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 1tez_1_C 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 0.022 0.000 1.274 2 A CA 0.000 52.048 52.037 0.019 0.000 0.836 2 A CB 0.000 19.010 19.000 0.017 0.000 0.831 3 A N 1.728 124.564 122.820 0.026 0.000 2.324 3 A HA 0.758 5.090 4.320 0.019 0.000 0.330 3 A C -2.699 174.907 177.584 0.037 0.000 1.165 3 A CA -1.676 50.380 52.037 0.031 0.000 0.813 3 A CB 0.547 19.567 19.000 0.033 0.000 1.197 3 A HN 0.167 nan 8.150 nan 0.000 0.484 4 P HA 0.412 nan 4.420 nan 0.000 0.274 4 P C -0.830 176.507 177.300 0.063 0.000 1.246 4 P CA -0.045 63.083 63.100 0.047 0.000 0.795 4 P CB 0.878 32.605 31.700 0.044 0.000 1.006 5 I N 1.377 121.990 120.570 0.071 0.000 2.433 5 I HA 0.309 4.490 4.170 0.019 0.000 0.292 5 I C 0.174 176.369 176.117 0.130 0.000 1.001 5 I CA -0.995 60.364 61.300 0.098 0.000 1.119 5 I CB 1.508 39.535 38.000 0.045 0.000 1.289 5 I HN 0.118 nan 8.210 nan 0.000 0.438 6 L N 5.933 127.256 121.223 0.168 0.000 2.309 6 L HA 0.425 4.776 4.340 0.019 0.000 0.282 6 L C -0.888 176.146 176.870 0.274 0.000 1.036 6 L CA -0.507 54.440 54.840 0.180 0.000 0.806 6 L CB 1.497 43.627 42.059 0.117 0.000 1.220 6 L HN 0.425 nan 8.230 nan 0.000 0.429 7 F N 3.002 123.067 119.950 0.193 0.000 2.427 7 F HA 0.330 4.869 4.527 0.019 0.000 0.348 7 F C -0.811 175.146 175.800 0.262 0.000 1.125 7 F CA -0.728 57.406 58.000 0.224 0.000 0.989 7 F CB 1.004 40.089 39.000 0.141 0.000 1.165 7 F HN 0.413 nan 8.300 nan 0.000 0.442 8 W N 8.826 129.744 121.300 -0.637 0.000 2.342 8 W HA 0.297 4.969 4.660 0.020 0.000 0.310 8 W C -0.767 175.496 176.519 -0.427 0.000 1.128 8 W CA -0.803 56.316 57.345 -0.377 0.000 1.322 8 W CB -0.135 29.135 29.460 -0.317 0.000 1.251 8 W HN 0.477 nan 8.180 nan 0.000 0.439 9 H N 5.936 125.158 119.070 0.254 0.000 2.525 9 H HA 0.282 4.850 4.556 0.019 0.000 0.339 9 H C 0.241 175.624 175.328 0.092 0.000 1.109 9 H CA 0.167 56.401 56.048 0.310 0.000 1.352 9 H CB 1.806 31.915 29.762 0.579 0.000 1.461 9 H HN 0.420 nan 8.280 nan 0.000 0.533 10 R N 0.603 121.200 120.500 0.162 0.000 3.718 10 R HA 0.094 4.445 4.340 0.019 0.000 0.136 10 R C 0.654 177.160 176.300 0.343 0.000 0.698 10 R CA 0.172 56.305 56.100 0.055 0.000 1.110 10 R CB 0.455 30.524 30.300 -0.385 0.000 1.594 10 R HN 0.504 nan 8.270 nan 0.000 0.490 11 R N 1.069 121.713 120.500 0.241 0.000 2.698 11 R HA 0.279 4.631 4.340 0.019 0.000 0.422 11 R C -1.194 175.279 176.300 0.287 0.000 1.073 11 R CA -0.126 56.141 56.100 0.279 0.000 1.054 11 R CB 0.309 30.677 30.300 0.112 0.000 1.373 11 R HN 0.069 nan 8.270 nan 0.000 0.593 12 D N 0.957 121.577 120.400 0.366 0.000 2.945 12 D HA 0.077 4.728 4.640 0.019 0.000 0.340 12 D C -0.108 176.459 176.300 0.446 0.000 1.240 12 D CA -0.528 53.691 54.000 0.366 0.000 0.749 12 D CB -0.017 41.003 40.800 0.368 0.000 1.217 12 D HN 0.212 nan 8.370 nan 0.000 0.514 13 L N 1.692 123.108 121.223 0.323 0.000 2.416 13 L HA 0.280 4.631 4.340 0.019 0.000 0.243 13 L C 0.617 177.528 176.870 0.068 0.000 1.373 13 L CA 0.086 55.018 54.840 0.154 0.000 1.227 13 L CB -0.858 41.238 42.059 0.062 0.000 1.428 13 L HN 0.233 nan 8.230 nan 0.000 0.425 14 R N -0.263 120.297 120.500 0.100 0.000 2.712 14 R HA 0.384 4.735 4.340 0.019 0.000 0.272 14 R C -0.685 175.639 176.300 0.041 0.000 1.032 14 R CA -1.035 55.090 56.100 0.042 0.000 0.874 14 R CB 1.078 31.421 30.300 0.070 0.000 1.256 14 R HN -0.064 nan 8.270 nan 0.000 0.468 15 L N 0.700 121.893 121.223 -0.051 0.000 2.470 15 L HA 0.229 4.580 4.340 0.019 0.000 0.219 15 L C 0.422 177.244 176.870 -0.079 0.000 1.071 15 L CA 1.080 55.849 54.840 -0.117 0.000 0.850 15 L CB 0.482 42.407 42.059 -0.223 0.000 1.040 15 L HN 0.832 nan 8.230 nan 0.000 0.475 16 S N -1.187 114.490 115.700 -0.039 0.000 2.617 16 S HA 0.205 4.686 4.470 0.019 0.000 0.269 16 S C 0.380 174.984 174.600 0.007 0.000 1.292 16 S CA -0.334 57.855 58.200 -0.018 0.000 1.010 16 S CB 0.851 64.050 63.200 -0.002 0.000 0.944 16 S HN 0.294 nan 8.310 nan 0.000 0.536 17 D N 0.633 121.039 120.400 0.010 0.000 2.779 17 D HA -0.236 4.416 4.640 0.019 0.000 0.223 17 D C -0.722 175.598 176.300 0.034 0.000 1.227 17 D CA 0.786 54.803 54.000 0.028 0.000 0.653 17 D CB -1.458 39.376 40.800 0.056 0.000 0.973 17 D HN 0.625 nan 8.370 nan 0.000 0.402 18 N N 2.059 120.758 118.700 -0.001 0.000 2.524 18 N HA 0.111 4.862 4.740 0.019 0.000 0.261 18 N C 1.290 176.785 175.510 -0.026 0.000 0.998 18 N CA -0.769 52.276 53.050 -0.008 0.000 0.915 18 N CB 0.598 39.041 38.487 -0.074 0.000 1.187 18 N HN -0.003 nan 8.380 nan 0.000 0.507 19 I N 2.308 122.901 120.570 0.038 0.000 2.091 19 I HA -0.192 3.990 4.170 0.019 0.000 0.239 19 I C 2.267 178.428 176.117 0.073 0.000 1.061 19 I CA 1.647 62.980 61.300 0.055 0.000 1.317 19 I CB -1.464 36.589 38.000 0.088 0.000 1.031 19 I HN 0.602 nan 8.210 nan 0.000 0.401 20 G N 0.475 109.365 108.800 0.150 0.000 2.422 20 G HA2 -0.221 3.751 3.960 0.019 0.000 0.218 20 G HA3 -0.221 3.751 3.960 0.019 0.000 0.218 20 G C 1.763 176.759 174.900 0.161 0.000 1.146 20 G CA 0.513 45.817 45.100 0.340 0.000 0.769 20 G HN 0.301 nan 8.290 nan 0.000 0.547 21 L N 1.223 122.206 121.223 -0.400 0.000 2.056 21 L HA 0.233 4.585 4.340 0.019 0.000 0.207 21 L C 3.077 179.785 176.870 -0.270 0.000 1.078 21 L CA 1.973 56.401 54.840 -0.685 0.000 0.749 21 L CB -0.703 40.858 42.059 -0.829 0.000 0.901 21 L HN 0.224 nan 8.230 nan 0.000 0.433 22 A N -0.625 122.099 122.820 -0.160 0.000 1.902 22 A HA -0.108 4.223 4.320 0.019 0.000 0.217 22 A C 2.438 179.981 177.584 -0.069 0.000 1.181 22 A CA 1.745 53.727 52.037 -0.092 0.000 0.623 22 A CB -1.108 17.862 19.000 -0.050 0.000 0.818 22 A HN 0.532 nan 8.150 nan 0.000 0.443 23 A N -0.139 122.668 122.820 -0.022 0.000 1.902 23 A HA 0.156 4.488 4.320 0.019 0.000 0.217 23 A C 2.499 179.996 177.584 -0.145 0.000 1.181 23 A CA 2.097 54.150 52.037 0.026 0.000 0.623 23 A CB -0.982 18.137 19.000 0.199 0.000 0.818 23 A HN 1.041 nan 8.150 nan 0.000 0.443 24 A N -0.295 122.294 122.820 -0.385 0.000 1.898 24 A HA -0.132 4.200 4.320 0.019 0.000 0.216 24 A C 2.166 179.554 177.584 -0.326 0.000 1.181 24 A CA 2.043 53.621 52.037 -0.764 0.000 0.620 24 A CB -0.433 18.194 19.000 -0.622 0.000 0.819 24 A HN 0.440 nan 8.150 nan 0.000 0.442 25 R N 0.394 120.783 120.500 -0.186 0.000 2.127 25 R HA -0.030 4.321 4.340 0.019 0.000 0.238 25 R C 1.944 178.198 176.300 -0.078 0.000 1.134 25 R CA 1.754 57.792 56.100 -0.103 0.000 0.975 25 R CB -0.852 29.399 30.300 -0.082 0.000 0.865 25 R HN 0.394 nan 8.270 nan 0.000 0.447 26 A N -0.195 122.579 122.820 -0.077 0.000 2.121 26 A HA -0.088 4.244 4.320 0.019 0.000 0.218 26 A C 1.639 179.204 177.584 -0.033 0.000 1.154 26 A CA 1.070 53.084 52.037 -0.040 0.000 0.679 26 A CB -0.191 18.797 19.000 -0.020 0.000 0.795 26 A HN 0.337 nan 8.150 nan 0.000 0.458 27 Q N -1.131 118.632 119.800 -0.062 0.000 2.373 27 Q HA 0.178 4.529 4.340 0.019 0.000 0.210 27 Q C 0.316 176.301 176.000 -0.025 0.000 0.913 27 Q CA 0.894 56.678 55.803 -0.032 0.000 0.911 27 Q CB 0.453 29.170 28.738 -0.035 0.000 1.040 27 Q HN 0.496 nan 8.270 nan 0.000 0.521 28 S N -1.934 113.741 115.700 -0.042 0.000 2.558 28 S HA 0.570 5.052 4.470 0.019 0.000 0.277 28 S C -0.706 173.887 174.600 -0.011 0.000 1.143 28 S CA 0.073 58.264 58.200 -0.016 0.000 0.865 28 S CB 1.248 64.447 63.200 -0.002 0.000 1.102 28 S HN 0.065 nan 8.310 nan 0.000 0.454 29 A N 2.258 125.080 122.820 0.004 0.000 2.132 29 A HA 0.246 4.578 4.320 0.019 0.000 0.213 29 A C 1.139 178.741 177.584 0.031 0.000 1.154 29 A CA 0.491 52.536 52.037 0.013 0.000 0.753 29 A CB -0.332 18.675 19.000 0.012 0.000 0.826 29 A HN 0.755 nan 8.150 nan 0.000 0.469 30 Q N 0.659 120.478 119.800 0.033 0.000 3.027 30 Q HA 0.344 4.695 4.340 0.019 0.000 0.260 30 Q C -1.174 174.863 176.000 0.062 0.000 1.379 30 Q CA -0.333 55.498 55.803 0.047 0.000 1.038 30 Q CB -0.315 28.446 28.738 0.038 0.000 1.578 30 Q HN 0.357 nan 8.270 nan 0.000 0.571 31 L N 4.060 125.335 121.223 0.086 0.000 2.265 31 L HA 0.421 4.772 4.340 0.019 0.000 0.289 31 L C -1.218 175.766 176.870 0.189 0.000 1.033 31 L CA -0.416 54.500 54.840 0.128 0.000 0.814 31 L CB 0.973 43.104 42.059 0.120 0.000 1.203 31 L HN 0.330 nan 8.230 nan 0.000 0.423 32 I N 4.894 125.554 120.570 0.150 0.000 2.378 32 I HA 0.448 4.630 4.170 0.019 0.000 0.291 32 I C 0.898 177.029 176.117 0.025 0.000 0.992 32 I CA -0.477 60.862 61.300 0.066 0.000 1.154 32 I CB 0.998 39.018 38.000 0.034 0.000 1.315 32 I HN 0.666 nan 8.210 nan 0.000 0.448 33 G N 5.652 114.232 108.800 -0.366 0.000 2.503 33 G HA2 0.508 4.480 3.960 0.019 0.000 0.257 33 G HA3 0.508 4.480 3.960 0.019 0.000 0.257 33 G C -1.073 173.793 174.900 -0.057 0.000 1.214 33 G CA -0.182 44.716 45.100 -0.335 0.000 0.839 33 G HN 0.511 nan 8.290 nan 0.000 0.559 34 L N 0.675 122.037 121.223 0.232 0.000 2.482 34 L HA 0.839 5.191 4.340 0.019 0.000 0.263 34 L C -1.919 175.203 176.870 0.420 0.000 0.957 34 L CA -1.039 53.925 54.840 0.206 0.000 0.836 34 L CB 2.047 44.156 42.059 0.083 0.000 1.324 34 L HN 0.499 nan 8.230 nan 0.000 0.406 35 F N 4.784 124.847 119.950 0.188 0.000 2.569 35 F HA 0.648 5.186 4.527 0.019 0.000 0.312 35 F C -1.221 174.671 175.800 0.154 0.000 1.109 35 F CA -0.654 57.502 58.000 0.259 0.000 0.919 35 F CB 1.657 40.774 39.000 0.194 0.000 1.211 35 F HN 0.754 nan 8.300 nan 0.000 0.446 36 C N 8.350 127.454 119.300 -0.326 0.000 2.293 36 C HA 0.584 5.056 4.460 0.019 0.000 0.323 36 C C -0.414 174.489 174.990 -0.144 0.000 1.240 36 C CA -0.890 58.036 59.018 -0.153 0.000 1.497 36 C CB -0.712 26.910 27.740 -0.196 0.000 2.171 36 C HN 0.782 nan 8.230 nan 0.000 0.465 37 L N 5.706 127.020 121.223 0.152 0.000 2.530 37 L HA 0.179 4.531 4.340 0.019 0.000 0.273 37 L C 0.342 177.283 176.870 0.119 0.000 1.141 37 L CA 0.616 55.600 54.840 0.241 0.000 0.905 37 L CB 0.016 42.224 42.059 0.248 0.000 1.202 37 L HN 0.657 nan 8.230 nan 0.000 0.473 38 D N 6.130 126.595 120.400 0.108 0.000 2.359 38 D HA 0.217 4.869 4.640 0.019 0.000 0.230 38 D C -1.667 174.683 176.300 0.084 0.000 1.118 38 D CA -2.155 51.898 54.000 0.089 0.000 0.844 38 D CB 1.909 42.773 40.800 0.105 0.000 1.059 38 D HN 0.154 nan 8.370 nan 0.000 0.493 39 P HA -0.132 nan 4.420 nan 0.000 0.218 39 P C 1.144 178.458 177.300 0.024 0.000 1.148 39 P CA 1.114 64.251 63.100 0.062 0.000 0.822 39 P CB 0.325 32.058 31.700 0.056 0.000 0.784 40 Q N -1.164 118.632 119.800 -0.007 0.000 2.226 40 Q HA -0.105 4.246 4.340 0.019 0.000 0.204 40 Q C 1.950 177.822 176.000 -0.214 0.000 0.975 40 Q CA 1.051 56.786 55.803 -0.114 0.000 0.866 40 Q CB -0.339 28.309 28.738 -0.150 0.000 0.915 40 Q HN 0.362 nan 8.270 nan 0.000 0.440 41 I N -0.541 119.942 120.570 -0.145 0.000 2.685 41 I HA -0.166 4.015 4.170 0.019 0.000 0.251 41 I C 1.960 178.079 176.117 0.004 0.000 1.102 41 I CA 0.426 61.658 61.300 -0.113 0.000 1.442 41 I CB -0.078 37.899 38.000 -0.039 0.000 1.194 41 I HN 0.104 nan 8.210 nan 0.000 0.448 42 L N 0.411 121.677 121.223 0.071 0.000 2.083 42 L HA -0.179 4.173 4.340 0.019 0.000 0.209 42 L C 1.761 178.759 176.870 0.213 0.000 1.083 42 L CA 1.062 55.994 54.840 0.154 0.000 0.752 42 L CB -0.400 41.780 42.059 0.201 0.000 0.899 42 L HN 0.304 nan 8.230 nan 0.000 0.433 43 Q N -0.128 119.746 119.800 0.123 0.000 2.228 43 Q HA 0.143 4.494 4.340 0.019 0.000 0.211 43 Q C 0.550 176.585 176.000 0.059 0.000 0.890 43 Q CA 0.025 55.886 55.803 0.097 0.000 0.953 43 Q CB 0.134 28.905 28.738 0.054 0.000 1.053 43 Q HN 0.274 nan 8.270 nan 0.000 0.471 44 S N -0.558 115.173 115.700 0.051 0.000 2.585 44 S HA 0.380 4.862 4.470 0.019 0.000 0.273 44 S C 1.191 175.816 174.600 0.042 0.000 1.339 44 S CA 0.228 58.438 58.200 0.017 0.000 1.028 44 S CB 1.220 64.410 63.200 -0.016 0.000 0.906 44 S HN 0.330 nan 8.310 nan 0.000 0.528 45 A N 2.506 125.340 122.820 0.024 0.000 2.119 45 A HA 0.096 4.428 4.320 0.019 0.000 0.217 45 A C 0.842 178.445 177.584 0.032 0.000 1.153 45 A CA 0.911 52.968 52.037 0.033 0.000 0.692 45 A CB -0.339 18.676 19.000 0.024 0.000 0.799 45 A HN 0.819 nan 8.150 nan 0.000 0.458 46 D N -0.618 119.794 120.400 0.019 0.000 2.722 46 D HA 0.282 4.934 4.640 0.019 0.000 0.239 46 D C -0.131 176.167 176.300 -0.004 0.000 1.249 46 D CA 0.083 54.088 54.000 0.009 0.000 0.830 46 D CB 0.154 40.958 40.800 0.006 0.000 1.025 46 D HN 0.335 nan 8.370 nan 0.000 0.486 47 M N 1.123 120.731 119.600 0.014 0.000 2.363 47 M HA 0.578 5.070 4.480 0.019 0.000 0.343 47 M C -1.075 175.190 176.300 -0.058 0.000 1.165 47 M CA -1.056 54.241 55.300 -0.004 0.000 1.046 47 M CB 1.600 34.247 32.600 0.078 0.000 1.648 47 M HN -0.025 nan 8.290 nan 0.000 0.452 48 A N 6.755 129.483 122.820 -0.153 0.000 2.317 48 A HA 0.752 5.084 4.320 0.019 0.000 0.327 48 A C -2.168 175.237 177.584 -0.297 0.000 1.178 48 A CA -1.391 50.505 52.037 -0.235 0.000 0.817 48 A CB 0.402 19.247 19.000 -0.257 0.000 1.189 48 A HN 0.768 nan 8.150 nan 0.000 0.489 49 P HA -0.182 nan 4.420 nan 0.000 0.217 49 P C 1.477 178.521 177.300 -0.427 0.000 1.150 49 P CA 1.986 64.991 63.100 -0.158 0.000 0.832 49 P CB 0.151 31.977 31.700 0.209 0.000 0.787 50 A N 0.320 122.608 122.820 -0.886 0.000 1.933 50 A HA -0.189 4.142 4.320 0.019 0.000 0.218 50 A C 2.520 179.872 177.584 -0.386 0.000 1.175 50 A CA 1.681 52.950 52.037 -1.280 0.000 0.628 50 A CB -1.241 16.868 19.000 -1.484 0.000 0.814 50 A HN 0.060 nan 8.150 nan 0.000 0.444 51 R N -0.637 119.705 120.500 -0.264 0.000 2.075 51 R HA -0.053 4.298 4.340 0.019 0.000 0.232 51 R C 1.870 178.131 176.300 -0.065 0.000 1.126 51 R CA 1.495 57.582 56.100 -0.022 0.000 0.963 51 R CB -0.275 30.042 30.300 0.029 0.000 0.858 51 R HN 0.322 nan 8.270 nan 0.000 0.435 52 V N 0.647 120.410 119.914 -0.252 0.000 2.515 52 V HA -0.153 3.978 4.120 0.019 0.000 0.250 52 V C 2.318 178.306 176.094 -0.177 0.000 1.058 52 V CA 1.741 63.854 62.300 -0.311 0.000 1.064 52 V CB -0.504 30.877 31.823 -0.736 0.000 0.675 52 V HN 0.478 nan 8.190 nan 0.000 0.461 53 A N -0.781 122.000 122.820 -0.065 0.000 1.898 53 A HA -0.237 4.095 4.320 0.019 0.000 0.216 53 A C 2.160 179.753 177.584 0.016 0.000 1.181 53 A CA 1.870 53.985 52.037 0.130 0.000 0.620 53 A CB -0.703 18.556 19.000 0.432 0.000 0.819 53 A HN 0.609 nan 8.150 nan 0.000 0.442 54 Y N 0.033 120.233 120.300 -0.168 0.000 2.163 54 Y HA -0.141 4.421 4.550 0.020 0.000 0.288 54 Y C 2.053 177.596 175.900 -0.595 0.000 1.136 54 Y CA 1.785 59.579 58.100 -0.511 0.000 1.147 54 Y CB -0.292 37.948 38.460 -0.367 0.000 0.987 54 Y HN 0.266 nan 8.280 nan 0.000 0.509 55 L N 0.645 121.508 121.223 -0.600 0.000 1.989 55 L HA -0.254 4.098 4.340 0.019 0.000 0.211 55 L C 2.442 178.986 176.870 -0.543 0.000 1.071 55 L CA 2.224 56.585 54.840 -0.798 0.000 0.749 55 L CB -1.232 40.471 42.059 -0.593 0.000 0.890 55 L HN 0.338 nan 8.230 nan 0.000 0.431 56 Q N -0.149 119.434 119.800 -0.361 0.000 2.096 56 Q HA -0.187 4.164 4.340 0.019 0.000 0.204 56 Q C 2.049 177.873 176.000 -0.293 0.000 0.982 56 Q CA 2.023 57.670 55.803 -0.259 0.000 0.850 56 Q CB -0.642 28.021 28.738 -0.125 0.000 0.901 56 Q HN 0.697 nan 8.270 nan 0.000 0.422 57 G N -0.209 108.372 108.800 -0.365 0.000 2.408 57 G HA2 -0.231 3.741 3.960 0.019 0.000 0.217 57 G HA3 -0.231 3.741 3.960 0.019 0.000 0.217 57 G C 1.696 176.339 174.900 -0.428 0.000 1.150 57 G CA 0.906 45.778 45.100 -0.379 0.000 0.776 57 G HN 0.447 nan 8.290 nan 0.000 0.542 58 C N 0.228 119.186 119.300 -0.571 0.000 2.440 58 C HA 0.123 4.595 4.460 0.019 0.000 0.278 58 C C 2.873 177.659 174.990 -0.340 0.000 1.295 58 C CA 0.338 59.073 59.018 -0.472 0.000 1.738 58 C CB -0.967 26.466 27.740 -0.513 0.000 1.987 58 C HN 0.422 nan 8.230 nan 0.000 0.492 59 L N 0.248 121.245 121.223 -0.375 0.000 2.093 59 L HA -0.194 4.158 4.340 0.019 0.000 0.208 59 L C 2.834 179.578 176.870 -0.209 0.000 1.085 59 L CA 1.381 56.023 54.840 -0.331 0.000 0.755 59 L CB -0.783 41.021 42.059 -0.425 0.000 0.904 59 L HN 0.468 nan 8.230 nan 0.000 0.435 60 Q N -0.141 119.542 119.800 -0.195 0.000 2.061 60 Q HA -0.288 4.064 4.340 0.019 0.000 0.204 60 Q C 2.109 178.045 176.000 -0.106 0.000 0.984 60 Q CA 1.863 57.589 55.803 -0.128 0.000 0.846 60 Q CB -0.146 28.521 28.738 -0.119 0.000 0.902 60 Q HN 0.521 nan 8.270 nan 0.000 0.421 61 E N 0.493 120.612 120.200 -0.135 0.000 2.106 61 E HA -0.186 4.176 4.350 0.019 0.000 0.192 61 E C 1.983 178.535 176.600 -0.080 0.000 0.984 61 E CA 0.421 56.758 56.400 -0.106 0.000 0.806 61 E CB 0.061 29.684 29.700 -0.129 0.000 0.750 61 E HN 0.146 nan 8.360 nan 0.000 0.458 62 L N 1.290 122.456 121.223 -0.095 0.000 