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 1own_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 0.000 177.597 177.584 0.021 0.000 1.274 2 A CA 0.000 52.048 52.037 0.018 0.000 0.836 2 A CB 0.000 19.012 19.000 0.019 0.000 0.831 3 A N 1.251 124.086 122.820 0.025 0.000 3.030 3 A HA 0.716 5.036 4.320 -0.000 0.000 0.335 3 A C -2.835 174.772 177.584 0.039 0.000 1.089 3 A CA -1.136 50.919 52.037 0.031 0.000 0.807 3 A CB 0.234 19.252 19.000 0.030 0.000 1.099 3 A HN 0.513 nan 8.150 nan 0.000 0.474 4 P HA 0.618 nan 4.420 nan 0.000 0.283 4 P C -0.362 176.981 177.300 0.071 0.000 1.271 4 P CA -0.395 62.737 63.100 0.052 0.000 0.841 4 P CB 1.797 33.527 31.700 0.049 0.000 1.122 5 I N 1.554 122.172 120.570 0.080 0.000 2.377 5 I HA 0.314 4.484 4.170 -0.000 0.000 0.293 5 I C 0.592 176.796 176.117 0.145 0.000 0.987 5 I CA -0.865 60.503 61.300 0.115 0.000 1.185 5 I CB 0.714 38.753 38.000 0.065 0.000 1.341 5 I HN 0.293 nan 8.210 nan 0.000 0.455 6 L N 5.063 126.396 121.223 0.182 0.000 2.289 6 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 6 L C -0.708 176.342 176.870 0.300 0.000 1.049 6 L CA -0.392 54.564 54.840 0.194 0.000 0.804 6 L CB 1.291 43.425 42.059 0.126 0.000 1.195 6 L HN 0.635 nan 8.230 nan 0.000 0.428 7 F N 3.223 123.294 119.950 0.201 0.000 2.402 7 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 7 F C -0.764 175.216 175.800 0.300 0.000 1.123 7 F CA -0.710 57.434 58.000 0.240 0.000 1.021 7 F CB 1.048 40.141 39.000 0.155 0.000 1.160 7 F HN 0.410 nan 8.300 nan 0.000 0.451 8 W N 8.179 129.110 121.300 -0.615 0.000 2.357 8 W HA 0.326 4.986 4.660 -0.000 0.000 0.317 8 W C -0.917 175.312 176.519 -0.484 0.000 1.101 8 W CA -0.975 56.142 57.345 -0.382 0.000 1.380 8 W CB -0.287 29.015 29.460 -0.264 0.000 1.266 8 W HN 0.557 nan 8.180 nan 0.000 0.419 9 H N 4.809 124.027 119.070 0.247 0.000 2.582 9 H HA 0.364 4.920 4.556 -0.000 0.000 0.345 9 H C 0.558 175.959 175.328 0.122 0.000 1.104 9 H CA 0.354 56.580 56.048 0.297 0.000 1.390 9 H CB 1.521 31.614 29.762 0.552 0.000 1.461 9 H HN 0.385 nan 8.280 nan 0.000 0.551 10 R N 0.902 121.511 120.500 0.182 0.000 4.480 10 R HA 0.270 4.610 4.340 -0.000 0.000 0.131 10 R C 0.400 176.906 176.300 0.344 0.000 1.015 10 R CA -0.225 55.933 56.100 0.098 0.000 0.941 10 R CB 0.465 30.578 30.300 -0.312 0.000 1.426 10 R HN 0.296 nan 8.270 nan 0.000 0.435 11 R N 2.051 122.690 120.500 0.231 0.000 2.652 11 R HA 0.213 4.553 4.340 -0.000 0.000 0.372 11 R C -0.879 175.596 176.300 0.291 0.000 1.104 11 R CA 0.131 56.394 56.100 0.271 0.000 1.072 11 R CB 0.643 31.012 30.300 0.115 0.000 1.367 11 R HN 0.367 nan 8.270 nan 0.000 0.577 12 D N -0.136 120.486 120.400 0.369 0.000 2.879 12 D HA 0.055 4.695 4.640 -0.000 0.000 0.351 12 D C -0.013 176.579 176.300 0.486 0.000 1.239 12 D CA -0.398 53.832 54.000 0.382 0.000 0.771 12 D CB -0.253 40.775 40.800 0.379 0.000 1.176 12 D HN 0.013 nan 8.370 nan 0.000 0.496 13 L N 1.770 123.207 121.223 0.356 0.000 2.376 13 L HA 0.316 4.656 4.340 -0.000 0.000 0.250 13 L C 0.585 177.524 176.870 0.115 0.000 1.335 13 L CA 0.016 54.977 54.840 0.202 0.000 1.214 13 L CB -0.791 41.323 42.059 0.090 0.000 1.395 13 L HN 0.244 nan 8.230 nan 0.000 0.424 14 R N 0.295 120.884 120.500 0.148 0.000 2.728 14 R HA 0.330 4.670 4.340 -0.000 0.000 0.274 14 R C -0.692 175.655 176.300 0.078 0.000 1.032 14 R CA -1.028 55.118 56.100 0.077 0.000 0.866 14 R CB 1.018 31.372 30.300 0.091 0.000 1.263 14 R HN -0.005 nan 8.270 nan 0.000 0.475 15 L N 0.793 122.003 121.223 -0.021 0.000 2.408 15 L HA 0.229 4.569 4.340 -0.000 0.000 0.215 15 L C 0.445 177.272 176.870 -0.072 0.000 1.081 15 L CA 1.093 55.876 54.840 -0.096 0.000 0.840 15 L CB 0.505 42.441 42.059 -0.204 0.000 1.002 15 L HN 0.824 nan 8.230 nan 0.000 0.468 16 S N -1.538 114.145 115.700 -0.030 0.000 2.652 16 S HA 0.224 4.694 4.470 -0.000 0.000 0.270 16 S C 0.329 174.935 174.600 0.010 0.000 1.243 16 S CA -0.318 57.872 58.200 -0.016 0.000 0.999 16 S CB 0.946 64.145 63.200 -0.001 0.000 0.973 16 S HN 0.271 nan 8.310 nan 0.000 0.544 17 D N 0.640 121.046 120.400 0.011 0.000 2.859 17 D HA -0.232 4.408 4.640 -0.000 0.000 0.215 17 D C -0.726 175.597 176.300 0.039 0.000 1.253 17 D CA 0.784 54.802 54.000 0.030 0.000 0.673 17 D CB -1.458 39.375 40.800 0.056 0.000 0.941 17 D HN 0.614 nan 8.370 nan 0.000 0.394 18 N N 1.441 120.143 118.700 0.003 0.000 2.569 18 N HA 0.169 4.909 4.740 -0.000 0.000 0.254 18 N C 1.400 176.899 175.510 -0.019 0.000 1.004 18 N CA -0.505 52.547 53.050 0.002 0.000 0.904 18 N CB 0.807 39.255 38.487 -0.066 0.000 1.165 18 N HN 0.013 nan 8.380 nan 0.000 0.513 19 I N 2.402 123.002 120.570 0.049 0.000 2.074 19 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 19 I C 2.615 178.778 176.117 0.077 0.000 1.037 19 I CA 2.223 63.562 61.300 0.065 0.000 1.301 19 I CB -1.512 36.552 38.000 0.107 0.000 1.016 19 I HN 0.713 nan 8.210 nan 0.000 0.400 20 G N -0.224 108.677 108.800 0.168 0.000 2.446 20 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 20 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 20 G C 1.629 176.594 174.900 0.109 0.000 1.168 20 G CA 1.090 46.403 45.100 0.354 0.000 0.771 20 G HN 0.446 nan 8.290 nan 0.000 0.551 21 L N 1.366 122.294 121.223 -0.493 0.000 2.017 21 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 21 L C 3.121 179.789 176.870 -0.336 0.000 1.073 21 L CA 2.164 56.511 54.840 -0.822 0.000 0.745 21 L CB -0.779 40.712 42.059 -0.947 0.000 0.894 21 L HN 0.250 nan 8.230 nan 0.000 0.432 22 A N -0.692 122.007 122.820 -0.202 0.000 1.902 22 A HA -0.125 4.194 4.320 -0.000 0.000 0.217 22 A C 2.442 179.969 177.584 -0.095 0.000 1.181 22 A CA 1.855 53.821 52.037 -0.118 0.000 0.623 22 A CB -1.159 17.803 19.000 -0.064 0.000 0.818 22 A HN 0.554 nan 8.150 nan 0.000 0.443 23 A N -0.191 122.599 122.820 -0.051 0.000 1.902 23 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 23 A C 2.492 179.971 177.584 -0.176 0.000 1.181 23 A CA 2.086 54.121 52.037 -0.003 0.000 0.623 23 A CB -0.965 18.139 19.000 0.173 0.000 0.818 23 A HN 1.051 nan 8.150 nan 0.000 0.443 24 A N -0.262 122.286 122.820 -0.453 0.000 1.898 24 A HA -0.130 4.189 4.320 -0.000 0.000 0.216 24 A C 2.164 179.550 177.584 -0.331 0.000 1.181 24 A CA 2.015 53.581 52.037 -0.785 0.000 0.620 24 A CB -0.415 18.135 19.000 -0.749 0.000 0.819 24 A HN 0.446 nan 8.150 nan 0.000 0.442 25 R N 0.320 120.695 120.500 -0.208 0.000 2.152 25 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 25 R C 1.859 178.109 176.300 -0.083 0.000 1.117 25 R CA 1.627 57.656 56.100 -0.118 0.000 0.981 25 R CB -0.743 29.496 30.300 -0.101 0.000 0.870 25 R HN 0.382 nan 8.270 nan 0.000 0.451 26 A N -0.354 122.418 122.820 -0.080 0.000 2.168 26 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 26 A C 1.505 179.072 177.584 -0.029 0.000 1.152 26 A CA 0.804 52.817 52.037 -0.041 0.000 0.716 26 A CB -0.094 18.892 19.000 -0.023 0.000 0.794 26 A HN 0.301 nan 8.150 nan 0.000 0.465 27 Q N -1.094 118.676 119.800 -0.050 0.000 2.396 27 Q HA 0.192 4.532 4.340 -0.000 0.000 0.220 27 Q C 0.200 176.191 176.000 -0.015 0.000 0.900 27 Q CA 0.821 56.614 55.803 -0.017 0.000 0.925 27 Q CB 0.576 29.317 28.738 0.004 0.000 1.065 27 Q HN 0.482 nan 8.270 nan 0.000 0.535 28 S N -1.671 114.008 115.700 -0.035 0.000 2.556 28 S HA 0.575 5.045 4.470 -0.000 0.000 0.280 28 S C -0.701 173.891 174.600 -0.013 0.000 1.141 28 S CA 0.081 58.273 58.200 -0.013 0.000 0.883 28 S CB 1.230 64.432 63.200 0.003 0.000 1.103 28 S HN 0.060 nan 8.310 nan 0.000 0.453 29 A N 2.586 125.407 122.820 0.002 0.000 2.132 29 A HA 0.241 4.561 4.320 -0.000 0.000 0.213 29 A C 1.188 178.788 177.584 0.027 0.000 1.154 29 A CA 0.461 52.503 52.037 0.008 0.000 0.753 29 A CB -0.322 18.683 19.000 0.007 0.000 0.826 29 A HN 0.771 nan 8.150 nan 0.000 0.469 30 Q N 0.607 120.426 119.800 0.031 0.000 3.254 30 Q HA 0.294 4.634 4.340 -0.000 0.000 0.315 30 Q C -1.117 174.921 176.000 0.063 0.000 1.405 30 Q CA -0.320 55.511 55.803 0.046 0.000 0.966 30 Q CB -0.393 28.369 28.738 0.039 0.000 1.706 30 Q HN 0.349 nan 8.270 nan 0.000 0.525 31 L N 2.664 123.937 121.223 0.083 0.000 2.257 31 L HA 0.407 4.746 4.340 -0.000 0.000 0.290 31 L C -1.034 175.959 176.870 0.205 0.000 1.044 31 L CA -0.270 54.646 54.840 0.127 0.000 0.810 31 L CB 1.266 43.388 42.059 0.105 0.000 1.193 31 L HN 0.142 nan 8.230 nan 0.000 0.425 32 I N 4.056 124.731 120.570 0.175 0.000 2.389 32 I HA 0.686 4.856 4.170 -0.000 0.000 0.288 32 I C 0.967 177.126 176.117 0.069 0.000 0.999 32 I CA -0.763 60.599 61.300 0.104 0.000 1.129 32 I CB 0.622 38.653 38.000 0.052 0.000 1.288 32 I HN 0.799 nan 8.210 nan 0.000 0.444 33 G N 4.106 112.732 108.800 -0.291 0.000 2.562 33 G HA2 0.759 4.718 3.960 -0.000 0.000 0.275 33 G HA3 0.759 4.718 3.960 -0.000 0.000 0.275 33 G C -0.709 174.146 174.900 -0.076 0.000 1.196 33 G CA -0.358 44.600 45.100 -0.236 0.000 0.908 33 G HN 1.158 nan 8.290 nan 0.000 0.524 34 L N -2.156 119.189 121.223 0.204 0.000 2.582 34 L HA 0.877 5.217 4.340 -0.000 0.000 0.257 34 L C -1.697 175.405 176.870 0.386 0.000 0.974 34 L CA -1.174 53.771 54.840 0.176 0.000 0.851 34 L CB 2.230 44.323 42.059 0.057 0.000 1.424 34 L HN 0.512 nan 8.230 nan 0.000 0.412 35 F N 1.979 122.018 119.950 0.148 0.000 2.574 35 F HA 0.706 5.233 4.527 -0.000 0.000 0.313 35 F C -1.153 174.724 175.800 0.128 0.000 1.130 35 F CA -0.762 57.370 58.000 0.218 0.000 0.936 35 F CB 1.804 40.897 39.000 0.155 0.000 1.219 35 F HN 0.936 nan 8.300 nan 0.000 0.445 36 C N 8.208 127.276 119.300 -0.386 0.000 2.281 36 C HA 0.601 5.061 4.460 -0.000 0.000 0.323 36 C C -0.369 174.483 174.990 -0.230 0.000 1.270 36 C CA -0.831 58.059 59.018 -0.214 0.000 1.559 36 C CB -0.441 27.159 27.740 -0.233 0.000 2.239 36 C HN 0.785 nan 8.230 nan 0.000 0.488 37 L N 5.866 127.128 121.223 0.065 0.000 2.433 37 L HA 0.211 4.551 4.340 -0.000 0.000 0.284 37 L C 0.284 177.202 176.870 0.081 0.000 1.120 37 L CA 0.336 55.276 54.840 0.166 0.000 0.879 37 L CB -0.072 42.114 42.059 0.212 0.000 1.232 37 L HN 0.678 nan 8.230 nan 0.000 0.454 38 D N 5.880 126.322 120.400 0.069 0.000 2.339 38 D HA 0.171 4.811 4.640 -0.000 0.000 0.241 38 D C -1.619 174.730 176.300 0.082 0.000 1.183 38 D CA -2.191 51.855 54.000 0.078 0.000 0.859 38 D CB 1.815 42.685 40.800 0.117 0.000 1.067 38 D HN 0.141 nan 8.370 nan 0.000 0.484 39 P HA -0.155 nan 4.420 nan 0.000 0.216 39 P C 1.102 178.425 177.300 0.038 0.000 1.150 39 P CA 1.231 64.366 63.100 0.058 0.000 0.843 39 P CB 0.251 31.977 31.700 0.043 0.000 0.787 40 Q N -1.253 118.564 119.800 0.029 0.000 2.226 40 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 40 Q C 1.888 177.814 176.000 -0.123 0.000 0.975 40 Q CA 1.171 56.950 55.803 -0.040 0.000 0.866 40 Q CB -0.317 28.405 28.738 -0.027 0.000 0.915 40 Q HN 0.263 nan 8.270 nan 0.000 0.440 41 I N -0.466 120.060 120.570 -0.075 0.000 2.556 41 I HA -0.081 4.089 4.170 -0.000 0.000 0.251 41 I C 2.096 178.228 176.117 0.026 0.000 1.105 41 I CA 0.434 61.693 61.300 -0.069 0.000 1.436 41 I CB -0.709 37.284 38.000 -0.011 0.000 1.139 41 I HN 0.239 nan 8.210 nan 0.000 0.438 42 L N -0.066 121.205 121.223 0.080 0.000 2.083 42 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 42 L C 2.527 179.517 176.870 0.199 0.000 1.083 42 L CA 1.303 56.233 54.840 0.151 0.000 0.752 42 L CB -0.506 41.661 42.059 0.180 0.000 0.899 42 L HN 0.326 nan 8.230 nan 0.000 0.433 43 Q N -0.567 119.303 119.800 0.117 0.000 2.403 43 Q HA 0.070 4.410 4.340 -0.000 0.000 0.203 43 Q C 0.891 176.929 176.000 0.063 0.000 0.932 43 Q CA 0.062 55.919 55.803 0.089 0.000 0.945 43 Q CB 0.283 29.050 28.738 0.047 0.000 1.045 43 Q HN 0.277 nan 8.270 nan 0.000 0.511 44 S N 0.164 115.894 115.700 0.051 0.000 2.549 44 S HA 0.220 4.690 4.470 -0.000 0.000 0.286 44 S C 1.195 175.822 174.600 0.044 0.000 1.314 44 S CA 0.226 58.438 58.200 0.021 0.000 1.062 44 S CB 0.995 64.184 63.200 -0.018 0.000 0.865 44 S HN 0.356 nan 8.310 nan 0.000 0.498 45 A N 3.706 126.543 122.820 0.029 0.000 2.172 45 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 45 A C 1.281 178.885 177.584 0.033 0.000 1.154 45 A CA 1.232 53.292 52.037 0.038 0.000 0.701 45 A CB -0.301 18.720 19.000 0.035 0.000 0.789 45 A HN 0.836 nan 8.150 nan 0.000 0.465 46 D N -1.220 119.192 120.400 0.020 0.000 2.340 46 D HA 0.161 4.801 4.640 -0.000 0.000 0.217 46 D C 0.280 176.579 176.300 -0.003 0.000 1.081 46 D CA 0.084 54.089 54.000 0.009 0.000 0.842 46 D CB 0.037 40.841 40.800 0.007 0.000 0.934 46 D HN 0.410 nan 8.370 nan 0.000 0.511 47 M N 1.254 120.865 119.600 0.018 0.000 2.180 47 M HA 0.413 4.893 4.480 -0.000 0.000 0.358 47 M C -0.609 175.671 176.300 -0.034 0.000 1.233 47 M CA -0.900 54.406 55.300 0.010 0.000 1.114 47 M CB 0.986 33.628 32.600 0.071 0.000 1.594 47 M HN -0.079 nan 8.290 nan 0.000 0.467 48 A N 7.441 130.195 122.820 -0.110 0.000 2.301 48 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 48 A C -2.080 175.360 177.584 -0.241 0.000 1.185 48 A CA -1.392 50.526 52.037 -0.198 0.000 0.830 48 A CB -0.057 18.808 19.000 -0.225 0.000 1.112 48 A HN 0.794 nan 8.150 nan 0.000 0.508 49 P HA -0.198 nan 4.420 nan 0.000 0.215 49 P C 1.657 178.740 177.300 -0.361 0.000 1.153 49 P CA 2.292 65.321 63.100 -0.119 0.000 0.853 49 P CB 0.233 32.035 31.700 0.171 0.000 0.788 50 A N -0.563 121.815 122.820 -0.737 0.000 1.933 50 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 50 A C 2.374 179.725 177.584 -0.388 0.000 1.175 50 A CA 1.566 52.887 52.037 -1.193 0.000 0.628 50 A CB -1.074 16.985 19.000 -1.568 0.000 0.814 50 A HN 0.027 nan 8.150 nan 0.000 0.444 51 R N -0.581 119.770 120.500 -0.249 0.000 2.092 51 R HA -0.055 4.284 4.340 -0.000 0.000 0.231 51 R C 1.895 178.124 176.300 -0.118 0.000 1.119 51 R CA 1.465 57.555 56.100 -0.017 0.000 0.970 51 R CB -0.277 30.066 30.300 0.073 0.000 0.864 51 R HN 0.333 nan 8.270 nan 0.000 0.440 52 V N 0.691 120.439 119.914 -0.278 0.000 2.427 52 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 52 V C 2.371 178.322 176.094 -0.237 0.000 1.051 52 V CA 1.838 63.915 62.300 -0.372 0.000 1.048 52 V CB -0.679 30.669 31.823 -0.793 0.000 0.666 52 V HN 0.476 nan 8.190 nan 0.000 0.456 53 A N -0.703 122.056 122.820 -0.103 0.000 1.877 53 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 53 A C 2.185 179.769 177.584 0.001 0.000 1.186 53 A CA 2.045 54.144 52.037 0.104 0.000 0.620 53 A CB -0.799 18.452 19.000 0.419 0.000 0.822 53 A HN 0.605 nan 8.150 nan 0.000 0.443 54 Y N 0.048 120.260 120.300 -0.146 0.000 2.145 54 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 54 Y C 2.082 177.663 175.900 -0.532 0.000 1.145 54 Y CA 1.873 59.695 58.100 -0.463 0.000 1.148 54 Y CB -0.306 37.980 38.460 -0.291 0.000 0.981 54 Y HN 0.277 nan 8.280 nan 0.000 0.507 55 L N 0.574 121.461 121.223 -0.559 0.000 1.989 55 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 55 L C 2.448 178.979 176.870 -0.565 0.000 1.071 55 L CA 2.255 56.619 54.840 -0.792 0.000 0.749 55 L CB -1.214 40.383 42.059 -0.770 0.000 0.890 55 L HN 0.330 nan 8.230 nan 0.000 0.431 56 Q N -0.172 119.387 119.800 -0.402 0.000 2.135 56 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 56 Q C 2.033 177.849 176.000 -0.307 0.000 0.981 56 Q CA 1.847 57.470 55.803 -0.299 0.000 0.856 56 Q CB -0.562 28.075 28.738 -0.169 0.000 0.902 56 Q HN 0.696 nan 8.270 nan 0.000 0.425 57 G N -0.116 108.462 108.800 -0.370 0.000 2.408 57 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 57 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 57 G C 1.689 176.338 174.900 -0.418 0.000 1.150 57 G CA 0.917 45.788 45.100 -0.382 0.000 0.776 57 G HN 0.449 nan 8.290 nan 0.000 0.542 58 C N 0.251 119.226 119.300 -0.541 0.000 2.446 58 C HA 0.121 4.580 4.460 -0.000 0.000 0.277 58 C C 2.886 177.689 174.990 -0.311 0.000 1.275 58 C CA 0.347 59.105 59.018 -0.434 0.000 1.727 58 C CB -1.000 26.472 27.740 -0.446 0.000 2.010 58 C HN 0.422 nan 8.230 nan 0.000 0.486 59 L N 0.264 121.274 121.223 -0.355 0.000 2.083 59 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 59 L C 2.820 179.570 176.870 -0.200 0.000 1.083 59 L CA 1.457 56.109 54.840 -0.314 0.000 0.752 59 L CB -0.828 40.978 42.059 -0.421 0.000 0.899 59 L HN 0.469 nan 8.230 nan 0.000 0.433 60 Q N -0.161 119.525 119.800 -0.190 0.000 2.061 60 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 60 Q C 2.169 178.108 176.000 -0.102 0.000 0.984 60 Q CA 2.001 57.728 55.803 -0.127 0.000 0.846 60 Q CB -0.156 28.509 28.738 -0.122 0.000 0.902 60 Q HN 0.503 nan 8.270 nan 0.000 0.421 61 E N 0.381 120.506 120.200 -0.125 0.000 2.051 61 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 61 E C 2.006 178.567 176.600 -0.064 0.000 0.991 61 E CA 0.598 56.942 56.400 -0.093 0.000 0.799 61 E CB -0.009 29.625 29.700 -0.110 0.000 0.748 61 E HN 0.148 nan 8.360 nan 0.000 0.449 62 L N 1.494 122.671 121.223 -0.077 0.000 2.129 62 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 