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 1pz2_1_B DATA FIRST_RESID 5 DATA SEQUENCE KATMIIEKDF KIAEIDKRIY GSFIEHLGRA VYGGIYEPGH PQADENGFRQ DATA SEQUENCE DVIELVKELQ VPIIRYPGGN FVSGYNWEDG VGPKEQRPRR LDLAWKSVET DATA SEQUENCE NEIGLNEFMD WAKMVGAEVN MAVNLGTRGI DAARNLVEYC NHPSGSYYSD DATA SEQUENCE LRIAHGYKEP HKIKTWCLGN AMDGPWQIGH KTAVEYGRIA CEAAKVMKWV DATA SEQUENCE DPTIELVVCG SSNRNMPTFA EWEATVLDHT YDHVDYISLH QYYGNRDNDT DATA SEQUENCE ANYLALSLEM DDFIRSVVAI ADYVKAKKRS KKTIHLSFDE WNVWYHSNEA DATA SEQUENCE DKLIEPWTVA PPLLEDIYNF EDALLVGCML ITLMKHADRV KIACLAQLVN DATA SEQUENCE VIAPIMTEKN GPAWKQTIYY PFMHASVYGR GVALHPVISS PKYDSKDFTD DATA SEQUENCE VPYLESIAVY NEEKEEVTIF AVNRDMEDAL LLECDVRSFE DYRVIEHIVL DATA SEQUENCE EHDNVKQTNS AQSSPVVPHR NGDAQLSDRK VSATLPKLSW NVIRLGK 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.616 176.600 0.026 0.000 0.988 5 K CA 0.000 56.292 56.287 0.009 0.000 0.838 5 K CB 0.000 32.504 32.500 0.006 0.000 1.064 6 A N 1.698 124.532 122.820 0.023 0.000 2.435 6 A HA 0.808 5.128 4.320 0.000 0.000 0.304 6 A C -0.585 177.007 177.584 0.013 0.000 1.064 6 A CA -0.484 51.571 52.037 0.031 0.000 0.727 6 A CB 1.596 20.625 19.000 0.049 0.000 1.284 6 A HN 0.683 nan 8.150 nan 0.000 0.415 7 T N -1.149 113.411 114.554 0.011 0.000 2.927 7 T HA 0.815 5.165 4.350 0.000 0.000 0.286 7 T C -0.360 174.339 174.700 -0.002 0.000 1.040 7 T CA -0.659 61.440 62.100 -0.001 0.000 1.010 7 T CB 1.545 70.409 68.868 -0.006 0.000 1.177 7 T HN 1.079 nan 8.240 nan 0.000 0.546 8 M N 1.656 121.249 119.600 -0.011 0.000 2.307 8 M HA 0.446 4.926 4.480 0.000 0.000 0.279 8 M C -2.206 174.083 176.300 -0.018 0.000 1.080 8 M CA -0.618 54.676 55.300 -0.011 0.000 0.964 8 M CB 1.480 34.076 32.600 -0.007 0.000 1.825 8 M HN 0.702 nan 8.290 nan 0.000 0.489 9 I N 5.713 126.266 120.570 -0.029 0.000 2.331 9 I HA 0.343 4.513 4.170 0.000 0.000 0.292 9 I C -0.220 175.894 176.117 -0.004 0.000 0.998 9 I CA -0.649 60.630 61.300 -0.035 0.000 1.267 9 I CB 1.166 39.115 38.000 -0.086 0.000 1.386 9 I HN 0.539 nan 8.210 nan 0.000 0.476 10 I N 5.587 126.177 120.570 0.034 0.000 2.377 10 I HA 0.252 4.422 4.170 0.000 0.000 0.282 10 I C -0.067 176.142 176.117 0.154 0.000 1.091 10 I CA -0.372 60.991 61.300 0.105 0.000 1.207 10 I CB 0.352 38.411 38.000 0.098 0.000 1.429 10 I HN 0.562 nan 8.210 nan 0.000 0.491 11 E N 5.356 125.622 120.200 0.110 0.000 2.081 11 E HA 0.144 4.495 4.350 0.000 0.000 0.276 11 E C 1.101 177.749 176.600 0.081 0.000 0.950 11 E CA -0.371 56.075 56.400 0.077 0.000 0.776 11 E CB 1.200 31.016 29.700 0.194 0.000 1.094 11 E HN 0.449 nan 8.360 nan 0.000 0.402 12 K N 3.680 123.936 120.400 -0.241 0.000 2.160 12 K HA -0.197 4.123 4.320 0.000 0.000 0.206 12 K C 0.016 176.583 176.600 -0.055 0.000 1.047 12 K CA 1.791 57.905 56.287 -0.289 0.000 0.930 12 K CB 0.194 32.137 32.500 -0.928 0.000 0.720 12 K HN 0.465 nan 8.250 nan 0.000 0.450 13 D N -0.505 119.857 120.400 -0.064 0.000 2.350 13 D HA 0.025 4.666 4.640 0.000 0.000 0.213 13 D C -0.456 175.743 176.300 -0.168 0.000 1.031 13 D CA 0.297 54.232 54.000 -0.108 0.000 0.861 13 D CB 0.106 40.788 40.800 -0.197 0.000 0.926 13 D HN 0.103 nan 8.370 nan 0.000 0.520 14 F N 1.808 121.754 119.950 -0.006 0.000 2.351 14 F HA 0.257 4.784 4.527 0.000 0.000 0.362 14 F C 0.655 176.510 175.800 0.091 0.000 1.131 14 F CA -0.417 57.598 58.000 0.024 0.000 1.187 14 F CB 0.503 39.505 39.000 0.003 0.000 1.434 14 F HN -0.551 nan 8.300 nan 0.000 0.553 15 K N 3.004 123.533 120.400 0.216 0.000 2.164 15 K HA 0.496 4.816 4.320 0.000 0.000 0.258 15 K C 0.589 177.294 176.600 0.175 0.000 0.951 15 K CA -0.618 55.782 56.287 0.188 0.000 0.844 15 K CB 2.376 34.954 32.500 0.130 0.000 1.099 15 K HN 0.436 nan 8.250 nan 0.000 0.435 16 I N 1.048 121.705 120.570 0.144 0.000 2.368 16 I HA 0.072 4.242 4.170 0.000 0.000 0.238 16 I C 0.573 176.728 176.117 0.063 0.000 1.076 16 I CA 0.522 61.874 61.300 0.087 0.000 1.397 16 I CB 0.264 38.275 38.000 0.018 0.000 1.141 16 I HN 0.677 nan 8.210 nan 0.000 0.430 17 A N -0.051 122.804 122.820 0.058 0.000 2.522 17 A HA 0.386 4.706 4.320 0.000 0.000 0.291 17 A C -1.163 176.449 177.584 0.048 0.000 1.039 17 A CA -0.628 51.436 52.037 0.045 0.000 0.643 17 A CB 0.504 19.514 19.000 0.017 0.000 1.310 17 A HN 0.106 nan 8.150 nan 0.000 0.436 18 E N 0.500 120.723 120.200 0.039 0.000 2.465 18 E HA 0.285 4.635 4.350 0.000 0.000 0.260 18 E C -0.529 176.083 176.600 0.019 0.000 0.980 18 E CA 0.382 56.802 56.400 0.034 0.000 0.927 18 E CB 0.019 29.734 29.700 0.025 0.000 0.934 18 E HN 0.379 nan 8.360 nan 0.000 0.459 19 I N 4.288 124.878 120.570 0.033 0.000 2.452 19 I HA 0.024 4.194 4.170 0.000 0.000 0.287 19 I C 0.565 176.683 176.117 0.002 0.000 1.079 19 I CA -0.116 61.192 61.300 0.014 0.000 1.387 19 I CB 0.608 38.644 38.000 0.060 0.000 1.404 19 I HN 0.518 nan 8.210 nan 0.000 0.522 20 D N 7.069 127.444 120.400 -0.042 0.000 2.383 20 D HA -0.008 4.633 4.640 0.000 0.000 0.252 20 D C 1.147 177.413 176.300 -0.057 0.000 1.166 20 D CA -0.155 53.823 54.000 -0.037 0.000 0.879 20 D CB 1.148 41.918 40.800 -0.049 0.000 1.164 20 D HN 0.564 nan 8.370 nan 0.000 0.462 21 K N 3.445 123.852 120.400 0.011 0.000 2.280 21 K HA -0.136 4.184 4.320 0.000 0.000 0.202 21 K C 1.283 177.895 176.600 0.019 0.000 1.047 21 K CA 0.759 57.095 56.287 0.081 0.000 0.942 21 K CB 0.033 32.598 32.500 0.108 0.000 0.739 21 K HN 0.288 nan 8.250 nan 0.000 0.457 22 R N 1.421 121.899 120.500 -0.035 0.000 2.357 22 R HA 0.012 4.352 4.340 0.000 0.000 0.202 22 R C 2.197 178.429 176.300 -0.112 0.000 1.047 22 R CA 0.996 57.068 56.100 -0.047 0.000 1.034 22 R CB -0.610 29.657 30.300 -0.055 0.000 0.875 22 R HN 0.520 nan 8.270 nan 0.000 0.473 23 I N -2.972 117.429 120.570 -0.281 0.000 3.176 23 I HA -0.134 4.036 4.170 0.000 0.000 0.275 23 I C 0.325 176.175 176.117 -0.446 0.000 1.298 23 I CA 1.057 62.123 61.300 -0.389 0.000 1.445 23 I CB -0.076 37.614 38.000 -0.517 0.000 1.075 23 I HN -0.035 nan 8.210 nan 0.000 0.482 24 Y N 2.432 122.743 120.300 0.018 0.000 2.625 24 Y HA 0.530 5.080 4.550 0.000 0.000 0.285 24 Y C 1.577 177.590 175.900 0.189 0.000 1.168 24 Y CA -0.788 57.311 58.100 -0.001 0.000 1.250 24 Y CB -0.584 37.751 38.460 -0.209 0.000 1.130 24 Y HN 0.116 nan 8.280 nan 0.000 0.526 25 G N -0.425 108.522 108.800 0.245 0.000 2.621 25 G HA2 0.413 4.373 3.960 0.000 0.000 0.271 25 G HA3 0.413 4.373 3.960 0.000 0.000 0.271 25 G C -0.066 174.974 174.900 0.234 0.000 1.236 25 G CA 0.020 45.245 45.100 0.208 0.000 0.958 25 G HN 0.253 nan 8.290 nan 0.000 0.512 26 S N -1.868 113.916 115.700 0.140 0.000 3.144 26 S HA 0.784 5.254 4.470 0.000 0.000 0.325 26 S C -2.096 172.608 174.600 0.174 0.000 1.161 26 S CA -0.513 57.723 58.200 0.060 0.000 0.920 26 S CB 1.297 64.463 63.200 -0.056 0.000 1.340 26 S HN 1.018 nan 8.310 nan 0.000 0.681 27 F N 1.244 121.151 119.950 -0.071 0.000 2.639 27 F HA 0.640 5.167 4.527 0.000 0.000 0.326 27 F C -2.201 173.546 175.800 -0.089 0.000 1.150 27 F CA -1.106 56.858 58.000 -0.060 0.000 1.057 27 F CB 0.641 39.581 39.000 -0.099 0.000 1.300 27 F HN 0.473 nan 8.300 nan 0.000 0.486 28 I N 5.086 125.647 120.570 -0.015 0.000 2.447 28 I HA 0.351 4.521 4.170 0.000 0.000 0.287 28 I C -0.627 175.254 176.117 -0.392 0.000 1.023 28 I CA -0.494 60.606 61.300 -0.333 0.000 1.083 28 I CB 2.044 39.968 38.000 -0.126 0.000 1.245 28 I HN 0.641 nan 8.210 nan 0.000 0.434 29 E N 4.824 124.610 120.200 -0.690 0.000 2.227 29 E HA 0.285 4.635 4.350 0.000 0.000 0.268 29 E C -0.438 175.825 176.600 -0.562 0.000 0.990 29 E CA -0.688 55.401 56.400 -0.517 0.000 0.856 29 E CB 0.947 30.339 29.700 -0.514 0.000 1.159 29 E HN 0.521 nan 8.360 nan 0.000 0.401 30 H N 3.708 122.277 119.070 -0.835 0.000 3.392 30 H HA 0.151 4.707 4.556 0.000 0.000 0.253 30 H C -0.639 174.307 175.328 -0.637 0.000 1.682 30 H CA 0.280 55.762 56.048 -0.944 0.000 1.535 30 H CB -0.288 28.356 29.762 -1.863 0.000 1.823 30 H HN 0.240 nan 8.280 nan 0.000 0.576 31 L N 1.664 122.607 121.223 -0.467 0.000 2.505 31 L HA 0.387 4.728 4.340 0.000 0.000 0.266 31 L C 0.597 177.184 176.870 -0.471 0.000 0.954 31 L CA -0.099 54.411 54.840 -0.550 0.000 0.852 31 L CB 1.391 42.930 42.059 -0.866 0.000 1.282 31 L HN 0.733 nan 8.230 nan 0.000 0.403 32 G N 4.239 112.827 108.800 -0.354 0.000 2.583 32 G HA2 -0.335 3.625 3.960 0.000 0.000 0.292 32 G HA3 -0.335 3.625 3.960 0.000 0.000 0.292 32 G C 0.370 175.160 174.900 -0.184 0.000 1.203 32 G CA 0.508 45.445 45.100 -0.271 0.000 0.987 32 G HN 0.732 nan 8.290 nan 0.000 0.554 33 R N 1.095 121.471 120.500 -0.206 0.000 2.515 33 R HA 0.496 4.836 4.340 0.000 0.000 0.294 33 R C 2.357 178.511 176.300 -0.243 0.000 1.021 33 R CA 0.679 56.684 56.100 -0.159 0.000 1.081 33 R CB 0.146 30.374 30.300 -0.119 0.000 1.263 33 R HN 0.595 nan 8.270 nan 0.000 0.557 34 A N 0.604 123.220 122.820 -0.340 0.000 1.902 34 A HA -0.098 4.222 4.320 0.000 0.000 0.217 34 A C 1.946 179.277 177.584 -0.422 0.000 1.181 34 A CA 1.419 53.217 52.037 -0.399 0.000 0.623 34 A CB -0.009 18.703 19.000 -0.480 0.000 0.818 34 A HN 0.114 nan 8.150 nan 0.000 0.443 35 V N -2.128 117.491 119.914 -0.492 0.000 2.502 35 V HA 0.016 4.137 4.120 0.000 0.000 0.234 35 V C 0.516 176.362 176.094 -0.413 0.000 1.072 35 V CA 0.360 62.291 62.300 -0.614 0.000 1.094 35 V CB -0.892 30.285 31.823 -1.076 0.000 0.761 35 V HN 0.499 nan 8.190 nan 0.000 0.489 36 Y N 1.651 121.894 120.300 -0.095 0.000 2.624 36 Y HA 0.535 5.085 4.550 0.000 0.000 0.354 36 Y C 1.223 177.091 175.900 -0.053 0.000 1.051 36 Y CA 0.247 58.349 58.100 0.003 0.000 1.377 36 Y CB -0.001 38.470 38.460 0.018 0.000 1.168 36 Y HN 0.426 nan 8.280 nan 0.000 0.525 37 G N 1.263 110.096 108.800 0.056 0.000 2.179 37 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 37 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 37 G C 0.714 175.585 174.900 -0.049 0.000 0.990 37 G CA 0.027 45.127 45.100 0.001 0.000 0.646 37 G HN 1.028 nan 8.290 nan 0.000 0.517 38 G N 0.527 109.267 108.800 -0.100 0.000 2.487 38 G HA2 0.514 4.474 3.960 0.000 0.000 0.212 38 G HA3 0.514 4.474 3.960 0.000 0.000 0.212 38 G C 1.652 176.449 174.900 -0.171 0.000 1.988 38 G CA 0.534 45.534 45.100 -0.166 0.000 0.724 38 G HN 1.013 nan 8.290 nan 0.000 0.755 39 I N -2.400 117.991 120.570 -0.300 0.000 2.546 39 I HA 0.271 4.441 4.170 0.000 0.000 0.255 39 I C 0.584 176.696 176.117 -0.009 0.000 1.163 39 I CA 0.739 61.802 61.300 -0.395 0.000 1.457 39 I CB 0.118 37.391 38.000 -1.212 0.000 1.092 39 I HN 0.085 nan 8.210 nan 0.000 0.434 40 Y N 2.143 122.369 120.300 -0.123 0.000 2.327 40 Y HA 0.545 5.095 4.550 0.000 0.000 0.325 40 Y C -0.952 174.951 175.900 0.004 0.000 0.999 40 Y CA -1.221 56.875 58.100 -0.007 0.000 1.195 40 Y CB 1.003 39.449 38.460 -0.022 0.000 1.132 40 Y HN 0.177 nan 8.280 nan 0.000 0.455 41 E N 8.676 128.648 120.200 -0.379 0.000 2.642 41 E HA 0.344 4.694 4.350 0.000 0.000 0.284 41 E C -2.931 173.472 176.600 -0.329 0.000 1.039 41 E CA -2.261 53.946 56.400 -0.320 0.000 0.777 41 E CB 1.317 30.991 29.700 -0.043 0.000 1.473 41 E HN 0.393 nan 8.360 nan 0.000 0.388 42 P HA 0.077 nan 4.420 nan 0.000 0.266 42 P C 0.683 177.907 177.300 -0.126 0.000 1.195 42 P CA 1.184 64.112 63.100 -0.286 0.000 0.768 42 P CB 0.749 32.288 31.700 -0.269 0.000 0.838 43 G N 0.696 109.459 108.800 -0.062 0.000 2.189 43 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 43 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 43 G C 0.437 175.333 174.900 -0.007 0.000 0.975 43 G CA 0.013 45.095 45.100 -0.030 0.000 0.644 43 G HN 0.796 nan 8.290 nan 0.000 0.537 44 H N 1.818 120.846 119.070 -0.070 0.000 2.928 44 H HA 0.168 4.724 4.556 0.000 0.000 0.338 44 H C -0.649 174.664 175.328 -0.025 0.000 1.047 44 H CA -0.513 55.509 56.048 -0.044 0.000 1.435 44 H CB 1.052 30.789 29.762 -0.042 0.000 1.428 44 H HN 0.079 nan 8.280 nan 0.000 0.590 45 P HA -0.164 nan 4.420 nan 0.000 0.217 45 P C 0.729 178.161 177.300 0.221 0.000 1.148 45 P CA 1.562 64.755 63.100 0.155 0.000 0.834 45 P CB 0.261 32.009 31.700 0.079 0.000 0.783 46 Q N -1.451 118.564 119.800 0.359 0.000 2.246 46 Q HA 0.293 4.633 4.340 0.000 0.000 0.202 46 Q C 0.394 176.399 176.000 0.008 0.000 0.883 46 Q CA -0.336 55.514 55.803 0.078 0.000 0.952 46 Q CB 0.268 28.983 28.738 -0.038 0.000 1.078 46 Q HN 0.143 nan 8.270 nan 0.000 0.493 47 A N 2.563 125.414 122.820 0.053 0.000 2.477 47 A HA 0.138 4.458 4.320 0.000 0.000 0.246 47 A C 0.200 177.810 177.584 0.044 0.000 1.078 47 A CA -0.443 51.612 52.037 0.030 0.000 0.770 47 A CB 0.207 19.215 19.000 0.014 0.000 1.011 47 A HN 0.273 nan 8.150 nan 0.000 0.494 48 D N 1.150 121.592 120.400 0.071 0.000 2.425 48 D HA 0.100 4.740 4.640 0.000 0.000 0.274 48 D C 0.902 177.231 176.300 0.047 0.000 1.242 48 D CA 0.268 54.315 54.000 0.078 0.000 1.060 48 D CB -0.023 40.857 40.800 0.132 0.000 1.112 48 D HN 0.631 nan 8.370 nan 0.000 0.561 49 E N -0.943 119.291 120.200 0.056 0.000 2.268 49 E HA -0.142 4.208 4.350 0.000 0.000 0.195 49 E C 0.971 177.582 176.600 0.017 0.000 0.995 49 E CA 1.033 57.455 56.400 0.037 0.000 0.836 49 E CB -0.641 29.086 29.700 0.045 0.000 0.763 49 E HN 0.453 nan 8.360 nan 0.000 0.491 50 N N -0.171 118.530 118.700 0.002 0.000 2.336 50 N HA 0.150 4.890 4.740 0.000 0.000 0.189 50 N C 0.714 176.016 175.510 -0.347 0.000 1.113 50 N CA 0.388 53.360 53.050 -0.129 0.000 0.858 50 N CB 1.111 39.567 38.487 -0.052 0.000 0.970 50 N HN 0.334 nan 8.380 nan 0.000 0.471 51 G N -0.025 108.642 108.800 -0.223 0.000 2.176 51 G HA2 -0.237 3.723 3.960 0.000 0.000 0.232 51 G HA3 -0.237 3.723 3.960 0.000 0.000 0.232 51 G C -0.331 174.469 174.900 -0.168 0.000 0.986 51 G CA -0.566 44.407 45.100 -0.212 0.000 0.643 51 G HN 0.151 nan 8.290 nan 0.000 0.522 52 F N 2.072 122.149 119.950 0.212 0.000 2.438 52 F HA 0.550 5.077 4.527 0.000 0.000 0.356 52 F C 1.396 177.246 175.800 0.083 0.000 1.099 52 F CA -0.892 57.227 58.000 0.197 0.000 1.185 52 F CB 0.660 39.843 39.000 0.304 0.000 1.115 52 F HN -0.046 nan 8.300 nan 0.000 0.526 53 R N 2.160 122.777 120.500 0.194 0.000 2.421 53 R HA -0.022 4.318 4.340 0.000 0.000 0.305 53 R C 1.137 177.471 176.300 0.055 0.000 1.039 53 R CA -0.124 55.969 56.100 -0.010 0.000 1.003 53 R CB 0.405 30.612 30.300 -0.156 0.000 0.959 53 R HN 0.597 nan 8.270 nan 0.000 0.427 54 Q N 2.427 122.231 119.800 0.006 0.000 2.167 54 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 54 Q C 1.069 177.067 176.000 -0.004 0.000 0.970 54 Q CA 2.070 57.886 55.803 0.021 0.000 0.855 54 Q CB 0.115 28.863 28.738 0.016 0.000 0.911 54 Q HN 0.700 nan 8.270 nan 0.000 0.438 55 D N -1.103 119.270 120.400 -0.046 0.000 2.117 55 D HA -0.145 4.496 4.640 0.000 0.000 0.197 55 D C 1.738 178.032 176.300 -0.009 0.000 0.987 55 D CA 1.316 55.298 54.000 -0.030 0.000 0.829 55 D CB -0.778 39.997 40.800 -0.040 0.000 0.961 55 D HN 0.199 nan 8.370 nan 0.000 0.460 56 V N 0.939 120.851 119.914 -0.004 0.000 2.343 56 V HA -0.207 3.913 4.120 0.000 0.000 0.247 56 V C 2.737 178.890 176.094 0.099 0.000 1.051 56 V CA 1.251 63.578 62.300 0.045 0.000 1.036 56 V CB -0.507 31.350 31.823 0.057 0.000 0.654 56 V HN 0.190 nan 8.190 nan 0.000 0.451 57 I N -0.203 120.430 120.570 0.104 0.000 2.208 57 I HA -0.220 3.951 4.170 0.000 0.000 0.245 57 I C 2.653 178.748 176.117 -0.036 0.000 1.097 57 I CA 1.414 62.720 61.300 0.011 0.000 1.363 