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 1owp_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 0.000 177.596 177.584 0.021 0.000 1.274 2 A CA 0.000 52.047 52.037 0.017 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 A N 1.641 124.475 122.820 0.024 0.000 2.938 3 A HA 0.683 5.003 4.320 -0.000 0.000 0.344 3 A C -2.731 174.874 177.584 0.036 0.000 1.142 3 A CA -1.252 50.802 52.037 0.029 0.000 0.841 3 A CB -0.104 18.913 19.000 0.028 0.000 1.083 3 A HN 0.370 nan 8.150 nan 0.000 0.479 4 P HA 0.520 nan 4.420 nan 0.000 0.284 4 P C -0.583 176.756 177.300 0.065 0.000 1.258 4 P CA -0.235 62.893 63.100 0.047 0.000 0.824 4 P CB 1.630 33.355 31.700 0.042 0.000 1.038 5 I N 2.425 123.040 120.570 0.075 0.000 2.404 5 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 5 I C 0.242 176.441 176.117 0.138 0.000 0.992 5 I CA -1.060 60.306 61.300 0.110 0.000 1.149 5 I CB 1.616 39.655 38.000 0.064 0.000 1.315 5 I HN 0.118 nan 8.210 nan 0.000 0.446 6 L N 5.904 127.235 121.223 0.179 0.000 2.295 6 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 6 L C -0.865 176.185 176.870 0.300 0.000 1.035 6 L CA -0.509 54.447 54.840 0.192 0.000 0.806 6 L CB 1.458 43.594 42.059 0.130 0.000 1.214 6 L HN 0.430 nan 8.230 nan 0.000 0.426 7 F N 3.279 123.352 119.950 0.206 0.000 2.426 7 F HA 0.348 4.875 4.527 -0.000 0.000 0.348 7 F C -0.790 175.201 175.800 0.318 0.000 1.124 7 F CA -0.723 57.425 58.000 0.248 0.000 1.008 7 F CB 1.074 40.164 39.000 0.151 0.000 1.139 7 F HN 0.416 nan 8.300 nan 0.000 0.452 8 W N 8.228 129.158 121.300 -0.617 0.000 2.308 8 W HA 0.354 5.014 4.660 -0.000 0.000 0.311 8 W C -1.002 175.251 176.519 -0.443 0.000 1.088 8 W CA -1.022 56.115 57.345 -0.348 0.000 1.309 8 W CB -0.175 29.150 29.460 -0.225 0.000 1.229 8 W HN 0.558 nan 8.180 nan 0.000 0.427 9 H N 4.826 124.037 119.070 0.235 0.000 2.525 9 H HA 0.389 4.945 4.556 -0.000 0.000 0.339 9 H C 0.555 175.979 175.328 0.159 0.000 1.109 9 H CA 0.289 56.521 56.048 0.306 0.000 1.352 9 H CB 1.558 31.657 29.762 0.560 0.000 1.461 9 H HN 0.400 nan 8.280 nan 0.000 0.533 10 R N 0.833 121.464 120.500 0.218 0.000 4.528 10 R HA 0.264 4.604 4.340 -0.000 0.000 0.121 10 R C 0.429 176.936 176.300 0.347 0.000 0.727 10 R CA -0.180 56.011 56.100 0.151 0.000 0.977 10 R CB 0.500 30.634 30.300 -0.277 0.000 1.506 10 R HN 0.294 nan 8.270 nan 0.000 0.428 11 R N 1.883 122.522 120.500 0.232 0.000 2.652 11 R HA 0.217 4.557 4.340 -0.000 0.000 0.372 11 R C -0.864 175.602 176.300 0.276 0.000 1.104 11 R CA 0.140 56.395 56.100 0.258 0.000 1.072 11 R CB 0.734 31.103 30.300 0.116 0.000 1.367 11 R HN 0.340 nan 8.270 nan 0.000 0.577 12 D N -0.177 120.432 120.400 0.348 0.000 2.879 12 D HA 0.051 4.691 4.640 -0.000 0.000 0.351 12 D C 0.085 176.661 176.300 0.461 0.000 1.239 12 D CA -0.395 53.824 54.000 0.364 0.000 0.771 12 D CB -0.274 40.746 40.800 0.367 0.000 1.176 12 D HN 0.010 nan 8.370 nan 0.000 0.496 13 L N 1.631 123.047 121.223 0.321 0.000 2.436 13 L HA 0.256 4.596 4.340 -0.000 0.000 0.244 13 L C 0.582 177.497 176.870 0.075 0.000 1.396 13 L CA 0.078 55.009 54.840 0.152 0.000 1.217 13 L CB -0.918 41.160 42.059 0.032 0.000 1.420 13 L HN 0.226 nan 8.230 nan 0.000 0.434 14 R N -0.206 120.368 120.500 0.123 0.000 2.712 14 R HA 0.373 4.713 4.340 -0.000 0.000 0.272 14 R C -0.604 175.729 176.300 0.055 0.000 1.032 14 R CA -1.027 55.105 56.100 0.053 0.000 0.874 14 R CB 1.128 31.472 30.300 0.073 0.000 1.256 14 R HN -0.036 nan 8.270 nan 0.000 0.468 15 L N 0.770 121.965 121.223 -0.046 0.000 2.515 15 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 15 L C 0.326 177.145 176.870 -0.085 0.000 1.079 15 L CA 0.908 55.676 54.840 -0.119 0.000 0.857 15 L CB 0.563 42.482 42.059 -0.233 0.000 1.050 15 L HN 0.831 nan 8.230 nan 0.000 0.476 16 S N -1.423 114.252 115.700 -0.042 0.000 2.632 16 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 16 S C 0.299 174.900 174.600 0.002 0.000 1.260 16 S CA -0.357 57.830 58.200 -0.023 0.000 1.010 16 S CB 0.971 64.167 63.200 -0.006 0.000 0.965 16 S HN 0.276 nan 8.310 nan 0.000 0.534 17 D N 0.697 121.100 120.400 0.006 0.000 2.829 17 D HA -0.234 4.405 4.640 -0.000 0.000 0.219 17 D C -0.758 175.562 176.300 0.032 0.000 1.239 17 D CA 0.790 54.805 54.000 0.026 0.000 0.685 17 D CB -1.439 39.392 40.800 0.053 0.000 0.950 17 D HN 0.620 nan 8.370 nan 0.000 0.398 18 N N 2.566 121.263 118.700 -0.005 0.000 2.531 18 N HA 0.109 4.849 4.740 -0.000 0.000 0.268 18 N C 1.347 176.840 175.510 -0.028 0.000 1.023 18 N CA -0.766 52.277 53.050 -0.012 0.000 0.896 18 N CB 0.642 39.076 38.487 -0.089 0.000 1.233 18 N HN 0.020 nan 8.380 nan 0.000 0.512 19 I N 2.220 122.815 120.570 0.042 0.000 2.087 19 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 19 I C 2.260 178.423 176.117 0.076 0.000 1.054 19 I CA 1.758 63.096 61.300 0.062 0.000 1.311 19 I CB -1.376 36.686 38.000 0.104 0.000 1.024 19 I HN 0.592 nan 8.210 nan 0.000 0.402 20 G N 0.469 109.364 108.800 0.159 0.000 2.422 20 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 20 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 20 G C 1.758 176.731 174.900 0.121 0.000 1.146 20 G CA 0.508 45.816 45.100 0.345 0.000 0.769 20 G HN 0.301 nan 8.290 nan 0.000 0.547 21 L N 1.203 122.151 121.223 -0.457 0.000 2.056 21 L HA 0.232 4.572 4.340 -0.000 0.000 0.207 21 L C 3.043 179.721 176.870 -0.320 0.000 1.078 21 L CA 1.938 56.319 54.840 -0.765 0.000 0.749 21 L CB -0.602 40.891 42.059 -0.942 0.000 0.901 21 L HN 0.225 nan 8.230 nan 0.000 0.433 22 A N -0.754 121.952 122.820 -0.191 0.000 1.930 22 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 22 A C 2.423 179.953 177.584 -0.089 0.000 1.175 22 A CA 1.523 53.493 52.037 -0.113 0.000 0.627 22 A CB -0.997 17.967 19.000 -0.061 0.000 0.815 22 A HN 0.512 nan 8.150 nan 0.000 0.443 23 A N -0.089 122.701 122.820 -0.050 0.000 1.898 23 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 23 A C 2.479 179.955 177.584 -0.180 0.000 1.181 23 A CA 1.928 53.963 52.037 -0.003 0.000 0.620 23 A CB -0.933 18.172 19.000 0.175 0.000 0.819 23 A HN 0.998 nan 8.150 nan 0.000 0.442 24 A N -0.200 122.350 122.820 -0.449 0.000 1.902 24 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 24 A C 2.167 179.552 177.584 -0.331 0.000 1.181 24 A CA 2.022 53.591 52.037 -0.780 0.000 0.623 24 A CB -0.406 18.174 19.000 -0.701 0.000 0.818 24 A HN 0.440 nan 8.150 nan 0.000 0.443 25 R N 0.205 120.585 120.500 -0.201 0.000 2.189 25 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 25 R C 1.793 178.046 176.300 -0.078 0.000 1.092 25 R CA 1.487 57.521 56.100 -0.110 0.000 0.989 25 R CB -0.675 29.571 30.300 -0.089 0.000 0.876 25 R HN 0.377 nan 8.270 nan 0.000 0.457 26 A N -0.430 122.343 122.820 -0.078 0.000 2.167 26 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 26 A C 1.413 178.980 177.584 -0.028 0.000 1.151 26 A CA 0.634 52.647 52.037 -0.039 0.000 0.735 26 A CB -0.036 18.951 19.000 -0.022 0.000 0.802 26 A HN 0.273 nan 8.150 nan 0.000 0.467 27 Q N -1.063 118.707 119.800 -0.051 0.000 2.392 27 Q HA 0.203 4.543 4.340 -0.000 0.000 0.219 27 Q C 0.172 176.163 176.000 -0.015 0.000 0.895 27 Q CA 0.804 56.596 55.803 -0.019 0.000 0.929 27 Q CB 0.638 29.374 28.738 -0.003 0.000 1.077 27 Q HN 0.482 nan 8.270 nan 0.000 0.532 28 S N -1.742 113.938 115.700 -0.034 0.000 2.558 28 S HA 0.574 5.044 4.470 -0.000 0.000 0.277 28 S C -0.657 173.936 174.600 -0.011 0.000 1.143 28 S CA 0.097 58.290 58.200 -0.012 0.000 0.865 28 S CB 1.113 64.314 63.200 0.002 0.000 1.102 28 S HN 0.049 nan 8.310 nan 0.000 0.454 29 A N 2.422 125.244 122.820 0.004 0.000 2.081 29 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 29 A C 1.206 178.808 177.584 0.029 0.000 1.158 29 A CA 0.537 52.581 52.037 0.012 0.000 0.724 29 A CB -0.353 18.654 19.000 0.012 0.000 0.826 29 A HN 0.771 nan 8.150 nan 0.000 0.463 30 Q N 0.587 120.406 119.800 0.031 0.000 3.184 30 Q HA 0.301 4.641 4.340 -0.000 0.000 0.288 30 Q C -1.201 174.833 176.000 0.058 0.000 1.412 30 Q CA -0.314 55.515 55.803 0.043 0.000 0.991 30 Q CB -0.393 28.366 28.738 0.036 0.000 1.688 30 Q HN 0.358 nan 8.270 nan 0.000 0.554 31 L N 3.837 125.107 121.223 0.079 0.000 2.255 31 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 31 L C -1.105 175.865 176.870 0.167 0.000 1.046 31 L CA -0.326 54.585 54.840 0.117 0.000 0.816 31 L CB 0.969 43.095 42.059 0.112 0.000 1.197 31 L HN 0.319 nan 8.230 nan 0.000 0.427 32 I N 4.998 125.645 120.570 0.128 0.000 2.362 32 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 32 I C 0.862 176.985 176.117 0.010 0.000 0.994 32 I CA -0.417 60.905 61.300 0.037 0.000 1.158 32 I CB 0.969 38.980 38.000 0.018 0.000 1.315 32 I HN 0.639 nan 8.210 nan 0.000 0.451 33 G N 6.167 114.760 108.800 -0.347 0.000 2.537 33 G HA2 0.629 4.589 3.960 -0.000 0.000 0.273 33 G HA3 0.629 4.589 3.960 -0.000 0.000 0.273 33 G C -0.710 174.171 174.900 -0.032 0.000 1.189 33 G CA -0.350 44.643 45.100 -0.179 0.000 0.881 33 G HN 0.672 nan 8.290 nan 0.000 0.535 34 L N -1.421 119.955 121.223 0.254 0.000 2.556 34 L HA 0.892 5.232 4.340 -0.000 0.000 0.257 34 L C -1.775 175.349 176.870 0.424 0.000 0.955 34 L CA -1.132 53.834 54.840 0.211 0.000 0.850 34 L CB 2.260 44.366 42.059 0.079 0.000 1.398 34 L HN 0.487 nan 8.230 nan 0.000 0.412 35 F N 2.703 122.759 119.950 0.178 0.000 2.561 35 F HA 0.715 5.242 4.527 -0.000 0.000 0.313 35 F C -1.091 174.797 175.800 0.147 0.000 1.126 35 F CA -0.784 57.362 58.000 0.242 0.000 0.918 35 F CB 1.802 40.904 39.000 0.169 0.000 1.199 35 F HN 0.938 nan 8.300 nan 0.000 0.444 36 C N 8.100 127.119 119.300 -0.467 0.000 2.281 36 C HA 0.597 5.057 4.460 -0.000 0.000 0.323 36 C C -0.336 174.454 174.990 -0.333 0.000 1.270 36 C CA -0.865 57.981 59.018 -0.286 0.000 1.559 36 C CB -0.506 27.079 27.740 -0.258 0.000 2.239 36 C HN 0.774 nan 8.230 nan 0.000 0.488 37 L N 5.863 127.073 121.223 -0.021 0.000 2.454 37 L HA 0.208 4.548 4.340 -0.000 0.000 0.284 37 L C 0.337 177.234 176.870 0.046 0.000 1.139 37 L CA 0.317 55.220 54.840 0.105 0.000 0.911 37 L CB -0.197 41.968 42.059 0.176 0.000 1.262 37 L HN 0.665 nan 8.230 nan 0.000 0.453 38 D N 5.537 125.958 120.400 0.035 0.000 2.336 38 D HA 0.150 4.790 4.640 -0.000 0.000 0.249 38 D C -1.539 174.800 176.300 0.064 0.000 1.213 38 D CA -2.154 51.879 54.000 0.056 0.000 0.870 38 D CB 1.721 42.580 40.800 0.098 0.000 1.076 38 D HN 0.146 nan 8.370 nan 0.000 0.483 39 P HA -0.165 nan 4.420 nan 0.000 0.217 39 P C 1.020 178.334 177.300 0.024 0.000 1.148 39 P CA 1.240 64.367 63.100 0.046 0.000 0.828 39 P CB 0.246 31.965 31.700 0.032 0.000 0.783 40 Q N -1.473 118.332 119.800 0.008 0.000 2.364 40 Q HA -0.058 4.281 4.340 -0.000 0.000 0.207 40 Q C 1.889 177.798 176.000 -0.152 0.000 0.970 40 Q CA 0.873 56.634 55.803 -0.071 0.000 0.888 40 Q CB -0.255 28.433 28.738 -0.082 0.000 0.951 40 Q HN 0.369 nan 8.270 nan 0.000 0.469 41 I N -0.552 119.969 120.570 -0.082 0.000 2.685 41 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 41 I C 1.929 178.059 176.117 0.022 0.000 1.102 41 I CA 0.427 61.688 61.300 -0.065 0.000 1.442 41 I CB -0.015 37.992 38.000 0.012 0.000 1.194 41 I HN 0.121 nan 8.210 nan 0.000 0.448 42 L N 0.543 121.811 121.223 0.075 0.000 2.083 42 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 42 L C 2.249 179.234 176.870 0.191 0.000 1.083 42 L CA 1.348 56.274 54.840 0.143 0.000 0.752 42 L CB -0.496 41.668 42.059 0.175 0.000 0.899 42 L HN 0.356 nan 8.230 nan 0.000 0.433 43 Q N -0.654 119.214 119.800 0.112 0.000 2.403 43 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 43 Q C 0.933 176.970 176.000 0.061 0.000 0.932 43 Q CA -0.020 55.837 55.803 0.090 0.000 0.945 43 Q CB 0.341 29.106 28.738 0.045 0.000 1.045 43 Q HN 0.282 nan 8.270 nan 0.000 0.511 44 S N 0.416 116.141 115.700 0.043 0.000 2.560 44 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 44 S C 1.161 175.784 174.600 0.038 0.000 1.327 44 S CA 0.215 58.422 58.200 0.012 0.000 1.055 44 S CB 1.006 64.190 63.200 -0.027 0.000 0.868 44 S HN 0.385 nan 8.310 nan 0.000 0.506 45 A N 3.503 126.336 122.820 0.022 0.000 2.172 45 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 45 A C 1.218 178.817 177.584 0.025 0.000 1.154 45 A CA 1.096 53.152 52.037 0.032 0.000 0.701 45 A CB -0.266 18.751 19.000 0.027 0.000 0.789 45 A HN 0.830 nan 8.150 nan 0.000 0.465 46 D N -0.991 119.415 120.400 0.010 0.000 2.358 46 D HA 0.176 4.816 4.640 -0.000 0.000 0.224 46 D C 0.175 176.465 176.300 -0.016 0.000 1.123 46 D CA 0.083 54.081 54.000 -0.004 0.000 0.833 46 D CB 0.079 40.874 40.800 -0.007 0.000 0.946 46 D HN 0.405 nan 8.370 nan 0.000 0.505 47 M N 1.235 120.838 119.600 0.006 0.000 2.180 47 M HA 0.444 4.924 4.480 -0.000 0.000 0.358 47 M C -0.701 175.564 176.300 -0.059 0.000 1.233 47 M CA -0.949 54.345 55.300 -0.009 0.000 1.114 47 M CB 1.112 33.742 32.600 0.050 0.000 1.594 47 M HN -0.078 nan 8.290 nan 0.000 0.467 48 A N 7.314 130.053 122.820 -0.135 0.000 2.301 48 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 48 A C -2.117 175.303 177.584 -0.274 0.000 1.185 48 A CA -1.398 50.509 52.037 -0.216 0.000 0.830 48 A CB -0.002 18.858 19.000 -0.233 0.000 1.112 48 A HN 0.796 nan 8.150 nan 0.000 0.508 49 P HA -0.180 nan 4.420 nan 0.000 0.216 49 P C 1.617 178.684 177.300 -0.388 0.000 1.150 49 P CA 2.176 65.179 63.100 -0.162 0.000 0.837 49 P CB 0.249 32.060 31.700 0.184 0.000 0.786 50 A N -0.632 121.721 122.820 -0.779 0.000 1.969 50 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 50 A C 2.349 179.687 177.584 -0.409 0.000 1.169 50 A CA 1.430 52.712 52.037 -1.258 0.000 0.635 50 A CB -0.999 17.045 19.000 -1.594 0.000 0.810 50 A HN 0.028 nan 8.150 nan 0.000 0.445 51 R N -0.717 119.627 120.500 -0.259 0.000 2.090 51 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 51 R C 1.884 178.120 176.300 -0.107 0.000 1.110 51 R CA 1.338 57.431 56.100 -0.011 0.000 0.973 51 R CB -0.215 30.131 30.300 0.077 0.000 0.869 51 R HN 0.339 nan 8.270 nan 0.000 0.440 52 V N 0.572 120.325 119.914 -0.268 0.000 2.427 52 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 52 V C 2.319 178.286 176.094 -0.212 0.000 1.051 52 V CA 1.800 63.894 62.300 -0.342 0.000 1.048 52 V CB -0.539 30.855 31.823 -0.716 0.000 0.666 52 V HN 0.448 nan 8.190 nan 0.000 0.456 53 A N -0.706 122.061 122.820 -0.088 0.000 1.877 53 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 53 A C 2.176 179.773 177.584 0.021 0.000 1.186 53 A CA 2.045 54.152 52.037 0.117 0.000 0.620 53 A CB -0.768 18.475 19.000 0.405 0.000 0.822 53 A HN 0.599 nan 8.150 nan 0.000 0.443 54 Y N -0.011 120.203 120.300 -0.143 0.000 2.114 54 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 54 Y C 2.096 177.675 175.900 -0.534 0.000 1.143 54 Y CA 1.851 59.673 58.100 -0.462 0.000 1.135 54 Y CB -0.403 37.874 38.460 -0.305 0.000 0.980 54 Y HN 0.265 nan 8.280 nan 0.000 0.499 55 L N 0.667 121.544 121.223 -0.576 0.000 1.971 55 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 55 L C 2.486 179.020 176.870 -0.559 0.000 1.072 55 L CA 2.415 56.771 54.840 -0.807 0.000 0.758 55 L CB -1.273 40.347 42.059 -0.731 0.000 0.889 55 L HN 0.357 nan 8.230 nan 0.000 0.433 56 Q N -0.270 119.301 119.800 -0.382 0.000 2.152 56 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 56 Q C 2.025 177.849 176.000 -0.293 0.000 0.985 56 Q CA 1.958 57.596 55.803 -0.277 0.000 0.863 56 Q CB -0.611 28.039 28.738 -0.146 0.000 0.904 56 Q HN 0.710 nan 8.270 nan 0.000 0.422 57 G N -0.208 108.379 108.800 -0.356 0.000 2.408 57 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 57 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 57 G C 1.696 176.346 174.900 -0.416 0.000 1.150 57 G CA 0.879 45.758 45.100 -0.368 0.000 0.776 57 G HN 0.457 nan 8.290 nan 0.000 0.542 58 C N 0.299 119.269 119.300 -0.551 0.000 2.440 58 C HA 0.120 4.580 4.460 -0.000 0.000 0.278 58 C C 2.868 177.661 174.990 -0.329 0.000 1.295 58 C CA 0.313 59.057 59.018 -0.456 0.000 1.738 58 C CB -0.992 26.459 27.740 -0.481 0.000 1.987 58 C HN 0.415 nan 8.230 nan 0.000 0.492 59 L N 0.204 121.209 121.223 -0.363 0.000 2.093 59 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 59 L C 2.821 179.572 176.870 -0.200 0.000 1.085 59 L CA 1.405 56.056 54.840 -0.316 0.000 0.755 59 L CB -0.793 41.023 42.059 -0.404 0.000 0.904 59 L HN 0.450 nan 8.230 nan 0.000 0.435 60 Q N -0.173 119.516 119.800 -0.186 0.000 2.096 60 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 60 Q C 2.128 178.067 176.000 -0.102 0.000 0.982 60 Q CA 1.942 57.672 55.803 -0.122 0.000 0.850 60 Q CB -0.114 28.555 28.738 -0.115 0.000 0.901 60 Q HN 0.507 nan 8.270 nan 0.000 0.422 61 E N 0.355 120.477 120.200 -0.130 0.000 2.072 61 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 61 E C 1.954 178.507 176.600 -0.078 0.000 0.985 61 E CA 0.425 56.764 56.400 -0.102 0.000 0.801 61 E CB 0.047 29.672 29.700 -0.125 0.000 0.750 61 E HN 0.153 nan 8.360 nan 0.000 0.452 62 L N 1.402 