2.083 62 L HA -0.198 4.154 4.340 0.019 0.000 0.209 62 L C 2.122 179.035 176.870 0.072 0.000 1.083 62 L CA 1.702 56.515 54.840 -0.045 0.000 0.752 62 L CB -0.320 41.679 42.059 -0.099 0.000 0.899 62 L HN 0.158 nan 8.230 nan 0.000 0.433 63 Q N -1.044 118.773 119.800 0.029 0.000 2.096 63 Q HA -0.276 4.075 4.340 0.019 0.000 0.204 63 Q C 2.201 178.250 176.000 0.081 0.000 0.982 63 Q CA 2.119 57.963 55.803 0.068 0.000 0.850 63 Q CB -0.234 28.510 28.738 0.010 0.000 0.901 63 Q HN 0.656 nan 8.270 nan 0.000 0.422 64 Q N -0.061 119.755 119.800 0.027 0.000 2.084 64 Q HA -0.123 4.229 4.340 0.019 0.000 0.202 64 Q C 2.175 178.186 176.000 0.018 0.000 0.978 64 Q CA 0.854 56.666 55.803 0.016 0.000 0.844 64 Q CB -0.026 28.704 28.738 -0.013 0.000 0.898 64 Q HN 0.192 nan 8.270 nan 0.000 0.426 65 R N -0.192 120.304 120.500 -0.006 0.000 2.091 65 R HA -0.150 4.202 4.340 0.019 0.000 0.238 65 R C 2.008 178.264 176.300 -0.073 0.000 1.136 65 R CA 1.415 57.477 56.100 -0.063 0.000 0.959 65 R CB -0.567 29.658 30.300 -0.124 0.000 0.856 65 R HN 0.386 nan 8.270 nan 0.000 0.437 66 Y N 1.589 121.887 120.300 -0.003 0.000 2.200 66 Y HA -0.177 4.385 4.550 0.019 0.000 0.290 66 Y C 2.716 178.626 175.900 0.017 0.000 1.137 66 Y CA 1.470 59.582 58.100 0.020 0.000 1.163 66 Y CB -0.220 38.264 38.460 0.041 0.000 0.988 66 Y HN 0.155 nan 8.280 nan 0.000 0.518 67 Q N -0.188 119.710 119.800 0.165 0.000 2.061 67 Q HA -0.283 4.068 4.340 0.019 0.000 0.204 67 Q C 2.127 178.161 176.000 0.056 0.000 0.984 67 Q CA 1.916 57.777 55.803 0.096 0.000 0.846 67 Q CB -0.358 28.419 28.738 0.064 0.000 0.902 67 Q HN 0.619 nan 8.270 nan 0.000 0.421 68 Q N 0.029 119.847 119.800 0.030 0.000 2.170 68 Q HA -0.107 4.244 4.340 0.019 0.000 0.203 68 Q C 1.972 177.973 176.000 0.001 0.000 0.976 68 Q CA 1.221 57.029 55.803 0.007 0.000 0.858 68 Q CB -0.156 28.576 28.738 -0.011 0.000 0.907 68 Q HN 0.354 nan 8.270 nan 0.000 0.433 69 A N -0.158 122.658 122.820 -0.006 0.000 2.119 69 A HA 0.174 4.505 4.320 0.019 0.000 0.217 69 A C 1.658 179.254 177.584 0.021 0.000 1.153 69 A CA 1.288 53.315 52.037 -0.017 0.000 0.692 69 A CB -0.088 18.866 19.000 -0.076 0.000 0.799 69 A HN 0.503 nan 8.150 nan 0.000 0.458 70 G N -1.933 106.897 108.800 0.051 0.000 2.421 70 G HA2 -0.129 3.843 3.960 0.019 0.000 0.188 70 G HA3 -0.129 3.843 3.960 0.019 0.000 0.188 70 G C 0.781 175.732 174.900 0.085 0.000 1.001 70 G CA 0.819 45.954 45.100 0.057 0.000 0.693 70 G HN 1.458 nan 8.290 nan 0.000 0.479 71 S N -0.044 115.741 115.700 0.141 0.000 4.359 71 S HA 0.883 5.364 4.470 0.019 0.000 0.202 71 S C 0.143 174.833 174.600 0.150 0.000 1.078 71 S CA 0.602 58.890 58.200 0.147 0.000 1.776 71 S CB 1.161 64.469 63.200 0.179 0.000 0.891 71 S HN 1.527 nan 8.310 nan 0.000 0.780 72 R N -0.786 119.792 120.500 0.130 0.000 2.741 72 R HA 0.662 5.013 4.340 0.019 0.000 0.276 72 R C -2.368 173.807 176.300 -0.209 0.000 1.028 72 R CA -0.947 55.180 56.100 0.045 0.000 0.865 72 R CB 0.640 30.952 30.300 0.020 0.000 1.268 72 R HN 0.542 nan 8.270 nan 0.000 0.475 73 L N 2.132 123.253 121.223 -0.171 0.000 2.276 73 L HA 0.451 4.802 4.340 0.019 0.000 0.286 73 L C -1.090 175.730 176.870 -0.083 0.000 1.024 73 L CA -0.577 54.105 54.840 -0.262 0.000 0.826 73 L CB 1.238 43.234 42.059 -0.106 0.000 1.211 73 L HN 0.582 nan 8.230 nan 0.000 0.422 74 L N 5.902 127.088 121.223 -0.063 0.000 2.380 74 L HA 0.352 4.704 4.340 0.019 0.000 0.273 74 L C -0.484 176.416 176.870 0.050 0.000 1.138 74 L CA -0.235 54.601 54.840 -0.006 0.000 0.832 74 L CB 0.737 42.788 42.059 -0.013 0.000 1.124 74 L HN 0.536 nan 8.230 nan 0.000 0.454 75 L N 4.402 125.658 121.223 0.055 0.000 2.341 75 L HA 0.545 4.896 4.340 0.019 0.000 0.278 75 L C -0.776 176.135 176.870 0.068 0.000 1.005 75 L CA -0.624 54.277 54.840 0.101 0.000 0.818 75 L CB 1.808 43.922 42.059 0.092 0.000 1.259 75 L HN 0.361 nan 8.230 nan 0.000 0.418 76 L N 2.692 123.961 121.223 0.076 0.000 2.309 76 L HA 0.590 4.941 4.340 0.019 0.000 0.261 76 L C -0.492 176.411 176.870 0.055 0.000 1.021 76 L CA -0.340 54.516 54.840 0.027 0.000 0.823 76 L CB 1.924 43.957 42.059 -0.042 0.000 1.366 76 L HN 0.518 nan 8.230 nan 0.000 0.423 77 Q N 0.135 119.957 119.800 0.036 0.000 2.269 77 Q HA 0.640 4.992 4.340 0.019 0.000 0.263 77 Q C -0.653 175.366 176.000 0.032 0.000 0.983 77 Q CA -0.038 55.797 55.803 0.053 0.000 0.777 77 Q CB 1.923 30.700 28.738 0.066 0.000 1.273 77 Q HN 0.895 nan 8.270 nan 0.000 0.440 78 G N 2.341 111.161 108.800 0.034 0.000 2.339 78 G HA2 -0.069 3.902 3.960 0.019 0.000 0.275 78 G HA3 -0.069 3.902 3.960 0.019 0.000 0.275 78 G C -1.743 173.177 174.900 0.032 0.000 1.323 78 G CA -0.772 44.348 45.100 0.033 0.000 0.927 78 G HN 0.538 nan 8.290 nan 0.000 0.486 79 D N 1.695 122.125 120.400 0.051 0.000 2.338 79 D HA 0.375 5.027 4.640 0.019 0.000 0.255 79 D C -0.451 175.830 176.300 -0.033 0.000 1.237 79 D CA -1.729 52.305 54.000 0.058 0.000 0.883 79 D CB 1.621 42.516 40.800 0.159 0.000 1.087 79 D HN 0.061 nan 8.370 nan 0.000 0.485 80 P HA -0.172 nan 4.420 nan 0.000 0.220 80 P C 1.115 178.215 177.300 -0.334 0.000 1.148 80 P CA 0.969 63.905 63.100 -0.274 0.000 0.803 80 P CB 0.408 31.949 31.700 -0.265 0.000 0.782 81 Q N -1.381 118.247 119.800 -0.286 0.000 2.234 81 Q HA -0.187 4.165 4.340 0.019 0.000 0.206 81 Q C 2.073 177.790 176.000 -0.472 0.000 0.980 81 Q CA 1.193 56.758 55.803 -0.397 0.000 0.869 81 Q CB -0.285 28.179 28.738 -0.457 0.000 0.912 81 Q HN 0.573 nan 8.270 nan 0.000 0.436 82 H N -0.868 118.130 119.070 -0.119 0.000 2.422 82 H HA 0.104 4.671 4.556 0.019 0.000 0.303 82 H C 2.134 177.385 175.328 -0.128 0.000 1.033 82 H CA 0.467 56.455 56.048 -0.101 0.000 1.335 82 H CB 0.088 29.811 29.762 -0.066 0.000 1.458 82 H HN 0.147 nan 8.280 nan 0.000 0.556 83 L N 0.701 121.899 121.223 -0.041 0.000 2.093 83 L HA -0.124 4.227 4.340 0.019 0.000 0.208 83 L C 2.360 179.113 176.870 -0.196 0.000 1.085 83 L CA 0.640 55.417 54.840 -0.105 0.000 0.755 83 L CB -0.242 41.752 42.059 -0.109 0.000 0.904 83 L HN 0.166 nan 8.230 nan 0.000 0.435 84 I N 0.190 120.560 120.570 -0.334 0.000 2.163 84 I HA -0.142 4.040 4.170 0.019 0.000 0.240 84 I C 0.042 176.008 176.117 -0.252 0.000 1.081 84 I CA 1.655 62.698 61.300 -0.428 0.000 1.353 84 I CB -2.434 35.095 38.000 -0.785 0.000 1.054 84 I HN 0.157 nan 8.210 nan 0.000 0.407 85 P HA -0.181 nan 4.420 nan 0.000 0.216 85 P C 1.857 179.115 177.300 -0.070 0.000 1.153 85 P CA 1.386 64.424 63.100 -0.103 0.000 0.848 85 P CB -0.073 31.579 31.700 -0.079 0.000 0.787 86 Q N -0.578 119.182 119.800 -0.066 0.000 2.061 86 Q HA -0.204 4.148 4.340 0.019 0.000 0.204 86 Q C 2.028 177.999 176.000 -0.049 0.000 0.984 86 Q CA 1.398 57.175 55.803 -0.044 0.000 0.846 86 Q CB -0.748 27.970 28.738 -0.034 0.000 0.902 86 Q HN 0.076 nan 8.270 nan 0.000 0.421 87 L N 0.526 121.705 121.223 -0.074 0.000 2.017 87 L HA -0.104 4.248 4.340 0.019 0.000 0.208 87 L C 2.216 179.057 176.870 -0.048 0.000 1.073 87 L CA 2.310 57.110 54.840 -0.066 0.000 0.745 87 L CB -0.890 41.111 42.059 -0.095 0.000 0.894 87 L HN 0.252 nan 8.230 nan 0.000 0.432 88 A N -1.068 121.719 122.820 -0.055 0.000 1.902 88 A HA -0.261 4.070 4.320 0.019 0.000 0.217 88 A C 2.190 179.768 177.584 -0.010 0.000 1.181 88 A CA 1.917 53.940 52.037 -0.023 0.000 0.623 88 A CB -0.610 18.380 19.000 -0.016 0.000 0.818 88 A HN 0.689 nan 8.150 nan 0.000 0.443 89 Q N -1.158 118.632 119.800 -0.016 0.000 2.050 89 Q HA -0.186 4.165 4.340 0.019 0.000 0.202 89 Q C 2.348 178.345 176.000 -0.006 0.000 0.980 89 Q CA 1.361 57.159 55.803 -0.008 0.000 0.840 89 Q CB -0.214 28.518 28.738 -0.010 0.000 0.898 89 Q HN 0.575 nan 8.270 nan 0.000 0.424 90 Q N 0.331 120.124 119.800 -0.011 0.000 2.170 90 Q HA -0.131 4.221 4.340 0.019 0.000 0.203 90 Q C 1.883 177.881 176.000 -0.004 0.000 0.976 90 Q CA 0.932 56.730 55.803 -0.008 0.000 0.858 90 Q CB -0.047 28.684 28.738 -0.013 0.000 0.907 90 Q HN 0.248 nan 8.270 nan 0.000 0.433 91 L N 0.790 122.011 121.223 -0.003 0.000 2.558 91 L HA 0.026 4.378 4.340 0.019 0.000 0.225 91 L C 0.253 177.129 176.870 0.010 0.000 1.128 91 L CA 0.935 55.777 54.840 0.004 0.000 0.868 91 L CB -0.038 42.023 42.059 0.004 0.000 1.006 91 L HN 0.215 nan 8.230 nan 0.000 0.454 92 Q N -0.507 119.299 119.800 0.009 0.000 2.468 92 Q HA -0.217 4.134 4.340 0.019 0.000 0.289 92 Q C 0.451 176.465 176.000 0.023 0.000 1.299 92 Q CA 0.378 56.189 55.803 0.014 0.000 0.838 92 Q CB -2.086 26.660 28.738 0.013 0.000 1.195 92 Q HN 0.603 nan 8.270 nan 0.000 0.456 93 A N 0.562 123.399 122.820 0.027 0.000 2.445 93 A HA 0.070 4.401 4.320 0.019 0.000 0.242 93 A C 1.151 178.765 177.584 0.051 0.000 1.075 93 A CA 0.302 52.365 52.037 0.044 0.000 0.777 93 A CB 0.512 19.543 19.000 0.053 0.000 1.013 93 A HN 0.406 nan 8.150 nan 0.000 0.493 94 E N 0.373 120.611 120.200 0.063 0.000 2.230 94 E HA 0.223 4.584 4.350 0.019 0.000 0.192 94 E C 0.413 177.067 176.600 0.089 0.000 0.987 94 E CA 1.206 57.646 56.400 0.066 0.000 0.841 94 E CB 0.180 29.920 29.700 0.066 0.000 0.783 94 E HN 0.855 nan 8.360 nan 0.000 0.481 95 A N -0.520 122.376 122.820 0.128 0.000 2.601 95 A HA 0.530 4.862 4.320 0.019 0.000 0.291 95 A C -1.581 176.141 177.584 0.229 0.000 1.075 95 A CA -0.570 51.570 52.037 0.172 0.000 0.671 95 A CB 1.677 20.842 19.000 0.275 0.000 1.277 95 A HN -0.077 nan 8.150 nan 0.000 0.417 96 V N 1.143 121.195 119.914 0.231 0.000 2.525 96 V HA 0.534 4.666 4.120 0.019 0.000 0.299 96 V C -1.500 174.772 176.094 0.297 0.000 1.034 96 V CA -0.419 62.066 62.300 0.308 0.000 0.863 96 V CB 1.226 33.240 31.823 0.318 0.000 0.999 96 V HN 0.756 nan 8.190 nan 0.000 0.423 97 Y N 3.787 124.159 120.300 0.121 0.000 2.457 97 Y HA 0.817 5.379 4.550 0.019 0.000 0.333 97 Y C -0.082 175.735 175.900 -0.139 0.000 1.119 97 Y CA -0.930 57.172 58.100 0.003 0.000 1.143 97 Y CB 1.960 40.550 38.460 0.217 0.000 1.230 97 Y HN 0.840 nan 8.280 nan 0.000 0.469 98 W N 0.821 121.986 121.300 -0.226 0.000 2.989 98 W HA 0.534 5.205 4.660 0.019 0.000 0.344 98 W C -2.168 174.226 176.519 -0.209 0.000 1.233 98 W CA -1.007 56.037 57.345 -0.502 0.000 1.187 98 W CB 0.695 29.852 29.460 -0.505 0.000 1.443 98 W HN 0.226 nan 8.180 nan 0.000 0.573 99 N N 2.294 121.080 118.700 0.143 0.000 2.421 99 N HA 0.212 4.964 4.740 0.019 0.000 0.285 99 N C -0.413 175.074 175.510 -0.037 0.000 1.027 99 N CA -0.649 52.427 53.050 0.043 0.000 0.918 99 N CB 1.576 40.153 38.487 0.149 0.000 1.152 99 N HN 0.522 nan 8.380 nan 0.000 0.485 100 Q N 0.553 120.143 119.800 -0.349 0.000 2.474 100 Q HA 0.052 4.403 4.340 0.019 0.000 0.256 100 Q C -0.518 175.268 176.000 -0.357 0.000 1.048 100 Q CA 0.452 55.935 55.803 -0.534 0.000 0.922 100 Q CB 0.675 28.583 28.738 -1.383 0.000 1.288 100 Q HN 0.515 nan 8.270 nan 0.000 0.484 101 D N -0.052 120.241 120.400 -0.179 0.000 2.497 101 D HA 0.248 4.900 4.640 0.019 0.000 0.243 101 D C 0.009 176.445 176.300 0.227 0.000 1.039 101 D CA -0.693 53.336 54.000 0.048 0.000 1.052 101 D CB 1.037 41.841 40.800 0.008 0.000 1.344 101 D HN 0.444 nan 8.370 nan 0.000 0.553 102 I N -1.719 119.023 120.570 0.287 0.000 4.082 102 I HA 0.347 4.529 4.170 0.019 0.000 0.337 102 I C -0.291 175.954 176.117 0.214 0.000 1.352 102 I CA 0.069 61.586 61.300 0.362 0.000 1.097 102 I CB -0.723 37.478 38.000 0.336 0.000 1.048 102 I HN 0.214 nan 8.210 nan 0.000 0.393 103 E N 2.765 123.054 120.200 0.148 0.000 2.331 103 E HA 0.211 4.573 4.350 0.019 0.000 0.272 103 E C -1.760 174.898 176.600 0.096 0.000 1.036 103 E CA -1.626 54.845 56.400 0.118 0.000 0.864 103 E CB 0.887 30.657 29.700 0.117 0.000 1.035 103 E HN 0.036 nan 8.360 nan 0.000 0.408 104 P HA -0.238 nan 4.420 nan 0.000 0.215 104 P C 1.044 178.389 177.300 0.075 0.000 1.157 104 P CA 1.275 64.419 63.100 0.074 0.000 0.874 104 P CB -0.005 31.748 31.700 0.090 0.000 0.790 105 Y N 0.480 120.789 120.300 0.016 0.000 2.114 105 Y HA -0.138 4.423 4.550 0.019 0.000 0.284 105 Y C 2.477 178.372 175.900 -0.008 0.000 1.143 105 Y CA 2.202 60.305 58.100 0.006 0.000 1.135 105 Y CB -1.198 37.267 38.460 0.008 0.000 0.980 105 Y HN -0.136 nan 8.280 nan 0.000 0.499 106 G N 0.149 108.916 108.800 -0.056 0.000 2.440 106 G HA2 -0.246 3.725 3.960 0.019 0.000 0.218 106 G HA3 -0.246 3.725 3.960 0.019 0.000 0.218 106 G C 1.766 176.550 174.900 -0.193 0.000 1.154 106 G CA 0.916 45.910 45.100 -0.177 0.000 0.767 106 G HN 0.387 nan 8.290 nan 0.000 0.552 107 R N -0.052 120.394 120.500 -0.090 0.000 2.090 107 R HA -0.017 4.334 4.340 0.019 0.000 0.228 107 R C 2.223 178.472 176.300 -0.085 0.000 1.110 107 R CA 1.206 57.274 56.100 -0.053 0.000 0.973 107 R CB -0.315 29.986 30.300 0.002 0.000 0.869 107 R HN 0.369 nan 8.270 nan 0.000 0.440 108 D N 0.885 121.208 120.400 -0.128 0.000 2.084 108 D HA -0.188 4.463 4.640 0.019 0.000 0.194 108 D C 1.982 178.173 176.300 -0.182 0.000 0.990 108 D CA 1.270 55.193 54.000 -0.128 0.000 0.826 108 D CB -0.013 40.714 40.800 -0.121 0.000 0.971 108 D HN 0.026 nan 8.370 nan 0.000 0.453 109 R N 0.196 120.491 120.500 -0.341 0.000 2.096 109 R HA -0.182 4.170 4.340 0.019 0.000 0.240 109 R C 1.427 177.625 176.300 -0.171 0.000 1.139 109 R CA 2.086 57.982 56.100 -0.339 0.000 0.952 109 R CB -0.401 29.567 30.300 -0.552 0.000 0.854 109 R HN 0.173 nan 8.270 nan 0.000 0.436 110 D N -0.523 119.794 120.400 -0.140 0.000 2.144 110 D HA -0.098 4.553 4.640 0.019 0.000 0.199 110 D C 1.759 178.141 176.300 0.136 0.000 0.984 110 D CA 1.528 55.535 54.000 0.011 0.000 0.834 110 D CB -0.597 40.268 40.800 0.108 0.000 0.955 110 D HN 0.549 nan 8.370 nan 0.000 0.465 111 G N 0.549 109.375 108.800 0.045 0.000 2.418 111 G HA2 -0.260 3.712 3.960 0.019 0.000 0.217 111 G HA3 -0.260 3.712 3.960 0.019 0.000 0.217 111 G C 1.564 176.480 174.900 0.028 0.000 1.158 111 G CA 0.479 45.605 45.100 0.044 0.000 0.771 111 G HN 0.169 nan 8.290 nan 0.000 0.545 112 Q N 0.166 119.952 119.800 -0.024 0.000 2.079 112 Q HA -0.013 4.338 4.340 0.019 0.000 0.200 112 Q C 2.985 178.958 176.000 -0.045 0.000 0.974 112 Q CA 0.898 56.670 55.803 -0.051 0.000 0.840 112 Q CB -0.726 27.948 28.738 -0.107 0.000 0.898 112 Q HN 0.412 nan 8.270 nan 0.000 0.430 113 V N 1.381 121.268 119.914 -0.045 0.000 2.295 113 V HA -0.238 3.893 4.120 0.019 0.000 0.246 113 V C 2.421 178.581 176.094 0.109 0.000 1.049 113 V CA 1.784 64.051 62.300 -0.054 0.000 1.024 113 V CB -1.119 30.594 31.823 -0.184 0.000 0.648 113 V HN 0.319 nan 8.190 nan 0.000 0.447 114 A N -0.006 122.976 122.820 0.269 0.000 1.902 114 A HA -0.135 4.196 4.320 0.019 0.000 0.217 114 A C 2.414 180.057 177.584 0.098 0.000 1.181 114 A CA 2.174 54.373 52.037 0.270 0.000 0.623 114 A CB -0.770 18.369 19.000 0.232 0.000 0.818 114 A HN 0.575 nan 8.150 nan 0.000 0.443 115 A N -0.219 122.635 122.820 0.058 0.000 1.898 115 A HA 0.190 4.521 4.320 0.019 0.000 0.216 115 A C 2.505 180.096 177.584 0.013 0.000 1.181 115 A CA 2.012 54.062 52.037 0.022 0.000 0.620 115 A CB -0.990 18.015 19.000 0.008 0.000 0.819 115 A HN 1.044 nan 8.150 nan 0.000 0.442 116 A N -0.245 122.577 122.820 0.004 0.000 1.902 116 A HA -0.028 4.303 4.320 0.019 0.000 0.217 116 A C 2.173 179.759 177.584 0.004 0.000 1.181 116 A CA 1.469 53.502 52.037 -0.007 0.000 0.623 116 A CB -0.591 18.388 19.000 -0.035 0.000 0.818 116 A HN 0.468 nan 8.150 nan 0.000 0.443 117 L N -0.742 120.495 121.223 0.022 0.000 2.046 117 L HA -0.192 4.160 4.340 0.019 0.000 0.208 117 L C 2.648 179.529 176.870 0.019 0.000 1.077 117 L CA 1.918 56.776 54.840 0.030 0.000 0.747 117 L CB -0.417 41.687 42.059 0.076 0.000 0.896 117 L HN 0.450 nan 8.230 nan 0.000 0.432 118 K N -0.305 120.105 120.400 0.016 0.000 2.057 118 K HA -0.169 4.163 4.320 0.019 0.000 0.207 118 K C 1.981 178.582 176.600 0.002 0.000 1.049 118 K CA 1.800 58.088 56.287 0.002 0.000 0.931 118 K CB -0.019 32.478 32.500 -0.004 0.000 0.714 118 K HN 0.198 nan 8.250 nan 0.000 0.440 119 T N 0.390 114.947 114.554 0.004 0.000 2.833 119 T HA -0.076 4.285 4.350 0.019 0.000 0.269 119 T C 1.601 176.302 174.700 0.003 0.000 1.054 119 T CA 1.216 63.317 62.100 0.002 0.000 1.135 119 T CB -0.120 68.749 68.868 0.003 0.000 0.869 119 T HN 0.373 nan 8.240 nan 0.000 0.466 120 A N 0.312 123.134 122.820 0.004 0.000 2.238 120 A HA 0.496 4.828 4.320 0.019 0.000 0.208 120 A C 1.851 179.438 177.584 0.006 0.000 1.177 120 A CA 0.792 52.832 52.037 0.004 0.000 0.804 120 A CB -0.710 18.291 19.000 0.003 0.000 0.823 120 A HN 0.711 nan 8.150 nan 0.000 0.482 121 G N -0.914 107.889 108.800 0.005 0.000 2.147 121 G HA2 -0.210 3.762 3.960 0.019 0.000 0.244 121 G HA3 -0.210 3.762 3.960 0.019 0.000 0.244 