57 I CB -0.356 37.622 38.000 -0.037 0.000 1.051 57 I HN 0.329 nan 8.210 nan 0.000 0.413 58 E N 0.551 120.745 120.200 -0.010 0.000 2.106 58 E HA -0.143 4.208 4.350 0.000 0.000 0.192 58 E C 2.328 178.941 176.600 0.021 0.000 0.984 58 E CA 1.025 57.421 56.400 -0.008 0.000 0.806 58 E CB -0.276 29.424 29.700 0.000 0.000 0.750 58 E HN 0.512 nan 8.360 nan 0.000 0.458 59 L N 0.313 121.561 121.223 0.042 0.000 2.093 59 L HA -0.140 4.200 4.340 0.000 0.000 0.208 59 L C 2.454 179.415 176.870 0.151 0.000 1.085 59 L CA 0.660 55.566 54.840 0.110 0.000 0.755 59 L CB -0.342 41.760 42.059 0.072 0.000 0.904 59 L HN -0.010 nan 8.230 nan 0.000 0.435 60 V N -0.254 119.700 119.914 0.067 0.000 2.379 60 V HA -0.246 3.874 4.120 0.000 0.000 0.245 60 V C 2.384 178.458 176.094 -0.033 0.000 1.044 60 V CA 1.610 63.920 62.300 0.017 0.000 1.036 60 V CB -0.466 31.358 31.823 0.002 0.000 0.664 60 V HN 0.383 nan 8.190 nan 0.000 0.453 61 K N -0.014 120.350 120.400 -0.059 0.000 2.147 61 K HA -0.225 4.095 4.320 0.000 0.000 0.205 61 K C 2.209 178.788 176.600 -0.035 0.000 1.049 61 K CA 1.632 57.875 56.287 -0.073 0.000 0.936 61 K CB -0.154 32.296 32.500 -0.084 0.000 0.722 61 K HN 0.525 nan 8.250 nan 0.000 0.446 62 E N 0.944 121.153 120.200 0.015 0.000 2.150 62 E HA -0.150 4.200 4.350 0.000 0.000 0.193 62 E C 1.711 178.303 176.600 -0.014 0.000 0.985 62 E CA 0.700 57.124 56.400 0.040 0.000 0.814 62 E CB 0.075 29.859 29.700 0.140 0.000 0.752 62 E HN 0.257 nan 8.360 nan 0.000 0.466 63 L N 0.273 121.468 121.223 -0.047 0.000 2.362 63 L HA -0.080 4.260 4.340 0.000 0.000 0.219 63 L C 0.730 177.541 176.870 -0.098 0.000 1.134 63 L CA 0.600 55.369 54.840 -0.118 0.000 0.807 63 L CB -0.260 41.744 42.059 -0.092 0.000 0.927 63 L HN 0.206 nan 8.230 nan 0.000 0.447 64 Q N -0.283 119.471 119.800 -0.077 0.000 2.463 64 Q HA -0.173 4.167 4.340 0.000 0.000 0.299 64 Q C -0.418 175.563 176.000 -0.032 0.000 1.353 64 Q CA -0.117 55.639 55.803 -0.079 0.000 0.828 64 Q CB -1.676 26.991 28.738 -0.119 0.000 1.157 64 Q HN 0.222 nan 8.270 nan 0.000 0.436 65 V N 1.069 120.991 119.914 0.013 0.000 2.446 65 V HA 0.006 4.126 4.120 0.000 0.000 0.276 65 V C -1.136 174.976 176.094 0.029 0.000 1.030 65 V CA -0.320 62.027 62.300 0.080 0.000 1.033 65 V CB 0.751 32.632 31.823 0.096 0.000 0.993 65 V HN 0.278 nan 8.190 nan 0.000 0.477 66 P HA 0.227 nan 4.420 nan 0.000 0.230 66 P C 0.119 177.424 177.300 0.009 0.000 1.168 66 P CA 0.571 63.682 63.100 0.017 0.000 0.793 66 P CB 0.668 32.390 31.700 0.037 0.000 0.851 67 I N -0.976 119.617 120.570 0.037 0.000 2.752 67 I HA 0.409 4.579 4.170 0.000 0.000 0.295 67 I C -1.785 174.380 176.117 0.079 0.000 1.219 67 I CA -1.368 59.953 61.300 0.035 0.000 1.030 67 I CB 2.239 40.248 38.000 0.013 0.000 1.259 67 I HN -0.379 nan 8.210 nan 0.000 0.423 68 I N 6.724 127.361 120.570 0.111 0.000 2.500 68 I HA 0.409 4.579 4.170 0.000 0.000 0.286 68 I C -0.270 175.975 176.117 0.214 0.000 1.063 68 I CA -0.637 60.784 61.300 0.202 0.000 1.062 68 I CB 1.862 40.050 38.000 0.313 0.000 1.223 68 I HN 0.568 nan 8.210 nan 0.000 0.435 69 R N 5.381 125.986 120.500 0.176 0.000 2.590 69 R HA 0.322 4.662 4.340 0.000 0.000 0.274 69 R C -1.755 174.719 176.300 0.289 0.000 1.061 69 R CA 0.326 56.491 56.100 0.108 0.000 1.081 69 R CB 0.676 30.889 30.300 -0.146 0.000 0.984 69 R HN 0.599 nan 8.270 nan 0.000 0.448 70 Y N 4.887 125.172 120.300 -0.025 0.000 2.573 70 Y HA 0.267 4.817 4.550 0.000 0.000 0.328 70 Y C -2.447 173.385 175.900 -0.113 0.000 1.170 70 Y CA -1.754 56.236 58.100 -0.183 0.000 1.078 70 Y CB 2.383 40.428 38.460 -0.692 0.000 1.341 70 Y HN 0.527 nan 8.280 nan 0.000 0.459 71 P HA 0.362 nan 4.420 nan 0.000 0.266 71 P C -0.142 177.006 177.300 -0.254 0.000 1.381 71 P CA 0.707 63.127 63.100 -1.133 0.000 0.940 71 P CB 1.027 31.929 31.700 -1.330 0.000 1.435 72 G N -1.770 107.077 108.800 0.079 0.000 2.451 72 G HA2 0.507 4.467 3.960 0.000 0.000 0.292 72 G HA3 0.507 4.467 3.960 0.000 0.000 0.292 72 G C -0.708 174.324 174.900 0.220 0.000 1.427 72 G CA -0.003 45.299 45.100 0.337 0.000 0.792 72 G HN 0.249 nan 8.290 nan 0.000 0.498 73 G N -0.444 108.519 108.800 0.272 0.000 2.730 73 G HA2 -0.028 3.932 3.960 0.000 0.000 0.686 73 G HA3 -0.028 3.932 3.960 0.000 0.000 0.686 73 G C 0.560 175.693 174.900 0.389 0.000 1.343 73 G CA 0.366 45.769 45.100 0.505 0.000 0.826 73 G HN 1.090 nan 8.290 nan 0.000 0.582 74 N N -0.504 118.452 118.700 0.427 0.000 2.205 74 N HA -0.112 4.628 4.740 0.000 0.000 0.186 74 N C 1.999 177.637 175.510 0.213 0.000 1.015 74 N CA 1.902 55.102 53.050 0.250 0.000 0.862 74 N CB -0.353 38.191 38.487 0.095 0.000 0.986 74 N HN 0.620 nan 8.380 nan 0.000 0.429 75 F N 1.170 121.244 119.950 0.206 0.000 2.161 75 F HA -0.132 4.395 4.527 0.000 0.000 0.300 75 F C 2.177 178.012 175.800 0.058 0.000 1.089 75 F CA 0.801 58.884 58.000 0.137 0.000 1.282 75 F CB -0.270 38.824 39.000 0.157 0.000 1.010 75 F HN -0.144 nan 8.300 nan 0.000 0.485 76 V N -0.525 119.492 119.914 0.172 0.000 2.759 76 V HA -0.210 3.910 4.120 0.000 0.000 0.256 76 V C 2.136 178.252 176.094 0.036 0.000 1.080 76 V CA 2.186 64.526 62.300 0.067 0.000 1.101 76 V CB -0.514 31.399 31.823 0.150 0.000 0.698 76 V HN 0.440 nan 8.190 nan 0.000 0.477 77 S N 0.099 115.814 115.700 0.025 0.000 2.515 77 S HA 0.032 4.502 4.470 0.000 0.000 0.231 77 S C 1.535 176.127 174.600 -0.012 0.000 0.987 77 S CA 0.941 59.155 58.200 0.023 0.000 0.936 77 S CB 0.186 63.398 63.200 0.021 0.000 0.766 77 S HN 0.740 nan 8.310 nan 0.000 0.528 78 G N -0.454 108.304 108.800 -0.070 0.000 3.519 78 G HA2 0.257 4.218 3.960 0.000 0.000 0.269 78 G HA3 0.257 4.218 3.960 0.000 0.000 0.269 78 G C -0.361 174.475 174.900 -0.105 0.000 1.028 78 G CA -0.225 44.826 45.100 -0.081 0.000 0.809 78 G HN 0.382 nan 8.290 nan 0.000 0.521 79 Y N 2.132 122.253 120.300 -0.298 0.000 2.330 79 Y HA 0.512 5.062 4.550 0.000 0.000 0.336 79 Y C -0.796 175.020 175.900 -0.139 0.000 1.036 79 Y CA -2.082 55.813 58.100 -0.341 0.000 1.125 79 Y CB 1.075 39.230 38.460 -0.509 0.000 1.194 79 Y HN -0.040 nan 8.280 nan 0.000 0.469 80 N N 7.112 125.462 118.700 -0.584 0.000 2.437 80 N HA 0.022 4.762 4.740 0.000 0.000 0.259 80 N C 0.946 175.856 175.510 -1.001 0.000 0.983 80 N CA -0.457 52.220 53.050 -0.621 0.000 0.937 80 N CB 0.619 38.844 38.487 -0.436 0.000 1.122 80 N HN 0.958 nan 8.380 nan 0.000 0.499 81 W N 2.669 123.548 121.300 -0.702 0.000 2.392 81 W HA -0.086 4.574 4.660 0.000 0.000 0.279 81 W C 0.202 176.510 176.519 -0.351 0.000 1.225 81 W CA 0.528 57.541 57.345 -0.554 0.000 1.233 81 W CB -0.421 28.923 29.460 -0.193 0.000 1.122 81 W HN 0.376 nan 8.180 nan 0.000 0.561 82 E N 1.204 120.727 120.200 -1.128 0.000 2.204 82 E HA -0.170 4.180 4.350 0.000 0.000 0.194 82 E C 1.551 177.934 176.600 -0.363 0.000 0.989 82 E CA 1.757 57.608 56.400 -0.915 0.000 0.824 82 E CB -0.514 28.613 29.700 -0.955 0.000 0.756 82 E HN 0.112 nan 8.360 nan 0.000 0.477 83 D N -0.321 119.877 120.400 -0.337 0.000 2.263 83 D HA -0.079 4.561 4.640 0.000 0.000 0.208 83 D C 1.438 177.755 176.300 0.028 0.000 0.971 83 D CA 1.290 55.207 54.000 -0.138 0.000 0.867 83 D CB -0.215 40.503 40.800 -0.137 0.000 0.929 83 D HN 0.299 nan 8.370 nan 0.000 0.492 84 G N 0.102 108.949 108.800 0.078 0.000 3.575 84 G HA2 0.340 4.300 3.960 0.000 0.000 0.273 84 G HA3 0.340 4.300 3.960 0.000 0.000 0.273 84 G C 0.299 175.352 174.900 0.255 0.000 1.053 84 G CA -0.073 45.174 45.100 0.245 0.000 0.803 84 G HN 0.188 nan 8.290 nan 0.000 0.528 85 V N -3.279 116.763 119.914 0.213 0.000 3.001 85 V HA 0.999 5.119 4.120 0.000 0.000 0.314 85 V C 0.537 176.913 176.094 0.470 0.000 1.099 85 V CA -0.317 62.177 62.300 0.324 0.000 0.989 85 V CB 1.142 33.067 31.823 0.171 0.000 1.040 85 V HN 1.364 nan 8.190 nan 0.000 0.434 86 G N 2.668 111.922 108.800 0.756 0.000 2.698 86 G HA2 -0.039 3.921 3.960 0.000 0.000 0.225 86 G HA3 -0.039 3.921 3.960 0.000 0.000 0.225 86 G C -3.067 171.932 174.900 0.165 0.000 1.345 86 G CA -0.398 44.856 45.100 0.257 0.000 0.871 86 G HN 0.975 nan 8.290 nan 0.000 0.540 87 P HA 0.204 nan 4.420 nan 0.000 0.264 87 P C 0.974 178.329 177.300 0.092 0.000 1.193 87 P CA 0.054 63.196 63.100 0.069 0.000 0.763 87 P CB 0.545 32.263 31.700 0.029 0.000 0.810 88 K N 2.348 122.811 120.400 0.105 0.000 2.218 88 K HA -0.222 4.098 4.320 0.000 0.000 0.205 88 K C 1.288 177.937 176.600 0.081 0.000 1.046 88 K CA 1.666 58.017 56.287 0.107 0.000 0.933 88 K CB -0.097 32.471 32.500 0.112 0.000 0.728 88 K HN 0.470 nan 8.250 nan 0.000 0.454 89 E N 0.870 121.107 120.200 0.063 0.000 2.150 89 E HA -0.159 4.191 4.350 0.000 0.000 0.193 89 E C 1.587 178.212 176.600 0.042 0.000 0.985 89 E CA 1.075 57.503 56.400 0.047 0.000 0.814 89 E CB 0.071 29.793 29.700 0.037 0.000 0.752 89 E HN 0.230 nan 8.360 nan 0.000 0.466 90 Q N -0.340 119.487 119.800 0.045 0.000 2.360 90 Q HA 0.157 4.497 4.340 0.000 0.000 0.202 90 Q C -0.204 175.822 176.000 0.043 0.000 0.915 90 Q CA 0.102 55.928 55.803 0.038 0.000 0.943 90 Q CB 0.539 29.298 28.738 0.034 0.000 1.064 90 Q HN 0.010 nan 8.270 nan 0.000 0.511 91 R N 2.361 122.898 120.500 0.062 0.000 2.316 91 R HA 0.195 4.535 4.340 0.000 0.000 0.314 91 R C -2.202 174.132 176.300 0.056 0.000 1.069 91 R CA -1.305 54.838 56.100 0.071 0.000 0.959 91 R CB 0.199 30.565 30.300 0.111 0.000 0.987 91 R HN 0.078 nan 8.270 nan 0.000 0.446 92 P HA 0.224 nan 4.420 nan 0.000 0.282 92 P C -0.927 176.401 177.300 0.048 0.000 1.259 92 P CA -0.694 62.423 63.100 0.028 0.000 0.826 92 P CB 1.078 32.779 31.700 0.002 0.000 1.064 93 R N 1.743 122.264 120.500 0.036 0.000 2.265 93 R HA 0.395 4.735 4.340 0.000 0.000 0.314 93 R C 0.387 176.708 176.300 0.034 0.000 1.053 93 R CA -0.438 55.689 56.100 0.046 0.000 0.931 93 R CB 0.666 30.982 30.300 0.027 0.000 1.024 93 R HN 0.354 nan 8.270 nan 0.000 0.457 94 R N 2.790 123.332 120.500 0.070 0.000 2.740 94 R HA 0.356 4.696 4.340 0.000 0.000 0.282 94 R C -0.447 175.894 176.300 0.069 0.000 0.969 94 R CA -0.976 55.156 56.100 0.053 0.000 0.918 94 R CB 1.310 31.660 30.300 0.082 0.000 1.175 94 R HN 0.502 nan 8.270 nan 0.000 0.464 95 L N 2.450 123.668 121.223 -0.008 0.000 2.407 95 L HA 0.089 4.429 4.340 0.000 0.000 0.282 95 L C 0.383 177.351 176.870 0.163 0.000 1.110 95 L CA -0.413 54.429 54.840 0.003 0.000 0.863 95 L CB 0.068 41.955 42.059 -0.287 0.000 1.207 95 L HN 0.463 nan 8.230 nan 0.000 0.454 96 D N 4.052 124.641 120.400 0.315 0.000 2.359 96 D HA 0.109 4.749 4.640 0.000 0.000 0.250 96 D C 1.060 177.558 176.300 0.330 0.000 1.264 96 D CA -0.158 54.025 54.000 0.304 0.000 0.911 96 D CB 0.859 41.929 40.800 0.450 0.000 1.056 96 D HN 0.397 nan 8.370 nan 0.000 0.499 97 L N 3.191 124.538 121.223 0.207 0.000 2.275 97 L HA -0.042 4.298 4.340 0.000 0.000 0.215 97 L C 2.313 179.197 176.870 0.023 0.000 1.119 97 L CA 0.728 55.674 54.840 0.178 0.000 0.790 97 L CB -0.498 41.629 42.059 0.113 0.000 0.919 97 L HN 0.470 nan 8.230 nan 0.000 0.443 98 A N 0.071 122.854 122.820 -0.061 0.000 1.858 98 A HA -0.187 4.133 4.320 0.000 0.000 0.216 98 A C 1.469 178.650 177.584 -0.671 0.000 1.190 98 A CA 1.486 53.281 52.037 -0.403 0.000 0.617 98 A CB -0.615 18.117 19.000 -0.445 0.000 0.827 98 A HN 0.606 nan 8.150 nan 0.000 0.443 99 W N -0.835 120.543 121.300 0.130 0.000 2.818 99 W HA 0.366 5.026 4.660 0.000 0.000 0.403 99 W C 0.055 176.565 176.519 -0.014 0.000 0.991 99 W CA -0.547 56.832 57.345 0.056 0.000 1.925 99 W CB 0.711 30.208 29.460 0.061 0.000 1.166 99 W HN 0.008 nan 8.180 nan 0.000 0.605 100 K N 0.941 121.384 120.400 0.072 0.000 3.278 100 K HA -0.188 4.132 4.320 0.000 0.000 0.270 100 K C -0.448 176.054 176.600 -0.163 0.000 0.955 100 K CA 1.006 57.117 56.287 -0.292 0.000 0.723 100 K CB -2.049 30.134 32.500 -0.528 0.000 1.382 100 K HN 0.154 nan 8.250 nan 0.000 0.461 101 S N -0.672 115.203 115.700 0.292 0.000 2.599 101 S HA 0.534 5.004 4.470 0.000 0.000 0.294 101 S C -0.047 174.842 174.600 0.482 0.000 1.094 101 S CA -0.912 57.494 58.200 0.344 0.000 0.931 101 S CB 2.804 66.165 63.200 0.268 0.000 1.093 101 S HN 0.070 nan 8.310 nan 0.000 0.488 102 V N 2.365 122.499 119.914 0.367 0.000 2.432 102 V HA 0.317 4.437 4.120 0.000 0.000 0.271 102 V C 0.040 176.261 176.094 0.211 0.000 1.046 102 V CA -0.241 62.215 62.300 0.259 0.000 0.945 102 V CB 0.931 32.859 31.823 0.175 0.000 0.992 102 V HN 0.833 nan 8.190 nan 0.000 0.471 103 E N 3.521 123.866 120.200 0.241 0.000 2.081 103 E HA 0.249 4.599 4.350 0.000 0.000 0.276 103 E C 1.105 177.819 176.600 0.190 0.000 0.950 103 E CA -0.038 56.528 56.400 0.277 0.000 0.776 103 E CB 1.438 31.413 29.700 0.459 0.000 1.094 103 E HN 0.776 nan 8.360 nan 0.000 0.402 104 T N 1.715 116.321 114.554 0.088 0.000 2.995 104 T HA -0.062 4.289 4.350 0.000 0.000 0.269 104 T C 0.528 175.316 174.700 0.146 0.000 1.091 104 T CA 0.599 62.734 62.100 0.058 0.000 1.128 104 T CB -0.273 68.562 68.868 -0.055 0.000 0.891 104 T HN 0.621 nan 8.240 nan 0.000 0.492 105 N N 1.027 119.889 118.700 0.269 0.000 2.782 105 N HA -0.190 4.550 4.740 0.000 0.000 0.251 105 N C 0.667 176.374 175.510 0.328 0.000 1.101 105 N CA 1.058 54.324 53.050 0.359 0.000 0.764 105 N CB -1.399 37.258 38.487 0.283 0.000 1.122 105 N HN 0.850 nan 8.380 nan 0.000 0.561 106 E N -0.023 120.360 120.200 0.305 0.000 2.153 106 E HA -0.078 4.272 4.350 0.000 0.000 0.194 106 E C 0.409 177.163 176.600 0.258 0.000 0.988 106 E CA 0.712 57.272 56.400 0.267 0.000 0.811 106 E CB 0.260 30.112 29.700 0.252 0.000 0.746 106 E HN 0.273 nan 8.360 nan 0.000 0.466 107 I N 1.190 121.993 120.570 0.388 0.000 2.359 107 I HA 0.377 4.548 4.170 0.000 0.000 0.294 107 I C 0.720 177.081 176.117 0.408 0.000 0.987 107 I CA -0.116 61.295 61.300 0.186 0.000 1.225 107 I CB 0.967 38.883 38.000 -0.140 0.000 1.366 107 I HN 0.119 nan 8.210 nan 0.000 0.466 108 G N 4.606 113.614 108.800 0.347 0.000 3.135 108 G HA2 0.448 4.408 3.960 0.000 0.000 0.278 108 G HA3 0.448 4.408 3.960 0.000 0.000 0.278 108 G C 0.436 175.568 174.900 0.387 0.000 1.302 108 G CA -0.512 44.845 45.100 0.427 0.000 0.880 108 G HN 0.516 nan 8.290 nan 0.000 0.574 109 L N -1.190 120.266 121.223 0.389 0.000 2.141 109 L HA 0.099 4.439 4.340 0.000 0.000 0.209 109 L C 1.816 178.732 176.870 0.077 0.000 1.094 109 L CA 2.008 57.043 54.840 0.325 0.000 0.763 109 L CB -0.695 41.557 42.059 0.321 0.000 0.908 109 L HN 0.321 nan 8.230 nan 0.000 0.437 110 N N 0.720 119.434 118.700 0.024 0.000 2.142 110 N HA -0.160 4.580 4.740 0.000 0.000 0.186 110 N C 1.815 177.265 175.510 -0.101 0.000 1.023 110 N CA 1.691 54.565 53.050 -0.295 0.000 0.852 110 N CB -0.214 37.924 38.487 -0.581 0.000 0.998 110 N HN 0.562 nan 8.380 nan 0.000 0.424 111 E N 0.228 120.503 120.200 0.125 0.000 2.153 111 E HA -0.089 4.261 4.350 0.000 0.000 0.194 111 E C 1.544 178.238 176.600 0.157 0.000 0.988 111 E CA 0.483 57.031 56.400 0.247 0.000 0.811 111 E CB -0.275 29.554 29.700 0.214 0.000 0.746 111 E HN 0.302 nan 8.360 nan 0.000 0.466 112 F N 0.630 120.515 119.950 -0.108 0.000 2.146 112 F HA -0.175 4.352 4.527 0.000 0.000 0.298 112 F C 1.860 177.509 175.800 -0.251 0.000 1.096 112 F CA 1.124 58.929 58.000 -0.324 0.000 1.275 112 F CB 0.030 38.486 39.000 -0.906 0.000 1.008 112 F HN -0.026 nan 8.300 nan 0.000 0.480 113 M N 0.067 119.535 119.600 -0.220 0.000 2.159 113 M HA -0.210 4.270 4.480 0.000 0.000 0.263 113 M C 1.774 177.948 176.300 -0.211 0.000 1.063 113 M CA 1.367 56.502 55.300 -0.275 0.000 1.110 113 M CB -1.440 30.905 32.600 -0.425 0.000 1.374 113 M HN 0.123 nan 8.290 nan 0.000 0.411 114 D N -0.782 119.573 120.400 -0.075 0.000 2.104 114 D HA -0.214 4.426 4.640 0.000 0.000 0.194 114 D C 1.761 177.898 176.300 -0.273 0.000 0.994 114 D CA 1.169 55.176 54.000 0.011 0.000 0.830 114 D CB -0.385 40.592 40.800 0.295 0.000 0.959 114 D HN 0.580 nan 8.370 nan 0.000 0.452 115 W N 1.755 122.572 121.300 -0.806 0.000 2.388 115 W HA -0.032 4.628 4.660 0.000 0.000 0.294 115 W C 2.337 178.399 176.519 -0.762 0.000 1.212 115 W CA 1.963 58.632 57.345 -1.127 0.000 1.271 115 W CB -0.206 28.386 29.460 -1.447 0.000 1.126 115 W HN -0.049 nan 8.180 nan 0.000 0.535 116 A N 0.462 122.841 122.820 -0.735 0.000 1.933 116 A HA -0.215 4.106 4.320 0.000 0.000 0.218 116 A C 1.984 179.234 177.584 -0.557 0.000 1.175 116 A CA 1.961 53.567 52.037 -0.718 0.000 0.628 116 A CB -0.923 17.789 19.000 -0.481 0.000 0.814 116 A HN 0.374 nan 8.150 nan 0.000 0.444 117 K N -0.612 119.548 120.400 -0.399 0.000 2.103 117 K HA -0.147 4.173 4.320 0.000 0.000 0.207 117 K C 2.009 178.412 176.600 -0.328 0.000 1.048 117 K CA 1.832 57.956 56.287 -0.271 0.000 0.930 117 K CB -0.238 32.173 32.500 -0.148 0.000 0.716 117 K HN 0.442 nan 8.250 nan 0.000 0.444 118 M N 0.655 119.983 119.600 -0.454 0.000 2.159 118 M HA -0.104 4.376 4.480 0.000 0.000 0.263 118 M C 2.138 178.148 176.300 -0.483 0.000 1.063 118 M CA 1.304 56.345 55.300 -0.432 0.000 1.110 118 M CB -0.462 31.846 32.600 -0.485 0.000 1.374 118 M HN 0.192 nan 8.290 nan 0.000 0.411 119 V N -2.680 116.811 119.914 -0.705 0.000 3.649 119 V HA 0.474 4.594 4.120 0.000 0.000 0.275 119 V C 1.171 177.038 176.094 -0.377 0.000 1.281 119 V CA 0.541 62.491 62.300 -0.584 0.000 1.143 119 V CB -0.862 30.463 31.823 -0.830 0.000 0.892 119 V HN 0.656 nan 8.190 nan 0.000 0.441 120 G N -0.038 108.565 108.800 -0.328 0.000 2.176 120 G HA2 -0.012 3.948 3.960 0.000 0.000 0.252 120 G HA3 -0.012 3.948 3.960 0.000 0.000 0.252 120 G C 0.185 174.978 174.900 -0.178 0.000 1.024 120 G CA 0.341 45.315 45.100 -0.209 0.000 0.755 120 G HN 1.731 nan 8.290 nan 0.000 0.507 121 A N -0.133 122.552 122.820 -0.226 0.000 2.330 121 A HA 0.794 5.114 4.320 0.000 0.000 0.327 121 A C 0.341 177.852 177.584 -0.122 0.000 1.155 121 A CA 0.163 52.109 52.037 -0.151 0.000 0.803 121 A CB 0.847 19.752 19.000 -0.158 0.000 1.208 121 A HN 1.015 nan 8.150 nan 0.000 0.477 122 E N 0.939 121.101 120.200 -0.063 0.000 2.369 122 E HA 0.509 4.859 4.350 0.000 0.000 0.255 122 E C -1.038 175.551 176.600 -0.018 0.000 1.172 122 E CA -0.609 55.765 56.400 -0.044 0.000 0.932 122 E CB 0.893 30.578 29.700 -0.026 0.000 1.040 122 E HN 0.220 nan 8.360 nan 0.000 0.454 123 V N 1.897 121.797 119.914 -0.023 0.000 2.448 123 V HA 0.162 4.283 4.120 0.000 0.000 0.295 123 V C -0.540 175.503 176.094 -0.086 0.000 1.025 123 V CA -1.007 61.304 62.300 0.020 0.000 0.859 123 V CB 1.315 33.174 31.823 0.061 0.000 0.988 123 V HN 0.739 nan 8.190 nan 0.000 0.431 124 N N 4.470 123.141 118.700 -0.049 0.000 2.645 124 N HA 0.304 5.044 4.740 0.000 0.000 0.233 124 N C -0.549 174.870 175.510 -0.151 0.000 1.058 124 N CA -0.352 52.625 53.050 -0.122 0.000 0.942 124 N CB 0.678 39.126 38.487 -0.066 0.000 1.210 124 N HN 0.658 nan 8.380 nan 0.000 0.512 125 M N 3.096 122.470 119.600 -0.377 0.000 2.211 125 M HA 0.527 5.007 4.480 0.000 0.000 0.356 125 M C -0.597 175.633 176.300 -0.117 0.000 1.216 125 M CA -0.433 54.657 55.300 -0.350 0.000 1.134 125 M CB 0.987 33.081 32.600 -0.843 0.000 1.564 125 M HN 0.518 nan 8.290 nan 0.000 0.463 126 A N 4.881 127.714 122.820 0.021 0.000 2.317 126 A HA 0.733 5.053 4.320 0.000 0.000 0.327 126 A C -0.927 176.776 177.584 0.199 0.000 1.178 126 A CA -0.697 51.412 52.037 0.121 0.000 0.817 126 A CB 0.770 19.809 19.000 0.065 0.000 1.189 126 A HN 1.062 nan 8.150 nan 0.000 0.489 127 V N 0.851 120.909 119.914 0.239 0.000 2.630 127 V HA 0.527 4.647 4.120 0.000 0.000 0.305 127 V C 0.135 176.335 176.094 0.177 0.000 1.046 127 V CA -1.150 61.280 62.300 0.216 0.000 0.934 127 V CB 1.606 33.537 31.823 0.181 0.000 1.003 127 V HN 0.842 nan 8.190 nan 0.000 0.451 128 N N 3.474 122.278 118.700 0.173 0.000 2.416 128 N HA 0.217 4.957 4.740 0.000 0.000 0.265 128 N C -0.085 175.493 175.510 0.113 0.000 1.195 128 N CA 0.001 53.133 53.050 0.137 0.000 0.943 128 N CB 0.454 39.017 38.487 0.127 0.000 1.115 128 N HN 0.852 nan 8.380 nan 0.000 0.481 129 L N 2.775 124.069 121.223 0.119 0.000 3.110 129 L HA 0.357 4.697 4.340 0.000 0.000 0.266 129 L C 1.645 178.575 176.870 0.099 0.000 1.257 129 L CA -0.415 54.496 54.840 0.118 0.000 1.038 129 L CB 0.520 42.686 42.059 0.178 0.000 1.395 129 L HN 0.566 nan 8.230 nan 0.000 0.566 130 G N 0.541 109.381 108.800 0.068 0.000 2.655 130 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 130 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 130 G C 1.457 176.375 174.900 0.029 0.000 1.279 130 G CA 1.124 46.248 45.100 0.041 0.000 0.870 130 G HN 0.313 nan 8.290 nan 0.000 0.560 131 T N -1.423 113.142 114.554 0.018 0.000 3.081 131 T HA 0.354 4.704 4.350 0.000 0.000 0.255 131 T C 1.193 175.898 174.700 0.009 0.000 1.113 131 T CA 0.110 62.215 62.100 0.007 0.000 1.082 131 T CB 0.187 69.049 68.868 -0.010 0.000 0.939 131 T HN 0.183 nan 8.240 nan 0.000 0.506 132 R N -0.770 119.744 120.500 0.023 0.000 3.076 132 R HA 0.775 5.115 4.340 0.000 0.000 0.239 132 R C 0.216 176.536 176.300 0.034 0.000 1.392 132 R CA -0.757 55.359 56.100 0.026 0.000 1.044 132 R CB 1.488 31.810 30.300 0.037 0.000 1.389 132 R HN 0.260 nan 8.270 nan 0.000 0.498 133 G N -0.307 108.512 108.800 0.030 0.000 2.894 133 G HA2 0.193 4.153 3.960 0.000 0.000 0.164 133 G HA3 0.193 4.153 3.960 0.000 0.000 0.164 133 G C 0.456 175.358 174.900 0.003 0.000 1.180 133 G CA -0.288 44.822 45.100 0.015 0.000 0.997 133 G HN 0.602 nan 8.290 nan 0.000 0.572 134 I N -1.243 119.317 120.570 -0.016 0.000 2.500 134 I HA 0.135 4.305 4.170 0.000 0.000 0.252 134 I C 1.728 177.834 176.117 -0.019 0.000 1.142 134 I CA 2.275 63.553 61.300 -0.036 0.000 1.451 134 I CB -0.140 37.828 38.000 -0.054 0.000 1.093 134 I HN 0.335 nan 8.210 nan 0.000 0.430 135 D N 1.982 122.385 120.400 0.005 0.000 2.084 135 D HA -0.149 4.492 4.640 0.000 0.000 0.194 135 D C 2.272 178.589 176.300 0.029 0.000 0.990 135 D CA 2.022 56.036 54.000 0.022 0.000 0.826 135 D CB 0.034 40.856 40.800 0.036 0.000 0.971 135 D HN 0.435 nan 8.370 nan 0.000 0.453 136 A N 0.254 123.109 122.820 0.058 0.000 2.024 136 A HA 0.008 4.328 4.320 0.000 0.000 0.220 136 A C 2.285 179.898 177.584 0.048 0.000 1.164 136 A CA 2.169 54.289 52.037 0.139 0.000 0.643 136 A CB -0.864 18.247 19.000 0.185 0.000 0.806 136 A HN 0.332 nan 8.150 nan 0.000 0.451 137 A N 0.896 123.704 122.820 -0.021 0.000 1.872 137 A HA -0.117 4.203 4.320 0.000 0.000 0.214 137 A C 2.211 179.677 177.584 -0.198 0.000 1.187 137 A CA 1.534 53.510 52.037 -0.103 0.000 0.614 137 A CB -0.506 18.439 19.000 -0.092 0.000 0.826 137 A HN 0.710 nan 8.150 nan 0.000 0.442 138 R N -0.346 120.068 120.500 -0.144 0.000 2.081 138 R HA -0.108 4.233 4.340 0.000 0.000 0.235 138 R C 1.500 177.698 176.300 -0.170 0.000 1.131 138 R CA 1.746 57.759 56.100 -0.145 0.000 0.960 138 R CB -0.692 29.576 30.300 -0.055 0.000 0.856 138 R HN 0.365 nan 8.270 nan 0.000 0.436 139 N N 0.907 119.496 118.700 -0.186 0.000 2.188 139 N HA -0.126 4.614 4.740 0.000 0.000 0.184 139 N C 1.622 176.845 175.510 -0.478 0.000 1.018 139 N CA 0.942 53.765 53.050 -0.379 0.000 0.858 139 N CB -0.231 37.935 38.487 -0.534 0.000 0.989 139 N HN 0.187 nan 8.380 nan 0.000 0.426 140 L N 0.661 121.538 121.223 -0.577 0.000 2.156 140 L HA 0.031 4.371 4.340 0.000 0.000 0.208 140 L C 1.877 178.546 176.870 -0.336 0.000 1.095 140 L CA 1.022 55.339 54.840 -0.872 0.000 0.770 140 L CB -0.380 41.120 42.059 -0.932 0.000 0.914 140 L HN -0.125 nan 8.230 nan 0.000 0.439 141 V N -0.343 119.347 119.914 -0.374 0.000 2.358 141 V HA -0.256 3.864 4.120 0.000 0.000 0.246 141 V C 2.540 178.589 176.094 -0.074 0.000 1.047 141 V CA 1.834 63.910 62.300 -0.374 0.000 1.035 141 V CB -0.572 30.875 31.823 -0.628 0.000 0.658 141 V HN 0.563 nan 8.190 nan 0.000 0.452 142 E N -0.492 119.675 120.200 -0.054 0.000 2.051 142 E HA -0.288 4.062 4.350 0.000 0.000 0.192 142 E C 2.210 178.909 176.600 0.165 0.000 0.991 142 E CA 1.812 58.259 56.400 0.078 0.000 0.799 142 E CB -0.278 29.478 29.700 0.093 0.000 0.748 142 E HN 0.691 nan 8.360 nan 0.000 0.449 143 Y N 0.522 120.818 120.300 -0.008 0.000 2.145 143 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 143 Y C 2.293 178.227 175.900 0.057 0.000 1.145 143 Y CA 1.939 60.062 58.100 0.038 0.000 1.148 143 Y CB -0.366 38.011 38.460 -0.138 0.000 0.981 143 Y HN 0.193 nan 8.280 nan 0.000 0.507 144 C N 0.262 119.703 119.300 0.235 0.000 2.475 144 C HA -0.032 4.428 4.460 0.000 0.000 0.279 144 C C 2.011 177.106 174.990 0.175 0.000 1.322 144 C CA 1.283 60.469 59.018 0.279 0.000 1.734 144 C CB -0.958 27.061 27.740 0.465 0.000 2.005 144 C HN 0.615 nan 8.230 nan 0.000 0.495 145 N N -1.949 116.857 118.700 0.175 0.000 2.382 145 N HA 0.043 4.784 4.740 0.000 0.000 0.200 145 N C 0.417 175.999 175.510 0.121 0.000 1.122 145 N CA 0.103 53.248 53.050 0.160 0.000 0.870 145 N CB -0.344 38.266 38.487 0.204 0.000 1.176 145 N HN 0.568 nan 8.380 nan 0.000 0.474 146 H N 1.914 121.007 119.070 0.037 0.000 2.722 146 H HA 0.100 4.656 4.556 0.000 0.000 0.328 146 H C -1.586 173.747 175.328 0.009 0.000 1.067 146 H CA -1.314 54.753 56.048 0.033 0.000 1.447 146 H CB 1.811 31.604 29.762 0.051 0.000 1.469 146 H HN -0.075 nan 8.280 nan 0.000 0.544 147 P HA -0.159 nan 4.420 nan 0.000 0.213 147 P C -0.203 177.016 177.300 -0.135 0.000 1.170 147 P CA 1.752 64.712 63.100 -0.234 0.000 0.902 147 P CB 0.326 31.869 31.700 -0.262 0.000 0.789 148 S N -6.180 109.449 115.700 -0.118 0.000 2.683 148 S HA 0.473 4.943 4.470 0.000 0.000 0.264 148 S C 0.506 175.171 174.600 0.108 0.000 1.066 148 S CA -0.175 58.033 58.200 0.014 0.000 0.846 148 S CB 0.350 63.541 63.200 -0.016 0.000 1.114 148 S HN 0.505 nan 8.310 nan 0.000 0.476 149 G N 0.025 108.890 108.800 0.107 0.000 2.157 149 G HA2 -0.019 3.941 3.960 0.000 0.000 0.248 149 G HA3 -0.019 3.941 3.960 0.000 0.000 0.248 149 G C 0.176 175.165 174.900 0.148 0.000 0.979 149 G CA 0.742 45.915 45.100 0.123 0.000 0.650 149 G HN 2.190 nan 8.290 nan 0.000 0.529 150 S N -1.760 114.040 115.700 0.168 0.000 2.667 150 S HA 0.664 5.134 4.470 0.000 0.000 0.292 150 S C 0.531 175.215 174.600 0.140 0.000 1.126 150 S CA 0.032 58.319 58.200 0.144 0.000 0.881 150 S CB 1.756 65.022 63.200 0.111 0.000 1.132 150 S HN 1.000 nan 8.310 nan 0.000 0.492 151 Y N 1.007 121.318 120.300 0.018 0.000 2.081 151 Y HA -0.204 4.346 4.550 0.000 0.000 0.280 151 Y C 1.701 177.591 175.900 -0.017 0.000 1.163 151 Y CA 1.943 60.004 58.100 -0.065 0.000 1.135 151 Y CB -0.576 37.748 38.460 -0.227 0.000 0.970 151 Y HN 0.775 nan 8.280 nan 0.000 0.498 152 Y N -0.003 120.443 120.300 0.244 0.000 2.337 152 Y HA -0.140 4.411 4.550 0.000 0.000 0.293 152 Y C 2.952 178.924 175.900 0.121 0.000 1.123 152 Y CA 1.254 59.513 58.100 0.265 0.000 1.201 152 Y CB -0.793 37.925 38.460 0.430 0.000 1.011 152 Y HN 0.297 nan 8.280 nan 0.000 0.545 153 S N -0.528 115.297 115.700 0.208 0.000 2.355 153 S HA -0.165 4.306 4.470 0.000 0.000 0.222 153 S C 1.553 176.145 174.600 -0.014 0.000 1.031 153 S CA 1.405 59.655 58.200 0.083 0.000 0.993 153 S CB -0.513 62.813 63.200 0.210 0.000 0.859 153 S HN 0.329 nan 8.310 nan 0.000 0.453 154 D N 1.407 121.807 120.400 0.001 0.000 2.263 154 D HA -0.005 4.635 4.640 0.000 0.000 0.208 154 D C 1.769 178.046 176.300 -0.039 0.000 0.971 154 D CA 0.575 54.559 54.000 -0.027 0.000 0.867 154 D CB -0.376 40.407 40.800 -0.028 0.000 0.929 154 D HN 0.360 nan 8.370 nan 0.000 0.492 155 L N 0.786 121.968 121.223 -0.069 0.000 2.072 155 L HA -0.026 4.314 4.340 0.000 0.000 0.205 155 L C 2.241 179.273 176.870 0.270 0.000 1.079 155 L CA 1.369 56.257 54.840 0.080 0.000 0.752 155 L CB -0.292 41.806 42.059 0.065 0.000 0.906 155 L HN -0.184 nan 8.230 nan 0.000 0.436 156 R N -0.171 120.225 120.500 -0.173 0.000 2.091 156 R HA -0.179 4.161 4.340 0.000 0.000 0.238 156 R C 2.292 178.608 176.300 0.026 0.000 1.136 156 R CA 2.156 57.989 56.100 -0.445 0.000 0.959 156 R CB -0.458 29.274 30.300 -0.946 0.000 0.856 156 R HN 0.463 nan 8.270 nan 0.000 0.437 157 I N 0.795 121.367 120.570 0.004 0.000 2.127 157 I HA -0.276 3.894 4.170 0.000 0.000 0.241 157 I C 2.590 178.767 176.117 0.100 0.000 1.075 157 I CA 1.471 62.796 61.300 0.041 0.000 1.334 157 I CB -0.427 37.575 38.000 0.004 0.000 1.040 157 I HN 0.285 nan 8.210 nan 0.000 0.405 158 A N -0.160 122.732 122.820 0.121 0.000 1.978 158 A HA -0.270 4.051 4.320 0.000 0.000 0.220 158 A C 1.956 179.629 177.584 0.149 0.000 1.170 158 A CA 1.804 53.909 52.037 0.112 0.000 0.636 158 A CB -1.023 18.029 19.000 0.088 0.000 0.810 158 A HN 0.483 nan 8.150 nan 0.000 0.448 159 H N -1.627 117.548 119.070 0.174 0.000 2.547 159 H HA 0.294 4.851 4.556 0.000 0.000 0.272 159 H C 1.498 176.996 175.328 0.283 0.000 0.989 159 H CA 0.929 57.141 56.048 0.272 0.000 1.214 159 H CB 0.205 30.217 29.762 0.417 0.000 1.389 159 H HN 0.644 nan 8.280 nan 0.000 0.577 160 G N -0.863 108.099 108.800 0.269 0.000 2.145 160 G HA2 -0.210 3.750 3.960 0.000 0.000 0.145 160 G HA3 -0.210 3.750 3.960 0.000 0.000 0.145 160 G C -0.790 173.901 174.900 -0.347 0.000 1.017 160 G CA -0.585 44.493 45.100 -0.036 0.000 0.682 160 G HN 0.304 nan 8.290 nan 0.000 0.504 161 Y N 0.137 120.476 120.300 0.066 0.000 2.594 161 Y HA 0.469 5.019 4.550 0.000 0.000 0.338 161 Y C 1.171 177.020 175.900 -0.086 0.000 1.019 161 Y CA -0.649 57.449 58.100 -0.002 0.000 1.306 161 Y CB 1.516 39.974 38.460 -0.003 0.000 1.094 161 Y HN 0.108 nan 8.280 nan 0.000 0.534 162 K N 0.729 121.132 120.400 0.005 0.000 2.062 162 K HA -0.013 4.307 4.320 0.000 0.000 0.205 162 K C 0.131 176.707 176.600 -0.041 0.000 1.051 162 K CA 1.040 57.315 56.287 -0.020 0.000 0.941 162 K CB 0.379 32.865 32.500 -0.024 0.000 0.719 162 K HN 0.353 nan 8.250 nan 0.000 0.440 163 E N 2.153 122.331 120.200 -0.037 0.000 2.331 163 E HA 0.180 4.530 4.350 0.000 0.000 0.272 163 E C -2.378 174.149 176.600 -0.121 0.000 1.036 163 E CA -2.961 53.408 56.400 -0.052 0.000 0.864 163 E CB 0.910 30.600 29.700 -0.018 0.000 1.035 163 E HN 0.245 nan 8.360 nan 0.000 0.408 164 P HA 0.003 nan 4.420 nan 0.000 0.266 164 P C 0.529 177.759 177.300 -0.118 0.000 1.195 164 P CA 0.039 63.050 63.100 -0.148 0.000 0.768 164 P CB 0.611 32.283 31.700 -0.046 0.000 0.838 165 H N 2.165 121.265 119.070 0.051 0.000 2.456 165 H HA -0.079 4.477 4.556 0.000 0.000 0.296 165 H C 0.969 176.332 175.328 0.058 0.000 1.079 165 H CA 0.979 57.057 56.048 0.050 0.000 1.322 165 H CB -0.092 29.694 29.762 0.038 0.000 1.388 165 H HN 0.540 nan 8.280 nan 0.000 0.538 166 K N 0.595 121.101 120.400 0.176 0.000 3.257 166 K HA -0.178 4.142 4.320 0.000 0.000 0.270 166 K C -0.757 175.942 176.600 0.165 0.000 0.984 166 K CA -0.021 56.359 56.287 0.155 0.000 0.739 166 K CB -1.561 30.998 32.500 0.098 0.000 1.351 166 K HN 0.262 nan 8.250 nan 0.000 0.463 167 I N 1.743 122.438 120.570 0.207 0.000 2.533 167 I HA -0.078 4.092 4.170 0.000 0.000 0.284 167 I C 