122.568 121.223 -0.095 0.000 2.131 62 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 62 L C 2.069 178.979 176.870 0.066 0.000 1.092 62 L CA 1.711 56.523 54.840 -0.048 0.000 0.759 62 L CB -0.348 41.648 42.059 -0.105 0.000 0.903 62 L HN 0.176 nan 8.230 nan 0.000 0.435 63 Q N -1.135 118.680 119.800 0.025 0.000 2.050 63 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 63 Q C 2.202 178.248 176.000 0.076 0.000 0.980 63 Q CA 2.004 57.844 55.803 0.062 0.000 0.840 63 Q CB -0.250 28.493 28.738 0.009 0.000 0.898 63 Q HN 0.664 nan 8.270 nan 0.000 0.424 64 Q N 0.019 119.834 119.800 0.025 0.000 2.050 64 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 64 Q C 2.216 178.226 176.000 0.016 0.000 0.980 64 Q CA 0.768 56.580 55.803 0.015 0.000 0.840 64 Q CB -0.027 28.703 28.738 -0.013 0.000 0.898 64 Q HN 0.224 nan 8.270 nan 0.000 0.424 65 R N -0.079 120.414 120.500 -0.012 0.000 2.091 65 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 65 R C 2.036 178.290 176.300 -0.077 0.000 1.136 65 R CA 1.430 57.488 56.100 -0.070 0.000 0.959 65 R CB -0.632 29.587 30.300 -0.136 0.000 0.856 65 R HN 0.383 nan 8.270 nan 0.000 0.437 66 Y N 1.144 121.441 120.300 -0.005 0.000 2.242 66 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 66 Y C 2.772 178.680 175.900 0.014 0.000 1.137 66 Y CA 1.319 59.429 58.100 0.017 0.000 1.181 66 Y CB -0.215 38.266 38.460 0.034 0.000 0.989 66 Y HN 0.048 nan 8.280 nan 0.000 0.527 67 Q N 0.535 120.431 119.800 0.161 0.000 2.050 67 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 67 Q C 2.010 178.044 176.000 0.057 0.000 0.980 67 Q CA 1.846 57.705 55.803 0.093 0.000 0.840 67 Q CB -0.221 28.553 28.738 0.060 0.000 0.898 67 Q HN 0.589 nan 8.270 nan 0.000 0.424 68 Q N -0.716 119.103 119.800 0.031 0.000 2.119 68 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 68 Q C 1.891 177.893 176.000 0.004 0.000 0.972 68 Q CA 1.357 57.165 55.803 0.008 0.000 0.847 68 Q CB -0.112 28.620 28.738 -0.011 0.000 0.903 68 Q HN 0.394 nan 8.270 nan 0.000 0.433 69 A N -0.399 122.420 122.820 -0.002 0.000 2.014 69 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 69 A C 1.665 179.265 177.584 0.027 0.000 1.163 69 A CA 1.445 53.476 52.037 -0.011 0.000 0.652 69 A CB -0.172 18.790 19.000 -0.063 0.000 0.808 69 A HN 0.494 nan 8.150 nan 0.000 0.449 70 G N -2.249 106.586 108.800 0.058 0.000 2.485 70 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.181 70 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.181 70 G C 0.635 175.585 174.900 0.084 0.000 0.999 70 G CA 0.814 45.949 45.100 0.059 0.000 0.721 70 G HN 1.485 nan 8.290 nan 0.000 0.486 71 S N -0.215 115.567 115.700 0.136 0.000 4.383 71 S HA 0.891 5.361 4.470 -0.000 0.000 0.216 71 S C 0.068 174.749 174.600 0.134 0.000 1.122 71 S CA 0.506 58.785 58.200 0.132 0.000 1.745 71 S CB 1.303 64.596 63.200 0.156 0.000 1.094 71 S HN 1.451 nan 8.310 nan 0.000 0.754 72 R N -0.795 119.760 120.500 0.092 0.000 2.741 72 R HA 0.713 5.053 4.340 -0.000 0.000 0.274 72 R C -2.326 173.826 176.300 -0.247 0.000 1.029 72 R CA -0.980 55.130 56.100 0.017 0.000 0.880 72 R CB 0.630 30.933 30.300 0.005 0.000 1.264 72 R HN 0.565 nan 8.270 nan 0.000 0.465 73 L N 1.838 122.953 121.223 -0.180 0.000 2.294 73 L HA 0.467 4.807 4.340 -0.000 0.000 0.283 73 L C -1.211 175.610 176.870 -0.081 0.000 1.015 73 L CA -0.596 54.095 54.840 -0.249 0.000 0.831 73 L CB 1.376 43.380 42.059 -0.091 0.000 1.217 73 L HN 0.580 nan 8.230 nan 0.000 0.420 74 L N 5.853 127.039 121.223 -0.062 0.000 2.371 74 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 74 L C -0.522 176.375 176.870 0.045 0.000 1.124 74 L CA -0.353 54.482 54.840 -0.008 0.000 0.816 74 L CB 0.877 42.926 42.059 -0.016 0.000 1.129 74 L HN 0.538 nan 8.230 nan 0.000 0.448 75 L N 4.399 125.652 121.223 0.050 0.000 2.341 75 L HA 0.568 4.908 4.340 -0.000 0.000 0.278 75 L C -0.781 176.122 176.870 0.055 0.000 1.005 75 L CA -0.553 54.342 54.840 0.093 0.000 0.818 75 L CB 1.802 43.914 42.059 0.088 0.000 1.259 75 L HN 0.379 nan 8.230 nan 0.000 0.418 76 L N 2.851 124.107 121.223 0.054 0.000 2.354 76 L HA 0.548 4.888 4.340 -0.000 0.000 0.264 76 L C -0.554 176.325 176.870 0.016 0.000 1.008 76 L CA -0.191 54.650 54.840 0.001 0.000 0.819 76 L CB 2.134 44.152 42.059 -0.068 0.000 1.339 76 L HN 0.510 nan 8.230 nan 0.000 0.420 77 Q N 0.702 120.505 119.800 0.004 0.000 2.290 77 Q HA 0.678 5.018 4.340 -0.000 0.000 0.269 77 Q C -0.581 175.416 176.000 -0.006 0.000 1.016 77 Q CA -0.109 55.704 55.803 0.017 0.000 0.754 77 Q CB 1.904 30.663 28.738 0.035 0.000 1.247 77 Q HN 0.875 nan 8.270 nan 0.000 0.451 78 G N 2.595 111.389 108.800 -0.010 0.000 2.339 78 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.275 78 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.275 78 G C -1.775 173.115 174.900 -0.017 0.000 1.323 78 G CA -0.837 44.252 45.100 -0.019 0.000 0.927 78 G HN 0.592 nan 8.290 nan 0.000 0.486 79 D N 0.652 121.041 120.400 -0.018 0.000 2.343 79 D HA 0.545 5.185 4.640 -0.000 0.000 0.255 79 D C -0.929 175.365 176.300 -0.011 0.000 1.187 79 D CA -1.530 52.480 54.000 0.016 0.000 0.875 79 D CB 1.776 42.597 40.800 0.035 0.000 1.136 79 D HN -0.001 nan 8.370 nan 0.000 0.469 80 P HA -0.192 nan 4.420 nan 0.000 0.215 80 P C 0.944 178.102 177.300 -0.236 0.000 1.157 80 P CA 1.387 64.362 63.100 -0.210 0.000 0.868 80 P CB -0.065 31.555 31.700 -0.133 0.000 0.788 81 Q N -2.011 117.715 119.800 -0.122 0.000 2.500 81 Q HA -0.157 4.183 4.340 -0.000 0.000 0.213 81 Q C 1.054 176.924 176.000 -0.216 0.000 0.974 81 Q CA 1.368 57.072 55.803 -0.165 0.000 0.918 81 Q CB -0.614 28.044 28.738 -0.134 0.000 0.980 81 Q HN 0.386 nan 8.270 nan 0.000 0.505 82 H N 0.023 119.019 119.070 -0.123 0.000 2.367 82 H HA 0.230 4.786 4.556 -0.000 0.000 0.304 82 H C 1.780 177.035 175.328 -0.122 0.000 1.023 82 H CA 0.636 56.626 56.048 -0.098 0.000 1.342 82 H CB 0.267 29.988 29.762 -0.070 0.000 1.486 82 H HN 0.025 nan 8.280 nan 0.000 0.596 83 L N 0.251 121.467 121.223 -0.012 0.000 2.093 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 83 L C 1.907 178.672 176.870 -0.175 0.000 1.085 83 L CA 1.158 55.944 54.840 -0.091 0.000 0.755 83 L CB -0.350 41.643 42.059 -0.110 0.000 0.904 83 L HN 0.301 nan 8.230 nan 0.000 0.435 84 I N -0.129 120.267 120.570 -0.290 0.000 2.202 84 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 84 I C -0.279 175.709 176.117 -0.215 0.000 1.091 84 I CA 1.201 62.281 61.300 -0.366 0.000 1.368 84 I CB -1.319 36.267 38.000 -0.690 0.000 1.058 84 I HN 0.175 nan 8.210 nan 0.000 0.410 85 P HA -0.149 nan 4.420 nan 0.000 0.217 85 P C 1.548 178.803 177.300 -0.075 0.000 1.150 85 P CA 1.324 64.362 63.100 -0.102 0.000 0.832 85 P CB 0.009 31.646 31.700 -0.105 0.000 0.787 86 Q N -0.987 118.769 119.800 -0.075 0.000 2.084 86 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 86 Q C 2.095 178.066 176.000 -0.048 0.000 0.978 86 Q CA 1.160 56.934 55.803 -0.048 0.000 0.844 86 Q CB -0.815 27.904 28.738 -0.033 0.000 0.898 86 Q HN 0.162 nan 8.270 nan 0.000 0.426 87 L N 0.460 121.642 121.223 -0.068 0.000 2.017 87 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 87 L C 2.164 179.009 176.870 -0.042 0.000 1.073 87 L CA 2.074 56.878 54.840 -0.060 0.000 0.745 87 L CB -0.691 41.314 42.059 -0.090 0.000 0.894 87 L HN 0.124 nan 8.230 nan 0.000 0.432 88 A N -1.083 121.709 122.820 -0.046 0.000 1.902 88 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 88 A C 2.326 179.905 177.584 -0.008 0.000 1.181 88 A CA 1.941 53.969 52.037 -0.016 0.000 0.623 88 A CB -0.730 18.267 19.000 -0.006 0.000 0.818 88 A HN 0.673 nan 8.150 nan 0.000 0.443 89 Q N -1.279 118.511 119.800 -0.016 0.000 2.016 89 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 89 Q C 2.172 178.168 176.000 -0.008 0.000 0.978 89 Q CA 1.458 57.255 55.803 -0.011 0.000 0.833 89 Q CB -0.149 28.579 28.738 -0.016 0.000 0.895 89 Q HN 0.563 nan 8.270 nan 0.000 0.427 90 Q N -0.141 119.652 119.800 -0.012 0.000 2.297 90 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 90 Q C 1.427 177.425 176.000 -0.003 0.000 0.981 90 Q CA 0.836 56.634 55.803 -0.008 0.000 0.876 90 Q CB 0.080 28.811 28.738 -0.012 0.000 0.921 90 Q HN 0.271 nan 8.270 nan 0.000 0.446 91 L N 0.123 121.345 121.223 -0.002 0.000 2.640 91 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 91 L C 0.514 177.391 176.870 0.011 0.000 1.123 91 L CA 0.449 55.292 54.840 0.005 0.000 0.900 91 L CB -0.191 41.872 42.059 0.007 0.000 1.146 91 L HN 0.246 nan 8.230 nan 0.000 0.484 92 Q N 0.372 120.178 119.800 0.009 0.000 2.443 92 Q HA -0.229 4.111 4.340 -0.000 0.000 0.337 92 Q C -0.069 175.944 176.000 0.022 0.000 1.401 92 Q CA 0.402 56.212 55.803 0.013 0.000 0.943 92 Q CB -0.818 27.927 28.738 0.012 0.000 1.177 92 Q HN 0.497 nan 8.270 nan 0.000 0.394 93 A N 1.237 124.073 122.820 0.026 0.000 2.450 93 A HA 0.097 4.417 4.320 -0.000 0.000 0.255 93 A C 0.804 178.418 177.584 0.050 0.000 1.096 93 A CA 0.411 52.474 52.037 0.043 0.000 0.778 93 A CB 0.578 19.609 19.000 0.052 0.000 1.031 93 A HN 0.727 nan 8.150 nan 0.000 0.494 94 E N 1.700 121.937 120.200 0.061 0.000 2.268 94 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 94 E C 0.429 177.081 176.600 0.088 0.000 0.995 94 E CA 1.114 57.553 56.400 0.065 0.000 0.836 94 E CB 0.009 29.749 29.700 0.067 0.000 0.763 94 E HN 0.992 nan 8.360 nan 0.000 0.491 95 A N -0.853 122.039 122.820 0.120 0.000 2.550 95 A HA 0.430 4.750 4.320 -0.000 0.000 0.295 95 A C -1.640 176.073 177.584 0.215 0.000 1.001 95 A CA -0.643 51.484 52.037 0.150 0.000 0.660 95 A CB 1.392 20.527 19.000 0.226 0.000 1.308 95 A HN -0.014 nan 8.150 nan 0.000 0.426 96 V N 1.574 121.599 119.914 0.184 0.000 2.444 96 V HA 0.568 4.688 4.120 -0.000 0.000 0.294 96 V C -1.206 175.024 176.094 0.227 0.000 1.022 96 V CA -0.403 62.060 62.300 0.272 0.000 0.850 96 V CB 1.069 33.074 31.823 0.303 0.000 0.992 96 V HN 0.752 nan 8.190 nan 0.000 0.426 97 Y N 3.885 124.253 120.300 0.113 0.000 2.457 97 Y HA 0.812 5.362 4.550 -0.000 0.000 0.333 97 Y C -0.109 175.731 175.900 -0.099 0.000 1.119 97 Y CA -0.730 57.370 58.100 0.000 0.000 1.143 97 Y CB 1.981 40.581 38.460 0.233 0.000 1.230 97 Y HN 0.830 nan 8.280 nan 0.000 0.469 98 W N 0.916 122.117 121.300 -0.166 0.000 3.161 98 W HA 0.478 5.139 4.660 0.000 0.000 0.314 98 W C -2.290 174.101 176.519 -0.213 0.000 1.245 98 W CA -1.104 55.962 57.345 -0.465 0.000 1.191 98 W CB 0.487 29.669 29.460 -0.464 0.000 1.392 98 W HN 0.243 nan 8.180 nan 0.000 0.568 99 N N 2.628 121.404 118.700 0.125 0.000 2.455 99 N HA 0.184 4.924 4.740 -0.000 0.000 0.280 99 N C -0.301 175.189 175.510 -0.034 0.000 1.055 99 N CA -0.604 52.476 53.050 0.049 0.000 0.961 99 N CB 1.378 39.949 38.487 0.141 0.000 1.121 99 N HN 0.549 nan 8.380 nan 0.000 0.476 100 Q N 0.502 120.105 119.800 -0.329 0.000 2.386 100 Q HA -0.007 4.333 4.340 -0.000 0.000 0.282 100 Q C -0.342 175.448 176.000 -0.351 0.000 1.050 100 Q CA 0.511 55.990 55.803 -0.540 0.000 0.918 100 Q CB 0.760 28.613 28.738 -1.474 0.000 1.266 100 Q HN 0.464 nan 8.270 nan 0.000 0.423 101 D N 0.745 121.031 120.400 -0.191 0.000 2.326 101 D HA 0.266 4.906 4.640 -0.000 0.000 0.251 101 D C 0.308 176.718 176.300 0.184 0.000 1.023 101 D CA -0.423 53.575 54.000 -0.003 0.000 0.966 101 D CB 1.115 41.889 40.800 -0.042 0.000 1.156 101 D HN 0.571 nan 8.370 nan 0.000 0.494 102 I N -2.171 118.552 120.570 0.255 0.000 4.288 102 I HA 0.357 4.527 4.170 -0.000 0.000 0.331 102 I C 0.187 176.434 176.117 0.217 0.000 1.322 102 I CA -0.366 61.156 61.300 0.370 0.000 1.149 102 I CB 0.286 38.473 38.000 0.311 0.000 1.112 102 I HN 0.038 nan 8.210 nan 0.000 0.403 103 E N 2.742 123.025 120.200 0.138 0.000 2.313 103 E HA 0.204 4.554 4.350 -0.000 0.000 0.272 103 E C -1.786 174.862 176.600 0.081 0.000 1.038 103 E CA -1.721 54.740 56.400 0.102 0.000 0.863 103 E CB 0.974 30.734 29.700 0.100 0.000 1.060 103 E HN -0.025 nan 8.360 nan 0.000 0.402 104 P HA -0.243 nan 4.420 nan 0.000 0.215 104 P C 0.990 178.331 177.300 0.068 0.000 1.163 104 P CA 1.297 64.434 63.100 0.061 0.000 0.894 104 P CB 0.002 31.749 31.700 0.078 0.000 0.791 105 Y N 0.422 120.727 120.300 0.007 0.000 2.114 105 Y HA -0.128 4.422 4.550 -0.000 0.000 0.284 105 Y C 2.484 178.376 175.900 -0.013 0.000 1.143 105 Y CA 2.190 60.291 58.100 0.001 0.000 1.135 105 Y CB -1.185 37.278 38.460 0.004 0.000 0.980 105 Y HN -0.136 nan 8.280 nan 0.000 0.499 106 G N 0.115 108.877 108.800 -0.063 0.000 2.442 106 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 106 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 106 G C 1.765 176.540 174.900 -0.209 0.000 1.141 106 G CA 0.880 45.869 45.100 -0.185 0.000 0.763 106 G HN 0.378 nan 8.290 nan 0.000 0.554 107 R N 0.159 120.596 120.500 -0.106 0.000 2.090 107 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 107 R C 2.093 178.339 176.300 -0.091 0.000 1.110 107 R CA 1.236 57.296 56.100 -0.065 0.000 0.973 107 R CB -0.192 30.101 30.300 -0.012 0.000 0.869 107 R HN 0.243 nan 8.270 nan 0.000 0.440 108 D N 0.299 120.619 120.400 -0.132 0.000 2.117 108 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 108 D C 1.866 178.064 176.300 -0.170 0.000 0.982 108 D CA 0.909 54.835 54.000 -0.123 0.000 0.828 108 D CB -0.224 40.512 40.800 -0.106 0.000 0.967 108 D HN 0.151 nan 8.370 nan 0.000 0.464 109 R N 0.967 121.273 120.500 -0.322 0.000 2.083 109 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 109 R C 1.272 177.472 176.300 -0.166 0.000 1.137 109 R CA 1.637 57.552 56.100 -0.310 0.000 0.951 109 R CB -0.085 29.903 30.300 -0.519 0.000 0.851 109 R HN 0.002 nan 8.270 nan 0.000 0.434 110 D N -0.318 119.984 120.400 -0.163 0.000 2.104 110 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 110 D C 1.792 178.159 176.300 0.112 0.000 0.994 110 D CA 1.667 55.639 54.000 -0.048 0.000 0.830 110 D CB -0.694 40.120 40.800 0.023 0.000 0.959 110 D HN 0.532 nan 8.370 nan 0.000 0.452 111 G N 0.551 109.381 108.800 0.050 0.000 2.442 111 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 111 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 111 G C 1.548 176.471 174.900 0.038 0.000 1.141 111 G CA 0.523 45.656 45.100 0.056 0.000 0.763 111 G HN 0.196 nan 8.290 nan 0.000 0.554 112 Q N 0.033 119.830 119.800 -0.006 0.000 2.123 112 Q HA -0.001 4.339 4.340 -0.000 0.000 0.199 112 Q C 2.960 178.944 176.000 -0.026 0.000 0.966 112 Q CA 0.849 56.635 55.803 -0.029 0.000 0.845 112 Q CB -0.478 28.225 28.738 -0.059 0.000 0.907 112 Q HN 0.433 nan 8.270 nan 0.000 0.439 113 V N 1.239 121.144 119.914 -0.014 0.000 2.358 113 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 113 V C 2.407 178.574 176.094 0.123 0.000 1.047 113 V CA 1.667 63.955 62.300 -0.020 0.000 1.035 113 V CB -1.017 30.729 31.823 -0.128 0.000 0.658 113 V HN 0.298 nan 8.190 nan 0.000 0.452 114 A N 0.141 123.118 122.820 0.261 0.000 1.877 114 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 114 A C 2.434 180.070 177.584 0.086 0.000 1.186 114 A CA 2.192 54.375 52.037 0.243 0.000 0.620 114 A CB -0.836 18.290 19.000 0.210 0.000 0.822 114 A HN 0.567 nan 8.150 nan 0.000 0.443 115 A N -0.207 122.642 122.820 0.048 0.000 1.902 115 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 115 A C 2.498 180.077 177.584 -0.008 0.000 1.181 115 A CA 2.133 54.176 52.037 0.009 0.000 0.623 115 A CB -1.002 17.996 19.000 -0.003 0.000 0.818 115 A HN 1.094 nan 8.150 nan 0.000 0.443 116 A N -0.433 122.374 122.820 -0.021 0.000 1.933 116 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 116 A C 2.155 179.722 177.584 -0.028 0.000 1.175 116 A CA 1.426 53.433 52.037 -0.050 0.000 0.628 116 A CB -0.519 18.423 19.000 -0.098 0.000 0.814 116 A HN 0.475 nan 8.150 nan 0.000 0.444 117 L N -0.861 120.365 121.223 0.005 0.000 2.109 117 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 117 L C 2.613 179.485 176.870 0.003 0.000 1.086 117 L CA 1.756 56.605 54.840 0.016 0.000 0.760 117 L CB -0.369 41.729 42.059 0.065 0.000 0.910 117 L HN 0.455 nan 8.230 nan 0.000 0.437 118 K N -0.209 120.192 120.400 0.001 0.000 2.057 118 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 118 K C 2.007 178.600 176.600 -0.012 0.000 1.049 118 K CA 1.835 58.117 56.287 -0.009 0.000 0.931 118 K CB -0.035 32.458 32.500 -0.011 0.000 0.714 118 K HN 0.168 nan 8.250 nan 0.000 0.440 119 T N 0.605 115.151 114.554 -0.015 0.000 2.720 119 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 119 T C 1.687 176.377 174.700 -0.016 0.000 1.037 119 T CA 1.471 63.560 62.100 -0.018 0.000 1.144 119 T CB -0.249 68.604 68.868 -0.025 0.000 0.864 119 T HN 0.408 nan 8.240 nan 0.000 0.444 120 A N 0.274 123.083 122.820 -0.017 0.000 2.235 120 A HA 0.476 4.796 4.320 -0.000 0.000 0.208 120 A C 1.830 179.409 177.584 -0.008 0.000 1.172 120 A CA 0.839 52.867 52.037 -0.014 0.000 0.786 120 A CB -0.875 18.114 19.000 -0.017 0.000 0.804 120 A HN 0.789 nan 8.150 nan 0.000 0.479 121 G N -0.885 107.910 108.800 -0.008 0.000 2.176 121 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 121 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 121 G C -0.044 174.855 174.900 -0.002 0.000 1.024 121 G CA 0.449 45.545 45.100 -0.006 0.000 0.755 121 G HN 0.509 nan 8.290 nan 0.000 0.507 122 I N -0.024 120.545 120.570 -0.001 0.000 2.433 122 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 122 I C 0.901 177.015 176.117 -0.005 0.000 1.001 122 I CA -1.141 60.162 61.300 0.006 0.000 1.119 122 I CB 1.456 39.465 38.000 0.016 0.000 1.289 122 I HN 0.007 nan 8.210 nan 0.000 0.438 123 R N 4.043 124.536 120.500 -0.013 0.000 2.537 123 R HA 0.500 4.840 4.340 -0.000 0.000 0.280 123 R C -0.322 175.915 176.300 -0.104 0.000 1.058 123 R CA -0.171 55.895 56.100 -0.057 0.000 1.057 123 R CB 0.623 30.893 30.300 -0.050 0.000 0.973 123 R HN 0.707 nan 8.270 nan 0.000 0.438 124 A N 3.086 125.787 122.820 -0.198 0.000 2.311 124 A HA 0.461 4.781 4.320 -0.000 0.000 0.306 124 A C -0.821 176.404 177.584 -0.599 0.000 1.189 124 A CA -0.684 51.132 52.037 -0.368 0.000 0.791 124 A CB 1.289 20.136 19.000 -0.256 0.000 1.172 124 A HN 0.452 nan 8.150 nan 0.000 0.481 125 V N 3.646 123.033 119.914 -0.878 0.000 2.334 125 V HA 0.342 4.462 4.120 -0.000 0.000 0.281 125 V C -0.305 175.191 176.094 -0.997 0.000 1.016 125 V CA -0.292 61.446 62.300 -0.936 0.000 0.832 125 V CB 1.109 32.082 31.823 -1.416 0.000 0.999 125 V HN 0.930 nan 8.190 nan 0.000 0.439 126 Q N 5.643 124.945 119.800 -0.830 0.000 2.368 126 Q HA 0.669 5.009 4.340 -0.000 0.000 0.263 126 Q C -1.118 174.582 176.000 -0.500 0.000 1.009 126 Q CA -0.301 55.005 55.803 -0.829 0.000 0.818 126 Q CB 2.227 30.513 28.738 -0.754 0.000 1.239 126 Q HN 0.633 nan 8.270 nan 0.000 0.464 127 L N 0.807 121.811 121.223 -0.366 0.000 2.319 127 L HA 0.560 4.900 4.340 -0.000 0.000 0.267 127 L C -0.692 176.032 176.870 -0.244 0.000 1.011 127 L CA -1.077 53.633 54.840 -0.217 0.000 0.818 127 L CB 1.400 43.444 42.059 -0.025 0.000 1.316 127 L HN 0.544 nan 8.230 nan 0.000 0.432 128 W N 0.754 122.050 121.300 -0.006 0.000 2.322 128 W HA 0.228 4.888 4.660 -0.000 0.000 0.307 128 W C 0.528 177.063 176.519 0.027 0.000 1.220 128 W CA 0.120 57.464 57.345 -0.002 0.000 1.210 128 W CB 1.268 30.705 29.460 -0.038 0.000 1.223 128 W HN 0.613 nan 8.180 nan 0.000 0.511 129 D N 0.157 120.745 120.400 0.314 0.000 2.331 129 D HA -0.149 4.491 4.640 -0.000 0.000 0.300 129 D C 1.784 178.211 176.300 0.211 0.000 1.090 129 D CA 0.202 54.334 54.000 0.220 0.000 0.905 129 D CB 0.236 41.147 40.800 0.184 0.000 1.600 129 D HN 0.510 nan 8.370 nan 0.000 0.511 130 Q N 0.493 120.441 119.800 0.246 0.000 2.482 130 Q HA 0.114 4.454 4.340 -0.000 0.000 0.209 130 Q C -0.185 175.930 176.000 0.192 0.000 0.961 130 Q CA 0.445 56.371 55.803 0.204 0.000 0.945 130 Q CB 0.244 29.098 28.738 0.193 0.000 1.012 130 Q HN 0.292 nan 8.270 nan 0.000 0.515 131 L N 0.770 122.109 121.223 0.194 0.000 2.362 131 L HA 0.306 4.646 4.340 -0.000 0.000 0.271 131 L C 0.676 177.571 176.870 0.042 0.000 1.002 131 L CA -0.740 54.192 54.840 0.154 0.000 0.818 131 L CB 1.867 44.016 42.059 0.150 0.000 1.298 131 L HN 0.072 nan 8.230 nan 0.000 0.420 132 L N 1.601 122.801 121.223 -0.038 0.000 2.141 132 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 132 L C 0.136 176.592 176.870 -0.690 0.000 1.094 132 L CA 0.979 55.571 54.840 -0.415 0.000 0.763 132 L CB -0.255 41.405 42.059 -0.666 0.000 0.908 132 L HN 0.539 nan 8.230 nan 0.000 0.437 133 H N -1.212 117.829 119.070 -0.049 0.000 2.782 133 H HA 0.271 4.827 4.556 -0.000 0.000 0.347 133 H C -0.269 175.020 175.328 -0.065 0.000 1.038 133 H CA -0.997 54.987 56.048 -0.106 0.000 1.255 133 H CB 1.544 31.187 29.762 -0.198 0.000 1.623 133 H HN -0.027 nan 8.280 nan 0.000 0.525 134 S N 2.681 118.221 115.700 -0.267 0.000 2.584 134 S HA 0.104 4.574 4.470 -0.000 0.000 0.270 134 S C -1.714 172.349 174.600 -0.895 0.000 1.346 134 S CA -0.950 56.702 58.200 -0.912 0.000 1.018 134 S CB 1.484 63.900 63.200 -1.307 0.000 0.899 134 S HN 0.293 nan 8.310 nan 0.000 0.542 135 P HA -0.083 nan 4.420 nan 0.000 0.219 135 P C 0.522 177.604 177.300 -0.364 0.000 1.146 135 P CA 1.155 63.513 63.100 -1.236 0.000 0.808 135 P CB -0.027 30.677 31.700 -1.661 0.000 0.779 136 D N -1.410 118.759 120.400 -0.386 0.000 2.347 136 D HA -0.093 4.547 4.640 -0.000 0.000 0.215 136 D C 1.843 178.100 176.300 -0.072 0.000 0.976 136 D CA 0.655 54.596 54.000 -0.100 0.000 0.884 136 D CB -0.166 40.596 40.800 -0.064 0.000 0.915 136 D HN 0.328 nan 8.370 nan 0.000 0.526 137 Q N -0.025 119.705 119.800 -0.117 0.000 2.302 137 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 137 Q C 0.088 176.059 176.000 -0.049 0.000 0.936 137 Q CA 0.411 56.163 55.803 -0.085 0.000 0.886 137 Q CB 0.580 29.253 28.738 -0.108 0.000 0.986 137 Q HN 0.069 nan 8.270 nan 0.000 0.487 138 I N 2.777 123.386 120.570 0.064 0.000 2.313 138 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 138 I C -0.536 175.722 176.117 0.234 0.000 1.091 138 I CA 0.076 61.462 61.300 0.144 0.000 1.216 138 I CB 0.209 38.360 38.000 0.252 0.000 1.434 138 I HN 0.110 nan 8.210 nan 0.000 0.487 139 L N 3.688 124.975 121.223 0.105 0.000 2.350 139 L HA 0.535 4.875 4.340 -0.000 0.000 0.260 139 L C 0.795 177.586 176.870 -0.132 0.000 1.015 139 L CA -0.672 54.132 54.840 -0.060 0.000 0.821 139 L CB 2.379 44.392 42.059 -0.076 0.000 1.370 139 L HN 0.527 nan 8.230 nan 0.000 0.416 140 S N -0.251 115.204 115.700 -0.408 0.000 2.640 140 S HA 0.196 4.666 4.470 -0.000 0.000 0.262 140 S C 1.191 175.733 174.600 -0.098 0.000 1.232 140 S CA 0.024 58.052 58.200 -0.287 0.000 0.988 140 S CB 0.862 63.820 63.200 -0.404 0.000 1.034 140 S HN 0.808 nan 8.310 nan 0.000 0.569 141 G N -0.065 108.710 108.800 -0.041 0.000 2.448 141 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.219 141 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.219 141 G C 1.081 175.960 174.900 -0.034 0.000 1.127 141 G CA 0.621 45.707 45.100 -0.023 0.000 0.766 141 G HN 0.673 nan 8.290 nan 0.000 0.552 142 S N -0.052 115.619 115.700 -0.049 0.000 2.605 142 S HA 0.366 4.836 4.470 -0.000 0.000 0.217 142 S C 1.631 176.200 174.600 -0.052 0.000 0.958 142 S CA 0.498 58.674 58.200 -0.040 0.000 0.919 142 S CB 0.127 63.309 63.200 -0.031 0.000 0.780 142 S HN 1.108 nan 8.310 nan 0.000 0.507 143 G N 2.415 111.171 108.800 -0.073 0.000 2.176 143 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 143 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 143 G C -0.311 174.528 174.900 -0.101 0.000 1.024 143 G CA -0.283 44.773 45.100 -0.074 0.000 0.755 143 G HN 0.458 nan 8.290 nan 0.000 0.507 144 N N 0.501 119.108 118.700 -0.155 0.000 2.335 144 N HA 0.586 5.326 4.740 -0.000 0.000 0.304 144 N C -2.395 172.929 175.510 -0.310 0.000 1.135 144 N CA -1.433 51.512 53.050 -0.175 0.000 0.817 144 N CB 2.435 40.866 38.487 -0.093 0.000 1.294 144 N HN 0.098 nan 8.380 nan 0.000 0.497 145 P HA 0.120 nan 4.420 nan 0.000 0.273 145 P C -0.977 176.278 177.300 -0.075 0.000 1.250 145 P CA 0.173 63.052 63.100 -0.369 0.000 0.793 145 P CB 0.499 31.709 31.700 -0.817 0.000 1.011 146 Y N -0.415 120.058 120.300 0.289 0.000 2.342 146 Y HA 0.234 4.784 4.550 -0.000 0.000 0.334 146 Y C 1.539 177.722 175.900 0.471 0.000 1.067 146 Y CA 0.156 58.500 58.100 0.407 0.000 1.128 146 Y CB 1.455 40.258 38.460 0.572 0.000 1.200 146 Y HN 0.325 nan 8.280 nan 0.000 0.464 147 S N -0.176 115.866 115.700 0.571 0.000 2.629 147 S HA 0.376 4.846 4.470 -0.000 0.000 0.236 147 S C -0.519 174.392 174.600 0.518 0.000 1.010 147 S CA -0.286 58.188 58.200 0.457 0.000 0.981 147 S CB -0.247 63.079 63.200 0.210 0.000 0.919 147 S HN 0.231 nan 8.310 nan 0.000 0.514 148 V N 2.352 122.581 119.914 0.525 0.000 2.531 148 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 148 V C 0.481 176.644 176.094 0.115 0.000 1.034 148 V CA -0.908 61.572 62.300 0.300 0.000 0.865 148 V CB 1.187 33.150 31.823 0.232 0.000 0.995 148 V HN 0.325 nan 8.190 nan 0.000 0.424 149 Y N 4.565 124.607 120.300 -0.431 0.000 2.145 149 Y HA -0.103 4.447 4.550 0.000 0.000 0.286 149 Y C 2.096 177.852 175.900 -0.241 0.000 1.145 149 Y CA 2.419 60.062 58.100 -0.761 0.000 1.148 149 Y CB -0.511 37.406 38.460 -0.906 0.000 0.981 149 Y HN 0.740 nan 8.280 nan 0.000 0.507 150 G N 0.473 109.171 108.800 -0.169 0.000 2.719 150 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 150 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 150 G C -0.448 174.354 174.900 -0.164 0.000 1.234 150 G CA 1.435 46.459 45.100 -0.127 0.000 0.788 150 G HN 0.381 nan 8.290 nan 0.000 0.619 151 P HA -0.062 nan 4.420 nan 0.000 0.218 151 P C 1.562 178.490 177.300 -0.619 0.000 1.148 151 P CA 0.721 63.714 63.100 -0.179 0.000 0.822 151 P CB -0.111 31.650 31.700 0.101 0.000 0.784 152 F N -0.789 118.641 119.950 -0.867 0.000 2.113 152 F HA -0.143 4.384 4.527 0.000 0.000 0.297 152 F C 2.280 177.765 175.800 -0.524 0.000 1.103 152 F CA 1.279 58.701 58.000 -0.963 0.000 1.248 152 F CB -0.915 37.853 39.000 -0.386 0.000 0.999 152 F HN -0.028 nan 8.300 nan 0.000 0.475 153 W N 2.225 123.178 121.300 -0.577 0.000 2.335 153 W HA -0.291 4.369 4.660 0.000 0.000 0.311 153 W C 2.291 178.621 176.519 -0.315 0.000 1.213 153 W CA 1.938 58.966 57.345 -0.528 0.000 1.274 153 W CB -0.549 28.421 29.460 -0.817 0.000 1.148 153 W HN 0.123 nan 8.180 nan 0.000 0.498 154 K N 0.589 120.684 120.400 -0.510 0.000 2.103 154 K HA -0.286 4.034 4.320 -0.000 0.000 0.207 154 K C 2.021 178.341 176.600 -0.465 0.000 1.048 154 K CA 1.837 57.816 56.287 -0.514 0.000 0.930 154 K CB -0.576 31.759 32.500 -0.275 0.000 0.716 154 K HN 0.074 nan 8.250 nan 0.000 0.444 155 N N 0.340 118.773 118.700 -0.445 0.000 2.092 155 N HA -0.189 4.551 4.740 -0.000 0.000 0.189 155 N C 1.664 176.919 175.510 -0.426 0.000 1.040 155 N CA 1.506 54.333 53.050 -0.372 0.000 0.845 155 N CB -0.661 37.634 38.487 -0.319 0.000 1.017 155 N HN 0.353 nan 8.380 nan 0.000 0.426 156 W N 2.132 122.991 121.300 -0.734 0.000 2.304 156 W HA -0.205 4.455 4.660 0.000 0.000 0.315 156 W C 2.586 178.778 176.519 -0.545 0.000 1.233 156 W CA 2.110 59.064 57.345 -0.652 0.000 1.261 156 W CB -0.423 28.663 29.460 -0.624 0.000 1.150 156 W HN 0.227 nan 8.180 nan 0.000 0.494 157 Q N 0.328 119.911 119.800 -0.361 0.000 2.135 157 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 157 Q C 2.072 177.835 176.000 -0.394 0.000 0.981 157 Q CA 2.090 57.579 55.803 -0.524 0.000 0.856 157 Q CB -0.718 27.301 28.738 -1.198 0.000 0.902 157 Q HN 0.373 nan 8.270 nan 0.000 0.425 158 A N 0.502 123.085 122.820 -0.396 0.000 2.169 158 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 158 A C 0.799 178.197 177.584 -0.310 0.000 1.153 158 A CA 0.061 51.919 52.037 -0.297 0.000 0.756 158 A CB 0.020 18.866 19.000 -0.257 0.000 0.813 158 A HN 0.271 nan 8.150 nan 0.000 0.471 159 Q N 1.270 120.800 119.800 -0.451 0.000 2.332 159 Q HA 0.211 4.551 4.340 -0.000 0.000 0.263 159 Q C -2.436 173.353 176.000 -0.351 0.000 0.979 159 Q CA -1.888 53.611 55.803 -0.507 0.000 0.885 159 Q CB 0.332 28.461 28.738 -1.016 0.000 1.218 159 Q HN 0.318 nan 8.270 nan 0.000 0.405 160 P HA 0.015 nan 4.420 nan 0.000 0.268 160 P C -0.449 176.774 177.300 -0.127 0.000 1.204 160 P CA 0.074 63.091 63.100 -0.139 0.000 0.768 160 P CB 0.696 32.336 31.700 -0.100 0.000 0.842 161 K N 4.343 124.641 120.400 -0.169 0.000 2.234 161 K HA 0.347 4.667 4.320 -0.000 0.000 0.282 161 K C -1.649 174.848 176.600 -0.172 0.000 1.039 161 K CA -1.595 54.509 56.287 -0.305 0.000 0.928 161 K CB 0.296 32.518 32.500 -0.464 0.000 1.039 161 K HN 0.469 nan 8.250 nan 0.000 0.470 162 P HA 0.117 nan 4.420 nan 0.000 0.277 162 P C -0.369 176.912 177.300 -0.031 0.000 1.240 162 P CA -0.277 62.764 63.100 -0.098 0.000 0.798 162 P CB 0.668 32.299 31.700 -0.115 0.000 0.979 163 T N -1.508 113.053 114.554 0.012 0.000 2.952 163 T HA 0.529 4.879 4.350 -0.000 0.000 0.286 163 T C -2.635 172.094 174.700 0.048 0.000 1.024 163 T CA -2.424 59.708 62.100 0.053 0.000 1.029 163 T CB 0.365 69.264 68.868 0.052 0.000 1.094 163 T HN 0.158 nan 8.240 nan 0.000 0.515 164 P HA 0.249 nan 4.420 nan 0.000 0.266 164 P C -0.063 177.258 177.300 0.034 0.000 1.195 164 P CA -0.526 62.607 63.100 0.055 0.000 0.768 164 P CB 0.314 32.051 31.700 0.062 0.000 0.838 165 V N -0.013 119.916 119.914 0.025 0.000 3.234 165 V HA 0.804 4.924 4.120 -0.000 0.000 0.317 165 V C 0.207 176.300 176.094 -0.001 0.000 1.081 165 V CA -1.279 61.027 62.300 0.010 0.000 1.037 165 V CB 0.682 32.508 31.823 0.005 0.000 1.148 165 V HN 0.597 nan 8.190 nan 0.000 0.453 166 A N 0.777 123.590 122.820 -0.011 0.000 2.386 166 A HA 0.548 4.868 4.320 -0.000 0.000 0.248 166 A C 0.542 178.102 177.584 -0.039 0.000 1.082 166 A CA -0.039 51.986 52.037 -0.021 0.000 0.789 166 A CB -0.299 18.689 19.000 -0.021 0.000 1.025 166 A HN 1.006 nan 8.150 nan 0.000 0.490 167 T N 4.406 118.935 114.554 -0.041 0.000 2.780 167 T HA 0.465 4.815 4.350 -0.000 0.000 0.294 167 T C -2.218 172.440 174.700 -0.070 0.000 0.949 167 T CA -0.511 61.552 62.100 -0.062 0.000 1.074 167 T CB 0.644 69.479 68.868 -0.055 0.000 0.910 167 T HN 0.601 nan 8.240 nan 0.000 0.501 168 P HA 0.240 nan 4.420 nan 0.000 0.271 168 P C -0.425 176.833 177.300 -0.070 0.000 1.216 168 P CA -0.298 62.753 63.100 -0.082 0.000 0.771 168 P CB 0.634 32.273 31.700 -0.101 0.000 0.864 169 T N -2.315 112.213 114.554 -0.044 0.000 2.865 169 T HA 0.358 4.708 4.350 -0.000 0.000 0.294 169 T C -0.371 174.321 174.700 -0.014 0.000 1.119 169 T CA -0.932 61.149 62.100 -0.031 0.000 1.007 169 T CB 0.996 69.848 68.868 -0.026 0.000 1.225 169 T HN 0.457 nan 8.240 nan 0.000 0.515 170 E N 0.633 120.829 120.200 -0.006 0.000 2.252 170 E HA -0.149 4.201 4.350 -0.000 0.000 0.218 170 E C -0.389 176.220 176.600 0.014 0.000 1.253 170 E CA 0.043 56.446 56.400 0.005 0.000 0.705 170 E CB -1.748 27.953 29.700 0.001 0.000 1.172 170 E HN 0.517 nan 8.360 nan 0.000 0.369 171 L N 0.020 121.259 121.223 0.027 0.000 2.439 171 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 171 L C 0.747 177.645 176.870 0.047 0.000 1.153 171 L CA -0.813 54.055 54.840 0.047 0.000 0.808 171 L CB 0.753 42.864 42.059 0.088 0.000 1.126 171 L HN -0.070 nan 8.230 nan 0.000 0.460 172 V N 0.900 120.843 119.914 0.048 0.000 2.370 172 V HA 0.160 4.280 4.120 -0.000 0.000 0.283 172 V C -0.040 176.083 176.094 0.048 0.000 1.023 172 V CA -0.540 61.784 62.300 0.041 0.000 0.857 172 V CB 1.416 33.258 31.823 0.031 0.000 0.985 172 V HN 0.663 nan 8.190 nan 0.000 0.443 173 D N 3.191 123.618 120.400 0.045 0.000 2.377 173 D HA 0.324 4.964 4.640 -0.000 0.000 0.245 173 D C 0.109 176.428 176.300 0.032 0.000 1.196 173 D CA -0.080 53.946 54.000 0.043 0.000 0.962 173 D CB 0.877 41.701 40.800 0.040 0.000 1.127 173 D HN 0.350 nan 8.370 nan 0.000 0.471 174 L N 0.764 122.003 121.223 0.027 0.000 2.453 174 L HA 0.203 4.543 4.340 -0.000 0.000 0.261 174 L C 0.950 177.830 176.870 0.017 0.000 1.179 174 L CA -0.422 54.431 54.840 0.020 0.000 0.813 174 L CB 0.816 42.884 42.059 0.015 0.000 1.110 174 L HN 0.438 nan 8.230 nan 0.000 0.466 175 S N 0.445 116.154 115.700 0.015 0.000 2.713 175 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 175 S C -2.074 172.533 174.600 0.010 0.000 1.161 175 S CA -1.292 56.915 58.200 0.013 0.000 0.999 175 S CB 1.556 64.763 63.200 0.012 0.000 1.039 175 S HN 0.348 nan 8.310 nan 0.000 0.548 176 P HA -0.079 nan 4.420 nan 0.000 0.215 176 P C 1.132 178.436 177.300 0.006 0.000 1.153 176 P CA 1.293 64.398 63.100 0.007 0.000 0.853 176 P CB 0.001 31.705 31.700 0.007 0.000 0.788 177 E N -0.545 119.659 120.200 0.006 0.000 2.153 177 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 177 E C 2.124 178.727 176.600 0.005 0.000 0.988 177 E CA 0.960 57.363 56.400 0.005 0.000 0.811 177 E CB -0.314 29.390 29.700 0.006 0.000 0.746 177 E HN 0.445 nan 8.360 nan 0.000 0.466 178 Q N 0.324 120.127 119.800 0.007 0.000 2.083 178 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 178 Q C 2.338 178.340 176.000 0.004 0.000 0.969 178 Q CA 0.766 56.573 55.803 0.006 0.000 0.838 178 Q CB 0.018 28.762 28.738 0.009 0.000 0.900 178 Q HN 0.286 nan 8.270 nan 0.000 0.436 179 L N 0.073 121.299 121.223 0.005 0.000 2.131 179 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 179 L C 2.297 179.168 176.870 0.001 0.000 1.092 179 L CA 1.083 55.925 54.840 0.003 0.000 0.759 179 L CB -0.522 41.540 42.059 0.005 0.000 0.903 179 L HN 0.250 nan 8.230 nan 0.000 0.435 180 T N -0.226 114.329 114.554 0.002 0.000 2.821 180 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 180 T C 2.013 176.713 174.700 -0.000 0.000 1.046 180 T CA 1.176 63.277 62.100 0.001 0.000 1.139 180 T CB -0.148 68.722 68.868 0.002 0.000 0.871 180 T HN 0.442 nan 8.240 nan 0.000 0.454 181 A N 1.627 124.446 122.820 -0.000 0.000 2.019 181 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 181 A C 2.172 179.753 177.584 -0.005 0.000 1.164 181 A CA 1.299 53.335 52.037 -0.002 0.000 