121 G C -0.048 174.858 174.900 0.010 0.000 1.005 121 G CA 0.344 45.448 45.100 0.006 0.000 0.713 121 G HN 0.491 nan 8.290 nan 0.000 0.515 122 I N -0.015 120.562 120.570 0.012 0.000 2.378 122 I HA 0.396 4.577 4.170 0.019 0.000 0.291 122 I C 0.844 176.968 176.117 0.012 0.000 0.992 122 I CA -1.087 60.225 61.300 0.021 0.000 1.154 122 I CB 1.603 39.621 38.000 0.030 0.000 1.315 122 I HN 0.085 nan 8.210 nan 0.000 0.448 123 R N 4.330 124.834 120.500 0.007 0.000 2.489 123 R HA 0.483 4.835 4.340 0.019 0.000 0.287 123 R C -0.515 175.738 176.300 -0.079 0.000 1.053 123 R CA -0.044 56.033 56.100 -0.039 0.000 1.036 123 R CB 0.677 30.960 30.300 -0.028 0.000 0.966 123 R HN 0.775 nan 8.270 nan 0.000 0.432 124 A N 4.501 127.220 122.820 -0.169 0.000 2.311 124 A HA 0.452 4.783 4.320 0.019 0.000 0.306 124 A C -1.134 176.103 177.584 -0.578 0.000 1.189 124 A CA -0.674 51.177 52.037 -0.310 0.000 0.791 124 A CB 1.338 20.236 19.000 -0.168 0.000 1.172 124 A HN 0.487 nan 8.150 nan 0.000 0.481 125 V N 3.495 122.903 119.914 -0.843 0.000 2.384 125 V HA 0.379 4.511 4.120 0.019 0.000 0.287 125 V C -0.326 175.163 176.094 -1.009 0.000 1.020 125 V CA -0.367 61.387 62.300 -0.910 0.000 0.850 125 V CB 1.209 32.263 31.823 -1.282 0.000 0.987 125 V HN 0.926 nan 8.190 nan 0.000 0.436 126 Q N 5.541 124.818 119.800 -0.871 0.000 2.357 126 Q HA 0.677 5.029 4.340 0.019 0.000 0.266 126 Q C -1.169 174.506 176.000 -0.541 0.000 1.021 126 Q CA -0.358 54.907 55.803 -0.897 0.000 0.784 126 Q CB 2.379 30.588 28.738 -0.882 0.000 1.243 126 Q HN 0.626 nan 8.270 nan 0.000 0.465 127 L N 0.826 121.813 121.223 -0.392 0.000 2.313 127 L HA 0.554 4.905 4.340 0.019 0.000 0.268 127 L C -0.662 176.049 176.870 -0.264 0.000 1.010 127 L CA -1.039 53.659 54.840 -0.236 0.000 0.814 127 L CB 1.359 43.391 42.059 -0.045 0.000 1.304 127 L HN 0.553 nan 8.230 nan 0.000 0.441 128 W N 0.765 122.047 121.300 -0.030 0.000 2.322 128 W HA 0.215 4.887 4.660 0.021 0.000 0.307 128 W C 0.488 177.013 176.519 0.010 0.000 1.220 128 W CA 0.119 57.451 57.345 -0.022 0.000 1.210 128 W CB 1.290 30.715 29.460 -0.058 0.000 1.223 128 W HN 0.601 nan 8.180 nan 0.000 0.511 129 D N 0.131 120.717 120.400 0.310 0.000 2.331 129 D HA -0.149 4.503 4.640 0.019 0.000 0.300 129 D C 1.752 178.179 176.300 0.212 0.000 1.090 129 D CA 0.218 54.346 54.000 0.213 0.000 0.905 129 D CB 0.245 41.152 40.800 0.178 0.000 1.600 129 D HN 0.505 nan 8.370 nan 0.000 0.511 130 Q N 0.543 120.497 119.800 0.257 0.000 2.482 130 Q HA 0.121 4.473 4.340 0.019 0.000 0.209 130 Q C -0.122 176.004 176.000 0.210 0.000 0.961 130 Q CA 0.456 56.392 55.803 0.222 0.000 0.945 130 Q CB 0.298 29.167 28.738 0.219 0.000 1.012 130 Q HN 0.302 nan 8.270 nan 0.000 0.515 131 L N 0.464 121.810 121.223 0.205 0.000 2.370 131 L HA 0.312 4.663 4.340 0.019 0.000 0.266 131 L C 0.650 177.554 176.870 0.056 0.000 1.002 131 L CA -0.764 54.177 54.840 0.169 0.000 0.818 131 L CB 1.881 44.039 42.059 0.165 0.000 1.325 131 L HN 0.013 nan 8.230 nan 0.000 0.418 132 L N 1.129 122.352 121.223 0.000 0.000 2.141 132 L HA 0.006 4.358 4.340 0.019 0.000 0.209 132 L C 0.151 176.574 176.870 -0.745 0.000 1.094 132 L CA 0.941 55.545 54.840 -0.393 0.000 0.763 132 L CB -0.197 41.512 42.059 -0.583 0.000 0.908 132 L HN 0.519 nan 8.230 nan 0.000 0.437 133 H N -1.217 117.821 119.070 -0.052 0.000 2.782 133 H HA 0.270 4.837 4.556 0.020 0.000 0.347 133 H C -0.298 174.989 175.328 -0.068 0.000 1.038 133 H CA -0.857 55.123 56.048 -0.114 0.000 1.255 133 H CB 1.662 31.298 29.762 -0.210 0.000 1.623 133 H HN -0.024 nan 8.280 nan 0.000 0.525 134 S N 2.692 118.246 115.700 -0.244 0.000 2.584 134 S HA 0.101 4.582 4.470 0.019 0.000 0.270 134 S C -1.711 172.380 174.600 -0.847 0.000 1.346 134 S CA -0.938 56.759 58.200 -0.839 0.000 1.018 134 S CB 1.572 64.087 63.200 -1.141 0.000 0.899 134 S HN 0.297 nan 8.310 nan 0.000 0.542 135 P HA -0.119 nan 4.420 nan 0.000 0.216 135 P C 0.568 177.621 177.300 -0.412 0.000 1.153 135 P CA 1.333 63.653 63.100 -1.301 0.000 0.858 135 P CB -0.049 30.620 31.700 -1.719 0.000 0.789 136 D N -1.484 118.700 120.400 -0.359 0.000 2.363 136 D HA -0.090 4.561 4.640 0.019 0.000 0.226 136 D C 1.758 178.013 176.300 -0.075 0.000 1.020 136 D CA 0.565 54.518 54.000 -0.078 0.000 0.892 136 D CB -0.161 40.619 40.800 -0.033 0.000 0.900 136 D HN 0.362 nan 8.370 nan 0.000 0.531 137 Q N 0.049 119.777 119.800 -0.120 0.000 2.402 137 Q HA 0.023 4.374 4.340 0.019 0.000 0.206 137 Q C -0.042 175.928 176.000 -0.050 0.000 0.919 137 Q CA 0.397 56.150 55.803 -0.084 0.000 0.923 137 Q CB 0.592 29.275 28.738 -0.092 0.000 1.048 137 Q HN 0.015 nan 8.270 nan 0.000 0.515 138 I N 2.659 123.261 120.570 0.054 0.000 2.428 138 I HA 0.370 4.551 4.170 0.019 0.000 0.279 138 I C -0.855 175.398 176.117 0.227 0.000 1.040 138 I CA -0.241 61.135 61.300 0.127 0.000 1.171 138 I CB 0.911 39.035 38.000 0.206 0.000 1.312 138 I HN 0.135 nan 8.210 nan 0.000 0.470 139 L N 3.925 125.213 121.223 0.108 0.000 2.393 139 L HA 0.519 4.871 4.340 0.019 0.000 0.260 139 L C 0.686 177.422 176.870 -0.224 0.000 1.002 139 L CA -0.712 54.076 54.840 -0.087 0.000 0.818 139 L CB 2.450 44.448 42.059 -0.101 0.000 1.369 139 L HN 0.561 nan 8.230 nan 0.000 0.412 140 S N -0.031 115.290 115.700 -0.632 0.000 2.617 140 S HA 0.156 4.637 4.470 0.019 0.000 0.259 140 S C 1.274 175.776 174.600 -0.163 0.000 1.301 140 S CA 0.031 57.932 58.200 -0.497 0.000 0.984 140 S CB 0.998 63.852 63.200 -0.578 0.000 0.954 140 S HN 0.834 nan 8.310 nan 0.000 0.572 141 G N 0.549 109.308 108.800 -0.069 0.000 2.475 141 G HA2 -0.200 3.771 3.960 0.019 0.000 0.220 141 G HA3 -0.200 3.771 3.960 0.019 0.000 0.220 141 G C 1.428 176.298 174.900 -0.051 0.000 1.125 141 G CA 0.958 46.035 45.100 -0.038 0.000 0.755 141 G HN 1.105 nan 8.290 nan 0.000 0.565 142 S N -0.547 115.113 115.700 -0.068 0.000 2.603 142 S HA 0.367 4.848 4.470 0.019 0.000 0.220 142 S C 1.720 176.280 174.600 -0.067 0.000 0.967 142 S CA 0.860 59.027 58.200 -0.055 0.000 0.920 142 S CB -0.087 63.086 63.200 -0.045 0.000 0.773 142 S HN 1.546 nan 8.310 nan 0.000 0.529 143 G N 1.352 110.095 108.800 -0.094 0.000 2.160 143 G HA2 -0.214 3.758 3.960 0.019 0.000 0.244 143 G HA3 -0.214 3.758 3.960 0.019 0.000 0.244 143 G C -0.283 174.548 174.900 -0.116 0.000 1.022 143 G CA -0.023 45.023 45.100 -0.091 0.000 0.741 143 G HN 0.556 nan 8.290 nan 0.000 0.508 144 N N 0.382 118.982 118.700 -0.166 0.000 2.402 144 N HA 0.590 5.341 4.740 0.019 0.000 0.294 144 N C -2.693 172.647 175.510 -0.283 0.000 1.203 144 N CA -1.409 51.535 53.050 -0.176 0.000 0.838 144 N CB 2.460 40.891 38.487 -0.093 0.000 1.306 144 N HN 0.081 nan 8.380 nan 0.000 0.510 145 P HA 0.122 nan 4.420 nan 0.000 0.272 145 P C -0.857 176.417 177.300 -0.044 0.000 1.230 145 P CA 0.173 63.107 63.100 -0.277 0.000 0.788 145 P CB 0.453 31.800 31.700 -0.588 0.000 0.949 146 Y N 0.014 120.456 120.300 0.238 0.000 2.301 146 Y HA 0.163 4.724 4.550 0.017 0.000 0.325 146 Y C 1.850 177.942 175.900 0.320 0.000 1.203 146 Y CA 0.547 58.832 58.100 0.308 0.000 1.255 146 Y CB 1.006 39.749 38.460 0.472 0.000 1.232 146 Y HN 0.372 nan 8.280 nan 0.000 0.501 147 S N -0.638 115.334 115.700 0.453 0.000 2.603 147 S HA 0.315 4.797 4.470 0.019 0.000 0.232 147 S C -0.411 174.452 174.600 0.438 0.000 1.016 147 S CA -0.241 58.169 58.200 0.351 0.000 0.976 147 S CB -0.108 63.201 63.200 0.181 0.000 0.921 147 S HN 0.231 nan 8.310 nan 0.000 0.516 148 V N 2.601 122.764 119.914 0.415 0.000 2.487 148 V HA 0.399 4.531 4.120 0.019 0.000 0.298 148 V C 0.531 176.598 176.094 -0.044 0.000 1.028 148 V CA -0.902 61.519 62.300 0.201 0.000 0.860 148 V CB 1.202 33.125 31.823 0.166 0.000 0.991 148 V HN 0.352 nan 8.190 nan 0.000 0.427 149 Y N 4.751 124.665 120.300 -0.644 0.000 2.097 149 Y HA -0.128 4.433 4.550 0.018 0.000 0.282 149 Y C 2.118 177.728 175.900 -0.484 0.000 1.152 149 Y CA 2.449 59.871 58.100 -1.130 0.000 1.136 149 Y CB -0.576 36.937 38.460 -1.578 0.000 0.975 149 Y HN 0.722 nan 8.280 nan 0.000 0.498 150 G N 0.415 109.038 108.800 -0.296 0.000 2.649 150 G HA2 -0.318 3.653 3.960 0.019 0.000 0.220 150 G HA3 -0.318 3.653 3.960 0.019 0.000 0.220 150 G C -0.492 174.273 174.900 -0.227 0.000 1.189 150 G CA 1.407 46.386 45.100 -0.202 0.000 0.777 150 G HN 0.396 nan 8.290 nan 0.000 0.602 151 P HA -0.061 nan 4.420 nan 0.000 0.217 151 P C 1.643 178.547 177.300 -0.660 0.000 1.150 151 P CA 0.748 63.705 63.100 -0.238 0.000 0.832 151 P CB -0.148 31.560 31.700 0.014 0.000 0.787 152 F N -0.498 118.870 119.950 -0.970 0.000 2.095 152 F HA -0.185 4.352 4.527 0.018 0.000 0.298 152 F C 2.235 177.640 175.800 -0.658 0.000 1.104 152 F CA 1.397 58.757 58.000 -1.066 0.000 1.232 152 F CB -0.838 37.854 39.000 -0.513 0.000 0.987 152 F HN -0.012 nan 8.300 nan 0.000 0.475 153 W N 1.976 122.839 121.300 -0.729 0.000 2.358 153 W HA -0.209 4.461 4.660 0.017 0.000 0.303 153 W C 2.025 178.316 176.519 -0.380 0.000 1.208 153 W CA 1.737 58.690 57.345 -0.654 0.000 1.274 153 W CB -0.490 28.395 29.460 -0.959 0.000 1.138 153 W HN 0.063 nan 8.180 nan 0.000 0.515 154 K N 0.181 120.286 120.400 -0.491 0.000 2.063 154 K HA -0.255 4.077 4.320 0.019 0.000 0.208 154 K C 1.999 178.312 176.600 -0.478 0.000 1.048 154 K CA 1.730 57.736 56.287 -0.468 0.000 0.928 154 K CB -0.504 31.853 32.500 -0.237 0.000 0.713 154 K HN 0.073 nan 8.250 nan 0.000 0.442 155 N N 0.452 118.872 118.700 -0.467 0.000 2.062 155 N HA -0.198 4.554 4.740 0.019 0.000 0.191 155 N C 1.644 176.855 175.510 -0.497 0.000 1.042 155 N CA 1.426 54.230 53.050 -0.409 0.000 0.845 155 N CB -0.498 37.773 38.487 -0.360 0.000 1.024 155 N HN 0.266 nan 8.380 nan 0.000 0.424 156 W N 1.934 122.730 121.300 -0.839 0.000 2.302 156 W HA -0.300 4.371 4.660 0.019 0.000 0.320 156 W C 2.606 178.683 176.519 -0.737 0.000 1.241 156 W CA 3.166 60.006 57.345 -0.841 0.000 1.264 156 W CB -0.431 28.494 29.460 -0.892 0.000 1.154 156 W HN 0.401 nan 8.180 nan 0.000 0.483 157 Q N -0.093 119.377 119.800 -0.549 0.000 2.170 157 Q HA -0.069 4.283 4.340 0.019 0.000 0.203 157 Q C 1.874 177.566 176.000 -0.514 0.000 0.976 157 Q CA 2.211 57.614 55.803 -0.667 0.000 0.858 157 Q CB -1.340 26.619 28.738 -1.300 0.000 0.907 157 Q HN 0.202 nan 8.270 nan 0.000 0.433 158 A N 0.226 122.755 122.820 -0.485 0.000 2.067 158 A HA -0.021 4.310 4.320 0.019 0.000 0.217 158 A C 0.836 178.205 177.584 -0.358 0.000 1.156 158 A CA 0.184 52.010 52.037 -0.352 0.000 0.683 158 A CB -0.158 18.664 19.000 -0.296 0.000 0.808 158 A HN 0.320 nan 8.150 nan 0.000 0.455 159 Q N 0.966 120.459 119.800 -0.512 0.000 2.364 159 Q HA 0.184 4.536 4.340 0.019 0.000 0.267 159 Q C -2.388 173.390 176.000 -0.370 0.000 0.999 159 Q CA -1.697 53.788 55.803 -0.529 0.000 0.886 159 Q CB 0.118 28.240 28.738 -1.026 0.000 1.243 159 Q HN 0.330 nan 8.270 nan 0.000 0.415 160 P HA 0.039 nan 4.420 nan 0.000 0.271 160 P C -0.506 176.698 177.300 -0.161 0.000 1.220 160 P CA -0.010 62.994 63.100 -0.159 0.000 0.768 160 P CB 0.675 32.307 31.700 -0.113 0.000 0.848 161 K N 4.676 124.944 120.400 -0.219 0.000 2.258 161 K HA 0.302 4.634 4.320 0.019 0.000 0.284 161 K C -1.676 174.788 176.600 -0.226 0.000 1.051 161 K CA -1.583 54.483 56.287 -0.367 0.000 0.923 161 K CB 0.191 32.396 32.500 -0.493 0.000 1.046 161 K HN 0.463 nan 8.250 nan 0.000 0.474 162 P HA 0.055 nan 4.420 nan 0.000 0.271 162 P C -0.325 176.934 177.300 -0.068 0.000 1.218 162 P CA -0.230 62.783 63.100 -0.146 0.000 0.780 162 P CB 0.493 32.091 31.700 -0.169 0.000 0.901 163 T N -0.625 113.918 114.554 -0.017 0.000 2.934 163 T HA 0.467 4.829 4.350 0.019 0.000 0.283 163 T C -2.538 172.180 174.700 0.030 0.000 1.005 163 T CA -2.331 59.786 62.100 0.028 0.000 1.041 163 T CB 0.163 69.049 68.868 0.030 0.000 1.042 163 T HN 0.180 nan 8.240 nan 0.000 0.505 164 P HA 0.221 nan 4.420 nan 0.000 0.266 164 P C -0.064 177.253 177.300 0.028 0.000 1.195 164 P CA -0.512 62.617 63.100 0.048 0.000 0.768 164 P CB 0.277 32.014 31.700 0.060 0.000 0.838 165 V N 0.056 119.983 119.914 0.021 0.000 2.973 165 V HA 0.787 4.919 4.120 0.019 0.000 0.314 165 V C 0.183 176.277 176.094 -0.001 0.000 1.066 165 V CA -1.319 60.986 62.300 0.007 0.000 1.021 165 V CB 0.851 32.676 31.823 0.003 0.000 1.076 165 V HN 0.606 nan 8.190 nan 0.000 0.462 166 A N 1.527 124.340 122.820 -0.011 0.000 2.407 166 A HA 0.525 4.856 4.320 0.019 0.000 0.248 166 A C 0.604 178.167 177.584 -0.036 0.000 1.082 166 A CA -0.009 52.017 52.037 -0.019 0.000 0.785 166 A CB -0.373 18.616 19.000 -0.019 0.000 1.020 166 A HN 1.027 nan 8.150 nan 0.000 0.489 167 T N 4.840 119.371 114.554 -0.038 0.000 2.832 167 T HA 0.430 4.791 4.350 0.019 0.000 0.296 167 T C -2.143 172.517 174.700 -0.067 0.000 0.968 167 T CA -0.425 61.640 62.100 -0.059 0.000 1.107 167 T CB 0.494 69.330 68.868 -0.054 0.000 0.916 167 T HN 0.608 nan 8.240 nan 0.000 0.517 168 P HA 0.214 nan 4.420 nan 0.000 0.271 168 P C -0.368 176.889 177.300 -0.071 0.000 1.216 168 P CA -0.274 62.777 63.100 -0.081 0.000 0.771 168 P CB 0.595 32.235 31.700 -0.099 0.000 0.864 169 T N -2.267 112.260 114.554 -0.045 0.000 2.864 169 T HA 0.342 4.704 4.350 0.019 0.000 0.289 169 T C -0.328 174.362 174.700 -0.017 0.000 1.082 169 T CA -0.945 61.134 62.100 -0.034 0.000 1.009 169 T CB 0.937 69.789 68.868 -0.027 0.000 1.234 169 T HN 0.448 nan 8.240 nan 0.000 0.526 170 E N 0.671 120.865 120.200 -0.009 0.000 2.210 170 E HA -0.151 4.211 4.350 0.019 0.000 0.201 170 E C -0.392 176.215 176.600 0.011 0.000 1.339 170 E CA 0.054 56.455 56.400 0.002 0.000 0.699 170 E CB -1.635 28.065 29.700 -0.000 0.000 1.126 170 E HN 0.492 nan 8.360 nan 0.000 0.355 171 L N 0.080 121.317 121.223 0.022 0.000 2.439 171 L HA 0.407 4.758 4.340 0.019 0.000 0.261 171 L C 0.717 177.615 176.870 0.046 0.000 1.153 171 L CA -0.751 54.115 54.840 0.043 0.000 0.808 171 L CB 0.809 42.916 42.059 0.079 0.000 1.126 171 L HN -0.071 nan 8.230 nan 0.000 0.460 172 V N 0.728 120.671 119.914 0.049 0.000 2.417 172 V HA 0.199 4.331 4.120 0.019 0.000 0.291 172 V C -0.087 176.038 176.094 0.052 0.000 1.024 172 V CA -0.610 61.715 62.300 0.042 0.000 0.861 172 V CB 1.610 33.453 31.823 0.033 0.000 0.985 172 V HN 0.664 nan 8.190 nan 0.000 0.436 173 D N 2.809 123.238 120.400 0.048 0.000 2.398 173 D HA 0.346 4.998 4.640 0.019 0.000 0.247 173 D C 0.025 176.347 176.300 0.037 0.000 1.227 173 D CA -0.130 53.899 54.000 0.049 0.000 0.980 173 D CB 0.891 41.718 40.800 0.044 0.000 1.106 173 D HN 0.348 nan 8.370 nan 0.000 0.493 174 L N 0.701 121.943 121.223 0.033 0.000 2.436 174 L HA 0.189 4.541 4.340 0.019 0.000 0.265 174 L C 0.891 177.773 176.870 0.021 0.000 1.168 174 L CA -0.530 54.325 54.840 0.025 0.000 0.815 174 L CB 0.943 43.014 42.059 0.020 0.000 1.109 174 L HN 0.431 nan 8.230 nan 0.000 0.462 175 S N 0.975 116.685 115.700 0.018 0.000 2.617 175 S HA 0.260 4.741 4.470 0.019 0.000 0.269 175 S C -1.986 172.622 174.600 0.013 0.000 1.292 175 S CA -1.189 57.020 58.200 0.015 0.000 1.010 175 S CB 1.194 64.402 63.200 0.014 0.000 0.944 175 S HN 0.389 nan 8.310 nan 0.000 0.536 176 P HA -0.139 nan 4.420 nan 0.000 0.219 176 P C 1.313 178.618 177.300 0.009 0.000 1.146 176 P CA 1.145 64.251 63.100 0.010 0.000 0.808 176 P CB 0.027 31.732 31.700 0.009 0.000 0.779 177 E N -0.005 120.200 120.200 0.009 0.000 2.072 177 E HA -0.175 4.186 4.350 0.019 0.000 0.190 177 E C 1.949 178.553 176.600 0.007 0.000 0.982 177 E CA 1.138 57.542 56.400 0.007 0.000 0.803 177 E CB -1.068 28.636 29.700 0.007 0.000 0.755 177 E HN 0.412 nan 8.360 nan 0.000 0.453 178 Q N 0.672 120.477 119.800 0.009 0.000 2.084 178 Q HA -0.015 4.337 4.340 0.019 0.000 0.202 178 Q C 2.555 178.559 176.000 0.006 0.000 0.978 178 Q CA 1.006 56.813 55.803 0.008 0.000 0.844 178 Q CB -0.191 28.553 28.738 0.011 0.000 0.898 178 Q HN 0.243 nan 8.270 nan 0.000 0.426 179 L N -0.002 121.225 121.223 0.007 0.000 2.083 179 L HA -0.186 4.165 4.340 0.019 0.000 0.209 179 L C 2.351 179.223 176.870 0.004 0.000 1.083 179 L CA 1.203 56.046 54.840 0.006 0.000 0.752 179 L CB -0.616 41.448 42.059 0.008 0.000 0.899 179 L HN 0.265 nan 8.230 nan 0.000 0.433 180 T N -0.154 114.403 114.554 0.004 0.000 2.821 180 T HA -0.126 4.236 4.350 0.019 0.000 0.267 180 T C 2.003 176.704 174.700 0.001 0.000 1.046 180 T CA 1.208 63.309 62.100 0.003 0.000 1.139 180 T CB -0.194 68.676 68.868 0.004 0.000 0.871 180 T HN 0.440 nan 8.240 nan 0.000 0.454 181 A N 1.611 124.432 122.820 0.001 0.000 1.972 181 A HA 0.024 4.356 4.320 0.019 0.000 0.219 181 A C 2.177 179.759 177.584 -0.003 0.000 1.169 181 A CA 1.313 53.350 52.037 -0.000 