1.503 177.757 176.117 0.229 0.000 1.109 167 I CA 0.070 61.419 61.300 0.083 0.000 1.412 167 I CB 0.934 38.807 38.000 -0.212 0.000 1.396 167 I HN 0.248 nan 8.210 nan 0.000 0.543 168 K N 3.861 124.334 120.400 0.121 0.000 2.067 168 K HA 0.067 4.387 4.320 0.000 0.000 0.203 168 K C 0.300 177.061 176.600 0.268 0.000 1.048 168 K CA 1.117 57.522 56.287 0.196 0.000 0.954 168 K CB 0.346 32.918 32.500 0.120 0.000 0.737 168 K HN 0.608 nan 8.250 nan 0.000 0.444 169 T N 1.197 115.806 114.554 0.092 0.000 2.809 169 T HA 0.359 4.709 4.350 0.000 0.000 0.296 169 T C -1.485 173.213 174.700 -0.004 0.000 1.015 169 T CA -0.524 61.655 62.100 0.132 0.000 0.954 169 T CB 0.394 69.279 68.868 0.029 0.000 0.950 169 T HN 0.137 nan 8.240 nan 0.000 0.450 170 W N 1.547 122.883 121.300 0.059 0.000 2.627 170 W HA 0.557 5.217 4.660 0.000 0.000 0.339 170 W C -0.291 176.260 176.519 0.053 0.000 1.058 170 W CA -1.033 56.341 57.345 0.049 0.000 1.223 170 W CB 0.800 30.281 29.460 0.035 0.000 1.389 170 W HN 0.458 nan 8.180 nan 0.000 0.541 171 C N 3.314 122.765 119.300 0.251 0.000 2.285 171 C HA 0.404 4.864 4.460 0.000 0.000 0.335 171 C C 0.574 175.696 174.990 0.220 0.000 1.267 171 C CA -0.816 58.314 59.018 0.187 0.000 1.762 171 C CB -0.852 26.949 27.740 0.102 0.000 2.365 171 C HN 0.425 nan 8.230 nan 0.000 0.527 172 L N 5.216 126.566 121.223 0.211 0.000 2.415 172 L HA 0.408 4.748 4.340 0.000 0.000 0.269 172 L C 1.215 178.257 176.870 0.286 0.000 1.244 172 L CA 0.784 55.751 54.840 0.211 0.000 1.113 172 L CB -1.194 40.958 42.059 0.156 0.000 1.352 172 L HN 1.124 nan 8.230 nan 0.000 0.433 173 G N 2.375 111.307 108.800 0.220 0.000 2.750 173 G HA2 -0.302 3.658 3.960 0.000 0.000 0.228 173 G HA3 -0.302 3.658 3.960 0.000 0.000 0.228 173 G C -0.706 174.270 174.900 0.127 0.000 1.367 173 G CA -0.278 44.933 45.100 0.185 0.000 0.871 173 G HN 0.649 nan 8.290 nan 0.000 0.560 174 N N -0.628 118.119 118.700 0.077 0.000 2.471 174 N HA 0.711 5.451 4.740 0.000 0.000 0.288 174 N C 0.476 175.959 175.510 -0.045 0.000 1.220 174 N CA 0.473 53.563 53.050 0.065 0.000 0.893 174 N CB 1.471 40.030 38.487 0.120 0.000 1.256 174 N HN 1.654 nan 8.380 nan 0.000 0.534 175 A N 1.580 124.373 122.820 -0.045 0.000 2.553 175 A HA 0.091 4.411 4.320 0.000 0.000 0.258 175 A C 0.426 177.836 177.584 -0.290 0.000 1.069 175 A CA 0.624 52.525 52.037 -0.227 0.000 0.767 175 A CB -0.630 18.246 19.000 -0.208 0.000 0.997 175 A HN 0.810 nan 8.150 nan 0.000 0.512 176 M N 2.060 121.424 119.600 -0.394 0.000 2.576 176 M HA 0.063 4.543 4.480 0.000 0.000 0.322 176 M C 0.744 176.856 176.300 -0.315 0.000 1.184 176 M CA -0.000 55.123 55.300 -0.295 0.000 0.967 176 M CB 0.417 32.919 32.600 -0.162 0.000 1.372 176 M HN 0.885 nan 8.290 nan 0.000 0.509 177 D N -0.248 119.710 120.400 -0.737 0.000 2.348 177 D HA -0.021 4.619 4.640 0.000 0.000 0.216 177 D C 0.809 176.863 176.300 -0.411 0.000 0.970 177 D CA 0.384 53.921 54.000 -0.772 0.000 0.889 177 D CB -0.195 39.730 40.800 -1.459 0.000 0.912 177 D HN 0.248 nan 8.370 nan 0.000 0.524 178 G N 1.228 109.578 108.800 -0.750 0.000 2.395 178 G HA2 0.354 4.315 3.960 0.000 0.000 0.283 178 G HA3 0.354 4.315 3.960 0.000 0.000 0.283 178 G C -1.611 172.726 174.900 -0.939 0.000 1.178 178 G CA -1.259 43.040 45.100 -1.335 0.000 0.837 178 G HN -0.110 nan 8.290 nan 0.000 0.518 179 P HA -0.087 nan 4.420 nan 0.000 0.228 179 P C 0.866 178.065 177.300 -0.170 0.000 1.151 179 P CA 0.882 63.721 63.100 -0.434 0.000 0.770 179 P CB 0.038 31.620 31.700 -0.196 0.000 0.786 180 W N -0.880 120.357 121.300 -0.106 0.000 3.278 180 W HA 0.438 5.098 4.660 0.000 0.000 0.308 180 W C 0.473 176.946 176.519 -0.077 0.000 1.253 180 W CA -0.528 56.765 57.345 -0.087 0.000 1.759 180 W CB -1.021 28.387 29.460 -0.087 0.000 1.093 180 W HN -0.195 nan 8.180 nan 0.000 0.648 181 Q N 1.984 121.547 119.800 -0.395 0.000 2.259 181 Q HA 0.337 4.677 4.340 0.000 0.000 0.246 181 Q C -0.133 175.819 176.000 -0.079 0.000 0.920 181 Q CA -0.397 55.263 55.803 -0.238 0.000 0.895 181 Q CB 0.838 29.377 28.738 -0.331 0.000 1.220 181 Q HN 0.312 nan 8.270 nan 0.000 0.439 182 I N 2.818 123.364 120.570 -0.040 0.000 2.533 182 I HA 0.176 4.346 4.170 0.000 0.000 0.284 182 I C 1.035 177.151 176.117 -0.002 0.000 1.109 182 I CA 0.747 62.039 61.300 -0.014 0.000 1.412 182 I CB 0.254 38.245 38.000 -0.015 0.000 1.396 182 I HN 0.931 nan 8.210 nan 0.000 0.543 183 G N 4.922 113.733 108.800 0.018 0.000 2.272 183 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 183 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 183 G C 0.442 175.362 174.900 0.033 0.000 1.067 183 G CA -0.032 45.085 45.100 0.028 0.000 0.902 183 G HN 0.938 nan 8.290 nan 0.000 0.500 184 H N 0.536 119.568 119.070 -0.063 0.000 3.134 184 H HA 0.206 4.762 4.556 0.000 0.000 0.326 184 H C 0.110 175.440 175.328 0.004 0.000 1.017 184 H CA 1.063 57.062 56.048 -0.082 0.000 1.359 184 H CB 0.439 30.128 29.762 -0.123 0.000 1.300 184 H HN 0.419 nan 8.280 nan 0.000 0.596 185 K N 3.238 123.259 120.400 -0.631 0.000 2.464 185 K HA 0.174 4.495 4.320 0.000 0.000 0.253 185 K C -0.135 176.215 176.600 -0.417 0.000 0.933 185 K CA -0.802 55.233 56.287 -0.419 0.000 0.801 185 K CB 2.004 34.491 32.500 -0.022 0.000 1.271 185 K HN 0.781 nan 8.250 nan 0.000 0.430 186 T N -1.281 113.140 114.554 -0.223 0.000 2.795 186 T HA 0.093 4.443 4.350 0.000 0.000 0.314 186 T C 1.410 176.076 174.700 -0.056 0.000 1.069 186 T CA 0.117 62.220 62.100 0.005 0.000 1.071 186 T CB 1.023 69.895 68.868 0.007 0.000 0.988 186 T HN 0.635 nan 8.240 nan 0.000 0.543 187 A N 1.172 123.874 122.820 -0.197 0.000 1.940 187 A HA -0.014 4.306 4.320 0.000 0.000 0.219 187 A C 2.446 179.726 177.584 -0.506 0.000 1.176 187 A CA 1.768 53.343 52.037 -0.770 0.000 0.631 187 A CB -1.232 17.395 19.000 -0.622 0.000 0.814 187 A HN 0.758 nan 8.150 nan 0.000 0.446 188 V N -0.135 119.593 119.914 -0.309 0.000 2.307 188 V HA -0.263 3.857 4.120 0.000 0.000 0.245 188 V C 2.421 178.449 176.094 -0.109 0.000 1.045 188 V CA 2.313 64.463 62.300 -0.249 0.000 1.024 188 V CB -0.828 30.932 31.823 -0.105 0.000 0.651 188 V HN 0.650 nan 8.190 nan 0.000 0.449 189 E N -0.913 119.241 120.200 -0.078 0.000 2.077 189 E HA -0.262 4.088 4.350 0.000 0.000 0.193 189 E C 2.131 178.711 176.600 -0.033 0.000 0.989 189 E CA 1.809 58.188 56.400 -0.035 0.000 0.800 189 E CB -0.267 29.418 29.700 -0.026 0.000 0.746 189 E HN 0.742 nan 8.360 nan 0.000 0.452 190 Y N 0.962 121.170 120.300 -0.154 0.000 2.200 190 Y HA -0.066 4.484 4.550 0.000 0.000 0.290 190 Y C 2.222 178.042 175.900 -0.133 0.000 1.137 190 Y CA 1.650 59.676 58.100 -0.123 0.000 1.163 190 Y CB -0.719 37.685 38.460 -0.093 0.000 0.988 190 Y HN -0.028 nan 8.280 nan 0.000 0.518 191 G N 0.812 109.366 108.800 -0.409 0.000 2.440 191 G HA2 -0.243 3.718 3.960 0.000 0.000 0.218 191 G HA3 -0.243 3.718 3.960 0.000 0.000 0.218 191 G C 1.813 176.618 174.900 -0.158 0.000 1.154 191 G CA 0.802 45.693 45.100 -0.348 0.000 0.767 191 G HN 0.238 nan 8.290 nan 0.000 0.552 192 R N -0.087 120.401 120.500 -0.021 0.000 2.075 192 R HA 0.118 4.459 4.340 0.000 0.000 0.232 192 R C 2.492 178.693 176.300 -0.165 0.000 1.126 192 R CA 0.683 56.735 56.100 -0.081 0.000 0.963 192 R CB -0.857 29.414 30.300 -0.048 0.000 0.858 192 R HN 0.473 nan 8.270 nan 0.000 0.435 193 I N 0.579 121.044 120.570 -0.175 0.000 2.439 193 I HA -0.163 4.007 4.170 0.000 0.000 0.251 193 I C 2.027 178.009 176.117 -0.225 0.000 1.139 193 I CA 0.892 62.097 61.300 -0.159 0.000 1.438 193 I CB -0.116 37.837 38.000 -0.078 0.000 1.085 193 I HN 0.070 nan 8.210 nan 0.000 0.427 194 A N -0.200 122.386 122.820 -0.389 0.000 1.902 194 A HA -0.295 4.025 4.320 0.000 0.000 0.217 194 A C 2.534 179.942 177.584 -0.293 0.000 1.181 194 A CA 1.749 53.547 52.037 -0.398 0.000 0.623 194 A CB -1.475 17.084 19.000 -0.735 0.000 0.818 194 A HN 0.671 nan 8.150 nan 0.000 0.443 195 C N -0.279 118.845 119.300 -0.294 0.000 2.413 195 C HA -0.110 4.350 4.460 0.000 0.000 0.277 195 C C 2.610 177.358 174.990 -0.403 0.000 1.228 195 C CA 1.693 60.526 59.018 -0.310 0.000 1.731 195 C CB -1.072 26.514 27.740 -0.256 0.000 2.042 195 C HN 0.637 nan 8.230 nan 0.000 0.468 196 E N 0.806 120.819 120.200 -0.311 0.000 2.152 196 E HA -0.020 4.330 4.350 0.000 0.000 0.192 196 E C 2.407 178.839 176.600 -0.280 0.000 0.983 196 E CA 1.314 57.539 56.400 -0.292 0.000 0.818 196 E CB -0.795 28.796 29.700 -0.182 0.000 0.758 196 E HN 0.775 nan 8.360 nan 0.000 0.467 197 A N 1.738 124.420 122.820 -0.230 0.000 1.902 197 A HA -0.071 4.249 4.320 0.000 0.000 0.217 197 A C 2.449 179.878 177.584 -0.258 0.000 1.181 197 A CA 2.034 53.952 52.037 -0.199 0.000 0.623 197 A CB -0.622 18.300 19.000 -0.131 0.000 0.818 197 A HN 0.264 nan 8.150 nan 0.000 0.443 198 A N -0.173 122.479 122.820 -0.279 0.000 1.902 198 A HA -0.183 4.137 4.320 0.000 0.000 0.217 198 A C 2.105 179.446 177.584 -0.405 0.000 1.181 198 A CA 1.960 53.833 52.037 -0.273 0.000 0.623 198 A CB -0.457 18.422 19.000 -0.202 0.000 0.818 198 A HN 0.556 nan 8.150 nan 0.000 0.443 199 K N -0.331 119.707 120.400 -0.603 0.000 1.991 199 K HA -0.149 4.172 4.320 0.000 0.000 0.212 199 K C 1.989 177.951 176.600 -1.062 0.000 1.049 199 K CA 1.952 57.644 56.287 -0.991 0.000 0.932 199 K CB -0.599 31.195 32.500 -1.177 0.000 0.717 199 K HN 0.517 nan 8.250 nan 0.000 0.441 200 V N -0.979 118.581 119.914 -0.590 0.000 2.427 200 V HA -0.218 3.902 4.120 0.000 0.000 0.248 200 V C 2.092 178.093 176.094 -0.156 0.000 1.051 200 V CA 1.482 63.678 62.300 -0.173 0.000 1.048 200 V CB -0.703 31.107 31.823 -0.021 0.000 0.666 200 V HN 0.238 nan 8.190 nan 0.000 0.456 201 M N 0.237 119.677 119.600 -0.266 0.000 2.065 201 M HA -0.178 4.302 4.480 0.000 0.000 0.259 201 M C 2.479 178.631 176.300 -0.246 0.000 1.069 201 M CA 2.415 57.532 55.300 -0.305 0.000 1.110 201 M CB -0.544 31.818 32.600 -0.396 0.000 1.328 201 M HN 0.225 nan 8.290 nan 0.000 0.405 202 K N -0.704 119.542 120.400 -0.258 0.000 2.211 202 K HA -0.147 4.173 4.320 0.000 0.000 0.203 202 K C 1.798 178.388 176.600 -0.016 0.000 1.050 202 K CA 0.948 57.139 56.287 -0.160 0.000 0.945 202 K CB 0.030 32.422 32.500 -0.180 0.000 0.732 202 K HN 0.357 nan 8.250 nan 0.000 0.451 203 W N 0.215 121.481 121.300 -0.056 0.000 2.388 203 W HA -0.103 4.557 4.660 0.000 0.000 0.294 203 W C 1.827 178.322 176.519 -0.041 0.000 1.212 203 W CA 0.374 57.696 57.345 -0.040 0.000 1.271 203 W CB -0.924 28.511 29.460 -0.043 0.000 1.126 203 W HN -0.143 nan 8.180 nan 0.000 0.535 204 V N 0.149 120.146 119.914 0.139 0.000 2.261 204 V HA -0.182 3.939 4.120 0.000 0.000 0.246 204 V C 0.285 176.425 176.094 0.077 0.000 1.047 204 V CA 2.176 64.511 62.300 0.058 0.000 1.015 204 V CB -0.587 31.223 31.823 -0.023 0.000 0.642 204 V HN -0.104 nan 8.190 nan 0.000 0.446 205 D N -1.583 118.839 120.400 0.037 0.000 2.336 205 D HA 0.284 4.924 4.640 0.000 0.000 0.248 205 D C -2.345 173.981 176.300 0.042 0.000 1.326 205 D CA -1.996 52.038 54.000 0.056 0.000 0.973 205 D CB 1.883 42.715 40.800 0.053 0.000 1.255 205 D HN 0.045 nan 8.370 nan 0.000 0.558 206 P HA -0.056 nan 4.420 nan 0.000 0.231 206 P C 1.188 178.522 177.300 0.056 0.000 1.158 206 P CA 0.983 64.119 63.100 0.061 0.000 0.763 206 P CB 0.171 31.920 31.700 0.082 0.000 0.805 207 T N -3.183 111.413 114.554 0.069 0.000 3.055 207 T HA 0.006 4.357 4.350 0.000 0.000 0.265 207 T C 1.012 175.774 174.700 0.104 0.000 1.111 207 T CA -0.139 62.010 62.100 0.081 0.000 1.118 207 T CB -1.052 67.869 68.868 0.088 0.000 0.909 207 T HN 0.138 nan 8.240 nan 0.000 0.501 208 I N 0.352 120.986 120.570 0.107 0.000 3.004 208 I HA 0.484 4.655 4.170 0.000 0.000 0.287 208 I C -0.225 175.977 176.117 0.142 0.000 1.144 208 I CA -1.028 60.372 61.300 0.166 0.000 1.353 208 I CB 0.674 38.750 38.000 0.126 0.000 1.417 208 I HN 0.282 nan 8.210 nan 0.000 0.602 209 E N 4.641 124.973 120.200 0.220 0.000 2.288 209 E HA 0.689 5.039 4.350 0.000 0.000 0.268 209 E C -1.627 175.134 176.600 0.268 0.000 0.885 209 E CA -1.008 55.517 56.400 0.207 0.000 0.767 209 E CB 2.383 32.244 29.700 0.268 0.000 1.220 209 E HN 0.613 nan 8.360 nan 0.000 0.427 210 L N 1.625 122.969 121.223 0.201 0.000 2.346 210 L HA 0.511 4.851 4.340 0.000 0.000 0.276 210 L C -0.853 176.163 176.870 0.243 0.000 1.006 210 L CA -1.326 53.632 54.840 0.196 0.000 0.817 210 L CB 2.112 44.218 42.059 0.079 0.000 1.272 210 L HN 0.426 nan 8.230 nan 0.000 0.421 211 V N 3.409 123.468 119.914 0.241 0.000 2.328 211 V HA 0.308 4.428 4.120 0.000 0.000 0.278 211 V C 0.117 176.321 176.094 0.183 0.000 1.021 211 V CA -0.799 61.638 62.300 0.227 0.000 0.838 211 V CB 1.603 33.524 31.823 0.163 0.000 0.999 211 V HN 0.503 nan 8.190 nan 0.000 0.447 212 V N 1.942 121.955 119.914 0.165 0.000 2.732 212 V HA 0.405 4.525 4.120 0.000 0.000 0.297 212 V C 0.382 176.629 176.094 0.256 0.000 1.060 212 V CA -0.784 61.648 62.300 0.221 0.000 1.038 212 V CB 0.871 32.791 31.823 0.163 0.000 1.003 212 V HN 0.832 nan 8.190 nan 0.000 0.481 213 C N 4.386 123.900 119.300 0.357 0.000 2.576 213 C HA 0.643 5.103 4.460 0.000 0.000 0.401 213 C C 1.406 176.590 174.990 0.323 0.000 1.314 213 C CA 0.458 59.586 59.018 0.182 0.000 1.855 213 C CB -0.497 27.223 27.740 -0.033 0.000 2.537 213 C HN 1.227 nan 8.230 nan 0.000 0.578 214 G N 2.661 111.546 108.800 0.142 0.000 2.509 214 G HA2 0.420 4.380 3.960 0.000 0.000 0.269 214 G HA3 0.420 4.380 3.960 0.000 0.000 0.269 214 G C -0.127 174.691 174.900 -0.137 0.000 1.416 214 G CA -0.274 44.949 45.100 0.206 0.000 1.052 214 G HN 0.735 nan 8.290 nan 0.000 0.542 215 S N -0.682 114.941 115.700 -0.128 0.000 2.572 215 S HA 0.183 4.653 4.470 0.000 0.000 0.279 215 S C 1.858 176.309 174.600 -0.249 0.000 1.341 215 S CA 0.154 58.153 58.200 -0.335 0.000 1.043 215 S CB 1.433 64.680 63.200 0.079 0.000 0.887 215 S HN 0.816 nan 8.310 nan 0.000 0.516 216 S N 1.496 117.056 115.700 -0.232 0.000 2.507 216 S HA -0.020 4.450 4.470 0.000 0.000 0.235 216 S C 0.522 175.257 174.600 0.226 0.000 0.988 216 S CA 0.258 58.496 58.200 0.063 0.000 0.944 216 S CB -0.353 62.992 63.200 0.242 0.000 0.762 216 S HN 0.768 nan 8.310 nan 0.000 0.526 217 N N 0.022 118.782 118.700 0.099 0.000 2.928 217 N HA 0.114 4.854 4.740 0.000 0.000 0.247 217 N C -0.023 175.360 175.510 -0.212 0.000 1.141 217 N CA -0.525 52.541 53.050 0.026 0.000 0.977 217 N CB 1.232 39.793 38.487 0.124 0.000 1.663 217 N HN 0.076 nan 8.380 nan 0.000 0.509 218 R N 1.901 122.050 120.500 -0.585 0.000 2.193 218 R HA 0.062 4.403 4.340 0.000 0.000 0.229 218 R C 0.509 176.404 176.300 -0.676 0.000 1.110 218 R CA 1.367 56.767 56.100 -1.167 0.000 0.988 218 R CB 0.030 29.459 30.300 -1.452 0.000 0.871 218 R HN 0.494 nan 8.270 nan 0.000 0.458 219 N N -0.183 118.326 118.700 -0.319 0.000 2.398 219 N HA -0.016 4.724 4.740 0.000 0.000 0.188 219 N C -0.059 175.436 175.510 -0.025 0.000 1.122 219 N CA 0.204 53.169 53.050 -0.141 0.000 0.866 219 N CB 0.204 38.629 38.487 -0.103 0.000 0.970 219 N HN 0.129 nan 8.380 nan 0.000 0.462 220 M N 1.525 121.132 119.600 0.011 0.000 2.250 220 M HA 0.029 4.510 4.480 0.000 0.000 0.337 220 M C -1.110 175.257 176.300 0.111 0.000 1.161 220 M CA -1.429 53.919 55.300 0.080 0.000 1.088 220 M CB -0.281 32.358 32.600 0.064 0.000 1.639 220 M HN -0.144 nan 8.290 nan 0.000 0.447 221 P HA -0.084 nan 4.420 nan 0.000 0.221 221 P C 0.841 178.214 177.300 0.122 0.000 