0.644 181 A CB -0.688 18.311 19.000 -0.001 0.000 0.805 181 A HN 0.749 nan 8.150 nan 0.000 0.449 182 I N -4.900 115.667 120.570 -0.006 0.000 4.057 182 I HA 0.427 4.597 4.170 -0.000 0.000 0.334 182 I C 1.966 178.077 176.117 -0.010 0.000 1.308 182 I CA 0.646 61.940 61.300 -0.010 0.000 1.125 182 I CB -0.205 37.788 38.000 -0.013 0.000 1.034 182 I HN 0.104 nan 8.210 nan 0.000 0.401 183 A N 3.015 125.832 122.820 -0.006 0.000 1.909 183 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 183 A C 0.260 177.841 177.584 -0.005 0.000 1.223 183 A CA 2.567 54.602 52.037 -0.004 0.000 0.658 183 A CB -2.251 16.748 19.000 -0.002 0.000 0.831 183 A HN 0.453 nan 8.150 nan 0.000 0.462 184 P HA -0.073 nan 4.420 nan 0.000 0.220 184 P C 1.066 178.359 177.300 -0.011 0.000 1.148 184 P CA 0.831 63.926 63.100 -0.008 0.000 0.803 184 P CB -0.088 31.607 31.700 -0.008 0.000 0.782 185 L N -2.491 118.723 121.223 -0.015 0.000 2.509 185 L HA 0.104 4.444 4.340 -0.000 0.000 0.222 185 L C 0.949 177.807 176.870 -0.020 0.000 1.123 185 L CA 0.026 54.853 54.840 -0.023 0.000 0.856 185 L CB -0.305 41.734 42.059 -0.033 0.000 0.985 185 L HN -0.057 nan 8.230 nan 0.000 0.456 186 L N 0.266 121.482 121.223 -0.011 0.000 2.360 186 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 186 L C -0.278 176.595 176.870 0.005 0.000 1.057 186 L CA -0.630 54.208 54.840 -0.004 0.000 0.803 186 L CB 1.611 43.669 42.059 -0.002 0.000 1.207 186 L HN -0.054 nan 8.230 nan 0.000 0.445 187 L N 0.899 122.131 121.223 0.014 0.000 2.312 187 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 187 L C 1.351 178.231 176.870 0.017 0.000 1.070 187 L CA -0.199 54.653 54.840 0.020 0.000 0.805 187 L CB 1.923 44.003 42.059 0.034 0.000 1.174 187 L HN 0.854 nan 8.230 nan 0.000 0.434 188 S N 1.344 117.053 115.700 0.015 0.000 2.402 188 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 188 S C 0.362 174.971 174.600 0.014 0.000 1.021 188 S CA 0.554 58.761 58.200 0.013 0.000 0.974 188 S CB -0.244 62.963 63.200 0.011 0.000 0.800 188 S HN 0.785 nan 8.310 nan 0.000 0.484 189 E N -0.389 119.822 120.200 0.017 0.000 2.445 189 E HA 0.550 4.900 4.350 -0.000 0.000 0.279 189 E C -1.455 175.158 176.600 0.021 0.000 1.018 189 E CA -1.237 55.173 56.400 0.016 0.000 0.816 189 E CB 0.668 30.375 29.700 0.013 0.000 1.356 189 E HN 0.083 nan 8.360 nan 0.000 0.462 190 L N 1.968 123.199 121.223 0.013 0.000 2.418 190 L HA 0.331 4.671 4.340 -0.000 0.000 0.274 190 L C -2.423 174.457 176.870 0.016 0.000 1.135 190 L CA -1.105 53.741 54.840 0.011 0.000 0.870 190 L CB 0.003 42.052 42.059 -0.018 0.000 1.154 190 L HN 0.410 nan 8.230 nan 0.000 0.462 191 P HA 0.178 nan 4.420 nan 0.000 0.268 191 P C -0.703 176.620 177.300 0.038 0.000 1.205 191 P CA -0.278 62.847 63.100 0.042 0.000 0.771 191 P CB 0.396 32.134 31.700 0.063 0.000 0.858 192 T N 0.006 114.587 114.554 0.045 0.000 2.816 192 T HA 0.113 4.463 4.350 -0.000 0.000 0.282 192 T C 1.098 175.848 174.700 0.083 0.000 0.993 192 T CA -0.656 61.474 62.100 0.049 0.000 0.994 192 T CB 0.345 69.242 68.868 0.048 0.000 1.025 192 T HN 0.125 nan 8.240 nan 0.000 0.529 193 L N 1.161 122.442 121.223 0.097 0.000 2.012 193 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 193 L C 2.749 179.733 176.870 0.190 0.000 1.073 193 L CA 2.066 57.000 54.840 0.157 0.000 0.748 193 L CB -0.969 41.191 42.059 0.168 0.000 0.891 193 L HN 0.926 nan 8.230 nan 0.000 0.431 194 K N -1.512 118.967 120.400 0.133 0.000 2.057 194 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 194 K C 2.106 178.754 176.600 0.080 0.000 1.049 194 K CA 1.585 57.934 56.287 0.103 0.000 0.931 194 K CB -0.649 31.895 32.500 0.073 0.000 0.714 194 K HN 0.274 nan 8.250 nan 0.000 0.440 195 Q N 1.527 121.372 119.800 0.075 0.000 2.170 195 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 195 Q C 1.902 177.944 176.000 0.069 0.000 0.976 195 Q CA 1.314 57.153 55.803 0.059 0.000 0.858 195 Q CB -0.191 28.578 28.738 0.053 0.000 0.907 195 Q HN 0.478 nan 8.270 nan 0.000 0.433 196 L N -1.406 119.891 121.223 0.122 0.000 2.552 196 L HA 0.147 4.487 4.340 -0.000 0.000 0.227 196 L C 1.117 178.032 176.870 0.075 0.000 1.146 196 L CA 0.539 55.482 54.840 0.172 0.000 0.858 196 L CB -0.205 42.044 42.059 0.316 0.000 0.969 196 L HN 0.522 nan 8.230 nan 0.000 0.451 197 G N -0.646 108.159 108.800 0.007 0.000 2.130 197 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 197 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 197 G C -0.109 174.582 174.900 -0.347 0.000 0.999 197 G CA -0.438 44.552 45.100 -0.182 0.000 0.686 197 G HN 0.165 nan 8.290 nan 0.000 0.515 198 F N 0.884 120.868 119.950 0.057 0.000 2.598 198 F HA 0.700 5.227 4.527 0.000 0.000 0.327 198 F C 0.066 175.926 175.800 0.100 0.000 1.057 198 F CA -0.422 57.624 58.000 0.077 0.000 0.957 198 F CB 1.854 40.900 39.000 0.077 0.000 1.278 198 F HN 0.193 nan 8.300 nan 0.000 0.484 199 D N 0.200 120.815 120.400 0.357 0.000 2.947 199 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 199 D C -1.920 174.605 176.300 0.374 0.000 1.230 199 D CA -0.407 53.757 54.000 0.273 0.000 0.871 199 D CB 2.200 43.098 40.800 0.164 0.000 1.671 199 D HN 0.711 nan 8.370 nan 0.000 0.507 200 W N 2.840 124.188 121.300 0.080 0.000 3.439 200 W HA 0.326 4.986 4.660 -0.000 0.000 0.323 200 W C -1.764 174.747 176.519 -0.013 0.000 1.174 200 W CA -0.590 56.773 57.345 0.030 0.000 1.224 200 W CB 2.221 31.697 29.460 0.027 0.000 1.348 200 W HN 0.538 nan 8.180 nan 0.000 0.498 201 D N 1.936 121.802 120.400 -0.890 0.000 2.602 201 D HA 0.200 4.840 4.640 -0.000 0.000 0.265 201 D C 1.439 177.180 176.300 -0.932 0.000 1.454 201 D CA 0.519 54.108 54.000 -0.684 0.000 0.795 201 D CB 0.387 40.985 40.800 -0.337 0.000 1.140 201 D HN 0.446 nan 8.370 nan 0.000 0.486 202 G N -0.357 107.344 108.800 -1.831 0.000 2.985 202 G HA2 0.464 4.424 3.960 -0.000 0.000 0.209 202 G HA3 0.464 4.424 3.960 -0.000 0.000 0.209 202 G C 0.981 175.576 174.900 -0.508 0.000 1.165 202 G CA 0.240 44.644 45.100 -1.161 0.000 0.776 202 G HN 0.554 nan 8.290 nan 0.000 0.541 203 G N -0.830 107.644 108.800 -0.543 0.000 2.725 203 G HA2 0.035 3.995 3.960 -0.000 0.000 0.220 203 G HA3 0.035 3.995 3.960 -0.000 0.000 0.220 203 G C -0.606 174.063 174.900 -0.385 0.000 1.357 203 G CA -0.517 44.395 45.100 -0.314 0.000 0.866 203 G HN 0.536 nan 8.290 nan 0.000 0.548 204 F N -1.334 118.767 119.950 0.251 0.000 2.645 204 F HA 0.606 5.133 4.527 0.000 0.000 0.310 204 F C -1.568 174.252 175.800 0.032 0.000 1.102 204 F CA -1.430 56.685 58.000 0.192 0.000 0.952 204 F CB 1.652 40.792 39.000 0.234 0.000 1.326 204 F HN 0.300 nan 8.300 nan 0.000 0.456 205 P HA 0.007 nan 4.420 nan 0.000 0.221 205 P C -0.650 176.594 177.300 -0.093 0.000 1.150 205 P CA 0.867 63.823 63.100 -0.240 0.000 0.800 205 P CB 0.643 31.954 31.700 -0.648 0.000 0.787 206 V N -0.680 119.271 119.914 0.061 0.000 2.852 206 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 206 V C -1.139 175.060 176.094 0.175 0.000 1.205 206 V CA -0.979 61.372 62.300 0.086 0.000 0.940 206 V CB 2.129 33.982 31.823 0.050 0.000 1.047 206 V HN -0.271 nan 8.190 nan 0.000 0.429 207 E N 5.685 125.958 120.200 0.121 0.000 2.437 207 E HA 0.200 4.550 4.350 -0.000 0.000 0.263 207 E C -2.415 174.125 176.600 -0.101 0.000 1.030 207 E CA -1.382 55.043 56.400 0.042 0.000 0.934 207 E CB 0.296 30.016 29.700 0.035 0.000 0.943 207 E HN 0.548 nan 8.360 nan 0.000 0.444 208 P HA 0.175 nan 4.420 nan 0.000 0.267 208 P C -0.213 176.815 177.300 -0.453 0.000 1.200 208 P CA 0.640 63.276 63.100 -0.773 0.000 0.772 208 P CB 0.535 31.684 31.700 -0.919 0.000 0.855 209 G N 1.334 109.853 108.800 -0.469 0.000 2.674 209 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 209 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 209 G C 0.585 175.417 174.900 -0.113 0.000 1.195 209 G CA -0.057 44.895 45.100 -0.248 0.000 0.776 209 G HN 0.530 nan 8.290 nan 0.000 0.654 210 E N -0.070 120.084 120.200 -0.078 0.000 2.049 210 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 210 E C 2.393 178.985 176.600 -0.013 0.000 1.007 210 E CA 2.413 58.800 56.400 -0.022 0.000 0.809 210 E CB -0.232 29.451 29.700 -0.028 0.000 0.749 210 E HN 0.602 nan 8.360 nan 0.000 0.450 211 T N 0.580 115.115 114.554 -0.031 0.000 2.684 211 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 211 T C 1.868 176.563 174.700 -0.008 0.000 1.036 211 T CA 1.675 63.763 62.100 -0.020 0.000 1.148 211 T CB -0.430 68.420 68.868 -0.030 0.000 0.863 211 T HN 0.408 nan 8.240 nan 0.000 0.436 212 A N 1.153 123.963 122.820 -0.016 0.000 1.969 212 A HA 0.212 4.532 4.320 -0.000 0.000 0.218 212 A C 2.605 180.205 177.584 0.026 0.000 1.169 212 A CA 1.750 53.787 52.037 0.001 0.000 0.635 212 A CB -0.963 18.030 19.000 -0.012 0.000 0.810 212 A HN 0.513 nan 8.150 nan 0.000 0.445 213 A N 0.020 122.862 122.820 0.037 0.000 1.898 213 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 213 A C 2.090 179.711 177.584 0.061 0.000 1.181 213 A CA 1.451 53.529 52.037 0.068 0.000 0.620 213 A CB -0.556 18.502 19.000 0.097 0.000 0.819 213 A HN 0.478 nan 8.150 nan 0.000 0.442 214 I N -0.294 120.304 120.570 0.048 0.000 2.315 214 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 214 I C 2.899 179.039 176.117 0.038 0.000 1.117 214 I CA 0.934 62.261 61.300 0.046 0.000 1.404 214 I CB -0.256 37.763 38.000 0.033 0.000 1.071 214 I HN 0.371 nan 8.210 nan 0.000 0.419 215 A N 0.777 123.615 122.820 0.029 0.000 1.930 215 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 215 A C 2.326 179.930 177.584 0.033 0.000 1.175 215 A CA 1.647 53.699 52.037 0.025 0.000 0.627 215 A CB -0.430 18.580 19.000 0.018 0.000 0.815 215 A HN 0.279 nan 8.150 nan 0.000 0.443 216 R N -0.212 120.310 120.500 0.038 0.000 2.075 216 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 216 R C 1.884 178.219 176.300 0.058 0.000 1.126 216 R CA 1.673 57.798 56.100 0.041 0.000 0.963 216 R CB -1.007 29.308 30.300 0.025 0.000 0.858 216 R HN 0.415 nan 8.270 nan 0.000 0.435 217 L N 0.928 122.185 121.223 0.057 0.000 2.012 217 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 217 L C 1.977 178.881 176.870 0.057 0.000 1.073 217 L CA 1.987 56.867 54.840 0.068 0.000 0.748 217 L CB -0.648 41.464 42.059 0.088 0.000 0.891 217 L HN 0.340 nan 8.230 nan 0.000 0.431 218 Q N -0.654 119.170 119.800 0.039 0.000 2.084 218 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 218 Q C 2.149 178.152 176.000 0.005 0.000 0.978 218 Q CA 1.983 57.795 55.803 0.015 0.000 0.844 218 Q CB -0.198 28.548 28.738 0.014 0.000 0.898 218 Q HN 0.651 nan 8.270 nan 0.000 0.426 219 E N -0.060 120.157 120.200 0.029 0.000 2.106 219 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 219 E C 1.604 178.222 176.600 0.031 0.000 0.984 219 E CA 0.751 57.166 56.400 0.026 0.000 0.806 219 E CB -0.074 29.651 29.700 0.042 0.000 0.750 219 E HN 0.240 nan 8.360 nan 0.000 0.458 220 F N 0.667 120.549 119.950 -0.114 0.000 2.113 220 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 220 F C 1.984 177.649 175.800 -0.226 0.000 1.103 220 F CA 0.996 58.891 58.000 -0.175 0.000 1.248 220 F CB -0.290 38.560 39.000 -0.250 0.000 0.999 220 F HN -0.001 nan 8.300 nan 0.000 0.475 221 C N 0.525 119.670 119.300 -0.259 0.000 2.456 221 C HA -0.069 4.391 4.460 -0.000 0.000 0.279 221 C C 2.092 176.932 174.990 -0.250 0.000 1.427 221 C CA 0.790 59.600 59.018 -0.346 0.000 1.778 221 C CB -1.215 26.409 27.740 -0.193 0.000 1.842 221 C HN 0.436 nan 8.230 nan 0.000 0.531 222 D N -0.302 119.994 120.400 -0.174 0.000 2.323 222 D HA 0.028 4.668 4.640 -0.000 0.000 0.209 222 D C 2.348 178.564 176.300 -0.139 0.000 0.973 222 D CA 0.822 54.748 54.000 -0.124 0.000 0.874 222 D CB 0.162 40.919 40.800 -0.072 0.000 0.930 222 D HN 0.389 nan 8.370 nan 0.000 0.521 223 R N -0.901 119.483 120.500 -0.193 0.000 5.324 223 R HA 0.321 4.661 4.340 -0.000 0.000 0.103 223 R C 1.751 177.912 176.300 -0.232 0.000 0.980 223 R CA 0.721 56.721 56.100 -0.167 0.000 0.877 223 R CB -0.959 29.286 30.300 -0.092 0.000 1.354 223 R HN -0.034 nan 8.270 nan 0.000 0.391 224 A N 2.039 124.717 122.820 -0.236 0.000 1.997 224 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 224 A C 2.084 179.399 177.584 -0.448 0.000 1.172 224 A CA 1.843 53.748 52.037 -0.219 0.000 0.645 224 A CB -0.836 18.159 19.000 -0.008 0.000 0.813 224 A HN 0.402 nan 8.150 nan 0.000 0.454 225 I N -0.639 119.321 120.570 -1.016 0.000 2.423 225 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 225 I C 2.567 178.490 176.117 -0.323 0.000 1.151 225 I CA 1.133 61.825 61.300 -1.012 0.000 1.421 225 I CB -0.144 37.122 38.000 -1.223 0.000 1.079 225 I HN 0.368 nan 8.210 nan 0.000 0.431 226 A N -0.265 122.409 122.820 -0.244 0.000 2.070 226 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 226 A C 1.615 179.188 177.584 -0.019 0.000 1.159 226 A CA 1.869 53.844 52.037 -0.103 0.000 0.656 226 A CB -0.352 18.588 19.000 -0.099 0.000 0.800 226 A HN 0.510 nan 8.150 nan 0.000 0.453 227 D N -2.571 117.829 120.400 -0.000 0.000 2.395 227 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 227 D C 0.937 177.313 176.300 0.127 0.000 1.110 227 D CA -0.213 53.823 54.000 0.060 0.000 0.835 227 D CB -0.128 40.704 40.800 0.053 0.000 0.965 227 D HN 0.467 nan 8.370 nan 0.000 0.505 228 Y N 2.198 122.520 120.300 0.037 0.000 2.096 228 Y HA -0.254 4.296 4.550 0.000 0.000 0.278 228 Y C 0.526 176.502 175.900 0.126 0.000 1.192 228 Y CA 1.565 59.748 58.100 0.139 0.000 1.143 228 Y CB 0.043 38.626 38.460 0.205 0.000 0.963 228 Y HN -0.159 nan 8.280 nan 0.000 0.505 229 D N -0.140 120.307 120.400 0.077 0.000 2.303 229 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 229 D C -2.169 174.149 176.300 0.030 0.000 1.068 229 D CA -2.504 51.486 54.000 -0.016 0.000 0.830 229 D CB 1.444 42.278 40.800 0.056 0.000 1.109 229 D HN 0.081 nan 8.370 nan 0.000 0.496 230 P HA 0.054 nan 4.420 nan 0.000 0.268 230 P C 0.653 177.908 177.300 -0.076 0.000 1.329 230 P CA -0.064 63.010 63.100 -0.043 0.000 0.899 230 P CB 0.730 32.453 31.700 0.037 0.000 1.378 231 Q N 0.992 120.820 119.800 0.047 0.000 2.368 231 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 231 Q C 2.142 178.144 176.000 0.003 0.000 0.982 231 Q CA 1.184 57.077 55.803 0.150 0.000 0.884 231 Q CB -0.516 28.327 28.738 0.176 0.000 0.933 231 Q HN 0.567 nan 8.270 nan 0.000 0.460 232 R N -0.016 120.331 120.500 -0.256 0.000 2.189 232 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 232 R C 1.175 177.353 176.300 -0.204 0.000 1.092 232 R CA 1.139 57.040 56.100 -0.332 0.000 0.989 232 R CB -0.239 29.484 30.300 -0.962 0.000 0.876 232 R HN 0.147 nan 8.270 nan 0.000 0.457 233 N N 0.393 118.822 118.700 -0.451 0.000 2.457 233 N HA -0.015 4.725 4.740 -0.000 0.000 0.180 233 N C -0.614 174.520 175.510 -0.626 0.000 1.050 233 N CA 0.658 53.332 53.050 -0.627 0.000 0.906 233 N CB 0.126 38.152 38.487 -0.769 0.000 0.968 233 N HN 0.140 nan 8.380 nan 0.000 0.445 234 F N 0.502 120.444 119.950 -0.014 0.000 2.361 234 F HA 0.373 4.900 4.527 -0.000 0.000 0.364 234 F C -1.512 174.015 175.800 -0.455 0.000 1.117 234 F CA -2.651 55.274 58.000 -0.126 0.000 1.071 234 F CB 1.496 40.489 39.000 -0.010 0.000 1.188 234 F HN -0.217 nan 8.300 nan 0.000 0.464 235 P HA -0.228 nan 4.420 nan 0.000 0.217 235 P C 1.479 178.689 177.300 -0.151 0.000 1.148 235 P CA 1.887 64.439 63.100 -0.913 0.000 0.828 235 P CB 0.274 31.282 31.700 -1.154 0.000 0.783 236 A N -0.818 122.041 122.820 0.065 0.000 1.969 236 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 236 A C 1.171 178.863 177.584 0.180 0.000 1.169 236 A CA 1.208 53.382 52.037 0.227 0.000 0.635 236 A CB -0.662 18.436 19.000 0.163 0.000 0.810 236 A HN 0.093 nan 8.150 nan 0.000 0.445 237 E N -0.420 119.874 120.200 0.156 0.000 2.301 237 E HA 0.466 4.816 4.350 -0.000 0.000 0.275 237 E C -0.314 176.416 176.600 0.217 0.000 1.030 237 E CA 0.116 56.623 56.400 0.177 0.000 0.852 237 E CB 1.126 30.957 29.700 0.219 0.000 1.060 237 E HN 0.224 nan 8.360 nan 0.000 0.401 238 A N 2.397 125.340 122.820 0.205 0.000 3.126 238 A HA 0.373 4.693 4.320 -0.000 0.000 0.268 238 A C 1.118 178.853 177.584 0.252 0.000 1.605 238 A CA 0.056 52.228 52.037 0.226 0.000 1.305 238 A CB -0.698 18.399 19.000 0.162 0.000 1.160 238 A HN 0.576 nan 8.150 nan 0.000 0.609 239 G N 0.068 109.053 108.800 0.308 0.000 3.088 239 G HA2 0.262 4.222 3.960 -0.000 0.000 0.217 239 G HA3 0.262 4.222 3.960 -0.000 0.000 0.217 239 G C 0.800 175.994 174.900 0.489 0.000 1.159 239 G CA 0.841 46.146 45.100 0.341 0.000 0.760 239 G HN 0.700 nan 8.290 nan 0.000 0.550 240 T N -2.690 112.126 114.554 0.438 0.000 2.910 240 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 240 T C 1.768 176.478 174.700 0.017 0.000 0.989 240 T CA 0.464 62.819 62.100 0.426 0.000 0.968 240 T CB 1.601 70.710 68.868 0.401 0.000 1.135 240 T HN 0.104 nan 8.240 nan 0.000 0.562 241 S N -0.639 114.817 115.700 -0.407 0.000 2.425 241 S HA 0.285 4.755 