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 1xdi_1_A DATA FIRST_RESID 2 DATA SEQUENCE VTRIVILGGG PAGYEAALVA ATSHPETTQV TVIDCDGIGG AAVLDDCVPS DATA SEQUENCE KTFIASTGLR TELRRAPHLG FHXXXXXXKI SLPQIHARVK TLAAAQSADI DATA SEQUENCE TAQLLSMGVQ VIAGRGELID STPGLARHRI KATAADGSTS EHEADVVLVA DATA SEQUENCE TGASPRILPS AQPDGERILT WRQLYDLDAL PDHLIVVGSG VTGAEFVDAY DATA SEQUENCE TELGVPVTVV ASQDHVLPYE DADAALVLEE SFAERGVRLF KNARAASVTR DATA SEQUENCE TGAGVLVTMT DGRTVEGSHA LMTIGSVPNT SGLGLERVGI QLGRGNYLTV DATA SEQUENCE DRVSRTLATG IYAAGDCTGL LPLASVAAMQ GRIAMYHALG EGVSPIRLRT DATA SEQUENCE VAATVFTRPE IAAVGVPQSV IDAGSVAART IMLPLRTNAR AKMSEMRHGF DATA SEQUENCE VKIFCRRSTG VVIGGVVVAP IASELILPIA VAVQNRITVN ELAQTLAVYP DATA SEQUENCE SLSGSITEAA RRLMA 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.098 176.094 0.006 0.000 1.182 2 V CA 0.000 62.305 62.300 0.008 0.000 1.235 2 V CB 0.000 31.832 31.823 0.015 0.000 1.184 3 T N 5.040 119.595 114.554 0.001 0.000 2.780 3 T HA 0.446 4.795 4.350 -0.001 0.000 0.294 3 T C -0.019 174.689 174.700 0.014 0.000 0.949 3 T CA -0.537 61.564 62.100 0.000 0.000 1.074 3 T CB 0.333 69.189 68.868 -0.020 0.000 0.910 3 T HN 0.569 nan 8.240 nan 0.000 0.501 4 R N 5.309 125.824 120.500 0.025 0.000 2.220 4 R HA 0.349 4.688 4.340 -0.001 0.000 0.340 4 R C -0.304 176.024 176.300 0.046 0.000 1.076 4 R CA -0.293 55.831 56.100 0.040 0.000 0.920 4 R CB 0.395 30.727 30.300 0.052 0.000 1.062 4 R HN 0.675 nan 8.270 nan 0.000 0.469 5 I N 3.378 123.971 120.570 0.038 0.000 2.321 5 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 5 I C -0.097 176.041 176.117 0.034 0.000 0.998 5 I CA -0.888 60.432 61.300 0.033 0.000 1.227 5 I CB 1.714 39.720 38.000 0.010 0.000 1.368 5 I HN 0.114 nan 8.210 nan 0.000 0.466 6 V N 7.662 127.600 119.914 0.041 0.000 2.444 6 V HA 0.457 4.577 4.120 -0.001 0.000 0.294 6 V C -0.065 176.037 176.094 0.013 0.000 1.022 6 V CA -0.473 61.838 62.300 0.017 0.000 0.850 6 V CB 1.908 33.742 31.823 0.019 0.000 0.992 6 V HN 0.493 nan 8.190 nan 0.000 0.426 7 I N 5.587 126.155 120.570 -0.003 0.000 2.339 7 I HA 0.394 4.563 4.170 -0.001 0.000 0.290 7 I C -0.419 175.694 176.117 -0.007 0.000 0.994 7 I CA -0.415 60.886 61.300 0.001 0.000 1.191 7 I CB 1.483 39.484 38.000 0.002 0.000 1.343 7 I HN 0.334 nan 8.210 nan 0.000 0.458 8 L N 6.567 127.790 121.223 0.001 0.000 2.260 8 L HA 0.647 4.987 4.340 -0.001 0.000 0.289 8 L C 0.519 177.395 176.870 0.009 0.000 1.057 8 L CA -0.363 54.476 54.840 -0.002 0.000 0.811 8 L CB 0.646 42.705 42.059 0.001 0.000 1.184 8 L HN 0.914 nan 8.230 nan 0.000 0.429 9 G N 2.119 110.926 108.800 0.012 0.000 3.067 9 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.686 9 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.686 9 G C 0.032 174.956 174.900 0.040 0.000 1.119 9 G CA -0.432 44.683 45.100 0.026 0.000 0.790 9 G HN 0.929 nan 8.290 nan 0.000 0.605 10 G N 0.612 109.449 108.800 0.061 0.000 4.044 10 G HA2 0.695 4.654 3.960 -0.001 0.000 0.297 10 G HA3 0.695 4.654 3.960 -0.001 0.000 0.297 10 G C 0.814 175.821 174.900 0.179 0.000 1.101 10 G CA 0.959 46.123 45.100 0.107 0.000 0.884 10 G HN 1.341 nan 8.290 nan 0.000 0.538 11 G N 0.413 109.284 108.800 0.118 0.000 2.531 11 G HA2 0.483 4.443 3.960 -0.001 0.000 0.281 11 G HA3 0.483 4.443 3.960 -0.001 0.000 0.281 11 G C -1.041 173.832 174.900 -0.046 0.000 1.382 11 G CA -1.016 44.163 45.100 0.131 0.000 1.045 11 G HN -0.039 nan 8.290 nan 0.000 0.533 12 P HA -0.226 nan 4.420 nan 0.000 0.217 12 P C 2.198 179.253 177.300 -0.407 0.000 1.162 12 P CA 2.694 65.464 63.100 -0.551 0.000 0.901 12 P CB 0.032 31.575 31.700 -0.262 0.000 0.793 13 A N -0.457 122.247 122.820 -0.194 0.000 1.869 13 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 13 A C 2.528 180.028 177.584 -0.140 0.000 1.203 13 A CA 2.615 54.569 52.037 -0.139 0.000 0.638 13 A CB -1.927 17.034 19.000 -0.064 0.000 0.831 13 A HN 0.314 nan 8.150 nan 0.000 0.450 14 G N -1.289 107.460 108.800 -0.086 0.000 2.404 14 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.214 14 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.214 14 G C 1.479 176.383 174.900 0.005 0.000 1.189 14 G CA 1.189 46.271 45.100 -0.031 0.000 0.789 14 G HN 0.871 nan 8.290 nan 0.000 0.533 15 Y N 0.578 120.869 120.300 -0.016 0.000 2.639 15 Y HA 0.257 4.807 4.550 -0.001 0.000 0.297 15 Y C 1.666 177.553 175.900 -0.022 0.000 1.151 15 Y CA 0.779 58.869 58.100 -0.016 0.000 1.335 15 Y CB -0.119 38.336 38.460 -0.009 0.000 0.994 15 Y HN 0.326 nan 8.280 nan 0.000 0.548 16 E N -0.419 119.672 120.200 -0.181 0.000 2.693 16 E HA 0.455 4.805 4.350 -0.001 0.000 0.214 16 E C 1.344 177.872 176.600 -0.120 0.000 0.990 16 E CA 0.426 56.742 56.400 -0.141 0.000 1.047 16 E CB 0.262 29.701 29.700 -0.435 0.000 1.039 16 E HN 0.452 nan 8.360 nan 0.000 0.475 17 A N -0.056 122.702 122.820 -0.102 0.000 2.013 17 A HA 0.411 4.730 4.320 -0.001 0.000 0.204 17 A C 2.116 179.657 177.584 -0.073 0.000 1.262 17 A CA 0.747 52.707 52.037 -0.129 0.000 0.800 17 A CB -0.041 18.884 19.000 -0.124 0.000 0.909 17 A HN 0.279 nan 8.150 nan 0.000 0.472 18 A N -0.157 122.656 122.820 -0.012 0.000 1.897 18 A HA 0.056 4.376 4.320 -0.001 0.000 0.215 18 A C 1.990 179.594 177.584 0.032 0.000 1.181 18 A CA 1.565 53.613 52.037 0.018 0.000 0.620 18 A CB -0.584 18.445 19.000 0.049 0.000 0.821 18 A HN 0.388 nan 8.150 nan 0.000 0.443 19 L N -0.275 120.984 121.223 0.060 0.000 1.990 19 L HA -0.153 4.187 4.340 -0.001 0.000 0.213 19 L C 2.577 179.470 176.870 0.038 0.000 1.072 19 L CA 1.715 56.595 54.840 0.066 0.000 0.755 19 L CB -0.716 41.411 42.059 0.114 0.000 0.889 19 L HN 0.196 nan 8.230 nan 0.000 0.432 20 V N -0.741 119.176 119.914 0.006 0.000 2.407 20 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 20 V C 2.609 178.724 176.094 0.036 0.000 1.055 20 V CA 1.461 63.764 62.300 0.004 0.000 1.049 20 V CB -0.813 30.928 31.823 -0.136 0.000 0.662 20 V HN 0.565 nan 8.190 nan 0.000 0.455 21 A N 0.057 122.886 122.820 0.016 0.000 1.835 21 A HA -0.161 4.159 4.320 -0.001 0.000 0.215 21 A C 2.406 180.044 177.584 0.090 0.000 1.199 21 A CA 2.270 54.342 52.037 0.059 0.000 0.615 21 A CB -1.054 17.956 19.000 0.016 0.000 0.838 21 A HN 0.591 nan 8.150 nan 0.000 0.444 22 A N -1.723 121.130 122.820 0.056 0.000 2.015 22 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 22 A C 2.233 179.838 177.584 0.035 0.000 1.163 22 A CA 2.179 54.246 52.037 0.050 0.000 0.646 22 A CB -0.980 18.042 19.000 0.037 0.000 0.806 22 A HN 0.454 nan 8.150 nan 0.000 0.448 23 T N -1.132 113.438 114.554 0.026 0.000 2.896 23 T HA -0.010 4.339 4.350 -0.001 0.000 0.263 23 T C 2.058 176.736 174.700 -0.035 0.000 1.050 23 T CA 1.585 63.688 62.100 0.006 0.000 1.140 23 T CB -0.057 68.822 68.868 0.018 0.000 0.877 23 T HN 0.398 nan 8.240 nan 0.000 0.457 24 S N -0.462 115.200 115.700 -0.064 0.000 2.524 24 S HA 0.069 4.539 4.470 -0.001 0.000 0.216 24 S C 0.405 174.655 174.600 -0.583 0.000 0.987 24 S CA 0.073 58.119 58.200 -0.256 0.000 0.909 24 S CB 0.071 63.135 63.200 -0.226 0.000 0.781 24 S HN 0.479 nan 8.310 nan 0.000 0.521 25 H N -0.517 118.570 119.070 0.028 0.000 2.779 25 H HA 0.247 4.803 4.556 -0.000 0.000 0.230 25 H C -2.261 173.076 175.328 0.016 0.000 1.365 25 H CA -1.236 54.824 56.048 0.021 0.000 1.086 25 H CB 0.452 30.226 29.762 0.020 0.000 2.038 25 H HN 0.169 nan 8.280 nan 0.000 0.558 26 P HA -0.192 nan 4.420 nan 0.000 0.218 26 P C 1.114 178.446 177.300 0.053 0.000 1.154 26 P CA 1.702 64.829 63.100 0.045 0.000 0.872 26 P CB 0.441 32.152 31.700 0.018 0.000 0.790 27 E N -2.375 117.860 120.200 0.058 0.000 2.474 27 E HA 0.016 4.366 4.350 -0.001 0.000 0.195 27 E C 1.226 177.858 176.600 0.054 0.000 1.039 27 E CA 0.696 57.126 56.400 0.049 0.000 0.881 27 E CB -0.061 29.661 29.700 0.037 0.000 0.970 27 E HN 0.340 nan 8.360 nan 0.000 0.486 28 T N -2.229 112.371 114.554 0.076 0.000 3.054 28 T HA 0.053 4.403 4.350 -0.001 0.000 0.255 28 T C 0.788 175.509 174.700 0.034 0.000 1.035 28 T CA 0.026 62.156 62.100 0.051 0.000 0.941 28 T CB 0.304 69.202 68.868 0.050 0.000 1.026 28 T HN 0.041 nan 8.240 nan 0.000 0.533 29 T N -0.994 113.592 114.554 0.053 0.000 2.916 29 T HA 0.590 4.940 4.350 -0.001 0.000 0.292 29 T C -1.230 173.494 174.700 0.040 0.000 1.064 29 T CA -0.830 61.294 62.100 0.040 0.000 1.011 29 T CB 2.399 71.296 68.868 0.049 0.000 1.152 29 T HN 0.144 nan 8.240 nan 0.000 0.510 30 Q N 1.863 121.684 119.800 0.035 0.000 2.397 30 Q HA 0.499 4.839 4.340 -0.001 0.000 0.260 30 Q C -1.678 174.346 176.000 0.039 0.000 1.002 30 Q CA -0.649 55.177 55.803 0.038 0.000 0.716 30 Q CB 1.622 30.384 28.738 0.040 0.000 1.258 30 Q HN 0.723 nan 8.270 nan 0.000 0.477 31 V N 3.114 123.049 119.914 0.036 0.000 2.383 31 V HA 0.450 4.569 4.120 -0.001 0.000 0.275 31 V C 0.020 176.130 176.094 0.027 0.000 1.036 31 V CA -0.299 62.018 62.300 0.029 0.000 0.889 31 V CB 1.308 33.147 31.823 0.026 0.000 0.985 31 V HN 0.692 nan 8.190 nan 0.000 0.459 32 T N 4.312 118.878 114.554 0.018 0.000 2.792 32 T HA 0.566 4.916 4.350 -0.001 0.000 0.280 32 T C -0.355 174.331 174.700 -0.023 0.000 0.990 32 T CA -0.460 61.639 62.100 -0.003 0.000 0.960 32 T CB 1.746 70.602 68.868 -0.020 0.000 0.939 32 T HN 0.341 nan 8.240 nan 0.000 0.439 33 V N 4.843 124.745 119.914 -0.020 0.000 2.357 33 V HA 0.444 4.564 4.120 -0.001 0.000 0.284 33 V C -0.227 175.846 176.094 -0.036 0.000 1.018 33 V CA -0.743 61.549 62.300 -0.014 0.000 0.841 33 V CB 1.078 32.911 31.823 0.016 0.000 0.991 33 V HN 0.818 nan 8.190 nan 0.000 0.437 34 I N 4.661 125.201 120.570 -0.051 0.000 2.330 34 I HA 0.434 4.604 4.170 -0.001 0.000 0.286 34 I C -0.597 175.507 176.117 -0.022 0.000 1.025 34 I CA -0.100 61.164 61.300 -0.060 0.000 1.197 34 I CB 1.288 39.230 38.000 -0.097 0.000 1.358 34 I HN 0.616 nan 8.210 nan 0.000 0.467 35 D N 4.490 124.885 120.400 -0.007 0.000 2.619 35 D HA 0.345 4.985 4.640 -0.001 0.000 0.241 35 D C 0.612 176.917 176.300 0.008 0.000 1.087 35 D CA -0.744 53.261 54.000 0.009 0.000 0.851 35 D CB 1.762 42.577 40.800 0.024 0.000 1.474 35 D HN 0.601 nan 8.370 nan 0.000 0.478 36 C N 1.317 120.625 119.300 0.013 0.000 2.527 36 C HA 0.307 4.767 4.460 -0.001 0.000 0.280 36 C C 1.314 176.312 174.990 0.014 0.000 1.353 36 C CA -0.022 59.002 59.018 0.011 0.000 1.749 36 C CB -0.222 27.524 27.740 0.010 0.000 2.088 36 C HN 0.568 nan 8.230 nan 0.000 0.508 37 D N 1.200 121.612 120.400 0.020 0.000 2.354 37 D HA 0.363 5.003 4.640 -0.001 0.000 0.209 37 D C 1.112 177.424 176.300 0.021 0.000 1.015 37 D CA 1.603 55.616 54.000 0.021 0.000 0.867 37 D CB 0.580 41.397 40.800 0.028 0.000 0.933 37 D HN 0.838 nan 8.370 nan 0.000 0.520 38 G N 1.221 110.034 108.800 0.022 0.000 3.187 38 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.682 38 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.682 38 G C -0.461 174.453 174.900 0.023 0.000 1.266 38 G CA -1.065 44.044 45.100 0.015 0.000 0.902 38 G HN -0.017 nan 8.290 nan 0.000 0.589 39 I N 1.562 122.137 120.570 0.010 0.000 3.015 39 I HA 0.222 4.392 4.170 -0.001 0.000 0.309 39 I C 1.760 177.878 176.117 0.001 0.000 1.229 39 I CA 2.350 63.652 61.300 0.004 0.000 1.430 39 I CB -0.480 37.485 38.000 -0.059 0.000 1.347 39 I HN 2.108 nan 8.210 nan 0.000 0.544 40 G N 3.777 112.644 108.800 0.112 0.000 2.336 40 G HA2 0.039 3.998 3.960 -0.001 0.000 0.194 40 G HA3 0.039 3.998 3.960 -0.001 0.000 0.194 40 G C 0.699 175.706 174.900 0.178 0.000 0.999 40 G CA 0.105 45.307 45.100 0.170 0.000 0.669 40 G HN 1.455 nan 8.290 nan 0.000 0.482 41 G N 0.200 109.076 108.800 0.126 0.000 2.668 41 G HA2 0.175 4.135 3.960 -0.001 0.000 0.266 41 G HA3 0.175 4.135 3.960 -0.001 0.000 0.266 41 G C 1.422 176.379 174.900 0.095 0.000 1.328 41 G CA 1.847 47.007 45.100 0.101 0.000 0.911 41 G HN 1.878 nan 8.290 nan 0.000 0.567 42 A N -0.962 121.915 122.820 0.096 0.000 1.978 42 A HA 0.233 4.552 4.320 -0.001 0.000 0.220 42 A C 3.023 180.682 177.584 0.124 0.000 1.170 42 A CA 3.317 55.423 52.037 0.114 0.000 0.636 42 A CB -0.985 18.094 19.000 0.132 0.000 0.810 42 A HN 2.379 nan 8.150 nan 0.000 0.448 43 A N -0.787 122.097 122.820 0.107 0.000 1.917 43 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 43 A C 2.226 179.862 177.584 0.086 0.000 1.182 43 A CA 2.102 54.194 52.037 0.092 0.000 0.633 43 A CB -0.732 18.313 19.000 0.074 0.000 0.819 43 A HN 0.427 nan 8.150 nan 0.000 0.448 44 V N -0.857 119.112 119.914 0.093 0.000 2.575 44 V HA 0.000 4.120 4.120 -0.001 0.000 0.242 44 V C 2.277 178.405 176.094 0.056 0.000 1.045 44 V CA 1.299 63.642 62.300 0.071 0.000 1.065 44 V CB -0.228 31.644 31.823 0.080 0.000 0.717 44 V HN 0.525 nan 8.190 nan 0.000 0.467 45 L N -0.849 120.415 121.223 0.068 0.000 2.446 45 L HA 0.107 4.446 4.340 -0.001 0.000 0.219 45 L C 1.607 178.530 176.870 0.089 0.000 1.116 45 L CA 0.808 55.684 54.840 0.060 0.000 0.844 45 L CB -0.011 42.080 42.059 0.052 0.000 0.970 45 L HN 0.357 nan 8.230 nan 0.000 0.457 46 D N -1.334 119.144 120.400 0.129 0.000 3.050 46 D HA -0.009 4.630 4.640 -0.001 0.000 0.281 46 D C 1.064 177.545 176.300 0.303 0.000 1.246 46 D CA 0.403 54.519 54.000 0.194 0.000 1.073 46 D CB 0.450 41.356 40.800 0.177 0.000 1.382 46 D HN 0.085 nan 8.370 nan 0.000 0.433 47 D N 0.688 121.259 120.400 0.285 0.000 2.454 47 D HA -0.021 4.618 4.640 -0.001 0.000 0.247 47 D C 2.047 178.439 176.300 0.154 0.000 1.143 47 D CA 0.199 54.378 54.000 0.300 0.000 0.972 47 D CB -0.726 40.232 40.800 0.264 0.000 1.070 47 D HN 0.124 nan 8.370 nan 0.000 0.433 48 C N 1.444 120.791 119.300 0.078 0.000 2.659 48 C HA -0.138 4.322 4.460 -0.001 0.000 0.289 48 C C 2.905 177.882 174.990 -0.021 0.000 1.227 48 C CA 1.015 60.038 59.018 0.008 0.000 1.770 48 C CB -0.984 26.762 27.740 0.009 0.000 2.066 48 C HN 0.155 nan 8.230 nan 0.000 0.447 49 V N 2.509 122.418 119.914 -0.008 0.000 2.277 49 V HA -0.208 3.912 4.120 -0.001 0.000 0.253 49 V C -0.164 175.905 176.094 -0.042 0.000 1.067 49 V CA 3.063 65.341 62.300 -0.036 0.000 1.047 49 V CB -1.915 29.901 31.823 -0.012 0.000 0.649 49 V HN 0.527 nan 8.190 nan 0.000 0.447 50 P HA -0.129 nan 4.420 nan 0.000 0.213 50 P C 2.164 179.496 177.300 0.053 0.000 1.170 50 P CA 2.290 65.364 63.100 -0.044 0.000 0.893 50 P CB -0.274 31.418 31.700 -0.013 0.000 0.784 51 S N -0.195 115.623 115.700 0.196 0.000 2.365 51 S HA -0.235 4.235 4.470 -0.001 0.000 0.225 51 S C 1.852 176.465 174.600 0.022 0.000 1.039 51 S CA 1.593 59.911 58.200 0.197 0.000 1.033 51 S CB -1.220 61.927 63.200 -0.087 0.000 0.887 51 S HN 0.016 nan 8.310 nan 0.000 0.447 52 K N 1.367 121.691 120.400 -0.126 0.000 2.147 52 K HA 0.044 4.363 4.320 -0.001 0.000 0.205 52 K C 2.381 178.894 176.600 -0.144 0.000 1.049 52 K CA 1.714 57.849 56.287 -0.253 0.000 0.936 52 K CB -1.065 31.175 32.500 -0.434 0.000 0.722 52 K HN 0.565 nan 8.250 nan 0.000 0.446 53 T N 0.435 114.943 114.554 -0.077 0.000 2.668 53 T HA -0.110 4.240 4.350 -0.001 0.000 0.262 53 T C 1.511 176.202 174.700 -0.016 0.000 1.045 53 T CA 1.169 63.232 62.100 -0.062 0.000 1.152 53 T CB -0.549 68.278 68.868 -0.067 0.000 0.864 53 T HN 0.140 nan 8.240 nan 0.000 0.419 54 F N 1.809 121.711 119.950 -0.080 0.000 2.087 54 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 54 F C 2.036 177.823 175.800 -0.021 0.000 1.100 54 F CA 1.165 59.168 58.000 0.005 0.000 1.226 54 F CB -0.529 38.596 39.000 0.209 0.000 0.983 54 F HN 0.087 nan 8.300 nan 0.000 0.479 55 I N -0.290 120.293 120.570 0.022 0.000 2.394 55 I HA -0.280 3.890 4.170 -0.001 0.000 0.251 55 I C 2.547 178.582 176.117 -0.138 0.000 1.136 55 I CA 1.027 62.279 61.300 -0.081 0.000 1.425 55 I CB -0.770 37.207 38.000 -0.037 0.000 1.079 55 I HN 0.255 nan 8.210 nan 0.000 0.425 56 A N -0.144 122.598 122.820 -0.130 0.000 1.929 56 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 56 A C 2.470 179.970 177.584 -0.140 0.000 1.176 56 A CA 1.792 53.758 52.037 -0.120 0.000 0.628 56 A CB -0.489 18.446 19.000 -0.109 0.000 0.816 56 A HN 0.348 nan 8.150 nan 0.000 0.444 57 S N -0.502 115.087 115.700 -0.185 0.000 2.368 57 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 57 S C 2.055 176.519 174.600 -0.227 0.000 1.029 57 S CA 1.688 59.769 58.200 -0.198 0.000 0.988 57 S CB -0.504 62.557 63.200 -0.231 0.000 0.838 57 S HN 0.666 nan 8.310 nan 0.000 0.462 58 T N 1.707 116.070 114.554 -0.318 0.000 2.720 58 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 58 T C 