62 L C 2.102 179.021 176.870 0.081 0.000 1.087 62 L CA 1.772 56.599 54.840 -0.022 0.000 0.757 62 L CB -0.400 41.613 42.059 -0.077 0.000 0.896 62 L HN 0.197 nan 8.230 nan 0.000 0.434 63 Q N -1.282 118.534 119.800 0.027 0.000 2.084 63 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 63 Q C 2.194 178.239 176.000 0.074 0.000 0.978 63 Q CA 1.907 57.744 55.803 0.056 0.000 0.844 63 Q CB -0.235 28.505 28.738 0.004 0.000 0.898 63 Q HN 0.669 nan 8.270 nan 0.000 0.426 64 Q N 0.022 119.838 119.800 0.027 0.000 2.079 64 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 64 Q C 2.206 178.218 176.000 0.019 0.000 0.974 64 Q CA 0.727 56.540 55.803 0.017 0.000 0.840 64 Q CB -0.013 28.719 28.738 -0.010 0.000 0.898 64 Q HN 0.228 nan 8.270 nan 0.000 0.430 65 R N -0.016 120.484 120.500 -0.000 0.000 2.083 65 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 65 R C 2.053 178.309 176.300 -0.074 0.000 1.137 65 R CA 1.454 57.520 56.100 -0.057 0.000 0.951 65 R CB -0.726 29.510 30.300 -0.107 0.000 0.851 65 R HN 0.380 nan 8.270 nan 0.000 0.434 66 Y N 1.361 121.656 120.300 -0.007 0.000 2.181 66 Y HA -0.192 4.357 4.550 -0.000 0.000 0.288 66 Y C 2.843 178.750 175.900 0.012 0.000 1.146 66 Y CA 1.548 59.656 58.100 0.014 0.000 1.164 66 Y CB -0.273 38.206 38.460 0.031 0.000 0.982 66 Y HN 0.100 nan 8.280 nan 0.000 0.515 67 Q N 0.698 120.592 119.800 0.157 0.000 2.084 67 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 67 Q C 1.844 177.874 176.000 0.050 0.000 0.978 67 Q CA 1.967 57.824 55.803 0.090 0.000 0.844 67 Q CB -0.180 28.594 28.738 0.060 0.000 0.898 67 Q HN 0.612 nan 8.270 nan 0.000 0.426 68 Q N -0.716 119.099 119.800 0.024 0.000 2.230 68 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 68 Q C 1.880 177.876 176.000 -0.008 0.000 0.963 68 Q CA 1.100 56.904 55.803 0.002 0.000 0.866 68 Q CB -0.059 28.671 28.738 -0.014 0.000 0.931 68 Q HN 0.394 nan 8.270 nan 0.000 0.452 69 A N 0.054 122.863 122.820 -0.019 0.000 2.066 69 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 69 A C 1.681 179.268 177.584 0.006 0.000 1.157 69 A CA 1.325 53.341 52.037 -0.034 0.000 0.670 69 A CB -0.093 18.844 19.000 -0.104 0.000 0.804 69 A HN 0.480 nan 8.150 nan 0.000 0.453 70 G N -2.014 106.810 108.800 0.039 0.000 2.318 70 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.172 70 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.172 70 G C 0.636 175.582 174.900 0.077 0.000 1.002 70 G CA 0.818 45.947 45.100 0.048 0.000 0.697 70 G HN 1.509 nan 8.290 nan 0.000 0.483 71 S N -0.234 115.545 115.700 0.131 0.000 4.353 71 S HA 0.895 5.365 4.470 -0.000 0.000 0.229 71 S C 0.051 174.748 174.600 0.163 0.000 1.098 71 S CA 0.516 58.804 58.200 0.147 0.000 1.695 71 S CB 1.336 64.647 63.200 0.185 0.000 1.097 71 S HN 1.475 nan 8.310 nan 0.000 0.745 72 R N -0.776 119.815 120.500 0.151 0.000 2.741 72 R HA 0.713 5.053 4.340 -0.000 0.000 0.274 72 R C -2.301 173.877 176.300 -0.204 0.000 1.029 72 R CA -0.981 55.155 56.100 0.061 0.000 0.880 72 R CB 0.648 30.963 30.300 0.024 0.000 1.264 72 R HN 0.572 nan 8.270 nan 0.000 0.465 73 L N 1.881 122.991 121.223 -0.189 0.000 2.280 73 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 73 L C -1.165 175.641 176.870 -0.107 0.000 1.023 73 L CA -0.605 54.053 54.840 -0.304 0.000 0.819 73 L CB 1.352 43.309 42.059 -0.170 0.000 1.212 73 L HN 0.587 nan 8.230 nan 0.000 0.420 74 L N 5.917 127.092 121.223 -0.080 0.000 2.371 74 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 74 L C -0.546 176.345 176.870 0.035 0.000 1.124 74 L CA -0.361 54.469 54.840 -0.017 0.000 0.816 74 L CB 0.902 42.949 42.059 -0.021 0.000 1.129 74 L HN 0.551 nan 8.230 nan 0.000 0.448 75 L N 4.332 125.580 121.223 0.042 0.000 2.341 75 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 75 L C -0.829 176.075 176.870 0.057 0.000 1.005 75 L CA -0.554 54.338 54.840 0.087 0.000 0.818 75 L CB 1.856 43.961 42.059 0.077 0.000 1.259 75 L HN 0.372 nan 8.230 nan 0.000 0.418 76 L N 2.557 123.820 121.223 0.067 0.000 2.376 76 L HA 0.575 4.915 4.340 -0.000 0.000 0.258 76 L C -0.656 176.238 176.870 0.040 0.000 1.013 76 L CA -0.313 54.539 54.840 0.019 0.000 0.822 76 L CB 2.117 44.148 42.059 -0.048 0.000 1.388 76 L HN 0.509 nan 8.230 nan 0.000 0.413 77 Q N 0.274 120.087 119.800 0.022 0.000 2.294 77 Q HA 0.684 5.024 4.340 -0.000 0.000 0.264 77 Q C -0.698 175.308 176.000 0.010 0.000 0.992 77 Q CA -0.097 55.727 55.803 0.035 0.000 0.747 77 Q CB 1.765 30.534 28.738 0.051 0.000 1.262 77 Q HN 0.892 nan 8.270 nan 0.000 0.452 78 G N 2.348 111.151 108.800 0.005 0.000 2.345 78 G HA2 0.013 3.973 3.960 -0.000 0.000 0.285 78 G HA3 0.013 3.973 3.960 -0.000 0.000 0.285 78 G C -1.807 173.090 174.900 -0.005 0.000 1.297 78 G CA -0.845 44.251 45.100 -0.006 0.000 0.875 78 G HN 0.565 nan 8.290 nan 0.000 0.506 79 D N 0.511 120.907 120.400 -0.007 0.000 2.371 79 D HA 0.495 5.135 4.640 -0.000 0.000 0.256 79 D C -0.955 175.347 176.300 0.004 0.000 1.193 79 D CA -1.384 52.631 54.000 0.025 0.000 0.881 79 D CB 1.720 42.538 40.800 0.029 0.000 1.143 79 D HN -0.009 nan 8.370 nan 0.000 0.473 80 P HA -0.205 nan 4.420 nan 0.000 0.215 80 P C 1.005 178.184 177.300 -0.202 0.000 1.157 80 P CA 1.420 64.415 63.100 -0.176 0.000 0.874 80 P CB -0.064 31.583 31.700 -0.088 0.000 0.790 81 Q N -1.906 117.841 119.800 -0.089 0.000 2.437 81 Q HA -0.180 4.160 4.340 -0.000 0.000 0.210 81 Q C 1.162 177.051 176.000 -0.186 0.000 0.972 81 Q CA 1.440 57.163 55.803 -0.133 0.000 0.903 81 Q CB -0.671 28.003 28.738 -0.105 0.000 0.967 81 Q HN 0.379 nan 8.270 nan 0.000 0.486 82 H N 0.207 119.212 119.070 -0.108 0.000 2.379 82 H HA 0.210 4.766 4.556 -0.000 0.000 0.308 82 H C 1.856 177.116 175.328 -0.112 0.000 1.047 82 H CA 0.881 56.877 56.048 -0.087 0.000 1.371 82 H CB 0.214 29.940 29.762 -0.061 0.000 1.449 82 H HN 0.035 nan 8.280 nan 0.000 0.564 83 L N -0.099 121.121 121.223 -0.006 0.000 2.056 83 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 83 L C 2.402 179.169 176.870 -0.172 0.000 1.078 83 L CA 0.861 55.649 54.840 -0.086 0.000 0.749 83 L CB -0.469 41.528 42.059 -0.104 0.000 0.901 83 L HN 0.202 nan 8.230 nan 0.000 0.433 84 I N -0.340 120.056 120.570 -0.291 0.000 2.179 84 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 84 I C -0.029 175.956 176.117 -0.220 0.000 1.088 84 I CA 1.566 62.640 61.300 -0.377 0.000 1.357 84 I CB -1.892 35.688 38.000 -0.700 0.000 1.051 84 I HN 0.260 nan 8.210 nan 0.000 0.409 85 P HA -0.150 nan 4.420 nan 0.000 0.217 85 P C 1.802 179.057 177.300 -0.076 0.000 1.151 85 P CA 1.229 64.267 63.100 -0.103 0.000 0.828 85 P CB -0.106 31.531 31.700 -0.106 0.000 0.788 86 Q N -0.964 118.790 119.800 -0.076 0.000 2.084 86 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 86 Q C 2.084 178.055 176.000 -0.048 0.000 0.978 86 Q CA 1.126 56.900 55.803 -0.049 0.000 0.844 86 Q CB -0.791 27.927 28.738 -0.033 0.000 0.898 86 Q HN 0.163 nan 8.270 nan 0.000 0.426 87 L N 0.456 121.638 121.223 -0.069 0.000 2.017 87 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 87 L C 2.170 179.015 176.870 -0.043 0.000 1.073 87 L CA 2.039 56.842 54.840 -0.061 0.000 0.745 87 L CB -0.672 41.332 42.059 -0.092 0.000 0.894 87 L HN 0.125 nan 8.230 nan 0.000 0.432 88 A N -1.096 121.695 122.820 -0.048 0.000 1.908 88 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 88 A C 2.321 179.900 177.584 -0.008 0.000 1.181 88 A CA 1.956 53.983 52.037 -0.017 0.000 0.627 88 A CB -0.736 18.259 19.000 -0.009 0.000 0.818 88 A HN 0.666 nan 8.150 nan 0.000 0.445 89 Q N -1.298 118.492 119.800 -0.017 0.000 2.050 89 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 89 Q C 2.184 178.179 176.000 -0.008 0.000 0.980 89 Q CA 1.485 57.281 55.803 -0.011 0.000 0.840 89 Q CB -0.145 28.582 28.738 -0.017 0.000 0.898 89 Q HN 0.565 nan 8.270 nan 0.000 0.424 90 Q N -0.198 119.595 119.800 -0.012 0.000 2.297 90 Q HA -0.121 4.219 4.340 -0.000 0.000 0.208 90 Q C 1.426 177.425 176.000 -0.002 0.000 0.981 90 Q CA 0.836 56.634 55.803 -0.008 0.000 0.876 90 Q CB 0.093 28.824 28.738 -0.011 0.000 0.921 90 Q HN 0.280 nan 8.270 nan 0.000 0.446 91 L N 0.147 121.369 121.223 -0.001 0.000 2.640 91 L HA 0.118 4.458 4.340 -0.000 0.000 0.230 91 L C 0.670 177.548 176.870 0.013 0.000 1.123 91 L CA 0.486 55.330 54.840 0.007 0.000 0.900 91 L CB -0.324 41.741 42.059 0.009 0.000 1.146 91 L HN 0.277 nan 8.230 nan 0.000 0.484 92 Q N 0.340 120.146 119.800 0.010 0.000 2.435 92 Q HA -0.234 4.106 4.340 -0.000 0.000 0.312 92 Q C 0.118 176.132 176.000 0.023 0.000 1.333 92 Q CA 0.358 56.169 55.803 0.013 0.000 0.883 92 Q CB -0.781 27.964 28.738 0.012 0.000 1.170 92 Q HN 0.481 nan 8.270 nan 0.000 0.443 93 A N 0.920 123.757 122.820 0.028 0.000 2.520 93 A HA 0.007 4.327 4.320 -0.000 0.000 0.245 93 A C 0.846 178.461 177.584 0.052 0.000 1.072 93 A CA 0.606 52.670 52.037 0.046 0.000 0.761 93 A CB 0.429 19.462 19.000 0.055 0.000 1.004 93 A HN 0.712 nan 8.150 nan 0.000 0.499 94 E N 1.540 121.778 120.200 0.063 0.000 2.204 94 E HA 0.171 4.521 4.350 -0.000 0.000 0.194 94 E C 0.474 177.126 176.600 0.088 0.000 0.989 94 E CA 1.135 57.575 56.400 0.067 0.000 0.824 94 E CB -0.003 29.739 29.700 0.071 0.000 0.756 94 E HN 1.014 nan 8.360 nan 0.000 0.477 95 A N -0.916 121.977 122.820 0.121 0.000 2.522 95 A HA 0.443 4.762 4.320 -0.000 0.000 0.294 95 A C -1.651 176.062 177.584 0.214 0.000 1.001 95 A CA -0.627 51.498 52.037 0.147 0.000 0.642 95 A CB 1.355 20.477 19.000 0.203 0.000 1.326 95 A HN -0.015 nan 8.150 nan 0.000 0.435 96 V N 1.160 121.187 119.914 0.188 0.000 2.487 96 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 96 V C -1.217 175.019 176.094 0.237 0.000 1.028 96 V CA -0.433 62.031 62.300 0.272 0.000 0.860 96 V CB 1.177 33.169 31.823 0.282 0.000 0.991 96 V HN 0.766 nan 8.190 nan 0.000 0.427 97 Y N 3.552 123.922 120.300 0.116 0.000 2.528 97 Y HA 0.850 5.400 4.550 -0.000 0.000 0.335 97 Y C -0.150 175.708 175.900 -0.071 0.000 1.093 97 Y CA -0.796 57.306 58.100 0.004 0.000 1.134 97 Y CB 2.084 40.678 38.460 0.224 0.000 1.253 97 Y HN 0.848 nan 8.280 nan 0.000 0.478 98 W N 0.421 121.635 121.300 -0.144 0.000 3.064 98 W HA 0.464 5.124 4.660 0.000 0.000 0.328 98 W C -2.398 173.993 176.519 -0.213 0.000 1.210 98 W CA -1.092 55.972 57.345 -0.467 0.000 1.178 98 W CB 0.420 29.600 29.460 -0.466 0.000 1.416 98 W HN 0.257 nan 8.180 nan 0.000 0.568 99 N N 2.384 121.173 118.700 0.149 0.000 2.456 99 N HA 0.209 4.949 4.740 -0.000 0.000 0.288 99 N C -0.396 175.112 175.510 -0.003 0.000 1.059 99 N CA -0.644 52.444 53.050 0.063 0.000 0.946 99 N CB 1.389 39.963 38.487 0.146 0.000 1.150 99 N HN 0.532 nan 8.380 nan 0.000 0.479 100 Q N 0.465 120.069 119.800 -0.327 0.000 2.395 100 Q HA 0.016 4.356 4.340 -0.000 0.000 0.271 100 Q C -0.356 175.454 176.000 -0.317 0.000 1.026 100 Q CA 0.436 55.913 55.803 -0.544 0.000 0.900 100 Q CB 0.817 28.628 28.738 -1.546 0.000 1.266 100 Q HN 0.459 nan 8.270 nan 0.000 0.430 101 D N 0.383 120.691 120.400 -0.153 0.000 2.326 101 D HA 0.265 4.905 4.640 -0.000 0.000 0.251 101 D C 0.368 176.799 176.300 0.217 0.000 1.023 101 D CA -0.402 53.614 54.000 0.027 0.000 0.966 101 D CB 1.537 42.321 40.800 -0.027 0.000 1.156 101 D HN 0.388 nan 8.370 nan 0.000 0.494 102 I N -2.109 118.627 120.570 0.276 0.000 4.181 102 I HA 0.374 4.544 4.170 -0.000 0.000 0.331 102 I C 0.534 176.786 176.117 0.226 0.000 1.312 102 I CA -0.200 61.326 61.300 0.377 0.000 1.146 102 I CB -1.025 37.159 38.000 0.306 0.000 1.074 102 I HN 0.272 nan 8.210 nan 0.000 0.402 103 E N 2.073 122.362 120.200 0.149 0.000 2.331 103 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 103 E C -1.743 174.912 176.600 0.092 0.000 1.036 103 E CA -1.648 54.821 56.400 0.114 0.000 0.864 103 E CB 0.938 30.705 29.700 0.112 0.000 1.035 103 E HN 0.099 nan 8.360 nan 0.000 0.408 104 P HA -0.249 nan 4.420 nan 0.000 0.215 104 P C 0.981 178.327 177.300 0.076 0.000 1.163 104 P CA 1.312 64.454 63.100 0.070 0.000 0.894 104 P CB -0.007 31.747 31.700 0.089 0.000 0.791 105 Y N 0.380 120.688 120.300 0.014 0.000 2.114 105 Y HA -0.146 4.404 4.550 -0.000 0.000 0.284 105 Y C 2.490 178.383 175.900 -0.010 0.000 1.143 105 Y CA 2.223 60.327 58.100 0.007 0.000 1.135 105 Y CB -1.170 37.296 38.460 0.010 0.000 0.980 105 Y HN -0.133 nan 8.280 nan 0.000 0.499 106 G N 0.005 108.785 108.800 -0.033 0.000 2.418 106 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 106 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 106 G C 1.765 176.558 174.900 -0.179 0.000 1.158 106 G CA 0.838 45.845 45.100 -0.154 0.000 0.771 106 G HN 0.365 nan 8.290 nan 0.000 0.545 107 R N 0.265 120.715 120.500 -0.084 0.000 2.075 107 R HA -0.021 4.318 4.340 -0.000 0.000 0.232 107 R C 2.158 178.410 176.300 -0.079 0.000 1.126 107 R CA 1.289 57.358 56.100 -0.050 0.000 0.963 107 R CB -0.261 30.037 30.300 -0.004 0.000 0.858 107 R HN 0.246 nan 8.270 nan 0.000 0.435 108 D N 0.372 120.702 120.400 -0.117 0.000 2.097 108 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 108 D C 1.876 178.080 176.300 -0.160 0.000 0.989 108 D CA 0.988 54.918 54.000 -0.117 0.000 0.827 108 D CB -0.287 40.446 40.800 -0.113 0.000 0.966 108 D HN 0.165 nan 8.370 nan 0.000 0.456 109 R N 0.970 121.288 120.500 -0.303 0.000 2.080 109 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 109 R C 1.360 177.572 176.300 -0.147 0.000 1.137 109 R CA 1.807 57.733 56.100 -0.290 0.000 0.943 109 R CB -0.169 29.849 30.300 -0.469 0.000 0.846 109 R HN 0.011 nan 8.270 nan 0.000 0.431 110 D N -0.340 119.972 120.400 -0.147 0.000 2.123 110 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 110 D C 1.788 178.167 176.300 0.131 0.000 0.992 110 D CA 1.643 55.630 54.000 -0.022 0.000 0.833 110 D CB -0.709 40.127 40.800 0.060 0.000 0.954 110 D HN 0.554 nan 8.370 nan 0.000 0.455 111 G N 0.641 109.474 108.800 0.055 0.000 2.440 111 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 111 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 111 G C 1.567 176.493 174.900 0.043 0.000 1.154 111 G CA 0.599 45.732 45.100 0.055 0.000 0.767 111 G HN 0.177 nan 8.290 nan 0.000 0.552 112 Q N 0.131 119.932 119.800 0.002 0.000 2.084 112 Q HA -0.037 4.303 4.340 -0.000 0.000 0.202 112 Q C 3.001 178.995 176.000 -0.009 0.000 0.978 112 Q CA 0.990 56.782 55.803 -0.019 0.000 0.844 112 Q CB -0.748 27.961 28.738 -0.048 0.000 0.898 112 Q HN 0.425 nan 8.270 nan 0.000 0.426 113 V N 1.244 121.165 119.914 0.012 0.000 2.307 113 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 113 V C 2.429 178.607 176.094 0.139 0.000 1.045 113 V CA 1.760 64.071 62.300 0.019 0.000 1.024 113 V CB -1.192 30.605 31.823 -0.044 0.000 0.651 113 V HN 0.320 nan 8.190 nan 0.000 0.449 114 A N 0.186 123.174 122.820 0.281 0.000 1.883 114 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 114 A C 2.437 180.070 177.584 0.081 0.000 1.186 114 A CA 2.447 54.623 52.037 0.231 0.000 0.624 114 A CB -0.949 18.166 19.000 0.192 0.000 0.822 114 A HN 0.596 nan 8.150 nan 0.000 0.444 115 A N -0.318 122.531 122.820 0.049 0.000 1.902 115 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 115 A C 2.511 180.090 177.584 -0.007 0.000 1.181 115 A CA 2.202 54.245 52.037 0.009 0.000 0.623 115 A CB -1.023 17.976 19.000 -0.001 0.000 0.818 115 A HN 1.120 nan 8.150 nan 0.000 0.443 116 A N -0.263 122.547 122.820 -0.017 0.000 1.902 116 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 116 A C 2.165 179.732 177.584 -0.028 0.000 1.181 116 A CA 1.505 53.514 52.037 -0.048 0.000 0.623 116 A CB -0.587 18.359 19.000 -0.091 0.000 0.818 116 A HN 0.479 nan 8.150 nan 0.000 0.443 117 L N -0.784 120.441 121.223 0.003 0.000 2.093 117 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 117 L C 2.611 179.481 176.870 -0.001 0.000 1.085 117 L CA 1.831 56.678 54.840 0.012 0.000 0.755 117 L CB -0.407 41.686 42.059 0.056 0.000 0.904 117 L HN 0.448 nan 8.230 nan 0.000 0.435 118 K N -0.240 120.158 120.400 -0.003 0.000 2.097 118 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 118 K C 1.993 178.585 176.600 -0.014 0.000 1.049 118 K CA 1.700 57.979 56.287 -0.012 0.000 0.933 118 K CB 0.002 32.493 32.500 -0.015 0.000 0.717 118 K HN 0.184 nan 8.250 nan 0.000 0.442 119 T N 0.424 114.969 114.554 -0.016 0.000 2.788 119 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 119 T C 1.631 176.321 174.700 -0.018 0.000 1.044 119 T CA 1.286 63.375 62.100 -0.019 0.000 1.139 119 T CB -0.159 68.694 68.868 -0.026 0.000 0.867 119 T HN 0.379 nan 8.240 nan 0.000 0.454 120 A N 0.335 123.144 122.820 -0.018 0.000 2.235 120 A HA 0.474 4.794 4.320 -0.000 0.000 0.208 120 A C 1.874 179.452 177.584 -0.010 0.000 1.172 120 A CA 0.844 52.871 52.037 -0.016 0.000 0.786 120 A CB -0.894 18.095 19.000 -0.018 0.000 0.804 120 A HN 0.729 nan 8.150 nan 0.000 0.479 121 G N -1.689 107.106 108.800 -0.010 0.000 2.160 121 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 121 