4.470 -0.000 0.000 0.225 241 S C 2.025 176.440 174.600 -0.309 0.000 1.024 241 S CA 0.715 58.414 58.200 -0.835 0.000 0.951 241 S CB -1.187 61.382 63.200 -1.052 0.000 0.796 241 S HN 2.221 nan 8.310 nan 0.000 0.498 242 G N 1.023 109.727 108.800 -0.161 0.000 2.148 242 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.254 242 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.254 242 G C 0.478 175.293 174.900 -0.142 0.000 0.981 242 G CA 0.472 45.414 45.100 -0.265 0.000 0.670 242 G HN 0.544 nan 8.290 nan 0.000 0.528 243 L N 1.502 122.698 121.223 -0.044 0.000 2.599 243 L HA 0.059 4.399 4.340 -0.000 0.000 0.230 243 L C 2.893 179.787 176.870 0.040 0.000 1.141 243 L CA 1.077 55.928 54.840 0.019 0.000 0.877 243 L CB -0.285 41.823 42.059 0.081 0.000 1.009 243 L HN 0.489 nan 8.230 nan 0.000 0.447 244 S N 1.003 116.743 115.700 0.066 0.000 2.378 244 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 244 S C -0.269 174.317 174.600 -0.024 0.000 1.052 244 S CA 1.456 59.689 58.200 0.056 0.000 1.084 244 S CB -2.038 61.253 63.200 0.151 0.000 0.950 244 S HN 0.335 nan 8.310 nan 0.000 0.440 245 P HA 0.123 nan 4.420 nan 0.000 0.221 245 P C 1.500 178.708 177.300 -0.154 0.000 1.150 245 P CA 1.515 64.442 63.100 -0.289 0.000 0.800 245 P CB -0.209 31.078 31.700 -0.689 0.000 0.787 246 A N -0.008 122.805 122.820 -0.012 0.000 1.969 246 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 246 A C 2.336 180.024 177.584 0.173 0.000 1.169 246 A CA 1.039 53.199 52.037 0.205 0.000 0.635 246 A CB -1.406 17.699 19.000 0.176 0.000 0.810 246 A HN 0.144 nan 8.150 nan 0.000 0.445 247 L N -0.915 120.366 121.223 0.097 0.000 2.209 247 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 247 L C 2.582 179.480 176.870 0.046 0.000 1.094 247 L CA 1.111 56.002 54.840 0.086 0.000 0.790 247 L CB -0.278 41.817 42.059 0.061 0.000 0.932 247 L HN 0.324 nan 8.230 nan 0.000 0.447 248 K N 0.576 120.955 120.400 -0.036 0.000 2.025 248 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 248 K C 1.696 178.161 176.600 -0.225 0.000 1.049 248 K CA 1.725 57.900 56.287 -0.187 0.000 0.933 248 K CB -0.049 32.238 32.500 -0.355 0.000 0.714 248 K HN 0.177 nan 8.250 nan 0.000 0.438 249 F N 0.213 120.230 119.950 0.112 0.000 2.765 249 F HA 0.233 4.759 4.527 -0.000 0.000 0.302 249 F C 1.255 177.154 175.800 0.165 0.000 1.111 249 F CA 0.577 58.674 58.000 0.162 0.000 1.359 249 F CB 0.258 39.405 39.000 0.245 0.000 1.097 249 F HN 0.318 nan 8.300 nan 0.000 0.577 250 G N 0.541 109.506 108.800 0.275 0.000 2.221 250 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.265 250 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.265 250 G C 1.292 176.322 174.900 0.216 0.000 1.041 250 G CA 0.370 45.608 45.100 0.230 0.000 0.807 250 G HN 0.565 nan 8.290 nan 0.000 0.502 251 A N -1.307 121.652 122.820 0.231 0.000 2.067 251 A HA 0.504 4.824 4.320 -0.000 0.000 0.219 251 A C 1.136 178.797 177.584 0.128 0.000 1.158 251 A CA 1.634 53.765 52.037 0.157 0.000 0.661 251 A CB 0.186 19.294 19.000 0.179 0.000 0.801 251 A HN 1.308 nan 8.150 nan 0.000 0.452 252 I N -1.426 119.233 120.570 0.149 0.000 2.608 252 I HA 0.617 4.787 4.170 -0.000 0.000 0.295 252 I C 0.424 176.626 176.117 0.142 0.000 1.049 252 I CA -0.610 60.770 61.300 0.134 0.000 1.063 252 I CB 1.695 39.780 38.000 0.143 0.000 1.248 252 I HN 0.044 nan 8.210 nan 0.000 0.424 253 G N 5.361 114.240 108.800 0.131 0.000 2.444 253 G HA2 0.309 4.269 3.960 -0.000 0.000 0.268 253 G HA3 0.309 4.269 3.960 -0.000 0.000 0.268 253 G C 0.534 175.527 174.900 0.156 0.000 1.203 253 G CA -0.295 44.886 45.100 0.134 0.000 0.835 253 G HN 0.719 nan 8.290 nan 0.000 0.543 254 I N 0.835 121.499 120.570 0.156 0.000 2.493 254 I HA -0.046 4.124 4.170 -0.000 0.000 0.254 254 I C 2.580 178.823 176.117 0.209 0.000 1.160 254 I CA 1.072 62.479 61.300 0.179 0.000 1.445 254 I CB -0.047 38.045 38.000 0.154 0.000 1.086 254 I HN 0.568 nan 8.210 nan 0.000 0.433 255 R N -0.504 120.094 120.500 0.163 0.000 2.119 255 R HA -0.039 4.301 4.340 -0.000 0.000 0.222 255 R C 2.159 178.589 176.300 0.217 0.000 1.088 255 R CA 1.006 57.211 56.100 0.176 0.000 0.984 255 R CB -0.252 30.108 30.300 0.099 0.000 0.884 255 R HN 0.482 nan 8.270 nan 0.000 0.447 256 Q N 0.181 120.088 119.800 0.178 0.000 2.079 256 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 256 Q C 2.233 178.355 176.000 0.204 0.000 0.974 256 Q CA 1.506 57.405 55.803 0.160 0.000 0.840 256 Q CB -0.124 28.690 28.738 0.126 0.000 0.898 256 Q HN 0.345 nan 8.270 nan 0.000 0.430 257 A N 1.153 124.127 122.820 0.258 0.000 1.877 257 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 257 A C 1.781 179.604 177.584 0.399 0.000 1.186 257 A CA 1.137 53.382 52.037 0.347 0.000 0.620 257 A CB -1.145 18.092 19.000 0.393 0.000 0.822 257 A HN 0.695 nan 8.150 nan 0.000 0.443 258 W N 0.650 122.085 121.300 0.224 0.000 2.358 258 W HA -0.194 4.466 4.660 -0.000 0.000 0.303 258 W C 2.179 178.799 176.519 0.169 0.000 1.208 258 W CA 2.054 59.526 57.345 0.211 0.000 1.274 258 W CB -0.356 29.190 29.460 0.142 0.000 1.138 258 W HN 0.604 nan 8.180 nan 0.000 0.515 259 Q N 0.486 120.439 119.800 0.255 0.000 2.046 259 Q HA -0.167 4.172 4.340 -0.000 0.000 0.200 259 Q C 2.409 178.434 176.000 0.041 0.000 0.975 259 Q CA 2.161 58.046 55.803 0.137 0.000 0.836 259 Q CB -0.463 28.370 28.738 0.159 0.000 0.896 259 Q HN 0.157 nan 8.270 nan 0.000 0.428 260 A N 0.728 123.589 122.820 0.067 0.000 1.940 260 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 260 A C 2.230 179.797 177.584 -0.028 0.000 1.176 260 A CA 1.781 53.834 52.037 0.026 0.000 0.631 260 A CB -0.859 18.169 19.000 0.048 0.000 0.814 260 A HN 0.560 nan 8.150 nan 0.000 0.446 261 A N -1.160 121.640 122.820 -0.033 0.000 1.929 261 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 261 A C 2.447 179.946 177.584 -0.141 0.000 1.176 261 A CA 1.906 53.894 52.037 -0.081 0.000 0.628 261 A CB -0.811 18.212 19.000 0.039 0.000 0.816 261 A HN 0.547 nan 8.150 nan 0.000 0.444 262 S N -0.327 115.226 115.700 -0.244 0.000 2.383 262 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 262 S C 2.099 176.682 174.600 -0.029 0.000 1.026 262 S CA 1.430 59.508 58.200 -0.203 0.000 0.981 262 S CB -0.378 62.683 63.200 -0.233 0.000 0.818 262 S HN 0.752 nan 8.310 nan 0.000 0.472 263 A N 0.819 123.625 122.820 -0.022 0.000 1.968 263 A HA 0.370 4.690 4.320 -0.000 0.000 0.217 263 A C 2.335 179.915 177.584 -0.006 0.000 1.169 263 A CA 1.461 53.500 52.037 0.002 0.000 0.638 263 A CB -1.000 18.002 19.000 0.002 0.000 0.812 263 A HN 0.689 nan 8.150 nan 0.000 0.446 264 A N -1.440 121.365 122.820 -0.025 0.000 1.968 264 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 264 A C 2.079 179.648 177.584 -0.024 0.000 1.169 264 A CA 1.464 53.472 52.037 -0.049 0.000 0.638 264 A CB -0.805 18.136 19.000 -0.099 0.000 0.812 264 A HN 0.721 nan 8.150 nan 0.000 0.446 265 H N 0.048 119.072 119.070 -0.077 0.000 2.395 265 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 265 H C 2.155 177.464 175.328 -0.032 0.000 1.070 265 H CA 1.524 57.541 56.048 -0.053 0.000 1.356 265 H CB -0.051 29.678 29.762 -0.055 0.000 1.401 265 H HN 0.401 nan 8.280 nan 0.000 0.524 266 A N 0.925 123.785 122.820 0.067 0.000 1.968 266 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 266 A C 2.446 180.009 177.584 -0.036 0.000 1.169 266 A CA 0.970 53.025 52.037 0.030 0.000 0.638 266 A CB -0.557 18.482 19.000 0.065 0.000 0.812 266 A HN 0.404 nan 8.150 nan 0.000 0.446 267 L N -0.256 120.943 121.223 -0.040 0.000 2.179 267 L HA 0.111 4.451 4.340 -0.000 0.000 0.208 267 L C 1.451 178.278 176.870 -0.071 0.000 1.096 267 L CA 1.251 56.063 54.840 -0.047 0.000 0.779 267 L CB -0.444 41.590 42.059 -0.042 0.000 0.922 267 L HN 0.265 nan 8.230 nan 0.000 0.443 268 S N -0.006 115.630 115.700 -0.105 0.000 2.560 268 S HA 0.082 4.552 4.470 -0.000 0.000 0.284 268 S C 1.224 175.752 174.600 -0.120 0.000 1.327 268 S CA -0.374 57.755 58.200 -0.119 0.000 1.055 268 S CB 0.317 63.425 63.200 -0.153 0.000 0.868 268 S HN 0.526 nan 8.310 nan 0.000 0.506 269 R N 2.381 122.829 120.500 -0.087 0.000 2.476 269 R HA 0.201 4.541 4.340 -0.000 0.000 0.276 269 R C 0.245 176.508 176.300 -0.061 0.000 0.941 269 R CA -0.144 55.914 56.100 -0.070 0.000 1.088 269 R CB -0.890 29.381 30.300 -0.048 0.000 1.216 269 R HN 0.460 nan 8.270 nan 0.000 0.533 270 S N 0.785 116.446 115.700 -0.066 0.000 2.480 270 S HA 0.263 4.733 4.470 -0.000 0.000 0.286 270 S C 0.136 174.707 174.600 -0.047 0.000 1.180 270 S CA -0.490 57.682 58.200 -0.047 0.000 1.075 270 S CB 1.489 64.666 63.200 -0.038 0.000 0.996 270 S HN 0.078 nan 8.310 nan 0.000 0.487 271 D N 3.314 123.699 120.400 -0.025 0.000 2.097 271 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 271 D C 1.711 178.014 176.300 0.005 0.000 0.989 271 D CA 1.548 55.543 54.000 -0.009 0.000 0.827 271 D CB -0.068 40.735 40.800 0.005 0.000 0.966 271 D HN 0.795 nan 8.370 nan 0.000 0.456 272 E N 0.244 120.449 120.200 0.008 0.000 2.118 272 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 272 E C 2.020 178.633 176.600 0.022 0.000 0.992 272 E CA 0.951 57.363 56.400 0.021 0.000 0.804 272 E CB -0.038 29.673 29.700 0.019 0.000 0.741 272 E HN 0.200 nan 8.360 nan 0.000 0.458 273 A N 1.578 124.396 122.820 -0.004 0.000 1.930 273 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 273 A C 2.035 179.617 177.584 -0.004 0.000 1.175 273 A CA 0.873 52.901 52.037 -0.016 0.000 0.627 273 A CB -0.226 18.743 19.000 -0.051 0.000 0.815 273 A HN 0.048 nan 8.150 nan 0.000 0.443 274 R N -0.010 120.474 120.500 -0.026 0.000 2.080 274 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 274 R C 2.036 178.428 176.300 0.154 0.000 1.137 274 R CA 1.737 57.832 56.100 -0.008 0.000 0.943 274 R CB -1.228 29.035 30.300 -0.062 0.000 0.846 274 R HN 0.694 nan 8.270 nan 0.000 0.431 275 N N 0.833 119.601 118.700 0.113 0.000 2.043 275 N HA -0.151 4.588 4.740 -0.000 0.000 0.193 275 N C 1.665 177.266 175.510 0.152 0.000 1.037 275 N CA 2.147 55.274 53.050 0.128 0.000 0.851 275 N CB -0.174 38.367 38.487 0.091 0.000 1.027 275 N HN 0.024 nan 8.380 nan 0.000 0.422 276 S N -0.181 115.604 115.700 0.141 0.000 2.374 276 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 276 S C 1.918 176.660 174.600 0.237 0.000 1.037 276 S CA 1.256 59.578 58.200 0.204 0.000 1.024 276 S CB -0.387 62.906 63.200 0.154 0.000 0.861 276 S HN 0.378 nan 8.310 nan 0.000 0.456 277 I N 0.823 121.490 120.570 0.163 0.000 2.353 277 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 277 I C 2.521 178.745 176.117 0.179 0.000 1.119 277 I CA 0.819 62.208 61.300 0.148 0.000 1.417 277 I CB -0.253 37.822 38.000 0.125 0.000 1.078 277 I HN 0.142 nan 8.210 nan 0.000 0.421 278 R N 0.489 121.100 120.500 0.185 0.000 2.092 278 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 278 R C 2.300 178.689 176.300 0.148 0.000 1.119 278 R CA 1.029 57.216 56.100 0.144 0.000 0.970 278 R CB -0.681 29.714 30.300 0.158 0.000 0.864 278 R HN 0.273 nan 8.270 nan 0.000 0.440 279 V N -0.421 119.602 119.914 0.181 0.000 2.358 279 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 279 V C 1.962 178.177 176.094 0.201 0.000 1.047 279 V CA 1.417 63.827 62.300 0.182 0.000 1.035 279 V CB -0.528 31.466 31.823 0.285 0.000 0.658 279 V HN 0.365 nan 8.190 nan 0.000 0.452 280 W N 0.804 122.087 121.300 -0.028 0.000 2.381 280 W HA -0.168 4.492 4.660 -0.000 0.000 0.301 280 W C 2.572 179.038 176.519 -0.087 0.000 1.205 280 W CA 1.755 58.910 57.345 -0.317 0.000 1.285 280 W CB -0.232 28.968 29.460 -0.433 0.000 1.133 280 W HN 0.230 nan 8.180 nan 0.000 0.521 281 Q N -0.475 119.398 119.800 0.121 0.000 2.135 281 Q HA -0.320 4.020 4.340 -0.000 0.000 0.204 281 Q C 2.155 178.250 176.000 0.158 0.000 0.981 281 Q CA 1.922 57.795 55.803 0.118 0.000 0.856 281 Q CB -0.511 28.254 28.738 0.045 0.000 0.902 281 Q HN 0.465 nan 8.270 nan 0.000 0.425 282 Q N 0.249 120.047 119.800 -0.002 0.000 2.297 282 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 282 Q C 1.486 177.335 176.000 -0.252 0.000 0.962 282 Q CA 0.674 56.317 55.803 -0.266 0.000 0.879 282 Q CB 0.337 28.734 28.738 -0.568 0.000 0.947 282 Q HN 0.253 nan 8.270 nan 0.000 0.462 283 E N 0.444 120.514 120.200 -0.217 0.000 2.106 283 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 283 E C 1.975 178.465 176.600 -0.183 0.000 0.984 283 E CA 0.831 57.122 56.400 -0.180 0.000 0.806 283 E CB -0.101 29.392 29.700 -0.346 0.000 0.750 283 E HN 0.478 nan 8.360 nan 0.000 0.458 284 L N 0.234 121.313 121.223 -0.241 0.000 2.201 284 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 284 L C 2.448 179.229 176.870 -0.149 0.000 1.105 284 L CA 0.901 55.668 54.840 -0.121 0.000 0.775 284 L CB -0.529 41.567 42.059 0.063 0.000 0.913 284 L HN 0.035 nan 8.230 nan 0.000 0.440 285 A N -0.701 121.924 122.820 -0.325 0.000 1.929 285 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 285 A C 2.018 179.469 177.584 -0.221 0.000 1.176 285 A CA 0.796 52.356 52.037 -0.796 0.000 0.628 285 A CB -0.738 17.908 19.000 -0.590 0.000 0.816 285 A HN 0.553 nan 8.150 nan 0.000 0.444 286 W N 1.166 122.286 121.300 -0.300 0.000 2.402 286 W HA -0.079 4.581 4.660 -0.000 0.000 0.286 286 W C 2.363 178.725 176.519 -0.262 0.000 1.221 286 W CA 1.133 58.275 57.345 -0.338 0.000 1.257 286 W CB -0.406 28.765 29.460 -0.482 0.000 1.120 286 W HN 0.428 nan 8.180 nan 0.000 0.551 287 R N 0.646 121.141 120.500 -0.009 0.000 2.081 287 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 287 R C 1.961 178.254 176.300 -0.011 0.000 1.131 287 R CA 2.028 58.113 56.100 -0.024 0.000 0.960 287 R CB -0.493 29.788 30.300 -0.032 0.000 0.856 287 R HN 0.141 nan 8.270 nan 0.000 0.436 288 E N -0.123 120.051 120.200 -0.044 0.000 2.150 288 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 288 E C 1.798 178.242 176.600 -0.260 0.000 0.985 288 E CA 0.961 57.339 56.400 -0.038 0.000 0.814 288 E CB -0.281 29.458 29.700 0.065 0.000 0.752 288 E HN 0.354 nan 8.360 nan 0.000 0.466 289 F N 1.335 120.923 119.950 -0.603 0.000 2.095 289 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 289 F C 1.938 177.458 175.800 -0.467 0.000 1.104 289 F CA 1.439 58.794 58.000 -1.074 0.000 1.232 289 F CB -0.381 38.074 39.000 -0.908 0.000 0.987 289 F HN -0.087 nan 8.300 nan 0.000 0.475 290 Y N 0.700 120.803 120.300 -0.329 0.000 2.314 290 Y HA -0.127 4.423 4.550 0.000 0.000 0.293 290 Y C 2.610 178.394 175.900 -0.192 0.000 1.129 290 Y CA 1.375 59.274 58.100 -0.334 0.000 1.201 290 Y CB -1.139 37.173 38.460 -0.247 0.000 0.999 290 Y HN 0.223 nan 8.280 nan 0.000 0.541 291 Q N -0.965 118.873 119.800 0.063 0.000 2.083 291 Q HA -0.174 4.166 4.340 -0.000 0.000 0.198 291 Q C 1.894 177.988 176.000 0.158 0.000 0.969 291 Q CA 1.346 57.222 55.803 0.122 0.000 0.838 291 Q CB -0.316 28.519 28.738 0.163 0.000 0.900 291 Q HN 0.707 nan 8.270 nan 0.000 0.436 292 H N -0.264 118.772 119.070 -0.058 0.000 2.389 292 H HA -0.042 4.513 4.556 -0.000 0.000 0.299 292 H C 2.108 177.422 175.328 -0.023 0.000 1.081 292 H CA 0.543 56.561 56.048 -0.050 0.000 1.345 292 H CB 0.217 30.073 29.762 0.158 0.000 1.393 292 H HN 0.281 nan 8.280 nan 0.000 0.520 293 A N 1.293 124.122 122.820 0.014 0.000 1.902 293 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 293 A C 2.329 179.969 177.584 0.094 0.000 1.181 293 A CA 1.195 53.248 52.037 0.026 0.000 0.623 293 A CB -0.634 18.240 19.000 -0.210 0.000 0.818 293 A HN 0.283 nan 8.150 nan 0.000 0.443 294 L N -1.680 119.582 121.223 0.066 0.000 2.083 294 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 294 L C 2.266 179.175 176.870 0.065 0.000 1.083 294 L CA 2.262 57.149 54.840 0.079 0.000 0.752 294 L CB -0.916 41.189 42.059 0.077 0.000 0.899 294 L HN 0.533 nan 8.230 nan 0.000 0.433 295 Y N -0.620 119.621 120.300 -0.098 0.000 2.114 295 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 295 Y C 2.724 178.472 175.900 -0.253 0.000 1.143 295 Y CA 2.225 60.215 58.100 -0.184 0.000 1.135 295 Y CB -0.283 37.971 38.460 -0.343 0.000 0.980 295 Y HN 0.340 nan 8.280 nan 0.000 0.499 296 H N -1.402 117.604 119.070 -0.106 0.000 2.395 296 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 296 H C -0.085 174.830 175.328 -0.688 0.000 1.070 296 H CA 1.225 56.971 56.048 -0.502 0.000 1.356 296 H CB -0.300 28.988 29.762 -0.791 0.000 1.401 296 H HN 0.256 nan 8.280 nan 0.000 0.524 297 F N 1.426 121.454 119.950 0.130 0.000 2.531 297 F HA 0.277 4.804 4.527 -0.000 0.000 0.333 297 F C -1.630 174.215 175.800 0.075 0.000 1.292 297 F CA -2.847 55.215 58.000 0.103 0.000 1.184 297 F CB 1.115 40.131 39.000 0.027 0.000 1.426 297 F HN -0.063 nan 8.300 nan 0.000 0.559 298 P HA -0.216 nan 4.420 nan 0.000 0.218 298 P C 1.540 178.941 177.300 0.169 0.000 1.146 298 P CA 1.604 64.773 63.100 0.116 0.000 0.813 298 P CB 0.110 31.836 31.700 0.044 0.000 0.778 299 S N -0.692 115.152 115.700 0.241 0.000 2.500 299 S HA -0.086 4.384 4.470 -0.000 0.000 