2.029 176.636 174.700 -0.156 0.000 1.037 58 T CA 1.383 63.318 62.100 -0.276 0.000 1.144 58 T CB -0.922 67.763 68.868 -0.306 0.000 0.864 58 T HN 0.557 nan 8.240 nan 0.000 0.444 59 G N 1.767 110.486 108.800 -0.134 0.000 2.513 59 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 59 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 59 G C 1.484 176.329 174.900 -0.091 0.000 1.160 59 G CA 0.667 45.711 45.100 -0.094 0.000 0.767 59 G HN 0.419 nan 8.290 nan 0.000 0.571 60 L N 0.115 121.278 121.223 -0.100 0.000 2.010 60 L HA -0.224 4.116 4.340 -0.001 0.000 0.219 60 L C 2.994 179.814 176.870 -0.083 0.000 1.077 60 L CA 2.341 57.125 54.840 -0.093 0.000 0.773 60 L CB -0.548 41.455 42.059 -0.093 0.000 0.892 60 L HN 0.343 nan 8.230 nan 0.000 0.436 61 R N -0.772 119.680 120.500 -0.079 0.000 2.103 61 R HA -0.191 4.149 4.340 -0.001 0.000 0.242 61 R C 2.147 178.416 176.300 -0.052 0.000 1.142 61 R CA 2.182 58.248 56.100 -0.058 0.000 0.960 61 R CB -0.302 29.968 30.300 -0.049 0.000 0.858 61 R HN 0.319 nan 8.270 nan 0.000 0.439 62 T N 0.946 115.467 114.554 -0.055 0.000 2.505 62 T HA -0.242 4.108 4.350 -0.001 0.000 0.259 62 T C 1.320 175.980 174.700 -0.067 0.000 1.158 62 T CA 2.069 64.139 62.100 -0.050 0.000 1.190 62 T CB -0.323 68.515 68.868 -0.050 0.000 0.864 62 T HN 0.468 nan 8.240 nan 0.000 0.413 63 E N 0.377 120.528 120.200 -0.082 0.000 1.963 63 E HA -0.158 4.191 4.350 -0.001 0.000 0.215 63 E C 1.950 178.485 176.600 -0.107 0.000 0.993 63 E CA 1.100 57.438 56.400 -0.104 0.000 0.880 63 E CB -0.544 29.089 29.700 -0.112 0.000 0.811 63 E HN 0.135 nan 8.360 nan 0.000 0.539 64 L N 0.913 122.071 121.223 -0.108 0.000 2.434 64 L HA -0.368 3.972 4.340 -0.001 0.000 0.244 64 L C 1.684 178.517 176.870 -0.060 0.000 1.169 64 L CA 2.401 57.185 54.840 -0.092 0.000 0.804 64 L CB -0.658 41.366 42.059 -0.058 0.000 1.020 64 L HN 0.182 nan 8.230 nan 0.000 0.414 65 R N -0.796 119.687 120.500 -0.028 0.000 2.389 65 R HA -0.078 4.261 4.340 -0.001 0.000 0.210 65 R C 1.268 177.539 176.300 -0.049 0.000 1.157 65 R CA 0.687 56.787 56.100 0.001 0.000 1.169 65 R CB -0.441 29.868 30.300 0.015 0.000 1.004 65 R HN 0.361 nan 8.270 nan 0.000 0.482 66 R N -0.396 120.036 120.500 -0.114 0.000 2.543 66 R HA 0.221 4.561 4.340 -0.001 0.000 0.323 66 R C 1.290 177.485 176.300 -0.174 0.000 1.002 66 R CA 0.362 56.306 56.100 -0.260 0.000 1.106 66 R CB 0.201 30.343 30.300 -0.263 0.000 1.280 66 R HN 0.130 nan 8.270 nan 0.000 0.549 67 A N 1.469 124.258 122.820 -0.051 0.000 1.902 67 A HA 0.030 4.350 4.320 -0.001 0.000 0.217 67 A C -0.657 177.040 177.584 0.188 0.000 1.181 67 A CA 0.960 53.021 52.037 0.040 0.000 0.623 67 A CB -1.049 17.975 19.000 0.040 0.000 0.818 67 A HN 0.337 nan 8.150 nan 0.000 0.443 68 P HA -0.156 nan 4.420 nan 0.000 0.215 68 P C 0.931 178.390 177.300 0.266 0.000 1.153 68 P CA 1.435 64.671 63.100 0.227 0.000 0.853 68 P CB -0.312 31.518 31.700 0.217 0.000 0.788 69 H N -1.270 117.850 119.070 0.083 0.000 2.457 69 H HA -0.055 4.501 4.556 -0.001 0.000 0.297 69 H C 1.512 176.892 175.328 0.085 0.000 1.092 69 H CA 0.517 56.603 56.048 0.064 0.000 1.309 69 H CB -0.443 29.346 29.762 0.045 0.000 1.382 69 H HN 0.147 nan 8.280 nan 0.000 0.535 70 L N -0.504 120.874 121.223 0.259 0.000 2.592 70 L HA 0.143 4.482 4.340 -0.001 0.000 0.227 70 L C 1.460 178.515 176.870 0.309 0.000 1.127 70 L CA 0.459 55.466 54.840 0.278 0.000 0.884 70 L CB 0.732 42.949 42.059 0.263 0.000 1.065 70 L HN 0.494 nan 8.230 nan 0.000 0.457 71 G N -0.742 108.177 108.800 0.199 0.000 2.163 71 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.213 71 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.213 71 G C -0.054 174.725 174.900 -0.203 0.000 0.991 71 G CA -0.574 44.504 45.100 -0.036 0.000 0.653 71 G HN 0.119 nan 8.290 nan 0.000 0.518 72 F N 0.821 120.782 119.950 0.019 0.000 2.469 72 F HA 0.818 5.345 4.527 -0.001 0.000 0.332 72 F C 1.012 176.859 175.800 0.077 0.000 1.103 72 F CA -0.729 57.265 58.000 -0.011 0.000 0.979 72 F CB 1.231 40.173 39.000 -0.097 0.000 1.137 72 F HN 0.291 nan 8.300 nan 0.000 0.463 81 I N 1.727 122.299 120.570 0.002 0.000 2.362 81 I HA 0.155 4.324 4.170 -0.001 0.000 0.289 81 I C 0.034 176.145 176.117 -0.010 0.000 0.994 81 I CA -0.380 60.916 61.300 -0.007 0.000 1.158 81 I CB 1.906 39.905 38.000 -0.001 0.000 1.315 81 I HN 0.457 nan 8.210 nan 0.000 0.451 82 S N 7.151 122.839 115.700 -0.020 0.000 3.158 82 S HA 0.224 4.694 4.470 -0.001 0.000 0.215 82 S C 1.358 175.931 174.600 -0.046 0.000 1.359 82 S CA -0.570 57.617 58.200 -0.023 0.000 0.974 82 S CB 0.084 63.274 63.200 -0.015 0.000 1.336 82 S HN 0.655 nan 8.310 nan 0.000 0.488 83 L N 3.899 125.082 121.223 -0.066 0.000 2.064 83 L HA -0.079 4.260 4.340 -0.001 0.000 0.216 83 L C -0.920 175.800 176.870 -0.249 0.000 1.077 83 L CA 2.211 56.950 54.840 -0.168 0.000 0.766 83 L CB -1.598 40.354 42.059 -0.178 0.000 0.890 83 L HN 0.465 nan 8.230 nan 0.000 0.435 84 P HA -0.201 nan 4.420 nan 0.000 0.216 84 P C 1.436 178.756 177.300 0.033 0.000 1.150 84 P CA 1.399 64.486 63.100 -0.022 0.000 0.837 84 P CB -0.086 31.624 31.700 0.017 0.000 0.786 85 Q N -1.027 118.779 119.800 0.009 0.000 2.230 85 Q HA -0.042 4.298 4.340 -0.001 0.000 0.202 85 Q C 2.044 178.067 176.000 0.037 0.000 0.963 85 Q CA 0.951 56.769 55.803 0.024 0.000 0.866 85 Q CB -0.943 27.799 28.738 0.007 0.000 0.931 85 Q HN 0.251 nan 8.270 nan 0.000 0.452 86 I N 1.260 121.846 120.570 0.025 0.000 2.142 86 I HA -0.284 3.885 4.170 -0.001 0.000 0.240 86 I C 2.332 178.566 176.117 0.194 0.000 1.078 86 I CA 1.628 62.962 61.300 0.056 0.000 1.343 86 I CB -0.387 37.627 38.000 0.022 0.000 1.046 86 I HN 0.306 nan 8.210 nan 0.000 0.405 87 H N 0.163 119.320 119.070 0.144 0.000 2.352 87 H HA -0.190 4.366 4.556 -0.001 0.000 0.299 87 H C 2.330 177.688 175.328 0.050 0.000 1.097 87 H CA 0.933 57.068 56.048 0.145 0.000 1.311 87 H CB -0.059 29.821 29.762 0.197 0.000 1.377 87 H HN 0.413 nan 8.280 nan 0.000 0.504 88 A N 1.146 124.072 122.820 0.177 0.000 1.978 88 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 88 A C 2.283 179.893 177.584 0.043 0.000 1.170 88 A CA 1.446 53.535 52.037 0.088 0.000 0.636 88 A CB -0.460 18.580 19.000 0.068 0.000 0.810 88 A HN 0.328 nan 8.150 nan 0.000 0.448 89 R N -0.504 120.020 120.500 0.039 0.000 2.153 89 R HA 0.007 4.347 4.340 -0.001 0.000 0.218 89 R C 1.703 177.990 176.300 -0.021 0.000 1.072 89 R CA 1.244 57.346 56.100 0.003 0.000 0.990 89 R CB -0.193 30.104 30.300 -0.005 0.000 0.889 89 R HN 0.318 nan 8.270 nan 0.000 0.452 90 V N 1.807 121.705 119.914 -0.027 0.000 2.358 90 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 90 V C 2.217 178.235 176.094 -0.126 0.000 1.047 90 V CA 1.712 63.932 62.300 -0.134 0.000 1.035 90 V CB -0.261 31.363 31.823 -0.332 0.000 0.658 90 V HN 0.311 nan 8.190 nan 0.000 0.452 91 K N -0.605 119.752 120.400 -0.072 0.000 2.007 91 K HA -0.105 4.215 4.320 -0.001 0.000 0.206 91 K C 2.255 178.838 176.600 -0.027 0.000 1.047 91 K CA 1.650 57.912 56.287 -0.042 0.000 0.937 91 K CB -0.891 31.606 32.500 -0.005 0.000 0.718 91 K HN 0.358 nan 8.250 nan 0.000 0.438 92 T N 2.800 117.344 114.554 -0.016 0.000 2.624 92 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 92 T C 1.923 176.610 174.700 -0.022 0.000 1.041 92 T CA 1.561 63.652 62.100 -0.014 0.000 1.159 92 T CB -0.338 68.526 68.868 -0.007 0.000 0.863 92 T HN 0.200 nan 8.240 nan 0.000 0.434 93 L N 0.347 121.551 121.223 -0.031 0.000 2.046 93 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 93 L C 2.682 179.531 176.870 -0.035 0.000 1.077 93 L CA 1.709 56.528 54.840 -0.035 0.000 0.747 93 L CB -0.589 41.444 42.059 -0.044 0.000 0.896 93 L HN 0.289 nan 8.230 nan 0.000 0.432 94 A N -0.008 122.789 122.820 -0.038 0.000 1.892 94 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 94 A C 2.468 180.040 177.584 -0.020 0.000 1.188 94 A CA 2.085 54.105 52.037 -0.028 0.000 0.631 94 A CB -1.235 17.749 19.000 -0.028 0.000 0.822 94 A HN 0.603 nan 8.150 nan 0.000 0.447 95 A N -0.474 122.335 122.820 -0.019 0.000 1.940 95 A HA 0.106 4.425 4.320 -0.001 0.000 0.219 95 A C 2.462 180.032 177.584 -0.023 0.000 1.176 95 A CA 2.311 54.338 52.037 -0.016 0.000 0.631 95 A CB -0.902 18.090 19.000 -0.013 0.000 0.814 95 A HN 1.134 nan 8.150 nan 0.000 0.446 96 A N -1.675 121.130 122.820 -0.026 0.000 1.930 96 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 96 A C 2.112 179.673 177.584 -0.038 0.000 1.176 96 A CA 1.781 53.800 52.037 -0.030 0.000 0.632 96 A CB -0.386 18.598 19.000 -0.027 0.000 0.819 96 A HN 0.438 nan 8.150 nan 0.000 0.445 97 Q N 0.108 119.887 119.800 -0.036 0.000 2.124 97 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 97 Q C 2.277 178.239 176.000 -0.064 0.000 0.977 97 Q CA 1.910 57.688 55.803 -0.042 0.000 0.850 97 Q CB -0.528 28.195 28.738 -0.025 0.000 0.901 97 Q HN 0.581 nan 8.270 nan 0.000 0.429 98 S N -1.024 114.645 115.700 -0.051 0.000 2.371 98 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 98 S C 1.841 176.395 174.600 -0.078 0.000 1.029 98 S CA 1.001 59.163 58.200 -0.063 0.000 0.978 98 S CB -0.293 62.888 63.200 -0.032 0.000 0.833 98 S HN 0.471 nan 8.310 nan 0.000 0.466 99 A N 1.266 124.052 122.820 -0.057 0.000 1.930 99 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 99 A C 1.809 179.352 177.584 -0.069 0.000 1.175 99 A CA 1.835 53.840 52.037 -0.054 0.000 0.627 99 A CB -0.855 18.122 19.000 -0.038 0.000 0.815 99 A HN 0.529 nan 8.150 nan 0.000 0.443 100 D N 0.271 120.626 120.400 -0.074 0.000 2.097 100 D HA -0.133 4.507 4.640 -0.001 0.000 0.195 100 D C 1.803 178.032 176.300 -0.118 0.000 0.989 100 D CA 1.348 55.300 54.000 -0.079 0.000 0.827 100 D CB -0.346 40.412 40.800 -0.069 0.000 0.966 100 D HN 0.547 nan 8.370 nan 0.000 0.456 101 I N 0.626 121.085 120.570 -0.185 0.000 2.252 101 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 101 I C 2.158 178.140 176.117 -0.225 0.000 1.102 101 I CA 1.080 62.194 61.300 -0.308 0.000 1.385 101 I CB -0.560 37.083 38.000 -0.596 0.000 1.064 101 I HN -0.020 nan 8.210 nan 0.000 0.414 102 T N 1.083 115.543 114.554 -0.157 0.000 2.708 102 T HA -0.157 4.193 4.350 -0.001 0.000 0.266 102 T C 2.144 176.800 174.700 -0.073 0.000 1.037 102 T CA 1.471 63.511 62.100 -0.100 0.000 1.146 102 T CB -0.398 68.430 68.868 -0.067 0.000 0.865 102 T HN 0.476 nan 8.240 nan 0.000 0.435 103 A N 1.137 123.917 122.820 -0.068 0.000 1.933 103 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 103 A C 2.312 179.870 177.584 -0.044 0.000 1.175 103 A CA 1.777 53.785 52.037 -0.047 0.000 0.628 103 A CB -0.730 18.245 19.000 -0.042 0.000 0.814 103 A HN 0.543 nan 8.150 nan 0.000 0.444 104 Q N -0.461 119.302 119.800 -0.061 0.000 2.046 104 Q HA -0.110 4.230 4.340 -0.001 0.000 0.200 104 Q C 2.091 178.072 176.000 -0.032 0.000 0.975 104 Q CA 1.351 57.127 55.803 -0.046 0.000 0.836 104 Q CB -0.211 28.492 28.738 -0.059 0.000 0.896 104 Q HN 0.705 nan 8.270 nan 0.000 0.428 105 L N 0.242 121.438 121.223 -0.045 0.000 1.989 105 L HA -0.251 4.089 4.340 -0.001 0.000 0.211 105 L C 2.443 179.308 176.870 -0.010 0.000 1.071 105 L CA 0.755 55.584 54.840 -0.019 0.000 0.749 105 L CB -0.558 41.487 42.059 -0.023 0.000 0.890 105 L HN 0.298 nan 8.230 nan 0.000 0.431 106 L N 0.101 121.314 121.223 -0.017 0.000 2.079 106 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 106 L C 2.837 179.704 176.870 -0.005 0.000 1.081 106 L CA 2.200 57.035 54.840 -0.009 0.000 0.752 106 L CB -0.824 41.227 42.059 -0.014 0.000 0.896 106 L HN 0.399 nan 8.230 nan 0.000 0.433 107 S N -2.663 113.033 115.700 -0.008 0.000 2.527 107 S HA -0.082 4.387 4.470 -0.001 0.000 0.222 107 S C 1.712 176.312 174.600 -0.000 0.000 0.985 107 S CA 0.304 58.501 58.200 -0.005 0.000 0.921 107 S CB -0.323 62.873 63.200 -0.008 0.000 0.772 107 S HN 0.293 nan 8.310 nan 0.000 0.529 108 M N 1.544 121.145 119.600 0.001 0.000 2.561 108 M HA 0.356 4.835 4.480 -0.001 0.000 0.238 108 M C 1.260 177.567 176.300 0.012 0.000 1.131 108 M CA 0.697 56.002 55.300 0.007 0.000 1.046 108 M CB -0.183 32.424 32.600 0.010 0.000 1.532 108 M HN 0.548 nan 8.290 nan 0.000 0.497 109 G N -0.032 108.774 108.800 0.011 0.000 2.132 109 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.234 109 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.234 109 G C -0.135 174.776 174.900 0.019 0.000 0.989 109 G CA 0.111 45.219 45.100 0.015 0.000 0.676 109 G HN 0.327 nan 8.290 nan 0.000 0.522 110 V N 1.540 121.464 119.914 0.016 0.000 2.530 110 V HA 0.358 4.478 4.120 -0.001 0.000 0.282 110 V C 0.433 176.537 176.094 0.017 0.000 1.048 110 V CA -0.412 61.899 62.300 0.019 0.000 0.997 110 V CB 1.686 33.521 31.823 0.020 0.000 0.987 110 V HN 0.350 nan 8.190 nan 0.000 0.477 111 Q N 4.031 123.845 119.800 0.022 0.000 2.389 111 Q HA 0.294 4.634 4.340 -0.001 0.000 0.244 111 Q C -0.485 175.523 176.000 0.013 0.000 1.056 111 Q CA -0.133 55.685 55.803 0.025 0.000 0.908 111 Q CB 0.968 29.731 28.738 0.043 0.000 1.273 111 Q HN 0.527 nan 8.270 nan 0.000 0.471 112 V N 4.551 124.470 119.914 0.009 0.000 2.461 112 V HA 0.361 4.480 4.120 -0.001 0.000 0.275 112 V C 0.515 176.609 176.094 0.001 0.000 1.047 112 V CA -0.324 61.977 62.300 0.001 0.000 0.955 112 V CB 0.922 32.745 31.823 -0.001 0.000 0.988 112 V HN 0.578 nan 8.190 nan 0.000 0.471 113 I N 4.272 124.835 120.570 -0.013 0.000 2.420 113 I HA 0.456 4.626 4.170 -0.001 0.000 0.282 113 I C 0.531 176.642 176.117 -0.010 0.000 1.019 113 I CA -0.567 60.727 61.300 -0.010 0.000 1.130 113 I CB 1.583 39.560 38.000 -0.038 0.000 1.262 113 I HN 0.689 nan 8.210 nan 0.000 0.454 114 A N 5.352 128.173 122.820 0.001 0.000 2.476 114 A HA 0.678 4.997 4.320 -0.001 0.000 0.275 114 A C 0.547 178.134 177.584 0.004 0.000 1.133 114 A CA 0.503 52.541 52.037 0.003 0.000 0.797 114 A CB -0.260 18.743 19.000 0.006 0.000 1.081 114 A HN 0.966 nan 8.150 nan 0.000 0.510 115 G N 1.450 110.251 108.800 0.001 0.000 2.315 115 G HA2 0.436 4.396 3.960 -0.001 0.000 0.294 115 G HA3 0.436 4.396 3.960 -0.001 0.000 0.294 115 G C -1.184 173.715 174.900 -0.000 0.000 1.300 115 G CA -0.961 44.141 45.100 0.003 0.000 0.843 115 G HN 0.795 nan 8.290 nan 0.000 0.527 116 R N -0.083 120.419 120.500 0.003 0.000 2.393 116 R HA 0.628 4.968 4.340 -0.001 0.000 0.310 116 R C 0.169 176.468 176.300 -0.000 0.000 0.968 116 R CA -0.080 56.021 56.100 0.002 0.000 0.867 116 R CB 1.355 31.658 30.300 0.005 0.000 1.124 116 R HN 0.882 nan 8.270 nan 0.000 0.450 117 G N 2.045 110.842 108.800 -0.006 0.000 2.417 117 G HA2 0.389 4.349 3.960 -0.001 0.000 0.334 117 G HA3 0.389 4.349 3.960 -0.001 0.000 0.334 117 G C -1.188 173.712 174.900 0.001 0.000 1.150 117 G CA -0.375 44.720 45.100 -0.008 0.000 0.923 117 G HN 0.672 nan 8.290 nan 0.000 0.485 118 E N 0.856 121.061 120.200 0.008 0.000 2.392 118 E HA 0.328 4.678 4.350 -0.001 0.000 0.279 118 E C -1.543 175.065 176.600 0.014 0.000 0.964 118 E CA -0.845 55.559 56.400 0.008 0.000 0.777 118 E CB 1.746 31.452 29.700 0.009 0.000 1.249 118 E HN 0.321 nan 8.360 nan 0.000 0.449 119 L N 3.681 124.906 121.223 0.003 0.000 2.360 119 L HA 0.269 4.609 4.340 -0.001 0.000 0.276 119 L C 0.762 177.642 176.870 0.017 0.000 1.121 119 L CA 0.032 54.875 54.840 0.004 0.000 0.845 119 L CB 0.577 42.618 42.059 -0.030 0.000 1.143 119 L HN 0.594 nan 8.230 nan 0.000 0.452 120 I N -1.956 118.635 120.570 0.035 0.000 3.817 120 I HA 0.316 4.486 4.170 -0.001 0.000 0.325 120 I C -0.490 175.653 176.117 0.043 0.000 1.550 120 I CA -0.690 60.631 61.300 0.035 0.000 1.100 120 I CB 0.303 38.325 38.000 0.037 0.000 1.216 120 I HN 0.357 nan 8.210 nan 0.000 0.481 121 D N 2.266 122.699 120.400 0.055 0.000 2.648 121 D HA -0.068 4.572 4.640 -0.001 0.000 0.229 121 D C 1.389 177.718 176.300 0.048 0.000 1.119 121 D CA 0.561 54.603 54.000 0.070 0.000 0.850 121 D CB 1.297 42.159 40.800 0.104 0.000 1.169 121 D HN 0.211 nan 8.370 nan 0.000 0.489 122 S N 1.250 116.976 115.700 0.043 0.000 2.365 122 S HA -0.144 4.326 4.470 -0.001 0.000 0.221 122 S C 1.191 175.808 174.600 0.027 0.000 1.037 122 S CA 1.802 60.020 58.200 0.030 0.000 1.060 122 S CB -0.017 63.198 63.200 0.025 0.000 0.974 122 S HN 0.753 nan 8.310 nan 0.000 0.427 123 T N -1.746 112.826 114.554 0.031 0.000 2.870 123 T HA 0.586 4.936 4.350 -0.001 0.000 0.277 123 T C -2.583 172.139 174.700 0.037 0.000 1.000 123 T CA -1.320 60.796 62.100 0.027 0.000 0.982 123 T CB 1.331 