000 1.171 351 G CA 0.926 46.006 45.100 -0.033 0.000 0.775 351 G HN 0.325 nan 8.290 nan 0.000 0.543 352 V N 0.970 120.852 119.914 -0.053 0.000 2.843 352 V HA 0.154 4.274 4.120 -0.000 0.000 0.305 352 V C 0.626 176.671 176.094 -0.082 0.000 1.065 352 V CA -0.438 61.818 62.300 -0.074 0.000 1.116 352 V CB 1.374 33.145 31.823 -0.086 0.000 0.968 352 V HN 0.296 nan 8.190 nan 0.000 0.487 353 K N 2.910 123.246 120.400 -0.107 0.000 2.205 353 K HA 0.422 4.742 4.320 -0.000 0.000 0.279 353 K C -0.221 176.281 176.600 -0.163 0.000 1.027 353 K CA -0.307 55.909 56.287 -0.118 0.000 0.932 353 K CB 1.124 33.550 32.500 -0.124 0.000 1.032 353 K HN 0.956 nan 8.250 nan 0.000 0.466 354 T N 2.168 116.642 114.554 -0.134 0.000 2.812 354 T HA 0.427 4.777 4.350 -0.000 0.000 0.282 354 T C -0.103 174.514 174.700 -0.137 0.000 0.990 354 T CA -0.931 61.081 62.100 -0.148 0.000 0.960 354 T CB 0.851 69.677 68.868 -0.070 0.000 0.948 354 T HN 0.422 nan 8.240 nan 0.000 0.438 355 L N 3.123 124.214 121.223 -0.220 0.000 2.309 355 L HA 0.681 5.021 4.340 -0.000 0.000 0.282 355 L C -0.106 176.777 176.870 0.021 0.000 1.036 355 L CA -0.764 53.946 54.840 -0.217 0.000 0.806 355 L CB 1.547 43.202 42.059 -0.674 0.000 1.220 355 L HN 0.859 nan 8.230 nan 0.000 0.429 356 N N 3.122 121.953 118.700 0.219 0.000 2.371 356 N HA 0.433 5.173 4.740 -0.000 0.000 0.280 356 N C -1.608 174.071 175.510 0.282 0.000 1.084 356 N CA -0.466 52.802 53.050 0.363 0.000 0.892 356 N CB 1.590 40.207 38.487 0.217 0.000 1.653 356 N HN 0.449 nan 8.380 nan 0.000 0.480 357 I N 2.523 123.196 120.570 0.172 0.000 2.330 357 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 357 I C 0.596 176.645 176.117 -0.113 0.000 1.001 357 I CA -0.628 60.553 61.300 -0.199 0.000 1.193 357 I CB 1.398 38.836 38.000 -0.937 0.000 1.345 357 I HN 0.693 nan 8.210 nan 0.000 0.461 358 S N 4.171 119.841 115.700 -0.050 0.000 2.634 358 S HA 0.258 4.728 4.470 -0.000 0.000 0.261 358 S C 1.399 175.995 174.600 -0.007 0.000 1.271 358 S CA -0.094 58.113 58.200 0.011 0.000 0.985 358 S CB 1.327 64.539 63.200 0.021 0.000 0.968 358 S HN 0.775 nan 8.310 nan 0.000 0.568 359 G N 0.255 109.083 108.800 0.046 0.000 2.440 359 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 359 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 359 G C 1.278 176.185 174.900 0.012 0.000 1.154 359 G CA 1.278 46.409 45.100 0.051 0.000 0.767 359 G HN 0.724 nan 8.290 nan 0.000 0.552 360 T N 0.389 114.947 114.554 0.005 0.000 2.777 360 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 360 T C 2.246 176.925 174.700 -0.034 0.000 1.040 360 T CA 1.612 63.708 62.100 -0.007 0.000 1.141 360 T CB -0.117 68.751 68.868 0.001 0.000 0.868 360 T HN 0.386 nan 8.240 nan 0.000 0.444 361 E N 0.920 121.087 120.200 -0.056 0.000 2.110 361 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 361 E C 1.939 178.460 176.600 -0.132 0.000 0.988 361 E CA 0.733 57.078 56.400 -0.092 0.000 0.804 361 E CB -0.544 29.086 29.700 -0.117 0.000 0.745 361 E HN 0.308 nan 8.360 nan 0.000 0.458 362 L N 0.761 121.893 121.223 -0.152 0.000 2.005 362 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 362 L C 2.164 178.985 176.870 -0.082 0.000 1.072 362 L CA 1.860 56.603 54.840 -0.161 0.000 0.744 362 L CB -0.500 41.482 42.059 -0.129 0.000 0.895 362 L HN 0.022 nan 8.230 nan 0.000 0.433 363 R N -1.009 119.465 120.500 -0.043 0.000 2.152 363 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 363 R C 2.429 178.707 176.300 -0.037 0.000 1.117 363 R CA 1.215 57.300 56.100 -0.025 0.000 0.981 363 R CB -0.376 29.919 30.300 -0.007 0.000 0.870 363 R HN 0.369 nan 8.270 nan 0.000 0.451 364 R N 0.963 121.435 120.500 -0.046 0.000 2.075 364 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 364 R C 2.076 178.343 176.300 -0.054 0.000 1.126 364 R CA 1.263 57.336 56.100 -0.045 0.000 0.963 364 R CB 0.089 30.363 30.300 -0.043 0.000 0.858 364 R HN 0.188 nan 8.270 nan 0.000 0.435 365 R N 0.195 120.652 120.500 -0.071 0.000 2.090 365 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 365 R C 2.418 178.682 176.300 -0.061 0.000 1.110 365 R CA 0.875 56.931 56.100 -0.073 0.000 0.973 365 R CB -0.313 29.921 30.300 -0.109 0.000 0.869 365 R HN 0.260 nan 8.270 nan 0.000 0.440 366 L N 0.485 121.674 121.223 -0.057 0.000 2.046 366 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 366 L C 2.835 179.682 176.870 -0.039 0.000 1.077 366 L CA 1.346 56.162 54.840 -0.041 0.000 0.747 366 L CB -0.413 41.631 42.059 -0.026 0.000 0.896 366 L HN 0.160 nan 8.230 nan 0.000 0.432 367 R N 0.186 120.659 120.500 -0.044 0.000 2.152 367 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 367 R C 2.249 178.506 176.300 -0.072 0.000 1.117 367 R CA 1.684 57.749 56.100 -0.058 0.000 0.981 367 R CB -0.041 30.225 30.300 -0.057 0.000 0.870 367 R HN 0.409 nan 8.270 nan 0.000 0.451 368 S N -2.017 113.648 115.700 -0.059 0.000 2.524 368 S HA 0.217 4.687 4.470 -0.000 0.000 0.215 368 S C 1.288 175.865 174.600 -0.038 0.000 0.986 368 S CA 0.250 58.417 58.200 -0.054 0.000 0.911 368 S CB 0.860 64.033 63.200 -0.045 0.000 0.805 368 S HN 0.572 nan 8.310 nan 0.000 0.501 369 G N 1.134 109.915 108.800 -0.033 0.000 2.179 369 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.260 369 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.260 369 G C 0.402 175.299 174.900 -0.006 0.000 0.977 369 G CA 0.033 45.122 45.100 -0.018 0.000 0.641 369 G HN 1.358 nan 8.290 nan 0.000 0.533 370 A N -0.113 122.700 122.820 -0.012 0.000 2.507 370 A HA 0.493 4.812 4.320 -0.000 0.000 0.235 370 A C 0.526 178.121 177.584 0.018 0.000 1.070 370 A CA 0.748 52.789 52.037 0.008 0.000 0.768 370 A CB 0.056 19.050 19.000 -0.010 0.000 1.011 370 A HN 1.205 nan 8.150 nan 0.000 0.502 371 H N -0.046 118.995 119.070 -0.048 0.000 2.871 371 H HA 0.390 4.946 4.556 -0.000 0.000 0.355 371 H C -0.534 174.737 175.328 -0.094 0.000 1.092 371 H CA 0.687 56.701 56.048 -0.056 0.000 1.420 371 H CB 0.159 29.897 29.762 -0.039 0.000 1.400 371 H HN 0.431 nan 8.280 nan 0.000 0.604 372 I N 7.216 127.410 120.570 -0.627 0.000 2.448 372 I HA 0.230 4.400 4.170 -0.000 0.000 0.281 372 I C -2.146 173.592 176.117 -0.631 0.000 1.027 372 I CA -2.147 58.855 61.300 -0.497 0.000 1.111 372 I CB 1.656 39.455 38.000 -0.336 0.000 1.236 372 I HN 0.592 nan 8.210 nan 0.000 0.452 373 P HA -0.085 nan 4.420 nan 0.000 0.263 373 P C 0.428 177.422 177.300 -0.511 0.000 1.162 373 P CA 0.351 63.169 63.100 -0.469 0.000 0.758 373 P CB 0.567 31.740 31.700 -0.879 0.000 0.773 374 E N 2.356 122.398 120.200 -0.262 0.000 2.347 374 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 374 E C 1.515 177.951 176.600 -0.273 0.000 1.008 374 E CA 0.726 57.001 56.400 -0.208 0.000 0.852 374 E CB -0.150 29.527 29.700 -0.038 0.000 0.783 374 E HN 0.729 nan 8.360 nan 0.000 0.505 375 W N 0.014 121.205 121.300 -0.180 0.000 2.519 375 W HA -0.046 4.614 4.660 -0.000 0.000 0.266 375 W C 1.513 177.848 176.519 -0.307 0.000 1.253 375 W CA -0.033 57.071 57.345 -0.402 0.000 1.274 375 W CB -0.760 28.148 29.460 -0.920 0.000 1.114 375 W HN -0.052 nan 8.180 nan 0.000 0.596 376 F N 2.087 121.411 119.950 -1.043 0.000 2.219 376 F HA 0.246 4.773 4.527 -0.000 0.000 0.294 376 F C 0.724 176.244 175.800 -0.466 0.000 1.086 376 F CA 1.385 58.871 58.000 -0.855 0.000 1.330 376 F CB -0.121 38.115 39.000 -1.273 0.000 1.047 376 F HN -0.206 nan 8.300 nan 0.000 0.495 377 S N -1.522 113.804 115.700 -0.623 0.000 2.535 377 S HA 0.382 4.852 4.470 -0.000 0.000 0.272 377 S C -1.497 172.916 174.600 -0.311 0.000 1.149 377 S CA -0.680 57.227 58.200 -0.487 0.000 0.888 377 S CB 0.234 63.262 63.200 -0.287 0.000 1.110 377 S HN 0.077 nan 8.310 nan 0.000 0.463 378 Y N 2.897 123.128 120.300 -0.114 0.000 2.480 378 Y HA 0.186 4.736 4.550 -0.000 0.000 0.338 378 Y C -1.379 174.484 175.900 -0.061 0.000 1.220 378 Y CA -0.954 57.097 58.100 -0.083 0.000 1.430 378 Y CB 0.015 38.428 38.460 -0.078 0.000 1.311 378 Y HN 0.546 nan 8.280 nan 0.000 0.575 379 P HA -0.255 nan 4.420 nan 0.000 0.216 379 P C 1.162 178.490 177.300 0.046 0.000 1.157 