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 121 G C 0.073 174.971 174.900 -0.004 0.000 1.008 121 G CA 0.336 45.432 45.100 -0.008 0.000 0.724 121 G HN 0.741 nan 8.290 nan 0.000 0.514 122 I N 0.753 121.321 120.570 -0.003 0.000 2.377 122 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 122 I C 1.097 177.210 176.117 -0.007 0.000 0.987 122 I CA -1.371 59.931 61.300 0.004 0.000 1.185 122 I CB 1.174 39.182 38.000 0.014 0.000 1.341 122 I HN 0.340 nan 8.210 nan 0.000 0.455 123 R N 3.072 123.564 120.500 -0.014 0.000 2.537 123 R HA 0.583 4.923 4.340 -0.000 0.000 0.280 123 R C 0.074 176.313 176.300 -0.101 0.000 1.058 123 R CA -0.054 56.011 56.100 -0.058 0.000 1.057 123 R CB 0.549 30.817 30.300 -0.053 0.000 0.973 123 R HN 0.876 nan 8.270 nan 0.000 0.438 124 A N 3.149 125.857 122.820 -0.187 0.000 2.319 124 A HA 0.482 4.802 4.320 -0.000 0.000 0.310 124 A C -0.732 176.511 177.584 -0.568 0.000 1.152 124 A CA -0.691 51.145 52.037 -0.335 0.000 0.783 124 A CB 1.342 20.199 19.000 -0.238 0.000 1.184 124 A HN 0.450 nan 8.150 nan 0.000 0.474 125 V N 3.435 122.849 119.914 -0.834 0.000 2.378 125 V HA 0.370 4.490 4.120 -0.000 0.000 0.288 125 V C -0.353 175.157 176.094 -0.974 0.000 1.016 125 V CA -0.322 61.428 62.300 -0.915 0.000 0.840 125 V CB 1.216 32.206 31.823 -1.389 0.000 0.994 125 V HN 0.940 nan 8.190 nan 0.000 0.431 126 Q N 5.589 124.889 119.800 -0.833 0.000 2.381 126 Q HA 0.670 5.010 4.340 -0.000 0.000 0.263 126 Q C -1.171 174.516 176.000 -0.522 0.000 1.030 126 Q CA -0.309 54.979 55.803 -0.860 0.000 0.772 126 Q CB 2.241 30.478 28.738 -0.834 0.000 1.232 126 Q HN 0.636 nan 8.270 nan 0.000 0.476 127 L N 0.720 121.721 121.223 -0.370 0.000 2.322 127 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 127 L C -0.645 176.085 176.870 -0.233 0.000 1.012 127 L CA -1.077 53.629 54.840 -0.224 0.000 0.815 127 L CB 1.352 43.395 42.059 -0.026 0.000 1.295 127 L HN 0.532 nan 8.230 nan 0.000 0.438 128 W N 0.740 122.036 121.300 -0.007 0.000 2.287 128 W HA 0.227 4.887 4.660 -0.000 0.000 0.313 128 W C 0.530 177.064 176.519 0.026 0.000 1.267 128 W CA 0.142 57.486 57.345 -0.002 0.000 1.201 128 W CB 1.209 30.646 29.460 -0.039 0.000 1.196 128 W HN 0.619 nan 8.180 nan 0.000 0.536 129 D N 0.002 120.597 120.400 0.325 0.000 2.212 129 D HA -0.147 4.493 4.640 -0.000 0.000 0.311 129 D C 1.760 178.186 176.300 0.210 0.000 1.091 129 D CA 0.203 54.337 54.000 0.223 0.000 0.910 129 D CB 0.244 41.160 40.800 0.192 0.000 1.707 129 D HN 0.518 nan 8.370 nan 0.000 0.522 130 Q N 0.436 120.385 119.800 0.249 0.000 2.482 130 Q HA 0.133 4.473 4.340 -0.000 0.000 0.209 130 Q C -0.141 175.971 176.000 0.186 0.000 0.961 130 Q CA 0.466 56.392 55.803 0.205 0.000 0.945 130 Q CB 0.319 29.176 28.738 0.199 0.000 1.012 130 Q HN 0.279 nan 8.270 nan 0.000 0.515 131 L N 0.769 122.100 121.223 0.181 0.000 2.362 131 L HA 0.308 4.648 4.340 -0.000 0.000 0.271 131 L C 0.683 177.569 176.870 0.027 0.000 1.002 131 L CA -0.740 54.183 54.840 0.139 0.000 0.818 131 L CB 1.890 44.028 42.059 0.133 0.000 1.298 131 L HN 0.064 nan 8.230 nan 0.000 0.420 132 L N 1.544 122.739 121.223 -0.047 0.000 2.083 132 L HA -0.054 4.285 4.340 -0.000 0.000 0.209 132 L C 0.235 176.677 176.870 -0.713 0.000 1.083 132 L CA 1.035 55.615 54.840 -0.432 0.000 0.752 132 L CB -0.276 41.379 42.059 -0.673 0.000 0.899 132 L HN 0.545 nan 8.230 nan 0.000 0.433 133 H N -1.084 117.937 119.070 -0.081 0.000 2.689 133 H HA 0.274 4.830 4.556 -0.000 0.000 0.346 133 H C -0.244 175.047 175.328 -0.061 0.000 1.037 133 H CA -0.886 55.083 56.048 -0.131 0.000 1.234 133 H CB 1.613 31.226 29.762 -0.249 0.000 1.572 133 H HN -0.006 nan 8.280 nan 0.000 0.524 134 S N 2.693 118.237 115.700 -0.260 0.000 2.584 134 S HA 0.096 4.566 4.470 -0.000 0.000 0.270 134 S C -1.738 172.348 174.600 -0.858 0.000 1.346 134 S CA -0.957 56.708 58.200 -0.891 0.000 1.018 134 S CB 1.480 63.916 63.200 -1.272 0.000 0.899 134 S HN 0.306 nan 8.310 nan 0.000 0.542 135 P HA -0.070 nan 4.420 nan 0.000 0.218 135 P C 0.555 177.605 177.300 -0.416 0.000 1.148 135 P CA 1.119 63.416 63.100 -1.338 0.000 0.822 135 P CB -0.022 30.606 31.700 -1.787 0.000 0.784 136 D N -1.425 118.725 120.400 -0.417 0.000 2.347 136 D HA -0.095 4.545 4.640 -0.000 0.000 0.215 136 D C 1.868 178.122 176.300 -0.077 0.000 0.976 136 D CA 0.676 54.612 54.000 -0.107 0.000 0.884 136 D CB -0.152 40.612 40.800 -0.060 0.000 0.915 136 D HN 0.316 nan 8.370 nan 0.000 0.526 137 Q N 0.107 119.833 119.800 -0.123 0.000 2.250 137 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 137 Q C 0.227 176.196 176.000 -0.052 0.000 0.941 137 Q CA 0.426 56.179 55.803 -0.084 0.000 0.872 137 Q CB 0.673 29.352 28.738 -0.098 0.000 0.965 137 Q HN 0.068 nan 8.270 nan 0.000 0.480 138 I N 2.391 122.992 120.570 0.052 0.000 2.282 138 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 138 I C -0.239 176.002 176.117 0.207 0.000 1.090 138 I CA -0.091 61.276 61.300 0.112 0.000 1.231 138 I CB -0.055 38.061 38.000 0.193 0.000 1.434 138 I HN 0.156 nan 8.210 nan 0.000 0.487 139 L N 3.325 124.606 121.223 0.098 0.000 2.376 139 L HA 0.638 4.978 4.340 -0.000 0.000 0.258 139 L C 0.690 177.498 176.870 -0.103 0.000 1.013 139 L CA -0.677 54.131 54.840 -0.053 0.000 0.822 139 L CB 2.646 44.654 42.059 -0.085 0.000 1.388 139 L HN 0.643 nan 8.230 nan 0.000 0.413 140 S N -0.415 115.068 115.700 -0.361 0.000 2.641 140 S HA 0.204 4.674 4.470 -0.000 0.000 0.261 140 S C 1.194 175.732 174.600 -0.103 0.000 1.257 140 S CA 0.010 58.057 58.200 -0.256 0.000 0.983 140 S CB 1.084 64.051 63.200 -0.388 0.000 0.990 140 S HN 0.824 nan 8.310 nan 0.000 0.572 141 G N -0.003 108.766 108.800 -0.051 0.000 2.479 141 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 141 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 141 G C 1.009 175.882 174.900 -0.044 0.000 1.115 141 G CA 0.666 45.745 45.100 -0.036 0.000 0.757 141 G HN 0.694 nan 8.290 nan 0.000 0.560 142 S N -0.263 115.400 115.700 -0.062 0.000 2.577 142 S HA 0.377 4.846 4.470 -0.000 0.000 0.219 142 S C 1.638 176.200 174.600 -0.064 0.000 0.962 142 S CA 0.479 58.648 58.200 -0.052 0.000 0.921 142 S CB 0.296 63.468 63.200 -0.046 0.000 0.789 142 S HN 1.131 nan 8.310 nan 0.000 0.497 143 G N 2.446 111.195 108.800 -0.084 0.000 2.160 143 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 143 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 143 G C -0.312 174.518 174.900 -0.117 0.000 1.008 143 G CA -0.299 44.751 45.100 -0.085 0.000 0.724 143 G HN 0.457 nan 8.290 nan 0.000 0.514 144 N N 0.580 119.175 118.700 -0.175 0.000 2.404 144 N HA 0.600 5.340 4.740 -0.000 0.000 0.297 144 N C -2.401 172.899 175.510 -0.350 0.000 1.163 144 N CA -1.418 51.509 53.050 -0.204 0.000 0.864 144 N CB 2.362 40.776 38.487 -0.123 0.000 1.247 144 N HN 0.127 nan 8.380 nan 0.000 0.510 145 P HA 0.156 nan 4.420 nan 0.000 0.274 145 P C -1.003 176.209 177.300 -0.148 0.000 1.256 145 P CA 0.094 62.941 63.100 -0.421 0.000 0.795 145 P CB 0.537 31.714 31.700 -0.872 0.000 1.038 146 Y N -0.451 119.983 120.300 0.224 0.000 2.342 146 Y HA 0.229 4.778 4.550 -0.000 0.000 0.334 146 Y C 1.616 177.752 175.900 0.393 0.000 1.067 146 Y CA 0.190 58.494 58.100 0.339 0.000 1.128 146 Y CB 1.464 40.216 38.460 0.487 0.000 1.200 146 Y HN 0.333 nan 8.280 nan 0.000 0.464 147 S N -0.208 115.800 115.700 0.514 0.000 2.603 147 S HA 0.346 4.816 4.470 -0.000 0.000 0.232 147 S C -0.419 174.479 174.600 0.497 0.000 1.016 147 S CA -0.253 58.195 58.200 0.414 0.000 0.976 147 S CB -0.181 63.153 63.200 0.224 0.000 0.921 147 S HN 0.237 nan 8.310 nan 0.000 0.516 148 V N 2.347 122.570 119.914 0.515 0.000 2.588 148 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 148 V C 0.520 176.657 176.094 0.072 0.000 1.042 148 V CA -0.926 61.563 62.300 0.314 0.000 0.877 148 V CB 1.262 33.220 31.823 0.226 0.000 0.996 148 V HN 0.328 nan 8.190 nan 0.000 0.425 149 Y N 4.505 124.476 120.300 -0.548 0.000 2.089 149 Y HA -0.078 4.472 4.550 -0.000 0.000 0.282 149 Y C 2.138 177.733 175.900 -0.508 0.000 1.139 149 Y CA 2.462 59.859 58.100 -1.171 0.000 1.123 149 Y CB -0.681 36.860 38.460 -1.532 0.000 0.980 149 Y HN 0.744 nan 8.280 nan 0.000 0.493 150 G N 0.608 109.234 108.800 -0.291 0.000 2.808 150 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.225 150 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.225 150 G C -0.469 174.281 174.900 -0.250 0.000 1.210 150 G CA 1.613 46.597 45.100 -0.192 0.000 0.777 150 G HN 0.405 nan 8.290 nan 0.000 0.640 151 P HA -0.062 nan 4.420 nan 0.000 0.217 151 P C 1.643 178.541 177.300 -0.671 0.000 1.150 151 P CA 0.896 63.865 63.100 -0.218 0.000 0.832 151 P CB -0.148 31.603 31.700 0.085 0.000 0.787 152 F N -0.633 118.737 119.950 -0.967 0.000 2.102 152 F HA -0.162 4.365 4.527 0.000 0.000 0.298 152 F C 2.254 177.608 175.800 -0.743 0.000 1.105 152 F CA 1.307 58.624 58.000 -1.138 0.000 1.239 152 F CB -0.886 37.776 39.000 -0.562 0.000 0.991 152 F HN -0.017 nan 8.300 nan 0.000 0.474 153 W N 2.255 123.069 121.300 -0.811 0.000 2.358 153 W HA -0.268 4.392 4.660 0.000 0.000 0.303 153 W C 2.268 178.533 176.519 -0.423 0.000 1.208 153 W CA 1.899 58.815 57.345 -0.715 0.000 1.274 153 W CB -0.583 28.264 29.460 -1.021 0.000 1.138 153 W HN 0.135 nan 8.180 nan 0.000 0.515 154 K N 0.675 120.703 120.400 -0.620 0.000 2.103 154 K HA -0.281 4.039 4.320 -0.000 0.000 0.207 154 K C 2.031 178.304 176.600 -0.544 0.000 1.048 154 K CA 1.831 57.773 56.287 -0.574 0.000 0.930 154 K CB -0.576 31.743 32.500 -0.302 0.000 0.716 154 K HN 0.061 nan 8.250 nan 0.000 0.444 155 N N 0.331 118.704 118.700 -0.546 0.000 2.083 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 155 N C 1.670 176.858 175.510 -0.536 0.000 1.047 155 N CA 1.502 54.272 53.050 -0.467 0.000 0.845 155 N CB -0.674 37.551 38.487 -0.437 0.000 1.025 155 N HN 0.354 nan 8.380 nan 0.000 0.428 156 W N 2.244 123.011 121.300 -0.888 0.000 2.304 156 W HA -0.218 4.442 4.660 0.000 0.000 0.315 156 W C 2.608 178.702 176.519 -0.708 0.000 1.233 156 W CA 2.193 59.035 57.345 -0.838 0.000 1.261 156 W CB -0.433 28.513 29.460 -0.856 0.000 1.150 156 W HN 0.243 nan 8.180 nan 0.000 0.494 157 Q N 0.394 119.871 119.800 -0.538 0.000 2.096 157 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 157 Q C 2.085 177.798 176.000 -0.477 0.000 0.982 157 Q CA 2.215 57.612 55.803 -0.676 0.000 0.850 157 Q CB -0.826 27.107 28.738 -1.343 0.000 0.901 157 Q HN 0.358 nan 8.270 nan 0.000 0.422 158 A N 0.668 123.210 122.820 -0.463 0.000 2.167 158 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 158 A C 0.796 178.173 177.584 -0.345 0.000 1.151 158 A CA 0.070 51.905 52.037 -0.337 0.000 0.735 158 A CB -0.006 18.822 19.000 -0.286 0.000 0.802 158 A HN 0.290 nan 8.150 nan 0.000 0.467 159 Q N 1.197 120.696 119.800 -0.502 0.000 2.332 159 Q HA 0.211 4.551 4.340 -0.000 0.000 0.263 159 Q C -2.440 173.344 176.000 -0.361 0.000 0.979 159 Q CA -1.931 53.551 55.803 -0.536 0.000 0.885 159 Q CB 0.323 28.430 28.738 -1.051 0.000 1.218 159 Q HN 0.305 nan 8.270 nan 0.000 0.405 160 P HA 0.004 nan 4.420 nan 0.000 0.267 160 P C -0.437 176.786 177.300 -0.129 0.000 1.205 160 P CA 0.109 63.126 63.100 -0.139 0.000 0.765 160 P CB 0.628 32.267 31.700 -0.101 0.000 0.828 161 K N 4.759 125.048 120.400 -0.185 0.000 2.234 161 K HA 0.323 4.643 4.320 -0.000 0.000 0.282 161 K C -1.624 174.849 176.600 -0.211 0.000 1.039 161 K CA -1.541 54.537 56.287 -0.348 0.000 0.928 161 K CB 0.251 32.465 32.500 -0.475 0.000 1.039 161 K HN 0.466 nan 8.250 nan 0.000 0.470 162 P HA 0.131 nan 4.420 nan 0.000 0.276 162 P C -0.387 176.882 177.300 -0.052 0.000 1.244 162 P CA -0.306 62.715 63.100 -0.132 0.000 0.801 162 P CB 0.684 32.291 31.700 -0.154 0.000 1.006 163 T N -1.711 112.842 114.554 -0.002 0.000 2.952 163 T HA 0.532 4.882 4.350 -0.000 0.000 0.286 163 T C -2.651 172.073 174.700 0.040 0.000 1.024 163 T CA -2.455 59.672 62.100 0.044 0.000 1.029 163 T CB 0.397 69.293 68.868 0.047 0.000 1.094 163 T HN 0.156 nan 8.240 nan 0.000 0.515 164 P HA 0.246 nan 4.420 nan 0.000 0.266 164 P C -0.088 177.230 177.300 0.030 0.000 1.195 164 P CA -0.526 62.604 63.100 0.050 0.000 0.768 164 P CB 0.295 32.031 31.700 0.059 0.000 0.838 165 V N -0.102 119.825 119.914 0.022 0.000 3.109 165 V HA 0.797 4.917 4.120 -0.000 0.000 0.317 165 V C 0.205 176.298 176.094 -0.003 0.000 1.074 165 V CA -1.326 60.978 62.300 0.007 0.000 1.033 165 V CB 0.731 32.556 31.823 0.003 0.000 1.111 165 V HN 0.601 nan 8.190 nan 0.000 0.458 166 A N 0.944 123.756 122.820 -0.014 0.000 2.407 166 A HA 0.536 4.856 4.320 -0.000 0.000 0.248 166 A C 0.567 178.127 177.584 -0.041 0.000 1.082 166 A CA -0.052 51.972 52.037 -0.023 0.000 0.785 166 A CB -0.317 18.669 19.000 -0.023 0.000 1.020 166 A HN 1.001 nan 8.150 nan 0.000 0.489 167 T N 4.780 119.308 114.554 -0.043 0.000 2.794 167 T HA 0.428 4.778 4.350 -0.000 0.000 0.296 167 T C -2.141 172.513 174.700 -0.076 0.000 0.949 167 T CA -0.428 61.633 62.100 -0.065 0.000 1.101 167 T CB 0.470 69.304 68.868 -0.056 0.000 0.905 167 T HN 0.602 nan 8.240 nan 0.000 0.516 168 P HA 0.221 nan 4.420 nan 0.000 0.271 168 P C -0.401 176.846 177.300 -0.088 0.000 1.216 168 P CA -0.267 62.774 63.100 -0.098 0.000 0.776 168 P CB 0.623 32.247 31.700 -0.127 0.000 0.881 169 T N -2.473 112.045 114.554 -0.060 0.000 2.865 169 T HA 0.337 4.687 4.350 -0.000 0.000 0.294 169 T C -0.371 174.312 174.700 -0.028 0.000 1.119 169 T CA -0.925 61.147 62.100 -0.046 0.000 1.007 169 T CB 1.014 69.860 68.868 -0.037 0.000 1.225 169 T HN 0.451 nan 8.240 nan 0.000 0.515 170 E N 0.694 120.884 120.200 -0.018 0.000 2.252 170 E HA -0.146 4.204 4.350 -0.000 0.000 0.218 170 E C -0.355 176.247 176.600 0.004 0.000 1.253 170 E CA 0.084 56.481 56.400 -0.005 0.000 0.705 170 E CB -1.589 28.107 29.700 -0.006 0.000 1.172 170 E HN 0.511 nan 8.360 nan 0.000 0.369 171 L N 0.000 121.231 121.223 0.012 0.000 2.439 171 L HA 0.385 4.725 4.340 -0.000 0.000 0.261 171 L C 0.767 177.661 176.870 0.041 0.000 1.153 171 L CA -0.731 54.129 54.840 0.034 0.000 0.808 171 L CB 0.728 42.826 42.059 0.065 0.000 1.126 171 L HN -0.089 nan 8.230 nan 0.000 0.460 172 V N 0.668 120.609 119.914 0.046 0.000 2.398 172 V HA 0.192 4.312 4.120 -0.000 0.000 0.286 172 V C -0.099 176.027 176.094 0.053 0.000 1.026 172 V CA -0.571 61.754 62.300 0.041 0.000 0.868 172 V CB 1.541 33.383 31.823 0.032 0.000 0.982 172 V HN 0.658 nan 8.190 nan 0.000 0.443 173 D N 2.931 123.360 120.400 0.048 0.000 2.383 173 D HA 0.382 5.022 4.640 -0.000 0.000 0.248 173 D C 0.006 176.329 176.300 0.039 0.000 1.170 173 D CA -0.189 53.842 54.000 0.051 0.000 0.977 173 D CB 1.017 41.844 40.800 0.046 0.000 1.120 173 D HN 0.354 nan 8.370 nan 0.000 0.481 174 L N 0.886 122.130 121.223 0.035 0.000 2.436 174 L HA 0.193 4.533 4.340 -0.000 0.000 0.265 174 L C 0.943 177.826 176.870 0.022 0.000 1.168 174 L CA -0.394 54.462 54.840 0.027 0.000 0.815 174 L CB 0.888 42.961 42.059 0.022 0.000 1.109 174 L HN 0.434 nan 8.230 nan 0.000 0.462 175 S N 0.954 116.665 115.700 0.018 0.000 2.693 175 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 175 S C -2.035 172.572 174.600 0.012 0.000 1.192 175 S CA -1.278 56.931 58.200 0.015 0.000 0.994 175 S CB 1.514 64.722 63.200 0.014 0.000 1.012 175 S HN 0.359 nan 8.310 nan 0.000 0.550 176 P HA -0.094 nan 4.420 nan 0.000 0.215 176 P C 1.196 178.501 177.300 0.008 0.000 1.153 176 P CA 1.324 64.430 63.100 0.009 0.000 0.853 176 P CB 0.016 31.721 31.700 0.008 0.000 0.788 177 E N -0.534 119.671 120.200 0.008 0.000 2.110 177 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 177 E C 2.152 178.756 176.600 0.007 0.000 0.988 177 E CA 1.026 57.430 56.400 0.007 0.000 0.804 177 E CB -0.310 29.394 29.700 0.007 0.000 0.745 177 E HN 0.439 nan 8.360 nan 0.000 0.458 178 Q N 0.397 120.202 119.800 0.009 0.000 2.046 178 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 178 Q C 2.402 178.406 176.000 0.006 0.000 0.975 178 Q CA 0.900 56.708 55.803 0.008 0.000 0.836 178 Q CB -0.062 28.683 28.738 0.012 0.000 0.896 178 Q HN 0.284 nan 8.270 nan 0.000 0.428 179 L N 0.146 121.373 121.223 0.007 0.000 2.127 179 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 179 L C 2.315 179.187 176.870 0.003 0.000 1.089 179 L CA 1.120 55.963 54.840 0.005 0.000 0.757 179 L CB -0.595 41.468 42.059 0.007 0.000 0.899 179 L HN 0.262 nan 8.230 nan 0.000 0.434 180 T N -0.270 114.287 114.554 0.004 0.000 2.857 180 T HA -0.077 4.272 4.350 -0.000 0.000 0.266 180 T C 2.005 176.705 174.700 0.001 0.000 1.048 180 T CA 1.123 63.225 62.100 0.003 0.000 1.139 180 T CB -0.125 68.745 68.868 0.003 0.000 0.874 180 T HN 0.440 nan 8.240 nan 0.000 0.455 181 A N 1.367 124.188 122.820 0.001 0.000 2.015 181 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 181 A C 2.409 179.991 177.584 -0.003 0.000 1.163 181 A CA 1.502 53.538 52.037 -0.000 0.000 0.646 181 A CB -0.719 18.281 19.000 0.001 0.000 0.806 181 A HN 0.595 nan 8.150 nan 0.000 