0.239 299 S C 2.039 176.817 174.600 0.296 0.000 0.989 299 S CA 0.458 58.806 58.200 0.248 0.000 0.951 299 S CB -1.604 61.756 63.200 0.267 0.000 0.759 299 S HN 0.093 nan 8.310 nan 0.000 0.523 300 L N 0.987 122.387 121.223 0.295 0.000 2.079 300 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 300 L C 3.076 180.078 176.870 0.221 0.000 1.081 300 L CA 1.277 56.262 54.840 0.241 0.000 0.752 300 L CB -0.779 41.327 42.059 0.079 0.000 0.896 300 L HN 0.511 nan 8.230 nan 0.000 0.433 301 A N -0.576 122.345 122.820 0.168 0.000 2.070 301 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 301 A C 1.766 179.425 177.584 0.125 0.000 1.159 301 A CA 1.687 53.807 52.037 0.139 0.000 0.656 301 A CB -0.390 18.672 19.000 0.103 0.000 0.800 301 A HN 0.391 nan 8.150 nan 0.000 0.453 302 D N -0.823 119.654 120.400 0.128 0.000 2.269 302 D HA 0.284 4.924 4.640 -0.000 0.000 0.208 302 D C 1.218 177.534 176.300 0.027 0.000 0.963 302 D CA 1.441 55.485 54.000 0.073 0.000 0.864 302 D CB 0.170 41.019 40.800 0.080 0.000 0.936 302 D HN 0.594 nan 8.370 nan 0.000 0.505 303 G N -0.207 108.654 108.800 0.101 0.000 2.302 303 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G C -2.781 172.260 174.900 0.235 0.000 1.316 303 G CA -1.156 43.919 45.100 -0.042 0.000 0.988 303 G HN -0.197 nan 8.290 nan 0.000 0.479 304 P HA 0.035 nan 4.420 nan 0.000 0.257 304 P C -0.123 177.426 177.300 0.416 0.000 1.153 304 P CA 0.697 64.089 63.100 0.485 0.000 0.762 304 P CB 0.098 32.061 31.700 0.438 0.000 0.743 305 Y N 5.392 125.865 120.300 0.288 0.000 2.201 305 Y HA 0.062 4.612 4.550 -0.000 0.000 0.292 305 Y C 1.172 177.182 175.900 0.182 0.000 1.119 305 Y CA 1.023 59.237 58.100 0.191 0.000 1.127 305 Y CB 0.080 38.624 38.460 0.139 0.000 1.019 305 Y HN 0.160 nan 8.280 nan 0.000 0.514 306 R N 0.753 121.449 120.500 0.327 0.000 2.623 306 R HA 0.012 4.352 4.340 -0.000 0.000 0.271 306 R C 1.735 178.145 176.300 0.183 0.000 1.043 306 R CA 0.525 56.766 56.100 0.235 0.000 1.083 306 R CB 0.594 31.142 30.300 0.412 0.000 0.974 306 R HN 0.447 nan 8.270 nan 0.000 0.436 307 S N 3.348 119.081 115.700 0.056 0.000 2.365 307 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 307 S C 1.832 176.437 174.600 0.008 0.000 1.039 307 S CA 0.988 59.197 58.200 0.014 0.000 1.033 307 S CB -0.243 62.940 63.200 -0.028 0.000 0.887 307 S HN 0.611 nan 8.310 nan 0.000 0.447 308 L N 0.281 121.486 121.223 -0.031 0.000 2.012 308 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 308 L C 2.184 178.917 176.870 -0.229 0.000 1.073 308 L CA 2.005 56.722 54.840 -0.205 0.000 0.748 308 L CB -1.574 40.277 42.059 -0.347 0.000 0.891 308 L HN 0.502 nan 8.230 nan 0.000 0.431 309 W N 0.313 121.677 121.300 0.107 0.000 2.519 309 W HA -0.100 4.559 4.660 -0.000 0.000 0.266 309 W C 2.608 179.228 176.519 0.168 0.000 1.253 309 W CA 0.431 57.872 57.345 0.159 0.000 1.274 309 W CB -0.243 29.358 29.460 0.235 0.000 1.114 309 W HN 0.297 nan 8.180 nan 0.000 0.596 310 Q N 0.050 120.014 119.800 0.273 0.000 2.436 310 Q HA -0.147 4.193 4.340 -0.000 0.000 0.209 310 Q C 1.604 177.670 176.000 0.110 0.000 0.965 310 Q CA 0.937 56.852 55.803 0.186 0.000 0.910 310 Q CB -0.139 28.660 28.738 0.102 0.000 0.980 310 Q HN 0.515 nan 8.270 nan 0.000 0.491 311 Q N -0.856 118.970 119.800 0.043 0.000 2.317 311 Q HA 0.102 4.442 4.340 -0.000 0.000 0.220 311 Q C -0.270 175.649 176.000 -0.134 0.000 0.873 311 Q CA -0.446 55.325 55.803 -0.054 0.000 0.936 311 Q CB 0.431 29.102 28.738 -0.111 0.000 1.105 311 Q HN 0.176 nan 8.270 nan 0.000 0.520 312 F N 5.062 124.824 119.950 -0.314 0.000 2.623 312 F HA -0.019 4.508 4.527 -0.000 0.000 0.386 312 F C -1.788 173.652 175.800 -0.601 0.000 1.068 312 F CA -1.661 55.988 58.000 -0.585 0.000 1.265 312 F CB 0.751 39.265 39.000 -0.810 0.000 1.026 312 F HN -0.047 nan 8.300 nan 0.000 0.568 313 P HA 0.022 nan 4.420 nan 0.000 0.238 313 P C -1.235 175.736 177.300 -0.549 0.000 1.794 313 P CA -0.208 62.489 63.100 -0.672 0.000 1.088 313 P CB -0.511 30.816 31.700 -0.621 0.000 1.923 314 W N 1.519 122.790 121.300 -0.049 0.000 2.264 314 W HA 0.102 4.762 4.660 -0.000 0.000 0.331 314 W C 1.841 178.354 176.519 -0.009 0.000 1.364 314 W CA -0.211 57.189 57.345 0.091 0.000 1.253 314 W CB 0.602 30.125 29.460 0.105 0.000 1.215 314 W HN 0.428 nan 8.180 nan 0.000 0.561 315 E N 2.397 122.753 120.200 0.260 0.000 2.047 315 E HA -0.288 4.062 4.350 -0.000 0.000 0.191 315 E C 0.367 177.035 176.600 0.113 0.000 0.987 315 E CA 1.115 57.592 56.400 0.127 0.000 0.799 315 E CB -0.054 29.715 29.700 0.114 0.000 0.752 315 E HN 0.514 nan 8.360 nan 0.000 0.449 316 N N 1.261 120.039 118.700 0.130 0.000 2.708 316 N HA -0.180 4.560 4.740 -0.000 0.000 0.255 316 N C -1.234 174.297 175.510 0.035 0.000 1.046 316 N CA 0.763 53.838 53.050 0.042 0.000 0.715 316 N CB -1.273 37.220 38.487 0.009 0.000 0.895 316 N HN 0.258 nan 8.380 nan 0.000 0.545 317 R N 0.826 121.362 120.500 0.060 0.000 2.248 317 R HA 0.044 4.384 4.340 -0.000 0.000 0.337 317 R C 1.369 177.724 176.300 0.092 0.000 1.085 317 R CA -0.429 55.712 56.100 0.067 0.000 0.934 317 R CB 0.833 31.178 30.300 0.074 0.000 1.034 317 R HN 0.181 nan 8.270 nan 0.000 0.465 318 E N 3.537 123.789 120.200 0.086 0.000 2.070 318 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 318 E C 1.673 178.377 176.600 0.174 0.000 1.004 318 E CA 2.241 58.723 56.400 0.136 0.000 0.805 318 E CB 0.025 29.786 29.700 0.102 0.000 0.744 318 E HN 0.713 nan 8.360 nan 0.000 0.451 319 A N 0.325 123.218 122.820 0.121 0.000 1.940 319 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 319 A C 2.348 180.007 177.584 0.125 0.000 1.176 319 A CA 1.613 53.715 52.037 0.108 0.000 0.631 319 A CB -0.746 18.304 19.000 0.084 0.000 0.814 319 A HN 0.357 nan 8.150 nan 0.000 0.446 320 L N -2.213 119.095 121.223 0.142 0.000 2.056 320 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 320 L C 2.498 179.494 176.870 0.211 0.000 1.078 320 L CA 1.528 56.465 54.840 0.162 0.000 0.749 320 L CB -0.570 41.568 42.059 0.131 0.000 0.901 320 L HN 0.520 nan 8.230 nan 0.000 0.433 321 F N 1.145 121.132 119.950 0.061 0.000 2.075 321 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 321 F C 2.498 178.375 175.800 0.127 0.000 1.113 321 F CA 2.088 60.124 58.000 0.060 0.000 1.218 321 F CB -0.698 38.291 39.000 -0.017 0.000 0.984 321 F HN -0.064 nan 8.300 nan 0.000 0.472 322 T N 1.011 115.535 114.554 -0.051 0.000 2.665 322 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 322 T C 2.220 176.842 174.700 -0.129 0.000 1.035 322 T CA 1.825 63.831 62.100 -0.157 0.000 1.151 322 T CB -1.058 67.817 68.868 0.012 0.000 0.862 322 T HN 0.398 nan 8.240 nan 0.000 0.438 323 A N 0.280 123.102 122.820 0.004 0.000 1.940 323 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 323 A C 2.041 179.653 177.584 0.046 0.000 1.176 323 A CA 1.752 53.813 52.037 0.040 0.000 0.631 323 A CB -1.145 17.922 19.000 0.112 0.000 0.814 323 A HN 0.720 nan 8.150 nan 0.000 0.446 324 W N 1.531 122.751 121.300 -0.134 0.000 2.354 324 W HA -0.220 4.440 4.660 -0.000 0.000 0.315 324 W C 2.669 178.998 176.519 -0.318 0.000 1.206 324 W CA 3.092 60.360 57.345 -0.129 0.000 1.290 324 W CB -0.637 28.787 29.460 -0.061 0.000 1.152 324 W HN 0.411 nan 8.180 nan 0.000 0.489 325 T N -1.229 113.002 114.554 -0.537 0.000 2.881 325 T HA -0.231 4.118 4.350 -0.000 0.000 0.270 325 T C 1.358 175.761 174.700 -0.495 0.000 1.068 325 T CA 1.669 63.155 62.100 -1.024 0.000 1.131 325 T CB -0.458 67.598 68.868 -1.354 0.000 0.871 325 T HN 0.427 nan 8.240 nan 0.000 0.479 326 Q N 0.593 120.221 119.800 -0.286 0.000 2.220 326 Q HA 0.605 4.944 4.340 -0.000 0.000 0.205 326 Q C 1.098 177.037 176.000 -0.102 0.000 0.865 326 Q CA 0.150 55.872 55.803 -0.134 0.000 0.960 326 Q CB 0.304 28.999 28.738 -0.071 0.000 1.097 326 Q HN 0.655 nan 8.270 nan 0.000 0.493 327 A N 1.268 123.993 122.820 -0.158 0.000 2.832 327 A HA -0.199 4.121 4.320 -0.000 0.000 0.280 327 A C 0.597 178.171 177.584 -0.016 0.000 1.464 327 A CA 0.824 52.805 52.037 -0.093 0.000 0.804 327 A CB -1.265 17.704 19.000 -0.052 0.000 1.020 327 A HN 0.383 nan 8.150 nan 0.000 0.563 328 Q N -0.589 119.195 119.800 -0.027 0.000 2.211 328 Q HA 0.134 4.474 4.340 -0.000 0.000 0.301 328 Q C 1.523 177.519 176.000 -0.007 0.000 0.884 328 Q CA 0.727 56.506 55.803 -0.040 0.000 1.115 328 Q CB 0.101 28.820 28.738 -0.031 0.000 1.217 328 Q HN 1.056 nan 8.270 nan 0.000 0.451 329 T N -4.182 110.405 114.554 0.056 0.000 3.014 329 T HA 0.104 4.454 4.350 -0.000 0.000 0.263 329 T C 1.443 176.278 174.700 0.225 0.000 1.078 329 T CA 1.113 63.334 62.100 0.201 0.000 1.135 329 T CB 0.226 69.228 68.868 0.224 0.000 0.895 329 T HN 0.437 nan 8.240 nan 0.000 0.480 330 G N 0.254 109.062 108.800 0.013 0.000 2.175 330 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 330 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 330 G C -0.217 174.727 174.900 0.072 0.000 0.982 330 G CA -0.018 45.015 45.100 -0.112 0.000 0.641 330 G HN 0.599 nan 8.290 nan 0.000 0.527 331 Y N 0.663 121.006 120.300 0.071 0.000 2.491 331 Y HA 0.455 5.005 4.550 -0.000 0.000 0.334 331 Y C -0.879 175.075 175.900 0.090 0.000 0.969 331 Y CA -2.015 56.112 58.100 0.045 0.000 1.241 331 Y CB 1.585 39.947 38.460 -0.163 0.000 1.105 331 Y HN -0.022 nan 8.280 nan 0.000 0.503 332 P HA -0.316 nan 4.420 nan 0.000 0.218 332 P C 1.882 179.264 177.300 0.137 0.000 1.165 332 P CA 1.612 64.800 63.100 0.146 0.000 0.922 332 P CB 0.292 32.008 31.700 0.027 0.000 0.794 333 I N -1.166 119.489 120.570 0.142 0.000 2.335 333 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 333 I C 1.857 178.055 176.117 0.135 0.000 1.129 333 I CA 1.588 62.987 61.300 0.165 0.000 1.402 333 I CB -0.577 37.508 38.000 0.142 0.000 1.069 333 I HN -0.217 nan 8.210 nan 0.000 0.424 334 V N 0.359 120.303 119.914 0.051 0.000 2.346 334 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 334 V C 2.101 178.178 176.094 -0.030 0.000 1.037 334 V CA 1.913 64.183 62.300 -0.049 0.000 1.029 334 V CB -0.814 30.799 31.823 -0.350 0.000 0.663 334 V HN 0.348 nan 8.190 nan 0.000 0.454 335 D N 0.671 121.091 120.400 0.032 0.000 2.178 335 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 335 D C 2.206 178.532 176.300 0.043 0.000 0.974 335 D CA 1.500 55.528 54.000 0.046 0.000 0.841 335 D CB -0.193 40.723 40.800 0.192 0.000 0.953 335 D HN 0.423 nan 8.370 nan 0.000 0.478 336 A N 1.111 123.979 122.820 0.081 0.000 1.933 336 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 336 A C 2.304 179.866 177.584 -0.036 0.000 1.175 336 A CA 2.003 54.077 52.037 0.061 0.000 0.628 336 A CB -0.512 18.537 19.000 0.082 0.000 0.814 336 A HN 0.236 nan 8.150 nan 0.000 0.444 337 A N -0.944 121.924 122.820 0.079 0.000 1.872 337 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 337 A C 2.107 179.606 177.584 -0.143 0.000 1.187 337 A CA 1.767 53.826 52.037 0.036 0.000 0.614 337 A CB -0.435 18.622 19.000 0.095 0.000 0.826 337 A HN 0.394 nan 8.150 nan 0.000 0.442 338 M N -0.512 118.995 119.600 -0.156 0.000 2.296 338 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 338 M C 2.048 178.232 176.300 -0.194 0.000 1.064 338 M CA 1.069 56.229 55.300 -0.234 0.000 1.109 338 M CB -1.155 31.221 32.600 -0.373 0.000 1.396 338 M HN 0.335 nan 8.290 nan 0.000 0.430 339 R N -0.031 120.376 120.500 -0.155 0.000 2.073 339 R HA -0.115 4.224 4.340 -0.000 0.000 0.229 339 R C 2.086 178.246 176.300 -0.234 0.000 1.120 339 R CA 1.085 57.125 56.100 -0.101 0.000 0.967 339 R CB -0.542 29.777 30.300 0.031 0.000 0.862 339 R HN 0.562 nan 8.270 nan 0.000 0.436 340 Q N 0.790 120.253 119.800 -0.562 0.000 2.124 340 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 340 Q C 2.065 177.790 176.000 -0.458 0.000 0.977 340 Q CA 1.327 56.503 55.803 -1.046 0.000 0.850 340 Q CB -0.053 27.852 28.738 -1.388 0.000 0.901 340 Q HN 0.153 nan 8.270 nan 0.000 0.429 341 L N 0.707 121.738 121.223 -0.321 0.000 1.988 341 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 341 L C 2.497 179.297 176.870 -0.117 0.000 1.071 341 L CA 2.740 57.440 54.840 -0.233 0.000 0.744 341 L CB -1.191 40.686 42.059 -0.302 0.000 0.893 341 L HN 0.452 nan 8.230 nan 0.000 0.433 342 T N -3.894 110.575 114.554 -0.142 0.000 2.915 342 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 342 T C 1.651 176.421 174.700 0.116 0.000 1.071 342 T CA 1.462 63.519 62.100 -0.070 0.000 1.132 342 T CB -0.446 68.342 68.868 -0.132 0.000 0.878 342 T HN 0.538 nan 8.240 nan 0.000 0.479 343 E N 0.861 121.095 120.200 0.055 0.000 2.140 343 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 343 E C 2.171 178.835 176.600 0.107 0.000 0.973 343 E CA 1.385 57.825 56.400 0.067 0.000 0.829 343 E CB 0.211 29.972 29.700 0.103 0.000 0.781 343 E HN 0.778 nan 8.360 nan 0.000 0.466 344 T N -3.994 110.676 114.554 0.193 0.000 3.040 344 T HA 0.293 4.643 4.350 -0.000 0.000 0.266 344 T C 1.385 176.377 174.700 0.487 0.000 1.005 344 T CA 0.380 62.669 62.100 0.315 0.000 0.906 344 T CB 1.002 70.001 68.868 0.217 0.000 1.082 344 T HN 0.202 nan 8.240 nan 0.000 0.531 345 G N 0.615 109.636 108.800 0.368 0.000 2.153 345 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 345 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 345 G C -0.262 174.709 174.900 0.119 0.000 0.994 345 G CA 0.275 45.429 45.100 0.090 0.000 0.698 345 G HN 0.755 nan 8.290 nan 0.000 0.521 346 W N -0.792 120.448 121.300 -0.100 0.000 3.137 346 W HA 0.769 5.428 4.660 -0.000 0.000 0.324 346 W C -0.888 175.522 176.519 -0.181 0.000 1.253 346 W CA -1.186 56.080 57.345 -0.132 0.000 1.183 346 W CB 1.201 30.634 29.460 -0.044 0.000 1.424 346 W HN 0.239 nan 8.180 nan 0.000 0.566 347 M N 4.455 123.561 119.600 -0.822 0.000 2.322 347 M HA 0.239 4.719 4.480 -0.000 0.000 0.286 347 M C -1.353 174.220 176.300 -1.212 0.000 1.111 347 M CA -0.816 54.051 55.300 -0.722 0.000 0.941 347 M CB 1.622 33.894 32.600 -0.547 0.000 1.671 347 M HN 0.680 nan 8.290 nan 0.000 0.470 348 H N 3.686 122.243 119.070 -0.855 0.000 3.001 348 H HA 0.020 4.576 4.556 -0.000 0.000 0.334 348 H C 1.035 176.026 175.328 -0.561 0.000 1.034 348 H CA 1.691 57.328 56.048 -0.686 0.000 1.420 348 H CB 0.727 30.327 29.762 -0.269 0.000 1.405 348 H HN 0.795 nan 8.280 nan 0.000 0.593 349 N N 3.369 121.563 118.700 -0.844 0.000 2.060 349 N HA -0.295 4.445 4.740 -0.000 0.000 0.195 349 N C 1.960 177.235 175.510 -0.392 0.000 1.028 349 N CA 1.574 54.281 53.050 -0.573 0.000 0.861 349 N CB -0.010 38.166 38.487 -0.520 0.000 1.029 349 N HN 0.625 nan 8.380 nan 0.000 0.428 350 R N 1.099 121.451 120.500 -0.245 0.000 2.105 350 R HA -0.029 4.311 4.340 -0.000 0.000 0.239 350 R C 2.373 178.564 176.300 -0.181 0.000 1.135 350 R CA 1.687 57.637 56.100 -0.250 0.000 0.967 350 R CB -1.187 28.930 30.300 -0.305 0.000 0.861 350 R HN 0.374 nan 8.270 nan 0.000 0.442 351 C N 0.121 119.338 119.300 -0.139 0.000 2.435 351 C HA 0.095 4.555 4.460 -0.000 0.000 0.279 351 C C 2.457 177.426 174.990 -0.037 0.000 1.321 351 C CA 0.664 59.621 59.018 -0.101 0.000 1.752 351 C CB -0.833 26.825 27.740 -0.137 0.000 1.959 351 C HN 0.513 nan 8.230 nan 0.000 0.500 352 R N 0.439 120.871 120.500 -0.114 0.000 2.096 352 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 352 R C 2.173 178.401 176.300 -0.121 0.000 1.127 352 R CA 1.361 57.452 56.100 -0.015 0.000 0.968 352 R CB -0.335 29.898 30.300 -0.113 0.000 0.861 352 R HN 0.563 nan 8.270 nan 0.000 0.440 353 M N 0.174 119.651 119.600 -0.204 0.000 2.132 353 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 353 M C 2.263 178.714 176.300 0.252 0.000 1.065 353 M CA 1.650 56.858 55.300 -0.153 0.000 1.122 353 M CB -0.246 32.213 32.600 -0.235 0.000 1.365 353 M HN 0.103 nan 8.290 nan 0.000 0.411 354 I N -0.055 120.669 120.570 0.257 0.000 2.142 354 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 354 I C 2.419 178.735 176.117 0.332 0.000 1.078 354 I CA 1.420 62.939 61.300 0.364 0.000 1.343 354 I CB -0.501 37.619 38.000 0.201 0.000 1.046 354 I HN 0.219 nan 8.210 nan 0.000 0.405 355 V N -0.899 119.191 119.914 0.293 0.000 2.515 355 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 355 V C 2.482 178.884 176.094 0.513 0.000 1.058 355 V CA 1.484 64.079 62.300 0.492 0.000 1.064 355 V CB -1.219 30.917 31.823 0.521 0.000 0.675 355 V HN 0.320 nan 8.190 nan 0.000 0.461 356 A N 0.449 123.328 122.820 0.099 0.000 1.872 356 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 356 A C 2.570 180.093 177.584 -0.101 0.000 1.187 356 A CA 2.106 53.923 52.037 -0.365 0.000 0.614 356 A CB -1.027 17.318 19.000 -1.092 0.000 0.826 356 A HN 0.604 nan 8.150 nan 0.000 0.442 357 S N -1.426 114.245 115.700 -0.048 0.000 2.368 357 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 357 S C 1.784 176.367 174.600 -0.028 0.000 1.030 357 S CA 1.673 59.766 58.200 -0.178 0.000 0.999 357 S CB -0.554 62.479 63.200 -0.279 0.000 0.844 357 S HN 0.535 nan 8.310 nan 0.000 0.459 358 F N 1.841 121.801 119.950 0.017 0.000 