379 P CA 2.134 65.266 63.100 0.052 0.000 0.880 379 P CB 0.246 31.982 31.700 0.060 0.000 0.791 380 E N -0.523 119.709 120.200 0.054 0.000 2.150 380 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 380 E C 2.040 178.652 176.600 0.020 0.000 0.985 380 E CA 1.043 57.457 56.400 0.023 0.000 0.814 380 E CB -1.558 28.143 29.700 0.001 0.000 0.752 380 E HN 0.138 nan 8.360 nan 0.000 0.466 381 V N 1.569 121.510 119.914 0.045 0.000 2.358 381 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 381 V C 2.640 178.753 176.094 0.032 0.000 1.047 381 V CA 1.302 63.620 62.300 0.030 0.000 1.035 381 V CB -0.362 31.500 31.823 0.066 0.000 0.658 381 V HN 0.083 nan 8.190 nan 0.000 0.452 382 V N 0.015 119.953 119.914 0.040 0.000 2.343 382 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 382 V C 2.427 178.524 176.094 0.005 0.000 1.051 382 V CA 2.368 64.681 62.300 0.022 0.000 1.036 382 V CB -0.666 31.143 31.823 -0.022 0.000 0.654 382 V HN 0.563 nan 8.190 nan 0.000 0.451 383 K N 0.004 120.406 120.400 0.003 0.000 2.020 383 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 383 K C 2.062 178.660 176.600 -0.003 0.000 1.050 383 K CA 2.142 58.430 56.287 0.001 0.000 0.929 383 K CB -0.340 32.163 32.500 0.005 0.000 0.714 383 K HN 0.382 nan 8.250 nan 0.000 0.443 384 I N 1.220 121.786 120.570 -0.007 0.000 2.264 384 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 384 I C 2.097 178.205 176.117 -0.016 0.000 1.111 384 I CA 1.113 62.403 61.300 -0.017 0.000 1.382 384 I CB -0.099 37.880 38.000 -0.035 0.000 1.060 384 I HN 0.219 nan 8.210 nan 0.000 0.418 385 L N -0.297 120.923 121.223 -0.006 0.000 2.093 385 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 385 L C 2.653 179.524 176.870 0.002 0.000 1.085 385 L CA 1.295 56.137 54.840 0.003 0.000 0.755 385 L CB -0.569 41.512 42.059 0.038 0.000 0.904 385 L HN 0.182 nan 8.230 nan 0.000 0.435 386 R N -0.122 120.377 120.500 -0.002 0.000 2.115 386 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 386 R C 2.148 178.446 176.300 -0.003 0.000 1.111 386 R CA 1.021 57.118 56.100 -0.005 0.000 0.976 386 R CB -0.175 30.121 30.300 -0.007 0.000 0.870 386 R HN 0.383 nan 8.270 nan 0.000 0.445 387 E N 0.272 120.469 120.200 -0.005 0.000 2.153 387 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 387 E C 1.150 177.746 176.600 -0.006 0.000 0.988 387 E CA 1.183 57.580 56.400 -0.006 0.000 0.811 387 E CB 0.205 29.899 29.700 -0.009 0.000 0.746 387 E HN 0.181 nan 8.360 nan 0.000 0.466 388 S N 0.244 115.941 115.700 -0.006 0.000 2.470 388 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 388 S C 0.296 174.898 174.600 0.003 0.000 1.024 388 S CA -0.037 58.160 58.200 -0.004 0.000 0.931 388 S CB 0.263 63.459 63.200 -0.006 0.000 0.791 388 S HN 0.215 nan 8.310 nan 0.000 0.513 389 N N 2.252 120.954 118.700 0.004 0.000 2.762 389 N HA 0.316 5.056 4.740 -0.000 0.000 0.252 389 N C -3.243 172.268 175.510 0.002 0.000 1.269 389 N CA -0.936 52.118 53.050 0.007 0.000 0.799 389 N CB 1.624 40.115 38.487 0.008 0.000 1.173 389 N HN 0.165 nan 8.380 nan 0.000 0.516 390 P HA 0.326 nan 4.420 nan 0.000 0.274 390 P C -2.506 174.789 177.300 -0.008 0.000 1.246 390 P CA -1.113 61.989 63.100 0.003 0.000 0.795 390 P CB -0.029 31.680 31.700 0.015 0.000 1.006 391 P HA 0.214 nan 4.420 nan 0.000 0.274 391 P C 0.988 178.244 177.300 -0.072 0.000 1.246 391 P CA -0.311 62.762 63.100 -0.046 0.000 0.795 391 P CB 0.450 32.127 31.700 -0.038 0.000 1.006 392 R N 1.383 121.780 120.500 -0.171 0.000 2.159 392 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 392 R C 1.936 178.130 176.300 -0.178 0.000 1.131 392 R CA 1.729 57.613 56.100 -0.360 0.000 0.982 392 R CB -1.692 28.188 30.300 -0.699 0.000 0.868 392 R HN 0.556 nan 8.270 nan 0.000 0.453 393 A N 0.498 123.269 122.820 -0.082 0.000 1.986 393 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 393 A C 1.936 179.570 177.584 0.083 0.000 1.171 393 A CA 2.223 54.270 52.037 0.017 0.000 0.640 393 A CB -0.424 18.580 19.000 0.006 0.000 0.811 393 A HN 0.495 nan 8.150 nan 0.000 0.451 394 T N -3.654 110.943 114.554 0.071 0.000 3.040 394 T HA 0.286 4.636 4.350 -0.000 0.000 0.266 394 T C 0.471 175.246 174.700 0.125 0.000 1.005 394 T CA -0.304 61.852 62.100 0.092 0.000 0.906 394 T CB -0.069 68.829 68.868 0.050 0.000 1.082 394 T HN 0.472 nan 8.240 nan 0.000 0.531 395 Q N 1.173 121.078 119.800 0.175 0.000 2.392 395 Q HA 0.510 4.850 4.340 -0.000 0.000 0.262 395 Q C 0.794 176.984 176.000 0.317 0.000 1.003 395 Q CA -0.219 55.722 55.803 0.231 0.000 0.888 395 Q CB 0.748 29.655 28.738 0.283 0.000 1.260 395 Q HN 0.570 nan 8.270 nan 0.000 0.435 396 G N 0.815 109.733 108.800 0.196 0.000 2.588 396 G HA2 0.543 4.503 3.960 -0.000 0.000 0.281 396 G HA3 0.543 4.503 3.960 -0.000 0.000 0.281 396 G C -0.806 174.236 174.900 0.236 0.000 1.236 396 G CA -0.321 44.819 45.100 0.068 0.000 0.969 396 G HN 0.574 nan 8.290 nan 0.000 0.504 397 F N -3.371 116.612 119.950 0.055 0.000 2.770 397 F HA 0.686 5.213 4.527 -0.000 0.000 0.313 397 F C -0.785 175.025 175.800 0.016 0.000 1.154 397 F CA -1.311 56.701 58.000 0.020 0.000 0.923 397 F CB 1.145 40.048 39.000 -0.161 0.000 1.301 397 F HN 0.496 nan 8.300 nan 0.000 0.449 398 T N 3.195 117.959 114.554 0.351 0.000 2.841 398 T HA 0.658 5.008 4.350 -0.000 0.000 0.283 398 T C -0.989 173.817 174.700 0.176 0.000 1.000 398 T CA -0.490 61.724 62.100 0.189 0.000 0.977 398 T CB 1.467 70.434 68.868 0.165 0.000 0.979 398 T HN 0.506 nan 8.240 nan 0.000 0.446 399 I N 3.480 124.122 120.570 0.120 0.000 2.355 399 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 399 I C -0.752 175.343 176.117 -0.036 0.000 0.999 399 I CA -0.718 60.608 61.300 0.044 0.000 1.163 399 I CB 0.896 38.923 38.000 0.046 0.000 1.316 399 I HN 0.615 nan 8.210 nan 0.000 0.454 400 F N 7.409 127.197 119.950 -0.270 0.000 2.388 400 F HA 0.517 5.044 4.527 -0.000 0.000 0.358 400 F C -0.536 175.238 175.800 -0.044 0.000 1.122 400 F CA -0.462 57.437 58.000 -0.169 0.000 1.056 400 F CB 0.990 39.823 39.000 -0.278 0.000 1.155 400 F HN 0.244 nan 8.300 nan 0.000 0.461 401 L N 5.018 126.134 121.223 -0.178 0.000 2.317 401 L HA 0.574 4.914 4.340 -0.000 0.000 0.281 401 L C -0.040 176.847 176.870 0.028 0.000 1.024 401 L CA -0.540 54.289 54.840 -0.019 0.000 0.810 401 L CB 1.979 43.998 42.059 -0.067 0.000 1.240 401 L HN 0.539 nan 8.230 nan 0.000 0.427 402 T N 1.641 116.320 114.554 0.208 0.000 2.916 402 T HA 0.843 5.193 4.350 -0.000 0.000 0.298 402 T C -0.530 174.349 174.700 0.298 0.000 1.031 402 T CA -0.163 62.103 62.100 0.277 0.000 0.993 402 T CB 1.609 70.709 68.868 0.387 0.000 1.045 402 T HN 0.891 nan 8.240 nan 0.000 0.454 403 G N 2.353 111.261 108.800 0.180 0.000 2.349 403 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 403 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 403 G C -1.846 172.921 174.900 -0.221 0.000 1.380 403 G CA -0.834 44.234 45.100 -0.053 0.000 0.811 403 G HN 0.676 nan 8.290 nan 0.000 0.519 404 Y N 0.406 120.561 120.300 -0.242 0.000 2.385 404 Y HA 0.380 4.930 4.550 -0.000 0.000 0.346 404 Y C 1.561 177.496 175.900 0.059 0.000 1.270 404 Y CA -0.193 57.846 58.100 -0.100 0.000 1.472 404 Y CB 0.648 39.110 38.460 0.004 0.000 1.354 404 Y HN 0.415 nan 8.280 nan 0.000 0.611 405 M N 2.817 122.606 119.600 0.314 0.000 2.251 405 M HA -0.092 4.388 4.480 -0.000 0.000 0.343 405 M C 0.443 176.989 176.300 0.410 0.000 1.245 405 M CA 0.694 56.154 55.300 0.267 0.000 1.061 405 M CB -0.546 32.173 32.600 0.200 0.000 1.723 405 M HN 0.979 nan 8.290 nan 0.000 0.449 406 N N 1.475 120.353 118.700 0.297 0.000 2.747 406 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 406 N C 0.340 175.997 175.510 0.245 0.000 1.107 406 N CA 1.085 54.299 53.050 0.274 0.000 0.707 406 N CB -0.941 37.743 38.487 0.327 0.000 1.054 406 N HN 0.738 nan 8.380 nan 0.000 0.555 407 S N -2.030 113.796 115.700 0.211 0.000 2.593 407 S HA 0.396 4.866 4.470 -0.000 0.000 0.217 407 S C 1.691 176.402 174.600 0.184 0.000 0.966 407 S CA 0.754 59.061 58.200 0.178 0.000 0.914 407 S CB 0.566 63.851 63.200 0.141 0.000 