0.448 182 I N -4.691 115.876 120.570 -0.004 0.000 4.057 182 I HA 0.593 4.763 4.170 -0.000 0.000 0.334 182 I C 2.137 178.249 176.117 -0.008 0.000 1.308 182 I CA 0.105 61.400 61.300 -0.008 0.000 1.125 182 I CB -1.277 36.716 38.000 -0.011 0.000 1.034 182 I HN 0.453 nan 8.210 nan 0.000 0.401 183 A N 2.025 124.843 122.820 -0.004 0.000 1.923 183 A HA -0.207 4.113 4.320 -0.000 0.000 0.222 183 A C 0.706 178.287 177.584 -0.003 0.000 1.258 183 A CA 2.842 54.877 52.037 -0.002 0.000 0.670 183 A CB -2.400 16.600 19.000 -0.000 0.000 0.834 183 A HN 0.586 nan 8.150 nan 0.000 0.470 184 P HA -0.080 nan 4.420 nan 0.000 0.221 184 P C 1.037 178.332 177.300 -0.008 0.000 1.145 184 P CA 0.866 63.963 63.100 -0.005 0.000 0.795 184 P CB -0.091 31.605 31.700 -0.005 0.000 0.775 185 L N -2.548 118.668 121.223 -0.012 0.000 2.529 185 L HA 0.108 4.448 4.340 -0.000 0.000 0.223 185 L C 0.932 177.792 176.870 -0.016 0.000 1.113 185 L CA 0.045 54.873 54.840 -0.019 0.000 0.861 185 L CB -0.267 41.774 42.059 -0.030 0.000 1.012 185 L HN -0.072 nan 8.230 nan 0.000 0.461 186 L N 0.138 121.356 121.223 -0.009 0.000 2.344 186 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 186 L C -0.285 176.589 176.870 0.006 0.000 1.035 186 L CA -0.672 54.167 54.840 -0.002 0.000 0.807 186 L CB 1.584 43.642 42.059 -0.001 0.000 1.237 186 L HN -0.070 nan 8.230 nan 0.000 0.442 187 L N 0.914 122.146 121.223 0.015 0.000 2.350 187 L HA 0.178 4.518 4.340 -0.000 0.000 0.275 187 L C 1.366 178.246 176.870 0.016 0.000 1.099 187 L CA -0.174 54.678 54.840 0.020 0.000 0.808 187 L CB 1.895 43.974 42.059 0.033 0.000 1.149 187 L HN 0.859 nan 8.230 nan 0.000 0.442 188 S N 1.116 116.824 115.700 0.014 0.000 2.447 188 S HA -0.052 4.418 4.470 -0.000 0.000 0.233 188 S C 0.312 174.919 174.600 0.011 0.000 1.006 188 S CA 0.420 58.627 58.200 0.011 0.000 0.957 188 S CB -0.237 62.969 63.200 0.010 0.000 0.773 188 S HN 0.789 nan 8.310 nan 0.000 0.507 189 E N -0.575 119.633 120.200 0.013 0.000 2.416 189 E HA 0.503 4.853 4.350 -0.000 0.000 0.280 189 E C -1.469 175.138 176.600 0.012 0.000 1.055 189 E CA -1.213 55.193 56.400 0.010 0.000 0.825 189 E CB 0.382 30.087 29.700 0.008 0.000 1.312 189 E HN 0.052 nan 8.360 nan 0.000 0.452 190 L N 2.078 123.302 121.223 0.002 0.000 2.477 190 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 190 L C -2.393 174.479 176.870 0.003 0.000 1.157 190 L CA -1.043 53.794 54.840 -0.006 0.000 0.889 190 L CB -0.134 41.904 42.059 -0.036 0.000 1.158 190 L HN 0.435 nan 8.230 nan 0.000 0.473 191 P HA 0.213 nan 4.420 nan 0.000 0.271 191 P C -0.783 176.533 177.300 0.027 0.000 1.218 191 P CA -0.359 62.761 63.100 0.032 0.000 0.780 191 P CB 0.388 32.120 31.700 0.054 0.000 0.901 192 T N -0.338 114.239 114.554 0.038 0.000 2.849 192 T HA 0.129 4.479 4.350 -0.000 0.000 0.284 192 T C 1.102 175.849 174.700 0.078 0.000 1.004 192 T CA -0.667 61.459 62.100 0.044 0.000 1.021 192 T CB 0.362 69.257 68.868 0.045 0.000 1.013 192 T HN 0.157 nan 8.240 nan 0.000 0.527 193 L N 1.274 122.552 121.223 0.092 0.000 2.013 193 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 193 L C 2.752 179.741 176.870 0.199 0.000 1.073 193 L CA 2.173 57.106 54.840 0.155 0.000 0.753 193 L CB -0.934 41.224 42.059 0.166 0.000 0.890 193 L HN 0.934 nan 8.230 nan 0.000 0.432 194 K N -1.431 119.052 120.400 0.138 0.000 2.057 194 K HA -0.274 4.046 4.320 -0.000 0.000 0.207 194 K C 2.113 178.764 176.600 0.085 0.000 1.049 194 K CA 1.658 58.010 56.287 0.108 0.000 0.931 194 K CB -0.638 31.908 32.500 0.076 0.000 0.714 194 K HN 0.308 nan 8.250 nan 0.000 0.440 195 Q N 1.450 121.298 119.800 0.080 0.000 2.170 195 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 195 Q C 1.919 177.966 176.000 0.078 0.000 0.976 195 Q CA 1.286 57.127 55.803 0.063 0.000 0.858 195 Q CB -0.169 28.602 28.738 0.055 0.000 0.907 195 Q HN 0.486 nan 8.270 nan 0.000 0.433 196 L N -1.559 119.747 121.223 0.138 0.000 2.478 196 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 196 L C 1.140 178.067 176.870 0.095 0.000 1.140 196 L CA 0.567 55.528 54.840 0.203 0.000 0.842 196 L CB -0.202 42.078 42.059 0.369 0.000 0.953 196 L HN 0.511 nan 8.230 nan 0.000 0.452 197 G N -0.578 108.231 108.800 0.014 0.000 2.130 197 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 197 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 197 G C -0.118 174.560 174.900 -0.371 0.000 0.999 197 G CA -0.480 44.504 45.100 -0.193 0.000 0.686 197 G HN 0.165 nan 8.290 nan 0.000 0.515 198 F N 0.981 120.964 119.950 0.055 0.000 2.556 198 F HA 0.687 5.214 4.527 -0.000 0.000 0.327 198 F C 0.087 175.946 175.800 0.099 0.000 1.059 198 F CA -0.468 57.576 58.000 0.074 0.000 0.953 198 F CB 1.832 40.876 39.000 0.073 0.000 1.227 198 F HN 0.189 nan 8.300 nan 0.000 0.478 199 D N 0.356 120.964 120.400 0.346 0.000 2.934 199 D HA 0.181 4.821 4.640 -0.000 0.000 0.230 199 D C -1.875 174.652 176.300 0.379 0.000 1.204 199 D CA -0.411 53.751 54.000 0.270 0.000 0.873 199 D CB 2.289 43.188 40.800 0.164 0.000 1.645 199 D HN 0.730 nan 8.370 nan 0.000 0.502 200 W N 2.939 124.288 121.300 0.082 0.000 3.439 200 W HA 0.300 4.960 4.660 -0.000 0.000 0.323 200 W C -1.751 174.763 176.519 -0.007 0.000 1.174 200 W CA -0.611 56.756 57.345 0.036 0.000 1.224 200 W CB 2.217 31.699 29.460 0.037 0.000 1.348 200 W HN 0.526 nan 8.180 nan 0.000 0.498 201 D N 2.043 121.921 120.400 -0.870 0.000 2.563 201 D HA 0.193 4.833 4.640 -0.000 0.000 0.256 201 D C 1.410 177.128 176.300 -0.970 0.000 1.400 201 D CA 0.533 54.116 54.000 -0.695 0.000 0.800 201 D CB 0.353 40.950 40.800 -0.339 0.000 1.145 201 D HN 0.447 nan 8.370 nan 0.000 0.501 202 G N -0.371 107.269 108.800 -1.932 0.000 2.985 202 G HA2 0.468 4.428 3.960 -0.000 0.000 0.209 202 G HA3 0.468 4.428 3.960 -0.000 0.000 0.209 202 G C 0.994 175.546 174.900 -0.580 0.000 1.165 202 G CA 0.257 44.600 45.100 -1.262 0.000 0.776 202 G HN 0.573 nan 8.290 nan 0.000 0.541 203 G N -0.744 107.678 108.800 -0.631 0.000 2.681 203 G HA2 0.039 3.999 3.960 -0.000 0.000 0.220 203 G HA3 0.039 3.999 3.960 -0.000 0.000 0.220 203 G C -0.577 174.029 174.900 -0.491 0.000 1.353 203 G CA -0.456 44.414 45.100 -0.384 0.000 0.872 203 G HN 0.574 nan 8.290 nan 0.000 0.557 204 F N -1.494 118.614 119.950 0.265 0.000 2.686 204 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 204 F C -1.662 174.167 175.800 0.048 0.000 1.128 204 F CA -1.256 56.871 58.000 0.211 0.000 0.946 204 F CB 1.471 40.623 39.000 0.254 0.000 1.336 204 F HN 0.307 nan 8.300 nan 0.000 0.457 205 P HA 0.028 nan 4.420 nan 0.000 0.222 205 P C -0.671 176.581 177.300 -0.079 0.000 1.153 205 P CA 0.840 63.802 63.100 -0.229 0.000 0.798 205 P CB 0.708 32.023 31.700 -0.641 0.000 0.796 206 V N -0.423 119.535 119.914 0.074 0.000 2.817 206 V HA 0.206 4.326 4.120 -0.000 0.000 0.303 206 V C -1.103 175.106 176.094 0.192 0.000 1.151 206 V CA -0.980 61.379 62.300 0.098 0.000 0.929 206 V CB 2.081 33.936 31.823 0.054 0.000 1.030 206 V HN -0.249 nan 8.190 nan 0.000 0.427 207 E N 5.917 126.197 120.200 0.133 0.000 2.481 207 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 207 E C -2.392 174.147 176.600 -0.102 0.000 0.992 207 E CA -1.267 55.163 56.400 0.050 0.000 0.938 207 E CB 0.267 29.990 29.700 0.040 0.000 0.933 207 E HN 0.537 nan 8.360 nan 0.000 0.453 208 P HA 0.185 nan 4.420 nan 0.000 0.268 208 P C -0.170 176.865 177.300 -0.441 0.000 1.208 208 P CA 0.567 63.195 63.100 -0.786 0.000 0.777 208 P CB 0.551 31.663 31.700 -0.981 0.000 0.875 209 G N 0.929 109.465 108.800 -0.439 0.000 2.617 209 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 209 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 209 G C 0.518 175.362 174.900 -0.094 0.000 1.214 209 G CA -0.152 44.813 45.100 -0.225 0.000 0.796 209 G HN 0.506 nan 8.290 nan 0.000 0.654 210 E N -0.295 119.869 120.200 -0.060 0.000 2.038 210 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 210 E C 2.480 179.079 176.600 -0.002 0.000 1.000 210 E CA 2.226 58.621 56.400 -0.008 0.000 0.803 210 E CB -0.161 29.531 29.700 -0.013 0.000 0.750 210 E HN 0.600 nan 8.360 nan 0.000 0.448 211 T N 0.612 115.153 114.554 -0.021 0.000 2.684 211 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 211 T C 1.851 176.550 174.700 -0.002 0.000 1.036 211 T CA 1.569 63.661 62.100 -0.013 0.000 1.148 211 T CB -0.370 68.484 68.868 -0.023 0.000 0.863 211 T HN 0.366 nan 8.240 nan 0.000 0.436 212 A N 1.197 124.011 122.820 -0.011 0.000 1.930 212 A HA 0.230 4.549 4.320 -0.000 0.000 0.217 212 A C 2.622 180.223 177.584 0.029 0.000 1.175 212 A CA 1.724 53.764 52.037 0.005 0.000 0.627 212 A CB -1.003 17.992 19.000 -0.008 0.000 0.815 212 A HN 0.507 nan 8.150 nan 0.000 0.443 213 A N -0.345 122.500 122.820 0.042 0.000 1.877 213 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 213 A C 2.259 179.880 177.584 0.062 0.000 1.186 213 A CA 1.842 53.922 52.037 0.072 0.000 0.620 213 A CB -0.925 18.135 19.000 0.101 0.000 0.822 213 A HN 0.434 nan 8.150 nan 0.000 0.443 214 I N -0.307 120.293 120.570 0.051 0.000 2.286 214 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 214 I C 3.042 179.182 176.117 0.040 0.000 1.115 214 I CA 1.002 62.331 61.300 0.048 0.000 1.392 214 I CB -1.787 36.234 38.000 0.036 0.000 1.065 214 I HN 0.602 nan 8.210 nan 0.000 0.418 215 A N 0.470 123.309 122.820 0.031 0.000 1.898 215 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 215 A C 2.292 179.896 177.584 0.033 0.000 1.181 215 A CA 1.949 54.001 52.037 0.026 0.000 0.620 215 A CB -0.615 18.397 19.000 0.019 0.000 0.819 215 A HN 0.481 nan 8.150 nan 0.000 0.442 216 R N -0.207 120.315 120.500 0.037 0.000 2.066 216 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 216 R C 1.887 178.220 176.300 0.055 0.000 1.131 216 R CA 1.760 57.884 56.100 0.040 0.000 0.955 216 R CB -1.046 29.268 30.300 0.023 0.000 0.851 216 R HN 0.408 nan 8.270 nan 0.000 0.432 217 L N 0.919 122.173 121.223 0.053 0.000 2.012 217 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 217 L C 2.035 178.939 176.870 0.058 0.000 1.073 217 L CA 2.003 56.881 54.840 0.062 0.000 0.748 217 L CB -0.658 41.451 42.059 0.084 0.000 0.891 217 L HN 0.352 nan 8.230 nan 0.000 0.431 218 Q N -0.696 119.128 119.800 0.041 0.000 2.084 218 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 218 Q C 2.147 178.151 176.000 0.006 0.000 0.978 218 Q CA 2.008 57.821 55.803 0.018 0.000 0.844 218 Q CB -0.157 28.590 28.738 0.015 0.000 0.898 218 Q HN 0.646 nan 8.270 nan 0.000 0.426 219 E N -0.058 120.158 120.200 0.027 0.000 2.072 219 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 219 E C 1.638 178.249 176.600 0.017 0.000 0.985 219 E CA 0.853 57.265 56.400 0.020 0.000 0.801 219 E CB -0.121 29.601 29.700 0.037 0.000 0.750 219 E HN 0.237 nan 8.360 nan 0.000 0.452 220 F N 1.022 120.901 119.950 -0.119 0.000 2.075 220 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 220 F C 2.056 177.718 175.800 -0.231 0.000 1.113 220 F CA 1.178 59.067 58.000 -0.185 0.000 1.218 220 F CB -0.399 38.442 39.000 -0.265 0.000 0.984 220 F HN 0.003 nan 8.300 nan 0.000 0.472 221 C N 0.602 119.766 119.300 -0.226 0.000 2.449 221 C HA -0.090 4.370 4.460 -0.000 0.000 0.283 221 C C 2.065 176.911 174.990 -0.240 0.000 1.453 221 C CA 1.048 59.878 59.018 -0.314 0.000 1.779 221 C CB -1.579 26.066 27.740 -0.158 0.000 1.779 221 C HN 0.481 nan 8.230 nan 0.000 0.546 222 D N -0.644 119.648 120.400 -0.179 0.000 2.271 222 D HA 0.028 4.668 4.640 -0.000 0.000 0.206 222 D C 2.467 178.677 176.300 -0.149 0.000 0.967 222 D CA 0.802 54.724 54.000 -0.129 0.000 0.867 222 D CB 0.233 40.988 40.800 -0.076 0.000 0.960 222 D HN 0.329 nan 8.370 nan 0.000 0.509 223 R N -0.921 119.456 120.500 -0.204 0.000 5.072 223 R HA 0.365 4.705 4.340 -0.000 0.000 0.116 223 R C 1.842 177.984 176.300 -0.263 0.000 1.152 223 R CA 0.714 56.704 56.100 -0.182 0.000 0.887 223 R CB -1.047 29.189 30.300 -0.106 0.000 1.367 223 R HN -0.008 nan 8.270 nan 0.000 0.403 224 A N 1.692 124.343 122.820 -0.283 0.000 1.954 224 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 224 A C 2.254 179.527 177.584 -0.517 0.000 1.199 224 A CA 2.431 54.290 52.037 -0.296 0.000 0.657 224 A CB -1.113 17.808 19.000 -0.132 0.000 0.823 224 A HN 0.206 nan 8.150 nan 0.000 0.463 225 I N -0.449 119.475 120.570 -1.077 0.000 2.423 225 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 225 I C 2.728 178.661 176.117 -0.306 0.000 1.151 225 I CA 1.355 62.070 61.300 -0.974 0.000 1.421 225 I CB -1.263 36.052 38.000 -1.141 0.000 1.079 225 I HN 0.616 nan 8.210 nan 0.000 0.431 226 A N -0.803 121.875 122.820 -0.236 0.000 2.019 226 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 226 A C 1.746 179.320 177.584 -0.016 0.000 1.164 226 A CA 1.812 53.791 52.037 -0.098 0.000 0.644 226 A CB -0.487 18.454 19.000 -0.098 0.000 0.805 226 A HN 0.664 nan 8.150 nan 0.000 0.449 227 D N -2.479 117.920 120.400 -0.002 0.000 2.395 227 D HA 0.074 4.714 4.640 -0.000 0.000 0.213 227 D C 0.952 177.327 176.300 0.125 0.000 1.110 227 D CA -0.209 53.826 54.000 0.057 0.000 0.835 227 D CB -0.131 40.698 40.800 0.049 0.000 0.965 227 D HN 0.447 nan 8.370 nan 0.000 0.505 228 Y N 2.204 122.521 120.300 0.027 0.000 2.096 228 Y HA -0.258 4.292 4.550 -0.000 0.000 0.278 228 Y C 0.503 176.473 175.900 0.118 0.000 1.192 228 Y CA 1.553 59.728 58.100 0.125 0.000 1.143 228 Y CB -0.027 38.551 38.460 0.196 0.000 0.963 228 Y HN -0.145 nan 8.280 nan 0.000 0.505 229 D N -0.204 120.221 120.400 0.043 0.000 2.256 229 D HA 0.235 4.874 4.640 -0.000 0.000 0.240 229 D C -2.152 174.161 176.300 0.023 0.000 1.062 229 D CA -2.456 51.515 54.000 -0.048 0.000 0.832 229 D CB 1.477 42.291 40.800 0.024 0.000 1.135 229 D HN 0.062 nan 8.370 nan 0.000 0.484 230 P HA 0.037 nan 4.420 nan 0.000 0.268 230 P C 0.659 177.925 177.300 -0.057 0.000 1.329 230 P CA -0.052 63.028 63.100 -0.033 0.000 0.899 230 P CB 0.735 32.476 31.700 0.068 0.000 1.378 231 Q N 1.071 120.903 119.800 0.052 0.000 2.297 231 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 231 Q C 2.228 178.236 176.000 0.013 0.000 0.981 231 Q CA 1.272 57.167 55.803 0.153 0.000 0.876 231 Q CB -0.648 28.197 28.738 0.179 0.000 0.921 231 Q HN 0.548 nan 8.270 nan 0.000 0.446 232 R N 0.026 120.377 120.500 -0.248 0.000 2.152 232 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 232 R C 1.184 177.360 176.300 -0.206 0.000 1.117 232 R CA 1.284 57.195 56.100 -0.315 0.000 0.981 232 R CB -0.345 29.397 30.300 -0.929 0.000 0.870 232 R HN 0.171 nan 8.270 nan 0.000 0.451 233 N N 0.483 118.899 118.700 -0.473 0.000 2.459 233 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 233 N C -0.542 174.584 175.510 -0.640 0.000 1.046 233 N CA 0.739 53.399 53.050 -0.651 0.000 0.904 233 N CB 0.060 38.052 38.487 -0.824 0.000 0.964 233 N HN 0.159 nan 8.380 nan 0.000 0.444 234 F N 0.422 120.368 119.950 -0.006 0.000 2.332 234 F HA 0.374 4.901 4.527 -0.000 0.000 0.368 234 F C -1.546 173.998 175.800 -0.427 0.000 1.110 234 F CA -2.682 55.242 58.000 -0.126 0.000 1.087 234 F CB 1.531 40.527 39.000 -0.007 0.000 1.235 234 F HN -0.226 nan 8.300 nan 0.000 0.470 235 P HA -0.236 nan 4.420 nan 0.000 0.218 235 P C 1.457 178.697 177.300 -0.099 0.000 1.146 235 P CA 1.811 64.360 63.100 -0.918 0.000 0.813 235 P CB 0.296 31.304 31.700 -1.154 0.000 0.778 236 A N -0.919 121.951 122.820 0.083 0.000 1.930 236 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 236 A C 1.211 178.912 177.584 0.196 0.000 1.175 236 A CA 1.137 53.319 52.037 0.242 0.000 0.627 236 A CB -0.606 18.498 19.000 0.174 0.000 0.815 236 A HN 0.080 nan 8.150 nan 0.000 0.443 237 E N -0.386 119.921 120.200 0.178 0.000 2.343 237 E HA 0.452 4.802 4.350 -0.000 0.000 0.269 237 E C -0.278 176.465 176.600 0.237 0.000 1.047 237 E CA 0.164 56.680 56.400 0.193 0.000 0.874 237 E CB 1.077 30.915 29.700 0.229 0.000 1.033 237 E HN 0.229 nan 8.360 nan 0.000 0.409 238 A N 2.370 125.320 122.820 0.217 0.000 3.126 238 A HA 0.361 4.681 4.320 -0.000 0.000 0.268 238 A C 1.139 178.880 177.584 0.262 0.000 1.605 238 A CA 0.083 52.262 52.037 0.237 0.000 1.305 238 A CB -0.696 18.405 19.000 0.168 0.000 1.160 238 A HN 0.573 nan 8.150 nan 0.000 0.609 239 G N 0.118 109.112 108.800 0.324 0.000 3.042 239 G HA2 0.248 4.208 3.960 -0.000 0.000 0.212 239 G HA3 0.248 4.208 3.960 -0.000 0.000 0.212 239 G C 0.804 176.012 174.900 0.513 0.000 1.166 239 G CA 0.887 46.202 45.100 0.359 0.000 0.767 239 G HN 0.697 nan 8.290 nan 0.000 0.546 240 T N -2.731 112.093 114.554 0.451 0.000 2.923 240 T HA 0.468 4.818 4.350 -0.000 0.000 0.281 240 T C 1.731 176.456 174.700 0.043 0.000 0.995 240 T CA 0.410 62.759 62.100 0.414 0.000 0.985 240 T CB 1.656 70.745 68.868 0.369 0.000 1.114 240 T HN 0.099 nan 8.240 nan 0.000 0.548 241 S N -0.346 115.085 115.700 -0.447 0.000 2.414 241 S HA 0.240 4.710 4.470 -0.000 0.000 0.227 241 S C 2.014 176.421 174.600 -0.322 0.000 1.022 241 S CA 0.725 58.399 58.200 -0.877 