0.000 0.635 181 A CB -0.701 18.300 19.000 0.001 0.000 0.810 181 A HN 0.752 nan 8.150 nan 0.000 0.446 182 I N -4.869 115.699 120.570 -0.003 0.000 4.057 182 I HA 0.433 4.614 4.170 0.019 0.000 0.334 182 I C 1.977 178.090 176.117 -0.007 0.000 1.308 182 I CA 0.606 61.901 61.300 -0.007 0.000 1.125 182 I CB -0.167 37.827 38.000 -0.010 0.000 1.034 182 I HN 0.094 nan 8.210 nan 0.000 0.401 183 A N 3.534 126.352 122.820 -0.003 0.000 1.896 183 A HA -0.161 4.171 4.320 0.019 0.000 0.220 183 A C 0.462 178.045 177.584 -0.002 0.000 1.206 183 A CA 2.480 54.516 52.037 -0.001 0.000 0.647 183 A CB -2.293 16.708 19.000 0.001 0.000 0.828 183 A HN 0.506 nan 8.150 nan 0.000 0.455 184 P HA -0.089 nan 4.420 nan 0.000 0.225 184 P C 1.094 178.390 177.300 -0.007 0.000 1.148 184 P CA 0.901 63.998 63.100 -0.005 0.000 0.779 184 P CB -0.155 31.542 31.700 -0.006 0.000 0.780 185 L N -1.901 119.315 121.223 -0.010 0.000 2.529 185 L HA 0.160 4.511 4.340 0.019 0.000 0.223 185 L C 1.364 178.227 176.870 -0.012 0.000 1.113 185 L CA 0.017 54.848 54.840 -0.016 0.000 0.861 185 L CB -0.249 41.794 42.059 -0.025 0.000 1.012 185 L HN -0.096 nan 8.230 nan 0.000 0.461 186 L N 0.308 121.528 121.223 -0.005 0.000 2.375 186 L HA 0.332 4.684 4.340 0.019 0.000 0.268 186 L C -0.395 176.481 176.870 0.011 0.000 1.058 186 L CA -0.912 53.929 54.840 0.002 0.000 0.803 186 L CB 1.471 43.532 42.059 0.002 0.000 1.212 186 L HN -0.116 nan 8.230 nan 0.000 0.451 187 L N 0.685 121.920 121.223 0.020 0.000 2.326 187 L HA 0.169 4.521 4.340 0.019 0.000 0.278 187 L C 1.262 178.144 176.870 0.021 0.000 1.092 187 L CA 0.508 55.364 54.840 0.026 0.000 0.810 187 L CB 1.633 43.716 42.059 0.041 0.000 1.153 187 L HN 0.788 nan 8.230 nan 0.000 0.439 188 S N 2.155 117.866 115.700 0.018 0.000 2.402 188 S HA 0.084 4.565 4.470 0.019 0.000 0.229 188 S C 0.352 174.961 174.600 0.016 0.000 1.021 188 S CA 0.463 58.672 58.200 0.015 0.000 0.974 188 S CB -0.132 63.076 63.200 0.013 0.000 0.800 188 S HN 0.716 nan 8.310 nan 0.000 0.484 189 E N -0.510 119.701 120.200 0.019 0.000 2.430 189 E HA 0.453 4.815 4.350 0.019 0.000 0.279 189 E C -1.854 174.758 176.600 0.020 0.000 1.003 189 E CA -1.026 55.384 56.400 0.016 0.000 0.801 189 E CB 1.405 31.113 29.700 0.013 0.000 1.313 189 E HN 0.142 nan 8.360 nan 0.000 0.459 190 L N 3.811 125.041 121.223 0.011 0.000 2.462 190 L HA 0.216 4.568 4.340 0.019 0.000 0.272 190 L C -2.190 174.689 176.870 0.015 0.000 1.166 190 L CA -0.822 54.023 54.840 0.007 0.000 0.880 190 L CB 0.065 42.111 42.059 -0.022 0.000 1.142 190 L HN 0.313 nan 8.230 nan 0.000 0.473 191 P HA 0.175 nan 4.420 nan 0.000 0.274 191 P C -0.710 176.613 177.300 0.039 0.000 1.237 191 P CA -0.453 62.670 63.100 0.040 0.000 0.793 191 P CB 0.338 32.073 31.700 0.059 0.000 0.977 192 T N -0.948 113.633 114.554 0.046 0.000 2.788 192 T HA 0.078 4.440 4.350 0.019 0.000 0.287 192 T C 1.285 176.035 174.700 0.084 0.000 1.007 192 T CA -0.666 61.466 62.100 0.053 0.000 1.005 192 T CB 0.261 69.160 68.868 0.052 0.000 1.012 192 T HN 0.190 nan 8.240 nan 0.000 0.530 193 L N 0.427 121.712 121.223 0.102 0.000 2.042 193 L HA 0.050 4.402 4.340 0.019 0.000 0.210 193 L C 2.528 179.513 176.870 0.190 0.000 1.076 193 L CA 1.936 56.873 54.840 0.161 0.000 0.749 193 L CB -1.088 41.079 42.059 0.180 0.000 0.893 193 L HN 0.809 nan 8.230 nan 0.000 0.432 194 K N -0.443 120.036 120.400 0.132 0.000 2.097 194 K HA -0.164 4.168 4.320 0.019 0.000 0.206 194 K C 2.090 178.735 176.600 0.075 0.000 1.049 194 K CA 1.616 57.963 56.287 0.099 0.000 0.933 194 K CB -0.188 32.354 32.500 0.069 0.000 0.717 194 K HN 0.542 nan 8.250 nan 0.000 0.442 195 Q N -0.363 119.483 119.800 0.076 0.000 2.291 195 Q HA -0.040 4.312 4.340 0.019 0.000 0.205 195 Q C 1.662 177.710 176.000 0.080 0.000 0.970 195 Q CA 0.910 56.750 55.803 0.062 0.000 0.876 195 Q CB 0.047 28.819 28.738 0.056 0.000 0.935 195 Q HN 0.306 nan 8.270 nan 0.000 0.455 196 L N -0.940 120.366 121.223 0.139 0.000 2.492 196 L HA 0.107 4.458 4.340 0.019 0.000 0.223 196 L C 0.997 177.964 176.870 0.162 0.000 1.132 196 L CA 0.474 55.444 54.840 0.216 0.000 0.850 196 L CB 0.104 42.355 42.059 0.321 0.000 0.966 196 L HN 0.389 nan 8.230 nan 0.000 0.454 197 G N -0.340 108.470 108.800 0.016 0.000 2.141 197 G HA2 -0.244 3.728 3.960 0.019 0.000 0.195 197 G HA3 -0.244 3.728 3.960 0.019 0.000 0.195 197 G C -0.243 174.277 174.900 -0.633 0.000 1.012 197 G CA -0.488 44.437 45.100 -0.291 0.000 0.696 197 G HN 0.169 nan 8.290 nan 0.000 0.508 198 F N -0.611 119.375 119.950 0.060 0.000 2.664 198 F HA 0.770 5.309 4.527 0.019 0.000 0.317 198 F C -0.270 175.592 175.800 0.103 0.000 1.108 198 F CA -1.046 57.000 58.000 0.078 0.000 0.957 198 F CB 2.238 41.284 39.000 0.077 0.000 1.365 198 F HN -0.005 nan 8.300 nan 0.000 0.475 199 D N 0.304 120.914 120.400 0.351 0.000 2.947 199 D HA 0.294 4.945 4.640 0.019 0.000 0.224 199 D C -2.075 174.461 176.300 0.393 0.000 1.230 199 D CA -0.239 53.927 54.000 0.277 0.000 0.871 199 D CB 2.054 42.956 40.800 0.170 0.000 1.671 199 D HN 0.596 nan 8.370 nan 0.000 0.507 200 W N 4.588 125.938 121.300 0.083 0.000 3.624 200 W HA 0.269 4.941 4.660 0.019 0.000 0.312 200 W C -1.565 174.949 176.519 -0.008 0.000 1.203 200 W CA -0.633 56.735 57.345 0.038 0.000 1.225 200 W CB 1.802 31.288 29.460 0.044 0.000 1.321 200 W HN 0.482 nan 8.180 nan 0.000 0.506 201 D N 2.126 121.988 120.400 -0.897 0.000 2.672 201 D HA 0.107 4.758 4.640 0.019 0.000 0.287 201 D C 0.843 176.550 176.300 -0.989 0.000 1.559 201 D CA -0.107 53.467 54.000 -0.710 0.000 0.796 201 D CB -0.015 40.581 40.800 -0.342 0.000 1.181 201 D HN 0.482 nan 8.370 nan 0.000 0.458 202 G N 0.184 107.797 108.800 -1.979 0.000 2.985 202 G HA2 0.450 4.421 3.960 0.019 0.000 0.209 202 G HA3 0.450 4.421 3.960 0.019 0.000 0.209 202 G C 1.005 175.585 174.900 -0.534 0.000 1.165 202 G CA 0.336 44.669 45.100 -1.279 0.000 0.776 202 G HN 0.712 nan 8.290 nan 0.000 0.541 203 G N -0.787 107.663 108.800 -0.585 0.000 2.725 203 G HA2 0.024 3.996 3.960 0.019 0.000 0.220 203 G HA3 0.024 3.996 3.960 0.019 0.000 0.220 203 G C -0.603 174.024 174.900 -0.456 0.000 1.357 203 G CA -0.506 44.362 45.100 -0.387 0.000 0.866 203 G HN 0.508 nan 8.290 nan 0.000 0.548 204 F N -0.703 119.395 119.950 0.246 0.000 2.626 204 F HA 0.645 5.184 4.527 0.019 0.000 0.311 204 F C -1.090 174.731 175.800 0.036 0.000 1.088 204 F CA -1.091 57.025 58.000 0.194 0.000 0.949 204 F CB 1.808 40.946 39.000 0.230 0.000 1.322 204 F HN 0.348 nan 8.300 nan 0.000 0.461 205 P HA 0.035 nan 4.420 nan 0.000 0.225 205 P C -0.275 176.966 177.300 -0.097 0.000 1.156 205 P CA 0.833 63.791 63.100 -0.237 0.000 0.787 205 P CB 1.195 32.465 31.700 -0.717 0.000 0.802 206 V N -0.297 119.657 119.914 0.066 0.000 2.969 206 V HA 0.247 4.378 4.120 0.019 0.000 0.304 206 V C -1.069 175.134 176.094 0.183 0.000 1.192 206 V CA -0.896 61.458 62.300 0.089 0.000 0.962 206 V CB 2.584 34.438 31.823 0.052 0.000 1.045 206 V HN -0.232 nan 8.190 nan 0.000 0.428 207 E N 5.197 125.470 120.200 0.122 0.000 2.415 207 E HA 0.270 4.631 4.350 0.019 0.000 0.262 207 E C -2.424 174.110 176.600 -0.110 0.000 1.038 207 E CA -1.513 54.914 56.400 0.044 0.000 0.921 207 E CB 0.525 30.246 29.700 0.034 0.000 0.950 207 E HN 0.536 nan 8.360 nan 0.000 0.438 208 P HA 0.192 nan 4.420 nan 0.000 0.269 208 P C -0.214 176.807 177.300 -0.465 0.000 1.215 208 P CA 0.469 63.074 63.100 -0.825 0.000 0.780 208 P CB 0.524 31.601 31.700 -1.039 0.000 0.898 209 G N 0.839 109.357 108.800 -0.470 0.000 2.650 209 G HA2 -0.155 3.816 3.960 0.019 0.000 0.686 209 G HA3 -0.155 3.816 3.960 0.019 0.000 0.686 209 G C 0.570 175.406 174.900 -0.106 0.000 1.205 209 G CA -0.109 44.842 45.100 -0.247 0.000 0.781 209 G HN 0.520 nan 8.290 nan 0.000 0.648 210 E N -0.345 119.811 120.200 -0.073 0.000 2.058 210 E HA -0.162 4.200 4.350 0.019 0.000 0.194 210 E C 2.463 179.057 176.600 -0.010 0.000 0.997 210 E CA 2.240 58.629 56.400 -0.019 0.000 0.801 210 E CB -0.158 29.526 29.700 -0.026 0.000 0.746 210 E HN 0.613 nan 8.360 nan 0.000 0.450 211 T N 0.604 115.140 114.554 -0.030 0.000 2.652 211 T HA -0.161 4.200 4.350 0.019 0.000 0.267 211 T C 1.889 176.586 174.700 -0.006 0.000 1.039 211 T CA 1.546 63.635 62.100 -0.018 0.000 1.153 211 T CB -0.388 68.463 68.868 -0.028 0.000 0.863 211 T HN 0.360 nan 8.240 nan 0.000 0.428 212 A N 1.271 124.083 122.820 -0.014 0.000 1.972 212 A HA 0.192 4.524 4.320 0.019 0.000 0.219 212 A C 2.610 180.210 177.584 0.028 0.000 1.169 212 A CA 1.770 53.808 52.037 0.003 0.000 0.635 212 A CB -1.001 17.994 19.000 -0.009 0.000 0.810 212 A HN 0.512 nan 8.150 nan 0.000 0.446 213 A N 0.103 122.947 122.820 0.040 0.000 1.877 213 A HA -0.071 4.260 4.320 0.019 0.000 0.216 213 A C 2.111 179.734 177.584 0.064 0.000 1.186 213 A CA 1.497 53.577 52.037 0.071 0.000 0.620 213 A CB -0.583 18.476 19.000 0.098 0.000 0.822 213 A HN 0.482 nan 8.150 nan 0.000 0.443 214 I N -0.246 120.355 120.570 0.052 0.000 2.226 214 I HA -0.281 3.901 4.170 0.019 0.000 0.245 214 I C 2.984 179.126 176.117 0.042 0.000 1.100 214 I CA 0.983 62.313 61.300 0.050 0.000 1.374 214 I CB -0.372 37.649 38.000 0.036 0.000 1.057 214 I HN 0.375 nan 8.210 nan 0.000 0.413 215 A N 0.933 123.772 122.820 0.031 0.000 1.883 215 A HA -0.282 4.049 4.320 0.019 0.000 0.217 215 A C 2.338 179.943 177.584 0.035 0.000 1.186 215 A CA 2.129 54.182 52.037 0.027 0.000 0.624 215 A CB -0.564 18.448 19.000 0.019 0.000 0.822 215 A HN 0.302 nan 8.150 nan 0.000 0.444 216 R N -0.340 120.184 120.500 0.040 0.000 2.081 216 R HA -0.092 4.260 4.340 0.019 0.000 0.235 216 R C 1.898 178.234 176.300 0.061 0.000 1.131 216 R CA 1.761 57.886 56.100 0.042 0.000 0.960 216 R CB -1.011 29.305 30.300 0.026 0.000 0.856 216 R HN 0.439 nan 8.270 nan 0.000 0.436 217 L N 0.874 122.136 121.223 0.064 0.000 1.989 217 L HA -0.195 4.156 4.340 0.019 0.000 0.211 217 L C 2.029 178.938 176.870 0.065 0.000 1.071 217 L CA 1.967 56.855 54.840 0.080 0.000 0.749 217 L CB -0.639 41.481 42.059 0.102 0.000 0.890 217 L HN 0.337 nan 8.230 nan 0.000 0.431 218 Q N -0.603 119.224 119.800 0.044 0.000 2.084 218 Q HA -0.230 4.121 4.340 0.019 0.000 0.202 218 Q C 2.062 178.065 176.000 0.006 0.000 0.978 218 Q CA 1.960 57.774 55.803 0.018 0.000 0.844 218 Q CB -0.279 28.469 28.738 0.016 0.000 0.898 218 Q HN 0.686 nan 8.270 nan 0.000 0.426 219 E N 0.287 120.504 120.200 0.028 0.000 2.047 219 E HA -0.174 4.187 4.350 0.019 0.000 0.191 219 E C 1.752 178.367 176.600 0.024 0.000 0.987 219 E CA 0.890 57.304 56.400 0.023 0.000 0.799 219 E CB -0.197 29.527 29.700 0.041 0.000 0.752 219 E HN 0.224 nan 8.360 nan 0.000 0.449 220 F N 1.260 121.140 119.950 -0.117 0.000 2.102 220 F HA -0.200 4.338 4.527 0.019 0.000 0.298 220 F C 2.102 177.759 175.800 -0.239 0.000 1.105 220 F CA 1.098 58.987 58.000 -0.184 0.000 1.239 220 F CB -0.348 38.497 39.000 -0.259 0.000 0.991 220 F HN -0.000 nan 8.300 nan 0.000 0.474 221 C N 0.332 119.495 119.300 -0.229 0.000 2.449 221 C HA -0.110 4.362 4.460 0.019 0.000 0.283 221 C C 2.405 177.245 174.990 -0.249 0.000 1.453 221 C CA 1.089 59.911 59.018 -0.327 0.000 1.779 221 C CB -1.391 26.244 27.740 -0.174 0.000 1.779 221 C HN 0.554 nan 8.230 nan 0.000 0.546 222 D N -0.370 119.923 120.400 -0.180 0.000 2.350 222 D HA 0.024 4.675 4.640 0.019 0.000 0.213 222 D C 1.946 178.160 176.300 -0.145 0.000 1.031 222 D CA 0.501 54.423 54.000 -0.129 0.000 0.861 222 D CB 0.393 41.149 40.800 -0.075 0.000 0.926 222 D HN 0.399 nan 8.370 nan 0.000 0.520 223 R N -0.849 119.527 120.500 -0.207 0.000 5.526 223 R HA 0.333 4.684 4.340 0.019 0.000 0.096 223 R C 2.049 178.194 176.300 -0.257 0.000 1.019 223 R CA 0.442 56.434 56.100 -0.180 0.000 0.836 223 R CB -1.272 28.966 30.300 -0.103 0.000 1.241 223 R HN 0.052 nan 8.270 nan 0.000 0.385 224 A N 1.324 123.983 122.820 -0.269 0.000 1.997 224 A HA -0.128 4.203 4.320 0.019 0.000 0.221 224 A C 2.011 179.282 177.584 -0.522 0.000 1.172 224 A CA 2.137 54.013 52.037 -0.269 0.000 0.645 224 A CB -0.902 18.068 19.000 -0.050 0.000 0.813 224 A HN 0.503 nan 8.150 nan 0.000 0.454 225 I N -0.660 119.251 120.570 -1.099 0.000 2.423 225 I HA -0.262 3.920 4.170 0.019 0.000 0.254 225 I C 2.541 178.441 176.117 -0.361 0.000 1.151 225 I CA 1.185 61.842 61.300 -1.071 0.000 1.421 225 I CB -0.143 37.134 38.000 -1.205 0.000 1.079 225 I HN 0.362 nan 8.210 nan 0.000 0.431 226 A N -0.236 122.421 122.820 -0.272 0.000 2.070 226 A HA -0.202 4.130 4.320 0.019 0.000 0.220 226 A C 1.644 179.208 177.584 -0.032 0.000 1.159 226 A CA 1.873 53.837 52.037 -0.121 0.000 0.656 226 A CB -0.363 18.569 19.000 -0.114 0.000 0.800 226 A HN 0.515 nan 8.150 nan 0.000 0.453 227 D N -2.590 117.802 120.400 -0.013 0.000 2.395 227 D HA 0.069 4.721 4.640 0.019 0.000 0.213 227 D C 0.990 177.373 176.300 0.138 0.000 1.110 227 D CA -0.170 53.866 54.000 0.059 0.000 0.835 227 D CB -0.145 40.686 40.800 0.052 0.000 0.965 227 D HN 0.472 nan 8.370 nan 0.000 0.505 228 Y N 2.145 122.462 120.300 0.028 0.000 2.132 228 Y HA -0.246 4.315 4.550 0.019 0.000 0.280 228 Y C 0.505 176.480 175.900 0.125 0.000 1.193 228 Y CA 1.518 59.695 58.100 0.128 0.000 1.157 228 Y CB 0.045 38.617 38.460 0.187 0.000 0.966 228 Y HN -0.168 nan 8.280 nan 0.000 0.511 229 D N -0.064 120.403 120.400 0.111 0.000 2.303 229 D HA 0.228 4.880 4.640 0.019 0.000 0.236 229 D C -2.219 174.113 176.300 0.055 0.000 1.068 229 D CA -2.470 51.538 54.000 0.013 0.000 0.830 229 D CB 1.397 42.241 40.800 0.074 0.000 1.109 229 D HN 0.076 nan 8.370 nan 0.000 0.496 230 P HA 0.070 nan 4.420 nan 0.000 0.272 230 P C 0.588 177.893 177.300 0.009 0.000 1.408 230 P CA -0.109 62.993 63.100 0.002 0.000 0.996 230 P CB 0.800 32.549 31.700 0.082 0.000 1.481 231 Q N 1.021 120.888 119.800 0.111 0.000 2.297 231 Q HA -0.144 4.208 4.340 0.019 0.000 0.208 231 Q C 2.185 178.232 176.000 0.078 0.000 0.981 231 Q CA 1.195 57.136 55.803 0.230 0.000 0.876 231 Q CB -0.598 28.267 28.738 0.213 0.000 0.921 231 Q HN 0.550 nan 8.270 nan 0.000 0.446 232 R N 0.048 120.428 120.500 -0.200 0.000 2.193 232 R HA -0.039 4.312 4.340 0.019 0.000 0.229 232 R C 1.080 177.263 176.300 -0.195 0.000 1.110 232 R CA 1.247 57.160 56.100 -0.313 0.000 0.988 232 R CB -0.257 29.443 30.300 -1.000 0.000 0.871 232 R HN 0.162 nan 8.270 nan 0.000 0.458 233 N N 0.359 118.792 118.700 -0.444 0.000 2.463 233 N HA -0.011 4.740 4.740 0.019 0.000 0.181 233 N C -0.603 174.478 175.510 -0.715 0.000 1.078 233 N CA 0.600 53.242 53.050 -0.680 0.000 0.902 233 N CB 0.143 38.123 38.487 -0.844 0.000 0.970 233 N HN 0.143 nan 8.380 nan 0.000 0.451 234 F N 1.934 121.841 119.950 -0.072 0.000 2.334 234 F HA 0.331 4.870 4.527 0.020 0.000 0.367 234 F C -1.285 174.246 175.800 -0.448 0.000 1.115 234 F CA -2.616 55.292 58.000 -0.153 0.000 1.116 234 F CB 1.285 40.278 39.000 -0.012 0.000 1.230 234 F HN -0.145 nan 8.300 nan 0.000 0.484 235 P HA -0.219 nan 4.420 nan 0.000 0.221 235 P C 1.221 178.455 177.300 -0.111 0.000 1.145 235 P CA 1.432 64.003 63.100 -0.880 0.000 0.795 235 P CB 0.255 31.234 31.700 -1.203 0.000 0.775 236 A N -0.483 122.389 122.820 0.087 0.000 2.066 236 A HA -0.043 4.289 4.320 0.019 0.000 0.218 236 A C 1.268 178.970 177.584 0.196 0.000 1.157 236 A CA 0.849 53.040 52.037 0.257 0.000 0.670 236 A CB -0.428 18.688 19.000 0.193 0.000 0.804 236 A HN 0.113 nan 8.150 nan 0.000 0.453 237 E N -0.564 119.739 120.200 0.172 0.000 2.277 237 E HA 0.495 4.857 4.350 0.019 0.000 0.274 237 E C -0.447 176.291 176.600 0.231 0.000 1.022 237 E CA -0.070 56.439 56.400 0.182 0.000 0.853 237 E CB 1.338 31.159 29.700 0.202 0.000 1.086 237 E HN 0.168 nan 8.360 nan 0.000 0.397 238 A N 1.981 124.925 122.820 0.206 0.000 3.168 238 A HA 0.363 4.694 4.320 0.019 0.000 0.260 238 A C 1.105 178.837 177.584 0.247 0.000 1.598 238 A CA 0.079 52.247 52.037 0.217 0.000 1.285 238 A CB -0.767 18.323 19.000 0.150 0.000 1.149 238 A HN 0.594 nan 8.150 nan 0.000 0.630 239 G N -0.019 108.966 108.800 0.308 0.000 2.939 239 G HA2 0.240 4.211 3.960 0.019 0.000 0.210 239 G HA3 0.240 4.211 3.960 0.019 0.000 0.210 239 G C 0.841 176.038 174.900 0.495 0.000 1.160 239 G CA 0.921 46.229 45.100 0.348 0.000 0.770 239 G HN 0.700 nan 8.290 nan 0.000 0.543 240 T N -2.634 112.178 114.554 0.430 0.000 2.923 240 T HA 0.458 4.820 4.350 0.019 0.000 0.281 240 T C 1.786 176.483 174.700 -0.004 0.000 0.995 240 T CA 0.475 62.823 62.100 0.414 0.000 0.985 240 T CB 1.591 70.684 68.868 0.375 0.000 1.114 240 T HN 0.105 nan 8.240 nan 0.000 0.548 241 S N -0.482 114.935 115.700 -0.471 0.000 2.406 241 S HA 0.231 