0.776 407 S HN 1.203 nan 8.310 nan 0.000 0.523 408 G N 2.560 111.433 108.800 0.122 0.000 2.179 408 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 408 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 408 G C 0.822 175.601 174.900 -0.203 0.000 0.990 408 G CA 0.287 45.303 45.100 -0.140 0.000 0.646 408 G HN 0.679 nan 8.290 nan 0.000 0.517 409 K N 0.358 120.715 120.400 -0.071 0.000 2.152 409 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 409 K C 1.469 178.022 176.600 -0.078 0.000 1.048 409 K CA 1.671 57.917 56.287 -0.068 0.000 0.933 409 K CB -0.257 32.235 32.500 -0.014 0.000 0.721 409 K HN 0.351 nan 8.250 nan 0.000 0.447 410 D N 1.236 121.605 120.400 -0.053 0.000 2.149 410 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 410 D C 2.032 178.288 176.300 -0.073 0.000 0.972 410 D CA 1.431 55.404 54.000 -0.045 0.000 0.835 410 D CB 0.061 40.858 40.800 -0.006 0.000 0.966 410 D HN 0.458 nan 8.370 nan 0.000 0.476 411 A N 1.137 123.887 122.820 -0.116 0.000 1.929 411 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 411 A C 2.292 179.779 177.584 -0.162 0.000 1.176 411 A CA 0.451 52.405 52.037 -0.137 0.000 0.628 411 A CB -0.563 18.325 19.000 -0.187 0.000 0.816 411 A HN 0.096 nan 8.150 nan 0.000 0.444 412 I N 0.094 120.537 120.570 -0.212 0.000 2.151 412 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 412 I C 2.988 179.043 176.117 -0.104 0.000 1.080 412 I CA 1.165 62.363 61.300 -0.170 0.000 1.339 412 I CB -0.404 37.494 38.000 -0.169 0.000 1.039 412 I HN 0.363 nan 8.210 nan 0.000 0.409 413 A N 0.995 123.760 122.820 -0.091 0.000 1.851 413 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 413 A C 2.404 179.955 177.584 -0.055 0.000 1.195 413 A CA 1.921 53.916 52.037 -0.069 0.000 0.622 413 A CB -0.723 18.236 19.000 -0.069 0.000 0.831 413 A HN 0.325 nan 8.150 nan 0.000 0.444 414 R N -0.646 119.823 120.500 -0.053 0.000 2.105 414 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 414 R C 2.430 178.709 176.300 -0.036 0.000 1.135 414 R CA 1.218 57.295 56.100 -0.038 0.000 0.967 414 R CB -0.460 29.820 30.300 -0.033 0.000 0.861 414 R HN 0.547 nan 8.270 nan 0.000 0.442 415 A N 1.038 123.831 122.820 -0.046 0.000 1.898 415 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 415 A C 2.048 179.615 177.584 -0.028 0.000 1.181 415 A CA 0.892 52.906 52.037 -0.037 0.000 0.620 415 A CB -0.429 18.541 19.000 -0.049 0.000 0.819 415 A HN 0.213 nan 8.150 nan 0.000 0.442 416 L N 0.086 121.288 121.223 -0.035 0.000 2.079 416 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 416 L C 2.527 179.390 176.870 -0.012 0.000 1.081 416 L CA 2.597 57.422 54.840 -0.024 0.000 0.752 416 L CB -0.751 41.289 42.059 -0.032 0.000 0.896 416 L HN 0.638 nan 8.230 nan 0.000 0.433 417 Q N -0.973 118.816 119.800 -0.020 0.000 2.020 417 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 417 Q C 2.116 178.110 176.000 -0.011 0.000 0.982 417 Q CA 2.651 58.444 55.803 -0.017 0.000 0.838 417 Q CB -0.179 28.545 28.738 -0.024 0.000 0.899 417 Q HN 0.424 nan 8.270 nan 0.000 0.423 418 V N 0.898 120.806 119.914 -0.011 0.000 2.332 418 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 418 V C 2.376 178.470 176.094 0.000 0.000 1.055 418 V CA 2.218 64.514 62.300 -0.006 0.000 1.038 418 V CB -0.979 30.840 31.823 -0.007 0.000 0.651 418 V HN 0.510 nan 8.190 nan 0.000 0.450 419 T N 0.531 115.086 114.554 0.001 0.000 2.684 419 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 419 T C 1.860 176.570 174.700 0.017 0.000 1.036 419 T CA 1.772 63.877 62.100 0.009 0.000 1.148 419 T CB -0.357 68.516 68.868 0.008 0.000 0.863 419 T HN 0.323 nan 8.240 nan 0.000 0.436 420 L N 1.014 122.250 121.223 0.021 0.000 2.141 420 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 420 L C 2.578 179.462 176.870 0.024 0.000 1.094 420 L CA 0.803 55.665 54.840 0.038 0.000 0.763 420 L CB -0.568 41.525 42.059 0.056 0.000 0.908 420 L HN 0.206 nan 8.230 nan 0.000 0.437 421 N N -0.122 118.584 118.700 0.010 0.000 2.188 421 N HA -0.223 4.517 4.740 -0.000 0.000 0.184 421 N C 1.814 177.330 175.510 0.010 0.000 1.018 421 N CA 1.087 54.140 53.050 0.005 0.000 0.858 421 N CB -0.102 38.384 38.487 -0.002 0.000 0.989 421 N HN 0.460 nan 8.380 nan 0.000 0.426 422 Q N 0.821 120.628 119.800 0.012 0.000 2.020 422 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 422 Q C 1.976 177.987 176.000 0.019 0.000 0.982 422 Q CA 1.595 57.406 55.803 0.013 0.000 0.838 422 Q CB -0.088 28.658 28.738 0.013 0.000 0.899 422 Q HN 0.126 nan 8.270 nan 0.000 0.423 423 Q N -0.406 119.410 119.800 0.025 0.000 2.133 423 Q HA -0.178 4.162 4.340 -0.000 0.000 0.208 423 Q C 1.358 177.379 176.000 0.035 0.000 0.991 423 Q CA 2.813 58.636 55.803 0.034 0.000 0.867 423 Q CB -0.642 28.124 28.738 0.046 0.000 0.911 423 Q HN 0.689 nan 8.270 nan 0.000 0.417 424 G N -2.707 106.112 108.800 0.032 0.000 2.317 424 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.227 424 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.227 424 G C 1.090 176.009 174.900 0.032 0.000 1.042 424 G CA 0.387 45.504 45.100 0.028 0.000 0.623 424 G HN 0.837 nan 8.290 nan 0.000 0.509 425 G N 1.130 109.960 108.800 0.051 0.000 2.442 425 G HA2 0.201 4.161 3.960 -0.000 0.000 0.219 425 G HA3 0.201 4.161 3.960 -0.000 0.000 0.219 425 G C 0.923 175.845 174.900 0.036 0.000 1.141 425 G CA 1.719 46.850 45.100 0.053 0.000 0.763 425 G HN 1.019 nan 8.290 nan 0.000 0.554 426 R N -1.324 119.188 120.500 0.021 0.000 2.885 426 R HA 0.630 4.970 4.340 -0.000 0.000 0.260 426 R C -1.001 175.277 176.300 -0.037 0.000 1.107 426 R CA -0.639 55.453 56.100 -0.014 0.000 0.978 426 R CB 0.558 30.836 30.300 -0.036 0.000 1.227 426 R HN -0.032 nan 8.270 nan 0.000 0.473 427 S N 0.216 115.885 115.700 -0.052 0.000 2.549 427 S HA 0.252 4.722 4.470 -0.000 0.000 0.279 427 S C -0.293 174.254 174.600 -0.088 0.000 1.321 427 S CA -0.529 57.637 58.200 -0.057 0.000 1.054 427 S CB 0.487 63.656 63.200 -0.052 0.000 0.899 427 S HN 0.328 nan 8.310 nan 0.000 0.497 428 V N 5.125 124.996 119.914 -0.073 0.000 2.384 428 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 428 V C -0.055 175.996 176.094 -0.072 0.000 1.020 428 V CA -0.607 61.639 62.300 -0.089 0.000 0.850 428 V CB 1.631 33.416 31.823 -0.063 0.000 0.987 428 V HN 0.882 nan 8.190 nan 0.000 0.436 429 S N 5.144 120.793 115.700 -0.084 0.000 2.456 429 S HA 0.632 5.102 4.470 -0.000 0.000 0.316 429 S C -0.634 173.935 174.600 -0.052 0.000 1.089 429 S CA -0.370 57.795 58.200 -0.058 0.000 1.101 429 S CB 1.224 64.391 63.200 -0.054 0.000 0.995 429 S HN 0.575 nan 8.310 nan 0.000 0.468 430 L N 5.439 126.641 121.223 -0.036 0.000 2.287 430 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 430 L C -1.305 175.550 176.870 -0.025 0.000 1.022 430 L CA -0.189 54.630 54.840 -0.034 0.000 0.814 430 L CB 0.577 42.618 42.059 -0.029 0.000 1.217 430 L HN 0.612 nan 8.230 nan 0.000 0.420 431 L N 6.989 128.191 121.223 -0.034 0.000 2.408 431 L HA 0.408 4.748 4.340 -0.000 0.000 0.257 431 L C -0.556 176.289 176.870 -0.042 0.000 1.053 431 L CA -0.329 54.496 54.840 -0.025 0.000 0.922 431 L CB 0.876 42.922 42.059 -0.022 0.000 1.261 431 L HN 0.551 nan 8.230 nan 0.000 0.458 432 L N 0.995 122.205 121.223 -0.022 0.000 2.418 432 L HA 0.320 4.660 4.340 -0.000 0.000 0.265 432 L C 1.754 178.622 176.870 -0.004 0.000 1.143 432 L CA 0.078 54.905 54.840 -0.021 0.000 0.809 432 L CB 1.317 43.374 42.059 -0.004 0.000 1.124 432 L HN 0.605 nan 8.230 nan 0.000 0.456 433 G N 0.669 109.467 108.800 -0.004 0.000 2.574 433 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 433 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 433 G C 0.953 175.890 174.900 0.061 0.000 1.173 433 G CA 0.999 46.114 45.100 0.026 0.000 0.772 433 G HN 0.753 nan 8.290 nan 0.000 0.585 434 D N -0.387 120.053 120.400 0.067 0.000 2.178 434 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 434 D C 2.736 179.097 176.300 0.101 0.000 0.974 434 D CA 1.231 55.285 54.000 0.089 0.000 0.841 434 D CB -0.401 40.441 40.800 0.071 0.000 0.953 434 D HN 0.265 