70.212 68.868 0.023 0.000 1.249 123 T HN 0.014 nan 8.240 nan 0.000 0.589 124 P HA 0.314 nan 4.420 nan 0.000 0.264 124 P C 0.614 177.946 177.300 0.054 0.000 1.259 124 P CA -0.022 63.102 63.100 0.041 0.000 0.841 124 P CB 0.361 32.076 31.700 0.025 0.000 1.232 125 G N 0.245 109.071 108.800 0.043 0.000 4.420 125 G HA2 0.442 4.402 3.960 -0.001 0.000 0.299 125 G HA3 0.442 4.402 3.960 -0.001 0.000 0.299 125 G C -0.378 174.542 174.900 0.033 0.000 1.343 125 G CA -0.065 45.060 45.100 0.041 0.000 1.272 125 G HN 0.096 nan 8.290 nan 0.000 0.610 126 L N -0.131 121.118 121.223 0.044 0.000 2.334 126 L HA 0.646 4.985 4.340 -0.001 0.000 0.270 126 L C 1.567 178.369 176.870 -0.114 0.000 1.018 126 L CA -0.834 53.994 54.840 -0.020 0.000 0.811 126 L CB 1.684 43.729 42.059 -0.023 0.000 1.271 126 L HN 0.165 nan 8.230 nan 0.000 0.443 127 A N 1.640 124.373 122.820 -0.145 0.000 1.826 127 A HA -0.010 4.310 4.320 -0.001 0.000 0.214 127 A C 1.247 178.572 177.584 -0.432 0.000 1.212 127 A CA 0.737 52.656 52.037 -0.197 0.000 0.605 127 A CB -0.231 18.708 19.000 -0.101 0.000 0.861 127 A HN 0.742 nan 8.150 nan 0.000 0.447 128 R N 0.548 120.868 120.500 -0.301 0.000 2.389 128 R HA 0.239 4.579 4.340 -0.001 0.000 0.295 128 R C -0.730 175.375 176.300 -0.324 0.000 1.075 128 R CA -0.315 55.615 56.100 -0.282 0.000 1.005 128 R CB 0.181 30.419 30.300 -0.104 0.000 0.987 128 R HN 0.610 nan 8.270 nan 0.000 0.452 129 H N 3.019 122.110 119.070 0.036 0.000 2.570 129 H HA 0.454 5.009 4.556 -0.001 0.000 0.342 129 H C -0.338 175.015 175.328 0.041 0.000 1.245 129 H CA -0.726 55.344 56.048 0.036 0.000 1.318 129 H CB 1.196 30.981 29.762 0.039 0.000 1.694 129 H HN 0.459 nan 8.280 nan 0.000 0.592 130 R N 0.777 121.397 120.500 0.199 0.000 2.538 130 R HA 0.471 4.811 4.340 -0.001 0.000 0.292 130 R C -1.135 175.231 176.300 0.109 0.000 1.008 130 R CA -0.476 55.700 56.100 0.127 0.000 0.896 130 R CB 1.325 31.679 30.300 0.090 0.000 1.187 130 R HN 0.473 nan 8.270 nan 0.000 0.440 131 I N 2.603 123.244 120.570 0.118 0.000 2.646 131 I HA 0.397 4.567 4.170 -0.001 0.000 0.299 131 I C -0.568 175.623 176.117 0.123 0.000 1.036 131 I CA -0.822 60.534 61.300 0.093 0.000 1.074 131 I CB 2.277 40.317 38.000 0.066 0.000 1.258 131 I HN 0.381 nan 8.210 nan 0.000 0.430 132 K N 4.429 124.881 120.400 0.086 0.000 2.292 132 K HA 0.818 5.137 4.320 -0.001 0.000 0.257 132 K C -1.341 175.302 176.600 0.072 0.000 0.940 132 K CA -0.484 55.863 56.287 0.101 0.000 0.811 132 K CB 1.838 34.377 32.500 0.065 0.000 1.120 132 K HN 0.704 nan 8.250 nan 0.000 0.428 133 A N 2.939 125.816 122.820 0.095 0.000 2.304 133 A HA 0.485 4.804 4.320 -0.001 0.000 0.323 133 A C -0.854 176.759 177.584 0.048 0.000 1.195 133 A CA -0.590 51.471 52.037 0.039 0.000 0.826 133 A CB 1.286 20.289 19.000 0.005 0.000 1.184 133 A HN 0.692 nan 8.150 nan 0.000 0.496 134 T N 2.328 116.899 114.554 0.028 0.000 2.770 134 T HA 0.595 4.945 4.350 -0.001 0.000 0.283 134 T C 0.500 175.212 174.700 0.020 0.000 0.988 134 T CA 0.138 62.254 62.100 0.026 0.000 0.957 134 T CB 1.327 70.207 68.868 0.019 0.000 0.930 134 T HN 1.048 nan 8.240 nan 0.000 0.443 135 A N 2.231 125.065 122.820 0.023 0.000 2.296 135 A HA 0.723 5.042 4.320 -0.001 0.000 0.264 135 A C 1.638 179.229 177.584 0.013 0.000 1.097 135 A CA -0.053 51.995 52.037 0.018 0.000 0.811 135 A CB -0.133 18.880 19.000 0.021 0.000 1.072 135 A HN 0.976 nan 8.150 nan 0.000 0.495 136 A N -0.479 122.348 122.820 0.010 0.000 2.119 136 A HA 0.011 4.330 4.320 -0.001 0.000 0.216 136 A C 1.024 178.613 177.584 0.008 0.000 1.152 136 A CA 1.359 53.400 52.037 0.008 0.000 0.708 136 A CB -0.399 18.605 19.000 0.006 0.000 0.805 136 A HN 0.741 nan 8.150 nan 0.000 0.460 137 D N -0.719 119.687 120.400 0.009 0.000 2.363 137 D HA 0.154 4.794 4.640 -0.001 0.000 0.226 137 D C 1.464 177.770 176.300 0.009 0.000 1.020 137 D CA 1.027 55.033 54.000 0.009 0.000 0.892 137 D CB -0.055 40.752 40.800 0.011 0.000 0.900 137 D HN 0.583 nan 8.370 nan 0.000 0.531 138 G N 1.047 109.853 108.800 0.010 0.000 2.284 138 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.247 138 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.247 138 G C 0.704 175.612 174.900 0.014 0.000 1.012 138 G CA 0.461 45.567 45.100 0.010 0.000 0.618 138 G HN 0.474 nan 8.290 nan 0.000 0.521 139 S N 0.190 115.899 115.700 0.016 0.000 2.572 139 S HA 0.480 4.950 4.470 -0.001 0.000 0.262 139 S C 0.324 174.940 174.600 0.027 0.000 1.375 139 S CA 0.978 59.190 58.200 0.020 0.000 0.996 139 S CB 1.315 64.527 63.200 0.021 0.000 0.892 139 S HN 1.984 nan 8.310 nan 0.000 0.562 140 T N -2.235 112.338 114.554 0.031 0.000 3.041 140 T HA 0.634 4.984 4.350 -0.001 0.000 0.321 140 T C -0.794 173.936 174.700 0.050 0.000 1.184 140 T CA -0.740 61.386 62.100 0.043 0.000 1.050 140 T CB 1.300 70.190 68.868 0.036 0.000 1.159 140 T HN 0.975 nan 8.240 nan 0.000 0.469 141 S N 1.716 117.470 115.700 0.090 0.000 2.566 141 S HA 0.794 5.264 4.470 -0.001 0.000 0.298 141 S C -0.868 173.803 174.600 0.119 0.000 1.083 141 S CA -0.968 57.279 58.200 0.079 0.000 0.978 141 S CB 2.033 65.321 63.200 0.147 0.000 1.073 141 S HN 0.879 nan 8.310 nan 0.000 0.491 142 E N 0.550 120.738 120.200 -0.020 0.000 2.207 142 E HA 0.465 4.815 4.350 -0.001 0.000 0.270 142 E C -1.060 175.466 176.600 -0.122 0.000 0.927 142 E CA -0.820 55.606 56.400 0.044 0.000 0.799 142 E CB 1.205 30.911 29.700 0.010 0.000 1.172 142 E HN 0.683 nan 8.360 nan 0.000 0.404 143 H N 1.365 120.451 119.070 0.027 0.000 2.759 143 H HA 0.204 4.760 4.556 -0.001 0.000 0.354 143 H C -0.749 174.602 175.328 0.038 0.000 1.074 143 H CA -0.863 55.202 56.048 0.030 0.000 1.226 143 H CB 1.692 31.472 29.762 0.030 0.000 1.648 143 H HN 0.368 nan 8.280 nan 0.000 0.529 144 E N 1.519 121.793 120.200 0.123 0.000 2.343 144 E HA 0.502 4.852 4.350 -0.001 0.000 0.269 144 E C -0.460 176.205 176.600 0.108 0.000 1.047 144 E CA -0.515 55.940 56.400 0.092 0.000 0.874 144 E CB 1.868 31.598 29.700 0.050 0.000 1.033 144 E HN 0.666 nan 8.360 nan 0.000 0.409 145 A N 3.077 125.962 122.820 0.108 0.000 2.446 145 A HA 0.282 4.602 4.320 -0.001 0.000 0.282 145 A C 0.202 177.845 177.584 0.098 0.000 1.102 145 A CA -0.664 51.443 52.037 0.118 0.000 0.737 145 A CB 0.738 19.832 19.000 0.156 0.000 1.212 145 A HN 0.431 nan 8.150 nan 0.000 0.434 146 D N 0.778 121.218 120.400 0.067 0.000 2.103 146 D HA -0.001 4.638 4.640 -0.001 0.000 0.199 146 D C 0.490 176.854 176.300 0.108 0.000 0.978 146 D CA 1.780 55.806 54.000 0.042 0.000 0.829 146 D CB 0.298 41.112 40.800 0.025 0.000 0.981 146 D HN 0.326 nan 8.370 nan 0.000 0.464 147 V N 1.396 121.390 119.914 0.133 0.000 2.495 147 V HA 0.364 4.483 4.120 -0.001 0.000 0.298 147 V C 0.025 176.231 176.094 0.188 0.000 1.031 147 V CA -0.727 61.686 62.300 0.189 0.000 0.871 147 V CB 2.585 34.470 31.823 0.104 0.000 0.988 147 V HN -0.235 nan 8.190 nan 0.000 0.432 148 V N 5.392 125.448 119.914 0.236 0.000 2.604 148 V HA 0.536 4.656 4.120 -0.001 0.000 0.305 148 V C -0.777 175.409 176.094 0.153 0.000 1.043 148 V CA -0.623 61.765 62.300 0.146 0.000 0.888 148 V CB 1.923 33.792 31.823 0.076 0.000 0.995 148 V HN 0.689 nan 8.190 nan 0.000 0.429 149 L N 6.153 127.429 121.223 0.089 0.000 2.353 149 L HA 0.602 4.942 4.340 -0.001 0.000 0.270 149 L C -0.513 176.387 176.870 0.050 0.000 1.003 149 L CA -0.037 54.854 54.840 0.085 0.000 0.862 149 L CB 1.563 43.639 42.059 0.028 0.000 1.221 149 L HN 0.421 nan 8.230 nan 0.000 0.430 150 V N 5.496 125.441 119.914 0.052 0.000 2.397 150 V HA 0.517 4.637 4.120 -0.001 0.000 0.262 150 V C 0.864 176.976 176.094 0.030 0.000 1.047 150 V CA 0.508 62.826 62.300 0.030 0.000 1.003 150 V CB 0.640 32.476 31.823 0.022 0.000 1.037 150 V HN 0.921 nan 8.190 nan 0.000 0.480 151 A N 3.352 126.186 122.820 0.023 0.000 3.297 151 A HA 0.426 4.745 4.320 -0.001 0.000 0.304 151 A C 1.047 178.647 177.584 0.027 0.000 0.963 151 A CA 0.193 52.242 52.037 0.020 0.000 0.935 151 A CB 0.290 19.293 19.000 0.005 0.000 1.093 151 A HN 0.795 nan 8.150 nan 0.000 0.480 152 T N -2.623 111.952 114.554 0.035 0.000 3.107 152 T HA 0.442 4.792 4.350 -0.001 0.000 0.249 152 T C 1.262 175.993 174.700 0.052 0.000 1.096 152 T CA 0.884 63.008 62.100 0.039 0.000 1.012 152 T CB -0.311 68.578 68.868 0.034 0.000 0.977 152 T HN 2.021 nan 8.240 nan 0.000 0.527 153 G N 1.447 110.283 108.800 0.060 0.000 2.633 153 G HA2 0.195 4.155 3.960 -0.001 0.000 0.263 153 G HA3 0.195 4.155 3.960 -0.001 0.000 0.263 153 G C -0.041 174.918 174.900 0.098 0.000 1.310 153 G CA -0.294 44.852 45.100 0.077 0.000 0.914 153 G HN 1.326 nan 8.290 nan 0.000 0.569 154 A N -1.406 121.483 122.820 0.115 0.000 2.387 154 A HA 0.978 5.298 4.320 -0.001 0.000 0.298 154 A C 0.072 177.731 177.584 0.125 0.000 1.165 154 A CA 0.632 52.747 52.037 0.130 0.000 0.814 154 A CB 1.705 20.808 19.000 0.172 0.000 1.357 154 A HN 1.971 nan 8.150 nan 0.000 0.443 155 S N 0.454 116.222 115.700 0.112 0.000 2.549 155 S HA 0.658 5.127 4.470 -0.001 0.000 0.280 155 S C -2.959 171.691 174.600 0.083 0.000 1.109 155 S CA -1.066 57.182 58.200 0.079 0.000 0.905 155 S CB 1.658 64.872 63.200 0.023 0.000 1.081 155 S HN 0.487 nan 8.310 nan 0.000 0.477 156 P HA 0.023 nan 4.420 nan 0.000 0.261 156 P C -0.297 176.988 177.300 -0.024 0.000 1.173 156 P CA 0.051 63.093 63.100 -0.096 0.000 0.760 156 P CB 0.272 31.690 31.700 -0.470 0.000 0.783 157 R N 4.232 124.769 120.500 0.061 0.000 2.490 157 R HA 0.403 4.743 4.340 -0.001 0.000 0.280 157 R C -0.793 175.501 176.300 -0.010 0.000 1.077 157 R CA -0.043 56.078 56.100 0.035 0.000 1.065 157 R CB 0.209 30.554 30.300 0.075 0.000 1.003 157 R HN 0.400 nan 8.270 nan 0.000 0.470 158 I N 4.420 124.977 120.570 -0.021 0.000 2.466 158 I HA 0.203 4.372 4.170 -0.001 0.000 0.289 158 I C -0.911 175.192 176.117 -0.023 0.000 1.026 158 I CA -1.341 59.937 61.300 -0.037 0.000 1.078 158 I CB 1.990 39.958 38.000 -0.054 0.000 1.249 158 I HN 0.568 nan 8.210 nan 0.000 0.429 159 L N 10.073 131.283 121.223 -0.021 0.000 2.281 159 L HA 0.408 4.747 4.340 -0.001 0.000 0.285 159 L C -1.519 175.337 176.870 -0.024 0.000 1.074 159 L CA -1.454 53.376 54.840 -0.016 0.000 0.817 159 L CB 0.635 42.688 42.059 -0.010 0.000 1.168 159 L HN 0.331 nan 8.230 nan 0.000 0.434 160 P HA -0.120 nan 4.420 nan 0.000 0.225 160 P C 0.653 177.938 177.300 -0.025 0.000 1.148 160 P CA 0.944 64.029 63.100 -0.025 0.000 0.779 160 P CB 0.143 31.830 31.700 -0.022 0.000 0.780 161 S N -1.338 114.348 115.700 -0.023 0.000 2.710 161 S HA 0.473 4.943 4.470 -0.001 0.000 0.224 161 S C 0.962 175.545 174.600 -0.027 0.000 0.948 161 S CA -0.023 58.163 58.200 -0.024 0.000 0.949 161 S CB -0.349 62.838 63.200 -0.021 0.000 0.778 161 S HN 0.142 nan 8.310 nan 0.000 0.498 162 A N 1.045 123.847 122.820 -0.030 0.000 3.411 162 A HA 0.308 4.627 4.320 -0.001 0.000 0.238 162 A C -0.257 177.301 177.584 -0.043 0.000 1.140 162 A CA -0.626 51.390 52.037 -0.035 0.000 0.980 162 A CB 0.252 19.234 19.000 -0.030 0.000 1.371 162 A HN 0.315 nan 8.150 nan 0.000 0.700 163 Q N 1.278 121.051 119.800 -0.045 0.000 2.297 163 Q HA 0.219 4.558 4.340 -0.001 0.000 0.267 163 Q C -2.336 173.626 176.000 -0.063 0.000 1.006 163 Q CA -1.211 54.560 55.803 -0.053 0.000 0.896 163 Q CB 0.747 29.457 28.738 -0.047 0.000 1.186 163 Q HN 0.363 nan 8.270 nan 0.000 0.392 164 P HA -0.095 nan 4.420 nan 0.000 0.266 164 P C -0.114 177.137 177.300 -0.081 0.000 1.193 164 P CA 0.381 63.424 63.100 -0.095 0.000 0.770 164 P CB 0.499 32.121 31.700 -0.130 0.000 0.836 165 D N 0.162 120.516 120.400 -0.077 0.000 2.538 165 D HA 0.130 4.770 4.640 -0.001 0.000 0.241 165 D C 1.287 177.550 176.300 -0.061 0.000 1.297 165 D CA 0.313 54.275 54.000 -0.063 0.000 0.804 165 D CB -0.261 40.507 40.800 -0.053 0.000 1.122 165 D HN 0.536 nan 8.370 nan 0.000 0.519 166 G N 1.057 109.812 108.800 -0.075 0.000 2.396 166 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.242 166 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.242 166 G C 1.036 175.910 174.900 -0.044 0.000 1.069 166 G CA 0.732 45.790 45.100 -0.069 0.000 0.633 166 G HN 0.464 nan 8.290 nan 0.000 0.517 167 E N -0.606 119.577 120.200 -0.029 0.000 2.152 167 E HA 0.271 4.620 4.350 -0.001 0.000 0.195 167 E C 2.596 179.215 176.600 0.032 0.000 0.934 167 E CA 0.501 56.901 56.400 -0.000 0.000 0.869 167 E CB 0.183 29.874 29.700 -0.015 0.000 0.842 167 E HN 0.444 nan 8.360 nan 0.000 0.472 168 R N -0.248 120.239 120.500 -0.022 0.000 2.310 168 R HA 0.235 4.574 4.340 -0.001 0.000 0.199 168 R C 0.068 176.345 176.300 -0.038 0.000 0.891 168 R CA -0.022 56.044 56.100 -0.056 0.000 1.060 168 R CB 0.971 31.190 30.300 -0.135 0.000 1.188 168 R HN 0.039 nan 8.270 nan 0.000 0.607 169 I N 3.431 123.969 120.570 -0.053 0.000 2.297 169 I HA 0.298 4.467 4.170 -0.001 0.000 0.291 169 I C -0.339 175.729 176.117 -0.082 0.000 1.033 169 I CA -0.167 61.096 61.300 -0.063 0.000 1.253 169 I CB 0.728 38.689 38.000 -0.064 0.000 1.396 169 I HN 0.044 nan 8.210 nan 0.000 0.476 170 L N 5.808 126.971 121.223 -0.100 0.000 2.362 170 L HA 0.575 4.915 4.340 -0.001 0.000 0.271 170 L C 0.643 177.399 176.870 -0.189 0.000 1.002 170 L CA -0.703 54.045 54.840 -0.154 0.000 0.818 170 L CB 2.253 44.201 42.059 -0.185 0.000 1.298 170 L HN 0.568 nan 8.230 nan 0.000 0.420 171 T N -3.318 111.075 114.554 -0.267 0.000 2.912 171 T HA 0.187 4.536 4.350 -0.001 0.000 0.280 171 T C 0.823 175.289 174.700 -0.390 0.000 0.989 171 T CA -0.616 61.251 62.100 -0.388 0.000 0.995 171 T CB 1.097 69.600 68.868 -0.608 0.000 1.077 171 T HN 0.751 nan 8.240 nan 0.000 0.531 172 W N 0.671 121.856 121.300 -0.193 0.000 2.392 172 W HA 0.042 4.702 4.660 -0.001 0.000 0.279 172 W C 1.994 178.323 176.519 -0.317 0.000 1.225 172 W CA 0.335 57.482 57.345 -0.330 0.000 1.233 172 W CB -0.695 28.718 29.460 -0.079 0.000 1.122 172 W HN 0.589 nan 8.180 nan 0.000 0.561 173 R N 0.695 120.898 120.500 -0.494 0.000 2.120 173 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 173 R C 2.196 178.351 176.300 -0.242 0.000 1.123 173 R CA 2.005 57.978 56.100 -0.213 0.000 0.975 173 R CB -0.448 29.701 30.300 -0.251 0.000 0.866 173 R HN 0.445 nan 8.270 nan 0.000 0.446 174 Q N 0.277 119.879 119.800 -0.331 0.000 2.389 174 Q HA 0.011 4.350 4.340 -0.001 0.000 0.204 174 Q C 1.957 177.712 176.000 -0.408 0.000 0.944 174 Q CA 0.419 56.044 55.803 -0.296 0.000 0.908 174 Q CB 0.097 28.693 28.738 -0.236 0.000 1.002 174 Q HN 0.323 nan 8.270 nan 0.000 0.493 175 L N -0.165 120.674 121.223 -0.641 0.000 2.137 175 L HA -0.236 4.103 4.340 -0.001 0.000 0.213 175 L C 1.253 177.690 176.870 -0.722 0.000 1.085 175 L CA 1.305 55.708 54.840 -0.727 0.000 0.760 175 L CB -0.503 40.957 42.059 -0.998 0.000 0.893 175 L HN 0.320 nan 8.230 nan 0.000 0.434 176 Y N -1.330 118.660 120.300 -0.516 0.000 2.477 176 Y HA -0.017 4.533 4.550 -0.000 0.000 0.303 176 Y C 1.546 177.068 175.900 -0.630 0.000 1.202 176 Y CA -0.261 57.177 58.100 -1.102 0.000 1.282 176 Y CB -0.703 37.367 38.460 -0.649 0.000 1.071 176 Y HN 0.165 nan 8.280 nan 0.000 0.510 177 D N -0.164 120.128 120.400 -0.180 0.000 2.360 177 D HA 0.110 4.750 4.640 -0.001 0.000 0.210 177 D C 0.403 176.764 176.300 0.101 0.000 1.047 177 D CA 0.325 54.323 54.000 -0.003 0.000 0.854 177 D CB 0.335 41.113 40.800 -0.037 0.000 0.936 177 D HN 0.267 nan 8.370 nan 0.000 0.514 178 L N 1.041 122.365 121.223 0.169 0.000 2.417 178 L HA 0.177 4.517 4.340 -0.001 0.000 0.268 178 L C 1.021 178.044 176.870 0.255 0.000 1.158 178 L CA -0.044 54.914 54.840 0.196 0.000 0.819 178 L CB 0.926 43.069 42.059 0.140 0.000 1.112 178 L HN -0.265 nan 8.230 nan 0.000 0.458 179 D N 1.576 122.057 120.400 0.135 0.000 2.402 179 D HA 0.353 4.992 4.640 -0.001 0.000 0.216 179 D C -0.037 176.288 176.300 0.041 0.000 1.128 179 D CA 0.306 54.355 54.000 0.083 0.000 0.833 179 D CB 1.117 41.961 40.800 0.073 0.000 0.971 179 D HN 0.574 nan 8.370 nan 0.000 0.503 180 A N 0.351 123.201 122.820 0.050 0.000 2.589 180 A HA 0.457 4.777 4.320 -0.001 0.000 0.296 180 A C -0.772 176.839 177.584 0.045 0.000 1.062 180 A CA -0.646 51.416 52.037 0.043 0.000 0.686 180 A CB 0.887 19.922 19.000 0.058 0.000 1.282 180 A HN 0.050 nan 8.150 nan 0.000 0.404 181 L N 1.974 123.233 121.223 0.060 0.000 2.490 181 L HA 0.201 4.541 4.340 -0.001 0.000 0.274 181 L C -1.927 174.959 176.870 0.027 0.000 1.201 181 L CA -1.173 53.712 54.840 0.076 0.000 0.869 181 L CB 0.180 42.311 42.059 0.120 