4.713 4.470 0.019 0.000 0.228 241 S C 2.055 176.454 174.600 -0.334 0.000 1.020 241 S CA 0.782 58.443 58.200 -0.899 0.000 0.965 241 S CB -1.322 61.280 63.200 -0.996 0.000 0.798 241 S HN 2.239 nan 8.310 nan 0.000 0.488 242 G N 0.986 109.677 108.800 -0.181 0.000 2.155 242 G HA2 -0.231 3.741 3.960 0.019 0.000 0.257 242 G HA3 -0.231 3.741 3.960 0.019 0.000 0.257 242 G C 0.454 175.266 174.900 -0.147 0.000 0.983 242 G CA 0.532 45.472 45.100 -0.266 0.000 0.676 242 G HN 0.563 nan 8.290 nan 0.000 0.528 243 L N 1.431 122.622 121.223 -0.052 0.000 2.591 243 L HA 0.080 4.431 4.340 0.019 0.000 0.228 243 L C 2.850 179.743 176.870 0.039 0.000 1.133 243 L CA 1.024 55.873 54.840 0.016 0.000 0.880 243 L CB -0.196 41.911 42.059 0.080 0.000 1.033 243 L HN 0.486 nan 8.230 nan 0.000 0.450 244 S N 0.914 116.651 115.700 0.062 0.000 2.372 244 S HA -0.135 4.346 4.470 0.019 0.000 0.227 244 S C -0.269 174.328 174.600 -0.005 0.000 1.044 244 S CA 1.347 59.587 58.200 0.068 0.000 1.050 244 S CB -1.867 61.432 63.200 0.166 0.000 0.901 244 S HN 0.327 nan 8.310 nan 0.000 0.447 245 P HA 0.153 nan 4.420 nan 0.000 0.222 245 P C 1.530 178.752 177.300 -0.130 0.000 1.153 245 P CA 1.481 64.405 63.100 -0.293 0.000 0.798 245 P CB -0.203 31.001 31.700 -0.827 0.000 0.796 246 A N 0.140 122.960 122.820 0.000 0.000 1.969 246 A HA -0.066 4.265 4.320 0.019 0.000 0.218 246 A C 2.348 180.050 177.584 0.196 0.000 1.169 246 A CA 1.061 53.235 52.037 0.228 0.000 0.635 246 A CB -1.459 17.660 19.000 0.198 0.000 0.810 246 A HN 0.135 nan 8.150 nan 0.000 0.445 247 L N -0.832 120.465 121.223 0.122 0.000 2.179 247 L HA -0.078 4.273 4.340 0.019 0.000 0.208 247 L C 2.605 179.526 176.870 0.084 0.000 1.096 247 L CA 1.103 56.010 54.840 0.113 0.000 0.779 247 L CB -0.298 41.812 42.059 0.085 0.000 0.922 247 L HN 0.300 nan 8.230 nan 0.000 0.443 248 K N 0.763 121.178 120.400 0.024 0.000 2.025 248 K HA -0.147 4.185 4.320 0.019 0.000 0.207 248 K C 1.723 178.231 176.600 -0.153 0.000 1.049 248 K CA 1.818 58.036 56.287 -0.114 0.000 0.933 248 K CB -0.147 32.200 32.500 -0.255 0.000 0.714 248 K HN 0.188 nan 8.250 nan 0.000 0.438 249 F N 0.186 120.210 119.950 0.122 0.000 2.765 249 F HA 0.226 4.765 4.527 0.020 0.000 0.302 249 F C 1.240 177.146 175.800 0.177 0.000 1.111 249 F CA 0.602 58.706 58.000 0.174 0.000 1.359 249 F CB 0.175 39.327 39.000 0.253 0.000 1.097 249 F HN 0.313 nan 8.300 nan 0.000 0.577 250 G N 0.682 109.658 108.800 0.294 0.000 2.246 250 G HA2 -0.276 3.696 3.960 0.019 0.000 0.273 250 G HA3 -0.276 3.696 3.960 0.019 0.000 0.273 250 G C 1.212 176.251 174.900 0.231 0.000 1.055 250 G CA 0.334 45.581 45.100 0.244 0.000 0.851 250 G HN 0.562 nan 8.290 nan 0.000 0.500 251 A N -1.300 121.665 122.820 0.243 0.000 2.119 251 A HA 0.530 4.862 4.320 0.019 0.000 0.217 251 A C 1.083 178.747 177.584 0.133 0.000 1.153 251 A CA 1.591 53.728 52.037 0.166 0.000 0.692 251 A CB 0.222 19.330 19.000 0.180 0.000 0.799 251 A HN 1.371 nan 8.150 nan 0.000 0.458 252 I N -1.491 119.172 120.570 0.154 0.000 2.582 252 I HA 0.609 4.791 4.170 0.019 0.000 0.292 252 I C 0.365 176.570 176.117 0.147 0.000 1.066 252 I CA -0.629 60.754 61.300 0.137 0.000 1.053 252 I CB 1.681 39.768 38.000 0.144 0.000 1.241 252 I HN 0.035 nan 8.210 nan 0.000 0.421 253 G N 5.561 114.440 108.800 0.133 0.000 2.432 253 G HA2 0.277 4.248 3.960 0.019 0.000 0.257 253 G HA3 0.277 4.248 3.960 0.019 0.000 0.257 253 G C 0.570 175.566 174.900 0.160 0.000 1.238 253 G CA -0.233 44.948 45.100 0.136 0.000 0.838 253 G HN 0.734 nan 8.290 nan 0.000 0.547 254 I N 1.367 122.034 120.570 0.163 0.000 2.493 254 I HA -0.046 4.136 4.170 0.019 0.000 0.254 254 I C 2.616 178.864 176.117 0.218 0.000 1.160 254 I CA 1.037 62.452 61.300 0.192 0.000 1.445 254 I CB -0.045 38.060 38.000 0.174 0.000 1.086 254 I HN 0.580 nan 8.210 nan 0.000 0.433 255 R N -0.528 120.069 120.500 0.161 0.000 2.090 255 R HA -0.125 4.226 4.340 0.019 0.000 0.228 255 R C 2.254 178.683 176.300 0.215 0.000 1.110 255 R CA 1.286 57.485 56.100 0.164 0.000 0.973 255 R CB -0.369 29.980 30.300 0.083 0.000 0.869 255 R HN 0.478 nan 8.270 nan 0.000 0.440 256 Q N 0.312 120.216 119.800 0.174 0.000 2.119 256 Q HA -0.109 4.242 4.340 0.019 0.000 0.201 256 Q C 1.979 178.102 176.000 0.204 0.000 0.972 256 Q CA 1.481 57.380 55.803 0.160 0.000 0.847 256 Q CB -0.007 28.805 28.738 0.122 0.000 0.903 256 Q HN 0.368 nan 8.270 nan 0.000 0.433 257 A N 0.879 123.851 122.820 0.254 0.000 1.877 257 A HA -0.206 4.126 4.320 0.019 0.000 0.216 257 A C 1.835 179.651 177.584 0.388 0.000 1.186 257 A CA 1.235 53.470 52.037 0.331 0.000 0.620 257 A CB -1.369 17.846 19.000 0.359 0.000 0.822 257 A HN 0.811 nan 8.150 nan 0.000 0.443 258 W N 0.701 122.133 121.300 0.220 0.000 2.358 258 W HA -0.203 4.468 4.660 0.018 0.000 0.303 258 W C 2.172 178.795 176.519 0.174 0.000 1.208 258 W CA 2.042 59.516 57.345 0.214 0.000 1.274 258 W CB -0.409 29.135 29.460 0.139 0.000 1.138 258 W HN 0.600 nan 8.180 nan 0.000 0.515 259 Q N 0.558 120.512 119.800 0.255 0.000 2.135 259 Q HA -0.192 4.160 4.340 0.019 0.000 0.204 259 Q C 2.326 178.347 176.000 0.036 0.000 0.981 259 Q CA 2.275 58.159 55.803 0.135 0.000 0.856 259 Q CB -0.402 28.428 28.738 0.154 0.000 0.902 259 Q HN 0.195 nan 8.270 nan 0.000 0.425 260 A N 0.563 123.421 122.820 0.063 0.000 1.930 260 A HA -0.052 4.279 4.320 0.019 0.000 0.217 260 A C 2.241 179.807 177.584 -0.029 0.000 1.175 260 A CA 1.512 53.565 52.037 0.027 0.000 0.627 260 A CB -0.806 18.228 19.000 0.057 0.000 0.815 260 A HN 0.547 nan 8.150 nan 0.000 0.443 261 A N -0.538 122.263 122.820 -0.031 0.000 1.898 261 A HA -0.034 4.297 4.320 0.019 0.000 0.216 261 A C 2.429 179.922 177.584 -0.151 0.000 1.181 261 A CA 1.946 53.937 52.037 -0.077 0.000 0.620 261 A CB -0.853 18.176 19.000 0.049 0.000 0.819 261 A HN 0.436 nan 8.150 nan 0.000 0.442 262 S N 0.071 115.601 115.700 -0.283 0.000 2.370 262 S HA -0.078 4.403 4.470 0.019 0.000 0.226 262 S C 2.284 176.858 174.600 -0.043 0.000 1.033 262 S CA 1.219 59.288 58.200 -0.217 0.000 1.011 262 S CB -0.473 62.595 63.200 -0.220 0.000 0.852 262 S HN 0.794 nan 8.310 nan 0.000 0.457 263 A N 1.567 124.366 122.820 -0.034 0.000 1.902 263 A HA 0.092 4.424 4.320 0.019 0.000 0.217 263 A C 2.359 179.939 177.584 -0.007 0.000 1.181 263 A CA 1.712 53.746 52.037 -0.005 0.000 0.623 263 A CB -1.059 17.937 19.000 -0.006 0.000 0.818 263 A HN 0.521 nan 8.150 nan 0.000 0.443 264 A N -1.422 121.379 122.820 -0.032 0.000 1.933 264 A HA -0.207 4.124 4.320 0.019 0.000 0.218 264 A C 2.148 179.721 177.584 -0.019 0.000 1.175 264 A CA 1.717 53.722 52.037 -0.054 0.000 0.628 264 A CB -0.907 18.025 19.000 -0.113 0.000 0.814 264 A HN 0.725 nan 8.150 nan 0.000 0.444 265 H N 0.170 119.196 119.070 -0.073 0.000 2.353 265 H HA -0.053 4.514 4.556 0.019 0.000 0.300 265 H C 2.275 177.587 175.328 -0.026 0.000 1.090 265 H CA 1.740 57.762 56.048 -0.043 0.000 1.327 265 H CB -0.234 29.505 29.762 -0.040 0.000 1.383 265 H HN 0.401 nan 8.280 nan 0.000 0.508 266 A N 0.863 123.774 122.820 0.151 0.000 1.972 266 A HA -0.057 4.274 4.320 0.019 0.000 0.219 266 A C 2.504 180.100 177.584 0.019 0.000 1.169 266 A CA 1.093 53.189 52.037 0.098 0.000 0.635 266 A CB -0.527 18.517 19.000 0.073 0.000 0.810 266 A HN 0.433 nan 8.150 nan 0.000 0.446 267 L N -0.055 121.162 121.223 -0.010 0.000 2.628 267 L HA 0.133 4.484 4.340 0.019 0.000 0.229 267 L C 0.404 177.240 176.870 -0.057 0.000 1.137 267 L CA -0.434 54.388 54.840 -0.029 0.000 0.909 267 L CB 0.064 42.106 42.059 -0.028 0.000 1.137 267 L HN 0.107 nan 8.230 nan 0.000 0.470 268 S N 0.365 116.009 115.700 -0.092 0.000 2.579 268 S HA 0.209 4.691 4.470 0.019 0.000 0.275 268 S C 1.005 175.547 174.600 -0.096 0.000 1.345 268 S CA -0.080 58.048 58.200 -0.120 0.000 1.031 268 S CB 0.754 63.828 63.200 -0.209 0.000 0.892 268 S HN 0.315 nan 8.310 nan 0.000 0.529 269 R N 0.762 121.214 120.500 -0.079 0.000 2.659 269 R HA 0.219 4.571 4.340 0.019 0.000 0.418 269 R C -0.554 175.715 176.300 -0.050 0.000 1.076 269 R CA -0.067 55.999 56.100 -0.057 0.000 1.093 269 R CB 0.465 30.740 30.300 -0.042 0.000 1.400 269 R HN 0.687 nan 8.270 nan 0.000 0.583 270 S N -1.871 113.792 115.700 -0.063 0.000 2.552 270 S HA 0.195 4.677 4.470 0.019 0.000 0.272 270 S C -0.478 174.091 174.600 -0.051 0.000 1.150 270 S CA -0.871 57.303 58.200 -0.044 0.000 0.849 270 S CB 1.728 64.908 63.200 -0.032 0.000 1.113 270 S HN -0.098 nan 8.310 nan 0.000 0.458 271 D N 1.245 121.630 120.400 -0.025 0.000 2.178 271 D HA 0.021 4.673 4.640 0.019 0.000 0.202 271 D C 1.447 177.749 176.300 0.003 0.000 0.974 271 D CA 1.428 55.422 54.000 -0.009 0.000 0.841 271 D CB -0.009 40.799 40.800 0.012 0.000 0.953 271 D HN 0.671 nan 8.370 nan 0.000 0.478 272 E N 0.548 120.750 120.200 0.003 0.000 2.047 272 E HA -0.050 4.311 4.350 0.019 0.000 0.191 272 E C 2.046 178.654 176.600 0.014 0.000 0.987 272 E CA 1.197 57.607 56.400 0.018 0.000 0.799 272 E CB -0.406 29.304 29.700 0.016 0.000 0.752 272 E HN 0.248 nan 8.360 nan 0.000 0.449 273 A N 0.843 123.652 122.820 -0.018 0.000 1.902 273 A HA -0.179 4.153 4.320 0.019 0.000 0.217 273 A C 2.089 179.647 177.584 -0.043 0.000 1.181 273 A CA 1.533 53.547 52.037 -0.038 0.000 0.623 273 A CB -0.378 18.579 19.000 -0.071 0.000 0.818 273 A HN 0.068 nan 8.150 nan 0.000 0.443 274 R N -0.692 119.755 120.500 -0.089 0.000 2.081 274 R HA -0.180 4.172 4.340 0.019 0.000 0.235 274 R C 2.244 178.596 176.300 0.086 0.000 1.131 274 R CA 1.643 57.664 56.100 -0.132 0.000 0.960 274 R CB -0.417 29.741 30.300 -0.237 0.000 0.856 274 R HN 0.706 nan 8.270 nan 0.000 0.436 275 N N 0.251 119.003 118.700 0.086 0.000 2.084 275 N HA -0.136 4.616 4.740 0.019 0.000 0.190 275 N C 1.540 177.147 175.510 0.163 0.000 1.030 275 N CA 1.905 55.034 53.050 0.132 0.000 0.849 275 N CB -0.095 38.452 38.487 0.099 0.000 1.012 275 N HN -0.046 nan 8.380 nan 0.000 0.423 276 S N -0.039 115.746 115.700 0.142 0.000 2.359 276 S HA -0.078 4.404 4.470 0.019 0.000 0.224 276 S C 1.938 176.689 174.600 0.252 0.000 1.035 276 S CA 1.233 59.556 58.200 0.206 0.000 1.018 276 S CB -0.383 62.906 63.200 0.148 0.000 0.876 276 S HN 0.367 nan 8.310 nan 0.000 0.448 277 I N 0.771 121.440 120.570 0.166 0.000 2.226 277 I HA -0.169 4.013 4.170 0.019 0.000 0.245 277 I C 2.658 178.929 176.117 0.257 0.000 1.100 277 I CA 1.057 62.459 61.300 0.170 0.000 1.374 277 I CB -0.209 37.869 38.000 0.130 0.000 1.057 277 I HN 0.126 nan 8.210 nan 0.000 0.413 278 R N 0.822 121.488 120.500 0.277 0.000 2.092 278 R HA -0.090 4.261 4.340 0.019 0.000 0.231 278 R C 2.038 178.488 176.300 0.249 0.000 1.119 278 R CA 1.297 57.565 56.100 0.278 0.000 0.970 278 R CB -0.706 29.767 30.300 0.287 0.000 0.864 278 R HN 0.163 nan 8.270 nan 0.000 0.440 279 V N -0.863 119.206 119.914 0.259 0.000 2.427 279 V HA -0.195 3.936 4.120 0.019 0.000 0.248 279 V C 1.781 178.071 176.094 0.326 0.000 1.051 279 V CA 1.626 64.081 62.300 0.259 0.000 1.048 279 V CB -0.576 31.438 31.823 0.318 0.000 0.666 279 V HN 0.465 nan 8.190 nan 0.000 0.456 280 W N 0.792 122.155 121.300 0.105 0.000 2.381 280 W HA -0.150 4.522 4.660 0.019 0.000 0.301 280 W C 2.518 179.048 176.519 0.018 0.000 1.205 280 W CA 1.590 58.833 57.345 -0.170 0.000 1.285 280 W CB -0.175 29.061 29.460 -0.374 0.000 1.133 280 W HN 0.236 nan 8.180 nan 0.000 0.521 281 Q N -0.400 119.536 119.800 0.226 0.000 2.170 281 Q HA -0.263 4.088 4.340 0.019 0.000 0.203 281 Q C 2.142 178.303 176.000 0.269 0.000 0.976 281 Q CA 1.657 57.615 55.803 0.258 0.000 0.858 281 Q CB -0.431 28.491 28.738 0.307 0.000 0.907 281 Q HN 0.480 nan 8.270 nan 0.000 0.433 282 Q N 0.057 119.895 119.800 0.062 0.000 2.224 282 Q HA -0.151 4.200 4.340 0.019 0.000 0.203 282 Q C 1.710 177.683 176.000 -0.045 0.000 0.970 282 Q CA 0.664 56.324 55.803 -0.238 0.000 0.865 282 Q CB 0.179 28.617 28.738 -0.499 0.000 0.922 282 Q HN 0.332 nan 8.270 nan 0.000 0.445 283 E N 0.754 120.920 120.200 -0.055 0.000 2.106 283 E HA -0.108 4.254 4.350 0.019 0.000 0.192 283 E C 2.049 178.573 176.600 -0.127 0.000 0.984 283 E CA 0.706 57.058 56.400 -0.079 0.000 0.806 283 E CB -0.097 29.451 29.700 -0.253 0.000 0.750 283 E HN 0.396 nan 8.360 nan 0.000 0.458 284 L N 0.299 121.397 121.223 -0.208 0.000 2.141 284 L HA -0.089 4.263 4.340 0.019 0.000 0.209 284 L C 2.418 179.202 176.870 -0.143 0.000 1.094 284 L CA 0.962 55.732 54.840 -0.117 0.000 0.763 284 L CB -0.480 41.610 42.059 0.052 0.000 0.908 284 L HN 0.043 nan 8.230 nan 0.000 0.437 285 A N -0.809 121.838 122.820 -0.287 0.000 1.968 285 A HA -0.188 4.144 4.320 0.019 0.000 0.217 285 A C 1.915 179.322 177.584 -0.295 0.000 1.169 285 A CA 0.858 52.466 52.037 -0.714 0.000 0.638 285 A CB -0.736 17.963 19.000 -0.501 0.000 0.812 285 A HN 0.486 nan 8.150 nan 0.000 0.446 286 W N 0.026 121.209 121.300 -0.196 0.000 2.388 286 W HA -0.099 4.572 4.660 0.017 0.000 0.294 286 W C 2.546 178.961 176.519 -0.173 0.000 1.212 286 W CA 1.580 58.748 57.345 -0.294 0.000 1.271 286 W CB -0.024 29.179 29.460 -0.429 0.000 1.126 286 W HN 0.345 nan 8.180 nan 0.000 0.535 287 R N 1.000 121.573 120.500 0.122 0.000 2.091 287 R HA -0.189 4.162 4.340 0.019 0.000 0.238 287 R C 1.828 178.177 176.300 0.082 0.000 1.136 287 R CA 2.027 58.203 56.100 0.127 0.000 0.959 287 R CB -0.421 29.915 30.300 0.060 0.000 0.856 287 R HN 0.179 nan 8.270 nan 0.000 0.437 288 E N -0.265 119.916 120.200 -0.031 0.000 2.107 288 E HA -0.198 4.164 4.350 0.019 0.000 0.191 288 E C 1.818 178.247 176.600 -0.286 0.000 0.982 288 E CA 0.957 57.312 56.400 -0.075 0.000 0.809 288 E CB -0.269 29.392 29.700 -0.065 0.000 0.756 288 E HN 0.341 nan 8.360 nan 0.000 0.459 289 F N 1.251 120.806 119.950 -0.657 0.000 2.095 289 F HA -0.263 4.276 4.527 0.020 0.000 0.298 289 F C 1.963 177.472 175.800 -0.485 0.000 1.104 289 F CA 1.474 58.785 58.000 -1.149 0.000 1.232 289 F CB -0.348 37.898 39.000 -1.258 0.000 0.987 289 F HN -0.070 nan 8.300 nan 0.000 0.475 290 Y N 0.634 120.861 120.300 -0.122 0.000 2.242 290 Y HA -0.152 4.410 4.550 0.020 0.000 0.291 290 Y C 2.606 178.470 175.900 -0.060 0.000 1.137 290 Y CA 1.461 59.501 58.100 -0.101 0.000 1.181 290 Y CB -1.101 37.389 38.460 0.051 0.000 0.989 290 Y HN 0.211 nan 8.280 nan 0.000 0.527 291 Q N -0.979 118.915 119.800 0.157 0.000 2.079 291 Q HA -0.184 4.168 4.340 0.019 0.000 0.200 291 Q C 1.934 178.043 176.000 0.183 0.000 0.974 291 Q CA 1.377 57.287 55.803 0.178 0.000 0.840 291 Q CB -0.342 28.517 28.738 0.202 0.000 0.898 291 Q HN 0.705 nan 8.270 nan 0.000 0.430 292 H N -0.116 118.919 119.070 -0.058 0.000 2.353 292 H HA -0.094 4.474 4.556 0.019 0.000 0.300 292 H C 2.155 177.459 175.328 -0.041 0.000 1.090 292 H CA 0.657 56.653 56.048 -0.087 0.000 1.327 292 H CB 0.159 29.953 29.762 0.055 0.000 1.383 292 H HN 0.296 nan 8.280 nan 0.000 0.508 293 A N 1.270 124.104 122.820 0.024 0.000 1.883 293 A HA -0.179 4.153 4.320 0.019 0.000 0.217 293 A C 2.354 180.036 177.584 0.163 0.000 1.186 293 A CA 1.435 53.515 52.037 0.073 0.000 0.624 293 A CB -0.718 18.195 19.000 -0.145 0.000 0.822 293 A HN 0.296 nan 8.150 nan 0.000 0.444 294 L N -1.698 119.601 121.223 0.127 0.000 2.083 294 L HA -0.120 4.231 4.340 0.019 0.000 0.209 294 L C 2.275 179.201 176.870 0.093 0.000 1.083 294 L CA 2.273 57.193 54.840 0.133 0.000 0.752 294 L CB -0.900 41.238 42.059 0.131 0.000 0.899 294 L HN 0.540 nan 8.230 nan 0.000 0.433 295 Y N -0.553 119.707 120.300 -0.067 0.000 2.114 295 Y HA -0.289 4.272 4.550 0.019 0.000 0.284 295 Y C 2.682 178.443 175.900 -0.233 0.000 1.143 295 Y CA 2.262 60.267 58.100 -0.159 0.000 1.135 295 Y CB -0.317 37.950 38.460 -0.321 0.000 0.980 295 Y HN 0.349 nan 8.280 nan 0.000 0.499 296 H N -1.466 117.521 119.070 -0.138 0.000 2.428 296 H HA 0.004 4.572 4.556 0.020 0.000 0.296 296 H C -0.139 174.731 175.328 -0.763 0.000 1.062 296 H CA 1.157 56.873 56.048 -0.555 0.000 1.350 296 H CB -0.272 28.998 29.762 -0.819 0.000 1.403 296 H HN 0.266 nan 8.280 nan 0.000 0.533 297 F N 1.357 121.375 119.950 0.114 0.000 2.531 297 F HA 0.279 4.817 4.527 0.020 0.000 0.333 297 F C -1.674 174.180 175.800 0.090 0.000 1.292 297 F CA -2.704 55.358 58.000 0.104 0.000 1.184 297 F CB 1.270 40.287 39.000 0.028 0.000 1.426 297 F HN -0.085 nan 8.300 nan 0.000 0.559 298 P HA -0.209 nan 4.420 nan 0.000 0.218 298 P C 1.560 178.971 177.300 0.185 0.000 1.146 298 P CA 1.566 64.745 63.100 0.132 0.000 0.813 298 P CB 0.092 31.826 31.700 0.057 0.000 0.778 299 S N -0.477 115.375 115.700 0.253 0.000 2.469 299 S HA -0.100 4.381 4.470 0.019 0.000 0.238 299 S C 2.039 176.817 174.600 