nan 8.370 nan 0.000 0.478 435 T N -0.079 114.521 114.554 0.078 0.000 2.812 435 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 435 T C 2.206 176.957 174.700 0.086 0.000 1.042 435 T CA 0.529 62.685 62.100 0.094 0.000 1.140 435 T CB -0.236 68.667 68.868 0.059 0.000 0.870 435 T HN -0.040 nan 8.240 nan 0.000 0.445 436 V N 1.835 121.783 119.914 0.057 0.000 2.255 436 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 436 V C 2.797 178.921 176.094 0.050 0.000 1.051 436 V CA 1.592 63.918 62.300 0.043 0.000 1.018 436 V CB -0.480 31.364 31.823 0.034 0.000 0.641 436 V HN 0.333 nan 8.190 nan 0.000 0.445 437 R N -0.591 119.955 120.500 0.076 0.000 2.091 437 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 437 R C 2.260 178.627 176.300 0.112 0.000 1.136 437 R CA 2.202 58.354 56.100 0.087 0.000 0.959 437 R CB -0.903 29.478 30.300 0.135 0.000 0.856 437 R HN 0.723 nan 8.270 nan 0.000 0.437 438 H N 0.942 120.036 119.070 0.039 0.000 2.343 438 H HA 0.013 4.569 4.556 -0.000 0.000 0.303 438 H C 1.707 177.049 175.328 0.023 0.000 1.068 438 H CA 1.462 57.530 56.048 0.033 0.000 1.359 438 H CB 0.213 29.995 29.762 0.034 0.000 1.402 438 H HN 0.062 nan 8.280 nan 0.000 0.515 439 E N -0.041 120.076 120.200 -0.139 0.000 2.158 439 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 439 E C 2.004 178.538 176.600 -0.110 0.000 0.982 439 E CA 0.888 57.177 56.400 -0.184 0.000 0.823 439 E CB 0.421 30.086 29.700 -0.058 0.000 0.766 439 E HN 0.531 nan 8.360 nan 0.000 0.468 440 L N -0.848 120.343 121.223 -0.053 0.000 2.685 440 L HA 0.163 4.503 4.340 -0.000 0.000 0.235 440 L C 0.916 177.762 176.870 -0.039 0.000 1.070 440 L CA 0.222 55.044 54.840 -0.031 0.000 0.888 440 L CB 0.596 42.659 42.059 0.006 0.000 1.203 440 L HN -0.194 nan 8.230 nan 0.000 0.499 441 S N -0.404 115.275 115.700 -0.035 0.000 2.592 441 S HA 0.048 4.518 4.470 -0.000 0.000 0.243 441 S C 1.357 175.935 174.600 -0.037 0.000 1.160 441 S CA 0.116 58.288 58.200 -0.048 0.000 1.145 441 S CB 0.664 63.828 63.200 -0.059 0.000 0.909 441 S HN 0.344 nan 8.310 nan 0.000 0.487 442 S N 1.491 117.173 115.700 -0.028 0.000 2.440 442 S HA -0.100 4.370 4.470 -0.000 0.000 0.238 442 S C 1.200 175.806 174.600 0.010 0.000 1.010 442 S CA 1.011 59.217 58.200 0.010 0.000 0.972 442 S CB -0.090 63.105 63.200 -0.008 0.000 0.774 442 S HN 0.355 nan 8.310 nan 0.000 0.501 443 E N 0.411 120.597 120.200 -0.023 0.000 2.498 443 E HA 0.400 4.750 4.350 -0.000 0.000 0.203 443 E C 0.389 176.955 176.600 -0.056 0.000 1.013 443 E CA -0.149 56.236 56.400 -0.025 0.000 0.927 443 E CB 0.136 29.820 29.700 -0.026 0.000 1.012 443 E HN 0.564 nan 8.360 nan 0.000 0.482 444 L N -0.209 120.952 121.223 -0.102 0.000 2.475 444 L HA 0.384 4.724 4.340 -0.000 0.000 0.253 444 L C 1.211 177.930 176.870 -0.251 0.000 1.198 444 L CA -0.190 54.550 54.840 -0.167 0.000 0.814 444 L CB 0.531 42.469 42.059 -0.202 0.000 1.134 444 L HN 0.021 nan 8.230 nan 0.000 0.478 445 G N -0.759 107.862 108.800 -0.300 0.000 3.122 445 G HA2 0.449 4.409 3.960 -0.000 0.000 0.180 445 G HA3 0.449 4.409 3.960 -0.000 0.000 0.180 445 G C -0.703 173.770 174.900 -0.712 0.000 1.279 445 G CA -0.302 44.609 45.100 -0.314 0.000 0.987 445 G HN 0.418 nan 8.290 nan 0.000 0.589 446 F N 0.684 120.654 119.950 0.033 0.000 2.805 446 F HA 0.303 4.830 4.527 -0.000 0.000 0.317 446 F C 1.297 177.131 175.800 0.057 0.000 1.146 446 F CA -0.498 57.527 58.000 0.042 0.000 1.265 446 F CB 0.789 39.807 39.000 0.031 0.000 0.992 446 F HN 0.334 nan 8.300 nan 0.000 0.511 447 T N -1.512 113.090 114.554 0.080 0.000 2.907 447 T HA 0.151 4.501 4.350 -0.000 0.000 0.298 447 T C 1.707 176.419 174.700 0.020 0.000 1.017 447 T CA -0.455 61.679 62.100 0.057 0.000 1.118 447 T CB 1.210 70.084 68.868 0.009 0.000 0.948 447 T HN 0.236 nan 8.240 nan 0.000 0.531 448 R N 2.012 122.502 120.500 -0.017 0.000 2.159 448 R HA -0.238 4.102 4.340 -0.000 0.000 0.252 448 R C 2.614 178.789 176.300 -0.208 0.000 1.144 448 R CA 2.808 58.765 56.100 -0.239 0.000 0.961 448 R CB -1.178 28.876 30.300 -0.409 0.000 0.877 448 R HN 1.002 nan 8.270 nan 0.000 0.444 449 E N 0.818 120.929 120.200 -0.147 0.000 2.051 449 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 449 E C 1.754 178.317 176.600 -0.062 0.000 0.991 449 E CA 1.656 57.990 56.400 -0.109 0.000 0.799 449 E CB -0.678 28.963 29.700 -0.098 0.000 0.748 449 E HN 0.422 nan 8.360 nan 0.000 0.449 450 D N -0.389 119.967 120.400 -0.074 0.000 2.144 450 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 450 D C 2.209 178.445 176.300 -0.107 0.000 0.984 450 D CA 1.098 55.036 54.000 -0.103 0.000 0.834 450 D CB -0.153 40.563 40.800 -0.139 0.000 0.955 450 D HN 0.415 nan 8.370 nan 0.000 0.465 451 R N -0.752 119.717 120.500 -0.051 0.000 2.062 451 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 451 R C 2.245 178.562 176.300 0.028 0.000 1.136 451 R CA 1.127 57.233 56.100 0.010 0.000 0.948 451 R CB -0.564 29.839 30.300 0.172 0.000 0.845 451 R HN 0.303 nan 8.270 nan 0.000 0.430 452 H N 0.563 119.587 119.070 -0.076 0.000 2.390 452 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 452 H C 1.805 177.031 175.328 -0.171 0.000 1.106 452 H CA 2.220 58.192 56.048 -0.126 0.000 1.297 452 H CB -0.144 29.498 29.762 -0.199 0.000 1.375 452 H HN 0.039 nan 8.280 nan 0.000 0.509 453 T N -0.038 114.444 114.554 -0.119 0.000 2.708 453 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 453 T C 1.963 176.553 174.700 -0.183 0.000 1.037 453 T CA 1.319 63.308 62.100 -0.184 0.000 1.146 453 T CB -0.419 68.377 68.868 -0.120 0.000 0.865 453 T HN 0.539 nan 8.240 nan 0.000 0.435 454 N N 0.754 119.380 118.700 -0.123 0.000 2.036 454 N HA -0.155 4.585 4.740 -0.000 0.000 0.195 454 N C 1.791 177.281 175.510 -0.033 0.000 1.037 454 N CA 1.402 54.407 53.050 -0.075 0.000 0.855 454 N CB -0.116 38.329 38.487 -0.069 0.000 1.033 454 N HN 0.182 nan 8.380 nan 0.000 0.423 455 I N 1.603 122.153 120.570 -0.034 0.000 2.335 455 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 455 I C 2.314 178.434 176.117 0.006 0.000 1.129 455 I CA 1.186 62.520 61.300 0.056 0.000 1.402 455 I CB -1.327 36.712 38.000 0.065 0.000 1.069 455 I HN 0.334 nan 8.210 nan 0.000 0.424 456 Q N -0.012 119.651 119.800 -0.229 0.000 2.119 456 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 456 Q C 2.398 178.449 176.000 0.085 0.000 0.972 456 Q CA 1.039 56.721 55.803 -0.203 0.000 0.847 456 Q CB -0.138 28.228 28.738 -0.620 0.000 0.903 456 Q HN 0.424 nan 8.270 nan 0.000 0.433 457 R N 0.398 120.910 120.500 0.019 0.000 2.091 457 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 457 R C 2.198 178.607 176.300 0.182 0.000 1.136 457 R CA 1.215 57.366 56.100 0.085 0.000 0.959 457 R CB -0.213 30.095 30.300 0.013 0.000 0.856 457 R HN 0.271 nan 8.270 nan 0.000 0.437 458 I N 0.129 120.801 120.570 0.170 0.000 2.142 458 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 458 I C 2.532 178.809 176.117 0.268 0.000 1.078 458 I CA 1.307 62.732 61.300 0.208 0.000 1.343 458 I CB -0.396 37.746 38.000 0.237 0.000 1.046 458 I HN 0.211 nan 8.210 nan 0.000 0.405 459 A N 0.495 123.506 122.820 0.319 0.000 1.948 459 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 459 A C 2.232 179.969 177.584 0.255 0.000 1.177 459 A CA 1.703 53.921 52.037 0.302 0.000 0.636 459 A CB -1.031 18.168 19.000 0.331 0.000 0.815 459 A HN 0.500 nan 8.150 nan 0.000 0.449 460 F N 0.543 120.579 119.950 0.144 0.000 2.113 460 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 460 F C 2.200 178.043 175.800 0.071 0.000 1.103 460 F CA 1.998 60.057 58.000 0.098 0.000 1.248 460 F CB -0.302 38.748 39.000 0.083 0.000 0.999 460 F HN 0.024 nan 8.300 nan 0.000 0.475 461 V N 0.576 120.570 119.914 0.133 0.000 2.358 461 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 461 V C 2.765 178.839 176.094 -0.033 0.000 1.047 461 V CA 1.633 63.935 62.300 0.005 0.000 1.035 461 V CB -1.549 30.339 31.823 0.109 0.000 0.658 461 V HN 0.481 nan 8.190 nan 0.000 0.452 462 A N -0.104 122.747 122.820 0.052 0.000 1.883 462 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 