1.145 221 P CA 1.299 64.456 63.100 0.094 0.000 0.795 221 P CB -0.271 31.471 31.700 0.069 0.000 0.775 222 T N -5.195 109.443 114.554 0.140 0.000 3.145 222 T HA 0.144 4.494 4.350 0.000 0.000 0.255 222 T C 0.275 175.105 174.700 0.217 0.000 1.039 222 T CA -0.639 61.567 62.100 0.176 0.000 0.928 222 T CB -1.013 67.992 68.868 0.229 0.000 1.029 222 T HN -0.133 nan 8.240 nan 0.000 0.554 223 F N 2.764 122.761 119.950 0.077 0.000 2.607 223 F HA 0.397 4.924 4.527 0.000 0.000 0.374 223 F C 1.355 177.231 175.800 0.126 0.000 1.104 223 F CA 0.205 58.258 58.000 0.087 0.000 1.296 223 F CB -0.043 38.976 39.000 0.031 0.000 1.085 223 F HN 0.422 nan 8.300 nan 0.000 0.584 224 A N 3.403 125.712 122.820 -0.852 0.000 1.710 224 A HA -0.375 3.945 4.320 0.000 0.000 0.225 224 A C 2.034 179.508 177.584 -0.183 0.000 0.527 224 A CA 1.198 52.807 52.037 -0.714 0.000 1.123 224 A CB -2.317 16.228 19.000 -0.759 0.000 1.445 224 A HN 0.804 nan 8.150 nan 0.000 0.714 225 E N -0.776 119.380 120.200 -0.074 0.000 2.097 225 E HA -0.250 4.101 4.350 0.000 0.000 0.196 225 E C 1.789 178.430 176.600 0.068 0.000 1.000 225 E CA 1.703 58.114 56.400 0.018 0.000 0.804 225 E CB -0.258 29.472 29.700 0.051 0.000 0.740 225 E HN 0.888 nan 8.360 nan 0.000 0.454 226 W N 1.589 122.859 121.300 -0.049 0.000 2.332 226 W HA -0.234 4.426 4.660 0.000 0.000 0.321 226 W C 1.594 178.105 176.519 -0.014 0.000 1.219 226 W CA 2.003 59.338 57.345 -0.017 0.000 1.277 226 W CB -0.351 29.117 29.460 0.013 0.000 1.161 226 W HN 0.080 nan 8.180 nan 0.000 0.476 227 E N 0.726 121.068 120.200 0.237 0.000 2.085 227 E HA -0.176 4.174 4.350 0.000 0.000 0.194 227 E C 2.412 179.016 176.600 0.006 0.000 0.994 227 E CA 2.317 58.794 56.400 0.129 0.000 0.801 227 E CB -0.941 28.845 29.700 0.143 0.000 0.743 227 E HN 0.273 nan 8.360 nan 0.000 0.453 228 A N 0.137 122.966 122.820 0.013 0.000 1.902 228 A HA -0.186 4.135 4.320 0.000 0.000 0.217 228 A C 2.374 179.914 177.584 -0.073 0.000 1.181 228 A CA 2.002 54.057 52.037 0.029 0.000 0.623 228 A CB -0.929 18.174 19.000 0.172 0.000 0.818 228 A HN 0.261 nan 8.150 nan 0.000 0.443 229 T N -0.378 114.089 114.554 -0.145 0.000 2.777 229 T HA -0.095 4.255 4.350 0.000 0.000 0.266 229 T C 1.891 176.359 174.700 -0.387 0.000 1.040 229 T CA 1.519 63.451 62.100 -0.280 0.000 1.141 229 T CB -0.381 68.287 68.868 -0.334 0.000 0.868 229 T HN 0.147 nan 8.240 nan 0.000 0.444 230 V N 1.489 121.162 119.914 -0.401 0.000 2.343 230 V HA -0.107 4.013 4.120 0.000 0.000 0.247 230 V C 2.449 178.454 176.094 -0.148 0.000 1.051 230 V CA 1.468 63.558 62.300 -0.350 0.000 1.036 230 V CB -0.605 31.002 31.823 -0.360 0.000 0.654 230 V HN 0.433 nan 8.190 nan 0.000 0.451 231 L N -0.273 120.901 121.223 -0.081 0.000 2.156 231 L HA -0.139 4.201 4.340 0.000 0.000 0.208 231 L C 2.339 179.238 176.870 0.048 0.000 1.095 231 L CA 1.565 56.418 54.840 0.022 0.000 0.770 231 L CB -0.563 41.542 42.059 0.076 0.000 0.914 231 L HN 0.365 nan 8.230 nan 0.000 0.439 232 D N -0.480 119.902 120.400 -0.029 0.000 2.182 232 D HA -0.217 4.423 4.640 0.000 0.000 0.201 232 D C 2.059 178.439 176.300 0.133 0.000 0.986 232 D CA 1.428 55.427 54.000 -0.002 0.000 0.847 232 D CB 0.079 40.860 40.800 -0.033 0.000 0.942 232 D HN 0.402 nan 8.370 nan 0.000 0.467 233 H N -2.115 116.900 119.070 -0.091 0.000 2.512 233 H HA 0.069 4.625 4.556 0.000 0.000 0.279 233 H C 1.182 176.473 175.328 -0.061 0.000 0.999 233 H CA 1.370 57.359 56.048 -0.097 0.000 1.283 233 H CB 0.588 30.254 29.762 -0.160 0.000 1.421 233 H HN 0.243 nan 8.280 nan 0.000 0.554 234 T N -3.647 110.953 114.554 0.077 0.000 3.058 234 T HA -0.050 4.300 4.350 0.000 0.000 0.278 234 T C 1.411 176.148 174.700 0.062 0.000 0.974 234 T CA -0.449 61.681 62.100 0.050 0.000 0.893 234 T CB -0.517 68.326 68.868 -0.041 0.000 1.138 234 T HN 0.171 nan 8.240 nan 0.000 0.529 235 Y N 3.345 123.616 120.300 -0.048 0.000 2.069 235 Y HA -0.246 4.304 4.550 0.000 0.000 0.278 235 Y C 1.748 177.568 175.900 -0.133 0.000 1.175 235 Y CA 2.332 60.376 58.100 -0.094 0.000 1.134 235 Y CB -0.319 38.071 38.460 -0.116 0.000 0.965 235 Y HN 0.170 nan 8.280 nan 0.000 0.498 236 D N -1.713 118.686 120.400 -0.002 0.000 2.310 236 D HA -0.136 4.504 4.640 0.000 0.000 0.212 236 D C 1.289 177.328 176.300 -0.434 0.000 0.965 236 D CA 1.597 55.454 54.000 -0.238 0.000 0.879 236 D CB -0.300 40.261 40.800 -0.400 0.000 0.921 236 D HN 0.608 nan 8.370 nan 0.000 0.510 237 H N -1.322 117.677 119.070 -0.119 0.000 2.705 237 H HA 0.190 4.746 4.556 0.000 0.000 0.269 237 H C 0.619 175.851 175.328 -0.160 0.000 0.998 237 H CA -0.249 55.707 56.048 -0.153 0.000 1.193 237 H CB 0.823 30.476 29.762 -0.182 0.000 1.485 237 H HN -0.041 nan 8.280 nan 0.000 0.521 238 V N -2.638 117.217 119.914 -0.099 0.000 3.113 238 V HA 0.384 4.504 4.120 0.000 0.000 0.316 238 V C -0.154 175.798 176.094 -0.237 0.000 1.125 238 V CA -0.753 61.476 62.300 -0.120 0.000 1.026 238 V CB 2.891 34.664 31.823 -0.083 0.000 1.080 238 V HN 0.017 nan 8.190 nan 0.000 0.444 239 D N -1.004 119.261 120.400 -0.226 0.000 2.473 239 D HA 0.236 4.876 4.640 0.000 0.000 0.242 239 D C -0.910 174.955 176.300 -0.726 0.000 1.106 239 D CA 0.866 54.571 54.000 -0.493 0.000 0.854 239 D CB 1.188 41.699 40.800 -0.482 0.000 1.192 239 D HN 0.632 nan 8.370 nan 0.000 0.503 240 Y N 0.226 120.496 120.300 -0.051 0.000 2.544 240 Y HA 0.452 5.002 4.550 0.000 0.000 0.342 240 Y C -0.827 175.067 175.900 -0.009 0.000 1.062 240 Y CA -1.000 57.096 58.100 -0.007 0.000 1.023 240 Y CB 2.245 40.728 38.460 0.040 0.000 1.308 240 Y HN -0.260 nan 8.280 nan 0.000 0.457 241 I N 2.168 122.834 120.570 0.159 0.000 2.530 241 I HA 0.661 4.831 4.170 0.000 0.000 0.297 241 I C -0.320 175.845 176.117 0.080 0.000 1.011 241 I CA -0.373 60.993 61.300 0.111 0.000 1.107 241 I CB 1.350 39.396 38.000 0.077 0.000 1.285 241 I HN 0.737 nan 8.210 nan 0.000 0.436 242 S N 7.049 122.777 115.700 0.047 0.000 2.672 242 S HA 0.821 5.291 4.470 0.000 0.000 0.276 242 S C -0.786 173.717 174.600 -0.162 0.000 1.207 242 S CA -0.651 57.526 58.200 -0.037 0.000 1.002 242 S CB 1.531 64.727 63.200 -0.007 0.000 0.998 242 S HN 0.473 nan 8.310 nan 0.000 0.542 243 L N -0.137 120.903 121.223 -0.305 0.000 2.424 243 L HA 0.636 4.976 4.340 0.000 0.000 0.258 243 L C -0.697 176.001 176.870 -0.285 0.000 0.995 243 L CA -0.841 53.706 54.840 -0.488 0.000 0.821 243 L CB 0.626 41.990 42.059 -1.158 0.000 1.383 243 L HN 0.915 nan 8.230 nan 0.000 0.410 244 H N 0.332 119.306 119.070 -0.159 0.000 2.771 244 H HA 0.737 5.293 4.556 0.000 0.000 0.361 244 H C -1.359 174.071 175.328 0.171 0.000 1.108 244 H CA -0.698 55.372 56.048 0.036 0.000 1.201 244 H CB 2.906 32.727 29.762 0.098 0.000 1.681 244 H HN 0.614 nan 8.280 nan 0.000 0.534 245 Q N 2.589 122.519 119.800 0.216 0.000 2.295 245 Q HA 0.309 4.649 4.340 0.000 0.000 0.268 245 Q C -2.190 173.570 176.000 -0.399 0.000 1.010 245 Q CA -0.605 55.199 55.803 0.000 0.000 0.856 245 Q CB 1.426 30.290 28.738 0.209 0.000 1.349 245 Q HN 0.509 nan 8.270 nan 0.000 0.412 246 Y N 2.117 122.364 120.300 -0.089 0.000 2.485 246 Y HA 0.689 5.239 4.550 0.000 0.000 0.345 246 Y C -0.941 174.838 175.900 -0.201 0.000 0.998 246 Y CA -0.677 57.400 58.100 -0.039 0.000 1.059 246 Y CB 1.603 40.166 38.460 0.172 0.000 1.234 246 Y HN 0.541 nan 8.280 nan 0.000 0.461 247 Y N 0.014 120.534 120.300 0.365 0.000 2.570 247 Y HA 0.830 5.380 4.550 0.000 0.000 0.345 247 Y C 0.347 176.446 175.900 0.332 0.000 1.014 247 Y CA -1.732 56.526 58.100 0.262 0.000 1.063 247 Y CB 2.462 41.023 38.460 0.168 0.000 1.272 247 Y HN 0.679 nan 8.280 nan 0.000 0.477 248 G N 0.692 109.742 108.800 0.417 0.000 2.720 248 G HA2 0.309 4.269 3.960 0.000 0.000 0.295 248 G HA3 0.309 4.269 3.960 0.000 0.000 0.295 248 G C -1.695 172.971 174.900 -0.390 0.000 1.437 248 G CA -0.881 44.158 45.100 -0.102 0.000 0.886 248 G HN 0.429 nan 8.290 nan 0.000 0.509 249 N N 0.019 117.944 118.700 -1.292 0.000 3.040 249 N HA 0.172 4.912 4.740 0.000 0.000 0.305 249 N C 1.416 176.539 175.510 -0.645 0.000 1.611 249 N CA -0.532 51.978 53.050 -0.899 0.000 1.049 249 N CB 0.466 38.249 38.487 -1.174 0.000 1.342 249 N HN 0.530 nan 8.380 nan 0.000 0.497 250 R N -0.474 119.752 120.500 -0.457 0.000 2.148 250 R HA -0.028 4.313 4.340 0.000 0.000 0.223 250 R C 0.317 176.564 176.300 -0.089 0.000 1.088 250 R CA 1.273 57.263 56.100 -0.183 0.000 0.985 250 R CB 0.116 30.356 30.300 -0.101 0.000 0.880 250 R HN 0.358 nan 8.270 nan 0.000 0.451 251 D N -0.531 119.813 120.400 -0.093 0.000 2.358 251 D HA -0.059 4.581 4.640 0.000 0.000 0.224 251 D C -0.273 176.001 176.300 -0.042 0.000 1.123 251 D CA -0.276 53.695 54.000 -0.047 0.000 0.833 251 D CB -0.598 40.186 40.800 -0.027 0.000 0.946 251 D HN -0.002 nan 8.370 nan 0.000 0.505 252 N N 0.766 119.424 118.700 -0.071 0.000 2.705 252 N HA -0.190 4.550 4.740 0.000 0.000 0.255 252 N C -1.204 174.292 175.510 -0.023 0.000 1.008 252 N CA 0.730 53.749 53.050 -0.053 0.000 0.742 252 N CB -0.739 37.733 38.487 -0.024 0.000 0.906 252 N HN 0.372 nan 8.380 nan 0.000 0.541 253 D N -0.146 120.243 120.400 -0.018 0.000 2.404 253 D HA 0.262 4.902 4.640 0.000 0.000 0.267 253 D C 1.094 177.445 176.300 0.084 0.000 1.194 253 D CA -0.327 53.696 54.000 0.037 0.000 0.910 253 D CB 0.696 41.529 40.800 0.055 0.000 1.090 253 D HN 0.065 nan 8.370 nan 0.000 0.511 254 T N 1.185 115.788 114.554 0.082 0.000 2.665 254 T HA -0.193 4.157 4.350 0.000 0.000 0.268 254 T C 1.842 176.648 174.700 0.177 0.000 1.035 254 T CA 1.878 64.068 62.100 0.151 0.000 1.151 254 T CB 0.049 68.984 68.868 0.112 0.000 0.862 254 T HN 0.521 nan 8.240 nan 0.000 0.438 255 A N 1.442 124.335 122.820 0.122 0.000 1.933 255 A HA -0.144 4.176 4.320 0.000 0.000 0.218 255 A C 2.186 179.938 177.584 0.279 0.000 1.175 255 A CA 2.029 54.140 52.037 0.124 0.000 0.628 255 A CB -0.723 18.284 19.000 0.011 0.000 0.814 255 A HN 0.500 nan 8.150 nan 0.000 0.444 256 N N -1.871 116.974 118.700 0.242 0.000 2.250 256 N HA -0.134 4.606 4.740 0.000 0.000 0.181 256 N C 1.558 177.187 175.510 0.198 0.000 1.017 256 N CA 1.419 54.623 53.050 0.256 0.000 0.866 256 N CB -0.404 38.216 38.487 0.221 0.000 0.985 256 N HN 0.485 nan 8.380 nan 0.000 0.429 257 Y N 1.074 121.400 120.300 0.042 0.000 2.181 257 Y HA -0.011 4.539 4.550 0.000 0.000 0.288 257 Y C 1.700 177.552 175.900 -0.080 0.000 1.146 257 Y CA 1.444 59.532 58.100 -0.021 0.000 1.164 257 Y CB -0.363 38.098 38.460 0.002 0.000 0.982 257 Y HN 0.080 nan 8.280 nan 0.000 0.515 258 L N -0.366 120.828 121.223 -0.048 0.000 2.362 258 L HA -0.097 4.243 4.340 0.000 0.000 0.219 258 L C 2.353 179.086 176.870 -0.228 0.000 1.134 258 L CA 0.857 55.606 54.840 -0.152 0.000 0.807 258 L CB -0.734 41.338 42.059 0.021 0.000 0.927 258 L HN 0.318 nan 8.230 nan 0.000 0.447 259 A N -0.402 122.251 122.820 -0.279 0.000 2.218 259 A HA 0.103 4.423 4.320 0.000 0.000 0.209 259 A C 2.094 179.118 177.584 -0.934 0.000 1.168 259 A CA 0.107 51.797 52.037 -0.577 0.000 0.804 259 A CB -0.251 18.364 19.000 -0.642 0.000 0.834 259 A HN 0.330 nan 8.150 nan 0.000 0.482 260 L N 0.549 121.339 121.223 -0.722 0.000 2.261 260 L HA -0.194 4.147 4.340 0.000 0.000 0.216 260 L C 2.854 179.326 176.870 -0.664 0.000 1.114 260 L CA 1.424 55.795 54.840 -0.780 0.000 0.777 260 L CB -0.333 41.062 42.059 -1.107 0.000 0.910 260 L HN 0.623 nan 8.230 nan 0.000 0.440 261 S N -0.420 114.981 115.700 -0.499 0.000 2.423 261 S HA -0.137 4.334 4.470 0.000 0.000 0.231 261 S C 1.852 176.341 174.600 -0.185 0.000 1.014 261 S CA 0.566 58.611 58.200 -0.258 0.000 0.965 261 S CB -0.335 62.740 63.200 -0.208 0.000 0.785 261 S HN 0.239 nan 8.310 nan 0.000 0.495 262 L N 1.946 122.987 121.223 -0.303 0.000 2.079 262 L HA 0.021 4.361 4.340 0.000 0.000 0.210 262 L C 2.793 179.657 176.870 -0.010 0.000 1.081 262 L CA 1.972 56.694 54.840 -0.196 0.000 0.752 262 L CB -0.881 40.978 42.059 -0.333 0.000 0.896 262 L HN 0.466 nan 8.230 nan 0.000 0.433 263 E N -0.648 119.570 120.200 0.030 0.000 2.072 263 E HA -0.250 4.100 4.350 0.000 0.000 0.190 263 E C 2.301 179.059 176.600 0.263 0.000 0.982 263 E CA 0.967 57.510 56.400 0.238 0.000 0.803 263 E CB -0.105 29.802 29.700 0.344 0.000 0.755 263 E HN 0.432 nan 8.360 nan 0.000 0.453 264 M N 0.812 120.583 119.600 0.286 0.000 2.149 264 M HA -0.220 4.260 4.480 0.000 0.000 0.261 264 M C 1.658 178.066 176.300 0.180 0.000 1.064 264 M CA 2.167 57.677 55.300 0.350 0.000 1.102 264 M CB -0.128 32.626 32.600 0.257 0.000 1.369 264 M HN 0.058 nan 8.290 nan 0.000 0.408 265 D N -0.055 120.381 120.400 0.061 0.000 2.104 265 D HA -0.253 4.387 4.640 0.000 0.000 0.194 265 D C 1.586 177.909 176.300 0.038 0.000 0.994 265 D CA 1.991 55.976 54.000 -0.025 0.000 0.830 265 D CB -0.058 40.765 40.800 0.038 0.000 0.959 265 D HN 0.517 nan 8.370 nan 0.000 0.452 266 D N -1.551 118.932 120.400 0.139 0.000 2.144 266 D HA -0.171 4.469 4.640 0.000 0.000 0.200 266 D C 1.730 178.185 176.300 0.259 0.000 0.978 266 D CA 0.597 54.705 54.000 0.180 0.000 0.833 266 D CB -0.217 40.691 40.800 0.180 0.000 0.961 266 D HN 0.198 nan 8.370 nan 0.000 0.470 267 F N 1.164 121.168 119.950 0.090 0.000 2.102 267 F HA -0.080 4.447 4.527 0.000 0.000 0.298 267 F C 1.926 177.782 175.800 0.094 0.000 1.105 267 F CA 1.102 59.162 58.000 0.100 0.000 1.239 267 F CB -0.839 38.200 39.000 0.065 0.000 0.991 267 F HN 0.021 nan 8.300 nan 0.000 0.474 268 I N 0.286 120.851 120.570 -0.007 0.000 2.151 268 I HA -0.371 3.800 4.170 0.000 0.000 0.243 268 I C 2.650 178.753 176.117 -0.024 0.000 1.080 268 I CA 1.651 62.853 61.300 -0.164 0.000 1.339 268 I CB -0.486 37.309 38.000 -0.342 0.000 1.039 268 I HN 0.075 nan 8.210 nan 0.000 0.409 269 R N 0.110 120.636 120.500 0.044 0.000 2.105 269 R HA -0.131 4.209 4.340 0.000 0.000 0.239 269 R C 2.497 178.888 176.300 0.151 0.000 1.135 269 R CA 1.670 57.855 56.100 0.143 0.000 0.967 269 R CB -0.378 30.025 30.300 0.173 0.000 0.861 269 R HN 0.304 nan 8.270 nan 0.000 0.442 270 S N 0.222 116.038 115.700 0.194 0.000 2.355 270 S HA -0.091 4.379 4.470 0.000 0.000 0.222 270 S C 2.083 176.790 174.600 0.178 0.000 1.031 270 S CA 1.233 59.567 58.200 0.224 0.000 0.993 270 S CB -0.078 63.356 63.200 0.390 0.000 0.859 270 S HN 0.079 nan 8.310 nan 0.000 0.453 271 V N 1.470 121.484 119.914 0.167 0.000 2.427 271 V HA -0.093 4.027 4.120 0.000 0.000 0.248 271 V C 2.279 178.425 176.094 0.087 0.000 1.051 271 V CA 1.135 63.495 62.300 0.100 0.000 1.048 271 V CB -0.701 31.120 31.823 -0.003 0.000 0.666 271 V HN 0.315 nan 8.190 nan 0.000 0.456 272 V N 0.539 120.508 119.914 0.092 0.000 2.392 272 V HA -0.277 3.843 4.120 0.000 0.000 0.249 272 V C 2.685 178.851 176.094 0.119 0.000 1.059 272 V CA 2.112 64.481 62.300 0.115 0.000 1.051 272 V CB -1.053 30.854 31.823 0.141 0.000 0.658 272 V HN 0.570 nan 8.190 nan 0.000 0.455 273 A N -0.366 122.526 122.820 0.120 0.000 1.929 273 A HA -0.095 4.225 4.320 0.000 0.000 0.216 273 A C 2.161 179.830 177.584 0.142 0.000 1.176 273 A CA 1.512 53.620 52.037 0.118 0.000 0.628 273 A CB -0.433 18.628 19.000 0.102 0.000 0.816 273 A HN 0.512 nan 8.150 nan 0.000 0.444 274 I N -0.254 120.398 120.570 0.138 0.000 2.202 274 I HA -0.254 3.916 4.170 0.000 0.000 0.242 274 I C 2.996 179.213 176.117 0.166 0.000 1.091 274 I CA 0.983 62.391 61.300 0.181 0.000 1.368 274 I CB -0.429 37.641 38.000 0.117 0.000 1.058 274 I HN 0.348 nan 8.210 nan 