0.000 1.123 181 L HN 0.465 nan 8.230 nan 0.000 0.484 182 P HA 0.034 nan 4.420 nan 0.000 0.269 182 P C -0.304 177.056 177.300 0.100 0.000 1.215 182 P CA -0.140 62.945 63.100 -0.025 0.000 0.780 182 P CB 0.709 32.248 31.700 -0.269 0.000 0.898 183 D N -1.007 119.494 120.400 0.168 0.000 2.137 183 D HA -0.071 4.569 4.640 -0.001 0.000 0.202 183 D C 0.292 176.696 176.300 0.173 0.000 0.970 183 D CA 1.379 55.459 54.000 0.133 0.000 0.837 183 D CB -0.006 40.860 40.800 0.110 0.000 0.981 183 D HN 0.461 nan 8.370 nan 0.000 0.475 184 H N -0.520 118.586 119.070 0.059 0.000 3.177 184 H HA 0.268 4.823 4.556 -0.001 0.000 0.314 184 H C -1.462 173.885 175.328 0.032 0.000 1.059 184 H CA -0.987 55.081 56.048 0.033 0.000 1.515 184 H CB 0.620 30.397 29.762 0.024 0.000 1.672 184 H HN -0.082 nan 8.280 nan 0.000 0.514 185 L N 6.888 128.093 121.223 -0.029 0.000 2.281 185 L HA 0.348 4.688 4.340 -0.001 0.000 0.285 185 L C -0.892 175.823 176.870 -0.258 0.000 1.074 185 L CA -0.184 54.556 54.840 -0.168 0.000 0.817 185 L CB 0.325 42.247 42.059 -0.228 0.000 1.168 185 L HN 0.534 nan 8.230 nan 0.000 0.434 186 I N 6.323 126.745 120.570 -0.247 0.000 2.339 186 I HA 0.297 4.466 4.170 -0.001 0.000 0.290 186 I C -0.613 175.441 176.117 -0.104 0.000 0.994 186 I CA -0.790 60.392 61.300 -0.197 0.000 1.191 186 I CB 1.643 39.541 38.000 -0.170 0.000 1.343 186 I HN 0.231 nan 8.210 nan 0.000 0.458 187 V N 7.507 127.385 119.914 -0.059 0.000 2.357 187 V HA 0.260 4.380 4.120 -0.001 0.000 0.284 187 V C 0.107 176.213 176.094 0.020 0.000 1.018 187 V CA -0.582 61.709 62.300 -0.014 0.000 0.841 187 V CB 2.098 33.926 31.823 0.008 0.000 0.991 187 V HN 0.416 nan 8.190 nan 0.000 0.437 188 V N 4.605 124.538 119.914 0.032 0.000 2.364 188 V HA 0.848 4.968 4.120 -0.001 0.000 0.272 188 V C 0.602 176.738 176.094 0.070 0.000 1.036 188 V CA 0.335 62.664 62.300 0.048 0.000 0.880 188 V CB 0.814 32.657 31.823 0.034 0.000 0.991 188 V HN 1.198 nan 8.190 nan 0.000 0.460 189 G N 3.705 112.548 108.800 0.072 0.000 3.435 189 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.683 189 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.683 189 G C -0.365 174.584 174.900 0.082 0.000 1.189 189 G CA -0.429 44.719 45.100 0.081 0.000 1.069 189 G HN 1.117 nan 8.290 nan 0.000 0.508 190 S N 0.937 116.685 115.700 0.081 0.000 2.523 190 S HA 0.930 5.400 4.470 -0.001 0.000 0.275 190 S C 0.801 175.452 174.600 0.086 0.000 1.281 190 S CA 0.357 58.609 58.200 0.085 0.000 1.050 190 S CB 2.260 65.520 63.200 0.100 0.000 0.937 190 S HN 2.347 nan 8.310 nan 0.000 0.492 191 G N 0.736 109.587 108.800 0.086 0.000 2.441 191 G HA2 0.382 4.341 3.960 -0.001 0.000 0.294 191 G HA3 0.382 4.341 3.960 -0.001 0.000 0.294 191 G C 0.026 174.969 174.900 0.072 0.000 1.393 191 G CA -0.296 44.849 45.100 0.075 0.000 0.796 191 G HN 0.616 nan 8.290 nan 0.000 0.494 192 V N 0.347 120.293 119.914 0.054 0.000 2.343 192 V HA -0.104 4.016 4.120 -0.001 0.000 0.247 192 V C 3.147 179.238 176.094 -0.006 0.000 1.051 192 V CA 2.995 65.318 62.300 0.038 0.000 1.036 192 V CB -0.474 31.366 31.823 0.028 0.000 0.654 192 V HN 1.032 nan 8.190 nan 0.000 0.451 193 T N -1.020 113.505 114.554 -0.048 0.000 3.067 193 T HA 0.046 4.396 4.350 -0.001 0.000 0.261 193 T C 1.727 176.464 174.700 0.062 0.000 1.110 193 T CA 1.352 63.391 62.100 -0.101 0.000 1.113 193 T CB 0.047 68.739 68.868 -0.294 0.000 0.917 193 T HN 0.474 nan 8.240 nan 0.000 0.499 194 G N 0.489 109.347 108.800 0.096 0.000 2.426 194 G HA2 0.269 4.228 3.960 -0.001 0.000 0.214 194 G HA3 0.269 4.228 3.960 -0.001 0.000 0.214 194 G C 1.901 176.879 174.900 0.130 0.000 1.156 194 G CA 0.550 45.748 45.100 0.163 0.000 0.802 194 G HN 0.626 nan 8.290 nan 0.000 0.534 195 A N 1.242 124.119 122.820 0.095 0.000 1.908 195 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 195 A C 2.115 179.798 177.584 0.165 0.000 1.181 195 A CA 2.003 54.117 52.037 0.129 0.000 0.627 195 A CB -0.429 18.684 19.000 0.190 0.000 0.818 195 A HN 0.442 nan 8.150 nan 0.000 0.445 196 E N -1.329 118.912 120.200 0.068 0.000 2.077 196 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 196 E C 1.685 178.290 176.600 0.009 0.000 0.989 196 E CA 1.327 57.720 56.400 -0.011 0.000 0.800 196 E CB -0.274 29.316 29.700 -0.184 0.000 0.746 196 E HN 0.678 nan 8.360 nan 0.000 0.452 197 F N 0.210 120.249 119.950 0.148 0.000 2.206 197 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 197 F C 2.260 178.218 175.800 0.262 0.000 1.090 197 F CA 0.479 58.605 58.000 0.210 0.000 1.323 197 F CB -0.625 38.512 39.000 0.228 0.000 1.028 197 F HN -0.133 nan 8.300 nan 0.000 0.492 198 V N 0.109 120.212 119.914 0.314 0.000 2.287 198 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 198 V C 2.389 178.608 176.094 0.209 0.000 1.053 198 V CA 2.303 64.696 62.300 0.155 0.000 1.027 198 V CB -0.504 31.220 31.823 -0.164 0.000 0.646 198 V HN 0.309 nan 8.190 nan 0.000 0.447 199 D N 0.092 120.658 120.400 0.276 0.000 2.084 199 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 199 D C 2.198 178.641 176.300 0.239 0.000 0.990 199 D CA 1.821 56.044 54.000 0.371 0.000 0.826 199 D CB -0.047 40.987 40.800 0.390 0.000 0.971 199 D HN 0.369 nan 8.370 nan 0.000 0.453 200 A N -0.246 122.699 122.820 0.209 0.000 1.865 200 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 200 A C 2.305 179.968 177.584 0.131 0.000 1.191 200 A CA 1.585 53.702 52.037 0.135 0.000 0.623 200 A CB -1.364 17.762 19.000 0.211 0.000 0.826 200 A HN 0.370 nan 8.150 nan 0.000 0.444 201 Y N 0.501 120.996 120.300 0.324 0.000 2.224 201 Y HA -0.138 4.412 4.550 -0.000 0.000 0.289 201 Y C 2.948 178.941 175.900 0.157 0.000 1.146 201 Y CA 1.690 59.940 58.100 0.250 0.000 1.182 201 Y CB -0.998 37.590 38.460 0.212 0.000 0.983 201 Y HN 0.276 nan 8.280 nan 0.000 0.524 202 T N -0.386 114.335 114.554 0.278 0.000 2.833 202 T HA -0.141 4.209 4.350 -0.001 0.000 0.269 202 T C 1.657 176.446 174.700 0.148 0.000 1.054 202 T CA 1.340 63.557 62.100 0.195 0.000 1.135 202 T CB -0.077 68.911 68.868 0.200 0.000 0.869 202 T HN 0.287 nan 8.240 nan 0.000 0.466 203 E N 0.884 121.161 120.200 0.127 0.000 2.216 203 E HA 0.125 4.475 4.350 -0.001 0.000 0.192 203 E C 1.867 178.495 176.600 0.046 0.000 0.988 203 E CA 0.400 56.840 56.400 0.066 0.000 0.834 203 E CB -0.155 29.563 29.700 0.030 0.000 0.772 203 E HN 0.455 nan 8.360 nan 0.000 0.479 204 L N -0.039 121.226 121.223 0.070 0.000 2.650 204 L HA 0.058 4.398 4.340 -0.001 0.000 0.235 204 L C 1.165 178.092 176.870 0.095 0.000 1.149 204 L CA 0.517 55.395 54.840 0.063 0.000 0.887 204 L CB -0.281 41.838 42.059 0.100 0.000 1.021 204 L HN 0.233 nan 8.230 nan 0.000 0.441 205 G N -0.252 108.608 108.800 0.100 0.000 2.157 205 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.248 205 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.248 205 G C 0.226 175.193 174.900 0.112 0.000 0.979 205 G CA 0.074 45.229 45.100 0.092 0.000 0.650 205 G HN 0.124 nan 8.290 nan 0.000 0.529 206 V N 1.467 121.477 119.914 0.159 0.000 2.583 206 V HA 0.443 4.563 4.120 -0.001 0.000 0.287 206 V C -1.470 174.707 176.094 0.140 0.000 1.051 206 V CA -1.310 61.084 62.300 0.156 0.000 1.010 206 V CB 1.508 33.452 31.823 0.202 0.000 0.988 206 V HN 0.097 nan 8.190 nan 0.000 0.478 207 P HA 0.360 nan 4.420 nan 0.000 0.280 207 P C -1.101 176.315 177.300 0.193 0.000 1.244 207 P CA -0.034 63.149 63.100 0.138 0.000 0.784 207 P CB 0.924 32.685 31.700 0.102 0.000 0.913 208 V N 3.026 123.028 119.914 0.146 0.000 2.709 208 V HA 0.483 4.603 4.120 -0.001 0.000 0.308 208 V C -0.253 175.875 176.094 0.056 0.000 1.062 208 V CA -0.386 61.962 62.300 0.080 0.000 0.901 208 V CB 2.457 34.303 31.823 0.039 0.000 1.003 208 V HN 0.414 nan 8.190 nan 0.000 0.425 209 T N 3.470 118.020 114.554 -0.006 0.000 2.847 209 T HA 0.551 4.900 4.350 -0.001 0.000 0.291 209 T C -0.459 174.210 174.700 -0.051 0.000 0.998 209 T CA -0.373 61.708 62.100 -0.032 0.000 0.967 209 T CB 1.474 70.357 68.868 0.024 0.000 0.954 209 T HN 0.388 nan 8.240 nan 0.000 0.441 210 V N 3.452 123.328 119.914 -0.064 0.000 2.481 210 V HA 0.462 4.581 4.120 -0.001 0.000 0.286 210 V C 0.095 176.239 176.094 0.082 0.000 1.042 210 V CA -0.797 61.495 62.300 -0.013 0.000 0.928 210 V CB 1.775 33.568 31.823 -0.050 0.000 0.986 210 V HN 0.665 nan 8.190 nan 0.000 0.462 211 V N 4.265 124.254 119.914 0.125 0.000 2.239 211 V HA 0.574 4.693 4.120 -0.001 0.000 0.267 211 V C 0.568 176.733 176.094 0.117 0.000 1.056 211 V CA -0.401 62.013 62.300 0.189 0.000 0.830 211 V CB 0.906 32.823 31.823 0.156 0.000 1.090 211 V HN 0.993 nan 8.190 nan 0.000 0.459 212 A N 3.145 126.035 122.820 0.116 0.000 2.331 212 A HA 0.597 4.917 4.320 -0.001 0.000 0.283 212 A C 1.230 178.869 177.584 0.092 0.000 1.142 212 A CA -0.088 52.006 52.037 0.095 0.000 0.812 212 A CB 0.796 19.852 19.000 0.093 0.000 1.074 212 A HN 0.746 nan 8.150 nan 0.000 0.497 213 S N 1.293 117.041 115.700 0.081 0.000 2.436 213 S HA -0.004 4.465 4.470 -0.001 0.000 0.228 213 S C 0.950 175.596 174.600 0.077 0.000 1.014 213 S CA 0.684 58.926 58.200 0.070 0.000 0.950 213 S CB -0.121 63.116 63.200 0.062 0.000 0.784 213 S HN 0.763 nan 8.310 nan 0.000 0.504 214 Q N 0.836 120.693 119.800 0.094 0.000 2.448 214 Q HA 0.394 4.734 4.340 -0.001 0.000 0.192 214 Q C 0.683 176.764 176.000 0.135 0.000 1.001 214 Q CA -0.514 55.355 55.803 0.110 0.000 1.018 214 Q CB 0.120 28.929 28.738 0.117 0.000 1.290 214 Q HN -0.097 nan 8.270 nan 0.000 0.517 215 D N -0.967 119.547 120.400 0.189 0.000 2.178 215 D HA -0.058 4.581 4.640 -0.001 0.000 0.202 215 D C -0.289 176.093 176.300 0.135 0.000 0.974 215 D CA 1.243 55.359 54.000 0.194 0.000 0.841 215 D CB 0.198 41.199 40.800 0.335 0.000 0.953 215 D HN 0.298 nan 8.370 nan 0.000 0.478 216 H N -2.380 116.741 119.070 0.084 0.000 2.834 216 H HA 0.320 4.875 4.556 -0.001 0.000 0.369 216 H C 1.153 176.542 175.328 0.103 0.000 1.174 216 H CA -0.789 55.322 56.048 0.105 0.000 1.165 216 H CB 1.435 31.275 29.762 0.130 0.000 1.820 216 H HN -0.375 nan 8.280 nan 0.000 0.558 217 V N 0.569 120.629 119.914 0.244 0.000 2.295 217 V HA -0.123 3.996 4.120 -0.001 0.000 0.246 217 V C 0.927 177.131 176.094 0.184 0.000 1.049 217 V CA 1.398 63.772 62.300 0.122 0.000 1.024 217 V CB -0.160 31.636 31.823 -0.045 0.000 0.648 217 V HN 0.505 nan 8.190 nan 0.000 0.447 218 L N 3.454 124.856 121.223 0.298 0.000 2.387 218 L HA 0.402 4.742 4.340 -0.001 0.000 0.259 218 L C -2.485 174.502 176.870 0.195 0.000 1.050 218 L CA -1.667 53.321 54.840 0.247 0.000 0.922 218 L CB 1.558 43.786 42.059 0.282 0.000 1.280 218 L HN 0.173 nan 8.230 nan 0.000 0.449 219 P HA 0.152 nan 4.420 nan 0.000 0.275 219 P C -1.680 175.676 177.300 0.094 0.000 1.227 219 P CA 0.130 63.241 63.100 0.017 0.000 0.781 219 P CB 1.220 32.944 31.700 0.040 0.000 0.906 220 Y N -0.098 120.125 120.300 -0.129 0.000 2.513 220 Y HA 0.166 4.715 4.550 -0.001 0.000 0.340 220 Y C 1.449 177.313 175.900 -0.060 0.000 1.055 220 Y CA -0.701 57.358 58.100 -0.069 0.000 1.020 220 Y CB 1.866 40.297 38.460 -0.049 0.000 1.301 220 Y HN 0.435 nan 8.280 nan 0.000 0.453 221 E N 1.907 121.588 120.200 -0.864 0.000 2.033 221 E HA -0.228 4.122 4.350 -0.001 0.000 0.199 221 E C -0.008 176.431 176.600 -0.267 0.000 1.011 221 E CA 1.592 57.691 56.400 -0.503 0.000 0.815 221 E CB -0.030 29.373 29.700 -0.495 0.000 0.755 221 E HN 0.636 nan 8.360 nan 0.000 0.451 222 D N -1.103 119.172 120.400 -0.209 0.000 2.317 222 D HA 0.061 4.701 4.640 -0.001 0.000 0.252 222 D C 0.622 177.021 176.300 0.164 0.000 1.174 222 D CA 0.355 54.412 54.000 0.095 0.000 0.866 222 D CB 1.451 42.419 40.800 0.280 0.000 1.127 222 D HN 0.261 nan 8.370 nan 0.000 0.467 223 A N 4.979 127.853 122.820 0.091 0.000 1.851 223 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 223 A C 1.727 179.386 177.584 0.124 0.000 1.195 223 A CA 1.484 53.571 52.037 0.082 0.000 0.622 223 A CB -0.280 18.747 19.000 0.045 0.000 0.831 223 A HN 0.727 nan 8.150 nan 0.000 0.444 224 D N -0.014 120.456 120.400 0.117 0.000 2.158 224 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 224 D C 2.209 178.692 176.300 0.304 0.000 0.995 224 D CA 1.597 55.668 54.000 0.118 0.000 0.846 224 D CB -0.268 40.464 40.800 -0.112 0.000 0.941 224 D HN 0.486 nan 8.370 nan 0.000 0.456 225 A N 1.551 124.606 122.820 0.391 0.000 1.873 225 A HA -0.017 4.303 4.320 -0.001 0.000 0.215 225 A C 2.447 180.105 177.584 0.124 0.000 1.186 225 A CA 2.096 54.292 52.037 0.264 0.000 0.616 225 A CB -0.797 18.314 19.000 0.185 0.000 0.823 225 A HN 0.232 nan 8.150 nan 0.000 0.442 226 A N -0.240 122.687 122.820 0.178 0.000 1.903 226 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 226 A C 2.256 179.913 177.584 0.121 0.000 1.191 226 A CA 1.831 53.943 52.037 0.126 0.000 0.638 226 A CB -0.806 18.238 19.000 0.073 0.000 0.823 226 A HN 0.540 nan 8.150 nan 0.000 0.451 227 L N -0.533 120.767 121.223 0.128 0.000 2.017 227 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 227 L C 2.569 179.461 176.870 0.036 0.000 1.073 227 L CA 1.569 56.471 54.840 0.105 0.000 0.745 227 L CB -0.330 41.785 42.059 0.094 0.000 0.894 227 L HN 0.292 nan 8.230 nan 0.000 0.432 228 V N 0.104 120.040 119.914 0.036 0.000 2.324 228 V HA -0.366 3.754 4.120 -0.001 0.000 0.250 228 V C 2.337 178.349 176.094 -0.137 0.000 1.060 228 V CA 2.058 64.335 62.300 -0.038 0.000 1.042 228 V CB -0.387 31.438 31.823 0.003 0.000 0.650 228 V HN 0.393 nan 8.190 nan 0.000 0.450 229 L N -0.749 120.385 121.223 -0.149 0.000 2.131 229 L HA -0.110 4.230 4.340 -0.001 0.000 0.206 229 L C 2.574 179.262 176.870 -0.305 0.000 1.087 229 L CA 1.473 56.118 54.840 -0.326 0.000 0.767 229 L CB -0.343 41.514 42.059 -0.337 0.000 0.917 229 L HN 0.397 nan 8.230 nan 0.000 0.441 230 E N 0.039 120.225 120.200 -0.025 0.000 2.049 230 E HA -0.274 4.076 4.350 -0.001 0.000 0.198 230 E C 1.990 178.602 176.600 0.020 0.000 1.007 230 E CA 1.470 57.931 56.400 0.102 0.000 0.809 230 E CB 0.120 29.920 29.700 0.168 0.000 0.749 230 E HN 0.323 nan 8.360 nan 0.000 0.450 231 E N 0.264 120.444 120.200 -0.033 0.000 2.130 231 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 231 E C 2.107 178.658 176.600 -0.082 0.000 0.998 231 E CA 1.078 57.442 56.400 -0.059 0.000 0.806 231 E CB -0.447 29.187 29.700 -0.110 0.000 0.738 231 E HN 0.159 nan 8.360 nan 0.000 0.459 232 S N -0.213 115.391 115.700 -0.160 0.000 2.338 232 S HA -0.126 4.344 4.470 -0.001 0.000 0.218 232 S C 1.838 176.396 174.600 -0.070 0.000 1.032 232 S CA 0.863 58.957 58.200 -0.176 0.000 0.999 232 S CB -0.248 62.771 63.200 -0.301 0.000 0.905 232 S HN 0.106 nan 8.310 nan 0.000 0.439 233 F N 2.197 122.151 119.950 0.007 0.000 2.126 233 F HA 0.019 4.545 4.527 -0.001 0.000 0.299 233 F C 2.684 178.490 175.800 0.010 0.000 1.096 233 F CA 0.599 58.610 58.000 0.019 0.000 1.255 233 F CB -1.367 37.651 39.000 0.030 0.000 0.997 233 F HN 0.295 nan 8.300 nan 0.000 0.479 234 A N -0.227 122.702 122.820 0.182 0.000 1.902 234 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 234 A C 2.149 179.771 177.584 0.063 0.000 1.181 234 A CA 1.856 53.950 52.037 0.096 0.000 0.623 234 A CB -0.812 18.221 19.000 0.055 0.000 0.818 234 A HN 0.405 nan 8.150 nan 0.000 0.443 235 E N -0.353 119.874 120.200 0.044 0.000 2.031 235 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 235 E C 1.945 178.575 176.600 0.051 0.000 0.994 235 E CA 1.123 57.543 56.400 0.033 0.000 0.800 235 E CB -0.175 29.533 29.700 0.013 0.000 0.752 235 E HN 0.504 nan 8.360 nan 0.000 0.447 236 R N -0.063 120.480 120.500 0.071 0.000 2.395 236 R HA -0.004 4.336 4.340 -0.001 0.000 0.203 236 R C 0.896 177.249 176.300 0.087 0.000 1.076 236 R CA 0.521 56.672 56.100 0.085 0.000 1.059 236 R CB -0.263 30.106 30.300 0.115 0.000 0.860 236 R HN 0.314 nan 8.270 nan 0.000 0.476 237 G N 0.592 109.437 108.800 0.075 0.000 2.160 237 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.251 237 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.251 237 G C 0.248 175.177 174.900 0.049 0.000 1.008 237 G CA 0.075 45.207 45.100 0.054 0.000 0.724 237 G HN 0.182 nan 8.290 nan 0.000 0.514 238 V N 0.380 120.338 119.914 0.072 0.000 2.655 238 V HA 0.267 4.387 4.120 -0.001 0.000 0.300 238 V C 1.268 177.352 176.094 -0.017 0.000 1.044 238 V CA 0.247 62.561 62.300 0.023 0.000 1.095 238 V CB 1.068 32.883 31.823 -0.014 0.000 0.952 238 V HN 0.442 nan 8.190 nan 0.000 0.485 239 R N 4.496 