462 A C 2.409 180.002 177.584 0.016 0.000 1.186 462 A CA 2.668 54.744 52.037 0.065 0.000 0.624 462 A CB -1.057 18.051 19.000 0.180 0.000 0.822 462 A HN 0.497 nan 8.150 nan 0.000 0.444 463 T N -0.075 114.471 114.554 -0.013 0.000 2.708 463 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 463 T C 1.862 176.496 174.700 -0.110 0.000 1.037 463 T CA 1.527 63.596 62.100 -0.051 0.000 1.146 463 T CB -0.268 68.555 68.868 -0.075 0.000 0.865 463 T HN 0.471 nan 8.240 nan 0.000 0.435 464 E N 1.118 121.190 120.200 -0.214 0.000 2.085 464 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 464 E C 2.314 178.842 176.600 -0.120 0.000 0.994 464 E CA 0.832 57.107 56.400 -0.208 0.000 0.801 464 E CB -0.532 28.975 29.700 -0.321 0.000 0.743 464 E HN 0.472 nan 8.360 nan 0.000 0.453 465 L N 0.492 121.656 121.223 -0.097 0.000 2.056 465 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 465 L C 2.542 179.373 176.870 -0.066 0.000 1.078 465 L CA 1.426 56.222 54.840 -0.074 0.000 0.749 465 L CB -0.748 41.271 42.059 -0.067 0.000 0.901 465 L HN 0.082 nan 8.230 nan 0.000 0.433 466 T N -0.663 113.863 114.554 -0.045 0.000 2.720 466 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 466 T C 1.990 176.687 174.700 -0.006 0.000 1.037 466 T CA 1.612 63.701 62.100 -0.019 0.000 1.144 466 T CB -0.276 68.612 68.868 0.034 0.000 0.864 466 T HN 0.271 nan 8.240 nan 0.000 0.444 467 R N 1.047 121.535 120.500 -0.020 0.000 2.152 467 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 467 R C 1.998 178.283 176.300 -0.024 0.000 1.117 467 R CA 1.242 57.332 56.100 -0.018 0.000 0.981 467 R CB -0.242 30.034 30.300 -0.039 0.000 0.870 467 R HN 0.350 nan 8.270 nan 0.000 0.451 468 A N -0.392 122.404 122.820 -0.038 0.000 2.307 468 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 468 A C 1.114 178.679 177.584 -0.031 0.000 1.228 468 A CA 0.448 52.462 52.037 -0.039 0.000 0.857 468 A CB -0.041 18.929 19.000 -0.049 0.000 0.897 468 A HN 0.541 nan 8.150 nan 0.000 0.495 469 G N -1.757 107.029 108.800 -0.023 0.000 2.137 469 G HA2 0.097 4.057 3.960 -0.000 0.000 0.237 469 G HA3 0.097 4.057 3.960 -0.000 0.000 0.237 469 G C 0.434 175.294 174.900 -0.068 0.000 1.002 469 G CA 0.370 45.461 45.100 -0.015 0.000 0.702 469 G HN 1.492 nan 8.290 nan 0.000 0.515 470 A N -0.512 122.241 122.820 -0.111 0.000 2.246 470 A HA 0.963 5.283 4.320 -0.000 0.000 0.291 470 A C 0.676 178.043 177.584 -0.362 0.000 1.103 470 A CA 0.540 52.471 52.037 -0.177 0.000 0.844 470 A CB 1.006 19.924 19.000 -0.137 0.000 1.136 470 A HN 2.082 nan 8.150 nan 0.000 0.500 471 A N 0.201 122.748 122.820 -0.455 0.000 2.273 471 A HA 0.590 4.910 4.320 -0.000 0.000 0.315 471 A C -0.717 176.613 177.584 -0.425 0.000 1.256 471 A CA -0.394 51.127 52.037 -0.860 0.000 0.851 471 A CB 0.457 18.981 19.000 -0.793 0.000 1.172 471 A HN 0.920 nan 8.150 nan 0.000 0.508 472 V N 3.884 123.599 119.914 -0.331 0.000 2.435 472 V HA 0.468 4.588 4.120 -0.000 0.000 0.290 472 V C -0.229 175.822 176.094 -0.073 0.000 1.030 472 V CA -0.244 61.974 62.300 -0.137 0.000 0.881 472 V CB 1.371 33.157 31.823 -0.062 0.000 0.983 472 V HN 0.740 nan 8.190 nan 0.000 0.445 473 I N 4.002 124.536 120.570 -0.060 0.000 2.410 473 I HA 0.736 4.906 4.170 -0.000 0.000 0.286 473 I C 0.067 176.135 176.117 -0.083 0.000 1.009 473 I CA -0.406 60.862 61.300 -0.053 0.000 1.111 473 I CB 1.730 39.702 38.000 -0.047 0.000 1.262 473 I HN 0.701 nan 8.210 nan 0.000 0.443 474 A N 5.074 127.808 122.820 -0.144 0.000 2.355 474 A HA 0.933 5.253 4.320 -0.000 0.000 0.317 474 A C -0.474 176.897 177.584 -0.354 0.000 1.094 474 A CA -0.571 51.326 52.037 -0.234 0.000 0.764 474 A CB 1.646 20.480 19.000 -0.278 0.000 1.230 474 A HN 0.794 nan 8.150 nan 0.000 0.448 475 A N 3.732 126.395 122.820 -0.263 0.000 3.127 475 A HA 0.703 5.023 4.320 -0.000 0.000 0.319 475 A C -2.988 174.509 177.584 -0.144 0.000 1.104 475 A CA -1.097 50.807 52.037 -0.220 0.000 0.802 475 A CB 0.641 19.570 19.000 -0.120 0.000 1.193 475 A HN 0.549 nan 8.150 nan 0.000 0.479 476 P HA 0.509 nan 4.420 nan 0.000 0.289 476 P C 0.874 178.194 177.300 0.032 0.000 1.300 476 P CA -0.652 62.427 63.100 -0.036 0.000 0.828 476 P CB 1.403 33.092 31.700 -0.019 0.000 1.235 477 I N 0.010 120.634 120.570 0.091 0.000 2.202 477 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 477 I C 1.118 177.363 176.117 0.213 0.000 1.091 477 I CA 1.356 62.734 61.300 0.130 0.000 1.368 477 I CB -0.804 37.255 38.000 0.098 0.000 1.058 477 I HN 0.445 nan 8.210 nan 0.000 0.410 478 A N 0.938 123.879 122.820 0.201 0.000 2.362 478 A HA -0.155 4.165 4.320 -0.000 0.000 0.290 478 A C -1.381 176.235 177.584 0.054 0.000 1.441 478 A CA 0.355 52.528 52.037 0.227 0.000 0.743 478 A CB -1.707 17.559 19.000 0.444 0.000 1.125 478 A HN 0.291 nan 8.150 nan 0.000 0.378 479 P HA -0.037 nan 4.420 nan 0.000 0.219 479 P C 0.163 177.038 177.300 -0.708 0.000 1.150 479 P CA 1.365 64.149 63.100 -0.527 0.000 0.814 479 P CB 0.022 31.412 31.700 -0.517 0.000 0.787 480 Y N -0.783 119.432 120.300 -0.142 0.000 2.328 480 Y HA 0.251 4.801 4.550 -0.000 0.000 0.337 480 Y C 1.743 177.586 175.900 -0.095 0.000 1.008 480 Y CA -0.709 57.319 58.100 -0.120 0.000 1.129 480 Y CB 0.862 39.295 38.460 -0.045 0.000 1.185 480 Y HN -0.230 nan 8.280 nan 0.000 0.476 481 E N 1.576 121.779 120.200 0.005 0.000 2.219 481 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 481 E C 1.758 178.381 176.600 0.038 0.000 0.998 481 E CA 1.643 58.035 56.400 -0.015 0.000 0.818 481 E CB 0.148 29.826 29.700 -0.036 0.000 0.741 481 E HN 0.804 nan 8.360 nan 0.000 0.477 482 E N -0.542 119.711 120.200 0.088 0.000 2.051 482 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 482 E C 1.974 178.699 176.600 0.209 0.000 0.991 482 E CA 1.448 57.906 56.400 0.097 0.000 0.799 482 E CB -0.027 29.674 29.700 0.003 0.000 0.748 482 E HN 0.244 nan 8.360 nan 0.000 0.449 483 S N 0.642 116.506 115.700 0.274 0.000 2.368 483 S HA -0.148 4.321 4.470 -0.000 0.000 0.225 483 S C 1.877 176.506 174.600 0.048 0.000 1.030 483 S CA 1.052 59.353 58.200 0.169 0.000 0.999 483 S CB -0.250 63.043 63.200 0.156 0.000 0.844 483 S HN 0.263 nan 8.310 nan 0.000 0.459 484 R N 1.342 121.837 120.500 -0.009 0.000 2.081 484 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 484 R C 2.470 178.621 176.300 -0.248 0.000 1.131 484 R CA 1.236 57.222 56.100 -0.189 0.000 0.960 484 R CB -0.293 29.934 30.300 -0.122 0.000 0.856 484 R HN 0.337 nan 8.270 nan 0.000 0.436 485 K N 0.514 120.839 120.400 -0.124 0.000 2.148 485 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 485 K C 1.935 178.428 176.600 -0.178 0.000 1.050 485 K CA 1.097 57.286 56.287 -0.164 0.000 0.942 485 K CB -0.116 32.340 32.500 -0.074 0.000 0.724 485 K HN 0.072 nan 8.250 nan 0.000 0.446 486 F N 1.439 121.279 119.950 -0.183 0.000 2.075 486 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 486 F C 2.093 177.739 175.800 -0.257 0.000 1.113 486 F CA 1.755 59.659 58.000 -0.160 0.000 1.218 486 F CB -0.465 38.476 39.000 -0.098 0.000 0.984 486 F HN 0.084 nan 8.300 nan 0.000 0.472 487 A N 0.984 123.746 122.820 -0.096 0.000 1.859 487 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 487 A C 2.394 179.518 177.584 -0.767 0.000 1.198 487 A CA 2.112 53.985 52.037 -0.274 0.000 0.629 487 A CB -1.143 17.646 19.000 -0.352 0.000 0.830 487 A HN 0.527 nan 8.150 nan 0.000 0.446 488 R N -0.511 119.209 120.500 -1.300 0.000 2.103 488 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 488 R C 1.396 177.233 176.300 -0.772 0.000 1.142 488 R CA 2.052 57.117 56.100 -1.725 0.000 0.960 488 R CB -0.447 29.100 30.300 -1.255 0.000 0.858 488 R HN 0.505 nan 8.270 nan 0.000 0.439 489 D N 0.197 120.263 120.400 -0.557 0.000 2.144 489 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 489 D C 1.755 177.837 176.300 -0.365 0.000 0.978 489 D CA 1.435 55.197 54.000 -0.396 0.000 0.833 489 D CB -0.259 40.331 40.800 -0.350 0.000 0.961 489 D HN 0.411 nan 8.370 nan 0.000 0.470 490 A N 0.741 123.285 122.820 -0.459 0.000 1.873 490 