0.000 0.958 241 S CB -1.291 61.215 63.200 -1.157 0.000 0.797 241 S HN 2.256 nan 8.310 nan 0.000 0.493 242 G N 0.943 109.634 108.800 -0.182 0.000 2.153 242 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 242 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 242 G C 0.402 175.206 174.900 -0.160 0.000 0.994 242 G CA 0.515 45.452 45.100 -0.273 0.000 0.698 242 G HN 0.558 nan 8.290 nan 0.000 0.521 243 L N 1.200 122.384 121.223 -0.065 0.000 2.591 243 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 243 L C 2.839 179.724 176.870 0.025 0.000 1.133 243 L CA 0.987 55.827 54.840 0.000 0.000 0.880 243 L CB -0.199 41.894 42.059 0.055 0.000 1.033 243 L HN 0.473 nan 8.230 nan 0.000 0.450 244 S N 1.023 116.752 115.700 0.047 0.000 2.378 244 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 244 S C -0.289 174.294 174.600 -0.029 0.000 1.052 244 S CA 1.490 59.719 58.200 0.050 0.000 1.084 244 S CB -2.086 61.206 63.200 0.153 0.000 0.950 244 S HN 0.326 nan 8.310 nan 0.000 0.440 245 P HA 0.080 nan 4.420 nan 0.000 0.219 245 P C 1.530 178.729 177.300 -0.168 0.000 1.150 245 P CA 1.609 64.517 63.100 -0.320 0.000 0.814 245 P CB -0.233 30.999 31.700 -0.780 0.000 0.787 246 A N -0.095 122.718 122.820 -0.012 0.000 1.969 246 A HA -0.066 4.253 4.320 -0.000 0.000 0.218 246 A C 2.365 180.052 177.584 0.173 0.000 1.169 246 A CA 1.041 53.205 52.037 0.213 0.000 0.635 246 A CB -1.435 17.677 19.000 0.186 0.000 0.810 246 A HN 0.141 nan 8.150 nan 0.000 0.445 247 L N -0.874 120.406 121.223 0.095 0.000 2.131 247 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 247 L C 2.599 179.496 176.870 0.045 0.000 1.087 247 L CA 1.175 56.067 54.840 0.086 0.000 0.767 247 L CB -0.289 41.808 42.059 0.064 0.000 0.917 247 L HN 0.298 nan 8.230 nan 0.000 0.441 248 K N 0.465 120.841 120.400 -0.040 0.000 2.097 248 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 248 K C 1.572 178.002 176.600 -0.284 0.000 1.050 248 K CA 1.697 57.861 56.287 -0.206 0.000 0.938 248 K CB -0.007 32.273 32.500 -0.367 0.000 0.718 248 K HN 0.191 nan 8.250 nan 0.000 0.442 249 F N 0.060 120.082 119.950 0.120 0.000 2.695 249 F HA 0.255 4.782 4.527 -0.000 0.000 0.303 249 F C 1.202 177.111 175.800 0.182 0.000 1.091 249 F CA 0.421 58.527 58.000 0.176 0.000 1.300 249 F CB 0.358 39.514 39.000 0.261 0.000 1.071 249 F HN 0.258 nan 8.300 nan 0.000 0.578 250 G N 0.702 109.669 108.800 0.278 0.000 2.221 250 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 250 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 250 G C 1.304 176.343 174.900 0.231 0.000 1.041 250 G CA 0.391 45.634 45.100 0.240 0.000 0.807 250 G HN 0.564 nan 8.290 nan 0.000 0.502 251 A N -1.462 121.507 122.820 0.248 0.000 2.067 251 A HA 0.478 4.798 4.320 -0.000 0.000 0.219 251 A C 1.346 179.015 177.584 0.140 0.000 1.158 251 A CA 1.663 53.807 52.037 0.178 0.000 0.661 251 A CB 0.271 19.396 19.000 0.207 0.000 0.801 251 A HN 1.519 nan 8.150 nan 0.000 0.452 252 I N -1.556 119.108 120.570 0.156 0.000 2.689 252 I HA 0.656 4.826 4.170 -0.000 0.000 0.299 252 I C 0.432 176.636 176.117 0.145 0.000 1.059 252 I CA -0.509 60.873 61.300 0.137 0.000 1.055 252 I CB 1.352 39.437 38.000 0.140 0.000 1.243 252 I HN 0.358 nan 8.210 nan 0.000 0.425 253 G N 3.044 111.925 108.800 0.134 0.000 2.395 253 G HA2 0.413 4.373 3.960 -0.000 0.000 0.283 253 G HA3 0.413 4.373 3.960 -0.000 0.000 0.283 253 G C 0.999 175.991 174.900 0.155 0.000 1.178 253 G CA 0.159 45.340 45.100 0.135 0.000 0.837 253 G HN 1.019 nan 8.290 nan 0.000 0.518 254 I N 2.040 122.702 120.570 0.153 0.000 2.454 254 I HA -0.080 4.090 4.170 -0.000 0.000 0.254 254 I C 2.731 178.967 176.117 0.199 0.000 1.156 254 I CA 1.319 62.723 61.300 0.174 0.000 1.433 254 I CB -0.848 37.242 38.000 0.148 0.000 1.082 254 I HN 0.772 nan 8.210 nan 0.000 0.432 255 R N -0.299 120.293 120.500 0.153 0.000 2.093 255 R HA -0.087 4.253 4.340 -0.000 0.000 0.224 255 R C 2.363 178.791 176.300 0.214 0.000 1.101 255 R CA 1.586 57.784 56.100 0.163 0.000 0.979 255 R CB -0.375 29.979 30.300 0.090 0.000 0.877 255 R HN 0.608 nan 8.270 nan 0.000 0.441 256 Q N 0.132 120.036 119.800 0.174 0.000 2.084 256 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 256 Q C 2.228 178.352 176.000 0.206 0.000 0.978 256 Q CA 1.554 57.453 55.803 0.160 0.000 0.844 256 Q CB -0.167 28.646 28.738 0.126 0.000 0.898 256 Q HN 0.347 nan 8.270 nan 0.000 0.426 257 A N 1.273 124.247 122.820 0.256 0.000 1.883 257 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 257 A C 1.792 179.621 177.584 0.408 0.000 1.186 257 A CA 1.246 53.490 52.037 0.344 0.000 0.624 257 A CB -1.213 18.015 19.000 0.380 0.000 0.822 257 A HN 0.711 nan 8.150 nan 0.000 0.444 258 W N 0.608 122.040 121.300 0.220 0.000 2.358 258 W HA -0.207 4.453 4.660 -0.000 0.000 0.303 258 W C 2.180 178.801 176.519 0.170 0.000 1.208 258 W CA 2.073 59.544 57.345 0.210 0.000 1.274 258 W CB -0.398 29.144 29.460 0.137 0.000 1.138 258 W HN 0.603 nan 8.180 nan 0.000 0.515 259 Q N 0.510 120.468 119.800 0.264 0.000 2.084 259 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 259 Q C 2.415 178.437 176.000 0.036 0.000 0.978 259 Q CA 2.257 58.139 55.803 0.132 0.000 0.844 259 Q CB -0.424 28.409 28.738 0.158 0.000 0.898 259 Q HN 0.177 nan 8.270 nan 0.000 0.426 260 A N 0.739 123.601 122.820 0.070 0.000 1.877 260 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 260 A C 2.276 179.850 177.584 -0.017 0.000 1.186 260 A CA 1.748 53.805 52.037 0.033 0.000 0.620 260 A CB -1.017 18.018 19.000 0.059 0.000 0.822 260 A HN 0.558 nan 8.150 nan 0.000 0.443 261 A N -0.963 121.852 122.820 -0.008 0.000 1.898 261 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 261 A C 2.489 179.998 177.584 -0.125 0.000 1.181 261 A CA 2.146 54.156 52.037 -0.045 0.000 0.620 261 A CB -0.978 18.094 19.000 0.119 0.000 0.819 261 A HN 0.565 nan 8.150 nan 0.000 0.442 262 S N -0.385 115.156 115.700 -0.264 0.000 2.368 262 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 262 S C 2.149 176.719 174.600 -0.050 0.000 1.030 262 S CA 1.581 59.635 58.200 -0.244 0.000 0.999 262 S CB -0.450 62.557 63.200 -0.322 0.000 0.844 262 S HN 0.808 nan 8.310 nan 0.000 0.459 263 A N 0.948 123.748 122.820 -0.034 0.000 1.969 263 A HA 0.273 4.593 4.320 -0.000 0.000 0.218 263 A C 2.377 179.959 177.584 -0.004 0.000 1.169 263 A CA 1.658 53.694 52.037 -0.002 0.000 0.635 263 A CB -1.112 17.888 19.000 -0.000 0.000 0.810 263 A HN 0.719 nan 8.150 nan 0.000 0.445 264 A N -1.460 121.347 122.820 -0.022 0.000 1.968 264 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 264 A C 2.104 179.679 177.584 -0.015 0.000 1.169 264 A CA 1.553 53.566 52.037 -0.041 0.000 0.638 264 A CB -0.817 18.130 19.000 -0.088 0.000 0.812 264 A HN 0.720 nan 8.150 nan 0.000 0.446 265 H N 0.008 119.036 119.070 -0.069 0.000 2.395 265 H HA 0.064 4.620 4.556 -0.000 0.000 0.299 265 H C 2.118 177.430 175.328 -0.026 0.000 1.070 265 H CA 1.466 57.488 56.048 -0.044 0.000 1.356 265 H CB -0.049 29.686 29.762 -0.045 0.000 1.401 265 H HN 0.403 nan 8.280 nan 0.000 0.524 266 A N 0.773 123.658 122.820 0.108 0.000 2.016 266 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 266 A C 2.404 179.984 177.584 -0.007 0.000 1.162 266 A CA 0.862 52.940 52.037 0.068 0.000 0.662 266 A CB -0.456 18.588 19.000 0.073 0.000 0.812 266 A HN 0.396 nan 8.150 nan 0.000 0.450 267 L N -0.475 120.734 121.223 -0.024 0.000 2.209 267 L HA 0.168 4.508 4.340 -0.000 0.000 0.207 267 L C 1.363 178.196 176.870 -0.062 0.000 1.094 267 L CA 1.112 55.929 54.840 -0.037 0.000 0.790 267 L CB -0.359 41.679 42.059 -0.035 0.000 0.932 267 L HN 0.242 nan 8.230 nan 0.000 0.447 268 S N 0.375 116.017 115.700 -0.096 0.000 2.562 268 S HA 0.141 4.611 4.470 -0.000 0.000 0.281 268 S C 1.016 175.547 174.600 -0.116 0.000 1.333 268 S CA -0.525 57.606 58.200 -0.115 0.000 1.052 268 S CB 0.275 63.381 63.200 -0.156 0.000 0.884 268 S HN 0.518 nan 8.310 nan 0.000 0.506 269 R N 2.469 122.919 120.500 -0.084 0.000 2.629 269 R HA 0.251 4.590 4.340 -0.000 0.000 0.386 269 R C -0.283 175.982 176.300 -0.057 0.000 1.071 269 R CA -0.330 55.730 56.100 -0.066 0.000 1.104 269 R CB -0.840 29.434 30.300 -0.043 0.000 1.370 269 R HN 0.407 nan 8.270 nan 0.000 0.574 270 S N 0.442 116.101 115.700 -0.069 0.000 2.478 270 S HA 0.329 4.799 4.470 -0.000 0.000 0.312 270 S C 0.028 174.598 174.600 -0.050 0.000 1.094 270 S CA -0.494 57.677 58.200 -0.048 0.000 1.081 270 S CB 1.566 64.742 63.200 -0.039 0.000 1.007 270 S HN 0.083 nan 8.310 nan 0.000 0.475 271 D N 3.331 123.716 120.400 -0.025 0.000 2.104 271 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 271 D C 1.670 177.974 176.300 0.007 0.000 0.994 271 D CA 1.556 55.552 54.000 -0.008 0.000 0.830 271 D CB 0.034 40.840 40.800 0.011 0.000 0.959 271 D HN 0.780 nan 8.370 nan 0.000 0.452 272 E N 0.320 120.525 120.200 0.009 0.000 2.085 272 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 272 E C 2.083 178.698 176.600 0.025 0.000 0.994 272 E CA 1.041 57.455 56.400 0.024 0.000 0.801 272 E CB -0.076 29.636 29.700 0.020 0.000 0.743 272 E HN 0.214 nan 8.360 nan 0.000 0.453 273 A N 1.820 124.638 122.820 -0.004 0.000 1.877 273 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 273 A C 2.075 179.655 177.584 -0.006 0.000 1.186 273 A CA 1.102 53.129 52.037 -0.016 0.000 0.620 273 A CB -0.356 18.611 19.000 -0.054 0.000 0.822 273 A HN 0.067 nan 8.150 nan 0.000 0.443 274 R N -0.154 120.315 120.500 -0.053 0.000 2.094 274 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 274 R C 2.056 178.452 176.300 0.160 0.000 1.137 274 R CA 1.862 57.919 56.100 -0.072 0.000 0.943 274 R CB -1.212 28.991 30.300 -0.161 0.000 0.850 274 R HN 0.724 nan 8.270 nan 0.000 0.433 275 N N 0.695 119.470 118.700 0.125 0.000 2.104 275 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 275 N C 1.635 177.250 175.510 0.176 0.000 1.024 275 N CA 1.873 55.014 53.050 0.153 0.000 0.853 275 N CB -0.087 38.466 38.487 0.109 0.000 1.008 275 N HN 0.028 nan 8.380 nan 0.000 0.424 276 S N -0.607 115.187 115.700 0.156 0.000 2.370 276 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 276 S C 2.090 176.858 174.600 0.280 0.000 1.033 276 S CA 1.322 59.651 58.200 0.214 0.000 1.011 276 S CB -0.332 62.959 63.200 0.152 0.000 0.852 276 S HN 0.337 nan 8.310 nan 0.000 0.457 277 I N 1.380 122.073 120.570 0.205 0.000 2.353 277 I HA -0.012 4.158 4.170 -0.000 0.000 0.248 277 I C 2.522 178.793 176.117 0.257 0.000 1.119 277 I CA 0.802 62.226 61.300 0.207 0.000 1.417 277 I CB -1.212 36.887 38.000 0.164 0.000 1.078 277 I HN 0.348 nan 8.210 nan 0.000 0.421 278 R N 0.557 121.211 120.500 0.257 0.000 2.092 278 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 278 R C 2.386 178.818 176.300 0.221 0.000 1.119 278 R CA 1.129 57.358 56.100 0.214 0.000 0.970 278 R CB -0.993 29.436 30.300 0.216 0.000 0.864 278 R HN 0.459 nan 8.270 nan 0.000 0.440 279 V N -0.247 119.819 119.914 0.253 0.000 2.343 279 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 279 V C 2.004 178.298 176.094 0.334 0.000 1.051 279 V CA 1.636 64.097 62.300 0.268 0.000 1.036 279 V CB -0.577 31.441 31.823 0.325 0.000 0.654 279 V HN 0.383 nan 8.190 nan 0.000 0.451 280 W N 0.782 122.171 121.300 0.149 0.000 2.358 280 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 280 W C 2.570 179.097 176.519 0.014 0.000 1.208 280 W CA 1.799 59.054 57.345 -0.150 0.000 1.274 280 W CB -0.239 29.018 29.460 -0.339 0.000 1.138 280 W HN 0.253 nan 8.180 nan 0.000 0.515 281 Q N -0.473 119.446 119.800 0.198 0.000 2.170 281 Q HA -0.297 4.043 4.340 -0.000 0.000 0.203 281 Q C 2.062 178.183 176.000 0.202 0.000 0.976 281 Q CA 1.720 57.647 55.803 0.208 0.000 0.858 281 Q CB -0.392 28.479 28.738 0.222 0.000 0.907 281 Q HN 0.300 nan 8.270 nan 0.000 0.433 282 Q N 0.828 120.667 119.800 0.064 0.000 2.124 282 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 282 Q C 1.665 177.642 176.000 -0.039 0.000 0.977 282 Q CA 1.304 57.026 55.803 -0.135 0.000 0.850 282 Q CB 0.133 28.749 28.738 -0.204 0.000 0.901 282 Q HN 0.245 nan 8.270 nan 0.000 0.429 283 E N 0.172 120.324 120.200 -0.079 0.000 2.085 283 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 283 E C 2.017 178.522 176.600 -0.158 0.000 0.994 283 E CA 1.116 57.436 56.400 -0.134 0.000 0.801 283 E CB -0.355 29.136 29.700 -0.348 0.000 0.743 283 E HN 0.464 nan 8.360 nan 0.000 0.453 284 L N 0.259 121.341 121.223 -0.234 0.000 2.201 284 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 284 L C 2.463 179.228 176.870 -0.176 0.000 1.105 284 L CA 0.960 55.723 54.840 -0.129 0.000 0.775 284 L CB -0.560 41.528 42.059 0.048 0.000 0.913 284 L HN 0.048 nan 8.230 nan 0.000 0.440 285 A N -0.547 122.073 122.820 -0.333 0.000 1.897 285 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 285 A C 1.910 179.260 177.584 -0.390 0.000 1.181 285 A CA 0.938 52.498 52.037 -0.796 0.000 0.620 285 A CB -0.802 17.885 19.000 -0.523 0.000 0.821 285 A HN 0.467 nan 8.150 nan 0.000 0.443 286 W N 0.070 121.211 121.300 -0.265 0.000 2.363 286 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 286 W C 2.547 178.935 176.519 -0.218 0.000 1.212 286 W CA 1.745 58.898 57.345 -0.319 0.000 1.260 286 W CB -0.070 29.143 29.460 -0.412 0.000 1.131 286 W HN 0.354 nan 8.180 nan 0.000 0.530 287 R N 0.979 121.522 120.500 0.073 0.000 2.083 287 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 287 R C 1.826 178.151 176.300 0.042 0.000 1.137 287 R CA 2.025 58.179 56.100 0.091 0.000 0.951 287 R CB -0.415 29.903 30.300 0.031 0.000 0.851 287 R HN 0.183 nan 8.270 nan 0.000 0.434 288 E N -0.295 119.862 120.200 -0.073 0.000 2.208 288 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 288 E C 1.779 178.176 176.600 -0.337 0.000 0.988 288 E CA 0.771 57.118 56.400 -0.087 0.000 0.828 288 E CB -0.228 29.457 29.700 -0.024 0.000 0.763 288 E HN 0.342 nan 8.360 nan 0.000 0.478 289 F N 1.321 120.801 119.950 -0.783 0.000 2.102 289 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 289 F C 1.883 177.344 175.800 -0.564 0.000 1.105 289 F CA 1.434 58.649 58.000 -1.308 0.000 1.239 289 F CB -0.352 37.868 39.000 -1.299 0.000 0.991 289 F HN -0.089 nan 8.300 nan 0.000 0.474 290 Y N 0.636 120.786 120.300 -0.250 0.000 2.263 290 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 290 Y C 2.616 178.449 175.900 -0.113 0.000 1.130 290 Y CA 1.408 59.388 58.100 -0.201 0.000 1.179 290 Y CB -1.163 37.283 38.460 -0.024 0.000 0.998 290 Y HN 0.191 nan 8.280 nan 0.000 0.532 291 Q N -0.880 118.993 119.800 0.120 0.000 2.079 291 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 291 Q C 1.939 178.025 176.000 0.144 0.000 0.974 291 Q CA 1.429 57.318 55.803 0.143 0.000 0.840 291 Q CB -0.363 28.478 28.738 0.172 0.000 0.898 291 Q HN 0.699 nan 8.270 nan 0.000 0.430 292 H N -0.181 118.843 119.070 -0.077 0.000 2.353 292 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 292 H C 2.129 177.419 175.328 -0.063 0.000 1.090 292 H CA 0.711 56.707 56.048 -0.087 0.000 1.327 292 H CB 0.191 30.006 29.762 0.087 0.000 1.383 292 H HN 0.295 nan 8.280 nan 0.000 0.508 293 A N 1.195 124.013 122.820 -0.003 0.000 1.902 293 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 293 A C 2.345 179.972 177.584 0.072 0.000 1.181 293 A CA 1.216 53.255 52.037 0.005 0.000 0.623 293 A CB -0.644 18.258 19.000 -0.164 0.000 0.818 293 A HN 0.288 nan 8.150 nan 0.000 0.443 294 L N -1.671 119.595 121.223 0.071 0.000 2.083 294 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 294 L C 2.248 179.158 176.870 0.068 0.000 1.083 294 L CA 2.229 57.121 54.840 0.088 0.000 0.752 294 L CB -0.921 41.197 42.059 0.097 0.000 0.899 294 L HN 0.535 nan 8.230 nan 0.000 0.433 295 Y N -0.686 119.551 120.300 -0.105 0.000 2.114 295 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 295 Y C 2.710 178.456 175.900 -0.257 0.000 1.143 295 Y CA 2.193 60.179 58.100 -0.190 0.000 1.135 295 Y CB -0.252 37.995 38.460 -0.354 0.000 0.980 295 Y HN 0.334 nan 8.280 nan 0.000 0.499 296 H N -1.416 117.590 119.070 -0.107 0.000 2.395 296 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 296 H C -0.113 174.839 175.328 -0.627 0.000 1.070 296 H CA 1.154 56.914 56.048 -0.480 0.000 1.356 296 H CB -0.255 29.031 29.762 -0.793 0.000 1.401 296 H HN 0.243 nan 8.280 nan 0.000 0.524 297 F N 1.511 121.535 119.950 0.123 0.000 2.449 297 F HA 0.278 4.805 4.527 -0.000 0.000 0.329 297 F C -1.623 174.211 175.800 0.056 0.000 1.245 297 F CA -3.013 55.039 58.000 0.086 0.000 1.193 297 F CB 1.085 40.078 39.000 -0.011 0.000 1.425 297 F HN -0.059 nan 8.300 nan 0.000 0.544 298 P HA -0.208 nan 4.420 nan 0.000 0.218 298 P C 1.532 178.932 177.300 0.167 0.000 1.146 298 P CA 1.583 64.752 63.100 0.115 0.000 0.813 298 P CB 0.134 31.860 31.700 0.045 0.000 0.778 299 S N -0.547 115.296 115.700 0.238 0.000 2.474 299 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 299 S C 2.072 176.851 174.600 