124.964 120.500 -0.053 0.000 2.312 239 R HA 0.738 5.077 4.340 -0.001 0.000 0.311 239 R C -0.719 175.473 176.300 -0.180 0.000 1.004 239 R CA -0.512 55.517 56.100 -0.119 0.000 0.902 239 R CB 1.154 31.381 30.300 -0.123 0.000 1.073 239 R HN 0.758 nan 8.270 nan 0.000 0.457 240 L N -0.109 120.984 121.223 -0.218 0.000 2.445 240 L HA 0.634 4.974 4.340 -0.001 0.000 0.262 240 L C -1.445 175.285 176.870 -0.234 0.000 0.974 240 L CA -0.931 53.791 54.840 -0.196 0.000 0.822 240 L CB 1.742 43.758 42.059 -0.071 0.000 1.339 240 L HN 0.358 nan 8.230 nan 0.000 0.409 241 F N 1.789 121.746 119.950 0.012 0.000 2.361 241 F HA 0.531 5.057 4.527 -0.001 0.000 0.364 241 F C 0.447 176.255 175.800 0.013 0.000 1.120 241 F CA -0.434 57.573 58.000 0.013 0.000 1.102 241 F CB 1.435 40.443 39.000 0.012 0.000 1.183 241 F HN 0.466 nan 8.300 nan 0.000 0.476 242 K N 2.634 123.134 120.400 0.166 0.000 2.258 242 K HA 0.167 4.486 4.320 -0.001 0.000 0.264 242 K C 0.373 177.038 176.600 0.109 0.000 1.007 242 K CA -0.370 55.981 56.287 0.108 0.000 0.941 242 K CB 0.225 32.763 32.500 0.064 0.000 0.966 242 K HN 0.513 nan 8.250 nan 0.000 0.480 243 N N -0.500 118.253 118.700 0.088 0.000 2.705 243 N HA -0.235 4.505 4.740 -0.001 0.000 0.255 243 N C -1.361 174.182 175.510 0.055 0.000 1.008 243 N CA 1.212 54.302 53.050 0.068 0.000 0.742 243 N CB -1.123 37.397 38.487 0.056 0.000 0.906 243 N HN 0.635 nan 8.380 nan 0.000 0.541 244 A N 0.305 123.162 122.820 0.061 0.000 2.475 244 A HA 0.821 5.140 4.320 -0.001 0.000 0.301 244 A C -0.101 177.500 177.584 0.028 0.000 1.059 244 A CA -0.797 51.256 52.037 0.028 0.000 0.710 244 A CB 1.859 20.864 19.000 0.008 0.000 1.288 244 A HN 0.228 nan 8.150 nan 0.000 0.408 245 R N 0.570 121.073 120.500 0.006 0.000 2.740 245 R HA 0.677 5.016 4.340 -0.001 0.000 0.282 245 R C -0.401 175.894 176.300 -0.009 0.000 0.969 245 R CA -0.696 55.410 56.100 0.010 0.000 0.918 245 R CB 2.272 32.578 30.300 0.010 0.000 1.175 245 R HN 0.831 nan 8.270 nan 0.000 0.464 246 A N 1.501 124.320 122.820 -0.002 0.000 2.350 246 A HA 0.408 4.728 4.320 -0.001 0.000 0.293 246 A C 1.091 178.664 177.584 -0.018 0.000 1.231 246 A CA -0.088 51.940 52.037 -0.016 0.000 0.883 246 A CB 0.546 19.542 19.000 -0.006 0.000 1.133 246 A HN 0.949 nan 8.150 nan 0.000 0.533 247 A N 2.562 125.365 122.820 -0.029 0.000 2.015 247 A HA 0.331 4.651 4.320 -0.001 0.000 0.219 247 A C 1.238 178.808 177.584 -0.024 0.000 1.163 247 A CA 1.594 53.616 52.037 -0.026 0.000 0.646 247 A CB -0.376 18.605 19.000 -0.033 0.000 0.806 247 A HN 2.151 nan 8.150 nan 0.000 0.448 248 S N -3.336 112.348 115.700 -0.027 0.000 2.645 248 S HA 0.452 4.922 4.470 -0.001 0.000 0.268 248 S C -1.566 173.017 174.600 -0.028 0.000 1.110 248 S CA -0.249 57.935 58.200 -0.026 0.000 0.823 248 S CB 0.900 64.084 63.200 -0.027 0.000 1.091 248 S HN 0.593 nan 8.310 nan 0.000 0.466 249 V N 2.368 122.264 119.914 -0.030 0.000 2.445 249 V HA 0.540 4.660 4.120 -0.001 0.000 0.283 249 V C -0.156 175.916 176.094 -0.036 0.000 1.014 249 V CA -0.274 62.006 62.300 -0.033 0.000 0.852 249 V CB 1.229 33.031 31.823 -0.035 0.000 1.021 249 V HN 1.042 nan 8.190 nan 0.000 0.435 250 T N 4.071 118.604 114.554 -0.035 0.000 2.934 250 T HA 0.508 4.858 4.350 -0.001 0.000 0.283 250 T C 0.031 174.707 174.700 -0.040 0.000 1.005 250 T CA -0.560 61.519 62.100 -0.035 0.000 1.041 250 T CB 1.371 70.221 68.868 -0.030 0.000 1.042 250 T HN 0.509 nan 8.240 nan 0.000 0.505 251 R N 1.523 121.999 120.500 -0.041 0.000 2.255 251 R HA 0.442 4.782 4.340 -0.001 0.000 0.326 251 R C 0.704 176.979 176.300 -0.042 0.000 0.986 251 R CA -0.350 55.722 56.100 -0.047 0.000 0.847 251 R CB 0.559 30.830 30.300 -0.048 0.000 1.111 251 R HN 0.915 nan 8.270 nan 0.000 0.452 252 T N 0.239 114.766 114.554 -0.044 0.000 2.902 252 T HA 0.367 4.717 4.350 -0.001 0.000 0.287 252 T C 1.486 176.164 174.700 -0.038 0.000 1.048 252 T CA -0.194 61.885 62.100 -0.035 0.000 0.941 252 T CB 0.903 69.754 68.868 -0.029 0.000 1.432 252 T HN 0.491 nan 8.240 nan 0.000 0.586 253 G N 0.706 109.488 108.800 -0.030 0.000 2.912 253 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.214 253 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.214 253 G C 1.470 176.348 174.900 -0.038 0.000 1.341 253 G CA 1.517 46.600 45.100 -0.028 0.000 0.794 253 G HN 1.317 nan 8.290 nan 0.000 0.691 254 A N -0.799 121.996 122.820 -0.041 0.000 2.343 254 A HA 0.642 4.962 4.320 -0.001 0.000 0.223 254 A C 1.501 179.029 177.584 -0.092 0.000 1.214 254 A CA 1.185 53.188 52.037 -0.057 0.000 0.900 254 A CB 0.188 19.164 19.000 -0.040 0.000 0.942 254 A HN 0.851 nan 8.150 nan 0.000 0.507 255 G N -1.161 107.590 108.800 -0.082 0.000 3.310 255 G HA2 0.506 4.466 3.960 -0.001 0.000 0.176 255 G HA3 0.506 4.466 3.960 -0.001 0.000 0.176 255 G C -0.876 173.959 174.900 -0.109 0.000 1.307 255 G CA 0.039 45.072 45.100 -0.112 0.000 0.935 255 G HN 0.404 nan 8.290 nan 0.000 0.628 256 V N -0.146 119.719 119.914 -0.082 0.000 2.851 256 V HA 0.473 4.593 4.120 -0.001 0.000 0.307 256 V C -1.596 174.474 176.094 -0.041 0.000 1.129 256 V CA -0.568 61.690 62.300 -0.069 0.000 0.932 256 V CB 2.185 33.955 31.823 -0.088 0.000 1.024 256 V HN 0.591 nan 8.190 nan 0.000 0.426 257 L N 6.528 127.730 121.223 -0.034 0.000 2.277 257 L HA 0.651 4.991 4.340 -0.001 0.000 0.284 257 L C -0.540 176.315 176.870 -0.025 0.000 1.028 257 L CA 0.121 54.948 54.840 -0.022 0.000 0.835 257 L CB 1.426 43.472 42.059 -0.020 0.000 1.215 257 L HN 0.437 nan 8.230 nan 0.000 0.425 258 V N 4.316 124.218 119.914 -0.020 0.000 2.432 258 V HA 0.497 4.617 4.120 -0.001 0.000 0.275 258 V C 0.224 176.294 176.094 -0.040 0.000 1.043 258 V CA -0.276 62.009 62.300 -0.025 0.000 0.925 258 V CB 1.418 33.234 31.823 -0.011 0.000 0.985 258 V HN 0.834 nan 8.190 nan 0.000 0.466 259 T N 6.948 121.473 114.554 -0.048 0.000 2.812 259 T HA 0.615 4.965 4.350 -0.001 0.000 0.282 259 T C -0.241 174.415 174.700 -0.072 0.000 0.990 259 T CA -0.500 61.561 62.100 -0.064 0.000 0.960 259 T CB 1.202 70.040 68.868 -0.049 0.000 0.948 259 T HN 0.680 nan 8.240 nan 0.000 0.438 260 M N 0.959 120.495 119.600 -0.106 0.000 2.578 260 M HA 0.450 4.930 4.480 -0.001 0.000 0.321 260 M C 1.550 177.802 176.300 -0.080 0.000 1.182 260 M CA -0.930 54.312 55.300 -0.095 0.000 0.965 260 M CB 1.031 33.552 32.600 -0.131 0.000 1.694 260 M HN 0.593 nan 8.290 nan 0.000 0.461 261 T N -2.391 112.129 114.554 -0.055 0.000 2.883 261 T HA -0.244 4.105 4.350 -0.001 0.000 0.266 261 T C 0.787 175.460 174.700 -0.045 0.000 1.103 261 T CA 2.087 64.162 62.100 -0.041 0.000 1.125 261 T CB -1.072 67.780 68.868 -0.027 0.000 0.819 261 T HN 0.885 nan 8.240 nan 0.000 0.536 262 D N 0.055 120.417 120.400 -0.063 0.000 2.350 262 D HA 0.278 4.918 4.640 -0.001 0.000 0.213 262 D C 1.759 178.021 176.300 -0.063 0.000 1.031 262 D CA 0.698 54.662 54.000 -0.060 0.000 0.861 262 D CB -0.509 40.249 40.800 -0.070 0.000 0.926 262 D HN 0.613 nan 8.370 nan 0.000 0.520 263 G N 0.357 109.113 108.800 -0.073 0.000 2.308 263 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.221 263 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.221 263 G C 0.494 175.344 174.900 -0.083 0.000 1.032 263 G CA -0.052 45.009 45.100 -0.065 0.000 0.623 263 G HN 0.416 nan 8.290 nan 0.000 0.506 264 R N 1.304 121.732 120.500 -0.120 0.000 2.827 264 R HA 0.488 4.828 4.340 -0.001 0.000 0.269 264 R C 0.423 176.623 176.300 -0.167 0.000 1.048 264 R CA 1.095 57.108 56.100 -0.146 0.000 1.173 264 R CB 0.044 30.212 30.300 -0.219 0.000 1.070 264 R HN 0.595 nan 8.270 nan 0.000 0.498 265 T N -2.762 111.715 114.554 -0.129 0.000 2.883 265 T HA 0.630 4.980 4.350 -0.001 0.000 0.296 265 T C -0.314 174.371 174.700 -0.025 0.000 1.117 265 T CA -0.920 61.126 62.100 -0.091 0.000 1.006 265 T CB 1.735 70.579 68.868 -0.040 0.000 1.191 265 T HN 0.343 nan 8.240 nan 0.000 0.508 266 V N -0.634 119.302 119.914 0.037 0.000 3.102 266 V HA 0.743 4.862 4.120 -0.001 0.000 0.312 266 V C -0.828 175.329 176.094 0.105 0.000 1.135 266 V CA -1.085 61.316 62.300 0.167 0.000 1.022 266 V CB 2.009 34.016 31.823 0.306 0.000 1.056 266 V HN 1.031 nan 8.190 nan 0.000 0.436 267 E N 0.393 120.680 120.200 0.144 0.000 2.246 267 E HA 0.664 5.013 4.350 -0.001 0.000 0.266 267 E C -0.379 176.309 176.600 0.146 0.000 0.880 267 E CA -0.303 56.157 56.400 0.101 0.000 0.762 267 E CB 2.581 32.333 29.700 0.087 0.000 1.180 267 E HN 1.028 nan 8.360 nan 0.000 0.416 268 G N 0.204 109.011 108.800 0.012 0.000 3.105 268 G HA2 0.295 4.255 3.960 -0.001 0.000 0.277 268 G HA3 0.295 4.255 3.960 -0.001 0.000 0.277 268 G C 0.598 175.488 174.900 -0.017 0.000 1.375 268 G CA -0.351 44.733 45.100 -0.026 0.000 0.962 268 G HN 0.416 nan 8.290 nan 0.000 0.541 269 S N -1.143 114.558 115.700 0.001 0.000 2.406 269 S HA 0.178 4.648 4.470 -0.001 0.000 0.224 269 S C 0.659 174.997 174.600 -0.437 0.000 1.030 269 S CA 0.473 58.582 58.200 -0.152 0.000 0.958 269 S CB -0.280 62.909 63.200 -0.018 0.000 0.811 269 S HN 0.625 nan 8.310 nan 0.000 0.489 270 H N 0.050 119.058 119.070 -0.102 0.000 2.928 270 H HA 0.720 5.275 4.556 -0.001 0.000 0.371 270 H C -1.218 174.019 175.328 -0.152 0.000 1.186 270 H CA -0.848 55.124 56.048 -0.127 0.000 1.134 270 H CB 2.028 31.695 29.762 -0.159 0.000 1.824 270 H HN 0.319 nan 8.280 nan 0.000 0.554 271 A N 2.397 125.210 122.820 -0.010 0.000 2.335 271 A HA 0.374 4.694 4.320 -0.001 0.000 0.304 271 A C -0.867 176.673 177.584 -0.072 0.000 1.118 271 A CA -0.682 51.321 52.037 -0.056 0.000 0.757 271 A CB 1.037 20.005 19.000 -0.053 0.000 1.188 271 A HN 0.567 nan 8.150 nan 0.000 0.460 272 L N 4.359 125.528 121.223 -0.090 0.000 2.255 272 L HA 0.373 4.713 4.340 -0.001 0.000 0.289 272 L C -0.691 176.166 176.870 -0.022 0.000 1.046 272 L CA -0.692 54.090 54.840 -0.098 0.000 0.816 272 L CB 0.809 42.788 42.059 -0.134 0.000 1.197 272 L HN 0.655 nan 8.230 nan 0.000 0.427 273 M N 4.194 123.785 119.600 -0.016 0.000 2.194 273 M HA 0.125 4.604 4.480 -0.001 0.000 0.347 273 M C 0.400 176.800 176.300 0.167 0.000 1.439 273 M CA 0.328 55.650 55.300 0.038 0.000 1.131 273 M CB 0.331 32.926 32.600 -0.009 0.000 1.733 273 M HN 0.391 nan 8.290 nan 0.000 0.467 274 T N 5.138 119.807 114.554 0.192 0.000 3.327 274 T HA 0.473 4.823 4.350 -0.001 0.000 0.244 274 T C 0.948 175.788 174.700 0.233 0.000 1.074 274 T CA -0.121 62.149 62.100 0.284 0.000 1.156 274 T CB -0.206 68.787 68.868 0.207 0.000 1.087 274 T HN 0.429 nan 8.240 nan 0.000 0.575 275 I N -0.322 120.403 120.570 0.257 0.000 4.194 275 I HA 0.536 4.706 4.170 -0.001 0.000 0.189 275 I C 1.700 177.958 176.117 0.235 0.000 1.582 275 I CA -0.652 60.761 61.300 0.188 0.000 0.876 275 I CB 0.100 38.184 38.000 0.140 0.000 1.850 275 I HN 0.351 nan 8.210 nan 0.000 0.859 276 G N -0.651 108.269 108.800 0.199 0.000 2.782 276 G HA2 0.602 4.561 3.960 -0.001 0.000 0.201 276 G HA3 0.602 4.561 3.960 -0.001 0.000 0.201 276 G C -0.962 174.116 174.900 0.298 0.000 1.374 276 G CA -0.277 44.947 45.100 0.207 0.000 1.039 276 G HN 0.519 nan 8.290 nan 0.000 0.576 277 S N -2.449 113.396 115.700 0.241 0.000 2.697 277 S HA 0.692 5.162 4.470 -0.001 0.000 0.289 277 S C -1.276 173.412 174.600 0.147 0.000 1.149 277 S CA -0.496 57.846 58.200 0.237 0.000 0.850 277 S CB 1.967 65.344 63.200 0.294 0.000 1.151 277 S HN 0.462 nan 8.310 nan 0.000 0.491 278 V N 3.255 123.230 119.914 0.102 0.000 2.656 278 V HA 0.514 4.633 4.120 -0.001 0.000 0.307 278 V C -2.353 173.763 176.094 0.036 0.000 1.051 278 V CA -2.138 60.176 62.300 0.023 0.000 0.893 278 V CB 2.156 33.970 31.823 -0.015 0.000 0.999 278 V HN 0.706 nan 8.190 nan 0.000 0.426 279 P HA 0.103 nan 4.420 nan 0.000 0.271 279 P C -0.588 176.724 177.300 0.020 0.000 1.216 279 P CA -0.102 63.032 63.100 0.057 0.000 0.771 279 P CB 0.451 32.162 31.700 0.019 0.000 0.864 280 N N 1.400 120.131 118.700 0.052 0.000 3.124 280 N HA 0.092 4.832 4.740 -0.001 0.000 0.284 280 N C 0.429 175.954 175.510 0.024 0.000 1.209 280 N CA -0.109 52.959 53.050 0.030 0.000 1.149 280 N CB -0.222 38.289 38.487 0.040 0.000 1.434 280 N HN 0.475 nan 8.380 nan 0.000 0.529 281 T N -3.172 111.386 114.554 0.007 0.000 3.296 281 T HA 0.114 4.464 4.350 -0.001 0.000 0.285 281 T C 0.425 175.122 174.700 -0.006 0.000 1.014 281 T CA -0.671 61.434 62.100 0.007 0.000 0.920 281 T CB -0.012 68.864 68.868 0.012 0.000 1.143 281 T HN 0.168 nan 8.240 nan 0.000 0.522 282 S N -0.097 115.598 115.700 -0.009 0.000 2.621 282 S HA 0.649 5.119 4.470 -0.001 0.000 0.302 282 S C 1.054 175.650 174.600 -0.007 0.000 1.093 282 S CA -0.022 58.170 58.200 -0.012 0.000 1.017 282 S CB 1.029 64.218 63.200 -0.018 0.000 1.077 282 S HN 1.353 nan 8.310 nan 0.000 0.517 283 G N 0.969 109.764 108.800 -0.007 0.000 2.273 283 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.280 283 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.280 283 G C 0.193 175.091 174.900 -0.003 0.000 1.047 283 G CA 0.555 45.652 45.100 -0.005 0.000 0.869 283 G HN 0.877 nan 8.290 nan 0.000 0.502 284 L N -0.758 120.463 121.223 -0.004 0.000 2.731 284 L HA 0.400 4.740 4.340 -0.001 0.000 0.240 284 L C 2.062 178.927 176.870 -0.008 0.000 1.120 284 L CA 0.414 55.251 54.840 -0.005 0.000 0.913 284 L CB 0.226 42.282 42.059 -0.005 0.000 1.213 284 L HN 0.964 nan 8.230 nan 0.000 0.515 285 G N 0.921 109.716 108.800 -0.008 0.000 2.176 285 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.252 285 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.252 285 G C 0.707 175.597 174.900 -0.017 0.000 1.024 285 G CA 0.288 45.383 45.100 -0.008 0.000 0.755 285 G HN 0.312 nan 8.290 nan 0.000 0.507 286 L N -0.566 120.645 121.223 -0.020 0.000 2.456 286 L HA 0.019 4.359 4.340 -0.001 0.000 0.224 286 L C 2.541 179.398 176.870 -0.022 0.000 1.148 286 L CA 1.677 56.500 54.840 -0.028 0.000 0.825 286 L CB -0.268 41.778 42.059 -0.022 0.000 0.937 286 L HN 0.449 nan 8.230 nan 0.000 0.450 287 E N 0.050 120.242 120.200 -0.014 0.000 2.107 287 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 287 E C 2.038 178.635 176.600 -0.005 0.000 0.982 287 E CA 0.617 57.012 56.400 -0.008 0.000 0.809 287 E CB -0.133 29.564 29.700 -0.005 0.000 0.756 287 E HN 0.328 nan 8.360 nan 0.000 0.459 288 R N 0.225 120.722 120.500 -0.004 0.000 2.328 288 R HA 0.016 4.356 4.340 -0.001 0.000 0.207 288 R C 0.952 177.256 176.300 0.007 0.000 1.056 288 R CA 0.542 56.645 56.100 0.005 0.000 1.016 288 R CB 0.154 30.459 30.300 0.009 0.000 0.872 288 R HN 0.061 nan 8.270 nan 0.000 0.471 289 V N -0.832 119.076 119.914 -0.009 0.000 3.346 289 V HA 0.224 4.344 4.120 -0.001 0.000 0.309 289 V C 0.919 177.010 176.094 -0.005 0.000 1.457 289 V CA 0.783 63.078 62.300 -0.009 0.000 1.069 289 V CB 1.064 32.845 31.823 -0.069 0.000 0.944 289 V HN 0.582 nan 8.190 nan 0.000 0.449 290 G N 0.929 109.725 108.800 -0.005 0.000 2.217 290 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.246 290 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.246 290 G C 0.270 175.164 174.900 -0.010 0.000 0.990 290 G CA 0.222 45.320 45.100 -0.004 0.000 0.627 290 G HN 0.462 nan 8.290 nan 0.000 0.522 291 I N 1.025 121.584 120.570 -0.018 0.000 2.638 291 I HA 0.376 4.546 4.170 -0.001 0.000 0.286 291 I C 0.151 176.261 176.117 -0.012 0.000 1.088 291 I CA -0.001 61.288 61.300 -0.018 0.000 1.397 291 I CB 1.086 39.070 38.000 -0.027 0.000 1.414 291 I HN -0.012 nan 8.210 nan 0.000 0.566 292 Q N 5.871 125.667 119.800 -0.007 0.000 2.290 292 Q HA 0.428 4.767 4.340 -0.001 0.000 0.269 292 Q C -0.848 175.152 176.000 0.000 0.000 1.016 292 Q CA -0.782 55.018 55.803 -0.005 0.000 0.754 292 Q CB 2.258 30.994 28.738 -0.004 0.000 1.247 292 Q HN 0.533 nan 8.270 nan 0.000 0.451 293 L N 1.853 123.076 121.223 -0.001 0.000 2.678 293 L HA -0.014 4.325 4.340 -0.001 0.000 0.285 293 L C 1.229 178.108 176.870 0.014 0.000 1.233 293 L CA 0.530 55.374 54.840 0.007 0.000 0.920 293 L CB 0.068 42.121 42.059 -0.010 0.000 1.176 293 L HN 0.651 nan 8.230 nan 0.000 0.495 294 G N 3.463 112.287 108.800 0.041 0.000 2.588 294 G HA2 0.255 4.215 3.960 -0.001 0.000 0.278 294 G HA3 0.255 4.215 3.960 -0.001 0.000 0.278 294 G C -0.141 174.793 174.900 0.057 0.000 1.307 294 G CA -0.802 44.328 45.100 0.050 0.000 1.016 294 G HN 0.642 nan 8.290 nan 0.000 0.503 295 R N -0.432 120.107 120.500 0.065 0.000 2.526 295 R HA 0.248 4.588 4.340 -0.001 0.000 0.319 295 R C 1.296 177.653 176.300 0.096 0.000 0.888 295 R CA 1.602 57.741 