0.296 0.000 0.998 299 S CA 0.591 58.944 58.200 0.255 0.000 0.957 299 S CB -1.655 61.709 63.200 0.272 0.000 0.764 299 S HN 0.096 nan 8.310 nan 0.000 0.514 300 L N 1.145 122.558 121.223 0.318 0.000 2.081 300 L HA -0.134 4.218 4.340 0.019 0.000 0.212 300 L C 3.091 180.113 176.870 0.253 0.000 1.080 300 L CA 1.296 56.304 54.840 0.281 0.000 0.754 300 L CB -0.812 41.342 42.059 0.158 0.000 0.893 300 L HN 0.500 nan 8.230 nan 0.000 0.433 301 A N -0.638 122.301 122.820 0.198 0.000 2.070 301 A HA -0.193 4.138 4.320 0.019 0.000 0.220 301 A C 1.728 179.401 177.584 0.148 0.000 1.159 301 A CA 1.655 53.791 52.037 0.166 0.000 0.656 301 A CB -0.357 18.719 19.000 0.127 0.000 0.800 301 A HN 0.395 nan 8.150 nan 0.000 0.453 302 D N -0.964 119.526 120.400 0.149 0.000 2.355 302 D HA 0.331 4.983 4.640 0.019 0.000 0.218 302 D C 1.158 177.498 176.300 0.067 0.000 1.004 302 D CA 1.283 55.338 54.000 0.091 0.000 0.880 302 D CB 0.383 41.237 40.800 0.089 0.000 0.911 302 D HN 0.575 nan 8.370 nan 0.000 0.528 303 G N 0.527 109.432 108.800 0.175 0.000 2.298 303 G HA2 -0.110 3.861 3.960 0.019 0.000 0.309 303 G HA3 -0.110 3.861 3.960 0.019 0.000 0.309 303 G C -2.732 172.432 174.900 0.439 0.000 1.279 303 G CA -1.190 43.998 45.100 0.147 0.000 1.042 303 G HN -0.177 nan 8.290 nan 0.000 0.480 304 P HA 0.054 nan 4.420 nan 0.000 0.252 304 P C 0.030 177.587 177.300 0.428 0.000 1.147 304 P CA 0.641 64.090 63.100 0.580 0.000 0.779 304 P CB -0.015 32.009 31.700 0.540 0.000 0.733 305 Y N 5.561 126.026 120.300 0.276 0.000 2.176 305 Y HA -0.016 4.545 4.550 0.018 0.000 0.291 305 Y C 1.138 177.139 175.900 0.168 0.000 1.122 305 Y CA 1.201 59.405 58.100 0.172 0.000 1.128 305 Y CB 0.150 38.669 38.460 0.098 0.000 1.005 305 Y HN 0.166 nan 8.280 nan 0.000 0.509 306 R N 0.604 121.293 120.500 0.315 0.000 2.491 306 R HA 0.073 4.425 4.340 0.019 0.000 0.283 306 R C 1.709 178.132 176.300 0.204 0.000 1.072 306 R CA 0.510 56.750 56.100 0.234 0.000 1.048 306 R CB 0.809 31.338 30.300 0.382 0.000 0.983 306 R HN 0.406 nan 8.270 nan 0.000 0.450 307 S N 3.562 119.308 115.700 0.076 0.000 2.372 307 S HA -0.270 4.211 4.470 0.019 0.000 0.227 307 S C 1.842 176.468 174.600 0.043 0.000 1.044 307 S CA 1.499 59.724 58.200 0.043 0.000 1.050 307 S CB -0.408 62.788 63.200 -0.007 0.000 0.901 307 S HN 0.715 nan 8.310 nan 0.000 0.447 308 L N -0.390 120.830 121.223 -0.005 0.000 2.013 308 L HA -0.081 4.270 4.340 0.019 0.000 0.212 308 L C 2.387 179.163 176.870 -0.156 0.000 1.073 308 L CA 1.870 56.615 54.840 -0.158 0.000 0.753 308 L CB -0.422 41.457 42.059 -0.300 0.000 0.890 308 L HN 0.427 nan 8.230 nan 0.000 0.432 309 W N -0.045 121.362 121.300 0.177 0.000 2.595 309 W HA -0.081 4.589 4.660 0.017 0.000 0.257 309 W C 2.513 179.195 176.519 0.273 0.000 1.267 309 W CA 0.421 57.920 57.345 0.256 0.000 1.300 309 W CB -0.091 29.555 29.460 0.310 0.000 1.120 309 W HN 0.268 nan 8.180 nan 0.000 0.618 310 Q N -0.146 119.853 119.800 0.333 0.000 2.369 310 Q HA -0.131 4.221 4.340 0.019 0.000 0.206 310 Q C 1.625 177.722 176.000 0.162 0.000 0.963 310 Q CA 0.916 56.861 55.803 0.237 0.000 0.894 310 Q CB -0.051 28.771 28.738 0.140 0.000 0.965 310 Q HN 0.483 nan 8.270 nan 0.000 0.475 311 Q N -0.941 118.919 119.800 0.100 0.000 2.246 311 Q HA 0.110 4.462 4.340 0.019 0.000 0.222 311 Q C -0.424 175.532 176.000 -0.073 0.000 0.851 311 Q CA -0.460 55.343 55.803 -0.000 0.000 0.945 311 Q CB 0.509 29.206 28.738 -0.069 0.000 1.122 311 Q HN 0.174 nan 8.270 nan 0.000 0.508 312 F N 5.093 124.921 119.950 -0.203 0.000 2.604 312 F HA -0.017 4.521 4.527 0.019 0.000 0.393 312 F C -1.764 173.720 175.800 -0.526 0.000 1.043 312 F CA -1.634 56.081 58.000 -0.475 0.000 1.227 312 F CB 0.781 39.401 39.000 -0.632 0.000 1.016 312 F HN -0.040 nan 8.300 nan 0.000 0.556 313 P HA 0.002 nan 4.420 nan 0.000 0.238 313 P C -1.178 175.822 177.300 -0.499 0.000 1.794 313 P CA -0.189 62.539 63.100 -0.620 0.000 1.088 313 P CB -0.526 30.828 31.700 -0.576 0.000 1.923 314 W N 1.341 122.652 121.300 0.019 0.000 2.223 314 W HA 0.098 4.769 4.660 0.019 0.000 0.334 314 W C 1.877 178.409 176.519 0.023 0.000 1.334 314 W CA -0.125 57.306 57.345 0.143 0.000 1.246 314 W CB 0.475 30.021 29.460 0.144 0.000 1.184 314 W HN 0.415 nan 8.180 nan 0.000 0.563 315 E N 2.142 122.508 120.200 0.275 0.000 2.072 315 E HA -0.296 4.065 4.350 0.019 0.000 0.191 315 E C 0.447 177.121 176.600 0.122 0.000 0.985 315 E CA 1.188 57.672 56.400 0.139 0.000 0.801 315 E CB -0.079 29.698 29.700 0.129 0.000 0.750 315 E HN 0.523 nan 8.360 nan 0.000 0.452 316 N N 1.244 120.029 118.700 0.143 0.000 2.725 316 N HA -0.194 4.557 4.740 0.019 0.000 0.251 316 N C -1.137 174.397 175.510 0.040 0.000 1.031 316 N CA 0.814 53.894 53.050 0.050 0.000 0.720 316 N CB -1.382 37.114 38.487 0.015 0.000 0.930 316 N HN 0.264 nan 8.380 nan 0.000 0.543 317 R N 0.780 121.320 120.500 0.067 0.000 2.288 317 R HA 0.008 4.360 4.340 0.019 0.000 0.330 317 R C 1.369 177.725 176.300 0.094 0.000 1.069 317 R CA -0.294 55.849 56.100 0.070 0.000 0.941 317 R CB 0.665 31.011 30.300 0.076 0.000 0.998 317 R HN 0.155 nan 8.270 nan 0.000 0.452 318 E N 3.428 123.680 120.200 0.086 0.000 2.130 318 E HA -0.237 4.124 4.350 0.019 0.000 0.196 318 E C 1.669 178.365 176.600 0.160 0.000 0.998 318 E CA 2.119 58.597 56.400 0.130 0.000 0.806 318 E CB 0.049 29.806 29.700 0.096 0.000 0.738 318 E HN 0.722 nan 8.360 nan 0.000 0.459 319 A N 0.161 123.049 122.820 0.114 0.000 1.940 319 A HA -0.163 4.168 4.320 0.019 0.000 0.219 319 A C 2.291 179.946 177.584 0.118 0.000 1.176 319 A CA 1.507 53.605 52.037 0.101 0.000 0.631 319 A CB -0.671 18.377 19.000 0.080 0.000 0.814 319 A HN 0.332 nan 8.150 nan 0.000 0.446 320 L N -2.276 119.028 121.223 0.136 0.000 2.056 320 L HA -0.119 4.232 4.340 0.019 0.000 0.207 320 L C 2.492 179.481 176.870 0.199 0.000 1.078 320 L CA 1.447 56.380 54.840 0.156 0.000 0.749 320 L CB -0.595 41.542 42.059 0.129 0.000 0.901 320 L HN 0.481 nan 8.230 nan 0.000 0.433 321 F N 1.160 121.141 119.950 0.053 0.000 2.134 321 F HA -0.216 4.322 4.527 0.019 0.000 0.299 321 F C 2.475 178.344 175.800 0.114 0.000 1.097 321 F CA 1.951 59.980 58.000 0.048 0.000 1.264 321 F CB -0.581 38.401 39.000 -0.030 0.000 1.001 321 F HN -0.061 nan 8.300 nan 0.000 0.479 322 T N 0.756 115.300 114.554 -0.017 0.000 2.684 322 T HA -0.213 4.149 4.350 0.019 0.000 0.267 322 T C 2.244 176.878 174.700 -0.111 0.000 1.036 322 T CA 1.635 63.667 62.100 -0.114 0.000 1.148 322 T CB -0.952 67.930 68.868 0.022 0.000 0.863 322 T HN 0.370 nan 8.240 nan 0.000 0.436 323 A N 0.377 123.201 122.820 0.007 0.000 1.908 323 A HA -0.142 4.190 4.320 0.019 0.000 0.218 323 A C 2.050 179.661 177.584 0.045 0.000 1.181 323 A CA 1.742 53.803 52.037 0.040 0.000 0.627 323 A CB -1.164 17.901 19.000 0.109 0.000 0.818 323 A HN 0.718 nan 8.150 nan 0.000 0.445 324 W N 1.558 122.775 121.300 -0.140 0.000 2.354 324 W HA -0.227 4.444 4.660 0.019 0.000 0.315 324 W C 2.657 178.984 176.519 -0.320 0.000 1.206 324 W CA 3.136 60.398 57.345 -0.139 0.000 1.290 324 W CB -0.608 28.799 29.460 -0.089 0.000 1.152 324 W HN 0.414 nan 8.180 nan 0.000 0.489 325 T N -1.309 112.931 114.554 -0.523 0.000 2.881 325 T HA -0.222 4.140 4.350 0.019 0.000 0.270 325 T C 1.388 175.830 174.700 -0.431 0.000 1.068 325 T CA 1.644 63.180 62.100 -0.940 0.000 1.131 325 T CB -0.462 67.702 68.868 -1.174 0.000 0.871 325 T HN 0.419 nan 8.240 nan 0.000 0.479 326 Q N 0.681 120.329 119.800 -0.253 0.000 2.246 326 Q HA 0.597 4.949 4.340 0.019 0.000 0.202 326 Q C 0.956 176.900 176.000 -0.093 0.000 0.883 326 Q CA 0.129 55.863 55.803 -0.116 0.000 0.952 326 Q CB 0.240 28.942 28.738 -0.059 0.000 1.078 326 Q HN 0.665 nan 8.270 nan 0.000 0.493 327 A N 1.475 124.204 122.820 -0.151 0.000 2.739 327 A HA -0.195 4.137 4.320 0.019 0.000 0.296 327 A C 0.371 177.944 177.584 -0.018 0.000 1.488 327 A CA 0.740 52.721 52.037 -0.092 0.000 0.746 327 A CB -1.148 17.819 19.000 -0.055 0.000 1.047 327 A HN 0.378 nan 8.150 nan 0.000 0.477 328 Q N -0.703 119.080 119.800 -0.029 0.000 2.217 328 Q HA 0.146 4.497 4.340 0.019 0.000 0.340 328 Q C 1.371 177.358 176.000 -0.021 0.000 0.893 328 Q CA 0.658 56.429 55.803 -0.052 0.000 1.142 328 Q CB 0.079 28.793 28.738 -0.040 0.000 1.288 328 Q HN 1.086 nan 8.270 nan 0.000 0.426 329 T N -4.130 110.452 114.554 0.045 0.000 3.043 329 T HA 0.143 4.505 4.350 0.019 0.000 0.263 329 T C 1.428 176.251 174.700 0.205 0.000 1.094 329 T CA 1.038 63.255 62.100 0.195 0.000 1.127 329 T CB 0.242 69.251 68.868 0.235 0.000 0.905 329 T HN 0.450 nan 8.240 nan 0.000 0.490 330 G N 0.335 109.119 108.800 -0.026 0.000 2.176 330 G HA2 -0.229 3.743 3.960 0.019 0.000 0.253 330 G HA3 -0.229 3.743 3.960 0.019 0.000 0.253 330 G C -0.221 174.728 174.900 0.082 0.000 0.979 330 G CA 0.032 45.052 45.100 -0.134 0.000 0.641 330 G HN 0.605 nan 8.290 nan 0.000 0.530 331 Y N 0.435 120.783 120.300 0.080 0.000 2.491 331 Y HA 0.456 5.018 4.550 0.019 0.000 0.334 331 Y C -0.976 174.972 175.900 0.080 0.000 0.969 331 Y CA -2.018 56.102 58.100 0.034 0.000 1.241 331 Y CB 1.755 40.087 38.460 -0.213 0.000 1.105 331 Y HN -0.029 nan 8.280 nan 0.000 0.503 332 P HA -0.283 nan 4.420 nan 0.000 0.215 332 P C 1.843 179.216 177.300 0.122 0.000 1.163 332 P CA 1.485 64.661 63.100 0.125 0.000 0.894 332 P CB 0.334 32.035 31.700 0.002 0.000 0.791 333 I N -1.018 119.632 120.570 0.133 0.000 2.286 333 I HA -0.183 3.998 4.170 0.019 0.000 0.248 333 I C 1.927 178.121 176.117 0.129 0.000 1.115 333 I CA 1.561 62.959 61.300 0.163 0.000 1.392 333 I CB -0.694 37.394 38.000 0.147 0.000 1.065 333 I HN -0.229 nan 8.210 nan 0.000 0.418 334 V N 0.691 120.627 119.914 0.037 0.000 2.307 334 V HA -0.238 3.894 4.120 0.019 0.000 0.245 334 V C 2.166 178.236 176.094 -0.040 0.000 1.045 334 V CA 2.094 64.355 62.300 -0.065 0.000 1.024 334 V CB -0.895 30.711 31.823 -0.362 0.000 0.651 334 V HN 0.376 nan 8.190 nan 0.000 0.449 335 D N 0.488 120.901 120.400 0.021 0.000 2.144 335 D HA -0.103 4.549 4.640 0.019 0.000 0.199 335 D C 2.214 178.531 176.300 0.029 0.000 0.984 335 D CA 1.556 55.577 54.000 0.036 0.000 0.834 335 D CB -0.264 40.642 40.800 0.177 0.000 0.955 335 D HN 0.434 nan 8.370 nan 0.000 0.465 336 A N 1.178 124.038 122.820 0.067 0.000 1.902 336 A HA -0.056 4.276 4.320 0.019 0.000 0.217 336 A C 2.339 179.890 177.584 -0.055 0.000 1.181 336 A CA 2.187 54.251 52.037 0.045 0.000 0.623 336 A CB -0.687 18.346 19.000 0.054 0.000 0.818 336 A HN 0.236 nan 8.150 nan 0.000 0.443 337 A N -0.889 121.972 122.820 0.069 0.000 1.902 337 A HA -0.113 4.219 4.320 0.019 0.000 0.217 337 A C 2.135 179.619 177.584 -0.167 0.000 1.181 337 A CA 1.982 54.029 52.037 0.017 0.000 0.623 337 A CB -0.468 18.568 19.000 0.061 0.000 0.818 337 A HN 0.422 nan 8.150 nan 0.000 0.443 338 M N -0.625 118.870 119.600 -0.175 0.000 2.229 338 M HA -0.039 4.452 4.480 0.019 0.000 0.264 338 M C 2.053 178.224 176.300 -0.216 0.000 1.063 338 M CA 1.081 56.231 55.300 -0.249 0.000 1.114 338 M CB -1.173 31.212 32.600 -0.358 0.000 1.387 338 M HN 0.333 nan 8.290 nan 0.000 0.420 339 R N 0.045 120.442 120.500 -0.173 0.000 2.073 339 R HA -0.115 4.236 4.340 0.019 0.000 0.229 339 R C 2.081 178.208 176.300 -0.288 0.000 1.120 339 R CA 1.113 57.140 56.100 -0.121 0.000 0.967 339 R CB -0.710 29.609 30.300 0.032 0.000 0.862 339 R HN 0.573 nan 8.270 nan 0.000 0.436 340 Q N 0.824 120.230 119.800 -0.657 0.000 2.084 340 Q HA -0.174 4.178 4.340 0.019 0.000 0.202 340 Q C 2.095 177.791 176.000 -0.507 0.000 0.978 340 Q CA 1.393 56.500 55.803 -1.159 0.000 0.844 340 Q CB -0.090 27.827 28.738 -1.369 0.000 0.898 340 Q HN 0.162 nan 8.270 nan 0.000 0.426 341 L N 0.710 121.711 121.223 -0.369 0.000 1.976 341 L HA -0.166 4.186 4.340 0.019 0.000 0.209 341 L C 2.481 179.245 176.870 -0.176 0.000 1.071 341 L CA 2.783 57.455 54.840 -0.281 0.000 0.746 341 L CB -1.164 40.685 42.059 -0.350 0.000 0.890 341 L HN 0.466 nan 8.230 nan 0.000 0.432 342 T N -3.793 110.633 114.554 -0.213 0.000 2.915 342 T HA -0.108 4.254 4.350 0.019 0.000 0.269 342 T C 1.593 176.355 174.700 0.104 0.000 1.071 342 T CA 1.397 63.408 62.100 -0.148 0.000 1.132 342 T CB -0.501 68.233 68.868 -0.223 0.000 0.878 342 T HN 0.562 nan 8.240 nan 0.000 0.479 343 E N 1.037 121.269 120.200 0.052 0.000 2.250 343 E HA 0.013 4.375 4.350 0.019 0.000 0.192 343 E C 2.073 178.771 176.600 0.163 0.000 0.986 343 E CA 1.322 57.780 56.400 0.098 0.000 0.849 343 E CB 0.159 29.926 29.700 0.113 0.000 0.797 343 E HN 0.781 nan 8.360 nan 0.000 0.482 344 T N -3.881 110.803 114.554 0.216 0.000 3.043 344 T HA 0.307 4.668 4.350 0.019 0.000 0.272 344 T C 1.421 176.394 174.700 0.455 0.000 0.990 344 T CA 0.289 62.589 62.100 0.333 0.000 0.897 344 T CB 0.926 69.926 68.868 0.221 0.000 1.111 344 T HN 0.192 nan 8.240 nan 0.000 0.529 345 G N 0.719 109.708 108.800 0.314 0.000 2.168 345 G HA2 -0.244 3.727 3.960 0.019 0.000 0.257 345 G HA3 -0.244 3.727 3.960 0.019 0.000 0.257 345 G C -0.248 174.723 174.900 0.119 0.000 0.997 345 G CA 0.360 45.495 45.100 0.059 0.000 0.708 345 G HN 0.771 nan 8.290 nan 0.000 0.520 346 W N -0.830 120.409 121.300 -0.101 0.000 3.213 346 W HA 0.759 5.431 4.660 0.020 0.000 0.318 346 W C -0.871 175.543 176.519 -0.176 0.000 1.248 346 W CA -1.197 56.074 57.345 -0.124 0.000 1.187 346 W CB 1.170 30.609 29.460 -0.036 0.000 1.403 346 W HN 0.202 nan 8.180 nan 0.000 0.556 347 M N 4.442 123.469 119.600 -0.956 0.000 2.433 347 M HA 0.262 4.753 4.480 0.019 0.000 0.290 347 M C -1.271 174.219 176.300 -1.352 0.000 1.173 347 M CA -0.859 53.945 55.300 -0.826 0.000 0.905 347 M CB 1.779 34.019 32.600 -0.601 0.000 1.692 347 M HN 0.686 nan 8.290 nan 0.000 0.462 348 H N 3.234 121.766 119.070 -0.897 0.000 2.897 348 H HA 0.057 4.624 4.556 0.019 0.000 0.347 348 H C 0.952 175.941 175.328 -0.565 0.000 1.068 348 H CA 1.381 57.014 56.048 -0.690 0.000 1.426 348 H CB 0.774 30.367 29.762 -0.281 0.000 1.410 348 H HN 0.782 nan 8.280 nan 0.000 0.597 349 N N 3.148 121.372 118.700 -0.794 0.000 2.137 349 N HA -0.260 4.491 4.740 0.019 0.000 0.190 349 N C 1.922 177.216 175.510 -0.361 0.000 1.017 349 N CA 1.288 54.010 53.050 -0.546 0.000 0.859 349 N CB 0.013 38.175 38.487 -0.542 0.000 1.002 349 N HN 0.606 nan 8.380 nan 0.000 0.428 350 R N 1.041 121.447 120.500 -0.156 0.000 2.096 350 R HA -0.005 4.346 4.340 0.019 0.000 0.235 350 R C 2.298 178.506 176.300 -0.154 0.000 1.127 350 R CA 1.572 57.552 56.100 -0.200 0.000 0.968 350 R CB -1.124 29.007 30.300 -0.283 0.000 0.861 350 R HN 0.345 nan 8.270 nan 0.000 0.440 351 C N 0.011 119.229 119.300 -0.137 0.000 2.450 351 C HA 0.138 4.609 4.460 0.019 0.000 0.279 351 C C 2.431 177.375 174.990 -0.077 0.000 1.335 351 C CA 0.460 59.408 59.018 -0.116 0.000 1.749 351 C CB -0.790 26.857 27.740 -0.154 0.000 1.963 351 C HN 0.502 nan 8.230 nan 0.000 0.501 352 R N 0.516 120.928 120.500 -0.147 0.000 2.096 352 R HA -0.091 4.261 4.340 0.019 0.000 0.235 352 R C 2.201 178.382 176.300 -0.197 0.000 1.127 352 R CA 1.341 57.403 56.100 -0.063 0.000 0.968 352 R CB -0.319 29.901 30.300 -0.134 0.000 0.861 352 R HN 0.568 nan 8.270 nan 0.000 0.440 353 M N 0.153 119.594 119.600 -0.265 0.000 2.132 353 M HA -0.135 4.357 4.480 0.019 0.000 0.263 353 M C 2.284 178.442 176.300 -0.236 0.000 1.065 353 M CA 1.619 56.716 55.300 -0.339 0.000 1.122 353 M CB -0.262 32.163 32.600 -0.291 0.000 1.365 353 M HN 0.110 nan 8.290 nan 0.000 0.411 354 I N 0.076 120.644 120.570 -0.004 0.000 2.179 354 I HA -0.240 3.942 4.170 0.019 0.000 0.242 354 I C 2.421 178.616 176.117 0.130 0.000 1.088 354 I CA 1.453 62.839 61.300 0.143 0.000 1.357 354 I CB -0.523 37.571 38.000 0.157 0.000 1.051 354 I HN 0.225 nan 8.210 nan 0.000 0.409 355 V N -1.061 118.944 119.914 0.152 0.000 2.667 355 V HA -0.039 4.093 4.120 0.019 0.000 0.252 355 V C 2.439 178.769 176.094 0.394 0.000 1.065 355 V CA 1.400 63.930 62.300 0.383 0.000 1.083 355 V CB -0.992 31.101 31.823 0.450 0.000 0.692 355 V HN 0.306 nan 8.190 nan 0.000 0.468 356 A N 0.438 123.220 122.820 -0.063 0.000 1.897 356 A HA -0.112 4.219 4.320 0.019 0.000 0.215 356 A C 2.544 179.987 177.584 -0.235 0.000 1.181 356 A CA 1.957 53.699 52.037 -0.492 0.000 0.620 356 A CB -0.947 17.314 19.000 -1.233 0.000 0.821 356 A HN 0.596 nan 8.150 nan 0.000 0.443 357 S N -1.525 114.027 115.700 -0.246 0.000 2.382 357 S HA -0.150 4.331 4.470 0.019 0.000 0.228 357 S C 1.750 176.313 174.600 -0.062 0.000 1.027 357 S CA 1.548 59.603 58.200 -0.242 0.000 0.991 357 S CB -0.524 62.458 63.200 -0.363 0.000 0.823 357 S HN 0.524 nan 8.310 nan 0.000 0.469 358 