0.298 0.000 0.997 299 S CA 0.466 58.819 58.200 0.255 0.000 0.949 299 S CB -1.652 61.720 63.200 0.287 0.000 0.766 299 S HN 0.079 nan 8.310 nan 0.000 0.517 300 L N 1.137 122.525 121.223 0.274 0.000 2.081 300 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 300 L C 3.045 180.051 176.870 0.226 0.000 1.080 300 L CA 1.348 56.310 54.840 0.204 0.000 0.754 300 L CB -0.752 41.320 42.059 0.022 0.000 0.893 300 L HN 0.518 nan 8.230 nan 0.000 0.433 301 A N -0.765 122.163 122.820 0.180 0.000 2.125 301 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 301 A C 1.736 179.413 177.584 0.155 0.000 1.156 301 A CA 1.579 53.713 52.037 0.162 0.000 0.671 301 A CB -0.385 18.689 19.000 0.123 0.000 0.794 301 A HN 0.402 nan 8.150 nan 0.000 0.459 302 D N -0.733 119.761 120.400 0.157 0.000 2.317 302 D HA 0.284 4.924 4.640 -0.000 0.000 0.211 302 D C 1.209 177.541 176.300 0.054 0.000 0.966 302 D CA 1.394 55.454 54.000 0.100 0.000 0.876 302 D CB 0.235 41.096 40.800 0.103 0.000 0.927 302 D HN 0.583 nan 8.370 nan 0.000 0.519 303 G N 0.072 108.950 108.800 0.130 0.000 2.293 303 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.282 303 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.282 303 G C -2.794 172.231 174.900 0.208 0.000 1.299 303 G CA -1.164 43.900 45.100 -0.060 0.000 1.018 303 G HN -0.195 nan 8.290 nan 0.000 0.478 304 P HA 0.071 nan 4.420 nan 0.000 0.255 304 P C -0.057 177.498 177.300 0.425 0.000 1.151 304 P CA 0.594 63.963 63.100 0.448 0.000 0.767 304 P CB 0.075 32.017 31.700 0.404 0.000 0.736 305 Y N 5.607 126.092 120.300 0.310 0.000 2.153 305 Y HA 0.034 4.583 4.550 -0.000 0.000 0.289 305 Y C 1.112 177.129 175.900 0.195 0.000 1.119 305 Y CA 1.074 59.299 58.100 0.209 0.000 1.116 305 Y CB -0.028 38.529 38.460 0.163 0.000 1.004 305 Y HN 0.146 nan 8.280 nan 0.000 0.501 306 R N 0.886 121.571 120.500 0.309 0.000 2.570 306 R HA -0.006 4.334 4.340 -0.000 0.000 0.277 306 R C 1.776 178.183 176.300 0.178 0.000 1.039 306 R CA 0.514 56.736 56.100 0.204 0.000 1.065 306 R CB 0.589 31.121 30.300 0.388 0.000 0.964 306 R HN 0.507 nan 8.270 nan 0.000 0.428 307 S N 3.876 119.600 115.700 0.040 0.000 2.378 307 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 307 S C 1.821 176.432 174.600 0.018 0.000 1.052 307 S CA 1.282 59.489 58.200 0.011 0.000 1.084 307 S CB -0.319 62.862 63.200 -0.032 0.000 0.950 307 S HN 0.634 nan 8.310 nan 0.000 0.440 308 L N 0.170 121.381 121.223 -0.019 0.000 2.013 308 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 308 L C 2.266 179.019 176.870 -0.196 0.000 1.073 308 L CA 2.116 56.850 54.840 -0.178 0.000 0.753 308 L CB -1.557 40.320 42.059 -0.304 0.000 0.890 308 L HN 0.525 nan 8.230 nan 0.000 0.432 309 W N 0.368 121.741 121.300 0.122 0.000 2.465 309 W HA -0.123 4.537 4.660 -0.000 0.000 0.268 309 W C 2.639 179.268 176.519 0.183 0.000 1.242 309 W CA 0.543 57.997 57.345 0.182 0.000 1.248 309 W CB -0.215 29.400 29.460 0.259 0.000 1.118 309 W HN 0.310 nan 8.180 nan 0.000 0.587 310 Q N -0.017 119.951 119.800 0.280 0.000 2.437 310 Q HA -0.155 4.185 4.340 -0.000 0.000 0.210 310 Q C 1.351 177.422 176.000 0.118 0.000 0.972 310 Q CA 0.916 56.833 55.803 0.190 0.000 0.903 310 Q CB -0.172 28.627 28.738 0.101 0.000 0.967 310 Q HN 0.496 nan 8.270 nan 0.000 0.486 311 Q N -0.734 119.095 119.800 0.049 0.000 2.179 311 Q HA 0.138 4.478 4.340 -0.000 0.000 0.213 311 Q C -0.594 175.316 176.000 -0.151 0.000 0.833 311 Q CA -0.453 55.317 55.803 -0.055 0.000 0.990 311 Q CB 0.479 29.149 28.738 -0.114 0.000 1.132 311 Q HN 0.158 nan 8.270 nan 0.000 0.493 312 F N 4.715 124.475 119.950 -0.317 0.000 2.578 312 F HA 0.091 4.618 4.527 -0.000 0.000 0.376 312 F C -1.768 173.610 175.800 -0.704 0.000 1.085 312 F CA -2.231 55.376 58.000 -0.654 0.000 1.260 312 F CB 0.839 39.267 39.000 -0.953 0.000 1.095 312 F HN -0.041 nan 8.300 nan 0.000 0.573 313 P HA -0.001 nan 4.420 nan 0.000 0.237 313 P C -1.213 175.735 177.300 -0.587 0.000 1.788 313 P CA -0.173 62.494 63.100 -0.721 0.000 1.061 313 P CB -0.644 30.651 31.700 -0.675 0.000 1.967 314 W N 1.273 122.541 121.300 -0.054 0.000 2.264 314 W HA 0.088 4.747 4.660 -0.000 0.000 0.331 314 W C 1.832 178.342 176.519 -0.015 0.000 1.364 314 W CA -0.171 57.225 57.345 0.084 0.000 1.253 314 W CB 0.440 29.959 29.460 0.098 0.000 1.215 314 W HN 0.403 nan 8.180 nan 0.000 0.561 315 E N 2.389 122.733 120.200 0.241 0.000 2.047 315 E HA -0.285 4.064 4.350 -0.000 0.000 0.191 315 E C 0.327 176.993 176.600 0.110 0.000 0.987 315 E CA 1.157 57.627 56.400 0.118 0.000 0.799 315 E CB -0.059 29.705 29.700 0.107 0.000 0.752 315 E HN 0.521 nan 8.360 nan 0.000 0.449 316 N N 1.226 120.004 118.700 0.131 0.000 2.708 316 N HA -0.177 4.563 4.740 -0.000 0.000 0.255 316 N C -1.256 174.277 175.510 0.037 0.000 1.046 316 N CA 0.749 53.827 53.050 0.046 0.000 0.715 316 N CB -1.288 37.206 38.487 0.011 0.000 0.895 316 N HN 0.252 nan 8.380 nan 0.000 0.545 317 R N 0.864 121.402 120.500 0.064 0.000 2.248 317 R HA 0.053 4.393 4.340 -0.000 0.000 0.337 317 R C 1.344 177.700 176.300 0.095 0.000 1.106 317 R CA -0.477 55.666 56.100 0.070 0.000 0.959 317 R CB 0.792 31.140 30.300 0.079 0.000 1.075 317 R HN 0.178 nan 8.270 nan 0.000 0.480 318 E N 3.371 123.621 120.200 0.082 0.000 2.114 318 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 318 E C 1.633 178.339 176.600 0.177 0.000 1.008 318 E CA 2.260 58.737 56.400 0.127 0.000 0.810 318 E CB 0.061 29.815 29.700 0.091 0.000 0.739 318 E HN 0.710 nan 8.360 nan 0.000 0.456 319 A N 0.150 123.045 122.820 0.126 0.000 1.940 319 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 319 A C 2.317 179.982 177.584 0.134 0.000 1.176 319 A CA 1.520 53.626 52.037 0.115 0.000 0.631 319 A CB -0.668 18.385 19.000 0.088 0.000 0.814 319 A HN 0.347 nan 8.150 nan 0.000 0.446 320 L N -2.217 119.098 121.223 0.153 0.000 2.093 320 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 320 L C 2.483 179.489 176.870 0.226 0.000 1.085 320 L CA 1.413 56.359 54.840 0.177 0.000 0.755 320 L CB -0.560 41.592 42.059 0.154 0.000 0.904 320 L HN 0.504 nan 8.230 nan 0.000 0.435 321 F N 1.162 121.156 119.950 0.073 0.000 2.075 321 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 321 F C 2.497 178.370 175.800 0.122 0.000 1.113 321 F CA 2.039 60.080 58.000 0.068 0.000 1.218 321 F CB -0.614 38.377 39.000 -0.015 0.000 0.984 321 F HN -0.070 nan 8.300 nan 0.000 0.472 322 T N 0.927 115.494 114.554 0.022 0.000 2.665 322 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 322 T C 2.220 176.857 174.700 -0.106 0.000 1.035 322 T CA 1.769 63.813 62.100 -0.094 0.000 1.151 322 T CB -1.033 67.860 68.868 0.042 0.000 0.862 322 T HN 0.389 nan 8.240 nan 0.000 0.438 323 A N 0.319 123.146 122.820 0.012 0.000 1.908 323 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 323 A C 2.051 179.650 177.584 0.025 0.000 1.181 323 A CA 1.756 53.813 52.037 0.033 0.000 0.627 323 A CB -1.175 17.885 19.000 0.101 0.000 0.818 323 A HN 0.725 nan 8.150 nan 0.000 0.445 324 W N 1.555 122.764 121.300 -0.153 0.000 2.355 324 W HA -0.224 4.435 4.660 -0.000 0.000 0.309 324 W C 2.629 178.936 176.519 -0.353 0.000 1.206 324 W CA 3.082 60.328 57.345 -0.166 0.000 1.284 324 W CB -0.563 28.840 29.460 -0.096 0.000 1.145 324 W HN 0.411 nan 8.180 nan 0.000 0.502 325 T N -1.268 112.961 114.554 -0.542 0.000 2.929 325 T HA -0.218 4.132 4.350 -0.000 0.000 0.271 325 T C 1.366 175.758 174.700 -0.514 0.000 1.085 325 T CA 1.655 63.138 62.100 -1.029 0.000 1.125 325 T CB -0.430 67.612 68.868 -1.376 0.000 0.874 325 T HN 0.439 nan 8.240 nan 0.000 0.494 326 Q N 0.624 120.244 119.800 -0.301 0.000 2.280 326 Q HA 0.598 4.938 4.340 -0.000 0.000 0.201 326 Q C 1.045 176.973 176.000 -0.121 0.000 0.890 326 Q CA 0.158 55.872 55.803 -0.148 0.000 0.947 326 Q CB 0.288 28.979 28.738 -0.079 0.000 1.081 326 Q HN 0.649 nan 8.270 nan 0.000 0.502 327 A N 1.403 124.112 122.820 -0.185 0.000 2.846 327 A HA -0.193 4.127 4.320 -0.000 0.000 0.287 327 A C 0.541 178.101 177.584 -0.040 0.000 1.469 327 A CA 0.726 52.688 52.037 -0.125 0.000 0.757 327 A CB -1.325 17.628 19.000 -0.078 0.000 1.033 327 A HN 0.372 nan 8.150 nan 0.000 0.516 328 Q N -0.746 119.023 119.800 -0.052 0.000 2.155 328 Q HA 0.114 4.454 4.340 -0.000 0.000 0.273 328 Q C 1.567 177.547 176.000 -0.034 0.000 0.857 328 Q CA 0.728 56.493 55.803 -0.063 0.000 1.116 328 Q CB 0.229 28.939 28.738 -0.047 0.000 1.209 328 Q HN 1.107 nan 8.270 nan 0.000 0.460 329 T N -3.819 110.749 114.554 0.023 0.000 2.951 329 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 329 T C 1.464 176.288 174.700 0.207 0.000 1.073 329 T CA 1.290 63.485 62.100 0.157 0.000 1.134 329 T CB 0.167 69.095 68.868 0.099 0.000 0.884 329 T HN 0.438 nan 8.240 nan 0.000 0.479 330 G N 0.118 108.923 108.800 0.008 0.000 2.176 330 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 330 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 330 G C -0.213 174.758 174.900 0.119 0.000 0.986 330 G CA -0.016 45.023 45.100 -0.103 0.000 0.643 330 G HN 0.599 nan 8.290 nan 0.000 0.522 331 Y N 0.693 121.035 120.300 0.070 0.000 2.504 331 Y HA 0.457 5.007 4.550 -0.000 0.000 0.339 331 Y C -0.915 175.043 175.900 0.097 0.000 0.974 331 Y CA -2.033 56.097 58.100 0.051 0.000 1.232 331 Y CB 1.616 39.982 38.460 -0.156 0.000 1.108 331 Y HN -0.025 nan 8.280 nan 0.000 0.509 332 P HA -0.327 nan 4.420 nan 0.000 0.217 332 P C 2.137 179.520 177.300 0.139 0.000 1.162 332 P CA 1.946 65.127 63.100 0.136 0.000 0.901 332 P CB 0.262 31.971 31.700 0.015 0.000 0.793 333 I N -1.046 119.615 120.570 0.151 0.000 2.264 333 I HA -0.178 3.991 4.170 -0.000 0.000 0.248 333 I C 2.076 178.277 176.117 0.140 0.000 1.111 333 I CA 1.506 62.910 61.300 0.175 0.000 1.382 333 I CB -1.355 36.741 38.000 0.160 0.000 1.060 333 I HN -0.161 nan 8.210 nan 0.000 0.418 334 V N 0.615 120.565 119.914 0.060 0.000 2.323 334 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 334 V C 2.369 178.435 176.094 -0.047 0.000 1.041 334 V CA 2.276 64.542 62.300 -0.056 0.000 1.025 334 V CB -0.960 30.646 31.823 -0.361 0.000 0.656 334 V HN 0.481 nan 8.190 nan 0.000 0.451 335 D N 0.647 121.056 120.400 0.016 0.000 2.144 335 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 335 D C 2.214 178.531 176.300 0.030 0.000 0.978 335 D CA 1.583 55.600 54.000 0.028 0.000 0.833 335 D CB -0.273 40.635 40.800 0.181 0.000 0.961 335 D HN 0.432 nan 8.370 nan 0.000 0.470 336 A N 0.968 123.836 122.820 0.079 0.000 1.972 336 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 336 A C 2.285 179.845 177.584 -0.040 0.000 1.169 336 A CA 1.993 54.069 52.037 0.066 0.000 0.635 336 A CB -0.483 18.575 19.000 0.097 0.000 0.810 336 A HN 0.239 nan 8.150 nan 0.000 0.446 337 A N -0.852 122.009 122.820 0.069 0.000 1.872 337 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 337 A C 2.125 179.599 177.584 -0.183 0.000 1.187 337 A CA 1.754 53.792 52.037 0.002 0.000 0.614 337 A CB -0.451 18.576 19.000 0.045 0.000 0.826 337 A HN 0.389 nan 8.150 nan 0.000 0.442 338 M N -0.421 119.063 119.600 -0.193 0.000 2.213 338 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 338 M C 2.125 178.289 176.300 -0.227 0.000 1.062 338 M CA 1.203 56.338 55.300 -0.275 0.000 1.105 338 M CB -1.231 31.119 32.600 -0.416 0.000 1.385 338 M HN 0.341 nan 8.290 nan 0.000 0.417 339 R N 0.057 120.450 120.500 -0.178 0.000 2.066 339 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 339 R C 2.124 178.275 176.300 -0.248 0.000 1.131 339 R CA 1.403 57.433 56.100 -0.116 0.000 0.955 339 R CB -0.728 29.586 30.300 0.023 0.000 0.851 339 R HN 0.570 nan 8.270 nan 0.000 0.432 340 Q N 0.785 120.218 119.800 -0.612 0.000 2.096 340 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 340 Q C 2.097 177.809 176.000 -0.480 0.000 0.982 340 Q CA 1.517 56.644 55.803 -1.128 0.000 0.850 340 Q CB -0.115 27.666 28.738 -1.596 0.000 0.901 340 Q HN 0.162 nan 8.270 nan 0.000 0.422 341 L N 0.791 121.803 121.223 -0.351 0.000 1.976 341 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 341 L C 2.538 179.334 176.870 -0.122 0.000 1.071 341 L CA 2.850 57.538 54.840 -0.253 0.000 0.746 341 L CB -1.322 40.543 42.059 -0.322 0.000 0.890 341 L HN 0.489 nan 8.230 nan 0.000 0.432 342 T N -3.596 110.875 114.554 -0.137 0.000 2.833 342 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 342 T C 1.664 176.449 174.700 0.142 0.000 1.054 342 T CA 1.612 63.684 62.100 -0.048 0.000 1.135 342 T CB -0.541 68.268 68.868 -0.097 0.000 0.869 342 T HN 0.564 nan 8.240 nan 0.000 0.466 343 E N 0.841 121.089 120.200 0.081 0.000 2.170 343 E HA 0.002 4.351 4.350 -0.000 0.000 0.191 343 E C 2.171 178.872 176.600 0.167 0.000 0.981 343 E CA 1.391 57.857 56.400 0.110 0.000 0.830 343 E CB 0.150 29.927 29.700 0.129 0.000 0.775 343 E HN 0.804 nan 8.360 nan 0.000 0.470 344 T N -3.947 110.746 114.554 0.232 0.000 3.040 344 T HA 0.295 4.645 4.350 -0.000 0.000 0.266 344 T C 1.411 176.396 174.700 0.476 0.000 1.005 344 T CA 0.308 62.616 62.100 0.346 0.000 0.906 344 T CB 0.953 69.969 68.868 0.247 0.000 1.082 344 T HN 0.193 nan 8.240 nan 0.000 0.531 345 G N 0.732 109.733 108.800 0.336 0.000 2.179 345 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 345 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 345 G C -0.266 174.704 174.900 0.118 0.000 1.010 345 G CA 0.328 45.472 45.100 0.074 0.000 0.736 345 G HN 0.765 nan 8.290 nan 0.000 0.513 346 W N -0.812 120.427 121.300 -0.101 0.000 3.213 346 W HA 0.759 5.419 4.660 -0.000 0.000 0.318 346 W C -0.878 175.533 176.519 -0.180 0.000 1.248 346 W CA -1.200 56.068 57.345 -0.128 0.000 1.187 346 W CB 1.183 30.621 29.460 -0.037 0.000 1.403 346 W HN 0.219 nan 8.180 nan 0.000 0.556 347 M N 4.490 123.488 119.600 -1.003 0.000 2.378 347 M HA 0.254 4.734 4.480 -0.000 0.000 0.289 347 M C -1.390 174.082 176.300 -1.381 0.000 1.136 347 M CA -0.865 53.911 55.300 -0.875 0.000 0.917 347 M CB 1.769 34.000 32.600 -0.615 0.000 1.669 347 M HN 0.677 nan 8.290 nan 0.000 0.461 348 H N 3.569 122.066 119.070 -0.956 0.000 2.964 348 H HA 0.050 4.606 4.556 -0.000 0.000 0.328 348 H C 1.020 176.005 175.328 -0.571 0.000 1.030 348 H CA 1.399 57.027 56.048 -0.700 0.000 1.445 348 H CB 0.721 30.310 29.762 -0.289 0.000 1.449 348 H HN 0.779 nan 8.280 nan 0.000 0.581 349 N N 3.509 121.745 118.700 -0.774 0.000 2.132 349 N HA -0.281 4.459 4.740 -0.000 0.000 0.191 349 N C 1.937 177.186 175.510 -0.435 0.000 1.015 349 N CA 1.381 54.085 53.050 -0.578 0.000 0.864 349 N CB 0.022 38.168 38.487 -0.567 0.000 1.006 349 N HN 0.614 nan 8.380 nan 0.000 0.430 350 R N 1.091 121.438 120.500 -0.255 0.000 2.081 350 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 350 R C 2.375 178.548 176.300 -0.211 0.000 1.131 350 R CA 1.617 57.552 56.100 -0.275 0.000 0.960 350 R CB -1.186 28.933 30.300 -0.302 0.000 0.856 350 R HN 0.338 nan 8.270 nan 0.000 0.436 351 C N 0.254 119.452 119.300 -0.170 0.000 2.440 351 C HA 0.066 4.526 4.460 -0.000 0.000 0.278 351 C C 2.482 177.412 174.990 -0.100 0.000 1.295 351 C CA 0.798 59.728 59.018 -0.146 0.000 1.738 351 C CB -0.826 26.802 27.740 -0.186 0.000 1.987 351 C HN 0.517 nan 8.230 nan 0.000 0.492 352 R N 0.475 120.868 120.500 -0.178 0.000 2.081 352 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 352 R C 2.197 178.359 176.300 -0.230 0.000 1.131 352 R CA 1.394 57.443 56.100 -0.086 0.000 0.960 352 R CB -0.402 29.806 30.300 -0.154 0.000 0.856 352 R HN 0.547 nan 8.270 nan 0.000 0.436 353 M N 0.180 119.557 119.600 -0.371 0.000 2.108 353 M HA -0.192 4.287 4.480 -0.000 0.000 0.261 353 M C 2.504 178.733 176.300 -0.119 0.000 1.066 353 M CA 1.549 56.571 55.300 -0.464 0.000 1.107 353 M CB -0.330 31.949 32.600 -0.535 0.000 1.356 353 M HN 0.035 nan 8.290 nan 0.000 0.406 354 I N -0.348 120.242 120.570 0.034 0.000 2.133 354 I HA -0.168 4.002 4.170 -0.000 0.000 0.238 354 I C 2.600 178.834 176.117 0.196 0.000 1.074 354 I CA 1.378 62.795 61.300 0.195 0.000 1.342 354 I CB -1.381 36.734 38.000 0.193 0.000 1.053 354 I HN 0.438 nan 8.210 nan 0.000 0.404 355 V N 0.202 120.240 119.914 0.207 0.000 2.490 355 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 355 V C 2.497 178.870 176.094 0.466 0.000 1.061 355 V CA 1.778 64.342 62.300 0.440 0.000 1.064 355 V CB -1.720 30.386 31.823 0.473 0.000 0.670 355 V HN 0.429 nan 8.190 nan 0.000 0.461 356 A N 0.362 123.199 122.820 0.029 0.000 1.872 356 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 356 A C 2.576 180.061 177.584 -0.164 0.000 1.187 356 A CA 2.075 53.864 52.037 -0.414 0.000 0.614 356 A CB -1.041 17.279 19.000 -1.133 0.000 0.826 356 A HN 0.618 nan 8.150 nan 0.000 0.442 357 S N -1.414 114.195 115.700 -0.152 0.000 2.370 357 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 357 S C 1.784 176.338 174.600 -0.077 0.000 1.033 357 S CA 1.719 59.767 58.200 -0.253 0.000 1.011 357 S CB -0.553 62.388 63.200 -0.431 0.000 0.852 357 S HN 0.531 nan 8.310 nan 0.000 0.457 