0.000 0.410 275 A N 0.733 123.632 122.820 0.132 0.000 1.917 275 A HA -0.266 4.055 4.320 0.000 0.000 0.219 275 A C 1.911 179.582 177.584 0.145 0.000 1.182 275 A CA 2.286 54.413 52.037 0.149 0.000 0.633 275 A CB -0.631 18.438 19.000 0.116 0.000 0.819 275 A HN 0.375 nan 8.150 nan 0.000 0.448 276 D N -1.999 118.473 120.400 0.121 0.000 2.224 276 D HA -0.094 4.546 4.640 0.000 0.000 0.205 276 D C 1.600 177.951 176.300 0.086 0.000 0.965 276 D CA 1.263 55.317 54.000 0.089 0.000 0.852 276 D CB -0.372 40.483 40.800 0.092 0.000 0.947 276 D HN 0.651 nan 8.370 nan 0.000 0.494 277 Y N 1.747 122.044 120.300 -0.005 0.000 2.163 277 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 277 Y C 1.992 177.846 175.900 -0.075 0.000 1.136 277 Y CA 0.985 59.066 58.100 -0.031 0.000 1.147 277 Y CB -0.624 37.825 38.460 -0.019 0.000 0.987 277 Y HN -0.191 nan 8.280 nan 0.000 0.509 278 V N 1.574 121.191 119.914 -0.496 0.000 2.548 278 V HA -0.232 3.888 4.120 0.000 0.000 0.249 278 V C 2.499 178.195 176.094 -0.664 0.000 1.055 278 V CA 2.035 63.931 62.300 -0.673 0.000 1.065 278 V CB -0.780 30.801 31.823 -0.403 0.000 0.681 278 V HN 0.382 nan 8.190 nan 0.000 0.462 279 K N 0.784 120.832 120.400 -0.587 0.000 2.020 279 K HA -0.242 4.078 4.320 0.000 0.000 0.212 279 K C 2.178 178.552 176.600 -0.377 0.000 1.050 279 K CA 1.923 57.827 56.287 -0.639 0.000 0.929 279 K CB -0.373 32.000 32.500 -0.212 0.000 0.714 279 K HN 0.419 nan 8.250 nan 0.000 0.443 280 A N 1.407 124.098 122.820 -0.214 0.000 1.898 280 A HA -0.183 4.137 4.320 0.000 0.000 0.216 280 A C 2.064 179.564 177.584 -0.139 0.000 1.181 280 A CA 1.749 53.715 52.037 -0.119 0.000 0.620 280 A CB -0.511 18.475 19.000 -0.024 0.000 0.819 280 A HN 0.429 nan 8.150 nan 0.000 0.442 281 K N -0.012 120.267 120.400 -0.202 0.000 2.097 281 K HA -0.134 4.186 4.320 0.000 0.000 0.206 281 K C 1.487 177.966 176.600 -0.202 0.000 1.049 281 K CA 1.573 57.746 56.287 -0.190 0.000 0.933 281 K CB -0.121 32.187 32.500 -0.319 0.000 0.717 281 K HN 0.402 nan 8.250 nan 0.000 0.442 282 K N 0.305 120.529 120.400 -0.293 0.000 2.444 282 K HA 0.065 4.386 4.320 0.000 0.000 0.193 282 K C -0.142 176.342 176.600 -0.194 0.000 1.024 282 K CA 0.077 56.211 56.287 -0.255 0.000 1.077 282 K CB 0.269 32.547 32.500 -0.370 0.000 0.833 282 K HN 0.158 nan 8.250 nan 0.000 0.517 283 R N 1.010 121.405 120.500 -0.175 0.000 3.516 283 R HA -0.141 4.199 4.340 0.000 0.000 0.271 283 R C -0.107 176.123 176.300 -0.117 0.000 1.098 283 R CA 0.445 56.473 56.100 -0.120 0.000 0.732 283 R CB -2.306 27.946 30.300 -0.080 0.000 1.152 283 R HN 0.054 nan 8.270 nan 0.000 0.455 284 S N -0.081 115.519 115.700 -0.167 0.000 2.586 284 S HA 0.247 4.717 4.470 0.000 0.000 0.274 284 S C 1.229 175.801 174.600 -0.047 0.000 1.281 284 S CA -0.761 57.378 58.200 -0.101 0.000 1.035 284 S CB 1.001 64.132 63.200 -0.116 0.000 0.962 284 S HN 0.263 nan 8.310 nan 0.000 0.512 285 K N 1.983 122.374 120.400 -0.015 0.000 2.361 285 K HA 0.081 4.401 4.320 0.000 0.000 0.196 285 K C 0.473 177.078 176.600 0.009 0.000 1.039 285 K CA 0.158 56.441 56.287 -0.007 0.000 1.001 285 K CB 0.020 32.514 32.500 -0.010 0.000 0.795 285 K HN 0.480 nan 8.250 nan 0.000 0.495 286 K N 2.089 122.512 120.400 0.039 0.000 2.322 286 K HA 0.068 4.388 4.320 0.000 0.000 0.283 286 K C -0.772 175.855 176.600 0.045 0.000 1.042 286 K CA 0.124 56.422 56.287 0.019 0.000 0.958 286 K CB 0.879 33.379 32.500 -0.001 0.000 0.984 286 K HN -0.228 nan 8.250 nan 0.000 0.473 287 T N 5.056 119.554 114.554 -0.093 0.000 2.837 287 T HA 0.338 4.688 4.350 0.000 0.000 0.285 287 T C -0.047 174.414 174.700 -0.398 0.000 0.984 287 T CA -0.608 61.390 62.100 -0.171 0.000 1.049 287 T CB 0.543 69.271 68.868 -0.232 0.000 0.947 287 T HN 0.393 nan 8.240 nan 0.000 0.472 288 I N 3.266 123.638 120.570 -0.330 0.000 2.385 288 I HA 0.352 4.522 4.170 0.000 0.000 0.294 288 I C 0.423 176.354 176.117 -0.311 0.000 0.988 288 I CA -0.401 60.649 61.300 -0.416 0.000 1.265 288 I CB 1.282 39.044 38.000 -0.396 0.000 1.388 288 I HN 0.725 nan 8.210 nan 0.000 0.480 289 H N 4.456 123.473 119.070 -0.089 0.000 2.713 289 H HA 0.583 5.139 4.556 0.000 0.000 0.340 289 H C -0.935 174.503 175.328 0.183 0.000 1.271 289 H CA -0.904 55.189 56.048 0.074 0.000 1.306 289 H CB 1.864 31.709 29.762 0.138 0.000 1.839 289 H HN 0.242 nan 8.280 nan 0.000 0.627 290 L N 0.391 121.821 121.223 0.344 0.000 2.317 290 L HA 0.314 4.654 4.340 0.000 0.000 0.281 290 L C -0.083 176.886 176.870 0.165 0.000 1.024 290 L CA -0.043 54.913 54.840 0.193 0.000 0.810 290 L CB 1.827 43.935 42.059 0.083 0.000 1.240 290 L HN 0.408 nan 8.230 nan 0.000 0.427 291 S N 3.054 118.806 115.700 0.087 0.000 2.520 291 S HA 0.406 4.876 4.470 0.000 0.000 0.324 291 S C -0.412 174.226 174.600 0.064 0.000 1.069 291 S CA -0.444 57.764 58.200 0.013 0.000 1.121 291 S CB -0.149 63.013 63.200 -0.064 0.000 0.971 291 S HN 0.426 nan 8.310 nan 0.000 0.463 292 F N 5.058 125.002 119.950 -0.011 0.000 2.626 292 F HA 0.191 4.718 4.527 0.000 0.000 0.353 292 F C 1.021 176.896 175.800 0.124 0.000 1.230 292 F CA -0.542 57.473 58.000 0.025 0.000 1.298 292 F CB 0.259 39.223 39.000 -0.061 0.000 1.670 292 F HN 0.689 nan 8.300 nan 0.000 0.633 293 D N 0.495 121.066 120.400 0.285 0.000 2.325 293 D HA -0.003 4.637 4.640 0.000 0.000 0.225 293 D C -0.321 175.971 176.300 -0.013 0.000 1.096 293 D CA 0.193 54.273 54.000 0.133 0.000 0.844 293 D CB -0.038 40.768 40.800 0.009 0.000 0.925 293 D HN 0.416 nan 8.370 nan 0.000 0.513 294 E N 0.627 120.864 120.200 0.061 0.000 2.281 294 E HA 0.356 4.706 4.350 0.000 0.000 0.266 294 E C -1.092 175.569 176.600 0.101 0.000 0.893 294 E CA -0.888 55.452 56.400 -0.101 0.000 0.798 294 E CB 1.768 31.174 29.700 -0.491 0.000 1.245 294 E HN 0.316 nan 8.360 nan 0.000 0.410 295 W N 3.082 124.306 121.300 -0.127 0.000 3.217 295 W HA 0.721 5.381 4.660 0.000 0.000 0.323 295 W C -1.424 175.007 176.519 -0.146 0.000 1.216 295 W CA -0.604 56.605 57.345 -0.227 0.000 1.194 295 W CB 1.481 30.770 29.460 -0.285 0.000 1.397 295 W HN 0.492 nan 8.180 nan 0.000 0.537 296 N N 0.274 119.015 118.700 0.069 0.000 4.173 296 N HA 0.131 4.871 4.740 0.000 0.000 0.218 296 N C -2.022 173.686 175.510 0.331 0.000 1.312 296 N CA -0.502 52.588 53.050 0.066 0.000 0.834 296 N CB 1.866 40.334 38.487 -0.031 0.000 1.467 296 N HN 0.280 nan 8.380 nan 0.000 0.468 297 V N 1.699 121.770 119.914 0.263 0.000 2.637 297 V HA 0.377 4.497 4.120 0.000 0.000 0.296 297 V C -0.444 176.020 176.094 0.617 0.000 1.046 297 V CA 0.365 62.943 62.300 0.464 0.000 1.066 297 V CB 0.477 32.554 31.823 0.424 0.000 0.968 297 V HN 0.608 nan 8.190 nan 0.000 0.483 298 W N 8.539 130.075 121.300 0.394 0.000 3.216 298 W HA 0.558 5.218 4.660 0.000 0.000 0.335 298 W C -0.830 175.853 176.519 0.273 0.000 1.077 298 W CA -1.505 55.950 57.345 0.184 0.000 1.252 298 W CB 1.073 30.476 29.460 -0.094 0.000 1.312 298 W HN 0.664 nan 8.180 nan 0.000 0.446 299 Y N 2.005 122.462 120.300 0.262 0.000 2.594 299 Y HA 0.107 4.658 4.550 0.000 0.000 0.313 299 Y C 1.405 177.427 175.900 0.203 0.000 0.920 299 Y CA 0.726 58.888 58.100 0.104 0.000 0.905 299 Y CB -0.519 38.006 38.460 0.108 0.000 1.413 299 Y HN 0.195 nan 8.280 nan 0.000 0.571 300 H N 2.035 120.714 119.070 -0.653 0.000 2.390 300 H HA -0.035 4.521 4.556 0.000 0.000 0.298 300 H C 2.013 177.206 175.328 -0.225 0.000 1.106 300 H CA 1.816 57.513 56.048 -0.584 0.000 1.297 300 H CB -0.575 28.854 29.762 -0.556 0.000 1.375 300 H HN 0.569 nan 8.280 nan 0.000 0.509 301 S N 0.068 115.768 115.700 -0.000 0.000 2.575 301 S HA 0.012 4.483 4.470 0.000 0.000 0.215 301 S C 1.544 176.176 174.600 0.053 0.000 0.966 301 S CA -0.114 58.087 58.200 0.002 0.000 0.911 301 S CB 0.109 63.277 63.200 -0.052 0.000 0.780 301 S HN 0.237 nan 8.310 nan 0.000 0.514 302 N N 2.771 121.521 118.700 0.084 0.000 2.061 302 N HA -0.101 4.639 4.740 0.000 0.000 0.193 302 N C 1.647 177.177 175.510 0.032 0.000 1.030 302 N CA 1.569 54.660 53.050 0.069 0.000 0.856 302 N CB -0.334 38.166 38.487 0.022 0.000 1.023 302 N HN 0.445 nan 8.380 nan 0.000 0.424 303 E N 0.666 120.876 120.200 0.017 0.000 2.072 303 E HA 0.028 4.378 4.350 0.000 0.000 0.190 303 E C 1.901 178.499 176.600 -0.003 0.000 0.982 303 E CA 0.733 57.135 56.400 0.003 0.000 0.803 303 E CB -0.351 29.349 29.700 -0.001 0.000 0.755 303 E HN 0.337 nan 8.360 nan 0.000 0.453 304 A N 1.592 124.408 122.820 -0.007 0.000 1.972 304 A HA -0.175 4.145 4.320 0.000 0.000 0.219 304 A C 1.712 179.287 177.584 -0.014 0.000 1.169 304 A CA 1.615 53.642 52.037 -0.016 0.000 0.635 304 A CB -0.290 18.695 19.000 -0.026 0.000 0.810 304 A HN 0.041 nan 8.150 nan 0.000 0.446 305 D N -0.166 120.232 120.400 -0.004 0.000 2.178 305 D HA -0.076 4.564 4.640 0.000 0.000 0.202 305 D C 1.775 178.076 176.300 0.002 0.000 0.974 305 D CA 1.006 55.007 54.000 0.001 0.000 0.841 305 D CB -0.229 40.590 40.800 0.031 0.000 0.953 305 D HN 0.467 nan 8.370 nan 0.000 0.478 306 K N 0.047 120.448 120.400 0.002 0.000 2.281 306 K HA -0.047 4.273 4.320 0.000 0.000 0.203 306 K C 1.762 178.352 176.600 -0.017 0.000 1.046 306 K CA 0.568 56.851 56.287 -0.008 0.000 0.938 306 K CB 0.040 32.535 32.500 -0.009 0.000 0.737 306 K HN 0.213 nan 8.250 nan 0.000 0.458 307 L N 0.906 122.118 121.223 -0.018 0.000 2.567 307 L HA 0.080 4.420 4.340 0.000 0.000 0.225 307 L C 0.414 177.268 176.870 -0.026 0.000 1.119 307 L CA -0.269 54.559 54.840 -0.021 0.000 0.871 307 L CB 0.044 42.092 42.059 -0.018 0.000 1.036 307 L HN 0.064 nan 8.230 nan 0.000 0.459 308 I N 1.113 121.665 120.570 -0.030 0.000 2.533 308 I HA 0.031 4.201 4.170 0.000 0.000 0.284 308 I C 0.601 176.684 176.117 -0.057 0.000 1.109 308 I CA 0.137 61.415 61.300 -0.037 0.000 1.412 308 I CB 0.528 38.507 38.000 -0.035 0.000 1.396 308 I HN 0.039 nan 8.210 nan 0.000 0.543 309 E N 8.710 128.877 120.200 -0.055 0.000 2.338 309 E HA 0.245 4.596 4.350 0.000 0.000 0.272 309 E C -2.107 174.407 176.600 -0.143 0.000 1.029 309 E CA -1.308 55.047 56.400 -0.076 0.000 0.872 309 E CB 0.456 30.138 29.700 -0.031 0.000 1.015 309 E HN 0.324 nan 8.360 nan 0.000 0.417 310 P HA -0.084 nan 4.420 nan 0.000 0.267 310 P C -0.675 176.398 177.300 -0.379 0.000 1.200 310 P CA 0.246 62.956 63.100 -0.651 0.000 0.772 310 P CB 0.172 31.203 31.700 -1.114 0.000 0.855 311 W N -1.440 119.893 121.300 0.056 0.000 2.960 311 W HA -0.183 4.477 4.660 0.000 0.000 0.328 311 W C 0.465 177.007 176.519 0.040 0.000 1.274 311 W CA 0.024 57.399 57.345 0.050 0.000 0.611 311 W CB -2.654 26.830 29.460 0.039 0.000 2.359 311 W HN 0.506 nan 8.180 nan 0.000 1.197 312 T N -2.476 112.191 114.554 0.188 0.000 2.936 312 T HA 0.739 5.089 4.350 0.000 0.000 0.282 312 T C -0.011 174.760 174.700 0.117 0.000 1.003 312 T CA -0.784 61.389 62.100 0.121 0.000 1.005 312 T CB 2.335 71.238 68.868 0.059 0.000 1.097 312 T HN 0.011 nan 8.240 nan 0.000 0.532 313 V N 1.991 121.946 119.914 0.069 0.000 2.432 313 V HA 0.575 4.695 4.120 0.000 0.000 0.275 313 V C 0.963 177.072 176.094 0.025 0.000 1.043 313 V CA 0.078 62.400 62.300 0.036 0.000 0.925 313 V CB -0.144 31.667 31.823 -0.020 0.000 0.985 313 V HN 1.609 nan 8.190 nan 0.000 0.466 314 A N 5.755 128.604 122.820 0.048 0.000 2.667 314 A HA -0.089 4.231 4.320 0.000 0.000 0.298 314 A C -1.534 176.052 177.584 0.004 0.000 1.483 314 A CA 0.089 52.156 52.037 0.050 0.000 0.738 314 A CB -1.766 17.281 19.000 0.078 0.000 1.067 314 A HN 0.652 nan 8.150 nan 0.000 0.451 315 P HA 0.291 nan 4.420 nan 0.000 0.272 315 P C -2.602 174.657 177.300 -0.069 0.000 1.223 315 P CA -1.386 61.698 63.100 -0.027 0.000 0.784 315 P CB 0.064 31.753 31.700 -0.019 0.000 0.923 316 P HA 0.194 nan 4.420 nan 0.000 0.220 316 P C -0.196 177.023 177.300 -0.134 0.000 1.806 316 P CA 0.086 63.126 63.100 -0.101 0.000 0.976 316 P CB -0.216 31.441 31.700 -0.071 0.000 1.952 317 L N 1.384 122.497 121.223 -0.183 0.000 2.418 317 L HA 0.206 4.546 4.340 0.000 0.000 0.265 317 L C 1.240 177.909 176.870 -0.334 0.000 1.143 317 L CA -0.868 53.834 54.840 -0.230 0.000 0.809 317 L CB 0.180 42.073 42.059 -0.277 0.000 1.124 317 L HN -0.007 nan 8.230 nan 0.000 0.456 318 L N 1.090 122.121 121.223 -0.320 0.000 4.001 318 L HA -0.227 4.113 4.340 0.000 0.000 0.413 318 L C 0.273 176.896 176.870 -0.411 0.000 1.185 318 L CA 0.880 55.450 54.840 -0.450 0.000 0.963 318 L CB -1.619 39.965 42.059 -0.793 0.000 1.976 318 L HN 0.637 nan 8.230 nan 0.000 0.939 319 E N 0.144 120.172 120.200 -0.287 0.000 2.122 319 E HA 0.156 4.506 4.350 0.000 0.000 0.288 319 E C 0.134 176.571 176.600 -0.272 0.000 1.260 319 E CA -0.519 55.721 56.400 -0.268 0.000 1.344 319 E CB -0.002 29.587 29.700 -0.186 0.000 1.337 319 E HN 0.303 nan 8.360 nan 0.000 0.484 320 D N 1.279 121.439 120.400 -0.401 0.000 2.488 320 D HA 0.004 4.644 4.640 0.000 0.000 0.238 320 D C -0.163 175.767 176.300 -0.617 0.000 1.138 320 D CA 0.348 54.005 54.000 -0.572 0.000 0.873 320 D CB 0.701 40.925 40.800 -0.960 0.000 1.183 320 D HN 0.193 nan 8.370 nan 0.000 0.458 321 I N 3.868 124.225 120.570 -0.355 0.000 2.330 321 I HA 0.135 4.305 4.170 0.000 0.000 0.286 321 I C -0.234 175.857 176.117 -0.042 0.000 1.025 321 I CA -0.694 60.532 61.300 -0.124 0.000 1.197 321 I CB -0.575 37.477 38.000 0.086 0.000 1.358 321 I HN 0.244 nan 8.210 nan 0.000 0.467 322 Y N 5.381 125.763 120.300 0.136 0.000 2.357 322 Y HA 0.166 4.716 4.550 0.000 0.000 0.340 322 Y C 1.081 177.150 175.900 0.282 0.000 1.260 322 Y CA -0.069 58.136 58.100 0.176 0.000 1.425 322 Y CB 0.542 39.050 38.460 0.081 0.000 1.326 322 Y HN 0.638 nan 8.280 nan 0.000 0.580 323 N N -0.165 118.842 118.700 0.512 0.000 2.813 323 N HA 0.188 4.928 4.740 0.000 0.000 0.320 323 N C 0.193 175.956 175.510 0.422 0.000 1.315 323 N CA -0.690 52.606 53.050 0.410 0.000 0.871 323 N CB -0.066 38.619 38.487 0.329 0.000 1.241 323 N HN 0.459 nan 8.380 nan 0.000 0.602 324 F N 0.437 120.550 119.950 0.271 0.000 2.146 324 F HA 0.024 4.551 4.527 0.000 0.000 0.298 324 F C 1.979 177.928 175.800 0.248 0.000 1.096 324 F CA 1.728 59.880 58.000 0.253 0.000 1.275 324 F CB -0.403 38.750 39.000 0.256 0.000 1.008 324 F HN 0.780 nan 8.300 nan 0.000 0.480 325 E N -0.736 119.456 120.200 -0.012 0.000 2.204 325 E HA -0.222 4.128 4.350 0.000 0.000 0.195 325 E C 1.463 178.147 176.600 0.138 0.000 0.990 325 E CA 1.509 57.888 56.400 -0.035 0.000 0.821 325 E CB -0.653 29.159 29.700 0.186 0.000 0.750 325 E HN 0.346 nan 8.360 nan 0.000 0.477 326 D N 1.335 121.898 120.400 0.271 0.000 2.144 326 D HA -0.070 4.570 4.640 0.000 0.000 0.200 326 D C 2.022 178.363 176.300 0.069 0.000 0.978 326 D CA 1.586 55.774 54.000 0.314 0.000 0.833 326 D CB -0.237 40.812 40.800 0.414 0.000 0.961 326 D HN 0.362 nan 8.370 nan 0.000 0.470 327 A N 0.593 123.418 122.820 0.009 0.000 1.930 327 A HA -0.079 4.242 4.320 0.000 0.000 0.217 327 A C 2.364 179.843 177.584 -0.175 0.000 1.175 327 A CA 0.707 52.697 52.037 -0.079 0.000 0.627 327 A CB -0.651 18.376 19.000 0.046 0.000 0.815 327 A HN 0.185 nan 8.150 nan 0.000 0.443 328 L N -1.112 119.973 121.223 -0.229 0.000 2.046 328 L HA -0.159 4.181 4.340 0.000 0.000 0.208 328 L C 2.530 179.337 176.870 -0.105 0.000 1.077 328 L CA 1.010 55.756 54.840 -0.157 0.000 0.747 328 L CB -0.486 41.445 42.059 -0.213 0.000 0.896 328 L HN 0.434 nan 8.230 nan 0.000 0.432 329 L N -0.576 120.566 121.223 -0.135 0.000 2.056 329 L HA -0.134 4.206 4.340 