56.100 0.065 0.000 1.127 295 R CB -0.256 30.087 30.300 0.072 0.000 0.888 295 R HN 1.195 nan 8.270 nan 0.000 0.410 296 G N 3.080 111.863 108.800 -0.028 0.000 2.134 296 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.209 296 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.209 296 G C 0.095 174.722 174.900 -0.455 0.000 0.993 296 G CA -0.187 44.787 45.100 -0.211 0.000 0.669 296 G HN 0.792 nan 8.290 nan 0.000 0.519 297 N N -1.780 116.785 118.700 -0.225 0.000 2.714 297 N HA -0.188 4.552 4.740 -0.001 0.000 0.250 297 N C -0.137 175.246 175.510 -0.211 0.000 1.117 297 N CA 1.656 54.589 53.050 -0.196 0.000 0.719 297 N CB -1.207 37.161 38.487 -0.197 0.000 1.081 297 N HN 0.628 nan 8.380 nan 0.000 0.557 298 Y N 0.338 120.641 120.300 0.004 0.000 2.320 298 Y HA 0.351 4.901 4.550 -0.001 0.000 0.324 298 Y C 1.231 177.129 175.900 -0.002 0.000 1.190 298 Y CA -0.634 57.468 58.100 0.004 0.000 1.215 298 Y CB 0.822 39.285 38.460 0.005 0.000 1.221 298 Y HN 0.046 nan 8.280 nan 0.000 0.486 299 L N 4.671 126.014 121.223 0.200 0.000 2.399 299 L HA 0.125 4.465 4.340 -0.001 0.000 0.257 299 L C 0.056 176.970 176.870 0.073 0.000 1.236 299 L CA -0.381 54.516 54.840 0.095 0.000 1.144 299 L CB -0.932 41.167 42.059 0.068 0.000 1.379 299 L HN 0.848 nan 8.230 nan 0.000 0.414 300 T N 0.058 114.654 114.554 0.071 0.000 2.819 300 T HA 0.071 4.421 4.350 -0.001 0.000 0.282 300 T C 0.008 174.708 174.700 0.001 0.000 1.013 300 T CA -0.236 61.884 62.100 0.033 0.000 1.159 300 T CB 1.035 69.920 68.868 0.028 0.000 1.007 300 T HN 0.247 nan 8.240 nan 0.000 0.514 301 V N 2.084 121.990 119.914 -0.014 0.000 3.155 301 V HA 0.434 4.554 4.120 -0.001 0.000 0.313 301 V C 0.209 176.284 176.094 -0.033 0.000 1.162 301 V CA -0.943 61.342 62.300 -0.025 0.000 1.048 301 V CB 2.275 34.091 31.823 -0.012 0.000 1.092 301 V HN 1.056 nan 8.190 nan 0.000 0.447 302 D N 0.175 120.550 120.400 -0.042 0.000 2.356 302 D HA 0.270 4.910 4.640 -0.001 0.000 0.258 302 D C 0.797 177.080 176.300 -0.027 0.000 1.279 302 D CA -0.023 53.950 54.000 -0.046 0.000 1.016 302 D CB 0.559 41.314 40.800 -0.076 0.000 1.107 302 D HN 0.404 nan 8.370 nan 0.000 0.544 303 R N -0.537 119.947 120.500 -0.027 0.000 2.308 303 R HA 0.173 4.512 4.340 -0.001 0.000 0.202 303 R C 0.681 176.981 176.300 0.001 0.000 0.898 303 R CA 0.064 56.158 56.100 -0.011 0.000 1.046 303 R CB 0.477 30.772 30.300 -0.009 0.000 1.026 303 R HN 0.088 nan 8.270 nan 0.000 0.512 304 V N 0.484 120.386 119.914 -0.020 0.000 3.176 304 V HA 0.074 4.194 4.120 -0.001 0.000 0.332 304 V C 0.200 176.331 176.094 0.062 0.000 1.414 304 V CA 0.275 62.567 62.300 -0.014 0.000 1.133 304 V CB 0.788 32.530 31.823 -0.135 0.000 1.088 304 V HN 0.282 nan 8.190 nan 0.000 0.473 305 S N 0.848 116.583 115.700 0.059 0.000 3.382 305 S HA -0.214 4.255 4.470 -0.001 0.000 0.293 305 S C 0.594 175.282 174.600 0.146 0.000 1.262 305 S CA 1.368 59.642 58.200 0.122 0.000 0.969 305 S CB -1.021 62.279 63.200 0.168 0.000 1.136 305 S HN 0.904 nan 8.310 nan 0.000 0.635 306 R N 0.940 121.402 120.500 -0.063 0.000 2.540 306 R HA 0.661 5.000 4.340 -0.001 0.000 0.287 306 R C 0.386 176.558 176.300 -0.213 0.000 0.980 306 R CA -0.258 55.641 56.100 -0.335 0.000 0.966 306 R CB 0.645 30.501 30.300 -0.739 0.000 1.106 306 R HN 0.218 nan 8.270 nan 0.000 0.480 307 T N -0.412 114.011 114.554 -0.218 0.000 2.770 307 T HA 0.140 4.490 4.350 -0.001 0.000 0.281 307 T C 1.280 175.903 174.700 -0.127 0.000 0.981 307 T CA -0.817 61.207 62.100 -0.125 0.000 0.955 307 T CB 0.397 69.208 68.868 -0.094 0.000 1.060 307 T HN 0.460 nan 8.240 nan 0.000 0.531 308 L N 0.075 121.251 121.223 -0.079 0.000 2.465 308 L HA 0.343 4.682 4.340 -0.001 0.000 0.224 308 L C 1.545 178.383 176.870 -0.053 0.000 1.145 308 L CA 0.494 55.298 54.840 -0.060 0.000 0.834 308 L CB -1.687 40.349 42.059 -0.037 0.000 0.944 308 L HN 0.822 nan 8.230 nan 0.000 0.451 309 A N -0.141 122.641 122.820 -0.062 0.000 2.290 309 A HA 0.574 4.893 4.320 -0.001 0.000 0.310 309 A C 0.632 178.200 177.584 -0.027 0.000 1.202 309 A CA -0.364 51.654 52.037 -0.033 0.000 0.837 309 A CB 0.009 18.981 19.000 -0.047 0.000 1.139 309 A HN 0.312 nan 8.150 nan 0.000 0.509 310 T N -0.019 114.553 114.554 0.029 0.000 2.855 310 T HA 0.433 4.783 4.350 -0.001 0.000 0.314 310 T C 1.427 176.223 174.700 0.159 0.000 1.077 310 T CA 0.462 62.585 62.100 0.040 0.000 1.095 310 T CB 0.852 69.746 68.868 0.044 0.000 0.987 310 T HN 2.372 nan 8.240 nan 0.000 0.546 311 G N 1.469 110.342 108.800 0.122 0.000 2.270 311 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.268 311 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.268 311 G C 0.209 175.258 174.900 0.249 0.000 0.982 311 G CA 0.451 45.703 45.100 0.252 0.000 0.628 311 G HN 0.928 nan 8.290 nan 0.000 0.544 312 I N 0.810 121.406 120.570 0.043 0.000 2.307 312 I HA 0.486 4.656 4.170 -0.001 0.000 0.289 312 I C -0.190 175.833 176.117 -0.157 0.000 1.021 312 I CA -0.909 60.370 61.300 -0.035 0.000 1.224 312 I CB 0.718 38.631 38.000 -0.144 0.000 1.376 312 I HN 0.001 nan 8.210 nan 0.000 0.470 313 Y N 4.580 124.884 120.300 0.006 0.000 2.528 313 Y HA 0.784 5.333 4.550 -0.000 0.000 0.335 313 Y C 0.376 176.268 175.900 -0.013 0.000 1.093 313 Y CA -0.684 57.415 58.100 -0.003 0.000 1.134 313 Y CB 1.899 40.363 38.460 0.007 0.000 1.253 313 Y HN 0.580 nan 8.280 nan 0.000 0.478 314 A N 0.854 123.760 122.820 0.143 0.000 2.532 314 A HA 1.011 5.331 4.320 -0.001 0.000 0.290 314 A C -1.483 176.139 177.584 0.062 0.000 1.143 314 A CA -0.248 51.835 52.037 0.077 0.000 0.728 314 A CB 1.577 20.602 19.000 0.042 0.000 1.317 314 A HN 1.227 nan 8.150 nan 0.000 0.414 315 A N -0.880 121.958 122.820 0.030 0.000 2.583 315 A HA 0.935 5.254 4.320 -0.001 0.000 0.292 315 A C 0.219 177.799 177.584 -0.006 0.000 1.045 315 A CA 0.456 52.495 52.037 0.004 0.000 0.672 315 A CB 0.265 19.258 19.000 -0.011 0.000 1.283 315 A HN 2.988 nan 8.150 nan 0.000 0.419 316 G N 0.496 109.284 108.800 -0.020 0.000 2.582 316 G HA2 0.079 4.039 3.960 -0.001 0.000 0.222 316 G HA3 0.079 4.039 3.960 -0.001 0.000 0.222 316 G C 0.025 174.922 174.900 -0.005 0.000 1.311 316 G CA 0.511 45.602 45.100 -0.015 0.000 0.915 316 G HN 0.949 nan 8.290 nan 0.000 0.528 317 D N -0.301 120.111 120.400 0.021 0.000 2.221 317 D HA -0.134 4.506 4.640 -0.001 0.000 0.204 317 D C 2.582 178.938 176.300 0.093 0.000 0.982 317 D CA 2.019 56.046 54.000 0.045 0.000 0.857 317 D CB -0.598 40.256 40.800 0.090 0.000 0.934 317 D HN 0.979 nan 8.370 nan 0.000 0.475 318 C N 0.165 119.526 119.300 0.102 0.000 2.511 318 C HA 0.109 4.568 4.460 -0.001 0.000 0.277 318 C C 2.331 177.428 174.990 0.179 0.000 1.451 318 C CA 0.869 59.988 59.018 0.167 0.000 1.735 318 C CB -1.487 26.317 27.740 0.107 0.000 1.704 318 C HN 0.321 nan 8.230 nan 0.000 0.571 319 T N -4.044 110.533 114.554 0.038 0.000 3.015 319 T HA 0.400 4.749 4.350 -0.001 0.000 0.250 319 T C 1.740 176.259 174.700 -0.301 0.000 1.057 319 T CA 1.210 63.289 62.100 -0.036 0.000 1.066 319 T CB -0.341 68.502 68.868 -0.041 0.000 0.959 319 T HN 1.569 nan 8.240 nan 0.000 0.488 320 G N 1.250 109.720 108.800 -0.550 0.000 2.143 320 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.248 320 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.248 320 G C 0.571 175.214 174.900 -0.428 0.000 0.991 320 G CA 0.448 44.982 45.100 -0.942 0.000 0.689 320 G HN 0.509 nan 8.290 nan 0.000 0.522 321 L N -1.175 119.905 121.223 -0.238 0.000 1.937 321 L HA 0.348 4.688 4.340 -0.001 0.000 0.213 321 L C 1.206 178.002 176.870 -0.123 0.000 1.077 321 L CA 1.490 56.246 54.840 -0.139 0.000 0.758 321 L CB -0.094 41.912 42.059 -0.088 0.000 0.888 321 L HN 0.329 nan 8.230 nan 0.000 0.433 322 L N -0.436 120.728 121.223 -0.098 0.000 2.505 322 L HA 0.299 4.639 4.340 -0.001 0.000 0.266 322 L C -2.363 174.477 176.870 -0.049 0.000 0.954 322 L CA -1.464 53.336 54.840 -0.066 0.000 0.852 322 L CB 2.366 44.401 42.059 -0.039 0.000 1.282 322 L HN 0.041 nan 8.230 nan 0.000 0.403 323 P HA 0.281 nan 4.420 nan 0.000 0.225 323 P C -1.003 176.297 177.300 -0.000 0.000 1.813 323 P CA 0.083 63.178 63.100 -0.008 0.000 1.013 323 P CB -0.057 31.651 31.700 0.012 0.000 1.961 324 L N 0.423 121.644 121.223 -0.003 0.000 2.388 324 L HA 0.606 4.946 4.340 -0.001 0.000 0.264 324 L C 1.425 178.295 176.870 0.001 0.000 0.998 324 L CA -1.025 53.819 54.840 0.007 0.000 0.817 324 L CB 2.063 44.128 42.059 0.011 0.000 1.338 324 L HN -0.061 nan 8.230 nan 0.000 0.414 325 A N 0.746 123.570 122.820 0.007 0.000 1.929 325 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 325 A C 2.231 179.799 177.584 -0.026 0.000 1.176 325 A CA 1.709 53.741 52.037 -0.009 0.000 0.628 325 A CB -0.513 18.490 19.000 0.004 0.000 0.816 325 A HN 0.871 nan 8.150 nan 0.000 0.444 326 S N -0.093 115.603 115.700 -0.006 0.000 2.383 326 S HA -0.147 4.322 4.470 -0.001 0.000 0.229 326 S C 1.709 176.297 174.600 -0.019 0.000 1.030 326 S CA 1.592 59.786 58.200 -0.009 0.000 1.002 326 S CB -0.964 62.242 63.200 0.010 0.000 0.829 326 S HN 0.251 nan 8.310 nan 0.000 0.467 327 V N 2.365 122.269 119.914 -0.017 0.000 2.453 327 V HA -0.020 4.100 4.120 -0.001 0.000 0.247 327 V C 3.101 179.174 176.094 -0.036 0.000 1.048 327 V CA 1.393 63.680 62.300 -0.022 0.000 1.049 327 V CB -1.446 30.365 31.823 -0.021 0.000 0.672 327 V HN 0.669 nan 8.190 nan 0.000 0.457 328 A N 0.165 122.959 122.820 -0.043 0.000 1.902 328 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 328 A C 2.420 179.950 177.584 -0.090 0.000 1.181 328 A CA 1.983 53.986 52.037 -0.058 0.000 0.623 328 A CB -0.674 18.294 19.000 -0.054 0.000 0.818 328 A HN 0.545 nan 8.150 nan 0.000 0.443 329 A N -1.295 121.459 122.820 -0.109 0.000 1.898 329 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 329 A C 2.124 179.643 177.584 -0.107 0.000 1.181 329 A CA 2.091 54.039 52.037 -0.148 0.000 0.620 329 A CB -0.432 18.477 19.000 -0.152 0.000 0.819 329 A HN 0.466 nan 8.150 nan 0.000 0.442 330 M N -0.269 119.294 119.600 -0.062 0.000 2.296 330 M HA -0.074 4.406 4.480 -0.001 0.000 0.265 330 M C 2.002 178.276 176.300 -0.045 0.000 1.064 330 M CA 1.340 56.620 55.300 -0.034 0.000 1.109 330 M CB -0.510 32.090 32.600 0.001 0.000 1.396 330 M HN 0.512 nan 8.290 nan 0.000 0.430 331 Q N -1.398 118.372 119.800 -0.050 0.000 2.123 331 Q HA -0.022 4.317 4.340 -0.001 0.000 0.199 331 Q C 1.946 177.906 176.000 -0.067 0.000 0.966 331 Q CA 1.304 57.083 55.803 -0.039 0.000 0.845 331 Q CB -0.346 28.376 28.738 -0.028 0.000 0.907 331 Q HN 0.680 nan 8.270 nan 0.000 0.439 332 G N 0.545 109.283 108.800 -0.103 0.000 2.403 332 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.216 332 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.216 332 G C 1.416 176.187 174.900 -0.216 0.000 1.154 332 G CA 0.395 45.414 45.100 -0.135 0.000 0.784 332 G HN 0.141 nan 8.290 nan 0.000 0.538 333 R N 0.017 120.370 120.500 -0.244 0.000 2.080 333 R HA 0.026 4.366 4.340 -0.001 0.000 0.236 333 R C 2.529 178.449 176.300 -0.633 0.000 1.137 333 R CA 1.380 57.211 56.100 -0.448 0.000 0.943 333 R CB -0.420 29.718 30.300 -0.271 0.000 0.846 333 R HN 0.403 nan 8.270 nan 0.000 0.431 334 I N 0.116 120.544 120.570 -0.237 0.000 2.454 334 I HA -0.209 3.960 4.170 -0.001 0.000 0.254 334 I C 2.156 178.245 176.117 -0.047 0.000 1.156 334 I CA 1.107 62.396 61.300 -0.017 0.000 1.433 334 I CB -0.163 37.887 38.000 0.083 0.000 1.082 334 I HN 0.285 nan 8.210 nan 0.000 0.432 335 A N 0.089 122.818 122.820 -0.150 0.000 2.067 335 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 335 A C 2.269 179.578 177.584 -0.457 0.000 1.156 335 A CA 0.928 52.786 52.037 -0.297 0.000 0.683 335 A CB -0.188 18.651 19.000 -0.267 0.000 0.808 335 A HN 0.224 nan 8.150 nan 0.000 0.455 336 M N -1.565 117.822 119.600 -0.355 0.000 2.287 336 M HA 0.036 4.515 4.480 -0.001 0.000 0.266 336 M C 1.839 178.054 176.300 -0.142 0.000 1.079 336 M CA 1.055 56.181 55.300 -0.290 0.000 1.146 336 M CB -1.304 31.126 32.600 -0.283 0.000 1.374 336 M HN 0.505 nan 8.290 nan 0.000 0.435 337 Y N -0.353 119.926 120.300 -0.034 0.000 2.181 337 Y HA -0.206 4.343 4.550 -0.001 0.000 0.288 337 Y C 2.740 178.643 175.900 0.005 0.000 1.146 337 Y CA 1.143 59.248 58.100 0.009 0.000 1.164 337 Y CB -1.427 37.053 38.460 0.033 0.000 0.982 337 Y HN 0.411 nan 8.280 nan 0.000 0.515 338 H N -0.290 118.829 119.070 0.082 0.000 2.363 338 H HA -0.035 4.521 4.556 -0.000 0.000 0.301 338 H C 2.108 177.464 175.328 0.047 0.000 1.074 338 H CA 1.296 57.397 56.048 0.089 0.000 1.354 338 H CB 0.060 29.921 29.762 0.165 0.000 1.397 338 H HN 0.283 nan 8.280 nan 0.000 0.516 339 A N 0.898 123.682 122.820 -0.059 0.000 2.014 339 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 339 A C 2.046 179.569 177.584 -0.102 0.000 1.163 339 A CA 0.615 52.610 52.037 -0.070 0.000 0.652 339 A CB -0.360 18.532 19.000 -0.180 0.000 0.808 339 A HN 0.387 nan 8.150 nan 0.000 0.449 340 L N -0.463 120.694 121.223 -0.109 0.000 2.912 340 L HA 0.307 4.647 4.340 -0.001 0.000 0.240 340 L C 1.267 178.055 176.870 -0.136 0.000 1.262 340 L CA 0.145 54.876 54.840 -0.181 0.000 1.058 340 L CB -0.304 41.585 42.059 -0.283 0.000 1.383 340 L HN 0.437 nan 8.230 nan 0.000 0.512 341 G N 0.343 109.080 108.800 -0.105 0.000 2.341 341 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.292 341 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.292 341 G C 0.236 175.126 174.900 -0.016 0.000 1.021 341 G CA 0.489 45.542 45.100 -0.077 0.000 0.905 341 G HN 0.535 nan 8.290 nan 0.000 0.508 342 E N -0.872 119.345 120.200 0.028 0.000 2.446 342 E HA 0.570 4.920 4.350 -0.001 0.000 0.251 342 E C 1.185 177.786 176.600 0.001 0.000 1.087 342 E CA -0.543 55.883 56.400 0.043 0.000 0.937 342 E CB 0.682 30.444 29.700 0.103 0.000 1.254 342 E HN 0.327 nan 8.360 nan 0.000 0.479 343 G N -0.139 108.629 108.800 -0.053 0.000 2.398 343 G HA2 0.348 4.307 3.960 -0.001 0.000 0.246 343 G HA3 0.348 4.307 3.960 -0.001 0.000 0.246 343 G C -0.730 174.148 174.900 -0.036 0.000 1.289 343 G CA -0.223 44.845 45.100 -0.053 0.000 0.869 343 G HN 0.142 nan 8.290 nan 0.000 0.543 344 V N 1.317 121.251 119.914 0.033 0.000 2.638 344 V HA 0.525 4.644 4.120 -0.001 0.000 0.306 344 V C -0.226 175.917 176.094 0.082 0.000 1.052 344 V CA -0.818 61.542 62.300 0.101 0.000 0.885 344 V CB 2.174 34.117 31.823 0.200 0.000 0.999 344 V HN 0.772 nan 8.190 nan 0.000 0.424 345 S N 5.150 120.901 115.700 0.084 0.000 2.667 345 S HA 0.524 4.994 4.470 -0.001 0.000 0.304 345 S C -2.566 172.077 174.600 0.072 0.000 1.135 345 S CA -1.034 57.204 58.200 0.062 0.000 1.125 345 S CB 1.216 64.439 63.200 0.039 0.000 0.996 345 S HN 0.641 nan 8.310 nan 0.000 0.474 346 P HA 0.039 nan 4.420 nan 0.000 0.266 346 P C -0.507 176.817 177.300 0.039 0.000 1.180 346 P CA -0.258 62.870 63.100 0.048 0.000 0.765 346 P CB 0.136 31.855 31.700 0.031 0.000 0.806 347 I N 2.373 122.962 120.570 0.033 0.000 2.648 347 I HA 0.111 4.280 4.170 -0.001 0.000 0.284 347 I C 1.083 177.208 176.117 0.014 0.000 1.153 347 I CA 0.551 61.866 61.300 0.024 0.000 1.426 347 I CB -0.081 37.928 38.000 0.014 0.000 1.381 347 I HN 0.160 nan 8.210 nan 0.000 0.571 348 R N 5.209 125.717 120.500 0.014 0.000 2.265 348 R HA 0.364 4.704 4.340 -0.001 0.000 0.328 348 R C 0.596 176.899 176.300 0.006 0.000 0.969 348 R CA -0.707 55.399 56.100 0.009 0.000 0.832 348 R CB 1.106 31.414 30.300 0.012 0.000 1.139 348 R HN 0.516 nan 8.270 nan 0.000 0.457 349 L N 1.876 123.099 121.223 -0.000 0.000 2.129 349 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 349 L C 1.579 178.451 176.870 0.002 0.000 1.087 349 L CA 1.629 56.467 54.840 -0.004 0.000 0.757 349 L CB -0.475 41.578 42.059 -0.011 0.000 0.896 349 L HN 0.551 nan 8.230 nan 0.000 0.434 350 R N 0.011 120.515 120.500 0.007 0.000 2.346 350 R HA 0.034 4.374 4.340 -0.001 0.000 0.225 350 R C 1.591 177.903 176.300 0.020 0.000 0.987 350 R CA 0.671 56.779 56.100 0.014 0.000 1.106 350 R CB -0.701 29.609 30.300 0.017 0.000 1.090 350 R HN 0.531 nan 8.270 nan 0.000 0.502 351 T N -4.667 109.897 114.554 0.015 0.000 2.971 351 T HA 0.159 4.509 4.350 -0.001 0.000 0.252 351 T C 0.909 175.617 174.700 0.013 0.000 1.022 351 T CA -0.231 61.879 62.100 0.016 0.000 0.980 351 T CB 0.213 69.090 68.868 0.016 0.000 1.044 351 T HN -0.192 nan 8.240 nan 0.000 0.501 352 V N 2.796 122.716 119.914 0.010 0.000 2.617 352 V HA 0.458 4.577 4.120 -0.001 0.000 