2.069 358 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 358 F C 1.944 177.715 175.800 -0.048 0.000 1.113 358 F CA 1.776 59.787 58.000 0.018 0.000 1.214 358 F CB -0.715 38.352 39.000 0.111 0.000 0.978 358 F HN 0.311 nan 8.300 nan 0.000 0.474 359 L N -0.076 121.147 121.223 -0.001 0.000 2.042 359 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 359 L C 2.196 178.950 176.870 -0.192 0.000 1.076 359 L CA 2.582 57.222 54.840 -0.332 0.000 0.749 359 L CB -1.222 40.411 42.059 -0.709 0.000 0.893 359 L HN 0.226 nan 8.230 nan 0.000 0.432 360 T N -0.712 113.798 114.554 -0.074 0.000 2.809 360 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 360 T C 1.831 176.555 174.700 0.041 0.000 1.039 360 T CA 1.070 63.204 62.100 0.056 0.000 1.141 360 T CB 0.007 68.911 68.868 0.059 0.000 0.869 360 T HN 0.204 nan 8.240 nan 0.000 0.437 361 K N 1.215 121.447 120.400 -0.280 0.000 2.098 361 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 361 K C 1.778 178.228 176.600 -0.251 0.000 1.051 361 K CA 1.153 57.100 56.287 -0.565 0.000 0.957 361 K CB -0.368 31.770 32.500 -0.603 0.000 0.738 361 K HN 0.307 nan 8.250 nan 0.000 0.447 362 D N 0.785 121.002 120.400 -0.305 0.000 2.144 362 D HA 0.040 4.680 4.640 -0.000 0.000 0.207 362 D C 1.891 178.007 176.300 -0.306 0.000 0.970 362 D CA 0.639 54.416 54.000 -0.372 0.000 0.853 362 D CB 0.106 40.382 40.800 -0.873 0.000 1.007 362 D HN -0.038 nan 8.370 nan 0.000 0.469 363 L N 0.459 121.447 121.223 -0.393 0.000 2.418 363 L HA 0.170 4.510 4.340 -0.000 0.000 0.218 363 L C 0.377 177.267 176.870 0.033 0.000 1.125 363 L CA 0.142 54.879 54.840 -0.173 0.000 0.835 363 L CB -0.187 41.760 42.059 -0.188 0.000 0.953 363 L HN 0.136 nan 8.230 nan 0.000 0.454 364 I N 0.743 121.401 120.570 0.147 0.000 6.521 364 I HA -0.251 3.919 4.170 -0.000 0.000 0.126 364 I C -0.442 175.935 176.117 0.433 0.000 1.822 364 I CA 0.302 61.878 61.300 0.460 0.000 2.063 364 I CB -1.520 36.749 38.000 0.448 0.000 3.493 364 I HN 0.096 nan 8.210 nan 0.000 0.177 365 I N 1.372 122.028 120.570 0.144 0.000 2.392 365 I HA 0.218 4.388 4.170 -0.000 0.000 0.295 365 I C 0.938 176.701 176.117 -0.590 0.000 0.985 365 I CA -0.161 61.072 61.300 -0.111 0.000 1.221 365 I CB 1.220 39.097 38.000 -0.206 0.000 1.366 365 I HN 0.105 nan 8.210 nan 0.000 0.467 366 D N 7.036 126.887 120.400 -0.916 0.000 2.662 366 D HA -0.170 4.470 4.640 -0.000 0.000 0.237 366 D C 1.412 177.004 176.300 -1.181 0.000 1.154 366 D CA 0.100 53.043 54.000 -1.763 0.000 0.861 366 D CB 0.596 40.749 40.800 -1.077 0.000 1.146 366 D HN 0.611 nan 8.370 nan 0.000 0.518 367 W N 4.674 125.317 121.300 -1.095 0.000 2.480 367 W HA -0.124 4.536 4.660 -0.000 0.000 0.257 367 W C 1.229 177.289 176.519 -0.765 0.000 1.235 367 W CA -0.363 56.563 57.345 -0.698 0.000 1.218 367 W CB -0.581 28.721 29.460 -0.262 0.000 1.131 367 W HN 0.385 nan 8.180 nan 0.000 0.606 368 R N 0.557 120.570 120.500 -0.811 0.000 2.120 368 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 368 R C 2.457 178.451 176.300 -0.510 0.000 1.123 368 R CA 1.252 56.980 56.100 -0.620 0.000 0.975 368 R CB -0.210 29.685 30.300 -0.676 0.000 0.866 368 R HN 0.000 nan 8.270 nan 0.000 0.446 369 R N -0.444 119.695 120.500 -0.602 0.000 2.096 369 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 369 R C 2.181 178.270 176.300 -0.352 0.000 1.127 369 R CA 1.487 57.231 56.100 -0.594 0.000 0.968 369 R CB -0.837 28.836 30.300 -1.044 0.000 0.861 369 R HN 0.347 nan 8.270 nan 0.000 0.440 370 G N 0.786 109.212 108.800 -0.623 0.000 2.396 370 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.214 370 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.214 370 G C 1.374 175.689 174.900 -0.976 0.000 1.166 370 G CA 0.447 45.080 45.100 -0.778 0.000 0.793 370 G HN 0.416 nan 8.290 nan 0.000 0.533 371 E N 0.150 119.499 120.200 -1.420 0.000 2.085 371 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 371 E C 2.318 178.806 176.600 -0.187 0.000 0.994 371 E CA 1.511 57.349 56.400 -0.936 0.000 0.801 371 E CB -0.208 29.238 29.700 -0.423 0.000 0.743 371 E HN 0.634 nan 8.360 nan 0.000 0.453 372 Q N -0.617 119.111 119.800 -0.120 0.000 2.119 372 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 372 Q C 2.009 178.140 176.000 0.219 0.000 0.972 372 Q CA 1.293 57.122 55.803 0.043 0.000 0.847 372 Q CB -0.228 28.514 28.738 0.006 0.000 0.903 372 Q HN 0.369 nan 8.270 nan 0.000 0.433 373 F N 0.013 120.110 119.950 0.244 0.000 2.186 373 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 373 F C 1.462 177.604 175.800 0.571 0.000 1.090 373 F CA 0.983 59.266 58.000 0.471 0.000 1.307 373 F CB -0.129 39.278 39.000 0.678 0.000 1.019 373 F HN 0.107 nan 8.300 nan 0.000 0.489 374 F N -0.217 119.914 119.950 0.301 0.000 2.146 374 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 374 F C 2.356 178.188 175.800 0.054 0.000 1.096 374 F CA 1.110 59.242 58.000 0.220 0.000 1.275 374 F CB -0.934 38.317 39.000 0.420 0.000 1.008 374 F HN -0.062 nan 8.300 nan 0.000 0.480 375 M N -0.365 119.375 119.600 0.233 0.000 2.213 375 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 375 M C 1.759 178.037 176.300 -0.037 0.000 1.062 375 M CA 1.431 56.776 55.300 0.075 0.000 1.105 375 M CB -1.307 31.328 32.600 0.059 0.000 1.385 375 M HN 0.271 nan 8.290 nan 0.000 0.417 376 Q N -1.578 118.168 119.800 -0.090 0.000 2.482 376 Q HA -0.070 4.270 4.340 -0.000 0.000 0.209 376 Q C 0.984 176.608 176.000 -0.627 0.000 0.961 376 Q CA 0.606 56.232 55.803 -0.295 0.000 0.945 376 Q CB 0.277 28.843 28.738 -0.286 0.000 1.012 376 Q HN 0.627 nan 8.270 nan 0.000 0.515 377 H N -1.594 117.321 119.070 -0.258 0.000 3.734 377 H HA 0.207 4.763 4.556 -0.000 0.000 0.253 377 H C 0.030 175.194 175.328 -0.274 0.000 1.072 377 H CA -0.121 55.749 56.048 -0.296 0.000 1.147 377 H CB 0.937 30.446 29.762 -0.421 0.000 1.495 377 H HN 0.067 nan 8.280 nan 0.000 0.588 378 L N 1.897 123.038 121.223 -0.137 0.000 2.410 378 L HA 0.018 4.358 4.340 -0.000 0.000 0.273 378 L C 1.737 178.531 176.870 -0.125 0.000 1.144 378 L CA -0.025 54.722 54.840 -0.154 0.000 0.863 378 L CB 1.802 43.765 42.059 -0.159 0.000 1.140 378 L HN -0.012 nan 8.230 nan 0.000 0.463 379 V N 2.472 122.329 119.914 -0.096 0.000 2.913 379 V HA -0.170 3.950 4.120 -0.000 0.000 0.260 379 V C 1.262 177.336 176.094 -0.033 0.000 1.098 379 V CA 2.113 64.373 62.300 -0.066 0.000 1.121 379 V CB -0.337 31.483 31.823 -0.006 0.000 0.714 379 V HN 1.062 nan 8.190 nan 0.000 0.487 380 D N -0.631 119.742 120.400 -0.045 0.000 2.440 380 D HA 0.192 4.832 4.640 -0.000 0.000 0.216 380 D C 1.074 177.304 176.300 -0.116 0.000 1.150 380 D CA 0.249 54.196 54.000 -0.089 0.000 0.832 380 D CB -0.473 40.308 40.800 -0.031 0.000 0.992 380 D HN 0.327 nan 8.370 nan 0.000 0.502 381 G N 0.822 109.567 108.800 -0.091 0.000 2.113 381 G HA2 0.152 4.112 3.960 -0.000 0.000 0.263 381 G HA3 0.152 4.112 3.960 -0.000 0.000 0.263 381 G C -0.660 174.183 174.900 -0.095 0.000 0.954 381 G CA 0.156 45.218 45.100 -0.063 0.000 0.996 381 G HN 0.337 nan 8.290 nan 0.000 0.381 382 D N 1.892 122.249 120.400 -0.071 0.000 2.620 382 D HA 0.245 4.885 4.640 -0.000 0.000 0.252 382 D C 1.142 177.416 176.300 -0.043 0.000 1.207 382 D CA -0.851 53.099 54.000 -0.083 0.000 0.884 382 D CB 1.278 42.014 40.800 -0.107 0.000 1.262 382 D HN 0.101 nan 8.370 nan 0.000 0.552 383 L N 4.766 125.976 121.223 -0.021 0.000 1.978 383 L HA -0.109 4.231 4.340 -0.000 0.000 0.218 383 L C 2.040 178.899 176.870 -0.019 0.000 1.075 383 L CA 2.805 57.647 54.840 0.004 0.000 0.767 383 L CB -0.863 41.211 42.059 0.025 0.000 0.890 383 L HN 0.635 nan 8.230 nan 0.000 0.434 384 A N -0.811 121.995 122.820 -0.022 0.000 1.865 384 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 384 A C 2.415 179.900 177.584 -0.164 0.000 1.191 384 A CA 2.518 54.531 52.037 -0.041 0.000 0.623 384 A CB -1.324 17.685 19.000 0.015 0.000 0.826 384 A HN 0.640 nan 8.150 nan 0.000 0.444 385 A N -0.404 122.309 122.820 -0.178 0.000 1.897 385 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 385 A C 1.983 179.356 177.584 -0.352 0.000 1.181 385 A CA 1.946 53.784 52.037 -0.331 0.000 0.620 385 A CB -0.699 18.163 19.000 -0.229 0.000 0.821 385 A HN 0.609 nan 8.150 nan 0.000 0.443 386 N N 0.491 119.104 118.700 -0.145 0.000 2.084 386 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 386 N C 1.753 177.288 175.510 0.042 0.000 1.030 386 N CA 1.764 54.827 53.050 0.023 0.000 0.849 386 N CB -0.356 38.221 38.487 0.150 0.000 1.012 386 N HN 0.525 nan 8.380 nan 0.000 0.423 387 N N -0.257 118.425 118.700 -0.029 0.000 2.188 387 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 387 N C 1.686 177.039 175.510 -0.262 0.000 1.018 387 N CA 1.318 54.346 53.050 -0.037 0.000 0.858 387 N CB -0.376 38.126 38.487 0.025 0.000 0.989 387 N HN 0.381 nan 8.380 nan 0.000 0.426 388 G N -0.071 108.444 108.800 -0.475 0.000 2.402 388 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 388 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 388 G C 1.525 175.956 174.900 -0.782 0.000 1.162 388 G CA 0.943 45.518 45.100 -0.875 0.000 0.777 388 G HN 0.442 nan 8.290 nan 0.000 0.539 389 G N -0.204 108.167 108.800 -0.715 0.000 2.408 389 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 389 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 389 G C 1.571 176.130 174.900 -0.568 0.000 1.150 389 G CA 0.658 45.366 45.100 -0.653 0.000 0.776 389 G HN 0.499 nan 8.290 nan 0.000 0.542 390 W N 0.552 121.533 121.300 -0.532 0.000 2.453 390 W HA 0.133 4.793 4.660 -0.000 0.000 0.289 390 W C 2.944 178.667 176.519 -1.327 0.000 1.215 390 W CA 0.544 57.398 57.345 -0.817 0.000 1.297 390 W CB 0.099 29.068 29.460 -0.819 0.000 1.113 390 W HN 0.111 nan 8.180 nan 0.000 0.551 391 Q N -0.771 118.454 119.800 -0.958 0.000 2.170 391 Q HA -0.241 4.099 4.340 -0.000 0.000 0.203 391 Q C 1.890 177.574 176.000 -0.527 0.000 0.976 391 Q CA 1.748 57.082 55.803 -0.781 0.000 0.858 391 Q CB -1.077 27.470 28.738 -0.318 0.000 0.907 391 Q HN 0.566 nan 8.270 nan 0.000 0.433 392 W N 2.086 123.060 121.300 -0.544 0.000 2.338 392 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 392 W C 2.259 178.488 176.519 -0.483 0.000 1.212 392 W CA 2.167 59.267 57.345 -0.409 0.000 1.264 392 W CB -0.332 28.912 29.460 -0.360 0.000 1.142 392 W HN 0.143 nan 8.180 nan 0.000 0.512 393 S N 0.137 115.421 115.700 -0.693 0.000 2.584 393 S HA 0.048 4.518 4.470 -0.000 0.000 0.240 393 S C 1.272 175.333 174.600 -0.898 0.000 0.975 393 S CA 1.013 58.610 58.200 -1.005 0.000 0.949 393 S CB -0.443 62.437 63.200 -0.533 0.000 0.761 393 S HN 0.474 nan 8.310 nan 0.000 0.536 394 A N -0.529 121.772 122.820 -0.865 0.000 2.701 394 A HA 0.661 4.981 4.320 -0.000 0.000 0.241 394 A C 0.887 177.856 177.584 -1.026 0.000 1.231 394 A CA 0.255 51.725 52.037 -0.945 0.000 1.003 394 A CB -0.229 18.248 19.000 -0.872 0.000 1.281 394 A HN 0.645 nan 8.150 nan 0.000 0.600 395 S N 0.342 115.619 115.700 -0.704 0.000 3.581 395 S HA -0.192 4.278 4.470 -0.000 0.000 0.354 395 S C 1.123 175.503 174.600 -0.367 0.000 1.059 395 S CA 1.085 59.048 58.200 -0.394 0.000 1.060 395 S CB -1.716 61.355 63.200 -0.214 0.000 0.908 395 S HN 1.542 nan 8.310 nan 0.000 0.475 396 S N -1.148 114.246 115.700 -0.510 0.000 2.556 396 S HA 0.500 4.970 4.470 -0.000 0.000 0.216 396 S C 1.040 175.732 174.600 0.154 0.000 0.970 396 S CA 0.267 58.307 58.200 -0.267 0.000 0.912 396 S CB 0.851 63.950 63.200 -0.168 0.000 0.790 396 S HN 0.841 nan 8.310 nan 0.000 0.504 397 G N 1.317 110.168 108.800 0.086 0.000 3.359 397 G HA2 0.506 4.466 3.960 -0.000 0.000 0.187 397 G HA3 0.506 4.466 3.960 -0.000 0.000 0.187 397 G C -0.291 174.675 174.900 0.110 0.000 1.294 397 G CA -0.712 44.473 45.100 0.141 0.000 0.769 397 G HN 0.188 nan 8.290 nan 0.000 0.733 398 M N 1.025 120.669 119.600 0.073 0.000 2.198 398 M HA 0.212 4.692 4.480 -0.000 0.000 0.315 398 M C 0.278 176.756 176.300 0.297 0.000 1.134 398 M CA 0.138 55.551 55.300 0.188 0.000 1.171 398 M CB 0.254 33.008 32.600 0.256 0.000 1.413 398 M HN 0.658 nan 8.290 nan 0.000 0.467 399 D N 1.639 122.247 120.400 0.347 0.000 2.755 399 D HA -0.113 4.526 4.640 -0.000 0.000 0.227 399 D C -2.134 174.278 176.300 0.187 0.000 1.211 399 D CA 0.124 54.280 54.000 0.261 0.000 0.663 399 D CB -0.424 40.518 40.800 0.237 0.000 0.983 399 D HN 0.276 nan 8.370 nan 0.000 0.407 400 P HA 0.154 nan 4.420 nan 0.000 0.272 400 P C -0.375 176.975 177.300 0.083 0.000 1.223 400 P CA -0.039 63.124 63.100 0.104 0.000 0.784 400 P CB 0.900 32.684 31.700 0.140 0.000 0.923 401 K N 1.735 122.155 120.400 0.033 0.000 2.443 401 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 401 K C -2.482 174.128 176.600 0.018 0.000 0.972 401 K CA -2.195 54.108 56.287 0.026 0.000 0.833 401 K CB 0.160 32.661 32.500 0.003 0.000 1.317 401 K HN 0.260 nan 8.250 nan 0.000 0.441 402 P HA -0.010 nan 4.420 nan 0.000 0.266 402 P C -0.259 177.029 177.300 -0.020 0.000 1.193 402 P CA -0.512 62.610 63.100 0.037 0.000 0.770 402 P CB 0.299 32.024 31.700 0.043 0.000 0.836 403 L N 3.303 124.505 121.223 -0.035 0.000 2.593 403 L HA 0.064 4.404 4.340 -0.000 0.000 0.287 403 L C 0.421 177.221 176.870 -0.116 0.000 1.243 403 L CA 1.202 55.955 54.840 -0.146 0.000 0.890 403 L CB -0.354 41.512 42.059 -0.322 0.000 1.134 403 L HN 0.397 nan 8.230 nan 0.000 0.502 404 R N 5.020 125.415 120.500 -0.175 0.000 2.643 404 R HA 0.624 4.964 4.340 -0.000 0.000 0.269 404 R C -1.861 174.314 176.300 -0.209 0.000 1.037 404 R CA -0.750 55.273 56.100 -0.127 0.000 0.894 404 R CB 1.191 31.441 30.300 -0.085 0.000 1.238 404 R HN 0.728 nan 8.270 nan 0.000 0.459 405 I N 3.840 124.360 120.570 -0.082 0.000 2.478 405 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 405 I C -0.579 175.654 176.117 0.193 0.000 1.042 405 I CA -0.847 60.401 61.300 -0.086 0.000 1.067 405 I CB 1.528 39.472 38.000 -0.093 0.000 1.233 405 I HN 0.399 nan 8.210 nan 0.000 0.431 406 F N 4.299 124.245 119.950 -0.005 0.000 2.506 406 F HA 0.148 4.675 4.527 -0.000 0.000 0.351 406 F C 0.909 176.770 175.800 0.102 0.000 1.136 406 F CA -0.401 57.638 58.000 0.066 0.000 1.298 406 F CB 0.304 39.354 39.000 0.082 0.000 1.145 406 F HN 0.438 nan 8.300 nan 0.000 0.593 407 N N 4.630 123.453 118.700 0.205 0.000 2.511 407 N HA 0.250 4.990 4.740 -0.000 0.000 0.249 407 N C -2.117 173.374 175.510 -0.032 0.000 0.971 407 N CA -2.024 51.006 53.050 -0.034 0.000 0.938 407 N CB 1.695 40.218 38.487 0.059 0.000 1.131 407 N HN 0.065 nan 8.380 nan 0.000 0.505 408 P HA -0.214 nan 4.420 nan 0.000 0.220 408 P C 0.903 178.247 177.300 0.073 0.000 1.155 408 P CA 1.764 64.921 63.100 0.094 0.000 0.880 408 P CB 0.332 32.149 31.700 0.195 0.000 0.790 409 A N -1.064 121.785 122.820 0.049 0.000 1.902 409 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 409 A C 2.322 179.913 177.584 0.012 0.000 1.181 409 A CA 2.230 54.292 52.037 0.042 0.000 0.623 409 A CB -1.417 17.608 19.000 0.042 0.000 0.818 409 A HN 0.171 nan 8.150 nan 0.000 0.443 410 S N -0.196 115.500 115.700 -0.007 0.000 2.355 410 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 410 S C 2.135 176.688 174.600 -0.078 0.000 1.031 410 S CA 1.290 59.466 58.200 -0.040 0.000 0.993 410 S CB -0.338 62.841 63.200 -0.036 0.000 0.859 410 S HN 0.591 nan 8.310 nan 0.000 0.453 411 Q N 1.239 121.003 119.800 -0.060 0.000 2.050 411 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 411 Q C 2.601 178.645 176.000 0.073 0.000 0.980 411 Q CA 1.584 57.388 55.803 0.001 0.000 0.840 411 Q CB -0.789 27.940 28.738 -0.016 0.000 0.898 411 Q HN 0.574 nan 8.270 nan 0.000 0.424 412 A N 1.581 124.438 122.820 0.061 0.000 1.883 412 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 412 A C 2.147 179.752 177.584 0.034 0.000 1.186 412 A CA 1.994 54.078 52.037 0.077 0.000 0.624 412 A CB -0.543 18.503 19.000 0.077 0.000 0.822 412 A HN 0.330 nan 8.150 nan 0.000 0.444 413 K N -0.293 120.100 120.400 -0.012 0.000 2.097 413 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 413 K C 2.169 178.707 176.600 -0.104 0.000 1.049 413 K CA 1.782 58.043 56.287 -0.044 0.000 0.933 413 K CB -0.166 32.306 32.500 -0.046 0.000 0.717 413 K HN 0.458 nan 8.250 nan 0.000 0.442 414 K N -0.641 119.631 120.400 -0.213 0.000 2.062 414 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 414 K C 1.023 177.325 176.600 -0.497 0.000 1.051 414 K CA 1.143 57.155 56.287 -0.459 0.000 0.941 414 K CB 0.109 32.130 32.500 -0.797 0.000 0.719 414 K HN 0.100 nan 8.250 nan 0.000 0.440 415 F N -0.467 119.533 119.950 0.082 0.000 2.678 415 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 415 F C 0.116 176.027 175.800 0.186 0.000 1.090 415 F CA -0.320 57.794 58.000 0.190 0.000 1.272 415 F CB 0.751 39.760 39.000 0.015 0.000 1.060 415 F HN -0.045 nan 8.300 nan 0.000 0.576 416 D N -0.480 120.033 120.400 0.189 0.000 3.118 416 D HA 0.355 4.995 4.640 -0.000 0.000 0.352 416 D C 1.427 177.755 176.300 0.047 0.000 1.498 416 D CA 0.307 54.380 54.000 