0.000 0.000 0.207 329 L C 2.381 179.189 176.870 -0.103 0.000 1.078 329 L CA 1.550 56.277 54.840 -0.189 0.000 0.749 329 L CB -0.426 41.401 42.059 -0.386 0.000 0.901 329 L HN -0.091 nan 8.230 nan 0.000 0.433 330 V N 0.146 120.025 119.914 -0.059 0.000 2.332 330 V HA -0.255 3.865 4.120 0.000 0.000 0.248 330 V C 2.615 178.657 176.094 -0.086 0.000 1.055 330 V CA 1.815 64.134 62.300 0.032 0.000 1.038 330 V CB -1.533 30.293 31.823 0.005 0.000 0.651 330 V HN 0.645 nan 8.190 nan 0.000 0.450 331 G N -1.088 107.555 108.800 -0.262 0.000 2.476 331 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 331 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 331 G C 1.746 176.643 174.900 -0.006 0.000 1.164 331 G CA 1.435 46.306 45.100 -0.382 0.000 0.768 331 G HN 0.551 nan 8.290 nan 0.000 0.560 332 C N 0.482 119.781 119.300 -0.002 0.000 2.425 332 C HA 0.014 4.474 4.460 0.000 0.000 0.277 332 C C 3.027 177.953 174.990 -0.107 0.000 1.280 332 C CA 1.139 60.146 59.018 -0.017 0.000 1.744 332 C CB -0.921 26.777 27.740 -0.069 0.000 1.989 332 C HN 0.470 nan 8.230 nan 0.000 0.491 333 M N 0.072 119.570 119.600 -0.171 0.000 2.213 333 M HA -0.114 4.366 4.480 0.000 0.000 0.263 333 M C 2.047 178.035 176.300 -0.519 0.000 1.062 333 M CA 1.648 56.743 55.300 -0.342 0.000 1.105 333 M CB -0.398 31.985 32.600 -0.362 0.000 1.385 333 M HN 0.375 nan 8.290 nan 0.000 0.417 334 L N -0.177 120.814 121.223 -0.387 0.000 2.044 334 L HA -0.145 4.195 4.340 0.000 0.000 0.205 334 L C 2.308 179.048 176.870 -0.217 0.000 1.075 334 L CA 1.058 55.696 54.840 -0.336 0.000 0.747 334 L CB -0.426 41.535 42.059 -0.163 0.000 0.903 334 L HN 0.229 nan 8.230 nan 0.000 0.435 335 I N -0.544 119.968 120.570 -0.097 0.000 2.264 335 I HA -0.311 3.859 4.170 0.000 0.000 0.248 335 I C 2.434 178.519 176.117 -0.054 0.000 1.111 335 I CA 1.518 62.801 61.300 -0.028 0.000 1.382 335 I CB -0.456 37.592 38.000 0.080 0.000 1.060 335 I HN 0.276 nan 8.210 nan 0.000 0.418 336 T N 1.120 115.613 114.554 -0.102 0.000 2.746 336 T HA -0.114 4.237 4.350 0.000 0.000 0.267 336 T C 1.932 176.579 174.700 -0.088 0.000 1.039 336 T CA 1.180 63.234 62.100 -0.078 0.000 1.142 336 T CB -0.294 68.486 68.868 -0.147 0.000 0.866 336 T HN 0.235 nan 8.240 nan 0.000 0.444 337 L N 0.249 121.320 121.223 -0.254 0.000 2.012 337 L HA -0.121 4.219 4.340 0.000 0.000 0.210 337 L C 2.715 179.514 176.870 -0.119 0.000 1.073 337 L CA 1.464 56.148 54.840 -0.260 0.000 0.748 337 L CB -0.556 41.230 42.059 -0.455 0.000 0.891 337 L HN 0.300 nan 8.230 nan 0.000 0.431 338 M N -0.628 118.906 119.600 -0.109 0.000 2.117 338 M HA -0.225 4.255 4.480 0.000 0.000 0.262 338 M C 2.165 178.455 176.300 -0.017 0.000 1.065 338 M CA 1.696 56.967 55.300 -0.048 0.000 1.114 338 M CB -0.333 32.261 32.600 -0.009 0.000 1.361 338 M HN 0.063 nan 8.290 nan 0.000 0.408 339 K N -0.696 119.703 120.400 -0.003 0.000 2.360 339 K HA -0.121 4.199 4.320 0.000 0.000 0.201 339 K C 0.775 177.260 176.600 -0.190 0.000 1.046 339 K CA 0.755 57.010 56.287 -0.053 0.000 0.940 339 K CB -0.086 32.421 32.500 0.013 0.000 0.748 339 K HN 0.478 nan 8.250 nan 0.000 0.465 340 H N -1.501 117.533 119.070 -0.060 0.000 2.475 340 H HA 0.239 4.795 4.556 0.000 0.000 0.276 340 H C 0.987 176.290 175.328 -0.042 0.000 1.126 340 H CA 0.025 56.052 56.048 -0.035 0.000 1.023 340 H CB 0.889 30.638 29.762 -0.022 0.000 1.669 340 H HN 0.142 nan 8.280 nan 0.000 0.573 341 A N 1.204 124.018 122.820 -0.009 0.000 2.070 341 A HA -0.194 4.126 4.320 0.000 0.000 0.220 341 A C 2.080 179.637 177.584 -0.045 0.000 1.159 341 A CA 1.653 53.669 52.037 -0.034 0.000 0.656 341 A CB -0.118 18.867 19.000 -0.026 0.000 0.800 341 A HN 0.452 nan 8.150 nan 0.000 0.453 342 D N -0.955 119.428 120.400 -0.029 0.000 2.219 342 D HA -0.143 4.497 4.640 0.000 0.000 0.205 342 D C 1.623 177.897 176.300 -0.044 0.000 0.970 342 D CA 0.986 54.972 54.000 -0.023 0.000 0.851 342 D CB -0.242 40.566 40.800 0.013 0.000 0.943 342 D HN 0.356 nan 8.370 nan 0.000 0.488 343 R N -0.281 120.228 120.500 0.015 0.000 2.435 343 R HA 0.268 4.608 4.340 0.000 0.000 0.221 343 R C -0.016 176.324 176.300 0.067 0.000 0.885 343 R CA -0.061 56.091 56.100 0.087 0.000 1.018 343 R CB 0.897 31.328 30.300 0.218 0.000 1.259 343 R HN 0.079 nan 8.270 nan 0.000 0.597 344 V N 3.628 123.569 119.914 0.045 0.000 2.348 344 V HA 0.227 4.347 4.120 0.000 0.000 0.270 344 V C 0.804 176.881 176.094 -0.029 0.000 1.037 344 V CA -0.107 62.220 62.300 0.046 0.000 0.872 344 V CB 1.625 33.482 31.823 0.058 0.000 1.002 344 V HN -0.007 nan 8.190 nan 0.000 0.464 345 K N 4.253 124.646 120.400 -0.011 0.000 2.367 345 K HA 0.459 4.779 4.320 0.000 0.000 0.195 345 K C 0.053 176.598 176.600 -0.091 0.000 1.060 345 K CA 0.478 56.740 56.287 -0.042 0.000 1.022 345 K CB 1.134 33.677 32.500 0.072 0.000 0.894 345 K HN 0.503 nan 8.250 nan 0.000 0.540 346 I N 0.108 120.613 120.570 -0.108 0.000 2.865 346 I HA 0.517 4.687 4.170 0.000 0.000 0.302 346 I C -1.211 174.898 176.117 -0.014 0.000 1.140 346 I CA -1.166 60.062 61.300 -0.119 0.000 1.021 346 I CB 2.455 40.311 38.000 -0.240 0.000 1.233 346 I HN -0.152 nan 8.210 nan 0.000 0.427 347 A N 3.155 125.999 122.820 0.039 0.000 2.594 347 A HA 0.748 5.069 4.320 0.000 0.000 0.296 347 A C -1.796 175.950 177.584 0.269 0.000 1.061 347 A CA -0.442 51.709 52.037 0.191 0.000 0.689 347 A CB 1.574 20.638 19.000 0.106 0.000 1.280 347 A HN 0.706 nan 8.150 nan 0.000 0.406 348 C N 1.988 121.499 119.300 0.350 0.000 2.571 348 C HA 0.502 4.962 4.460 0.000 0.000 0.343 348 C C -0.198 174.714 174.990 -0.130 0.000 1.082 348 C CA -0.466 58.643 59.018 0.151 0.000 1.339 348 C CB 0.295 28.075 27.740 0.066 0.000 1.893 348 C HN 0.962 nan 8.230 nan 0.000 0.445 349 L N 3.992 124.970 121.223 -0.409 0.000 2.597 349 L HA 0.426 4.767 4.340 0.000 0.000 0.271 349 L C 0.599 177.138 176.870 -0.552 0.000 1.157 349 L CA 0.636 54.831 54.840 -1.075 0.000 0.928 349 L CB 0.163 41.522 42.059 -1.167 0.000 1.216 349 L HN 0.791 nan 8.230 nan 0.000 0.481 350 A N 6.366 128.934 122.820 -0.421 0.000 2.279 350 A HA 0.586 4.906 4.320 0.000 0.000 0.306 350 A C -0.102 177.338 177.584 -0.240 0.000 1.300 350 A CA -0.408 51.564 52.037 -0.109 0.000 0.925 350 A CB 0.195 19.328 19.000 0.221 0.000 1.152 350 A HN 0.858 nan 8.150 nan 0.000 0.544 351 Q N 0.983 120.569 119.800 -0.356 0.000 2.873 351 Q HA 0.413 4.753 4.340 0.000 0.000 0.297 351 Q C 0.294 176.065 176.000 -0.381 0.000 1.064 351 Q CA -1.011 54.546 55.803 -0.410 0.000 0.816 351 Q CB 1.167 29.540 28.738 -0.609 0.000 1.481 351 Q HN 0.573 nan 8.270 nan 0.000 0.488 352 L N 0.087 121.114 121.223 -0.327 0.000 2.127 352 L HA 0.170 4.510 4.340 0.000 0.000 0.203 352 L C -0.139 176.578 176.870 -0.254 0.000 1.080 352 L CA 1.286 55.968 54.840 -0.263 0.000 0.768 352 L CB 0.933 42.919 42.059 -0.121 0.000 0.924 352 L HN 0.344 nan 8.230 nan 0.000 0.444 353 V N 0.384 120.127 119.914 -0.285 0.000 2.577 353 V HA 0.348 4.468 4.120 0.000 0.000 0.303 353 V C 0.409 176.312 176.094 -0.317 0.000 1.042 353 V CA -0.362 61.772 62.300 -0.277 0.000 0.872 353 V CB 1.304 32.975 31.823 -0.253 0.000 0.998 353 V HN 0.495 nan 8.190 nan 0.000 0.423 354 N N 1.519 120.035 118.700 -0.307 0.000 1.922 354 N HA -0.210 4.530 4.740 0.000 0.000 0.219 354 N C 0.338 175.645 175.510 -0.340 0.000 0.931 354 N CA 1.613 54.482 53.050 -0.302 0.000 3.603 354 N CB -0.533 37.798 38.487 -0.259 0.000 0.737 354 N HN 0.514 nan 8.380 nan 0.000 0.353 355 V N 3.506 123.182 119.914 -0.398 0.000 2.405 355 V HA 0.219 4.339 4.120 0.000 0.000 0.264 355 V C 0.774 176.585 176.094 -0.471 0.000 1.048 355 V CA 0.483 62.490 62.300 -0.488 0.000 0.966 355 V CB -0.147 31.323 31.823 -0.588 0.000 1.015 355 V HN 0.392 nan 8.190 nan 0.000 0.477 356 I N 2.971 123.270 120.570 -0.452 0.000 3.738 356 I HA -0.205 3.965 4.170 0.000 0.000 0.126 356 I C 0.129 176.161 176.117 -0.142 0.000 1.027 356 I CA 0.768 61.898 61.300 -0.284 0.000 2.739 356 I CB -1.278 36.474 38.000 -0.414 0.000 1.336 356 I HN 0.622 nan 8.210 nan 0.000 0.342 357 A N 5.437 128.214 122.820 -0.070 0.000 2.435 357 A HA 0.921 5.241 4.320 0.000 0.000 0.304 357 A C -1.837 175.652 177.584 -0.159 0.000 1.064 357 A CA -1.271 50.645 52.037 -0.201 0.000 0.727 357 A CB 1.635 20.463 19.000 -0.286 0.000 1.284 357 A HN 0.334 nan 8.150 nan 0.000 0.415 358 P HA 0.122 nan 4.420 nan 0.000 0.236 358 P C -0.064 177.150 177.300 -0.144 0.000 1.177 358 P CA 0.877 63.856 63.100 -0.202 0.000 0.773 358 P CB 0.135 31.642 31.700 -0.322 0.000 0.878 359 I N 0.372 120.804 120.570 -0.229 0.000 2.436 359 I HA 0.340 4.510 4.170 0.000 0.000 0.289 359 I C 0.120 175.971 176.117 -0.445 0.000 1.010 359 I CA -0.750 60.373 61.300 -0.294 0.000 1.098 359 I CB 1.795 39.706 38.000 -0.149 0.000 1.266 359 I HN -0.268 nan 8.210 nan 0.000 0.434 360 M N 4.673 123.840 119.600 -0.721 0.000 2.535 360 M HA 0.541 5.021 4.480 0.000 0.000 0.314 360 M C -0.219 175.807 176.300 -0.456 0.000 1.153 360 M CA -0.570 54.306 55.300 -0.707 0.000 0.924 360 M CB 2.102 33.992 32.600 -1.184 0.000 1.710 360 M HN 0.662 nan 8.290 nan 0.000 0.451 361 T N -1.157 113.299 114.554 -0.163 0.000 2.916 361 T HA 0.786 5.136 4.350 0.000 0.000 0.292 361 T C -0.695 174.069 174.700 0.106 0.000 1.064 361 T CA -0.844 61.265 62.100 0.014 0.000 1.011 361 T CB 2.619 71.479 68.868 -0.014 0.000 1.152 361 T HN 0.611 nan 8.240 nan 0.000 0.510 362 E N 0.421 120.705 120.200 0.140 0.000 2.288 362 E HA 0.327 4.677 4.350 0.000 0.000 0.268 362 E C -0.899 175.744 176.600 0.071 0.000 0.885 362 E CA -1.081 55.379 56.400 0.101 0.000 0.767 362 E CB 2.634 32.397 29.700 0.105 0.000 1.220 362 E HN 0.614 nan 8.360 nan 0.000 0.427 363 K N 1.651 122.066 120.400 0.025 0.000 2.484 363 K HA -0.053 4.268 4.320 0.000 0.000 0.280 363 K C -0.206 176.347 176.600 -0.079 0.000 1.013 363 K CA 0.606 56.888 56.287 -0.009 0.000 1.029 363 K CB -0.016 32.472 32.500 -0.022 0.000 0.902 363 K HN 0.606 nan 8.250 nan 0.000 0.481 364 N N 0.792 119.366 118.700 -0.210 0.000 2.681 364 N HA -0.247 4.493 4.740 0.000 0.000 0.250 364 N C -0.217 175.085 175.510 -0.347 0.000 1.133 364 N CA 0.919 53.714 53.050 -0.427 0.000 0.732 364 N CB -0.446 37.903 38.487 -0.230 0.000 1.107 364 N HN 0.763 nan 8.380 nan 0.000 0.559 365 G N -0.893 107.808 108.800 -0.165 0.000 3.211 365 G HA2 0.714 4.674 3.960 0.000 0.000 0.262 365 G HA3 0.714 4.674 3.960 0.000 0.000 0.262 365 G C -2.904 172.105 174.900 0.182 0.000 1.352 365 G CA -0.818 44.289 45.100 0.011 0.000 1.004 365 G HN -0.052 nan 8.290 nan 0.000 0.559 366 P HA 0.501 nan 4.420 nan 0.000 0.276 366 P C -0.820 176.618 177.300 0.230 0.000 1.252 366 P CA -0.159 63.053 63.100 0.186 0.000 0.802 366 P CB 1.513 33.296 31.700 0.138 0.000 1.035 367 A N 1.675 124.602 122.820 0.178 0.000 2.342 367 A HA 0.796 5.116 4.320 0.000 0.000 0.323 367 A C -0.884 176.802 177.584 0.170 0.000 1.125 367 A CA -0.540 51.564 52.037 0.112 0.000 0.785 367 A CB 0.898 19.900 19.000 0.003 0.000 1.221 367 A HN 0.671 nan 8.150 nan 0.000 0.463 368 W N 0.760 122.023 121.300 -0.062 0.000 3.032 368 W HA 0.672 5.332 4.660 0.000 0.000 0.341 368 W C -1.479 174.951 176.519 -0.149 0.000 1.202 368 W CA -1.272 56.017 57.345 -0.092 0.000 1.132 368 W CB 0.807 30.236 29.460 -0.051 0.000 1.465 368 W HN 0.562 nan 8.180 nan 0.000 0.576 369 K N 2.269 122.646 120.400 -0.037 0.000 2.263 369 K HA 0.195 4.515 4.320 0.000 0.000 0.272 369 K C 0.471 177.065 176.600 -0.010 0.000 1.033 369 K CA -0.494 55.602 56.287 -0.319 0.000 0.884 369 K CB 1.876 33.941 32.500 -0.725 0.000 1.107 369 K HN 0.208 nan 8.250 nan 0.000 0.460 370 Q N 0.606 120.333 119.800 -0.122 0.000 2.584 370 Q HA -0.016 4.325 4.340 0.000 0.000 0.218 370 Q C 1.443 177.556 176.000 0.188 0.000 1.079 370 Q CA 0.403 56.271 55.803 0.109 0.000 1.008 370 Q CB 0.518 29.305 28.738 0.083 0.000 1.267 370 Q HN 0.791 nan 8.270 nan 0.000 0.586 371 T N -2.087 112.656 114.554 0.315 0.000 2.759 371 T HA -0.186 4.164 4.350 0.000 0.000 0.269 371 T C 1.800 176.636 174.700 0.225 0.000 1.042 371 T CA 1.891 64.207 62.100 0.360 0.000 1.140 371 T CB -0.559 68.539 68.868 0.384 0.000 0.864 371 T HN 0.697 nan 8.240 nan 0.000 0.455 372 I N -2.032 118.570 120.570 0.053 0.000 3.001 372 I HA 0.105 4.276 4.170 0.000 0.000 0.268 372 I C 2.360 178.402 176.117 -0.126 0.000 1.267 372 I CA 0.518 61.750 61.300 -0.113 0.000 1.472 372 I CB -0.809 36.969 38.000 -0.370 0.000 1.089 372 I HN 0.042 nan 8.210 nan 0.000 0.468 373 Y N 1.647 121.777 120.300 -0.285 0.000 2.165 373 Y HA -0.291 4.259 4.550 0.000 0.000 0.286 373 Y C 2.084 177.767 175.900 -0.361 0.000 1.155 373 Y CA 1.816 59.682 58.100 -0.389 0.000 1.164 373 Y CB -0.435 37.677 38.460 -0.580 0.000 0.978 373 Y HN 0.140 nan 8.280 nan 0.000 0.513 374 Y N 0.209 120.586 120.300 0.129 0.000 2.133 374 Y HA -0.111 4.440 4.550 0.000 0.000 0.287 374 Y C -0.173 175.559 175.900 -0.280 0.000 1.134 374 Y CA 1.344 59.413 58.100 -0.052 0.000 1.133 374 Y CB -2.248 36.253 38.460 0.068 0.000 0.987 374 Y HN 0.145 nan 8.280 nan 0.000 0.502 375 P HA -0.216 nan 4.420 nan 0.000 0.218 375 P C 1.616 178.814 177.300 -0.169 0.000 1.149 375 P CA 1.494 64.311 63.100 -0.472 0.000 0.817 375 P CB -0.277 30.762 31.700 -1.102 0.000 0.785 376 F N 0.549 120.341 119.950 -0.262 0.000 2.134 376 F HA -0.127 4.400 4.527 0.000 0.000 0.299 376 F C 2.637 178.303 175.800 -0.223 0.000 1.097 376 F CA 1.527 59.412 58.000 -0.192 0.000 1.264 376 F CB -0.626 38.220 39.000 -0.257 0.000 1.001 376 F HN -0.254 nan 8.300 nan 0.000 0.479 377 M N -0.696 118.774 119.600 -0.215 0.000 2.086 377 M HA -0.242 4.238 4.480 0.000 0.000 0.261 377 M C 2.223 178.436 176.300 -0.144 0.000 1.067 377 M CA 1.879 57.019 55.300 -0.267 0.000 1.116 377 M CB -0.608 31.860 32.600 -0.221 0.000 1.348 377 M HN 0.119 nan 8.290 nan 0.000 0.407 378 H N 0.402 119.569 119.070 0.162 0.000 2.353 378 H HA -0.016 4.541 4.556 0.000 0.000 0.300 378 H C 2.264 177.801 175.328 0.347 0.000 1.090 378 H CA 1.824 58.131 56.048 0.432 0.000 1.327 378 H CB -0.898 29.370 29.762 0.843 0.000 1.383 378 H HN 0.587 nan 8.280 nan 0.000 0.508 379 A N 0.084 123.016 122.820 0.186 0.000 1.873 379 A HA -0.169 4.151 4.320 0.000 0.000 0.215 379 A C 2.771 179.937 177.584 -0.697 0.000 1.186 379 A CA 1.872 53.774 52.037 -0.224 0.000 0.616 379 A CB -0.878 17.974 19.000 -0.247 0.000 0.823 379 A HN 0.392 nan 8.150 nan 0.000 0.442 380 S N -0.793 114.318 115.700 -0.982 0.000 2.359 380 S HA -0.131 4.339 4.470 0.000 0.000 0.224 380 S C 1.907 176.092 174.600 -0.692 0.000 1.035 380 S CA 1.765 59.203 58.200 -1.270 0.000 1.018 380 S CB -0.404 62.281 63.200 -0.858 0.000 0.876 380 S HN 0.290 nan 8.310 nan 0.000 0.448 381 V N 0.020 119.649 119.914 -0.475 0.000 2.346 381 V HA -0.029 4.091 4.120 0.000 0.000 0.244 381 V C 1.742 177.625 176.094 -0.352 0.000 1.037 381 V CA 1.454 63.475 62.300 -0.465 0.000 1.029 381 V CB -0.718 30.699 31.823 -0.677 0.000 0.663 381 V HN 0.575 nan 8.190 nan 0.000 0.454 382 Y N 0.413 120.752 120.300 0.064 0.000 2.462 382 Y HA 0.408 4.958 4.550 0.000 0.000 0.261 382 Y C 2.069 178.106 175.900 0.229 0.000 1.146 382 Y CA 0.178 58.354 58.100 0.127 0.000 1.283 382 Y CB -0.353 38.184 38.460 0.129 0.000 1.090 382 Y HN 0.219 nan 8.280 nan 0.000 0.526 383 G N 0.667 109.633 108.800 0.276 0.000 3.702 383 G HA2 0.117 4.077 3.960 0.000 0.000 0.288 383 G HA3 0.117 