0.304 352 V C 0.784 176.884 176.094 0.009 0.000 1.040 352 V CA -0.119 62.186 62.300 0.008 0.000 1.149 352 V CB -0.135 31.690 31.823 0.004 0.000 0.914 352 V HN 0.725 nan 8.190 nan 0.000 0.487 353 A N 4.745 127.568 122.820 0.006 0.000 2.304 353 A HA 0.880 5.200 4.320 -0.001 0.000 0.323 353 A C 0.004 177.587 177.584 -0.002 0.000 1.195 353 A CA -0.062 51.975 52.037 -0.000 0.000 0.826 353 A CB 1.202 20.198 19.000 -0.007 0.000 1.184 353 A HN 1.435 nan 8.150 nan 0.000 0.496 354 A N 1.711 124.529 122.820 -0.005 0.000 2.422 354 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 354 A C -0.193 177.354 177.584 -0.061 0.000 1.041 354 A CA 0.085 52.116 52.037 -0.011 0.000 0.708 354 A CB 1.373 20.385 19.000 0.020 0.000 1.257 354 A HN 1.814 nan 8.150 nan 0.000 0.414 355 T N -0.718 113.743 114.554 -0.154 0.000 2.907 355 T HA 0.668 5.018 4.350 -0.001 0.000 0.292 355 T C -0.951 173.515 174.700 -0.389 0.000 1.043 355 T CA -0.571 61.322 62.100 -0.345 0.000 1.003 355 T CB 1.333 69.825 68.868 -0.627 0.000 1.084 355 T HN 0.800 nan 8.240 nan 0.000 0.483 356 V N 3.599 123.269 119.914 -0.407 0.000 2.394 356 V HA 0.410 4.530 4.120 -0.001 0.000 0.282 356 V C -0.398 175.479 176.094 -0.362 0.000 1.031 356 V CA -0.724 61.412 62.300 -0.273 0.000 0.881 356 V CB 0.666 32.330 31.823 -0.265 0.000 0.982 356 V HN 0.906 nan 8.190 nan 0.000 0.451 357 F N 3.921 123.802 119.950 -0.115 0.000 2.669 357 F HA 0.237 4.764 4.527 -0.001 0.000 0.353 357 F C 1.375 177.117 175.800 -0.098 0.000 1.192 357 F CA -0.289 57.644 58.000 -0.111 0.000 1.317 357 F CB -0.249 38.686 39.000 -0.109 0.000 1.652 357 F HN 0.582 nan 8.300 nan 0.000 0.608 358 T N -1.669 112.878 114.554 -0.012 0.000 2.888 358 T HA 0.591 4.941 4.350 -0.001 0.000 0.283 358 T C -0.030 174.648 174.700 -0.036 0.000 1.013 358 T CA -1.028 61.066 62.100 -0.010 0.000 0.938 358 T CB 1.229 70.050 68.868 -0.079 0.000 1.298 358 T HN 0.214 nan 8.240 nan 0.000 0.580 359 R N 1.815 122.282 120.500 -0.055 0.000 2.422 359 R HA 0.422 4.762 4.340 -0.001 0.000 0.307 359 R C -2.501 173.733 176.300 -0.110 0.000 1.004 359 R CA -1.698 54.363 56.100 -0.065 0.000 0.882 359 R CB 1.509 31.789 30.300 -0.033 0.000 1.164 359 R HN 0.545 nan 8.270 nan 0.000 0.489 360 P HA 0.093 nan 4.420 nan 0.000 0.277 360 P C -0.742 176.454 177.300 -0.173 0.000 1.271 360 P CA -0.417 62.604 63.100 -0.132 0.000 0.795 360 P CB 0.920 32.536 31.700 -0.140 0.000 1.101 361 E N -0.229 119.860 120.200 -0.185 0.000 2.374 361 E HA 0.388 4.738 4.350 -0.001 0.000 0.260 361 E C -0.297 176.109 176.600 -0.323 0.000 1.101 361 E CA -0.340 55.902 56.400 -0.262 0.000 0.907 361 E CB 0.480 30.021 29.700 -0.265 0.000 1.014 361 E HN 0.342 nan 8.360 nan 0.000 0.427 362 I N 1.374 121.708 120.570 -0.392 0.000 2.478 362 I HA 0.489 4.659 4.170 -0.001 0.000 0.287 362 I C -0.725 175.179 176.117 -0.355 0.000 1.042 362 I CA -0.721 60.334 61.300 -0.409 0.000 1.067 362 I CB 1.840 39.502 38.000 -0.564 0.000 1.233 362 I HN 0.426 nan 8.210 nan 0.000 0.431 363 A N 4.706 127.377 122.820 -0.247 0.000 2.401 363 A HA 1.008 5.327 4.320 -0.001 0.000 0.310 363 A C -0.929 176.627 177.584 -0.047 0.000 1.075 363 A CA -0.473 51.471 52.037 -0.155 0.000 0.746 363 A CB 1.994 20.891 19.000 -0.171 0.000 1.277 363 A HN 0.884 nan 8.150 nan 0.000 0.425 364 A N 0.360 123.193 122.820 0.021 0.000 2.566 364 A HA 0.884 5.203 4.320 -0.001 0.000 0.292 364 A C -1.180 176.424 177.584 0.034 0.000 1.112 364 A CA -0.439 51.633 52.037 0.059 0.000 0.707 364 A CB 1.469 20.561 19.000 0.155 0.000 1.302 364 A HN 1.983 nan 8.150 nan 0.000 0.409 365 V N -0.731 119.205 119.914 0.037 0.000 3.000 365 V HA 0.802 4.922 4.120 -0.001 0.000 0.300 365 V C 0.550 176.684 176.094 0.067 0.000 1.251 365 V CA -0.072 62.248 62.300 0.033 0.000 0.972 365 V CB 0.673 32.502 31.823 0.009 0.000 1.065 365 V HN 2.843 nan 8.190 nan 0.000 0.431 366 G N 1.862 110.701 108.800 0.065 0.000 2.642 366 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.231 366 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.231 366 G C -0.288 174.682 174.900 0.115 0.000 1.338 366 G CA -0.406 44.747 45.100 0.088 0.000 0.883 366 G HN 1.725 nan 8.290 nan 0.000 0.570 367 V N 2.759 122.748 119.914 0.124 0.000 2.644 367 V HA 0.249 4.369 4.120 -0.001 0.000 0.305 367 V C -1.191 174.948 176.094 0.075 0.000 1.053 367 V CA 0.402 62.741 62.300 0.065 0.000 1.186 367 V CB 0.712 32.541 31.823 0.010 0.000 0.895 367 V HN 0.651 nan 8.190 nan 0.000 0.490 368 P HA 0.151 nan 4.420 nan 0.000 0.274 368 P C 0.600 177.758 177.300 -0.237 0.000 1.237 368 P CA -0.302 62.787 63.100 -0.018 0.000 0.793 368 P CB 0.584 32.252 31.700 -0.054 0.000 0.977 369 Q N 0.797 120.440 119.800 -0.262 0.000 2.170 369 Q HA -0.151 4.189 4.340 -0.001 0.000 0.203 369 Q C 1.627 177.470 176.000 -0.262 0.000 0.976 369 Q CA 1.611 57.121 55.803 -0.488 0.000 0.858 369 Q CB -0.215 28.385 28.738 -0.229 0.000 0.907 369 Q HN 0.422 nan 8.270 nan 0.000 0.433 370 S N -0.107 115.503 115.700 -0.149 0.000 2.401 370 S HA -0.244 4.226 4.470 -0.001 0.000 0.236 370 S C 1.912 176.440 174.600 -0.121 0.000 1.058 370 S CA 1.791 59.925 58.200 -0.109 0.000 1.151 370 S CB -0.764 62.384 63.200 -0.087 0.000 1.049 370 S HN 0.278 nan 8.310 nan 0.000 0.432 371 V N 2.160 121.997 119.914 -0.127 0.000 2.252 371 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 371 V C 2.131 178.144 176.094 -0.134 0.000 1.056 371 V CA 1.981 64.213 62.300 -0.114 0.000 1.022 371 V CB -0.828 30.935 31.823 -0.099 0.000 0.641 371 V HN 0.440 nan 8.190 nan 0.000 0.445 372 I N 0.220 120.668 120.570 -0.205 0.000 2.151 372 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 372 I C 2.143 178.174 176.117 -0.143 0.000 1.080 372 I CA 1.826 63.006 61.300 -0.199 0.000 1.339 372 I CB -0.587 37.217 38.000 -0.327 0.000 1.039 372 I HN 0.322 nan 8.210 nan 0.000 0.409 373 D N 0.806 121.118 120.400 -0.147 0.000 2.310 373 D HA -0.070 4.569 4.640 -0.001 0.000 0.212 373 D C 1.977 178.234 176.300 -0.071 0.000 0.965 373 D CA 1.120 55.061 54.000 -0.098 0.000 0.879 373 D CB 0.015 40.760 40.800 -0.091 0.000 0.921 373 D HN 0.390 nan 8.370 nan 0.000 0.510 374 A N -0.635 122.142 122.820 -0.072 0.000 2.178 374 A HA 0.437 4.757 4.320 -0.001 0.000 0.211 374 A C 1.897 179.453 177.584 -0.046 0.000 1.157 374 A CA 1.111 53.116 52.037 -0.053 0.000 0.780 374 A CB 0.121 19.090 19.000 -0.051 0.000 0.828 374 A HN 0.234 nan 8.150 nan 0.000 0.476 375 G N -1.131 107.637 108.800 -0.053 0.000 2.213 375 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.236 375 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.236 375 G C 1.259 176.135 174.900 -0.040 0.000 0.991 375 G CA 0.857 45.931 45.100 -0.042 0.000 0.629 375 G HN 0.684 nan 8.290 nan 0.000 0.517 376 S N -0.828 114.846 115.700 -0.044 0.000 2.382 376 S HA 0.194 4.664 4.470 -0.001 0.000 0.228 376 S C 1.031 175.608 174.600 -0.038 0.000 1.027 376 S CA 1.338 59.516 58.200 -0.038 0.000 0.991 376 S CB 0.245 63.422 63.200 -0.040 0.000 0.823 376 S HN 0.764 nan 8.310 nan 0.000 0.469 377 V N 1.397 121.280 119.914 -0.051 0.000 2.495 377 V HA 0.663 4.783 4.120 -0.001 0.000 0.298 377 V C -0.108 175.959 176.094 -0.045 0.000 1.031 377 V CA -1.140 61.133 62.300 -0.045 0.000 0.871 377 V CB 1.342 33.133 31.823 -0.053 0.000 0.988 377 V HN 0.318 nan 8.190 nan 0.000 0.432 378 A N 4.213 127.017 122.820 -0.027 0.000 2.666 378 A HA 0.797 5.116 4.320 -0.001 0.000 0.312 378 A C 0.317 177.892 177.584 -0.014 0.000 1.471 378 A CA 0.276 52.300 52.037 -0.021 0.000 1.134 378 A CB -0.301 18.692 19.000 -0.012 0.000 1.129 378 A HN 1.310 nan 8.150 nan 0.000 0.539 379 A N 2.753 125.559 122.820 -0.023 0.000 2.566 379 A HA 0.831 5.150 4.320 -0.001 0.000 0.292 379 A C -0.174 177.415 177.584 0.008 0.000 1.112 379 A CA -0.776 51.260 52.037 -0.001 0.000 0.707 379 A CB 1.143 20.143 19.000 -0.000 0.000 1.302 379 A HN 0.738 nan 8.150 nan 0.000 0.409 380 R N -0.119 120.408 120.500 0.046 0.000 2.474 380 R HA 0.674 5.014 4.340 -0.001 0.000 0.295 380 R C -0.466 175.908 176.300 0.124 0.000 0.980 380 R CA 0.218 56.353 56.100 0.058 0.000 0.934 380 R CB 1.618 31.949 30.300 0.051 0.000 1.101 380 R HN 0.958 nan 8.270 nan 0.000 0.469 381 T N 0.672 115.305 114.554 0.131 0.000 2.896 381 T HA 0.655 5.005 4.350 -0.001 0.000 0.297 381 T C -0.657 174.136 174.700 0.154 0.000 1.108 381 T CA -0.791 61.462 62.100 0.254 0.000 1.004 381 T CB 1.445 70.465 68.868 0.253 0.000 1.159 381 T HN 0.573 nan 8.240 nan 0.000 0.499 382 I N 2.023 122.680 120.570 0.145 0.000 2.827 382 I HA 0.675 4.845 4.170 -0.001 0.000 0.298 382 I C -1.744 174.393 176.117 0.033 0.000 1.235 382 I CA -1.441 59.897 61.300 0.063 0.000 1.021 382 I CB 2.229 40.250 38.000 0.036 0.000 1.259 382 I HN 1.021 nan 8.210 nan 0.000 0.427 383 M N 8.315 127.911 119.600 -0.006 0.000 2.093 383 M HA 0.476 4.955 4.480 -0.001 0.000 0.297 383 M C -2.270 174.009 176.300 -0.035 0.000 0.938 383 M CA -0.780 54.483 55.300 -0.062 0.000 0.920 383 M CB 1.560 34.043 32.600 -0.195 0.000 1.517 383 M HN 0.570 nan 8.290 nan 0.000 0.427 384 L N 8.406 129.642 121.223 0.022 0.000 2.276 384 L HA 0.711 5.050 4.340 -0.001 0.000 0.286 384 L C -2.572 174.354 176.870 0.092 0.000 1.024 384 L CA -1.656 53.208 54.840 0.040 0.000 0.826 384 L CB 0.991 43.072 42.059 0.036 0.000 1.211 384 L HN 0.479 nan 8.230 nan 0.000 0.422 385 P HA 0.046 nan 4.420 nan 0.000 0.269 385 P C 0.492 177.842 177.300 0.083 0.000 1.211 385 P CA 0.241 63.407 63.100 0.109 0.000 0.781 385 P CB 0.619 32.352 31.700 0.055 0.000 0.877 386 L N 1.753 123.020 121.223 0.074 0.000 2.554 386 L HA 0.095 4.435 4.340 -0.001 0.000 0.225 386 L C 2.329 179.194 176.870 -0.007 0.000 1.104 386 L CA 0.271 55.123 54.840 0.020 0.000 0.866 386 L CB -0.331 41.723 42.059 -0.007 0.000 1.047 386 L HN 0.381 nan 8.230 nan 0.000 0.468 387 R N -0.260 120.234 120.500 -0.010 0.000 2.237 387 R HA -0.109 4.231 4.340 -0.001 0.000 0.219 387 R C 1.706 177.992 176.300 -0.023 0.000 1.080 387 R CA 1.638 57.718 56.100 -0.032 0.000 0.995 387 R CB -1.027 29.238 30.300 -0.058 0.000 0.875 387 R HN 0.309 nan 8.270 nan 0.000 0.462 388 T N -1.728 112.821 114.554 -0.009 0.000 3.088 388 T HA -0.038 4.312 4.350 -0.001 0.000 0.259 388 T C 0.812 175.510 174.700 -0.003 0.000 1.122 388 T CA -0.197 61.902 62.100 -0.002 0.000 1.095 388 T CB -0.290 68.583 68.868 0.008 0.000 0.930 388 T HN 0.160 nan 8.240 nan 0.000 0.508 389 N N 1.255 119.945 118.700 -0.017 0.000 2.470 389 N HA 0.298 5.037 4.740 -0.001 0.000 0.268 389 N C 1.405 176.877 175.510 -0.064 0.000 1.136 389 N CA 0.483 53.510 53.050 -0.038 0.000 0.961 389 N CB 1.450 39.910 38.487 -0.045 0.000 1.067 389 N HN 0.271 nan 8.380 nan 0.000 0.468 390 A N 4.848 127.612 122.820 -0.093 0.000 1.908 390 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 390 A C 2.127 179.641 177.584 -0.115 0.000 1.181 390 A CA 1.525 53.502 52.037 -0.101 0.000 0.627 390 A CB -0.374 18.546 19.000 -0.133 0.000 0.818 390 A HN 0.776 nan 8.150 nan 0.000 0.445 391 R N 0.378 120.782 120.500 -0.160 0.000 2.080 391 R HA -0.097 4.243 4.340 -0.001 0.000 0.236 391 R C 2.171 178.420 176.300 -0.085 0.000 1.137 391 R CA 2.330 58.353 56.100 -0.128 0.000 0.943 391 R CB -1.225 28.990 30.300 -0.141 0.000 0.846 391 R HN 0.397 nan 8.270 nan 0.000 0.431 392 A N 0.625 123.398 122.820 -0.078 0.000 1.917 392 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 392 A C 2.222 179.776 177.584 -0.050 0.000 1.182 392 A CA 2.084 54.084 52.037 -0.061 0.000 0.633 392 A CB -0.667 18.300 19.000 -0.055 0.000 0.819 392 A HN 0.470 nan 8.150 nan 0.000 0.448 393 K N -1.080 119.292 120.400 -0.047 0.000 2.103 393 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 393 K C 2.081 178.667 176.600 -0.024 0.000 1.048 393 K CA 1.898 58.166 56.287 -0.032 0.000 0.930 393 K CB -0.249 32.235 32.500 -0.028 0.000 0.716 393 K HN 0.578 nan 8.250 nan 0.000 0.444 394 M N -0.390 119.190 119.600 -0.033 0.000 2.099 394 M HA -0.112 4.368 4.480 -0.001 0.000 0.262 394 M C 1.454 177.739 176.300 -0.024 0.000 1.067 394 M CA 1.461 56.746 55.300 -0.025 0.000 1.124 394 M CB 0.148 32.725 32.600 -0.038 0.000 1.353 394 M HN -0.057 nan 8.290 nan 0.000 0.410 395 S N 0.367 116.045 115.700 -0.036 0.000 2.743 395 S HA 0.062 4.532 4.470 -0.001 0.000 0.230 395 S C -0.138 174.444 174.600 -0.031 0.000 0.950 395 S CA -0.031 58.146 58.200 -0.038 0.000 0.976 395 S CB -0.616 62.555 63.200 -0.048 0.000 0.779 395 S HN 0.405 nan 8.310 nan 0.000 0.487 396 E N 1.029 121.219 120.200 -0.018 0.000 2.199 396 E HA -0.215 4.134 4.350 -0.001 0.000 0.208 396 E C -0.689 175.901 176.600 -0.018 0.000 1.310 396 E CA 0.542 56.939 56.400 -0.004 0.000 0.709 396 E CB -1.348 28.369 29.700 0.027 0.000 1.127 396 E HN 0.601 nan 8.360 nan 0.000 0.354 397 M N 0.342 119.919 119.600 -0.038 0.000 2.180 397 M HA 0.273 4.753 4.480 -0.001 0.000 0.350 397 M C 1.282 177.526 176.300 -0.093 0.000 1.125 397 M CA -0.031 55.239 55.300 -0.050 0.000 1.031 397 M CB 1.301 33.869 32.600 -0.052 0.000 1.623 397 M HN 0.031 nan 8.290 nan 0.000 0.451 398 R N 0.344 120.744 120.500 -0.167 0.000 2.487 398 R HA 0.191 4.531 4.340 -0.001 0.000 0.272 398 R C 0.498 176.437 176.300 -0.602 0.000 0.928 398 R CA 0.155 56.022 56.100 -0.388 0.000 1.077 398 R CB 0.769 30.773 30.300 -0.492 0.000 1.265 398 R HN 0.703 nan 8.270 nan 0.000 0.537 399 H N -0.892 118.185 119.070 0.013 0.000 3.230 399 H HA 0.219 4.774 4.556 -0.001 0.000 0.259 399 H C 0.736 176.095 175.328 0.052 0.000 1.195 399 H CA -0.037 56.036 56.048 0.041 0.000 1.112 399 H CB 1.110 30.887 29.762 0.024 0.000 1.638 399 H HN 0.105 nan 8.280 nan 0.000 0.624 400 G N 1.170 110.005 108.800 0.058 0.000 2.634 400 G HA2 0.391 4.350 3.960 -0.001 0.000 0.255 400 G HA3 0.391 4.350 3.960 -0.001 0.000 0.255 400 G C -0.550 174.389 174.900 0.065 0.000 1.205 400 G CA -0.079 44.993 45.100 -0.046 0.000 0.884 400 G HN 0.212 nan 8.290 nan 0.000 0.549 401 F N -2.248 117.687 119.950 -0.024 0.000 2.770 401 F HA 0.623 5.149 4.527 -0.001 0.000 0.313 401 F C -1.442 174.334 175.800 -0.041 0.000 1.154 401 F CA -1.662 56.323 58.000 -0.025 0.000 0.923 401 F CB 1.102 40.098 39.000 -0.007 0.000 1.301 401 F HN 0.471 nan 8.300 nan 0.000 0.449 402 V N 1.968 122.073 119.914 0.318 0.000 2.531 402 V HA 0.508 4.627 4.120 -0.001 0.000 0.301 402 V C -0.712 175.498 176.094 0.195 0.000 1.034 402 V CA -0.909 61.494 62.300 0.172 0.000 0.865 402 V CB 1.853 33.700 31.823 0.041 0.000 0.995 402 V HN 0.736 nan 8.190 nan 0.000 0.424 403 K N 4.880 125.355 120.400 0.125 0.000 2.274 403 K HA 0.698 5.018 4.320 -0.001 0.000 0.262 403 K C -1.273 175.113 176.600 -0.356 0.000 0.961 403 K CA -0.508 55.734 56.287 -0.074 0.000 0.833 403 K CB 2.191 34.664 32.500 -0.045 0.000 1.102 403 K HN 0.529 nan 8.250 nan 0.000 0.436 404 I N 3.701 124.066 120.570 -0.342 0.000 2.509 404 I HA 0.402 4.572 4.170 -0.001 0.000 0.293 404 I C -1.201 174.723 176.117 -0.321 0.000 1.020 404 I CA -0.892 60.185 61.300 -0.371 0.000 1.088 404 I CB 1.165 39.081 38.000 -0.140 0.000 1.267 404 I HN 0.393 nan 8.210 nan 0.000 0.430 405 F N 5.231 125.192 119.950 0.019 0.000 2.495 405 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 405 F C 0.104 175.909 175.800 0.008 0.000 1.103 405 F CA -1.472 56.535 58.000 0.011 0.000 0.949 405 F CB 1.578 40.583 39.000 0.009 0.000 1.142 405 F HN 0.447 nan 8.300 nan 0.000 0.457 406 C N 1.210 120.637 119.300 0.211 0.000 2.994 406 C HA 0.827 5.287 4.460 -0.001 0.000 0.305 406 C C -0.268 174.769 174.990 0.078 0.000 1.251 406 C CA -1.285 57.802 59.018 0.115 0.000 1.478 406 C CB 1.645 29.428 27.740 0.072 0.000 1.922 406 C HN 0.906 nan 8.230 nan 0.000 0.472 407 R N 1.667 122.200 120.500 0.056 0.000 2.583 407 R HA 0.152 4.491 4.340 -0.001 0.000 0.274 407 R C 1.703 178.020 176.300 0.028 0.000 0.998 407 R CA 0.444 56.565 56.100 0.035 0.000 1.081 407 R CB 0.221 30.537 30.300 0.028 0.000 0.940 407 R HN 0.817 nan 8.270 nan 0.000 0.413 408 R N 1.306 121.817 120.500 0.019 0.000 2.082 408 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 408 R C 1.786 178.094 176.300 0.013 0.000 1.136 408 R CA 2.435 58.543 56.100 0.014 0.000 0.935 408 R CB -0.524 29.780 30.300 0.007 0.000 0.842 408 R HN 0.830 nan 8.270 nan 0.000 0.430 409 S N -0.203 115.504 115.700 0.011 0.000 2.315 409 S HA -0.103 4.367 4.470 -0.001 0.000 0.211 409 S C 2.180 176.786 174.600 0.011 0.000 1.029 