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 490 A C 2.542 180.027 177.584 -0.164 0.000 1.186 490 A CA 1.203 53.046 52.037 -0.323 0.000 0.616 490 A CB -0.794 17.999 19.000 -0.346 0.000 0.823 490 A HN 0.131 nan 8.150 nan 0.000 0.442 491 V N 0.227 120.066 119.914 -0.126 0.000 2.343 491 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 491 V C 2.700 178.800 176.094 0.011 0.000 1.051 491 V CA 2.280 64.594 62.300 0.024 0.000 1.036 491 V CB -0.895 31.084 31.823 0.260 0.000 0.654 491 V HN 0.558 nan 8.190 nan 0.000 0.451 492 S N -0.560 115.106 115.700 -0.057 0.000 2.440 492 S HA -0.251 4.219 4.470 -0.000 0.000 0.240 492 S C 1.932 176.515 174.600 -0.029 0.000 1.014 492 S CA 1.088 59.266 58.200 -0.038 0.000 0.980 492 S CB -0.329 62.812 63.200 -0.098 0.000 0.775 492 S HN 0.572 nan 8.310 nan 0.000 0.499 493 Q N 0.378 120.149 119.800 -0.049 0.000 2.224 493 Q HA 0.109 4.449 4.340 -0.000 0.000 0.203 493 Q C 2.067 178.064 176.000 -0.005 0.000 0.970 493 Q CA 1.272 57.056 55.803 -0.033 0.000 0.865 493 Q CB -0.312 28.398 28.738 -0.047 0.000 0.922 493 Q HN 0.642 nan 8.270 nan 0.000 0.445 494 A N -0.965 121.859 122.820 0.007 0.000 2.192 494 A HA 0.524 4.844 4.320 -0.000 0.000 0.208 494 A C 0.896 178.516 177.584 0.060 0.000 1.220 494 A CA 0.879 52.931 52.037 0.024 0.000 0.900 494 A CB 0.701 19.705 19.000 0.007 0.000 0.937 494 A HN 0.348 nan 8.150 nan 0.000 0.487 495 G N -1.417 107.435 108.800 0.085 0.000 2.325 495 G HA2 0.416 4.375 3.960 -0.000 0.000 0.295 495 G HA3 0.416 4.375 3.960 -0.000 0.000 0.295 495 G C -1.023 173.973 174.900 0.160 0.000 1.274 495 G CA 0.028 45.216 45.100 0.147 0.000 0.857 495 G HN 0.259 nan 8.290 nan 0.000 0.499 496 S N -0.488 115.351 115.700 0.231 0.000 2.580 496 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 496 S C -0.942 173.689 174.600 0.051 0.000 1.329 496 S CA -0.065 58.191 58.200 0.093 0.000 1.036 496 S CB 1.022 64.302 63.200 0.133 0.000 0.919 496 S HN 0.670 nan 8.310 nan 0.000 0.515 497 F N 2.589 122.354 119.950 -0.310 0.000 2.520 497 F HA 0.681 5.208 4.527 0.000 0.000 0.322 497 F C -1.667 173.844 175.800 -0.481 0.000 1.103 497 F CA -1.164 56.719 58.000 -0.196 0.000 0.926 497 F CB 0.838 39.761 39.000 -0.129 0.000 1.154 497 F HN 0.450 nan 8.300 nan 0.000 0.453 498 F N 6.700 126.351 119.950 -0.499 0.000 2.518 498 F HA 0.509 5.036 4.527 0.000 0.000 0.323 498 F C -1.097 174.489 175.800 -0.357 0.000 1.129 498 F CA -0.924 56.911 58.000 -0.275 0.000 0.920 498 F CB 1.883 40.750 39.000 -0.222 0.000 1.160 498 F HN 0.329 nan 8.300 nan 0.000 0.440 499 L N 4.787 126.044 121.223 0.056 0.000 2.272 499 L HA 0.723 5.063 4.340 -0.000 0.000 0.289 499 L C -1.150 175.823 176.870 0.172 0.000 1.032 499 L CA -0.417 54.508 54.840 0.142 0.000 0.810 499 L CB 1.172 43.389 42.059 0.264 0.000 1.205 499 L HN 0.394 nan 8.230 nan 0.000 0.422 500 V N 5.317 125.333 119.914 0.169 0.000 2.334 500 V HA 0.251 4.371 4.120 -0.000 0.000 0.281 500 V C -0.213 176.009 176.094 0.213 0.000 1.016 500 V CA -0.568 61.819 62.300 0.146 0.000 0.832 500 V CB 1.030 32.893 31.823 0.066 0.000 0.999 500 V HN 0.753 nan 8.190 nan 0.000 0.439 501 H N 4.876 124.009 119.070 0.106 0.000 2.761 501 H HA 0.380 4.936 4.556 -0.000 0.000 0.284 501 H C -0.698 174.675 175.328 0.076 0.000 1.105 501 H CA -0.737 55.381 56.048 0.116 0.000 1.352 501 H CB 1.374 31.213 29.762 0.128 0.000 1.423 501 H HN 0.465 nan 8.280 nan 0.000 0.464 502 V N 6.326 126.287 119.914 0.077 0.000 2.287 502 V HA 0.044 4.164 4.120 -0.000 0.000 0.246 502 V C 1.169 177.126 176.094 -0.228 0.000 1.165 502 V CA 0.397 62.657 62.300 -0.066 0.000 1.088 502 V CB -0.025 31.799 31.823 0.001 0.000 1.242 502 V HN 0.889 nan 8.190 nan 0.000 0.497 503 A N 3.357 125.865 122.820 -0.521 0.000 2.268 503 A HA 0.112 4.432 4.320 -0.000 0.000 0.221 503 A C 1.179 178.669 177.584 -0.155 0.000 1.287 503 A CA -0.070 51.636 52.037 -0.552 0.000 0.902 503 A CB -0.695 17.942 19.000 -0.605 0.000 0.877 503 A HN 0.615 nan 8.150 nan 0.000 0.487 504 T N 3.281 117.785 114.554 -0.083 0.000 2.831 504 T HA 0.210 4.560 4.350 -0.000 0.000 0.291 504 T C -2.391 172.316 174.700 0.012 0.000 0.981 504 T CA -0.110 61.955 62.100 -0.059 0.000 1.174 504 T CB 0.221 69.061 68.868 -0.046 0.000 0.929 504 T HN 0.214 nan 8.240 nan 0.000 0.532 505 P HA 0.023 nan 4.420 nan 0.000 0.265 505 P C 0.969 178.215 177.300 -0.090 0.000 1.193 505 P CA -0.395 62.703 63.100 -0.003 0.000 0.765 505 P CB 0.438 32.139 31.700 0.002 0.000 0.823 506 L N 4.416 125.488 121.223 -0.252 0.000 2.081 506 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 506 L C 1.676 178.367 176.870 -0.299 0.000 1.080 506 L CA 2.134 56.678 54.840 -0.493 0.000 0.754 506 L CB -0.992 40.680 42.059 -0.645 0.000 0.893 506 L HN 0.317 nan 8.230 nan 0.000 0.433 507 E N -1.266 118.830 120.200 -0.174 0.000 2.038 507 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 507 E C 2.152 178.669 176.600 -0.138 0.000 1.000 507 E CA 1.795 58.107 56.400 -0.146 0.000 0.803 507 E CB -0.576 29.071 29.700 -0.088 0.000 0.750 507 E HN 0.747 nan 8.360 nan 0.000 0.448 508 H N -0.402 118.564 119.070 -0.174 0.000 2.319 508 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 508 H C 1.745 176.959 175.328 -0.189 0.000 1.097 508 H CA 2.041 57.992 56.048 -0.161 0.000 1.285 508 H CB -0.134 29.550 29.762 -0.129 0.000 1.368 508 H HN 0.237 nan 8.280 nan 0.000 0.495 509 C N 0.412 119.725 119.300 0.022 0.000 2.413 509 C HA -0.119 4.341 4.460 -0.000 0.000 0.276 509 C C 2.594 177.358 174.990 -0.377 0.000 1.236 509 C CA 1.303 60.278 59.018 -0.071 0.000 1.735 509 C CB -0.839 26.855 27.740 -0.077 0.000 2.031 509 C HN 0.717 nan 8.230 nan 0.000 0.474 510 E N 0.432 120.228 120.200 -0.675 0.000 2.072 510 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 510 E C 2.174 178.526 176.600 -0.414 0.000 0.985 510 E CA 1.078 56.930 56.400 -0.914 0.000 0.801 510 E CB -0.152 29.101 29.700 -0.746 0.000 0.750 510 E HN 0.645 nan 8.360 nan 0.000 0.452 511 Q N -0.318 119.308 119.800 -0.291 0.000 2.291 511 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 511 Q C 1.705 177.594 176.000 -0.186 0.000 0.970 511 Q CA 1.438 57.111 55.803 -0.216 0.000 0.876 511 Q CB 0.233 28.836 28.738 -0.224 0.000 0.935 511 Q HN 0.224 nan 8.270 nan 0.000 0.455 512 S N -0.816 114.782 115.700 -0.170 0.000 2.539 512 S HA 0.030 4.499 4.470 -0.000 0.000 0.221 512 S C 0.066 174.650 174.600 -0.027 0.000 0.987 512 S CA -0.423 57.718 58.200 -0.100 0.000 0.929 512 S CB 0.230 63.379 63.200 -0.085 0.000 0.832 512 S HN 0.145 nan 8.310 nan 0.000 0.492 513 D N 2.712 123.091 120.400 -0.035 0.000 2.346 513 D HA 0.107 4.747 4.640 -0.000 0.000 0.267 513 D C 0.768 177.086 176.300 0.031 0.000 1.320 513 D CA 0.257 54.285 54.000 0.046 0.000 0.951 513 D CB 0.565 41.437 40.800 0.120 0.000 1.079 513 D HN 0.239 nan 8.370 nan 0.000 0.509 514 K N 2.707 123.130 120.400 0.038 0.000 2.487 514 K HA 0.070 4.390 4.320 -0.000 0.000 0.192 514 K C 1.069 177.683 176.600 0.024 0.000 1.027 514 K CA 0.272 56.572 56.287 0.022 0.000 1.054 514 K CB 0.453 32.968 32.500 0.024 0.000 0.824 514 K HN 0.349 nan 8.250 nan 0.000 0.510 515 R N -0.038 120.484 120.500 0.038 0.000 2.362 515 R HA 0.095 4.435 4.340 -0.000 0.000 0.227 515 R C 0.747 177.053 176.300 0.010 0.000 0.905 515 R CA 0.296 56.412 56.100 0.027 0.000 1.067 515 R CB 0.592 30.915 30.300 0.039 0.000 1.078 515 R HN 0.189 nan 8.270 nan 0.000 0.516 516 G N 1.678 110.485 108.800 0.010 0.000 2.341 516 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.292 516 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.292 516 G C 0.613 175.485 174.900 -0.047 0.000 1.021 516 G CA 0.495 45.588 45.100 -0.011 0.000 0.905 516 G HN 0.368 nan 8.290 nan 0.000 0.508 517 I N -1.757 118.780 120.570 -0.054 0.000 2.494 517 I HA 0.005 4.175 4.170 -0.000 0.000 0.250 517 I C 2.334 178.212 176.117 -0.397 0.000 1.112 517 I CA 0.678 61.861 61.300 -0.196 0.000 1.438 517 I CB -0.218 37.684 38.000 -0.163 0.000 1.111 517 I HN 0.248 nan 8.210 nan 0.000 0.431 518 Y N 1.077 121.151 120.300 -0.376 0.000 2.333 518 Y