F N 1.622 121.537 119.950 -0.059 0.000 2.102 358 F HA 0.011 4.549 4.527 0.019 0.000 0.298 358 F C 1.867 177.631 175.800 -0.059 0.000 1.105 358 F CA 1.419 59.407 58.000 -0.021 0.000 1.239 358 F CB -0.557 38.479 39.000 0.060 0.000 0.991 358 F HN 0.290 nan 8.300 nan 0.000 0.474 359 L N 0.258 121.471 121.223 -0.017 0.000 2.017 359 L HA -0.168 4.183 4.340 0.019 0.000 0.208 359 L C 2.625 179.378 176.870 -0.196 0.000 1.073 359 L CA 2.664 57.302 54.840 -0.336 0.000 0.745 359 L CB -1.318 40.325 42.059 -0.692 0.000 0.894 359 L HN 0.423 nan 8.230 nan 0.000 0.432 360 T N -3.842 110.663 114.554 -0.082 0.000 2.851 360 T HA -0.072 4.290 4.350 0.019 0.000 0.262 360 T C 1.863 176.610 174.700 0.079 0.000 1.043 360 T CA 0.812 62.953 62.100 0.069 0.000 1.140 360 T CB -0.207 68.699 68.868 0.064 0.000 0.872 360 T HN 0.187 nan 8.240 nan 0.000 0.446 361 K N 1.289 121.542 120.400 -0.244 0.000 2.099 361 K HA 0.162 4.494 4.320 0.019 0.000 0.203 361 K C 1.931 178.396 176.600 -0.225 0.000 1.047 361 K CA 1.284 57.264 56.287 -0.511 0.000 0.963 361 K CB -0.534 31.627 32.500 -0.566 0.000 0.759 361 K HN 0.419 nan 8.250 nan 0.000 0.451 362 D N 0.880 121.093 120.400 -0.312 0.000 2.149 362 D HA 0.021 4.673 4.640 0.019 0.000 0.206 362 D C 1.824 177.928 176.300 -0.327 0.000 0.967 362 D CA 0.697 54.453 54.000 -0.406 0.000 0.848 362 D CB 0.107 40.312 40.800 -0.992 0.000 0.998 362 D HN -0.017 nan 8.370 nan 0.000 0.474 363 L N 0.357 121.362 121.223 -0.363 0.000 2.446 363 L HA 0.223 4.574 4.340 0.019 0.000 0.219 363 L C 0.246 177.146 176.870 0.050 0.000 1.116 363 L CA 0.006 54.755 54.840 -0.152 0.000 0.844 363 L CB -0.028 41.932 42.059 -0.166 0.000 0.970 363 L HN 0.084 nan 8.230 nan 0.000 0.457 364 I N 0.917 121.588 120.570 0.169 0.000 6.833 364 I HA -0.274 3.908 4.170 0.019 0.000 0.126 364 I C -0.360 176.047 176.117 0.483 0.000 1.810 364 I CA 0.538 62.124 61.300 0.477 0.000 2.119 364 I CB -1.713 36.547 38.000 0.434 0.000 3.512 364 I HN 0.167 nan 8.210 nan 0.000 0.194 365 I N 1.366 122.079 120.570 0.238 0.000 2.441 365 I HA 0.263 4.445 4.170 0.019 0.000 0.295 365 I C 0.781 176.587 176.117 -0.519 0.000 0.994 365 I CA -0.636 60.640 61.300 -0.040 0.000 1.144 365 I CB 1.488 39.390 38.000 -0.163 0.000 1.314 365 I HN 0.088 nan 8.210 nan 0.000 0.445 366 D N 6.977 126.848 120.400 -0.882 0.000 2.662 366 D HA -0.150 4.502 4.640 0.019 0.000 0.233 366 D C 1.173 176.759 176.300 -1.190 0.000 1.129 366 D CA 0.250 53.200 54.000 -1.749 0.000 0.851 366 D CB 0.673 40.794 40.800 -1.132 0.000 1.152 366 D HN 0.571 nan 8.370 nan 0.000 0.507 367 W N 4.820 125.465 121.300 -1.091 0.000 2.387 367 W HA -0.141 4.531 4.660 0.020 0.000 0.272 367 W C 1.239 177.307 176.519 -0.752 0.000 1.224 367 W CA -0.194 56.741 57.345 -0.683 0.000 1.210 367 W CB -0.681 28.611 29.460 -0.279 0.000 1.125 367 W HN 0.386 nan 8.180 nan 0.000 0.572 368 R N 0.460 120.360 120.500 -1.000 0.000 2.152 368 R HA -0.093 4.258 4.340 0.019 0.000 0.232 368 R C 2.409 178.347 176.300 -0.602 0.000 1.117 368 R CA 1.175 56.804 56.100 -0.785 0.000 0.981 368 R CB -0.249 29.543 30.300 -0.847 0.000 0.870 368 R HN -0.003 nan 8.270 nan 0.000 0.451 369 R N -0.295 119.796 120.500 -0.681 0.000 2.092 369 R HA -0.017 4.335 4.340 0.019 0.000 0.231 369 R C 2.227 178.272 176.300 -0.426 0.000 1.119 369 R CA 1.451 57.163 56.100 -0.646 0.000 0.970 369 R CB -0.838 28.820 30.300 -1.070 0.000 0.864 369 R HN 0.348 nan 8.270 nan 0.000 0.440 370 G N 0.837 109.194 108.800 -0.738 0.000 2.394 370 G HA2 -0.254 3.717 3.960 0.019 0.000 0.215 370 G HA3 -0.254 3.717 3.960 0.019 0.000 0.215 370 G C 1.378 175.584 174.900 -1.157 0.000 1.165 370 G CA 0.472 44.996 45.100 -0.960 0.000 0.784 370 G HN 0.412 nan 8.290 nan 0.000 0.535 371 E N 0.134 119.411 120.200 -1.537 0.000 2.085 371 E HA -0.274 4.088 4.350 0.019 0.000 0.194 371 E C 2.330 178.795 176.600 -0.225 0.000 0.994 371 E CA 1.510 57.310 56.400 -1.000 0.000 0.801 371 E CB -0.222 29.211 29.700 -0.446 0.000 0.743 371 E HN 0.622 nan 8.360 nan 0.000 0.453 372 Q N -0.559 119.151 119.800 -0.151 0.000 2.079 372 Q HA -0.189 4.162 4.340 0.019 0.000 0.200 372 Q C 2.061 178.192 176.000 0.220 0.000 0.974 372 Q CA 1.546 57.368 55.803 0.033 0.000 0.840 372 Q CB -0.267 28.473 28.738 0.003 0.000 0.898 372 Q HN 0.367 nan 8.270 nan 0.000 0.430 373 F N 0.073 120.159 119.950 0.227 0.000 2.171 373 F HA -0.200 4.339 4.527 0.019 0.000 0.300 373 F C 1.562 177.687 175.800 0.541 0.000 1.090 373 F CA 1.105 59.371 58.000 0.443 0.000 1.293 373 F CB -0.226 39.169 39.000 0.658 0.000 1.013 373 F HN 0.116 nan 8.300 nan 0.000 0.486 374 F N -0.009 120.142 119.950 0.335 0.000 2.102 374 F HA -0.253 4.286 4.527 0.019 0.000 0.298 374 F C 2.349 178.189 175.800 0.066 0.000 1.105 374 F CA 1.235 59.381 58.000 0.244 0.000 1.239 374 F CB -0.971 38.301 39.000 0.452 0.000 0.991 374 F HN -0.040 nan 8.300 nan 0.000 0.474 375 M N -0.614 119.128 119.600 0.237 0.000 2.279 375 M HA -0.192 4.300 4.480 0.019 0.000 0.264 375 M C 1.794 178.068 176.300 -0.043 0.000 1.062 375 M CA 1.313 56.660 55.300 0.078 0.000 1.099 375 M CB -1.388 31.252 32.600 0.065 0.000 1.394 375 M HN 0.272 nan 8.290 nan 0.000 0.426 376 Q N -1.364 118.372 119.800 -0.106 0.000 2.472 376 Q HA -0.077 4.275 4.340 0.019 0.000 0.208 376 Q C 1.186 176.782 176.000 -0.674 0.000 0.958 376 Q CA 0.643 56.251 55.803 -0.325 0.000 0.932 376 Q CB 0.273 28.817 28.738 -0.323 0.000 1.007 376 Q HN 0.621 nan 8.270 nan 0.000 0.508 377 H N -1.783 117.124 119.070 -0.271 0.000 3.436 377 H HA 0.192 4.760 4.556 0.019 0.000 0.244 377 H C 0.036 175.193 175.328 -0.285 0.000 1.009 377 H CA -0.132 55.732 56.048 -0.308 0.000 1.129 377 H CB 0.819 30.333 29.762 -0.414 0.000 1.473 377 H HN 0.069 nan 8.280 nan 0.000 0.510 378 L N 2.143 123.283 121.223 -0.139 0.000 2.462 378 L HA -0.015 4.337 4.340 0.019 0.000 0.272 378 L C 1.756 178.561 176.870 -0.107 0.000 1.166 378 L CA 0.004 54.760 54.840 -0.141 0.000 0.880 378 L CB 1.588 43.566 42.059 -0.135 0.000 1.142 378 L HN 0.013 nan 8.230 nan 0.000 0.473 379 V N 2.785 122.657 119.914 -0.071 0.000 2.759 379 V HA -0.180 3.951 4.120 0.019 0.000 0.256 379 V C 1.366 177.460 176.094 -0.001 0.000 1.080 379 V CA 2.193 64.473 62.300 -0.034 0.000 1.101 379 V CB -0.281 31.570 31.823 0.046 0.000 0.698 379 V HN 1.062 nan 8.190 nan 0.000 0.477 380 D N -0.560 119.840 120.400 -0.000 0.000 2.402 380 D HA 0.190 4.841 4.640 0.019 0.000 0.216 380 D C 1.029 177.296 176.300 -0.055 0.000 1.128 380 D CA 0.252 54.236 54.000 -0.027 0.000 0.833 380 D CB -0.499 40.317 40.800 0.026 0.000 0.971 380 D HN 0.345 nan 8.370 nan 0.000 0.503 381 G N 0.658 109.431 108.800 -0.044 0.000 2.138 381 G HA2 0.208 4.179 3.960 0.019 0.000 0.256 381 G HA3 0.208 4.179 3.960 0.019 0.000 0.256 381 G C -0.708 174.162 174.900 -0.051 0.000 1.141 381 G CA 0.046 45.133 45.100 -0.022 0.000 0.967 381 G HN 0.300 nan 8.290 nan 0.000 0.435 382 D N 1.726 122.111 120.400 -0.024 0.000 2.788 382 D HA 0.224 4.875 4.640 0.019 0.000 0.247 382 D C 1.128 177.433 176.300 0.008 0.000 1.236 382 D CA -0.836 53.141 54.000 -0.038 0.000 0.898 382 D CB 1.346 42.117 40.800 -0.050 0.000 1.401 382 D HN 0.116 nan 8.370 nan 0.000 0.549 383 L N 4.642 125.876 121.223 0.020 0.000 1.997 383 L HA -0.124 4.227 4.340 0.019 0.000 0.216 383 L C 1.972 178.870 176.870 0.045 0.000 1.074 383 L CA 2.858 57.727 54.840 0.048 0.000 0.763 383 L CB -0.829 41.265 42.059 0.059 0.000 0.890 383 L HN 0.633 nan 8.230 nan 0.000 0.434 384 A N -0.860 121.989 122.820 0.047 0.000 1.858 384 A HA -0.096 4.236 4.320 0.019 0.000 0.216 384 A C 2.414 179.977 177.584 -0.036 0.000 1.190 384 A CA 2.225 54.294 52.037 0.054 0.000 0.617 384 A CB -1.292 17.772 19.000 0.107 0.000 0.827 384 A HN 0.616 nan 8.150 nan 0.000 0.443 385 A N -0.308 122.484 122.820 -0.048 0.000 1.929 385 A HA -0.143 4.188 4.320 0.019 0.000 0.216 385 A C 1.968 179.404 177.584 -0.246 0.000 1.176 385 A CA 1.982 53.911 52.037 -0.179 0.000 0.628 385 A CB -0.664 18.296 19.000 -0.067 0.000 0.816 385 A HN 0.610 nan 8.150 nan 0.000 0.444 386 N N 0.406 119.068 118.700 -0.063 0.000 2.171 386 N HA -0.154 4.598 4.740 0.019 0.000 0.184 386 N C 1.731 177.303 175.510 0.103 0.000 1.021 386 N CA 1.618 54.716 53.050 0.080 0.000 0.854 386 N CB -0.374 38.235 38.487 0.203 0.000 0.994 386 N HN 0.524 nan 8.380 nan 0.000 0.426 387 N N -0.142 118.578 118.700 0.035 0.000 2.120 387 N HA -0.104 4.647 4.740 0.019 0.000 0.188 387 N C 1.731 177.132 175.510 -0.181 0.000 1.024 387 N CA 1.392 54.460 53.050 0.030 0.000 0.852 387 N CB -0.438 38.094 38.487 0.075 0.000 1.003 387 N HN 0.368 nan 8.380 nan 0.000 0.424 388 G N 0.049 108.626 108.800 -0.372 0.000 2.446 388 G HA2 -0.195 3.777 3.960 0.019 0.000 0.217 388 G HA3 -0.195 3.777 3.960 0.019 0.000 0.217 388 G C 1.542 176.068 174.900 -0.623 0.000 1.168 388 G CA 1.107 45.777 45.100 -0.717 0.000 0.771 388 G HN 0.464 nan 8.290 nan 0.000 0.551 389 G N -0.224 108.196 108.800 -0.632 0.000 2.418 389 G HA2 -0.194 3.778 3.960 0.019 0.000 0.217 389 G HA3 -0.194 3.778 3.960 0.019 0.000 0.217 389 G C 1.604 176.185 174.900 -0.531 0.000 1.158 389 G CA 0.765 45.538 45.100 -0.544 0.000 0.771 389 G HN 0.501 nan 8.290 nan 0.000 0.545 390 W N 0.767 121.804 121.300 -0.439 0.000 2.436 390 W HA 0.080 4.752 4.660 0.020 0.000 0.284 390 W C 3.010 178.929 176.519 -1.000 0.000 1.225 390 W CA 0.843 57.836 57.345 -0.586 0.000 1.271 390 W CB 0.110 29.309 29.460 -0.435 0.000 1.114 390 W HN 0.190 nan 8.180 nan 0.000 0.559 391 Q N -1.505 117.807 119.800 -0.813 0.000 2.172 391 Q HA -0.211 4.140 4.340 0.019 0.000 0.200 391 Q C 1.873 177.545 176.000 -0.548 0.000 0.964 391 Q CA 1.342 56.603 55.803 -0.904 0.000 0.855 391 Q CB -0.808 27.616 28.738 -0.523 0.000 0.918 391 Q HN 0.471 nan 8.270 nan 0.000 0.444 392 W N 1.883 122.877 121.300 -0.510 0.000 2.358 392 W HA -0.214 4.457 4.660 0.019 0.000 0.303 392 W C 2.574 178.797 176.519 -0.493 0.000 1.208 392 W CA 2.169 59.273 57.345 -0.403 0.000 1.274 392 W CB -0.119 29.122 29.460 -0.364 0.000 1.138 392 W HN 0.157 nan 8.180 nan 0.000 0.515 393 S N -0.185 115.319 115.700 -0.326 0.000 2.442 393 S HA -0.072 4.410 4.470 0.019 0.000 0.236 393 S C 1.575 175.845 174.600 -0.551 0.000 1.007 393 S CA 1.215 59.152 58.200 -0.437 0.000 0.965 393 S CB -0.461 62.460 63.200 -0.466 0.000 0.773 393 S HN 0.241 nan 8.310 nan 0.000 0.504 394 A N 0.737 123.163 122.820 -0.656 0.000 2.469 394 A HA 0.578 4.909 4.320 0.019 0.000 0.245 394 A C 1.095 178.057 177.584 -1.036 0.000 1.221 394 A CA 0.524 52.089 52.037 -0.785 0.000 0.946 394 A CB -0.368 18.234 19.000 -0.664 0.000 1.049 394 A HN 1.426 nan 8.150 nan 0.000 0.529 395 S N -0.279 114.943 115.700 -0.796 0.000 3.549 395 S HA -0.232 4.250 4.470 0.019 0.000 0.366 395 S C 0.716 174.968 174.600 -0.579 0.000 1.012 395 S CA 1.086 58.922 58.200 -0.607 0.000 1.141 395 S CB -2.737 60.193 63.200 -0.450 0.000 0.910 395 S HN 1.764 nan 8.310 nan 0.000 0.471 396 S N -1.493 113.815 115.700 -0.654 0.000 2.539 396 S HA 0.599 5.081 4.470 0.019 0.000 0.221 396 S C 1.078 175.682 174.600 0.007 0.000 0.987 396 S CA 0.183 58.121 58.200 -0.437 0.000 0.929 396 S CB 0.748 63.704 63.200 -0.408 0.000 0.832 396 S HN 1.226 nan 8.310 nan 0.000 0.492 397 G N 1.431 110.201 108.800 -0.049 0.000 3.407 397 G HA2 0.626 4.598 3.960 0.019 0.000 0.187 397 G HA3 0.626 4.598 3.960 0.019 0.000 0.187 397 G C -0.373 174.550 174.900 0.040 0.000 1.262 397 G CA -0.804 44.322 45.100 0.043 0.000 0.808 397 G HN 0.280 nan 8.290 nan 0.000 0.687 398 M N 0.362 119.984 119.600 0.036 0.000 2.198 398 M HA 0.330 4.822 4.480 0.019 0.000 0.315 398 M C 0.309 176.770 176.300 0.268 0.000 1.134 398 M CA 0.388 55.764 55.300 0.127 0.000 1.171 398 M CB 0.458 33.158 32.600 0.167 0.000 1.413 398 M HN 0.586 nan 8.290 nan 0.000 0.467 399 D N 0.663 121.255 120.400 0.320 0.000 2.704 399 D HA -0.141 4.510 4.640 0.019 0.000 0.232 399 D C -2.326 174.073 176.300 0.164 0.000 1.183 399 D CA 0.048 54.211 54.000 0.271 0.000 0.647 399 D CB -0.624 40.372 40.800 0.326 0.000 1.013 399 D HN 0.237 nan 8.370 nan 0.000 0.415 400 P HA 0.257 nan 4.420 nan 0.000 0.274 400 P C -0.341 176.970 177.300 0.019 0.000 1.264 400 P CA 0.090 63.213 63.100 0.039 0.000 0.795 400 P CB 0.521 32.281 31.700 0.101 0.000 1.064 401 K N -3.083 117.306 120.400 -0.018 0.000 3.533 401 K HA 0.281 4.613 4.320 0.019 0.000 0.377 401 K C -3.085 173.496 176.600 -0.032 0.000 1.081 401 K CA -1.416 54.864 56.287 -0.011 0.000 0.823 401 K CB -0.890 31.595 32.500 -0.026 0.000 1.496 401 K HN 0.123 nan 8.250 nan 0.000 0.480 402 P HA -0.089 nan 4.420 nan 0.000 0.269 402 P C -0.283 176.967 177.300 -0.084 0.000 1.200 402 P CA -0.317 62.780 63.100 -0.005 0.000 0.779 402 P CB 0.240 31.948 31.700 0.014 0.000 0.841 403 L N 2.691 123.866 121.223 -0.080 0.000 2.638 403 L HA -0.031 4.321 4.340 0.019 0.000 0.273 403 L C 0.999 177.786 176.870 -0.138 0.000 1.147 403 L CA 0.791 55.539 54.840 -0.154 0.000 0.941 403 L CB -0.740 41.228 42.059 -0.152 0.000 1.251 403 L HN 0.221 nan 8.230 nan 0.000 0.479 404 R N 5.965 126.325 120.500 -0.233 0.000 2.608 404 R HA 0.330 4.682 4.340 0.019 0.000 0.277 404 R C -0.591 175.640 176.300 -0.114 0.000 1.341 404 R CA -0.028 55.971 56.100 -0.169 0.000 1.199 404 R CB -0.051 30.023 30.300 -0.377 0.000 1.156 404 R HN 0.532 nan 8.270 nan 0.000 0.558 405 I N 3.968 124.540 120.570 0.003 0.000 2.310 405 I HA 0.170 4.352 4.170 0.019 0.000 0.287 405 I C -0.105 176.189 176.117 0.295 0.000 1.073 405 I CA -0.712 60.614 61.300 0.043 0.000 1.216 405 I CB 0.251 38.236 38.000 -0.025 0.000 1.415 405 I HN 0.259 nan 8.210 nan 0.000 0.480 406 F N 4.563 124.530 119.950 0.029 0.000 2.553 406 F HA 0.060 4.598 4.527 0.018 0.000 0.356 406 F C 1.034 176.881 175.800 0.078 0.000 1.142 406 F CA -0.181 57.857 58.000 0.064 0.000 1.322 406 F CB 0.126 39.157 39.000 0.053 0.000 1.126 406 F HN 0.443 nan 8.300 nan 0.000 0.599 407 N N 4.722 123.502 118.700 0.132 0.000 2.469 407 N HA 0.259 5.010 4.740 0.019 0.000 0.253 407 N C -2.151 173.318 175.510 -0.069 0.000 0.970 407 N CA -2.103 50.890 53.050 -0.095 0.000 0.940 407 N CB 1.741 40.247 38.487 0.031 0.000 1.128 407 N HN 0.083 nan 8.380 nan 0.000 0.503 408 P HA -0.147 nan 4.420 nan 0.000 0.216 408 P C 0.872 178.215 177.300 0.072 0.000 1.157 408 P CA 1.690 64.828 63.100 0.064 0.000 0.880 408 P CB 0.287 32.075 31.700 0.147 0.000 0.791 409 A N -1.084 121.769 122.820 0.055 0.000 1.933 409 A HA -0.179 4.152 4.320 0.019 0.000 0.218 409 A C 2.514 180.108 177.584 0.017 0.000 1.175 409 A CA 2.135 54.202 52.037 0.050 0.000 0.628 409 A CB -1.591 17.442 19.000 0.054 0.000 0.814 409 A HN 0.190 nan 8.150 nan 0.000 0.444 410 S N -1.156 114.542 115.700 -0.004 0.000 2.368 410 S HA -0.158 4.323 4.470 0.019 0.000 0.224 410 S C 2.211 176.768 174.600 -0.071 0.000 1.029 410 S CA 1.379 59.554 58.200 -0.041 0.000 0.988 410 S CB -0.327 62.846 63.200 -0.045 0.000 0.838 410 S HN 0.583 nan 8.310 nan 0.000 0.462 411 Q N 0.786 120.576 119.800 -0.017 0.000 2.050 411 Q HA -0.003 4.348 4.340 0.019 0.000 0.202 411 Q C 2.523 178.589 176.000 0.110 0.000 0.980 411 Q CA 1.506 57.358 55.803 0.081 0.000 0.840 411 Q CB -0.862 27.958 28.738 0.138 0.000 0.898 411 Q HN 0.635 nan 8.270 nan 0.000 0.424 412 A N 1.433 124.303 122.820 0.083 0.000 1.877 412 A HA -0.217 4.115 4.320 0.019 0.000 0.216 412 A C 2.148 179.753 177.584 0.034 0.000 1.186 412 A CA 1.853 53.942 52.037 0.087 0.000 0.620 412 A CB -0.466 18.584 19.000 0.084 0.000 0.822 412 A HN 0.291 nan 8.150 nan 0.000 0.443 413 K N -0.320 120.070 120.400 -0.016 0.000 2.097 413 K HA -0.145 4.186 4.320 0.019 0.000 0.206 413 K C 2.057 178.585 176.600 -0.120 0.000 1.049 413 K CA 1.686 57.943 56.287 -0.050 0.000 0.933 413 K CB -0.135 32.334 32.500 -0.052 0.000 0.717 413 K HN 0.447 nan 8.250 nan 0.000 0.442 414 K N -0.798 119.444 120.400 -0.262 0.000 2.062 414 K HA -0.057 4.274 4.320 0.019 0.000 0.205 414 K C 1.378 177.665 176.600 -0.522 0.000 1.051 414 K CA 1.212 57.167 56.287 -0.553 0.000 0.941 414 K CB 0.099 31.941 32.500 -1.097 0.000 0.719 414 K HN 0.105 nan 8.250 nan 0.000 0.440 415 F N -0.520 119.487 119.950 0.094 0.000 2.678 415 F HA 0.163 4.701 4.527 0.018 0.000 0.305 415 F C 0.194 176.121 175.800 0.212 0.000 1.090 415 F CA -0.269 57.845 58.000 0.191 0.000 1.272 415 F CB 0.621 39.595 39.000 -0.044 0.000 1.060 415 F HN -0.134 nan 8.300 nan 0.000 0.576 416 D N -0.320 120.209 120.400 0.214 0.000 3.256 416 D HA 0.373 5.025 4.640 0.019 0.000 0.332 416 D C 1.293 177.635 176.300 