0.121 0.000 0.759 416 D CB 0.128 41.016 40.800 0.146 0.000 1.251 416 D HN 0.017 nan 8.370 nan 0.000 0.504 417 A N -0.443 122.375 122.820 -0.003 0.000 2.009 417 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 417 A C 2.001 179.567 177.584 -0.030 0.000 1.175 417 A CA 2.444 54.459 52.037 -0.035 0.000 0.651 417 A CB -0.692 18.264 19.000 -0.074 0.000 0.815 417 A HN 0.450 nan 8.150 nan 0.000 0.459 418 T N -5.022 109.513 114.554 -0.033 0.000 3.069 418 T HA 0.512 4.862 4.350 -0.000 0.000 0.252 418 T C 0.881 175.573 174.700 -0.013 0.000 1.053 418 T CA 0.962 63.043 62.100 -0.032 0.000 0.964 418 T CB 0.061 68.899 68.868 -0.050 0.000 1.005 418 T HN 1.854 nan 8.240 nan 0.000 0.532 419 A N 0.677 123.507 122.820 0.016 0.000 2.872 419 A HA -0.235 4.085 4.320 -0.000 0.000 0.273 419 A C 1.503 179.109 177.584 0.037 0.000 1.442 419 A CA 1.329 53.389 52.037 0.038 0.000 0.801 419 A CB -2.767 16.235 19.000 0.003 0.000 1.031 419 A HN 0.560 nan 8.150 nan 0.000 0.582 420 T N -1.715 112.868 114.554 0.048 0.000 2.777 420 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 420 T C 1.505 176.254 174.700 0.081 0.000 1.040 420 T CA 1.894 64.015 62.100 0.035 0.000 1.141 420 T CB -0.259 68.626 68.868 0.028 0.000 0.868 420 T HN 0.796 nan 8.240 nan 0.000 0.444 421 Y N 1.508 121.836 120.300 0.046 0.000 2.242 421 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 421 Y C 1.958 177.958 175.900 0.167 0.000 1.137 421 Y CA 0.834 59.014 58.100 0.133 0.000 1.181 421 Y CB -0.410 38.148 38.460 0.163 0.000 0.989 421 Y HN 0.158 nan 8.280 nan 0.000 0.527 422 I N 0.235 120.915 120.570 0.183 0.000 2.202 422 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 422 I C 2.242 178.324 176.117 -0.057 0.000 1.091 422 I CA 1.642 62.982 61.300 0.067 0.000 1.368 422 I CB -0.408 37.640 38.000 0.079 0.000 1.058 422 I HN 0.145 nan 8.210 nan 0.000 0.410 423 K N 0.339 120.694 120.400 -0.075 0.000 2.148 423 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 423 K C 2.236 178.727 176.600 -0.183 0.000 1.050 423 K CA 0.901 57.116 56.287 -0.120 0.000 0.942 423 K CB -0.180 32.256 32.500 -0.105 0.000 0.724 423 K HN 0.232 nan 8.250 nan 0.000 0.446 424 R N 0.077 120.425 120.500 -0.254 0.000 2.081 424 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 424 R C 1.164 177.051 176.300 -0.688 0.000 1.131 424 R CA 1.678 57.488 56.100 -0.484 0.000 0.960 424 R CB -0.080 29.873 30.300 -0.578 0.000 0.856 424 R HN 0.272 nan 8.270 nan 0.000 0.436 425 W N -0.135 120.998 121.300 -0.279 0.000 3.211 425 W HA 0.271 4.931 4.660 -0.000 0.000 0.292 425 W C -0.011 176.412 176.519 -0.160 0.000 1.268 425 W CA -0.328 56.872 57.345 -0.242 0.000 1.702 425 W CB 0.618 29.860 29.460 -0.364 0.000 1.092 425 W HN -0.060 nan 8.180 nan 0.000 0.643 426 L N 2.540 123.747 121.223 -0.027 0.000 2.637 426 L HA 0.240 4.580 4.340 -0.000 0.000 0.241 426 L C -1.372 175.444 176.870 -0.090 0.000 1.398 426 L CA -1.278 53.533 54.840 -0.049 0.000 0.895 426 L CB 0.976 42.969 42.059 -0.109 0.000 1.183 426 L HN -0.279 nan 8.230 nan 0.000 0.497 427 P HA -0.206 nan 4.420 nan 0.000 0.222 427 P C 0.954 178.237 177.300 -0.029 0.000 1.147 427 P CA 1.189 64.242 63.100 -0.078 0.000 0.790 427 P CB 0.263 31.908 31.700 -0.091 0.000 0.780 428 E N -0.183 120.010 120.200 -0.011 0.000 2.516 428 E HA -0.079 4.271 4.350 -0.000 0.000 0.199 428 E C 0.852 177.515 176.600 0.106 0.000 1.069 428 E CA 0.589 57.011 56.400 0.037 0.000 0.876 428 E CB -0.480 29.249 29.700 0.048 0.000 0.843 428 E HN 0.250 nan 8.360 nan 0.000 0.530 429 L N 0.811 122.034 121.223 -0.001 0.000 3.122 429 L HA 0.237 4.577 4.340 -0.000 0.000 0.274 429 L C 1.728 178.502 176.870 -0.161 0.000 1.222 429 L CA -0.103 54.665 54.840 -0.119 0.000 1.028 429 L CB 0.322 42.191 42.059 -0.316 0.000 1.386 429 L HN -0.058 nan 8.230 nan 0.000 0.578 430 R N 0.285 120.777 120.500 -0.013 0.000 2.193 430 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 430 R C 1.899 178.173 176.300 -0.044 0.000 1.110 430 R CA 1.255 57.327 56.100 -0.047 0.000 0.988 430 R CB -0.045 30.238 30.300 -0.027 0.000 0.871 430 R HN 0.621 nan 8.270 nan 0.000 0.458 431 H N -1.527 117.497 119.070 -0.076 0.000 2.512 431 H HA 0.091 4.647 4.556 -0.000 0.000 0.279 431 H C 0.636 175.928 175.328 -0.061 0.000 0.999 431 H CA -0.059 55.949 56.048 -0.067 0.000 1.283 431 H CB -0.701 29.038 29.762 -0.038 0.000 1.421 431 H HN -0.180 nan 8.280 nan 0.000 0.554 432 V N 2.671 122.195 119.914 -0.651 0.000 2.963 432 V HA -0.039 4.081 4.120 -0.000 0.000 0.306 432 V C 0.159 176.154 176.094 -0.166 0.000 1.077 432 V CA -0.112 61.963 62.300 -0.375 0.000 1.124 432 V CB 0.465 32.049 31.823 -0.398 0.000 0.987 432 V HN 0.403 nan 8.190 nan 0.000 0.487 433 H N 5.056 124.047 119.070 -0.132 0.000 2.764 433 H HA 0.171 4.727 4.556 -0.000 0.000 0.341 433 H C -1.597 173.683 175.328 -0.079 0.000 1.072 433 H CA -1.327 54.671 56.048 -0.082 0.000 1.444 433 H CB 0.507 30.236 29.762 -0.055 0.000 1.458 433 H HN 0.392 nan 8.280 nan 0.000 0.572 434 P HA -0.257 nan 4.420 nan 0.000 0.217 434 P C 1.451 178.761 177.300 0.016 0.000 1.151 434 P CA 1.687 64.783 63.100 -0.007 0.000 0.849 434 P CB 0.342 32.032 31.700 -0.017 0.000 0.787 435 K N 0.209 120.637 120.400 0.046 0.000 2.063 435 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 435 K C 1.486 178.095 176.600 0.015 0.000 1.048 435 K CA 1.991 58.295 56.287 0.028 0.000 0.928 435 K CB -1.151 31.367 32.500 0.030 0.000 0.713 435 K HN 0.050 nan 8.250 nan 0.000 0.442 436 D N 0.088 120.499 120.400 0.019 0.000 2.194 436 D HA -0.035 4.605 4.640 -0.000 0.000 0.204 436 D C 1.934 178.226 176.300 -0.013 0.000 0.964 436 D CA 0.891 54.890 54.000 -0.002 0.000 0.846 436 D CB 0.031 40.827 40.800 -0.006 0.000 0.962 436 D HN 0.238 nan 8.370 nan 0.000 0.490 437 L N 0.459 121.668 121.223 -0.024 0.000 2.217 437 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 437 L C 2.401 179.272 176.870 0.001 0.000 1.107 437 L CA 0.537 55.355 54.840 -0.036 0.000 0.783 437 L CB -0.103 41.920 42.059 -0.061 0.000 0.919 437 L HN -0.022 nan 8.230 nan 0.000 0.442 438 I N -0.631 119.945 120.570 0.010 0.000 2.333 438 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 438 I C 2.674 178.807 176.117 0.026 0.000 1.106 438 I CA 1.346 62.661 61.300 0.025 0.000 1.411 438 I CB -0.122 37.888 38.000 0.016 0.000 1.082 438 I HN 0.290 nan 8.210 nan 0.000 0.420 439 S N 0.292 116.001 115.700 0.014 0.000 2.461 439 S HA 0.065 4.535 4.470 -0.000 0.000 0.228 439 S C 1.793 176.392 174.600 -0.001 0.000 1.005 439 S CA 0.646 58.855 58.200 0.014 0.000 0.942 439 S CB 0.142 63.347 63.200 0.009 0.000 0.776 439 S HN 0.591 nan 8.310 nan 0.000 0.514 440 G N 0.903 109.694 108.800 -0.015 0.000 2.159 440 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.256 440 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.256 440 G C -0.292 174.568 174.900 -0.066 0.000 0.977 440 G CA 0.192 45.252 45.100 -0.066 0.000 0.652 440 G HN 0.633 nan 8.290 nan 0.000 0.531 441 E N 0.358 120.542 120.200 -0.027 0.000 2.042 441 E HA 0.533 4.883 4.350 -0.000 0.000 0.260 441 E C 0.118 176.718 176.600 -0.000 0.000 0.975 441 E CA -0.356 56.036 56.400 -0.014 0.000 0.799 441 E CB 0.824 30.521 29.700 -0.005 0.000 1.131 441 E HN 0.472 nan 8.360 nan 0.000 0.423 442 I N 2.308 122.888 120.570 0.018 0.000 2.378 442 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 442 I C 0.736 176.879 176.117 0.043 0.000 0.992 442 I CA -0.967 60.351 61.300 0.031 0.000 1.154 442 I CB 1.719 39.756 38.000 0.061 0.000 1.315 442 I HN 0.326 nan 8.210 nan 0.000 0.448 443 T N 2.887 117.462 114.554 0.035 0.000 2.928 443 T HA 0.115 4.465 4.350 -0.000 0.000 0.305 443 T C -1.845 172.891 174.700 0.061 0.000 1.035 443 T CA -1.170 60.954 62.100 0.040 0.000 1.145 443 T CB 0.803 69.691 68.868 0.032 0.000 0.963 443 T HN 0.344 nan 8.240 nan 0.000 0.545 444 P HA -0.174 nan 4.420 nan 0.000 0.217 444 P C 1.671 179.012 177.300 0.070 0.000 1.158 444 P CA 0.592 63.727 63.100 0.059 0.000 0.887 444 P CB -0.030 31.696 31.700 0.043 0.000 0.792 445 I N -0.075 120.532 120.570 0.061 0.000 2.226 445 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 445 I C 1.711 177.885 176.117 0.095 0.000 1.100 445 I CA 1.924 63.261 61.300 0.062 0.000 1.374 445 I CB -0.762 37.266 38.000 0.047 0.000 1.057 445 I HN 0.031 nan 8.210 nan 0.000 0.413 446 E N 0.245 120.519 120.200 0.124 0.000 2.502 446 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 446 E C 1.999 178.769 176.600 0.284 0.000 1.062 446 E CA -0.046 56.488 56.400 0.222 0.000 0.867 446 E CB 0.135 29.929 29.700 0.156 0.000 0.888 446 E HN 0.360 nan 8.360 nan 0.000 0.510 447 R N -0.258 120.357 120.500 0.191 0.000 2.254 447 R HA 0.047 4.387 4.340 -0.000 0.000 0.193 447 R C 0.462 176.891 176.300 0.214 0.000 0.929 447 R CA 0.154 56.379 56.100 0.207 0.000 1.038 447 R CB 0.246 30.657 30.300 0.184 0.000 1.009 447 R HN -0.049 nan 8.270 nan 0.000 0.512 448 R N -1.898 118.692 120.500 0.150 0.000 3.869 448 R HA -0.233 4.107 4.340 -0.000 0.000 0.424 448 R C 1.215 177.579 176.300 0.106 0.000 0.241 448 R CA 1.866 58.027 56.100 0.101 0.000 1.351 448 R CB -1.843 28.505 30.300 0.080 0.000 0.979 448 R HN 0.386 nan 8.270 nan 0.000 0.572 449 G N -1.206 107.659 108.800 0.109 0.000 2.985 449 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.209 449 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.209 449 G C -0.290 174.688 174.900 0.129 0.000 1.165 449 G CA 0.245 45.403 45.100 0.096 0.000 0.776 449 G HN 0.397 nan 8.290 nan 0.000 0.541 450 Y N 3.646 123.973 120.300 0.045 0.000 2.569 450 Y HA 0.249 4.799 4.550 -0.000 0.000 0.332 450 Y C -1.643 174.281 175.900 0.039 0.000 1.120 450 Y CA -2.956 55.169 58.100 0.042 0.000 1.416 450 Y CB 0.661 39.149 38.460 0.046 0.000 1.210 450 Y HN 0.021 nan 8.280 nan 0.000 0.528 451 P HA 0.102 nan 4.420 nan 0.000 0.270 451 P C -1.015 176.085 177.300 -0.333 0.000 1.223 451 P CA -0.144 62.767 63.100 -0.315 0.000 0.785 451 P CB 0.802 32.343 31.700 -0.265 0.000 0.923 452 A N 3.023 125.764 122.820 -0.131 0.000 2.286 452 A HA 0.511 4.831 4.320 -0.000 0.000 0.286 452 A C -2.169 175.387 177.584 -0.048 0.000 1.097 452 A CA -1.779 50.218 52.037 -0.067 0.000 0.821 452 A CB -1.268 17.726 19.000 -0.011 0.000 1.076 452 A HN 0.393 nan 8.150 nan 0.000 0.490 453 P HA -0.042 nan 4.420 nan 0.000 0.260 453 P C 0.786 178.199 177.300 0.188 0.000 1.172 453 P CA 0.464 63.593 63.100 0.047 0.000 0.760 453 P CB 0.097 31.741 31.700 -0.094 0.000 0.773 454 I N 2.258 123.011 120.570 0.305 0.000 3.001 454 I HA 0.023 4.193 4.170 -0.000 0.000 0.268 454 I C 0.456 176.723 176.117 0.251 0.000 1.267 454 I CA 0.328 61.773 61.300 0.242 0.000 1.472 454 I CB -0.303 37.842 38.000 0.241 0.000 1.089 454 I HN 0.007 nan 8.210 nan 0.000 0.468 455 V N -2.015 118.112 119.914 0.356 0.000 3.147 455 V HA 0.461 4.581 4.120 -0.000 0.000 0.306 455 V C -0.855 175.446 176.094 0.346 0.000 1.209 455 V CA -0.921 61.547 62.300 0.280 0.000 1.023 455 V CB 1.652 33.595 31.823 0.200 0.000 1.059 455 V HN 0.245 nan 8.190 nan 0.000 0.435 456 N N 0.824 119.669 118.700 0.242 0.000 2.500 456 N HA 0.179 4.918 4.740 -0.000 0.000 0.236 456 N C 0.807 176.472 175.510 0.259 0.000 1.022 456 N CA -0.003 53.191 53.050 0.240 0.000 0.935 456 N CB 0.815 39.389 38.487 0.147 0.000 1.147 456 N HN 1.071 nan 8.380 nan 0.000 0.512 457 H N 4.549 123.799 119.070 0.300 0.000 2.292 457 H HA -0.237 4.319 4.556 -0.000 0.000 0.292 457 H C 1.452 176.872 175.328 0.153 0.000 1.100 457 H CA 2.772 58.967 56.048 0.244 0.000 1.238 457 H CB -0.002 29.965 29.762 0.341 0.000 1.355 457 H HN 0.679 nan 8.280 nan 0.000 0.484 458 N N -0.323 118.374 118.700 -0.005 0.000 2.069 458 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 458 N C 2.047 177.523 175.510 -0.057 0.000 1.031 458 N CA 1.697 54.700 53.050 -0.078 0.000 0.852 458 N CB -0.320 38.194 38.487 0.044 0.000 1.018 458 N HN 0.471 nan 8.380 nan 0.000 0.423 459 L N -0.231 120.998 121.223 0.009 0.000 2.093 459 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 459 L C 2.366 179.247 176.870 0.018 0.000 1.085 459 L CA 0.699 55.553 54.840 0.023 0.000 0.755 459 L CB -0.297 41.791 42.059 0.048 0.000 0.904 459 L HN 0.162 nan 8.230 nan 0.000 0.435 460 R N -0.058 120.447 120.500 0.009 0.000 2.092 460 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 460 R C 2.051 178.365 176.300 0.022 0.000 1.119 460 R CA 1.113 57.227 56.100 0.024 0.000 0.970 460 R CB -0.648 29.656 30.300 0.007 0.000 0.864 460 R HN 0.483 nan 8.270 nan 0.000 0.440 461 Q N 1.137 120.879 119.800 -0.096 0.000 2.079 461 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 461 Q C 1.614 177.640 176.000 0.043 0.000 0.974 461 Q CA 1.512 57.268 55.803 -0.079 0.000 0.840 461 Q CB 0.156 28.736 28.738 -0.263 0.000 0.898 461 Q HN 0.251 nan 8.270 nan 0.000 0.430 462 K N 0.008 120.421 120.400 0.022 0.000 2.097 462 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 462 K C 2.148 178.791 176.600 0.071 0.000 1.050 462 K CA 1.320 57.635 56.287 0.047 0.000 0.938 462 K CB -0.077 32.439 32.500 0.026 0.000 0.718 462 K HN 0.299 nan 8.250 nan 0.000 0.442 463 Q N 0.353 120.199 119.800 0.078 0.000 2.046 463 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 463 Q C 1.956 178.023 176.000 0.112 0.000 0.975 463 Q CA 1.358 57.205 55.803 0.072 0.000 0.836 463 Q CB -0.102 28.678 28.738 0.071 0.000 0.896 463 Q HN 0.255 nan 8.270 nan 0.000 0.428 464 F N 1.239 121.230 119.950 0.068 0.000 2.102 464 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 464 F C 1.982 177.886 175.800 0.174 0.000 1.105 464 F CA 1.686 59.779 58.000 0.156 0.000 1.239 464 F CB 0.023 39.101 39.000 0.130 0.000 0.991 464 F HN -0.037 nan 8.300 nan 0.000 0.474 465 K N 0.097 120.701 120.400 0.340 0.000 2.063 465 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 465 K C 2.296 178.979 176.600 0.137 0.000 1.048 465 K CA 1.256 57.693 56.287 0.250 0.000 0.928 465 K CB -0.606 32.003 32.500 0.182 0.000 0.713 465 K HN 0.351 nan 8.250 nan 0.000 0.442 466 A N 1.479 124.337 122.820 0.063 0.000 1.908 466 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 466 A C 2.136 179.669 177.584 -0.085 0.000 1.181 466 A CA 1.387 53.419 52.037 -0.007 0.000 0.627 466 A CB -0.686 18.303 19.000 -0.019 0.000 0.818 466 A HN 0.172 nan 8.150 nan 0.000 0.445 467 L N -2.367 118.763 121.223 -0.155 0.000 2.093 467 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 467 L C 2.570 179.241 176.870 -0.332 0.000 1.085 467 L CA 1.565 56.198 54.840 -0.346 0.000 0.755 467 L CB -0.586 41.118 42.059 -0.591 0.000 0.904 467 L HN 0.579 nan 8.230 nan 0.000 0.435 468 Y N 1.317 121.457 120.300 -0.268 0.000 2.114 468 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 468 Y C 2.561 178.357 175.900 -0.174 0.000 1.143 468 Y CA 1.669 59.662 58.100 -0.178 0.000 1.135 468 Y CB -0.228 38.187 38.460 -0.075 0.000 0.980 468 Y HN 0.199 nan 8.280 nan 0.000 0.499 469 N N 0.233 118.889 118.700 -0.072 0.000 2.223 469 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 469 N C 1.729 177.121 175.510 -0.197 0.000 1.016 469 N CA 1.595 54.565 53.050 -0.133 0.000 0.863 469 N CB -0.353 38.129 38.487 -0.009 0.000 0.983 469 N HN 0.608 nan 8.380 nan 0.000 0.429 470 Q N 0.205 119.887 119.800 -0.196 0.000 2.079 470 Q HA -0.064 4.275 4.340 -0.000 0.000 0.200 470 Q C 2.025 177.876 176.000 -0.249 0.000 0.974 470 Q CA 0.806 56.490 55.803 -0.199 0.000 0.840 470 Q CB -0.101 28.520 28.738 -0.194 0.000 0.898 470 Q HN 0.185 nan 8.270 nan 0.000 0.430 471 L N 1.209 122.233 121.223 -0.332 0.000 2.109 471 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 471 L C 2.182 178.838 176.870 -0.357 0.000 1.086 471 L CA 1.719 56.347 54.840 -0.353 0.000 0.760 471 L CB -0.339 41.458 42.059 -0.436 0.000 0.910 471 L HN 0.008 nan 8.230 nan 0.000 0.437 472 K N -0.599 119.531 120.400 -0.449 0.000 2.063 472 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 472 K C 1.931 178.375 176.600 -0.259 0.000 1.048 472 K CA 1.554 57.582 56.287 -0.431 0.000 0.928 472 K CB -0.191 31.996 32.500 -0.522 0.000 0.713 472 K HN 0.466 nan 8.250 nan 0.000 0.442 473 A N 0.830 123.522 122.820 -0.214 0.000 1.872 473 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 473 A C 2.247 179.748 177.584 -0.138 0.000 1.187 473 A CA 1.436 53.384 52.037 -0.148 0.000 0.614 473 A CB -0.699 18.227 19.000 -0.123 0.000 0.826 473 A HN 0.437 nan 8.150 nan 0.000 0.442 474 A N -0.752 121.973 122.820 -0.157 0.000 2.234 474 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 474 A C 1.054 178.559 177.584 -0.131 0.000 1.167 474 A CA 0.728 52.681 52.037 -0.139 0.000 0.698 474 A CB -0.563 18.343 19.000 -0.156 0.000 0.779 474 A HN 0.502 nan 8.150 nan 0.000 0.475 475 I N 0.000 120.484 120.570 -0.143 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.225 61.300 -0.125 0.000 1.566 475 I CB 0.000 37.911 38.000 -0.148 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494