HA -0.220 4.330 4.550 -0.000 0.000 0.290 518 Y C 2.566 178.292 175.900 -0.289 0.000 1.144 518 Y CA 1.220 59.062 58.100 -0.431 0.000 1.228 518 Y CB -0.478 37.851 38.460 -0.219 0.000 0.985 518 Y HN 0.140 nan 8.280 nan 0.000 0.542 519 A N 0.132 122.923 122.820 -0.048 0.000 1.845 519 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 519 A C 2.454 179.982 177.584 -0.092 0.000 1.195 519 A CA 1.891 53.895 52.037 -0.055 0.000 0.616 519 A CB -1.362 17.613 19.000 -0.041 0.000 0.832 519 A HN 0.381 nan 8.150 nan 0.000 0.443 520 A N -0.401 122.344 122.820 -0.124 0.000 2.024 520 A HA 0.138 4.458 4.320 -0.000 0.000 0.220 520 A C 2.421 179.918 177.584 -0.145 0.000 1.164 520 A CA 2.143 54.110 52.037 -0.118 0.000 0.643 520 A CB -0.876 18.055 19.000 -0.115 0.000 0.806 520 A HN 1.058 nan 8.150 nan 0.000 0.451 521 A N -0.597 122.073 122.820 -0.250 0.000 1.873 521 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 521 A C 2.182 179.704 177.584 -0.103 0.000 1.186 521 A CA 1.267 53.163 52.037 -0.235 0.000 0.616 521 A CB -0.403 18.296 19.000 -0.502 0.000 0.823 521 A HN 0.343 nan 8.150 nan 0.000 0.442 522 R N 0.228 120.676 120.500 -0.087 0.000 2.120 522 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 522 R C 1.467 177.752 176.300 -0.025 0.000 1.123 522 R CA 1.575 57.656 56.100 -0.032 0.000 0.975 522 R CB -0.512 29.776 30.300 -0.020 0.000 0.866 522 R HN 0.796 nan 8.270 nan 0.000 0.446 523 R N -0.424 120.054 120.500 -0.036 0.000 2.893 523 R HA 0.245 4.585 4.340 -0.000 0.000 0.317 523 R C 0.694 176.981 176.300 -0.021 0.000 1.239 523 R CA 0.527 56.612 56.100 -0.024 0.000 1.128 523 R CB -0.235 30.050 30.300 -0.025 0.000 1.377 523 R HN 0.069 nan 8.270 nan 0.000 0.583 524 G N 1.319 110.108 108.800 -0.019 0.000 2.225 524 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.272 524 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.272 524 G C 0.563 175.456 174.900 -0.012 0.000 0.996 524 G CA 1.015 46.110 45.100 -0.009 0.000 0.710 524 G HN 0.650 nan 8.290 nan 0.000 0.522 525 E N -0.841 119.343 120.200 -0.027 0.000 2.347 525 E HA 0.145 4.495 4.350 -0.000 0.000 0.196 525 E C 0.900 177.487 176.600 -0.022 0.000 1.008 525 E CA 0.492 56.878 56.400 -0.023 0.000 0.852 525 E CB 0.264 29.944 29.700 -0.033 0.000 0.783 525 E HN 0.640 nan 8.360 nan 0.000 0.505 526 I N 1.092 121.642 120.570 -0.033 0.000 2.448 526 I HA 0.187 4.357 4.170 -0.000 0.000 0.281 526 I C 0.065 176.199 176.117 0.028 0.000 1.027 526 I CA -0.582 60.709 61.300 -0.015 0.000 1.111 526 I CB 1.421 39.385 38.000 -0.060 0.000 1.236 526 I HN -0.148 nan 8.210 nan 0.000 0.452 527 K N 3.768 124.196 120.400 0.046 0.000 2.295 527 K HA 0.517 4.837 4.320 -0.000 0.000 0.270 527 K C 1.167 177.824 176.600 0.095 0.000 1.011 527 K CA 0.087 56.414 56.287 0.067 0.000 0.953 527 K CB 0.341 32.879 32.500 0.064 0.000 0.956 527 K HN 1.090 nan 8.250 nan 0.000 0.477 528 G N 0.475 109.339 108.800 0.106 0.000 2.321 528 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.287 528 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.287 528 G C -0.019 174.949 174.900 0.114 0.000 1.018 528 G CA 0.460 45.632 45.100 0.119 0.000 0.855 528 G HN 1.136 nan 8.290 nan 0.000 0.507 529 F N 2.249 122.176 119.950 -0.039 0.000 2.504 529 F HA 0.436 4.963 4.527 -0.000 0.000 0.369 529 F C 1.333 177.119 175.800 -0.024 0.000 1.082 529 F CA 0.143 58.083 58.000 -0.100 0.000 1.216 529 F CB 0.537 39.435 39.000 -0.171 0.000 1.108 529 F HN 0.108 nan 8.300 nan 0.000 0.554 530 T N 5.575 119.866 114.554 -0.439 0.000 2.867 530 T HA 0.276 4.626 4.350 -0.000 0.000 0.290 530 T C 1.088 175.889 174.700 0.168 0.000 1.025 530 T CA 1.365 63.389 62.100 -0.127 0.000 1.146 530 T CB 0.097 68.854 68.868 -0.186 0.000 1.024 530 T HN 1.129 nan 8.240 nan 0.000 0.519 531 G N 2.017 111.012 108.800 0.324 0.000 2.363 531 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.238 531 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.238 531 G C 0.950 176.014 174.900 0.274 0.000 1.062 531 G CA 0.314 45.652 45.100 0.396 0.000 0.629 531 G HN 0.634 nan 8.290 nan 0.000 0.514 532 V N 0.188 120.276 119.914 0.290 0.000 2.581 532 V HA 0.176 4.296 4.120 -0.000 0.000 0.240 532 V C 2.027 178.218 176.094 0.161 0.000 1.054 532 V CA 2.303 64.730 62.300 0.211 0.000 1.076 532 V CB -0.023 31.922 31.823 0.204 0.000 0.748 532 V HN 0.447 nan 8.190 nan 0.000 0.474 533 D N -0.902 119.599 120.400 0.169 0.000 3.136 533 D HA 0.115 4.755 4.640 -0.000 0.000 0.254 533 D C 0.130 176.505 176.300 0.125 0.000 1.563 533 D CA -0.062 54.016 54.000 0.129 0.000 1.225 533 D CB -0.063 40.810 40.800 0.121 0.000 1.079 533 D HN 0.264 nan 8.370 nan 0.000 0.314 534 D N 2.431 122.903 120.400 0.121 0.000 2.443 534 D HA 0.050 4.690 4.640 -0.000 0.000 0.234 534 D C -2.023 174.332 176.300 0.092 0.000 1.172 534 D CA -0.333 53.733 54.000 0.109 0.000 0.878 534 D CB 0.787 41.645 40.800 0.096 0.000 1.204 534 D HN -0.019 nan 8.370 nan 0.000 0.453 535 P HA 0.164 nan 4.420 nan 0.000 0.282 535 P C -1.443 175.803 177.300 -0.091 0.000 1.287 535 P CA -0.413 62.694 63.100 0.012 0.000 0.792 535 P CB 0.547 32.244 31.700 -0.006 0.000 1.163 536 Y N -0.854 119.348 120.300 -0.164 0.000 2.475 536 Y HA 0.253 4.803 4.550 -0.000 0.000 0.343 536 Y C -0.399 175.370 175.900 -0.217 0.000 1.068 536 Y CA -0.570 57.363 58.100 -0.278 0.000 1.307 536 Y CB 0.805 39.031 38.460 -0.390 0.000 1.097 536 Y HN 0.262 nan 8.280 nan 0.000 0.530 537 E N 3.706 123.480 120.200 -0.710 0.000 2.292 537 E HA 0.071 4.421 4.350 -0.000 0.000 0.265 537 E C -0.073 176.185 176.600 -0.570 0.000 1.093 537 E CA 0.248 56.378 56.400 -0.449 0.000 0.922 537 E CB 0.594 30.113 29.700 -0.302 0.000 1.001 537 E HN 0.519 nan 8.360 nan 0.000 0.444 538 T N 5.618 120.038 114.554 -0.225 0.000 2.902 538 T HA 0.079 4.429 4.350 -0.000 0.000 0.301 538 T C -2.104 172.487 174.700 -0.183 0.000 1.012 538 T CA -1.050 60.986 62.100 -0.105 0.000 1.151 538 T CB 0.334 69.260 68.868 0.096 0.000 0.946 538 T HN 0.226 nan 8.240 nan 0.000 0.542 539 P HA 0.310 nan 4.420 nan 0.000 0.267 539 P C 0.734 177.998 177.300 -0.059 0.000 1.205 539 P CA 0.070 63.060 63.100 -0.184 0.000 0.765 539 P CB 0.515 32.072 31.700 -0.238 0.000 0.828 540 E N 2.222 122.408 120.200 -0.023 0.000 2.075 540 E HA 0.139 4.489 4.350 -0.000 0.000 0.190 540 E C 1.214 177.836 176.600 0.036 0.000 0.969 540 E CA 1.261 57.669 56.400 0.013 0.000 0.815 540 E CB -0.631 29.071 29.700 0.005 0.000 0.776 540 E HN 0.443 nan 8.360 nan 0.000 0.457 541 K N 0.367 120.787 120.400 0.034 0.000 2.679 541 K HA 0.821 5.141 4.320 -0.000 0.000 0.188 541 K C -0.060 176.581 176.600 0.069 0.000 1.055 541 K CA 0.059 56.376 56.287 0.049 0.000 1.006 541 K CB 0.261 32.781 32.500 0.035 0.000 1.317 541 K HN 0.829 nan 8.250 nan 0.000 0.584 542 A N 0.246 123.123 122.820 0.096 0.000 2.271 542 A HA 0.517 4.837 4.320 -0.000 0.000 0.288 542 A C 0.515 178.174 177.584 0.124 0.000 1.094 542 A CA -0.253 51.861 52.037 0.128 0.000 0.828 542 A CB 0.409 19.512 19.000 0.173 0.000 1.091 542 A HN 0.613 nan 8.150 nan 0.000 0.493 543 D N -1.080 119.405 120.400 0.142 0.000 2.277 543 D HA 0.119 4.759 4.640 -0.000 0.000 0.208 543 D C -0.456 175.917 176.300 0.121 0.000 0.962 543 D CA 1.180 55.269 54.000 0.147 0.000 0.865 543 D CB 0.238 41.176 40.800 0.229 0.000 0.939 543 D HN 0.223 nan 8.370 nan 0.000 0.510 544 L N 0.268 121.560 121.223 0.116 0.000 2.592 544 L HA 0.230 4.570 4.340 -0.000 0.000 0.258 544 L C -1.701 175.226 176.870 0.095 0.000 0.926 544 L CA -0.598 54.290 54.840 0.081 0.000 0.885 544 L CB 2.404 44.490 42.059 0.045 0.000 1.380 544 L HN -0.364 nan 8.230 nan 0.000 0.415 545 V N 4.591 124.547 119.914 0.070 0.000 2.540 545 V HA 0.874 4.994 4.120 -0.000 0.000 0.302 545 V C -0.447 175.646 176.094 -0.003 0.000 1.035 545 V CA -0.437 61.892 62.300 0.048 0.000 0.873 545 V CB 1.802 33.665 31.823 0.067 0.000 0.992 545 V HN 0.683 nan 8.190 nan 0.000 0.428 546 V N 0.446 120.333 119.914 -0.045 0.000 3.160 546 V HA 0.910 5.030 4.120 -0.000 0.000 0.310 546 V C -1.619 174.437 176.094 -0.065 0.000 