358 F N 1.658 121.586 119.950 -0.037 0.000 2.075 358 F HA -0.048 4.479 4.527 -0.000 0.000 0.297 358 F C 1.952 177.727 175.800 -0.042 0.000 1.113 358 F CA 1.722 59.721 58.000 -0.002 0.000 1.218 358 F CB -0.661 38.390 39.000 0.084 0.000 0.984 358 F HN 0.302 nan 8.300 nan 0.000 0.472 359 L N -0.084 121.176 121.223 0.061 0.000 2.042 359 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 359 L C 2.224 179.009 176.870 -0.141 0.000 1.076 359 L CA 2.544 57.226 54.840 -0.262 0.000 0.749 359 L CB -1.200 40.458 42.059 -0.668 0.000 0.893 359 L HN 0.215 nan 8.230 nan 0.000 0.432 360 T N -0.715 113.817 114.554 -0.036 0.000 2.809 360 T HA -0.058 4.292 4.350 -0.000 0.000 0.260 360 T C 1.859 176.601 174.700 0.070 0.000 1.039 360 T CA 1.068 63.216 62.100 0.081 0.000 1.141 360 T CB 0.006 68.919 68.868 0.075 0.000 0.869 360 T HN 0.191 nan 8.240 nan 0.000 0.437 361 K N 1.265 121.521 120.400 -0.241 0.000 2.067 361 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 361 K C 1.924 178.400 176.600 -0.205 0.000 1.048 361 K CA 1.263 57.247 56.287 -0.505 0.000 0.954 361 K CB -0.482 31.689 32.500 -0.549 0.000 0.737 361 K HN 0.312 nan 8.250 nan 0.000 0.444 362 D N 0.920 121.142 120.400 -0.296 0.000 2.106 362 D HA -0.001 4.639 4.640 -0.000 0.000 0.203 362 D C 1.904 178.038 176.300 -0.277 0.000 0.977 362 D CA 0.764 54.531 54.000 -0.389 0.000 0.844 362 D CB 0.005 40.194 40.800 -1.018 0.000 1.002 362 D HN -0.024 nan 8.370 nan 0.000 0.461 363 L N 0.483 121.503 121.223 -0.337 0.000 2.395 363 L HA 0.060 4.400 4.340 -0.000 0.000 0.218 363 L C 0.367 177.279 176.870 0.070 0.000 1.130 363 L CA -0.013 54.759 54.840 -0.113 0.000 0.826 363 L CB -0.224 41.775 42.059 -0.099 0.000 0.941 363 L HN -0.021 nan 8.230 nan 0.000 0.451 364 I N -0.397 120.285 120.570 0.187 0.000 6.833 364 I HA -0.195 3.975 4.170 -0.000 0.000 0.126 364 I C 0.036 176.418 176.117 0.441 0.000 1.810 364 I CA 0.061 61.639 61.300 0.465 0.000 2.119 364 I CB -3.099 35.154 38.000 0.422 0.000 3.512 364 I HN 0.132 nan 8.210 nan 0.000 0.194 365 I N 0.666 121.369 120.570 0.223 0.000 2.404 365 I HA 0.443 4.612 4.170 -0.000 0.000 0.293 365 I C 0.756 176.604 176.117 -0.448 0.000 0.992 365 I CA -1.057 60.228 61.300 -0.024 0.000 1.149 365 I CB 1.619 39.540 38.000 -0.132 0.000 1.315 365 I HN 0.618 nan 8.210 nan 0.000 0.446 366 D N 5.622 125.525 120.400 -0.828 0.000 2.662 366 D HA -0.169 4.471 4.640 -0.000 0.000 0.237 366 D C 1.453 177.083 176.300 -1.116 0.000 1.154 366 D CA 0.147 53.095 54.000 -1.752 0.000 0.861 366 D CB 0.563 40.670 40.800 -1.154 0.000 1.146 366 D HN 0.834 nan 8.370 nan 0.000 0.518 367 W N 4.555 125.242 121.300 -1.022 0.000 2.480 367 W HA -0.133 4.527 4.660 -0.000 0.000 0.257 367 W C 1.205 177.293 176.519 -0.717 0.000 1.235 367 W CA -0.421 56.539 57.345 -0.642 0.000 1.218 367 W CB -0.550 28.773 29.460 -0.229 0.000 1.131 367 W HN 0.379 nan 8.180 nan 0.000 0.606 368 R N 0.560 120.668 120.500 -0.652 0.000 2.120 368 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 368 R C 2.452 178.491 176.300 -0.435 0.000 1.123 368 R CA 1.234 57.051 56.100 -0.471 0.000 0.975 368 R CB -0.213 29.738 30.300 -0.581 0.000 0.866 368 R HN -0.007 nan 8.270 nan 0.000 0.446 369 R N -0.434 119.736 120.500 -0.550 0.000 2.096 369 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 369 R C 2.175 178.283 176.300 -0.319 0.000 1.127 369 R CA 1.479 57.242 56.100 -0.561 0.000 0.968 369 R CB -0.850 28.822 30.300 -1.046 0.000 0.861 369 R HN 0.349 nan 8.270 nan 0.000 0.440 370 G N 0.874 109.291 108.800 -0.639 0.000 2.396 370 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.214 370 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.214 370 G C 1.381 175.604 174.900 -1.129 0.000 1.166 370 G CA 0.514 45.048 45.100 -0.944 0.000 0.793 370 G HN 0.438 nan 8.290 nan 0.000 0.533 371 E N 0.200 119.497 120.200 -1.505 0.000 2.058 371 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 371 E C 2.318 178.808 176.600 -0.183 0.000 0.997 371 E CA 1.559 57.392 56.400 -0.945 0.000 0.801 371 E CB -0.263 29.196 29.700 -0.400 0.000 0.746 371 E HN 0.617 nan 8.360 nan 0.000 0.450 372 Q N -0.565 119.168 119.800 -0.111 0.000 2.084 372 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 372 Q C 2.049 178.186 176.000 0.228 0.000 0.978 372 Q CA 1.595 57.432 55.803 0.056 0.000 0.844 372 Q CB -0.285 28.469 28.738 0.027 0.000 0.898 372 Q HN 0.391 nan 8.270 nan 0.000 0.426 373 F N 0.019 120.117 119.950 0.246 0.000 2.171 373 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 373 F C 1.538 177.684 175.800 0.578 0.000 1.090 373 F CA 1.043 59.327 58.000 0.473 0.000 1.293 373 F CB -0.189 39.208 39.000 0.663 0.000 1.013 373 F HN 0.119 nan 8.300 nan 0.000 0.486 374 F N -0.222 119.911 119.950 0.305 0.000 2.146 374 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 374 F C 2.369 178.208 175.800 0.065 0.000 1.096 374 F CA 1.145 59.281 58.000 0.227 0.000 1.275 374 F CB -0.951 38.304 39.000 0.425 0.000 1.008 374 F HN -0.055 nan 8.300 nan 0.000 0.480 375 M N -0.371 119.378 119.600 0.249 0.000 2.213 375 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 375 M C 1.823 178.109 176.300 -0.024 0.000 1.062 375 M CA 1.443 56.798 55.300 0.091 0.000 1.105 375 M CB -1.333 31.312 32.600 0.075 0.000 1.385 375 M HN 0.272 nan 8.290 nan 0.000 0.417 376 Q N -1.545 118.209 119.800 -0.076 0.000 2.472 376 Q HA -0.080 4.260 4.340 -0.000 0.000 0.208 376 Q C 1.013 176.625 176.000 -0.645 0.000 0.958 376 Q CA 0.653 56.283 55.803 -0.289 0.000 0.932 376 Q CB 0.233 28.809 28.738 -0.269 0.000 1.007 376 Q HN 0.637 nan 8.270 nan 0.000 0.508 377 H N -1.624 117.290 119.070 -0.260 0.000 3.643 377 H HA 0.213 4.769 4.556 -0.000 0.000 0.256 377 H C -0.020 175.145 175.328 -0.271 0.000 1.107 377 H CA -0.120 55.749 56.048 -0.299 0.000 1.175 377 H CB 0.990 30.495 29.762 -0.428 0.000 1.519 377 H HN 0.070 nan 8.280 nan 0.000 0.565 378 L N 1.909 123.054 121.223 -0.131 0.000 2.360 378 L HA 0.036 4.376 4.340 -0.000 0.000 0.276 378 L C 1.708 178.514 176.870 -0.107 0.000 1.121 378 L CA -0.066 54.690 54.840 -0.139 0.000 0.845 378 L CB 1.953 43.935 42.059 -0.128 0.000 1.143 378 L HN -0.013 nan 8.230 nan 0.000 0.452 379 V N 2.605 122.471 119.914 -0.081 0.000 2.913 379 V HA -0.174 3.946 4.120 -0.000 0.000 0.260 379 V C 1.308 177.394 176.094 -0.012 0.000 1.098 379 V CA 2.147 64.419 62.300 -0.045 0.000 1.121 379 V CB -0.304 31.530 31.823 0.020 0.000 0.714 379 V HN 1.056 nan 8.190 nan 0.000 0.487 380 D N -0.609 119.777 120.400 -0.023 0.000 2.440 380 D HA 0.185 4.825 4.640 -0.000 0.000 0.216 380 D C 1.096 177.345 176.300 -0.084 0.000 1.150 380 D CA 0.267 54.229 54.000 -0.063 0.000 0.832 380 D CB -0.524 40.271 40.800 -0.007 0.000 0.992 380 D HN 0.334 nan 8.370 nan 0.000 0.502 381 G N 0.827 109.591 108.800 -0.059 0.000 2.113 381 G HA2 0.146 4.106 3.960 -0.000 0.000 0.263 381 G HA3 0.146 4.106 3.960 -0.000 0.000 0.263 381 G C -0.669 174.195 174.900 -0.060 0.000 0.954 381 G CA 0.182 45.263 45.100 -0.031 0.000 0.996 381 G HN 0.328 nan 8.290 nan 0.000 0.381 382 D N 1.857 122.238 120.400 -0.033 0.000 2.696 382 D HA 0.253 4.893 4.640 -0.000 0.000 0.251 382 D C 1.141 177.441 176.300 -0.000 0.000 1.188 382 D CA -0.859 53.115 54.000 -0.044 0.000 0.876 382 D CB 1.299 42.062 40.800 -0.062 0.000 1.334 382 D HN 0.101 nan 8.370 nan 0.000 0.540 383 L N 4.804 126.035 121.223 0.014 0.000 1.978 383 L HA -0.110 4.230 4.340 -0.000 0.000 0.218 383 L C 2.030 178.916 176.870 0.027 0.000 1.075 383 L CA 2.819 57.682 54.840 0.038 0.000 0.767 383 L CB -0.928 41.162 42.059 0.052 0.000 0.890 383 L HN 0.637 nan 8.230 nan 0.000 0.434 384 A N -0.817 122.021 122.820 0.030 0.000 1.883 384 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 384 A C 2.410 179.963 177.584 -0.052 0.000 1.186 384 A CA 2.522 54.577 52.037 0.031 0.000 0.624 384 A CB -1.310 17.739 19.000 0.081 0.000 0.822 384 A HN 0.651 nan 8.150 nan 0.000 0.444 385 A N -0.422 122.360 122.820 -0.064 0.000 1.897 385 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 385 A C 1.980 179.428 177.584 -0.228 0.000 1.181 385 A CA 1.910 53.841 52.037 -0.176 0.000 0.620 385 A CB -0.667 18.279 19.000 -0.089 0.000 0.821 385 A HN 0.600 nan 8.150 nan 0.000 0.443 386 N N 0.499 119.157 118.700 -0.069 0.000 2.106 386 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 386 N C 1.742 177.285 175.510 0.054 0.000 1.029 386 N CA 1.720 54.806 53.050 0.060 0.000 0.848 386 N CB -0.369 38.228 38.487 0.182 0.000 1.007 386 N HN 0.541 nan 8.380 nan 0.000 0.423 387 N N -0.225 118.469 118.700 -0.010 0.000 2.188 387 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 387 N C 1.726 177.090 175.510 -0.242 0.000 1.018 387 N CA 1.352 54.373 53.050 -0.049 0.000 0.858 387 N CB -0.396 38.108 38.487 0.029 0.000 0.989 387 N HN 0.368 nan 8.380 nan 0.000 0.426 388 G N 0.032 108.606 108.800 -0.378 0.000 2.418 388 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 388 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 388 G C 1.535 176.069 174.900 -0.610 0.000 1.158 388 G CA 1.036 45.726 45.100 -0.684 0.000 0.771 388 G HN 0.456 nan 8.290 nan 0.000 0.545 389 G N -0.170 108.270 108.800 -0.600 0.000 2.418 389 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 389 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 389 G C 1.590 176.138 174.900 -0.587 0.000 1.158 389 G CA 0.736 45.474 45.100 -0.602 0.000 0.771 389 G HN 0.510 nan 8.290 nan 0.000 0.545 390 W N 0.550 121.514 121.300 -0.561 0.000 2.518 390 W HA 0.140 4.800 4.660 -0.000 0.000 0.273 390 W C 2.921 178.590 176.519 -1.416 0.000 1.247 390 W CA 0.505 57.316 57.345 -0.889 0.000 1.288 390 W CB 0.177 29.083 29.460 -0.924 0.000 1.107 390 W HN 0.139 nan 8.180 nan 0.000 0.586 391 Q N -0.993 118.239 119.800 -0.948 0.000 2.167 391 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 391 Q C 1.870 177.601 176.000 -0.449 0.000 0.970 391 Q CA 1.465 56.844 55.803 -0.706 0.000 0.855 391 Q CB -0.944 27.636 28.738 -0.263 0.000 0.911 391 Q HN 0.561 nan 8.270 nan 0.000 0.438 392 W N 2.047 123.035 121.300 -0.520 0.000 2.363 392 W HA -0.190 4.469 4.660 -0.000 0.000 0.296 392 W C 2.175 178.403 176.519 -0.485 0.000 1.212 392 W CA 1.945 59.044 57.345 -0.409 0.000 1.260 392 W CB -0.163 29.056 29.460 -0.402 0.000 1.131 392 W HN 0.119 nan 8.180 nan 0.000 0.530 393 S N 0.083 115.439 115.700 -0.573 0.000 2.595 393 S HA 0.088 4.558 4.470 -0.000 0.000 0.235 393 S C 1.241 175.365 174.600 -0.793 0.000 0.974 393 S CA 0.903 58.603 58.200 -0.832 0.000 0.942 393 S CB -0.348 62.575 63.200 -0.461 0.000 0.766 393 S HN 0.424 nan 8.310 nan 0.000 0.536 394 A N -0.452 121.907 122.820 -0.769 0.000 2.701 394 A HA 0.658 4.978 4.320 -0.000 0.000 0.241 394 A C 0.878 177.937 177.584 -0.875 0.000 1.231 394 A CA 0.234 51.759 52.037 -0.854 0.000 1.003 394 A CB -0.251 18.212 19.000 -0.895 0.000 1.281 394 A HN 0.639 nan 8.150 nan 0.000 0.600 395 S N 0.302 115.631 115.700 -0.619 0.000 3.581 395 S HA -0.199 4.271 4.470 -0.000 0.000 0.354 395 S C 1.167 175.602 174.600 -0.276 0.000 1.059 395 S CA 1.112 59.112 58.200 -0.332 0.000 1.060 395 S CB -1.782 61.311 63.200 -0.179 0.000 0.908 395 S HN 1.561 nan 8.310 nan 0.000 0.475 396 S N -1.055 114.392 115.700 -0.423 0.000 2.575 396 S HA 0.470 4.939 4.470 -0.000 0.000 0.215 396 S C 1.099 175.813 174.600 0.190 0.000 0.966 396 S CA 0.299 58.370 58.200 -0.216 0.000 0.911 396 S CB 0.729 63.811 63.200 -0.197 0.000 0.780 396 S HN 0.831 nan 8.310 nan 0.000 0.514 397 G N 1.396 110.274 108.800 0.130 0.000 3.364 397 G HA2 0.517 4.477 3.960 -0.000 0.000 0.191 397 G HA3 0.517 4.477 3.960 -0.000 0.000 0.191 397 G C -0.181 174.816 174.900 0.162 0.000 1.352 397 G CA -0.702 44.508 45.100 0.182 0.000 0.758 397 G HN 0.188 nan 8.290 nan 0.000 0.730 398 M N 0.865 120.543 119.600 0.130 0.000 2.198 398 M HA 0.214 4.693 4.480 -0.000 0.000 0.315 398 M C 0.243 176.755 176.300 0.353 0.000 1.134 398 M CA 0.146 55.587 55.300 0.235 0.000 1.171 398 M CB 0.238 32.988 32.600 0.250 0.000 1.413 398 M HN 0.626 nan 8.290 nan 0.000 0.467 399 D N 1.429 122.074 120.400 0.408 0.000 2.755 399 D HA -0.112 4.528 4.640 -0.000 0.000 0.227 399 D C -2.136 174.311 176.300 0.245 0.000 1.211 399 D CA 0.173 54.375 54.000 0.337 0.000 0.663 399 D CB -0.491 40.538 40.800 0.381 0.000 0.983 399 D HN 0.276 nan 8.370 nan 0.000 0.407 400 P HA 0.120 nan 4.420 nan 0.000 0.268 400 P C -0.290 177.080 177.300 0.116 0.000 1.205 400 P CA 0.056 63.240 63.100 0.140 0.000 0.771 400 P CB 0.911 32.714 31.700 0.171 0.000 0.858 401 K N 2.293 122.729 120.400 0.059 0.000 2.400 401 K HA 0.556 4.876 4.320 -0.000 0.000 0.246 401 K C -2.452 174.173 176.600 0.041 0.000 0.995 401 K CA -2.197 54.121 56.287 0.051 0.000 0.840 401 K CB 0.170 32.682 32.500 0.020 0.000 1.293 401 K HN 0.255 nan 8.250 nan 0.000 0.445 402 P HA 0.017 nan 4.420 nan 0.000 0.267 402 P C -0.271 177.028 177.300 -0.001 0.000 1.200 402 P CA -0.539 62.595 63.100 0.056 0.000 0.772 402 P CB 0.305 32.040 31.700 0.058 0.000 0.855 403 L N 3.220 124.433 121.223 -0.017 0.000 2.615 403 L HA 0.035 4.375 4.340 -0.000 0.000 0.284 403 L C 0.455 177.261 176.870 -0.107 0.000 1.237 403 L CA 1.273 56.027 54.840 -0.143 0.000 0.905 403 L CB -0.355 41.518 42.059 -0.310 0.000 1.149 403 L HN 0.402 nan 8.230 nan 0.000 0.499 404 R N 3.811 124.217 120.500 -0.157 0.000 2.594 404 R HA 0.654 4.993 4.340 -0.000 0.000 0.265 404 R C -2.095 174.122 176.300 -0.139 0.000 1.070 404 R CA -0.664 55.381 56.100 -0.092 0.000 0.909 404 R CB 1.524 31.804 30.300 -0.032 0.000 1.243 404 R HN 0.446 nan 8.270 nan 0.000 0.455 405 I N 3.906 124.460 120.570 -0.026 0.000 2.447 405 I HA 0.451 4.620 4.170 -0.000 0.000 0.287 405 I C -0.350 175.912 176.117 0.242 0.000 1.023 405 I CA -1.004 60.291 61.300 -0.009 0.000 1.083 405 I CB 1.098 39.063 38.000 -0.060 0.000 1.245 405 I HN 0.481 nan 8.210 nan 0.000 0.434 406 F N 4.013 123.949 119.950 -0.024 0.000 2.518 406 F HA 0.244 4.771 4.527 -0.000 0.000 0.359 406 F C 1.112 176.952 175.800 0.066 0.000 1.118 406 F CA -0.149 57.877 58.000 0.043 0.000 1.287 406 F CB 0.341 39.379 39.000 0.063 0.000 1.132 406 F HN 0.541 nan 8.300 nan 0.000 0.587 407 N N 5.531 124.313 118.700 0.135 0.000 2.485 407 N HA 0.218 4.958 4.740 -0.000 0.000 0.243 407 N C -2.088 173.405 175.510 -0.029 0.000 0.987 407 N CA -1.973 51.029 53.050 -0.080 0.000 0.940 407 N CB 1.552 40.040 38.487 0.003 0.000 1.122 407 N HN 0.115 nan 8.380 nan 0.000 0.509 408 P HA -0.202 nan 4.420 nan 0.000 0.218 408 P C 0.905 178.275 177.300 0.116 0.000 1.154 408 P CA 1.850 65.039 63.100 0.148 0.000 0.872 408 P CB 0.287 32.161 31.700 0.291 0.000 0.790 409 A N -0.971 121.894 122.820 0.075 0.000 1.902 409 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 409 A C 2.333 179.929 177.584 0.021 0.000 1.181 409 A CA 2.256 54.326 52.037 0.054 0.000 0.623 409 A CB -1.471 17.555 19.000 0.043 0.000 0.818 409 A HN 0.162 nan 8.150 nan 0.000 0.443 410 S N -0.137 115.561 115.700 -0.003 0.000 2.368 410 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 410 S C 2.129 176.686 174.600 -0.071 0.000 1.030 410 S CA 1.351 59.523 58.200 -0.045 0.000 0.999 410 S CB -0.327 62.838 63.200 -0.058 0.000 0.844 410 S HN 0.595 nan 8.310 nan 0.000 0.459 411 Q N 1.181 120.975 119.800 -0.011 0.000 2.050 411 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 411 Q C 2.633 178.714 176.000 0.135 0.000 0.980 411 Q CA 1.520 57.381 55.803 0.098 0.000 0.840 411 Q CB -0.782 28.066 28.738 0.183 0.000 0.898 411 Q HN 0.571 nan 8.270 nan 0.000 0.424 412 A N 1.708 124.593 122.820 0.108 0.000 1.865 412 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 412 A C 2.152 179.764 177.584 0.046 0.000 1.191 412 A CA 2.064 54.163 52.037 0.103 0.000 0.623 412 A CB -0.570 18.488 19.000 0.097 0.000 0.826 412 A HN 0.333 nan 8.150 nan 0.000 0.444 413 K N -0.353 120.043 120.400 -0.006 0.000 2.097 413 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 413 K C 2.179 178.713 176.600 -0.110 0.000 1.049 413 K CA 1.790 58.050 56.287 -0.045 0.000 0.933 413 K CB -0.170 32.300 32.500 -0.050 0.000 0.717 413 K HN 0.454 nan 8.250 nan 0.000 0.442 414 K N -0.599 119.667 120.400 -0.224 0.000 2.031 414 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 414 K C 1.189 177.486 176.600 -0.505 0.000 1.049 414 K CA 1.301 57.295 56.287 -0.489 0.000 0.939 414 K CB 0.065 32.046 32.500 -0.865 0.000 0.717 414 K HN 0.106 nan 8.250 nan 0.000 0.438 415 F N -0.552 119.453 119.950 0.092 0.000 2.678 415 F HA 0.182 4.709 4.527 -0.000 0.000 0.305 415 F C 0.180 176.095 175.800 0.190 0.000 1.090 415 F CA -0.250 57.867 58.000 0.196 0.000 1.272 415 F CB 0.678 39.691 39.000 0.021 0.000 1.060 415 F HN -0.047 nan 8.300 nan 0.000 0.576 416 D N -0.447 120.065 120.400 0.187 0.000 3.078 416 D HA 0.369 5.009 4.640 -0.000 0.000 0.363 416 D C 1.399 177.726 176.300 0.045 0.000 1.391 416 D CA 0.266 54.338 