0.070 0.000 1.327 416 D CA 0.200 54.289 54.000 0.148 0.000 0.735 416 D CB 0.209 41.109 40.800 0.167 0.000 1.280 416 D HN 0.024 nan 8.370 nan 0.000 0.572 417 A N -0.305 122.530 122.820 0.024 0.000 2.032 417 A HA -0.155 4.176 4.320 0.019 0.000 0.221 417 A C 1.869 179.443 177.584 -0.017 0.000 1.165 417 A CA 2.183 54.211 52.037 -0.014 0.000 0.645 417 A CB -0.484 18.486 19.000 -0.051 0.000 0.807 417 A HN 0.434 nan 8.150 nan 0.000 0.453 418 T N -5.195 109.346 114.554 -0.022 0.000 3.092 418 T HA 0.529 4.891 4.350 0.019 0.000 0.258 418 T C 0.837 175.518 174.700 -0.031 0.000 1.031 418 T CA 0.911 62.987 62.100 -0.039 0.000 0.925 418 T CB 0.122 68.955 68.868 -0.058 0.000 1.036 418 T HN 1.761 nan 8.240 nan 0.000 0.544 419 A N 0.718 123.544 122.820 0.009 0.000 2.826 419 A HA -0.254 4.078 4.320 0.019 0.000 0.274 419 A C 1.580 179.177 177.584 0.022 0.000 1.443 419 A CA 1.439 53.492 52.037 0.026 0.000 0.833 419 A CB -2.781 16.210 19.000 -0.015 0.000 1.023 419 A HN 0.561 nan 8.150 nan 0.000 0.600 420 T N -1.732 112.842 114.554 0.034 0.000 2.708 420 T HA -0.158 4.203 4.350 0.019 0.000 0.266 420 T C 1.508 176.246 174.700 0.063 0.000 1.037 420 T CA 1.989 64.101 62.100 0.021 0.000 1.146 420 T CB -0.276 68.606 68.868 0.024 0.000 0.865 420 T HN 0.799 nan 8.240 nan 0.000 0.435 421 Y N 1.468 121.792 120.300 0.040 0.000 2.200 421 Y HA -0.026 4.536 4.550 0.020 0.000 0.290 421 Y C 2.027 178.018 175.900 0.153 0.000 1.137 421 Y CA 0.841 59.015 58.100 0.124 0.000 1.163 421 Y CB -0.447 38.107 38.460 0.156 0.000 0.988 421 Y HN 0.154 nan 8.280 nan 0.000 0.518 422 I N 0.325 120.982 120.570 0.145 0.000 2.163 422 I HA -0.337 3.845 4.170 0.019 0.000 0.243 422 I C 2.276 178.346 176.117 -0.078 0.000 1.085 422 I CA 1.733 63.056 61.300 0.037 0.000 1.347 422 I CB -0.398 37.641 38.000 0.063 0.000 1.044 422 I HN 0.186 nan 8.210 nan 0.000 0.408 423 K N 0.195 120.540 120.400 -0.093 0.000 2.148 423 K HA -0.168 4.163 4.320 0.019 0.000 0.204 423 K C 2.228 178.704 176.600 -0.207 0.000 1.050 423 K CA 0.800 57.006 56.287 -0.136 0.000 0.942 423 K CB -0.156 32.272 32.500 -0.119 0.000 0.724 423 K HN 0.246 nan 8.250 nan 0.000 0.446 424 R N 0.124 120.446 120.500 -0.297 0.000 2.081 424 R HA -0.154 4.197 4.340 0.019 0.000 0.235 424 R C 1.224 177.084 176.300 -0.735 0.000 1.131 424 R CA 1.672 57.445 56.100 -0.545 0.000 0.960 424 R CB -0.090 29.803 30.300 -0.678 0.000 0.856 424 R HN 0.261 nan 8.270 nan 0.000 0.436 425 W N -0.090 121.044 121.300 -0.277 0.000 3.197 425 W HA 0.258 4.929 4.660 0.019 0.000 0.274 425 W C 0.114 176.539 176.519 -0.156 0.000 1.297 425 W CA -0.315 56.889 57.345 -0.235 0.000 1.662 425 W CB 0.577 29.828 29.460 -0.348 0.000 1.106 425 W HN -0.050 nan 8.180 nan 0.000 0.663 426 L N 2.621 123.832 121.223 -0.021 0.000 2.732 426 L HA 0.233 4.584 4.340 0.019 0.000 0.246 426 L C -1.301 175.523 176.870 -0.077 0.000 1.407 426 L CA -1.297 53.523 54.840 -0.034 0.000 0.861 426 L CB 0.740 42.751 42.059 -0.080 0.000 1.161 426 L HN -0.270 nan 8.230 nan 0.000 0.510 427 P HA -0.239 nan 4.420 nan 0.000 0.218 427 P C 0.995 178.280 177.300 -0.026 0.000 1.146 427 P CA 1.371 64.428 63.100 -0.072 0.000 0.813 427 P CB 0.229 31.884 31.700 -0.076 0.000 0.778 428 E N 0.297 120.494 120.200 -0.006 0.000 2.418 428 E HA -0.081 4.281 4.350 0.019 0.000 0.197 428 E C 1.509 178.168 176.600 0.098 0.000 1.026 428 E CA 0.603 57.030 56.400 0.045 0.000 0.862 428 E CB -0.694 29.040 29.700 0.056 0.000 0.799 428 E HN 0.371 nan 8.360 nan 0.000 0.518 429 L N 0.395 121.594 121.223 -0.041 0.000 2.857 429 L HA 0.318 4.670 4.340 0.019 0.000 0.249 429 L C 1.900 178.618 176.870 -0.252 0.000 1.172 429 L CA -0.296 54.421 54.840 -0.205 0.000 0.980 429 L CB 0.181 42.025 42.059 -0.359 0.000 1.299 429 L HN -0.097 nan 8.230 nan 0.000 0.535 430 R N 0.060 120.521 120.500 -0.064 0.000 2.241 430 R HA -0.121 4.230 4.340 0.019 0.000 0.224 430 R C 1.921 178.188 176.300 -0.056 0.000 1.101 430 R CA 1.022 57.080 56.100 -0.070 0.000 0.995 430 R CB -0.218 30.062 30.300 -0.033 0.000 0.870 430 R HN 0.573 nan 8.270 nan 0.000 0.463 431 H N -1.291 117.742 119.070 -0.060 0.000 2.551 431 H HA 0.131 4.698 4.556 0.020 0.000 0.266 431 H C 0.429 175.740 175.328 -0.029 0.000 0.964 431 H CA -0.004 56.019 56.048 -0.041 0.000 1.180 431 H CB -0.331 29.413 29.762 -0.030 0.000 1.408 431 H HN -0.132 nan 8.280 nan 0.000 0.563 432 V N 3.091 122.666 119.914 -0.565 0.000 2.649 432 V HA -0.009 4.123 4.120 0.019 0.000 0.292 432 V C 0.822 176.835 176.094 -0.135 0.000 1.055 432 V CA -0.519 61.574 62.300 -0.344 0.000 1.023 432 V CB 1.321 32.908 31.823 -0.393 0.000 0.992 432 V HN 0.487 nan 8.190 nan 0.000 0.480 433 H N 6.669 125.666 119.070 -0.121 0.000 2.764 433 H HA 0.123 4.691 4.556 0.019 0.000 0.341 433 H C -1.792 173.489 175.328 -0.078 0.000 1.072 433 H CA -1.600 54.401 56.048 -0.078 0.000 1.444 433 H CB 1.831 31.562 29.762 -0.052 0.000 1.458 433 H HN 0.367 nan 8.280 nan 0.000 0.572 434 P HA -0.217 nan 4.420 nan 0.000 0.216 434 P C 1.535 178.917 177.300 0.136 0.000 1.154 434 P CA 2.973 66.062 63.100 -0.018 0.000 0.865 434 P CB 0.151 31.778 31.700 -0.121 0.000 0.789 435 K N 0.080 120.708 120.400 0.380 0.000 2.074 435 K HA -0.241 4.091 4.320 0.019 0.000 0.209 435 K C 1.743 178.381 176.600 0.063 0.000 1.048 435 K CA 2.354 58.735 56.287 0.157 0.000 0.926 435 K CB -1.934 30.574 32.500 0.013 0.000 0.713 435 K HN 0.251 nan 8.250 nan 0.000 0.444 436 D N 0.040 120.476 120.400 0.060 0.000 2.234 436 D HA 0.036 4.688 4.640 0.019 0.000 0.205 436 D C 1.951 178.247 176.300 -0.007 0.000 0.962 436 D CA 0.675 54.680 54.000 0.008 0.000 0.855 436 D CB 0.047 40.844 40.800 -0.006 0.000 0.951 436 D HN 0.415 nan 8.370 nan 0.000 0.500 437 L N 0.370 121.587 121.223 -0.010 0.000 2.109 437 L HA -0.044 4.307 4.340 0.019 0.000 0.207 437 L C 2.399 179.270 176.870 0.002 0.000 1.086 437 L CA 0.655 55.473 54.840 -0.037 0.000 0.760 437 L CB -0.140 41.884 42.059 -0.058 0.000 0.910 437 L HN -0.019 nan 8.230 nan 0.000 0.437 438 I N -0.587 119.995 120.570 0.020 0.000 2.333 438 I HA -0.219 3.963 4.170 0.019 0.000 0.246 438 I C 2.731 178.866 176.117 0.030 0.000 1.106 438 I CA 1.383 62.703 61.300 0.033 0.000 1.411 438 I CB -0.177 37.842 38.000 0.032 0.000 1.082 438 I HN 0.288 nan 8.210 nan 0.000 0.420 439 S N 0.340 116.051 115.700 0.019 0.000 2.428 439 S HA 0.041 4.523 4.470 0.019 0.000 0.230 439 S C 1.835 176.434 174.600 -0.002 0.000 1.014 439 S CA 0.750 58.959 58.200 0.015 0.000 0.957 439 S CB 0.056 63.261 63.200 0.008 0.000 0.784 439 S HN 0.607 nan 8.310 nan 0.000 0.499 440 G N 0.869 109.658 108.800 -0.019 0.000 2.176 440 G HA2 -0.230 3.742 3.960 0.019 0.000 0.253 440 G HA3 -0.230 3.742 3.960 0.019 0.000 0.253 440 G C -0.234 174.629 174.900 -0.061 0.000 0.979 440 G CA 0.165 45.225 45.100 -0.067 0.000 0.641 440 G HN 0.621 nan 8.290 nan 0.000 0.530 441 E N 0.619 120.803 120.200 -0.028 0.000 1.986 441 E HA 0.495 4.856 4.350 0.019 0.000 0.264 441 E C 0.180 176.779 176.600 -0.002 0.000 1.023 441 E CA -0.275 56.117 56.400 -0.014 0.000 0.834 441 E CB 0.670 30.367 29.700 -0.006 0.000 1.111 441 E HN 0.487 nan 8.360 nan 0.000 0.417 442 I N 2.131 122.710 120.570 0.015 0.000 2.412 442 I HA 0.132 4.313 4.170 0.019 0.000 0.296 442 I C 0.935 177.075 176.117 0.039 0.000 0.987 442 I CA -0.910 60.404 61.300 0.023 0.000 1.180 442 I CB 1.653 39.679 38.000 0.043 0.000 1.340 442 I HN 0.316 nan 8.210 nan 0.000 0.455 443 T N 2.441 117.015 114.554 0.034 0.000 2.930 443 T HA 0.140 4.501 4.350 0.019 0.000 0.306 443 T C -1.895 172.840 174.700 0.058 0.000 1.045 443 T CA -1.231 60.893 62.100 0.040 0.000 1.134 443 T CB 0.936 69.824 68.868 0.035 0.000 0.961 443 T HN 0.339 nan 8.240 nan 0.000 0.545 444 P HA -0.154 nan 4.420 nan 0.000 0.216 444 P C 1.593 178.933 177.300 0.066 0.000 1.157 444 P CA 1.153 64.288 63.100 0.058 0.000 0.880 444 P CB -0.260 31.465 31.700 0.043 0.000 0.791 445 I N -2.700 117.905 120.570 0.057 0.000 2.493 445 I HA -0.090 4.091 4.170 0.019 0.000 0.254 445 I C 1.769 177.937 176.117 0.085 0.000 1.160 445 I CA 1.580 62.914 61.300 0.057 0.000 1.445 445 I CB -1.302 36.723 38.000 0.042 0.000 1.086 445 I HN -0.094 nan 8.210 nan 0.000 0.433 446 E N 1.495 121.760 120.200 0.109 0.000 2.299 446 E HA -0.051 4.311 4.350 0.019 0.000 0.193 446 E C 1.995 178.746 176.600 0.252 0.000 0.998 446 E CA 0.422 56.935 56.400 0.189 0.000 0.851 446 E CB -0.036 29.740 29.700 0.127 0.000 0.795 446 E HN 0.657 nan 8.360 nan 0.000 0.492 447 R N 0.894 121.498 120.500 0.174 0.000 2.307 447 R HA 0.076 4.428 4.340 0.019 0.000 0.199 447 R C 0.281 176.710 176.300 0.214 0.000 1.000 447 R CA 0.041 56.269 56.100 0.213 0.000 1.023 447 R CB -0.471 29.981 30.300 0.254 0.000 0.908 447 R HN -0.073 nan 8.270 nan 0.000 0.473 448 R N 0.927 121.518 120.500 0.152 0.000 2.828 448 R HA -0.240 4.112 4.340 0.019 0.000 0.233 448 R C 0.761 177.125 176.300 0.107 0.000 0.821 448 R CA 0.423 56.581 56.100 0.096 0.000 0.563 448 R CB -1.773 28.555 30.300 0.046 0.000 1.117 448 R HN 0.788 nan 8.270 nan 0.000 0.508 449 G N -0.568 108.296 108.800 0.106 0.000 2.308 449 G HA2 -0.401 3.571 3.960 0.019 0.000 0.221 449 G HA3 -0.401 3.571 3.960 0.019 0.000 0.221 449 G C 0.044 175.016 174.900 0.120 0.000 1.032 449 G CA 0.096 45.253 45.100 0.094 0.000 0.623 449 G HN 0.516 nan 8.290 nan 0.000 0.506 450 Y N 4.439 124.765 120.300 0.044 0.000 2.717 450 Y HA 0.439 5.001 4.550 0.019 0.000 0.330 450 Y C -1.705 174.218 175.900 0.037 0.000 1.217 450 Y CA -0.964 57.161 58.100 0.040 0.000 1.506 450 Y CB 0.471 38.956 38.460 0.041 0.000 1.268 450 Y HN 0.204 nan 8.280 nan 0.000 0.561 451 P HA 0.183 nan 4.420 nan 0.000 0.269 451 P C -1.198 175.910 177.300 -0.320 0.000 1.215 451 P CA 0.042 62.930 63.100 -0.353 0.000 0.780 451 P CB 0.621 32.119 31.700 -0.337 0.000 0.898 452 A N 3.897 126.648 122.820 -0.115 0.000 2.304 452 A HA 0.495 4.826 4.320 0.019 0.000 0.271 452 A C -2.206 175.355 177.584 -0.038 0.000 1.091 452 A CA -1.643 50.367 52.037 -0.044 0.000 0.812 452 A CB -1.103 17.898 19.000 0.002 0.000 1.056 452 A HN 0.411 nan 8.150 nan 0.000 0.489 453 P HA -0.034 nan 4.420 nan 0.000 0.258 453 P C 0.861 178.267 177.300 0.177 0.000 1.172 453 P CA 0.417 63.539 63.100 0.036 0.000 0.762 453 P CB 0.108 31.751 31.700 -0.095 0.000 0.764 454 I N 2.642 123.384 120.570 0.288 0.000 2.830 454 I HA -0.001 4.181 4.170 0.019 0.000 0.263 454 I C 0.539 176.804 176.117 0.247 0.000 1.230 454 I CA 0.500 61.942 61.300 0.236 0.000 1.480 454 I CB -0.291 37.853 38.000 0.241 0.000 1.095 454 I HN 0.044 nan 8.210 nan 0.000 0.455 455 V N -2.014 118.115 119.914 0.358 0.000 3.216 455 V HA 0.473 4.604 4.120 0.019 0.000 0.302 455 V C -1.077 175.239 176.094 0.369 0.000 1.286 455 V CA -0.934 61.535 62.300 0.281 0.000 1.048 455 V CB 1.624 33.560 31.823 0.187 0.000 1.081 455 V HN 0.279 nan 8.190 nan 0.000 0.442 456 N N 0.366 119.223 118.700 0.262 0.000 2.437 456 N HA 0.253 5.005 4.740 0.019 0.000 0.259 456 N C 0.597 176.282 175.510 0.291 0.000 0.983 456 N CA -0.069 53.146 53.050 0.275 0.000 0.937 456 N CB 1.445 40.032 38.487 0.167 0.000 1.122 456 N HN 1.061 nan 8.380 nan 0.000 0.499 457 H N 4.877 124.139 119.070 0.321 0.000 2.289 457 H HA -0.080 4.488 4.556 0.019 0.000 0.296 457 H C 1.060 176.479 175.328 0.151 0.000 1.091 457 H CA 2.146 58.338 56.048 0.239 0.000 1.274 457 H CB 0.270 30.225 29.762 0.323 0.000 1.364 457 H HN 0.599 nan 8.280 nan 0.000 0.490 458 N N 0.093 118.823 118.700 0.051 0.000 2.104 458 N HA -0.146 4.605 4.740 0.019 0.000 0.190 458 N C 2.067 177.557 175.510 -0.034 0.000 1.024 458 N CA 1.231 54.259 53.050 -0.037 0.000 0.853 458 N CB -0.517 38.009 38.487 0.066 0.000 1.008 458 N HN 0.352 nan 8.380 nan 0.000 0.424 459 L N 1.696 122.933 121.223 0.024 0.000 2.027 459 L HA -0.040 4.312 4.340 0.019 0.000 0.206 459 L C 2.074 178.957 176.870 0.022 0.000 1.074 459 L CA 1.581 56.440 54.840 0.033 0.000 0.745 459 L CB -0.370 41.724 42.059 0.058 0.000 0.898 459 L HN -0.034 nan 8.230 nan 0.000 0.433 460 R N -0.339 120.169 120.500 0.015 0.000 2.096 460 R HA -0.180 4.171 4.340 0.019 0.000 0.235 460 R C 2.185 178.502 176.300 0.027 0.000 1.127 460 R CA 1.529 57.645 56.100 0.027 0.000 0.968 460 R CB -0.902 29.401 30.300 0.005 0.000 0.861 460 R HN 0.634 nan 8.270 nan 0.000 0.440 461 Q N 1.127 120.869 119.800 -0.095 0.000 2.084 461 Q HA -0.145 4.207 4.340 0.019 0.000 0.202 461 Q C 1.635 177.669 176.000 0.058 0.000 0.978 461 Q CA 1.584 57.340 55.803 -0.078 0.000 0.844 461 Q CB 0.138 28.730 28.738 -0.243 0.000 0.898 461 Q HN 0.286 nan 8.270 nan 0.000 0.426 462 K N -0.082 120.339 120.400 0.034 0.000 2.025 462 K HA -0.160 4.171 4.320 0.019 0.000 0.207 462 K C 2.224 178.874 176.600 0.083 0.000 1.049 462 K CA 1.570 57.892 56.287 0.058 0.000 0.933 462 K CB -0.055 32.466 32.500 0.036 0.000 0.714 462 K HN 0.307 nan 8.250 nan 0.000 0.438 463 Q N -0.089 119.761 119.800 0.083 0.000 2.084 463 Q HA -0.169 4.183 4.340 0.019 0.000 0.202 463 Q C 2.010 178.079 176.000 0.114 0.000 0.978 463 Q CA 1.440 57.288 55.803 0.076 0.000 0.844 463 Q CB -0.194 28.586 28.738 0.069 0.000 0.898 463 Q HN 0.254 nan 8.270 nan 0.000 0.426 464 F N 1.771 121.758 119.950 0.061 0.000 2.113 464 F HA -0.137 4.400 4.527 0.018 0.000 0.297 464 F C 1.931 177.829 175.800 0.164 0.000 1.103 464 F CA 1.382 59.464 58.000 0.136 0.000 1.248 464 F CB 0.089 39.154 39.000 0.109 0.000 0.999 464 F HN -0.165 nan 8.300 nan 0.000 0.475 465 K N 0.151 120.766 120.400 0.358 0.000 2.097 465 K HA -0.153 4.178 4.320 0.019 0.000 0.206 465 K C 2.287 178.982 176.600 0.158 0.000 1.049 465 K CA 1.147 57.606 56.287 0.286 0.000 0.933 465 K CB -0.533 32.094 32.500 0.213 0.000 0.717 465 K HN 0.358 nan 8.250 nan 0.000 0.442 466 A N 1.660 124.523 122.820 0.072 0.000 1.858 466 A HA -0.149 4.182 4.320 0.019 0.000 0.216 466 A C 2.150 179.686 177.584 -0.080 0.000 1.190 466 A CA 1.268 53.303 52.037 -0.004 0.000 0.617 466 A CB -0.750 18.240 19.000 -0.017 0.000 0.827 466 A HN 0.155 nan 8.150 nan 0.000 0.443 467 L N -1.996 119.139 121.223 -0.145 0.000 2.043 467 L HA -0.245 4.106 4.340 0.019 0.000 0.212 467 L C 2.614 179.304 176.870 -0.301 0.000 1.075 467 L CA 2.049 56.695 54.840 -0.323 0.000 0.752 467 L CB -0.746 41.000 42.059 -0.521 0.000 0.891 467 L HN 0.608 nan 8.230 nan 0.000 0.432 468 Y N 1.522 121.657 120.300 -0.274 0.000 2.060 468 Y HA -0.263 4.297 4.550 0.017 0.000 0.276 468 Y C 2.635 178.431 175.900 -0.173 0.000 1.127 468 Y CA 1.769 59.759 58.100 -0.183 0.000 1.104 468 Y CB -0.534 37.884 38.460 -0.069 0.000 0.983 468 Y HN 0.179 nan 8.280 nan 0.000 0.483 469 N N 0.552 119.151 118.700 -0.168 0.000 2.094 469 N HA -0.275 4.477 4.740 0.019 0.000 0.191 469 N C 1.928 177.286 175.510 -0.254 0.000 1.023 469 N CA 1.762 54.664 53.050 -0.247 0.000 0.857 469 N CB -0.659 37.790 38.487 -0.064 0.000 1.013 469 N HN 0.614 nan 8.380 nan 0.000 0.426 470 Q N 0.259 119.932 119.800 -0.210 0.000 2.096 470 Q HA -0.127 4.224 4.340 0.019 0.000 0.204 470 Q C 2.062 177.912 176.000 -0.249 0.000 0.982 470 Q CA 1.161 56.842 55.803 -0.203 0.000 0.850 470 Q CB -0.079 28.543 28.738 -0.194 0.000 0.901 470 Q HN 0.228 nan 8.270 nan 0.000 0.422 471 L N 0.868 121.898 121.223 -0.323 0.000 2.109 471 L HA -0.100 4.252 4.340 0.019 0.000 0.207 471 L C 2.259 178.926 176.870 -0.339 0.000 1.086 471 L CA 1.762 56.401 54.840 -0.335 0.000 0.760 471 L CB -0.438 41.382 42.059 -0.399 0.000 0.910 471 L HN 0.106 nan 8.230 nan 0.000 0.437 472 K N -0.592 119.541 120.400 -0.444 0.000 2.063 472 K HA -0.191 4.140 4.320 0.019 0.000 0.208 472 K C 1.911 178.354 176.600 -0.262 0.000 1.048 472 K CA 1.410 57.445 56.287 -0.421 0.000 0.928 472 K CB -0.154 32.000 32.500 -0.577 0.000 0.713 472 K HN 0.442 nan 8.250 nan 0.000 0.442 473 A N 1.119 123.803 122.820 -0.228 0.000 1.855 473 A HA 0.007 4.338 4.320 0.019 0.000 0.215 473 A C 2.137 179.636 177.584 -0.142 0.000 1.191 473 A CA 1.532 53.475 52.037 -0.158 0.000 0.613 473 A CB -0.744 18.175 19.000 -0.135 0.000 0.829 473 A HN 0.422 nan 8.150 nan 0.000 0.442 474 A N -1.375 121.352 122.820 -0.156 0.000 2.247 474 A HA 0.357 4.688 4.320 0.019 0.000 0.205 474 A C 0.718 178.222 177.584 -0.134 0.000 1.261 474 A CA 0.339 52.295 52.037 -0.136 0.000 0.853 474 A CB -0.778 18.135 19.000 -0.146 0.000 0.793 474 A HN 0.426 nan 8.150 nan 0.000 0.487 475 I N 0.000 120.486 120.570 -0.140 0.000 2.984 475 I HA 0.000 4.182 4.170 0.019 0.000 0.288 475 I CA 0.000 61.224 61.300 -0.126 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