1.181 546 V CA -0.697 61.581 62.300 -0.035 0.000 1.047 546 V CB 2.530 34.341 31.823 -0.019 0.000 1.068 546 V HN 0.782 nan 8.190 nan 0.000 0.441 547 D N 0.717 121.103 120.400 -0.023 0.000 2.616 547 D HA 0.343 4.983 4.640 -0.000 0.000 0.238 547 D C -0.275 176.053 176.300 0.047 0.000 1.354 547 D CA -0.542 53.443 54.000 -0.025 0.000 0.970 547 D CB 1.595 42.369 40.800 -0.043 0.000 1.369 547 D HN 0.511 nan 8.370 nan 0.000 0.585 548 F N 2.716 122.566 119.950 -0.167 0.000 2.722 548 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 548 F C 1.407 177.061 175.800 -0.243 0.000 1.175 548 F CA 0.704 58.600 58.000 -0.173 0.000 1.462 548 F CB -0.150 38.747 39.000 -0.172 0.000 1.111 548 F HN 0.243 nan 8.300 nan 0.000 0.592 549 S N -0.335 115.206 115.700 -0.265 0.000 2.421 549 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 549 S C 1.778 176.327 174.600 -0.085 0.000 1.035 549 S CA 0.655 58.691 58.200 -0.272 0.000 0.953 549 S CB 0.213 63.311 63.200 -0.170 0.000 0.810 549 S HN 0.364 nan 8.310 nan 0.000 0.497 550 K N 0.275 120.651 120.400 -0.041 0.000 2.335 550 K HA 0.240 4.560 4.320 -0.000 0.000 0.195 550 K C 0.364 176.976 176.600 0.021 0.000 1.058 550 K CA 0.325 56.608 56.287 -0.007 0.000 0.988 550 K CB 0.404 32.903 32.500 -0.003 0.000 0.880 550 K HN 0.289 nan 8.250 nan 0.000 0.513 551 Q N 0.327 120.159 119.800 0.054 0.000 2.359 551 Q HA 0.317 4.657 4.340 -0.000 0.000 0.275 551 Q C -0.766 175.333 176.000 0.165 0.000 1.082 551 Q CA -0.908 54.944 55.803 0.082 0.000 0.849 551 Q CB 2.187 30.966 28.738 0.069 0.000 1.377 551 Q HN 0.029 nan 8.270 nan 0.000 0.452 552 S N -0.853 114.934 115.700 0.145 0.000 2.690 552 S HA 0.319 4.789 4.470 -0.000 0.000 0.291 552 S C 1.002 175.673 174.600 0.119 0.000 1.138 552 S CA -0.794 57.530 58.200 0.207 0.000 1.013 552 S CB 1.127 64.409 63.200 0.135 0.000 1.053 552 S HN 0.412 nan 8.310 nan 0.000 0.539 553 V N 1.563 121.515 119.914 0.063 0.000 2.250 553 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 553 V C 2.914 178.994 176.094 -0.023 0.000 1.060 553 V CA 2.508 64.755 62.300 -0.088 0.000 1.030 553 V CB -1.051 30.692 31.823 -0.133 0.000 0.643 553 V HN 0.958 nan 8.190 nan 0.000 0.445 554 R N 0.364 120.871 120.500 0.011 0.000 2.105 554 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 554 R C 2.429 178.752 176.300 0.038 0.000 1.135 554 R CA 1.889 57.998 56.100 0.015 0.000 0.967 554 R CB -0.240 30.066 30.300 0.010 0.000 0.861 554 R HN 0.728 nan 8.270 nan 0.000 0.442 555 S N -0.908 114.821 115.700 0.048 0.000 2.501 555 S HA 0.034 4.504 4.470 -0.000 0.000 0.220 555 S C 1.875 176.527 174.600 0.086 0.000 0.997 555 S CA 0.129 58.380 58.200 0.085 0.000 0.919 555 S CB -0.053 63.187 63.200 0.066 0.000 0.778 555 S HN 0.254 nan 8.310 nan 0.000 0.523 556 I N 1.452 122.045 120.570 0.038 0.000 2.202 556 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 556 I C 2.386 178.499 176.117 -0.007 0.000 1.091 556 I CA 0.903 62.207 61.300 0.006 0.000 1.368 556 I CB -0.317 37.667 38.000 -0.027 0.000 1.058 556 I HN 0.168 nan 8.210 nan 0.000 0.410 557 V N 0.422 120.332 119.914 -0.005 0.000 2.380 557 V HA -0.366 3.754 4.120 -0.000 0.000 0.251 557 V C 2.469 178.571 176.094 0.013 0.000 1.063 557 V CA 2.446 64.739 62.300 -0.011 0.000 1.055 557 V CB -0.964 30.857 31.823 -0.003 0.000 0.657 557 V HN 0.527 nan 8.190 nan 0.000 0.455 558 H N 0.102 119.147 119.070 -0.040 0.000 2.423 558 H HA -0.146 4.410 4.556 -0.000 0.000 0.297 558 H C 2.267 177.567 175.328 -0.046 0.000 1.075 558 H CA 2.029 58.055 56.048 -0.038 0.000 1.342 558 H CB 0.066 29.814 29.762 -0.024 0.000 1.395 558 H HN 0.576 nan 8.280 nan 0.000 0.530 559 E N -0.102 120.042 120.200 -0.093 0.000 2.107 559 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 559 E C 2.060 178.552 176.600 -0.180 0.000 0.982 559 E CA 1.078 57.386 56.400 -0.154 0.000 0.809 559 E CB -0.014 29.653 29.700 -0.055 0.000 0.756 559 E HN 0.585 nan 8.360 nan 0.000 0.459 560 I N 0.963 121.441 120.570 -0.154 0.000 2.142 560 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 560 I C 2.221 178.178 176.117 -0.267 0.000 1.078 560 I CA 0.556 61.736 61.300 -0.201 0.000 1.343 560 I CB -0.268 37.633 38.000 -0.164 0.000 1.046 560 I HN 0.239 nan 8.210 nan 0.000 0.405 561 I N 0.854 121.294 120.570 -0.217 0.000 2.194 561 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 561 I C 2.582 178.558 176.117 -0.235 0.000 1.093 561 I CA 1.927 63.105 61.300 -0.204 0.000 1.355 561 I CB -1.071 36.857 38.000 -0.121 0.000 1.046 561 I HN 0.260 nan 8.210 nan 0.000 0.413 562 L N -0.471 120.574 121.223 -0.297 0.000 2.131 562 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 562 L C 2.565 179.323 176.870 -0.187 0.000 1.092 562 L CA 0.733 55.422 54.840 -0.251 0.000 0.759 562 L CB -0.520 41.357 42.059 -0.303 0.000 0.903 562 L HN 0.028 nan 8.230 nan 0.000 0.435 563 V N -0.217 119.562 119.914 -0.224 0.000 2.307 563 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 563 V C 2.335 178.267 176.094 -0.271 0.000 1.045 563 V CA 1.589 63.759 62.300 -0.217 0.000 1.024 563 V CB -0.326 31.331 31.823 -0.276 0.000 0.651 563 V HN 0.326 nan 8.190 nan 0.000 0.449 564 L N -0.094 120.870 121.223 -0.431 0.000 2.079 564 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 564 L C 2.732 179.556 176.870 -0.076 0.000 1.081 564 L CA 1.714 56.300 54.840 -0.424 0.000 0.752 564 L CB -0.576 41.133 42.059 -0.583 0.000 0.896 564 L HN 0.391 nan 8.230 nan 0.000 0.433 565 E N 0.332 120.474 120.200 -0.096 0.000 2.047 565 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 565 E C 2.284 178.876 176.600 -0.013 0.000 0.987 565 E CA 1.648 58.028 56.400 -0.034 0.000 0.799 565 E CB 0.014 29.683 29.700 -0.053 0.000 0.752 565 E HN 0.522 nan 8.360 nan 0.000 0.449 566 S N 0.226 115.912 115.700 -0.024 0.000 2.419 566 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 566 S C 1.784 176.399 174.600 0.025 0.000 1.019 566 S CA 1.069 59.268 58.200 -0.002 0.000 0.982 566 S CB -0.319 62.880 63.200 -0.002 0.000 0.789 566 S HN 0.283 nan 8.310 nan 0.000 0.490 567 Q N 0.480 120.326 119.800 0.075 0.000 2.360 567 Q HA 0.329 4.669 4.340 -0.000 0.000 0.202 567 Q C 1.262 177.220 176.000 -0.070 0.000 0.915 567 Q CA 0.257 56.119 55.803 0.098 0.000 0.943 567 Q CB 0.243 29.179 28.738 0.330 0.000 1.064 567 Q HN 0.812 nan 8.270 nan 0.000 0.511 568 G N 0.061 108.824 108.800 -0.061 0.000 2.175 568 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 568 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 568 G C 0.429 175.220 174.900 -0.182 0.000 0.982 568 G CA 0.004 45.018 45.100 -0.143 0.000 0.641 568 G HN 0.402 nan 8.290 nan 0.000 0.527 569 F N 0.406 120.335 119.950 -0.035 0.000 2.365 569 F HA 0.260 4.787 4.527 -0.000 0.000 0.300 569 F C 2.422 178.230 175.800 0.013 0.000 1.090 569 F CA 1.364 59.358 58.000 -0.009 0.000 1.408 569 F CB -0.021 38.904 39.000 -0.126 0.000 1.060 569 F HN 0.249 nan 8.300 nan 0.000 0.534 570 L N -1.274 120.028 121.223 0.132 0.000 2.640 570 L HA 0.116 4.456 4.340 -0.000 0.000 0.230 570 L C 1.099 177.999 176.870 0.051 0.000 1.123 570 L CA -0.202 54.691 54.840 0.090 0.000 0.900 570 L CB -0.348 41.742 42.059 0.051 0.000 1.146 570 L HN -0.097 nan 8.230 nan 0.000 0.484 571 E N 1.177 121.395 120.200 0.029 0.000 2.494 571 E HA 0.020 4.370 4.350 -0.000 0.000 0.262 571 E C 0.119 176.732 176.600 0.022 0.000 1.294 571 E CA 0.263 56.669 56.400 0.011 0.000 1.062 571 E CB 0.540 30.233 29.700 -0.012 0.000 0.982 571 E HN -0.077 nan 8.360 nan 0.000 0.495 572 R N 0.908 121.416 120.500 0.014 0.000 2.368 572 R HA 0.177 4.517 4.340 -0.000 0.000 0.302 572 R C 0.090 176.399 176.300 0.015 0.000 1.002 572 R CA -0.298 55.813 56.100 0.017 0.000 0.929 572 R CB 0.682 30.990 30.300 0.014 0.000 1.073 572 R HN 0.438 nan 8.270 nan 0.000 0.464 573 Q N 0.000 119.812 119.800 0.020 0.000 2.315 573 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 573 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 573 Q CB 0.000 28.753 28.738 0.024 0.000 1.108 573 Q HN 0.000 nan 8.270 nan 0.000 0.481