54.000 0.119 0.000 0.754 416 D CB 0.147 41.033 40.800 0.143 0.000 1.238 416 D HN 0.017 nan 8.370 nan 0.000 0.500 417 A N -0.435 122.379 122.820 -0.009 0.000 1.971 417 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 417 A C 1.977 179.542 177.584 -0.033 0.000 1.182 417 A CA 2.424 54.436 52.037 -0.041 0.000 0.649 417 A CB -0.731 18.220 19.000 -0.082 0.000 0.818 417 A HN 0.450 nan 8.150 nan 0.000 0.458 418 T N -4.516 110.017 114.554 -0.035 0.000 3.122 418 T HA 0.506 4.856 4.350 -0.000 0.000 0.250 418 T C 0.951 175.643 174.700 -0.013 0.000 1.067 418 T CA 0.951 63.031 62.100 -0.033 0.000 0.966 418 T CB 0.048 68.887 68.868 -0.049 0.000 1.002 418 T HN 1.812 nan 8.240 nan 0.000 0.542 419 A N 0.700 123.531 122.820 0.017 0.000 2.816 419 A HA -0.264 4.055 4.320 -0.000 0.000 0.270 419 A C 1.628 179.237 177.584 0.042 0.000 1.413 419 A CA 1.489 53.549 52.037 0.039 0.000 0.866 419 A CB -2.782 16.220 19.000 0.002 0.000 1.032 419 A HN 0.556 nan 8.150 nan 0.000 0.642 420 T N -1.770 112.812 114.554 0.047 0.000 2.684 420 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 420 T C 1.493 176.241 174.700 0.081 0.000 1.036 420 T CA 2.000 64.121 62.100 0.035 0.000 1.148 420 T CB -0.288 68.598 68.868 0.031 0.000 0.863 420 T HN 0.793 nan 8.240 nan 0.000 0.436 421 Y N 1.555 121.882 120.300 0.046 0.000 2.200 421 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 421 Y C 2.391 178.385 175.900 0.156 0.000 1.137 421 Y CA 0.714 58.891 58.100 0.128 0.000 1.163 421 Y CB -0.556 37.995 38.460 0.151 0.000 0.988 421 Y HN 0.040 nan 8.280 nan 0.000 0.518 422 I N 0.469 121.154 120.570 0.192 0.000 2.127 422 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 422 I C 2.355 178.442 176.117 -0.049 0.000 1.075 422 I CA 1.827 63.174 61.300 0.077 0.000 1.334 422 I CB -1.221 36.819 38.000 0.067 0.000 1.040 422 I HN 0.309 nan 8.210 nan 0.000 0.405 423 K N -0.002 120.358 120.400 -0.067 0.000 2.103 423 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 423 K C 2.400 178.895 176.600 -0.175 0.000 1.048 423 K CA 1.768 57.988 56.287 -0.112 0.000 0.930 423 K CB -0.369 32.071 32.500 -0.100 0.000 0.716 423 K HN 0.383 nan 8.250 nan 0.000 0.444 424 R N 0.090 120.443 120.500 -0.245 0.000 2.083 424 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 424 R C 1.307 177.218 176.300 -0.649 0.000 1.137 424 R CA 1.890 57.708 56.100 -0.470 0.000 0.951 424 R CB -0.132 29.821 30.300 -0.579 0.000 0.851 424 R HN 0.294 nan 8.270 nan 0.000 0.434 425 W N -0.209 120.921 121.300 -0.283 0.000 3.211 425 W HA 0.267 4.927 4.660 -0.000 0.000 0.292 425 W C -0.022 176.404 176.519 -0.156 0.000 1.268 425 W CA -0.318 56.885 57.345 -0.237 0.000 1.702 425 W CB 0.595 29.848 29.460 -0.345 0.000 1.092 425 W HN -0.040 nan 8.180 nan 0.000 0.643 426 L N 2.536 123.747 121.223 -0.019 0.000 2.594 426 L HA 0.233 4.573 4.340 -0.000 0.000 0.245 426 L C -1.330 175.492 176.870 -0.079 0.000 1.460 426 L CA -1.276 53.540 54.840 -0.040 0.000 0.865 426 L CB 0.970 42.970 42.059 -0.098 0.000 1.131 426 L HN -0.274 nan 8.230 nan 0.000 0.506 427 P HA -0.217 nan 4.420 nan 0.000 0.219 427 P C 0.946 178.233 177.300 -0.022 0.000 1.146 427 P CA 1.241 64.299 63.100 -0.069 0.000 0.808 427 P CB 0.239 31.890 31.700 -0.082 0.000 0.779 428 E N -0.146 120.053 120.200 -0.003 0.000 2.516 428 E HA -0.070 4.280 4.350 -0.000 0.000 0.199 428 E C 0.720 177.384 176.600 0.108 0.000 1.069 428 E CA 0.490 56.916 56.400 0.042 0.000 0.876 428 E CB -0.444 29.287 29.700 0.052 0.000 0.843 428 E HN 0.249 nan 8.360 nan 0.000 0.530 429 L N 0.740 121.974 121.223 0.017 0.000 3.229 429 L HA 0.235 4.575 4.340 -0.000 0.000 0.286 429 L C 1.663 178.456 176.870 -0.128 0.000 1.239 429 L CA -0.126 54.660 54.840 -0.090 0.000 1.035 429 L CB 0.453 42.342 42.059 -0.284 0.000 1.408 429 L HN -0.053 nan 8.230 nan 0.000 0.593 430 R N 0.341 120.844 120.500 0.005 0.000 2.148 430 R HA -0.123 4.217 4.340 -0.000 0.000 0.227 430 R C 1.950 178.229 176.300 -0.036 0.000 1.103 430 R CA 1.437 57.514 56.100 -0.037 0.000 0.983 430 R CB -0.053 30.234 30.300 -0.021 0.000 0.874 430 R HN 0.621 nan 8.270 nan 0.000 0.451 431 H N -1.169 117.860 119.070 -0.068 0.000 2.502 431 H HA 0.070 4.626 4.556 -0.000 0.000 0.283 431 H C 0.656 175.963 175.328 -0.035 0.000 1.015 431 H CA 0.072 56.088 56.048 -0.053 0.000 1.298 431 H CB -0.797 28.950 29.762 -0.025 0.000 1.411 431 H HN -0.156 nan 8.280 nan 0.000 0.556 432 V N 2.479 122.008 119.914 -0.641 0.000 2.963 432 V HA -0.034 4.086 4.120 -0.000 0.000 0.306 432 V C 0.122 176.130 176.094 -0.144 0.000 1.077 432 V CA -0.100 61.978 62.300 -0.369 0.000 1.124 432 V CB 0.518 32.102 31.823 -0.399 0.000 0.987 432 V HN 0.402 nan 8.190 nan 0.000 0.487 433 H N 4.549 123.534 119.070 -0.142 0.000 2.646 433 H HA 0.228 4.783 4.556 -0.000 0.000 0.325 433 H C -1.631 173.648 175.328 -0.082 0.000 1.075 433 H CA -1.618 54.377 56.048 -0.088 0.000 1.421 433 H CB 0.711 30.437 29.762 -0.060 0.000 1.461 433 H HN 0.374 nan 8.280 nan 0.000 0.525 434 P HA -0.278 nan 4.420 nan 0.000 0.218 434 P C 1.515 178.822 177.300 0.012 0.000 1.154 434 P CA 1.643 64.736 63.100 -0.012 0.000 0.872 434 P CB 0.378 32.064 31.700 -0.023 0.000 0.790 435 K N 0.173 120.596 120.400 0.039 0.000 2.059 435 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 435 K C 1.609 178.216 176.600 0.012 0.000 1.050 435 K CA 2.126 58.429 56.287 0.026 0.000 0.927 435 K CB -1.058 31.463 32.500 0.034 0.000 0.714 435 K HN 0.092 nan 8.250 nan 0.000 0.447 436 D N -0.156 120.252 120.400 0.013 0.000 2.194 436 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 436 D C 1.960 178.250 176.300 -0.017 0.000 0.964 436 D CA 0.881 54.877 54.000 -0.007 0.000 0.846 436 D CB 0.009 40.800 40.800 -0.015 0.000 0.962 436 D HN 0.240 nan 8.370 nan 0.000 0.490 437 L N 0.674 121.881 121.223 -0.026 0.000 2.201 437 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 437 L C 2.637 179.506 176.870 -0.000 0.000 1.105 437 L CA 0.418 55.236 54.840 -0.038 0.000 0.775 437 L CB -0.241 41.783 42.059 -0.057 0.000 0.913 437 L HN -0.022 nan 8.230 nan 0.000 0.440 438 I N -0.879 119.696 120.570 0.009 0.000 2.333 438 I HA -0.150 4.020 4.170 -0.000 0.000 0.246 438 I C 2.737 178.868 176.117 0.024 0.000 1.106 438 I CA 1.250 62.565 61.300 0.025 0.000 1.411 438 I CB -0.651 37.359 38.000 0.016 0.000 1.082 438 I HN 0.521 nan 8.210 nan 0.000 0.420 439 S N 0.182 115.888 115.700 0.009 0.000 2.461 439 S HA 0.136 4.606 4.470 -0.000 0.000 0.228 439 S C 1.971 176.563 174.600 -0.014 0.000 1.005 439 S CA 0.805 59.009 58.200 0.007 0.000 0.942 439 S CB -0.174 63.028 63.200 0.003 0.000 0.776 439 S HN 1.261 nan 8.310 nan 0.000 0.514 440 G N 1.018 109.802 108.800 -0.027 0.000 2.162 440 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 440 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 440 G C -0.277 174.579 174.900 -0.074 0.000 0.976 440 G CA 0.293 45.346 45.100 -0.078 0.000 0.655 440 G HN 0.646 nan 8.290 nan 0.000 0.533 441 E N 0.406 120.585 120.200 -0.035 0.000 2.028 441 E HA 0.485 4.835 4.350 -0.000 0.000 0.266 441 E C -0.154 176.444 176.600 -0.004 0.000 0.962 441 E CA -0.439 55.950 56.400 -0.018 0.000 0.784 441 E CB 1.183 30.878 29.700 -0.009 0.000 1.114 441 E HN 0.272 nan 8.360 nan 0.000 0.414 442 I N 1.490 122.069 120.570 0.014 0.000 2.433 442 I HA 0.198 4.368 4.170 -0.000 0.000 0.292 442 I C 0.705 176.844 176.117 0.037 0.000 1.001 442 I CA -1.191 60.124 61.300 0.025 0.000 1.119 442 I CB 1.355 39.385 38.000 0.051 0.000 1.289 442 I HN 0.531 nan 8.210 nan 0.000 0.438 443 T N 3.106 117.677 114.554 0.029 0.000 2.888 443 T HA 0.169 4.519 4.350 -0.000 0.000 0.301 443 T C -1.595 173.138 174.700 0.055 0.000 1.001 443 T CA -0.947 61.173 62.100 0.034 0.000 1.147 443 T CB 0.621 69.504 68.868 0.024 0.000 0.931 443 T HN 0.453 nan 8.240 nan 0.000 0.541 444 P HA -0.236 nan 4.420 nan 0.000 0.218 444 P C 1.876 179.218 177.300 0.070 0.000 1.165 444 P CA 0.962 64.097 63.100 0.059 0.000 0.922 444 P CB -0.172 31.553 31.700 0.043 0.000 0.794 445 I N -0.443 120.162 120.570 0.059 0.000 2.151 445 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 445 I C 2.262 178.436 176.117 0.094 0.000 1.080 445 I CA 2.116 63.452 61.300 0.061 0.000 1.339 445 I CB -1.396 36.631 38.000 0.045 0.000 1.039 445 I HN 0.094 nan 8.210 nan 0.000 0.409 446 E N -0.476 119.793 120.200 0.116 0.000 2.418 446 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 446 E C 2.365 179.123 176.600 0.263 0.000 1.026 446 E CA 0.583 57.106 56.400 0.205 0.000 0.862 446 E CB -0.220 29.559 29.700 0.132 0.000 0.799 446 E HN 0.592 nan 8.360 nan 0.000 0.518 447 R N -0.116 120.487 120.500 0.171 0.000 2.240 447 R HA -0.047 4.293 4.340 -0.000 0.000 0.203 447 R C 0.543 176.967 176.300 0.207 0.000 1.011 447 R CA 0.350 56.564 56.100 0.190 0.000 1.007 447 R CB 0.122 30.524 30.300 0.170 0.000 0.911 447 R HN -0.040 nan 8.270 nan 0.000 0.468 448 R N -2.227 118.365 120.500 0.153 0.000 3.869 448 R HA -0.236 4.104 4.340 -0.000 0.000 0.424 448 R C 1.229 177.593 176.300 0.107 0.000 0.241 448 R CA 1.936 58.099 56.100 0.105 0.000 1.351 448 R CB -1.843 28.510 30.300 0.088 0.000 0.979 448 R HN 0.406 nan 8.270 nan 0.000 0.572 449 G N -1.423 107.444 108.800 0.112 0.000 2.939 449 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.210 449 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.210 449 G C -0.265 174.715 174.900 0.132 0.000 1.160 449 G CA 0.247 45.406 45.100 0.098 0.000 0.770 449 G HN 0.405 nan 8.290 nan 0.000 0.543 450 Y N 3.641 123.968 120.300 0.046 0.000 2.632 450 Y HA 0.228 4.778 4.550 -0.000 0.000 0.329 450 Y C -1.639 174.284 175.900 0.039 0.000 1.174 450 Y CA -2.716 55.409 58.100 0.042 0.000 1.469 450 Y CB 0.644 39.130 38.460 0.045 0.000 1.242 450 Y HN 0.025 nan 8.280 nan 0.000 0.540 451 P HA 0.128 nan 4.420 nan 0.000 0.270 451 P C -1.052 176.041 177.300 -0.347 0.000 1.223 451 P CA -0.172 62.731 63.100 -0.328 0.000 0.785 451 P CB 0.803 32.332 31.700 -0.286 0.000 0.923 452 A N 2.904 125.646 122.820 -0.131 0.000 2.287 452 A HA 0.526 4.846 4.320 -0.000 0.000 0.273 452 A C -2.191 175.368 177.584 -0.041 0.000 1.091 452 A CA -1.769 50.233 52.037 -0.059 0.000 0.817 452 A CB -1.284 17.714 19.000 -0.003 0.000 1.069 452 A HN 0.393 nan 8.150 nan 0.000 0.492 453 P HA 0.002 nan 4.420 nan 0.000 0.262 453 P C 1.114 178.538 177.300 0.207 0.000 1.182 453 P CA 0.322 63.469 63.100 0.079 0.000 0.761 453 P CB 0.161 31.816 31.700 -0.076 0.000 0.795 454 I N 1.355 122.120 120.570 0.326 0.000 3.111 454 I HA 0.067 4.237 4.170 -0.000 0.000 0.272 454 I C 0.733 177.007 176.117 0.261 0.000 1.268 454 I CA 0.433 61.884 61.300 0.251 0.000 1.467 454 I CB -1.478 36.669 38.000 0.245 0.000 1.087 454 I HN 0.254 nan 8.210 nan 0.000 0.467 455 V N -2.390 117.746 119.914 0.370 0.000 3.147 455 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 455 V C -0.639 175.668 176.094 0.354 0.000 1.209 455 V CA -0.957 61.514 62.300 0.286 0.000 1.023 455 V CB 1.658 33.602 31.823 0.201 0.000 1.059 455 V HN 0.396 nan 8.190 nan 0.000 0.435 456 N N 0.828 119.674 118.700 0.243 0.000 2.437 456 N HA 0.177 4.917 4.740 -0.000 0.000 0.243 456 N C 0.768 176.431 175.510 0.255 0.000 1.041 456 N CA 0.018 53.211 53.050 0.239 0.000 0.940 456 N CB 0.971 39.545 38.487 0.146 0.000 1.133 456 N HN 1.069 nan 8.380 nan 0.000 0.506 457 H N 4.550 123.791 119.070 0.286 0.000 2.321 457 H HA -0.199 4.357 4.556 -0.000 0.000 0.295 457 H C 1.408 176.819 175.328 0.138 0.000 1.102 457 H CA 2.618 58.800 56.048 0.225 0.000 1.266 457 H CB 0.059 30.009 29.762 0.313 0.000 1.363 457 H HN 0.670 nan 8.280 nan 0.000 0.492 458 N N -0.339 118.370 118.700 0.015 0.000 2.149 458 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 458 N C 1.982 177.461 175.510 -0.052 0.000 1.019 458 N CA 1.446 54.460 53.050 -0.060 0.000 0.857 458 N CB -0.255 38.263 38.487 0.052 0.000 0.997 458 N HN 0.452 nan 8.380 nan 0.000 0.426 459 L N -0.224 121.003 121.223 0.007 0.000 2.109 459 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 459 L C 2.347 179.222 176.870 0.009 0.000 1.086 459 L CA 0.677 55.529 54.840 0.019 0.000 0.760 459 L CB -0.266 41.821 42.059 0.047 0.000 0.910 459 L HN 0.138 nan 8.230 nan 0.000 0.437 460 R N -0.020 120.477 120.500 -0.005 0.000 2.075 460 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 460 R C 2.052 178.353 176.300 0.003 0.000 1.126 460 R CA 1.198 57.303 56.100 0.008 0.000 0.963 460 R CB -0.768 29.522 30.300 -0.017 0.000 0.858 460 R HN 0.465 nan 8.270 nan 0.000 0.435 461 Q N 1.252 120.971 119.800 -0.135 0.000 2.061 461 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 461 Q C 1.707 177.723 176.000 0.026 0.000 0.984 461 Q CA 1.795 57.528 55.803 -0.117 0.000 0.846 461 Q CB 0.102 28.665 28.738 -0.292 0.000 0.902 461 Q HN 0.274 nan 8.270 nan 0.000 0.421 462 K N 0.012 120.419 120.400 0.011 0.000 2.057 462 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 462 K C 2.230 178.872 176.600 0.071 0.000 1.050 462 K CA 1.448 57.760 56.287 0.042 0.000 0.935 462 K CB -0.172 32.342 32.500 0.023 0.000 0.715 462 K HN 0.327 nan 8.250 nan 0.000 0.439 463 Q N 0.339 120.181 119.800 0.071 0.000 2.061 463 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 463 Q C 2.006 178.069 176.000 0.106 0.000 0.984 463 Q CA 1.589 57.431 55.803 0.066 0.000 0.846 463 Q CB -0.135 28.641 28.738 0.064 0.000 0.902 463 Q HN 0.242 nan 8.270 nan 0.000 0.421 464 F N 1.157 121.147 119.950 0.067 0.000 2.102 464 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 464 F C 2.025 177.931 175.800 0.176 0.000 1.105 464 F CA 1.715 59.811 58.000 0.160 0.000 1.239 464 F CB -0.020 39.055 39.000 0.126 0.000 0.991 464 F HN -0.025 nan 8.300 nan 0.000 0.474 465 K N 0.043 120.665 120.400 0.369 0.000 2.063 465 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 465 K C 2.294 179.000 176.600 0.176 0.000 1.048 465 K CA 1.277 57.733 56.287 0.281 0.000 0.928 465 K CB -0.624 31.984 32.500 0.180 0.000 0.713 465 K HN 0.349 nan 8.250 nan 0.000 0.442 466 A N 1.671 124.542 122.820 0.084 0.000 1.865 466 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 466 A C 2.186 179.728 177.584 -0.069 0.000 1.191 466 A CA 1.413 53.453 52.037 0.005 0.000 0.623 466 A CB -0.793 18.197 19.000 -0.017 0.000 0.826 466 A HN 0.161 nan 8.150 nan 0.000 0.444 467 L N -2.256 118.881 121.223 -0.144 0.000 2.012 467 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 467 L C 2.608 179.295 176.870 -0.306 0.000 1.073 467 L CA 2.032 56.667 54.840 -0.342 0.000 0.748 467 L CB -0.809 40.880 42.059 -0.616 0.000 0.891 467 L HN 0.579 nan 8.230 nan 0.000 0.431 468 Y N 1.515 121.672 120.300 -0.237 0.000 2.053 468 Y HA -0.338 4.212 4.550 -0.000 0.000 0.277 468 Y C 2.643 178.455 175.900 -0.146 0.000 1.159 468 Y CA 1.989 60.016 58.100 -0.122 0.000 1.125 468 Y CB -0.414 38.075 38.460 0.049 0.000 0.969 468 Y HN 0.220 nan 8.280 nan 0.000 0.492 469 N N 0.260 118.939 118.700 -0.034 0.000 2.104 469 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 469 N C 1.801 177.198 175.510 -0.188 0.000 1.024 469 N CA 1.815 54.794 53.050 -0.119 0.000 0.853 469 N CB -0.482 38.008 38.487 0.007 0.000 1.008 469 N HN 0.613 nan 8.380 nan 0.000 0.424 470 Q N 0.185 119.878 119.800 -0.179 0.000 2.084 470 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 470 Q C 2.073 177.929 176.000 -0.241 0.000 0.978 470 Q CA 0.948 56.638 55.803 -0.188 0.000 0.844 470 Q CB -0.164 28.461 28.738 -0.189 0.000 0.898 470 Q HN 0.207 nan 8.270 nan 0.000 0.426 471 L N 1.232 122.261 121.223 -0.323 0.000 2.056 471 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 471 L C 2.216 178.876 176.870 -0.350 0.000 1.078 471 L CA 1.834 56.463 54.840 -0.353 0.000 0.749 471 L CB -0.422 41.369 42.059 -0.447 0.000 0.901 471 L HN 0.019 nan 8.230 nan 0.000 0.433 472 K N -0.734 119.399 120.400 -0.444 0.000 2.074 472 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 472 K C 1.927 178.377 176.600 -0.250 0.000 1.048 472 K CA 1.541 57.579 56.287 -0.415 0.000 0.926 472 K CB -0.209 31.978 32.500 -0.521 0.000 0.713 472 K HN 0.480 nan 8.250 nan 0.000 0.444 473 A N 0.900 123.594 122.820 -0.209 0.000 1.854 473 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 473 A C 2.345 179.847 177.584 -0.137 0.000 1.192 473 A CA 1.616 53.567 52.037 -0.144 0.000 0.611 473 A CB -0.937 17.991 19.000 -0.120 0.000 0.832 473 A HN 0.450 nan 8.150 nan 0.000 0.442 474 A N -0.431 122.296 122.820 -0.155 0.000 1.958 474 A HA -0.012 4.308 4.320 -0.000 0.000 0.221 474 A C 1.510 179.017 177.584 -0.129 0.000 1.178 474 A CA 1.648 53.602 52.037 -0.139 0.000 0.642 474 A CB -1.047 17.857 19.000 -0.161 0.000 0.816 474 A HN 0.402 nan 8.150 nan 0.000 0.453 475 I N 0.000 120.481 120.570 -0.148 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.223 61.300 -0.128 0.000 1.566 475 I CB 0.000 37.910 38.000 -0.151 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494