409 S CA 1.412 59.618 58.200 0.009 0.000 0.956 409 S CB -0.993 62.211 63.200 0.007 0.000 0.918 409 S HN 0.475 nan 8.310 nan 0.000 0.470 410 T N -1.017 113.544 114.554 0.012 0.000 3.007 410 T HA 0.237 4.587 4.350 -0.001 0.000 0.270 410 T C 1.749 176.458 174.700 0.015 0.000 1.107 410 T CA 1.335 63.443 62.100 0.012 0.000 1.118 410 T CB -1.142 67.734 68.868 0.012 0.000 0.889 410 T HN 1.401 nan 8.240 nan 0.000 0.506 411 G N 0.516 109.328 108.800 0.019 0.000 2.155 411 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 411 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 411 G C 0.139 175.054 174.900 0.024 0.000 0.983 411 G CA 0.117 45.231 45.100 0.022 0.000 0.676 411 G HN 0.766 nan 8.290 nan 0.000 0.528 412 V N 1.127 121.056 119.914 0.024 0.000 2.529 412 V HA 0.253 4.373 4.120 -0.001 0.000 0.292 412 V C 1.460 177.574 176.094 0.034 0.000 1.028 412 V CA -0.237 62.078 62.300 0.024 0.000 1.074 412 V CB 1.511 33.347 31.823 0.021 0.000 0.958 412 V HN 0.280 nan 8.190 nan 0.000 0.481 413 V N 7.305 127.236 119.914 0.029 0.000 2.540 413 V HA 0.016 4.135 4.120 -0.001 0.000 0.297 413 V C 1.077 177.200 176.094 0.048 0.000 1.024 413 V CA 0.969 63.290 62.300 0.034 0.000 1.105 413 V CB 0.545 32.375 31.823 0.012 0.000 0.938 413 V HN 0.878 nan 8.190 nan 0.000 0.482 414 I N 1.723 122.343 120.570 0.085 0.000 4.439 414 I HA 0.709 4.879 4.170 -0.001 0.000 0.331 414 I C 0.637 176.837 176.117 0.140 0.000 1.345 414 I CA 0.156 61.514 61.300 0.097 0.000 1.193 414 I CB 0.818 38.879 38.000 0.102 0.000 1.221 414 I HN 0.635 nan 8.210 nan 0.000 0.429 415 G N 0.082 108.976 108.800 0.157 0.000 2.523 415 G HA2 0.618 4.577 3.960 -0.001 0.000 0.291 415 G HA3 0.618 4.577 3.960 -0.001 0.000 0.291 415 G C -1.399 173.418 174.900 -0.138 0.000 1.450 415 G CA -0.283 44.918 45.100 0.168 0.000 0.790 415 G HN 0.406 nan 8.290 nan 0.000 0.496 416 G N -1.745 106.903 108.800 -0.253 0.000 2.616 416 G HA2 0.673 4.632 3.960 -0.001 0.000 0.294 416 G HA3 0.673 4.632 3.960 -0.001 0.000 0.294 416 G C -1.990 172.768 174.900 -0.237 0.000 1.489 416 G CA -0.224 44.638 45.100 -0.397 0.000 0.836 416 G HN 1.350 nan 8.290 nan 0.000 0.527 417 V N 0.120 119.913 119.914 -0.200 0.000 2.841 417 V HA 0.759 4.879 4.120 -0.001 0.000 0.310 417 V C -0.666 175.400 176.094 -0.047 0.000 1.090 417 V CA -0.695 61.590 62.300 -0.025 0.000 0.930 417 V CB 2.132 34.050 31.823 0.159 0.000 1.014 417 V HN 0.801 nan 8.190 nan 0.000 0.425 418 V N 4.414 124.252 119.914 -0.126 0.000 2.569 418 V HA 0.488 4.608 4.120 -0.001 0.000 0.301 418 V C -0.704 175.174 176.094 -0.361 0.000 1.044 418 V CA -0.589 61.576 62.300 -0.226 0.000 0.874 418 V CB 2.102 33.826 31.823 -0.165 0.000 1.002 418 V HN 0.561 nan 8.190 nan 0.000 0.424 419 V N 4.449 124.001 119.914 -0.604 0.000 2.326 419 V HA 0.928 5.048 4.120 -0.001 0.000 0.281 419 V C 0.250 176.099 176.094 -0.408 0.000 1.015 419 V CA 0.274 62.222 62.300 -0.587 0.000 0.823 419 V CB 1.082 32.366 31.823 -0.899 0.000 1.009 419 V HN 1.136 nan 8.190 nan 0.000 0.436 420 A N 6.209 128.865 122.820 -0.274 0.000 2.564 420 A HA 0.809 5.129 4.320 -0.001 0.000 0.291 420 A C -2.706 174.790 177.584 -0.147 0.000 1.102 420 A CA -0.877 51.049 52.037 -0.184 0.000 0.660 420 A CB 1.044 19.952 19.000 -0.153 0.000 1.283 420 A HN 0.435 nan 8.150 nan 0.000 0.430 421 P HA -0.047 nan 4.420 nan 0.000 0.218 421 P C 0.663 177.923 177.300 -0.066 0.000 1.148 421 P CA 1.594 64.647 63.100 -0.079 0.000 0.822 421 P CB -0.107 31.555 31.700 -0.062 0.000 0.784 422 I N -5.967 114.560 120.570 -0.073 0.000 3.266 422 I HA 0.548 4.718 4.170 -0.001 0.000 0.346 422 I C 1.185 177.252 176.117 -0.084 0.000 1.458 422 I CA -0.617 60.651 61.300 -0.053 0.000 0.997 422 I CB 0.121 38.099 38.000 -0.037 0.000 1.733 422 I HN -0.265 nan 8.210 nan 0.000 0.507 423 A N 2.066 124.805 122.820 -0.136 0.000 1.933 423 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 423 A C 2.525 180.020 177.584 -0.149 0.000 1.175 423 A CA 2.122 54.061 52.037 -0.163 0.000 0.628 423 A CB -0.643 18.221 19.000 -0.227 0.000 0.814 423 A HN 0.741 nan 8.150 nan 0.000 0.444 424 S N -0.200 115.399 115.700 -0.169 0.000 2.440 424 S HA -0.183 4.287 4.470 -0.001 0.000 0.238 424 S C 1.474 176.055 174.600 -0.032 0.000 1.010 424 S CA 1.482 59.606 58.200 -0.127 0.000 0.972 424 S CB -0.256 62.903 63.200 -0.069 0.000 0.774 424 S HN 0.628 nan 8.310 nan 0.000 0.501 425 E N 1.725 121.910 120.200 -0.025 0.000 2.079 425 E HA 0.200 4.550 4.350 -0.001 0.000 0.191 425 E C 2.185 178.767 176.600 -0.031 0.000 0.961 425 E CA 0.602 56.994 56.400 -0.014 0.000 0.823 425 E CB -0.600 29.095 29.700 -0.008 0.000 0.789 425 E HN 0.537 nan 8.360 nan 0.000 0.459 426 L N 0.959 122.153 121.223 -0.048 0.000 2.353 426 L HA -0.098 4.242 4.340 -0.001 0.000 0.220 426 L C 2.439 179.276 176.870 -0.055 0.000 1.133 426 L CA 0.292 55.100 54.840 -0.052 0.000 0.798 426 L CB -0.447 41.572 42.059 -0.067 0.000 0.922 426 L HN 0.040 nan 8.230 nan 0.000 0.445 427 I N -0.173 120.360 120.570 -0.062 0.000 2.394 427 I HA -0.226 3.944 4.170 -0.001 0.000 0.251 427 I C 2.164 178.258 176.117 -0.039 0.000 1.136 427 I CA 0.991 62.256 61.300 -0.059 0.000 1.425 427 I CB -0.129 37.831 38.000 -0.067 0.000 1.079 427 I HN 0.110 nan 8.210 nan 0.000 0.425 428 L N 1.799 123.005 121.223 -0.029 0.000 1.978 428 L HA -0.184 4.156 4.340 -0.001 0.000 0.218 428 L C -0.459 176.402 176.870 -0.016 0.000 1.075 428 L CA 2.579 57.409 54.840 -0.016 0.000 0.767 428 L CB -2.167 39.887 42.059 -0.009 0.000 0.890 428 L HN 0.153 nan 8.230 nan 0.000 0.434 429 P HA -0.207 nan 4.420 nan 0.000 0.216 429 P C 2.070 179.359 177.300 -0.019 0.000 1.157 429 P CA 1.988 65.079 63.100 -0.016 0.000 0.880 429 P CB -0.102 31.587 31.700 -0.019 0.000 0.791 430 I N -0.693 119.860 120.570 -0.028 0.000 2.127 430 I HA -0.302 3.867 4.170 -0.001 0.000 0.241 430 I C 2.427 178.533 176.117 -0.019 0.000 1.075 430 I CA 1.705 62.985 61.300 -0.032 0.000 1.334 430 I CB -1.100 36.868 38.000 -0.054 0.000 1.040 430 I HN -0.085 nan 8.210 nan 0.000 0.405 431 A N 0.666 123.477 122.820 -0.015 0.000 1.873 431 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 431 A C 2.471 180.054 177.584 -0.000 0.000 1.193 431 A CA 2.343 54.378 52.037 -0.005 0.000 0.629 431 A CB -1.230 17.769 19.000 -0.003 0.000 0.826 431 A HN 0.250 nan 8.150 nan 0.000 0.447 432 V N -0.153 119.760 119.914 -0.002 0.000 2.250 432 V HA -0.349 3.770 4.120 -0.001 0.000 0.250 432 V C 3.077 179.172 176.094 0.001 0.000 1.060 432 V CA 2.379 64.679 62.300 0.001 0.000 1.030 432 V CB -1.426 30.396 31.823 -0.001 0.000 0.643 432 V HN 0.684 nan 8.190 nan 0.000 0.445 433 A N -0.426 122.393 122.820 -0.002 0.000 1.883 433 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 433 A C 2.379 179.967 177.584 0.007 0.000 1.186 433 A CA 2.419 54.456 52.037 0.001 0.000 0.624 433 A CB -0.778 18.220 19.000 -0.004 0.000 0.822 433 A HN 0.358 nan 8.150 nan 0.000 0.444 434 V N -0.155 119.763 119.914 0.008 0.000 2.237 434 V HA -0.307 3.813 4.120 -0.001 0.000 0.245 434 V C 2.715 178.818 176.094 0.016 0.000 1.046 434 V CA 2.355 64.665 62.300 0.016 0.000 1.007 434 V CB -0.985 30.849 31.823 0.020 0.000 0.638 434 V HN 0.754 nan 8.190 nan 0.000 0.445 435 Q N 0.549 120.357 119.800 0.013 0.000 2.308 435 Q HA -0.172 4.167 4.340 -0.001 0.000 0.209 435 Q C 1.344 177.351 176.000 0.011 0.000 0.985 435 Q CA 1.765 57.575 55.803 0.013 0.000 0.881 435 Q CB -0.134 28.611 28.738 0.012 0.000 0.917 435 Q HN 0.670 nan 8.270 nan 0.000 0.443 436 N N -0.128 118.578 118.700 0.009 0.000 2.238 436 N HA 0.150 4.890 4.740 -0.001 0.000 0.235 436 N C -0.933 174.581 175.510 0.008 0.000 1.209 436 N CA 0.009 53.064 53.050 0.007 0.000 0.879 436 N CB 0.636 39.126 38.487 0.004 0.000 1.136 436 N HN 0.180 nan 8.380 nan 0.000 0.517 437 R N 0.775 121.281 120.500 0.011 0.000 3.251 437 R HA -0.151 4.189 4.340 -0.001 0.000 0.249 437 R C -0.240 176.066 176.300 0.010 0.000 0.949 437 R CA 0.588 56.695 56.100 0.012 0.000 0.645 437 R CB -2.100 28.207 30.300 0.011 0.000 1.065 437 R HN 0.334 nan 8.270 nan 0.000 0.452 438 I N 0.013 120.588 120.570 0.009 0.000 2.662 438 I HA 0.104 4.274 4.170 -0.001 0.000 0.291 438 I C 1.313 177.436 176.117 0.009 0.000 1.046 438 I CA 0.001 61.305 61.300 0.007 0.000 1.361 438 I CB 1.426 39.428 38.000 0.004 0.000 1.429 438 I HN 0.005 nan 8.210 nan 0.000 0.558 439 T N 3.002 117.561 114.554 0.008 0.000 2.902 439 T HA 0.210 4.559 4.350 -0.001 0.000 0.283 439 T C 1.184 175.889 174.700 0.009 0.000 1.009 439 T CA -0.731 61.375 62.100 0.010 0.000 1.051 439 T CB 1.515 70.389 68.868 0.009 0.000 0.999 439 T HN 0.489 nan 8.240 nan 0.000 0.474 440 V N 3.333 123.254 119.914 0.011 0.000 2.380 440 V HA -0.201 3.919 4.120 -0.001 0.000 0.251 440 V C 1.873 177.971 176.094 0.008 0.000 1.063 440 V CA 2.183 64.488 62.300 0.009 0.000 1.055 440 V CB -1.106 30.725 31.823 0.013 0.000 0.657 440 V HN 0.783 nan 8.190 nan 0.000 0.455 441 N N 0.871 119.576 118.700 0.008 0.000 2.084 441 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 441 N C 1.888 177.401 175.510 0.005 0.000 1.030 441 N CA 1.909 54.963 53.050 0.007 0.000 0.849 441 N CB -0.424 38.067 38.487 0.007 0.000 1.012 441 N HN 0.670 nan 8.380 nan 0.000 0.423 442 E N -0.392 119.811 120.200 0.005 0.000 2.153 442 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 442 E C 1.488 178.090 176.600 0.003 0.000 0.988 442 E CA 0.500 56.902 56.400 0.004 0.000 0.811 442 E CB -0.013 29.690 29.700 0.004 0.000 0.746 442 E HN 0.156 nan 8.360 nan 0.000 0.466 443 L N 0.132 121.357 121.223 0.003 0.000 2.131 443 L HA 0.076 4.415 4.340 -0.001 0.000 0.206 443 L C 2.034 178.906 176.870 0.003 0.000 1.087 443 L CA 1.705 56.546 54.840 0.001 0.000 0.767 443 L CB -0.837 41.221 42.059 -0.001 0.000 0.917 443 L HN 0.058 nan 8.230 nan 0.000 0.441 444 A N -1.297 121.526 122.820 0.004 0.000 2.076 444 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 444 A C 2.068 179.655 177.584 0.006 0.000 1.160 444 A CA 1.493 53.534 52.037 0.006 0.000 0.653 444 A CB -0.452 18.551 19.000 0.006 0.000 0.801 444 A HN 0.662 nan 8.150 nan 0.000 0.455 445 Q N -0.472 119.331 119.800 0.005 0.000 2.425 445 Q HA 0.027 4.367 4.340 -0.001 0.000 0.204 445 Q C -0.270 175.733 176.000 0.005 0.000 0.933 445 Q CA 0.232 56.037 55.803 0.004 0.000 0.939 445 Q CB 0.161 28.901 28.738 0.003 0.000 1.044 445 Q HN 0.524 nan 8.270 nan 0.000 0.513 446 T N 1.742 116.299 114.554 0.005 0.000 2.814 446 T HA 0.199 4.549 4.350 -0.001 0.000 0.297 446 T C 0.264 174.970 174.700 0.009 0.000 0.956 446 T CA -0.118 61.985 62.100 0.006 0.000 1.123 446 T CB 0.521 69.391 68.868 0.004 0.000 0.902 446 T HN 0.164 nan 8.240 nan 0.000 0.528 447 L N 3.466 124.695 121.223 0.010 0.000 2.382 447 L HA 0.310 4.650 4.340 -0.001 0.000 0.259 447 L C 1.246 178.128 176.870 0.021 0.000 1.291 447 L CA -0.704 54.145 54.840 0.015 0.000 1.176 447 L CB -0.932 41.134 42.059 0.012 0.000 1.373 447 L HN 0.724 nan 8.230 nan 0.000 0.426 448 A N 2.549 125.384 122.820 0.025 0.000 2.409 448 A HA 0.369 4.689 4.320 -0.001 0.000 0.246 448 A C 0.386 177.997 177.584 0.045 0.000 1.099 448 A CA -0.319 51.733 52.037 0.027 0.000 0.789 448 A CB 0.424 19.438 19.000 0.024 0.000 1.053 448 A HN 0.286 nan 8.150 nan 0.000 0.503 449 V N 0.114 120.052 119.914 0.041 0.000 2.732 449 V HA 0.256 4.375 4.120 -0.001 0.000 0.297 449 V C -0.377 175.780 176.094 0.106 0.000 1.060 449 V CA 0.273 62.610 62.300 0.060 0.000 1.038 449 V CB 0.917 32.758 31.823 0.029 0.000 1.003 449 V HN 0.720 nan 8.190 nan 0.000 0.481 450 Y N 6.043 126.339 120.300 -0.007 0.000 2.376 450 Y HA 0.696 5.245 4.550 -0.001 0.000 0.340 450 Y C -2.126 173.771 175.900 -0.006 0.000 0.965 450 Y CA -2.227 55.869 58.100 -0.006 0.000 1.078 450 Y CB 1.911 40.368 38.460 -0.005 0.000 1.193 450 Y HN 0.534 nan 8.280 nan 0.000 0.452 451 P HA 0.545 nan 4.420 nan 0.000 0.298 451 P C -1.706 175.422 177.300 -0.287 0.000 1.314 451 P CA -0.436 62.244 63.100 -0.699 0.000 0.854 451 P CB 1.946 33.136 31.700 -0.851 0.000 1.019 452 S N 1.061 116.622 115.700 -0.231 0.000 2.588 452 S HA 0.317 4.787 4.470 -0.001 0.000 0.269 452 S C 0.752 175.287 174.600 -0.108 0.000 1.157 452 S CA -0.916 57.208 58.200 -0.127 0.000 0.824 452 S CB 0.802 63.960 63.200 -0.070 0.000 1.126 452 S HN 0.229 nan 8.310 nan 0.000 0.464 453 L N 1.562 122.736 121.223 -0.082 0.000 2.313 453 L HA 0.049 4.388 4.340 -0.001 0.000 0.214 453 L C 2.732 179.572 176.870 -0.050 0.000 1.119 453 L CA 1.129 55.928 54.840 -0.068 0.000 0.809 453 L CB -0.598 41.421 42.059 -0.068 0.000 0.933 453 L HN 0.937 nan 8.230 nan 0.000 0.449 454 S N 0.181 115.854 115.700 -0.044 0.000 2.507 454 S HA -0.074 4.396 4.470 -0.001 0.000 0.235 454 S C 1.953 176.544 174.600 -0.016 0.000 0.988 454 S CA 0.776 58.957 58.200 -0.030 0.000 0.944 454 S CB -0.532 62.653 63.200 -0.025 0.000 0.762 454 S HN 0.426 nan 8.310 nan 0.000 0.526 455 G N 0.668 109.460 108.800 -0.013 0.000 2.484 455 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.218 455 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.218 455 G C 1.522 176.432 174.900 0.017 0.000 1.130 455 G CA 0.625 45.735 45.100 0.017 0.000 0.784 455 G HN 0.569 nan 8.290 nan 0.000 0.543 456 S N -0.004 115.696 115.700 -0.001 0.000 2.406 456 S HA 0.051 4.521 4.470 -0.001 0.000 0.228 456 S C 2.251 176.852 174.600 0.000 0.000 1.020 456 S CA 0.269 58.471 58.200 0.003 0.000 0.965 456 S CB -0.134 63.063 63.200 -0.005 0.000 0.798 456 S HN 0.391 nan 8.310 nan 0.000 0.488 457 I N 1.531 122.095 120.570 -0.010 0.000 2.252 457 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 457 I C 2.671 178.783 176.117 -0.008 0.000 1.102 457 I CA 1.579 62.869 61.300 -0.016 0.000 1.385 457 I CB -0.560 37.424 38.000 -0.025 0.000 1.064 457 I HN 0.421 nan 8.210 nan 0.000 0.414 458 T N -2.577 111.977 114.554 0.001 0.000 2.995 458 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 458 T C 1.750 176.456 174.700 0.009 0.000 1.091 458 T CA 0.681 62.784 62.100 0.005 0.000 1.128 458 T CB -0.106 68.769 68.868 0.011 0.000 0.891 458 T HN 0.217 nan 8.240 nan 0.000 0.492 459 E N 1.443 121.651 120.200 0.014 0.000 2.046 459 E HA 0.071 4.421 4.350 -0.001 0.000 0.190 459 E C 2.637 179.243 176.600 0.011 0.000 0.982 459 E CA 1.108 57.517 56.400 0.016 0.000 0.800 459 E CB -0.544 29.169 29.700 0.023 0.000 0.756 459 E HN 0.600 nan 8.360 nan 0.000 0.449 460 A N 1.705 124.528 122.820 0.006 0.000 1.869 460 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 460 A C 2.441 180.025 177.584 0.000 0.000 1.203 460 A CA 2.950 54.988 52.037 0.001 0.000 0.638 460 A CB -0.969 18.024 19.000 -0.011 0.000 0.831 460 A HN 0.316 nan 8.150 nan 0.000 0.450 461 A N -1.004 121.813 122.820 -0.004 0.000 1.933 461 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 461 A C 2.222 179.810 177.584 0.007 0.000 1.175 461 A CA 1.782 53.820 52.037 0.001 0.000 0.628 461 A CB -0.521 18.477 19.000 -0.002 0.000 0.814 461 A HN 0.584 nan 8.150 nan 0.000 0.444 462 R N -0.207 120.297 120.500 0.008 0.000 2.103 462 R HA -0.173 4.167 4.340 -0.001 0.000 0.242 462 R C 2.248 178.554 176.300 0.010 0.000 1.142 462 R CA 1.880 57.986 56.100 0.009 0.000 0.960 462 R CB -0.225 30.082 30.300 0.010 0.000 0.858 462 R HN 0.546 nan 8.270 nan 0.000 0.439 463 R N -0.056 120.451 120.500 0.012 0.000 2.189 463 R HA -0.029 4.311 4.340 -0.001 0.000 0.218 463 R C 2.161 178.470 176.300 0.015 0.000 1.074 463 R CA 0.728 56.836 56.100 0.013 0.000 0.991 463 R CB -0.106 30.202 30.300 0.013 0.000 0.883 463 R HN 0.303 nan 8.270 nan 0.000 0.457 464 L N 0.533 121.767 121.223 0.017 0.000 2.376 464 L HA 0.031 4.371 4.340 -0.001 0.000 0.219 464 L C 0.973 177.854 176.870 0.019 0.000 1.133 464 L CA 0.117 54.971 54.840 0.023 0.000 0.816 464 L CB -0.122 41.954 42.059 0.028 0.000 0.933 464 L HN 0.208 nan 8.230 nan 0.000 0.449 465 M N 0.151 119.760 119.600 0.015 0.000 2.248 465 M HA 0.080 4.560 4.480 -0.001 0.000 0.343 465 M C 0.156 176.464 176.300 0.012 0.000 1.243 465 M CA 0.493 55.800 55.300 0.013 0.000 1.025 465 M CB 0.394 33.000 32.600 0.010 0.000 1.759 465 M HN 0.184 nan 8.290 nan 0.000 0.452 466 A N 0.000 122.827 122.820 0.011 0.000 2.254 466 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 466 A CA 0.000 52.043 52.037 0.010 0.000 0.836 466 A CB 0.000 19.007 19.000 0.012 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486