4.077 3.960 0.000 0.000 0.288 383 G C 0.257 175.295 174.900 0.230 0.000 1.193 383 G CA -0.404 44.887 45.100 0.319 0.000 0.952 383 G HN -0.130 nan 8.290 nan 0.000 0.544 384 R N 0.494 121.081 120.500 0.145 0.000 2.349 384 R HA 0.727 5.067 4.340 0.000 0.000 0.299 384 R C 0.589 176.953 176.300 0.108 0.000 1.027 384 R CA 0.410 56.589 56.100 0.132 0.000 0.958 384 R CB 1.139 31.479 30.300 0.067 0.000 1.047 384 R HN 0.386 nan 8.270 nan 0.000 0.468 385 G N 0.480 109.333 108.800 0.088 0.000 2.236 385 G HA2 -0.120 3.840 3.960 0.000 0.000 0.231 385 G HA3 -0.120 3.840 3.960 0.000 0.000 0.231 385 G C -1.599 173.341 174.900 0.068 0.000 1.334 385 G CA -0.714 44.412 45.100 0.043 0.000 1.137 385 G HN 0.366 nan 8.290 nan 0.000 0.482 386 V N 1.512 121.475 119.914 0.083 0.000 2.398 386 V HA 0.704 4.824 4.120 0.000 0.000 0.286 386 V C 0.914 177.106 176.094 0.163 0.000 1.026 386 V CA 0.038 62.409 62.300 0.118 0.000 0.868 386 V CB 1.012 32.923 31.823 0.147 0.000 0.982 386 V HN 1.788 nan 8.190 nan 0.000 0.443 387 A N 6.337 129.236 122.820 0.131 0.000 2.409 387 A HA 0.674 4.994 4.320 0.000 0.000 0.262 387 A C -0.346 177.323 177.584 0.142 0.000 1.113 387 A CA -0.194 51.921 52.037 0.130 0.000 0.790 387 A CB 0.046 19.092 19.000 0.077 0.000 1.046 387 A HN 0.809 nan 8.150 nan 0.000 0.496 388 L N 2.383 123.703 121.223 0.162 0.000 2.360 388 L HA 0.283 4.623 4.340 0.000 0.000 0.271 388 L C 0.629 177.597 176.870 0.163 0.000 1.057 388 L CA -0.868 54.087 54.840 0.193 0.000 0.803 388 L CB 0.977 43.163 42.059 0.212 0.000 1.207 388 L HN 0.755 nan 8.230 nan 0.000 0.445 389 H N 4.492 123.633 119.070 0.118 0.000 2.955 389 H HA 0.149 4.705 4.556 0.000 0.000 0.290 389 H C -2.295 173.039 175.328 0.011 0.000 1.047 389 H CA -1.590 54.497 56.048 0.066 0.000 1.484 389 H CB 0.834 30.658 29.762 0.104 0.000 1.501 389 H HN 0.231 nan 8.280 nan 0.000 0.521 390 P HA 0.040 nan 4.420 nan 0.000 0.282 390 P C -0.775 176.614 177.300 0.147 0.000 1.262 390 P CA -0.350 62.793 63.100 0.072 0.000 0.773 390 P CB 1.198 32.897 31.700 -0.002 0.000 0.879 391 V N 5.855 125.804 119.914 0.059 0.000 2.284 391 V HA 0.293 4.414 4.120 0.000 0.000 0.274 391 V C 0.539 176.627 176.094 -0.010 0.000 1.023 391 V CA -0.536 61.762 62.300 -0.004 0.000 0.808 391 V CB 0.422 32.166 31.823 -0.131 0.000 1.035 391 V HN 0.514 nan 8.190 nan 0.000 0.445 392 I N 1.786 122.361 120.570 0.008 0.000 2.797 392 I HA 0.877 5.047 4.170 0.000 0.000 0.307 392 I C -0.207 175.915 176.117 0.009 0.000 1.033 392 I CA -0.218 61.087 61.300 0.008 0.000 1.071 392 I CB 2.566 40.577 38.000 0.019 0.000 1.255 392 I HN 0.313 nan 8.210 nan 0.000 0.445 393 S N 3.272 118.980 115.700 0.013 0.000 2.745 393 S HA 0.632 5.102 4.470 0.000 0.000 0.283 393 S C -0.992 173.629 174.600 0.035 0.000 1.170 393 S CA -0.376 57.834 58.200 0.018 0.000 1.119 393 S CB 0.225 63.431 63.200 0.009 0.000 1.035 393 S HN 0.905 nan 8.310 nan 0.000 0.483 394 S N 4.981 120.711 115.700 0.049 0.000 2.536 394 S HA 0.794 5.264 4.470 0.000 0.000 0.298 394 S C -2.656 172.009 174.600 0.107 0.000 1.083 394 S CA -1.489 56.762 58.200 0.084 0.000 0.995 394 S CB 1.017 64.275 63.200 0.097 0.000 1.058 394 S HN 0.629 nan 8.310 nan 0.000 0.488 395 P HA 0.324 nan 4.420 nan 0.000 0.271 395 P C -1.276 176.180 177.300 0.260 0.000 1.233 395 P CA -0.200 63.040 63.100 0.233 0.000 0.789 395 P CB 0.259 32.137 31.700 0.297 0.000 0.951 396 K N -0.083 120.411 120.400 0.157 0.000 2.555 396 K HA 0.664 4.984 4.320 0.000 0.000 0.279 396 K C -1.078 175.460 176.600 -0.103 0.000 0.986 396 K CA -0.959 55.263 56.287 -0.108 0.000 0.880 396 K CB 1.700 34.145 32.500 -0.091 0.000 1.474 396 K HN 0.589 nan 8.250 nan 0.000 0.433 397 Y N -1.831 118.252 120.300 -0.362 0.000 2.644 397 Y HA 0.618 5.168 4.550 0.000 0.000 0.338 397 Y C -1.778 174.052 175.900 -0.115 0.000 1.119 397 Y CA -1.199 56.763 58.100 -0.229 0.000 1.060 397 Y CB 1.741 39.990 38.460 -0.351 0.000 1.294 397 Y HN 0.443 nan 8.280 nan 0.000 0.472 398 D N 1.359 121.851 120.400 0.154 0.000 2.256 398 D HA 0.488 5.128 4.640 0.000 0.000 0.246 398 D C -0.717 175.720 176.300 0.229 0.000 1.042 398 D CA -0.347 53.704 54.000 0.084 0.000 0.841 398 D CB 2.102 42.941 40.800 0.066 0.000 1.223 398 D HN 0.761 nan 8.370 nan 0.000 0.470 399 S N 0.447 116.257 115.700 0.184 0.000 2.806 399 S HA 0.341 4.811 4.470 0.000 0.000 0.315 399 S C 1.089 175.766 174.600 0.128 0.000 1.127 399 S CA -0.751 57.584 58.200 0.226 0.000 0.918 399 S CB 2.436 65.830 63.200 0.322 0.000 1.240 399 S HN 0.365 nan 8.310 nan 0.000 0.552 400 K N 0.197 120.661 120.400 0.107 0.000 2.034 400 K HA -0.190 4.130 4.320 0.000 0.000 0.214 400 K C 0.236 176.812 176.600 -0.040 0.000 1.051 400 K CA 2.269 58.578 56.287 0.036 0.000 0.931 400 K CB -0.494 32.028 32.500 0.035 0.000 0.715 400 K HN 0.665 nan 8.250 nan 0.000 0.446 401 D N -1.475 118.866 120.400 -0.098 0.000 2.398 401 D HA 0.137 4.777 4.640 0.000 0.000 0.210 401 D C -0.544 175.272 176.300 -0.807 0.000 1.094 401 D CA 0.228 53.968 54.000 -0.434 0.000 0.839 401 D CB 0.345 40.807 40.800 -0.563 0.000 0.963 401 D HN 0.005 nan 8.370 nan 0.000 0.506 402 F N 0.170 120.093 119.950 -0.045 0.000 2.613 402 F HA 0.324 4.851 4.527 0.000 0.000 0.310 402 F C 0.250 175.987 175.800 -0.104 0.000 1.085 402 F CA -1.074 56.877 58.000 -0.083 0.000 0.945 402 F CB 1.804 40.727 39.000 -0.129 0.000 1.298 402 F HN -0.388 nan 8.300 nan 0.000 0.455 403 T N -2.184 112.422 114.554 0.087 0.000 2.885 403 T HA 0.421 4.771 4.350 0.000 0.000 0.285 403 T C -0.758 173.909 174.700 -0.054 0.000 1.019 403 T CA -0.873 61.227 62.100 -0.001 0.000 1.010 403 T CB 1.700 70.569 68.868 0.001 0.000 1.022 403 T HN 0.629 nan 8.240 nan 0.000 0.466 404 D N 0.076 120.414 120.400 -0.102 0.000 2.708 404 D HA -0.125 4.515 4.640 0.000 0.000 0.236 404 D C -0.153 176.012 176.300 -0.225 0.000 1.146 404 D CA 0.363 54.285 54.000 -0.129 0.000 0.662 404 D CB -1.503 39.261 40.800 -0.059 0.000 1.059 404 D HN 0.536 nan 8.370 nan 0.000 0.428 405 V N 0.935 120.587 119.914 -0.437 0.000 2.425 405 V HA 0.101 4.221 4.120 0.000 0.000 0.276 405 V C -1.641 174.126 176.094 -0.545 0.000 1.017 405 V CA -0.805 61.121 62.300 -0.623 0.000 1.062 405 V CB 0.480 31.593 31.823 -1.183 0.000 0.997 405 V HN -0.010 nan 8.190 nan 0.000 0.476 406 P HA 0.069 nan 4.420 nan 0.000 0.267 406 P C 0.103 177.378 177.300 -0.041 0.000 1.209 406 P CA 0.076 63.104 63.100 -0.120 0.000 0.763 406 P CB 0.307 31.980 31.700 -0.045 0.000 0.816 407 Y N 2.552 122.936 120.300 0.140 0.000 2.256 407 Y HA -0.080 4.470 4.550 0.000 0.000 0.288 407 Y C 1.306 177.277 175.900 0.119 0.000 1.155 407 Y CA 1.056 59.272 58.100 0.193 0.000 1.203 407 Y CB -0.345 38.211 38.460 0.161 0.000 0.980 407 Y HN 0.246 nan 8.280 nan 0.000 0.530 408 L N 1.125 122.480 121.223 0.220 0.000 2.265 408 L HA 0.368 4.708 4.340 0.000 0.000 0.289 408 L C -0.679 176.247 176.870 0.093 0.000 1.033 408 L CA -0.606 54.320 54.840 0.144 0.000 0.814 408 L CB 0.975 43.101 42.059 0.111 0.000 1.203 408 L HN -0.115 nan 8.230 nan 0.000 0.423 409 E N 3.435 123.693 120.200 0.096 0.000 2.113 409 E HA 0.666 5.016 4.350 0.000 0.000 0.273 409 E C -1.280 175.377 176.600 0.094 0.000 0.924 409 E CA -0.078 56.366 56.400 0.074 0.000 0.764 409 E CB 1.195 30.937 29.700 0.070 0.000 1.104 409 E HN 0.588 nan 8.360 nan 0.000 0.406 410 S N 4.044 119.789 115.700 0.075 0.000 2.547 410 S HA 0.703 5.173 4.470 0.000 0.000 0.270 410 S C -1.679 172.969 174.600 0.079 0.000 1.150 410 S CA -0.746 57.505 58.200 0.084 0.000 0.850 410 S CB 0.560 63.792 63.200 0.053 0.000 1.118 410 S HN 0.572 nan 8.310 nan 0.000 0.461 411 I N 2.053 122.695 120.570 0.120 0.000 2.918 411 I HA 0.770 4.940 4.170 0.000 0.000 0.301 411 I C -1.054 175.153 176.117 0.149 0.000 1.312 411 I CA -0.682 60.689 61.300 0.119 0.000 1.007 411 I CB 1.967 40.041 38.000 0.122 0.000 1.281 411 I HN 0.891 nan 8.210 nan 0.000 0.440 412 A N 5.698 128.581 122.820 0.104 0.000 2.324 412 A HA 0.815 5.135 4.320 0.000 0.000 0.330 412 A C -1.437 176.229 177.584 0.136 0.000 1.165 412 A CA -0.469 51.608 52.037 0.066 0.000 0.813 412 A CB 1.538 20.536 19.000 -0.004 0.000 1.197 412 A HN 0.408 nan 8.150 nan 0.000 0.484 413 V N 2.458 122.456 119.914 0.140 0.000 2.487 413 V HA 0.344 4.464 4.120 0.000 0.000 0.298 413 V C -1.231 174.970 176.094 0.179 0.000 1.028 413 V CA -0.482 61.939 62.300 0.201 0.000 0.860 413 V CB 1.413 33.415 31.823 0.298 0.000 0.991 413 V HN 0.795 nan 8.190 nan 0.000 0.427 414 Y N 5.010 125.344 120.300 0.058 0.000 2.328 414 Y HA 0.544 5.094 4.550 0.000 0.000 0.337 414 Y C -0.168 175.781 175.900 0.082 0.000 0.966 414 Y CA -1.535 56.585 58.100 0.033 0.000 1.136 414 Y CB 1.388 39.922 38.460 0.124 0.000 1.170 414 Y HN 0.667 nan 8.280 nan 0.000 0.470 415 N N 5.721 124.372 118.700 -0.080 0.000 2.621 415 N HA 0.075 4.815 4.740 0.000 0.000 0.237 415 N C 0.611 175.913 175.510 -0.347 0.000 0.997 415 N CA -0.013 52.917 53.050 -0.199 0.000 0.918 415 N CB 0.813 39.293 38.487 -0.011 0.000 1.122 415 N HN 1.033 nan 8.380 nan 0.000 0.510 416 E N 2.579 122.377 120.200 -0.670 0.000 2.150 416 E HA -0.121 4.230 4.350 0.000 0.000 0.193 416 E C 0.622 177.167 176.600 -0.092 0.000 0.985 416 E CA 1.132 57.254 56.400 -0.464 0.000 0.814 416 E CB 0.279 29.715 29.700 -0.440 0.000 0.752 416 E HN 0.585 nan 8.360 nan 0.000 0.466 417 E N 0.386 120.533 120.200 -0.088 0.000 2.072 417 E HA -0.146 4.204 4.350 0.000 0.000 0.191 417 E C 1.759 178.362 176.600 0.005 0.000 0.985 417 E CA 1.005 57.391 56.400 -0.023 0.000 0.801 417 E CB 0.082 29.767 29.700 -0.024 0.000 0.750 417 E HN 0.241 nan 8.360 nan 0.000 0.452 418 K N 0.444 120.849 120.400 0.009 0.000 2.393 418 K HA 0.021 4.341 4.320 0.000 0.000 0.193 418 K C -0.307 176.323 176.600 0.050 0.000 1.026 418 K CA 0.080 56.384 56.287 0.028 0.000 1.064 418 K CB 0.358 32.880 32.500 0.036 0.000 0.833 418 K HN 0.061 nan 8.250 nan 0.000 0.521 419 E N 1.418 121.678 120.200 0.100 0.000 2.252 419 E HA -0.222 4.128 4.350 0.000 0.000 0.218 419 E C -1.060 175.680 176.600 0.233 0.000 1.253 419 E CA 0.591 57.121 56.400 0.218 0.000 0.705 419 E CB -1.371 28.380 29.700 0.084 0.000 1.172 419 E HN 0.409 nan 8.360 nan 0.000 0.369 420 E N -0.472 119.906 120.200 0.297 0.000 2.312 420 E HA 0.613 4.963 4.350 0.000 0.000 0.267 420 E C -0.830 175.920 176.600 0.250 0.000 0.894 420 E CA -1.004 55.554 56.400 0.264 0.000 0.773 420 E CB 2.609 32.371 29.700 0.105 0.000 1.241 420 E HN -0.029 nan 8.360 nan 0.000 0.432 421 V N 1.769 121.722 119.914 0.065 0.000 2.483 421 V HA 0.344 4.464 4.120 0.000 0.000 0.297 421 V C -0.609 175.379 176.094 -0.177 0.000 1.027 421 V CA -0.635 61.563 62.300 -0.170 0.000 0.855 421 V CB 1.959 33.410 31.823 -0.619 0.000 0.995 421 V HN 0.693 nan 8.190 nan 0.000 0.424 422 T N 6.325 120.767 114.554 -0.187 0.000 2.779 422 T HA 0.640 4.990 4.350 0.000 0.000 0.280 422 T C -0.231 174.192 174.700 -0.462 0.000 0.987 422 T CA -0.124 61.746 62.100 -0.383 0.000 0.966 422 T CB 0.936 69.526 68.868 -0.464 0.000 0.933 422 T HN 0.394 nan 8.240 nan 0.000 0.442 423 I N 4.028 124.311 120.570 -0.478 0.000 2.312 423 I HA 0.376 4.546 4.170 0.000 0.000 0.290 423 I C -0.623 175.195 176.117 -0.498 0.000 1.008 423 I CA -0.646 60.442 61.300 -0.354 0.000 1.226 423 I CB 0.538 38.410 38.000 -0.213 0.000 1.371 423 I HN 0.503 nan 8.210 nan 0.000 0.468 424 F N 5.134 124.993 119.950 -0.152 0.000 2.394 424 F HA 0.736 5.264 4.527 0.000 0.000 0.340 424 F C 0.528 176.193 175.800 -0.225 0.000 1.105 424 F CA -0.494 57.325 58.000 -0.303 0.000 1.124 424 F CB 1.448 40.346 39.000 -0.170 0.000 1.145 424 F HN 0.445 nan 8.300 nan 0.000 0.505 425 A N 2.254 124.981 122.820 -0.155 0.000 2.513 425 A HA 0.707 5.027 4.320 0.000 0.000 0.296 425 A C -1.701 175.913 177.584 0.049 0.000 1.052 425 A CA -0.652 51.377 52.037 -0.013 0.000 0.714 425 A CB 1.020 20.010 19.000 -0.016 0.000 1.279 425 A HN 0.489 nan 8.150 nan 0.000 0.397 426 V N 2.273 122.293 119.914 0.176 0.000 2.547 426 V HA 0.482 4.602 4.120 0.000 0.000 0.299 426 V C -0.194 176.008 176.094 0.180 0.000 1.040 426 V CA -0.788 61.653 62.300 0.235 0.000 0.913 426 V CB 1.927 33.916 31.823 0.277 0.000 0.992 426 V HN 0.868 nan 8.190 nan 0.000 0.449 427 N N 3.176 121.989 118.700 0.187 0.000 2.469 427 N HA 0.322 5.062 4.740 0.000 0.000 0.253 427 N C 0.749 176.382 175.510 0.206 0.000 0.970 427 N CA -0.428 52.731 53.050 0.182 0.000 0.940 427 N CB 1.134 39.706 38.487 0.142 0.000 1.128 427 N HN 0.499 nan 8.380 nan 0.000 0.503 428 R N 1.014 121.671 120.500 0.262 0.000 2.276 428 R HA 0.032 4.372 4.340 0.000 0.000 0.203 428 R C -0.155 176.301 176.300 0.260 0.000 1.017 428 R CA 0.041 56.298 56.100 0.262 0.000 1.010 428 R CB 0.075 30.571 30.300 0.327 0.000 0.900 428 R HN 0.550 nan 8.270 nan 0.000 0.469 429 D N 1.058 121.626 120.400 0.280 0.000 2.520 429 D HA -0.094 4.546 4.640 0.000 0.000 0.243 429 D C 0.882 177.203 176.300 0.034 0.000 1.160 429 D CA 0.575 54.607 54.000 0.053 0.000 0.877 429 D CB 0.778 41.397 40.800 -0.302 0.000 1.150 429 D HN 0.082 nan 8.370 nan 0.000 0.494 430 M N 2.398 122.006 119.600 0.014 0.000 2.558 430 M HA -0.007 4.473 4.480 0.000 0.000 0.255 430 M C 1.325 177.632 176.300 0.012 0.000 1.113 430 M CA 0.718 56.035 55.300 0.029 0.000 1.097 430 M CB 0.399 33.008 32.600 0.016 0.000 1.426 430 M HN 0.399 nan 8.290 nan 0.000 0.488 431 E N -0.367 119.817 120.200 -0.027 0.000 2.357 431 E HA 0.054 4.404 4.350 0.000 0.000 0.202 431 E C -0.262 176.314 176.600 -0.040 0.000 0.855 431 E CA 0.172 56.555 56.400 -0.027 0.000 1.048 431 E CB 0.794 30.473 29.700 -0.035 0.000 1.037 431 E HN 0.291 nan 8.360 nan 0.000 0.499 432 D N 0.765 121.111 120.400 -0.090 0.000 2.185 432 D HA 0.389 5.029 4.640 0.000 0.000 0.247 432 D C -0.400 175.856 176.300 -0.074 0.000 1.027 432 D CA -0.281 53.665 54.000 -0.090 0.000 0.861 432 D CB 1.654 42.373 40.800 -0.134 0.000 1.202 432 D HN 0.093 nan 8.370 nan 0.000 0.453 433 A N 1.364 124.163 122.820 -0.034 0.000 2.492 433 A HA 0.279 4.599 4.320 0.000 0.000 0.236 433 A C -0.378 177.184 177.584 -0.036 0.000 1.078 433 A CA 0.040 52.069 52.037 -0.013 0.000 0.773 433 A CB 0.183 19.186 19.000 0.004 0.000 1.023 433 A HN 0.432 nan 8.150 nan 0.000 0.504 434 L N 2.040 123.257 121.223 -0.011 0.000 2.372 434 L HA 0.478 4.818 4.340 0.000 0.000 0.274 434 L C -1.216 175.653 176.870 -0.002 0.000 0.988 434 L CA -0.590 54.243 54.840 -0.012 0.000 0.833 434 L CB 1.493 43.558 42.059 0.011 0.000 1.236 434 L HN 0.475 nan 8.230 nan 0.000 0.410 435 L N 5.978 127.195 121.223 -0.010 0.000 2.363 435 L HA 0.310 4.650 4.340 0.000 0.000 0.286 435 L C -0.313 176.548 176.870 -0.016 0.000 1.106 435 L CA -0.007 54.824 54.840 -0.016 0.000 0.859 435 L CB 0.456 42.505 42.059 -0.017 0.000 1.223 435 L HN 0.536 nan 8.230 nan 0.000 0.446 436 L N 4.612 125.819 121.223 -0.026 0.000 2.290 436 L HA 0.350 4.690 4.340 0.000 0.000 0.284 436 L C 0.109 176.955 176.870 -0.040 0.000 1.078 436 L CA 0.269 55.093 54.840 -0.027 0.000 0.815 436 L CB 0.616 42.655 42.059 -0.034 0.000 1.162 436 L HN 0.559 nan 8.230 nan 0.000 0.435 437 E N 4.745 124.928 120.200 -0.029 0.000 2.145 437 E HA 0.363 4.713 4.350 0.000 0.000 0.270 437 E C -1.248 175.335 176.600 -0.029 0.000 0.906 437 E CA -0.634 55.746 56.400 -0.032 0.000 0.761 437 E CB 1.236 30.922 29.700 -0.024 0.000 1.116 437 E HN 0.566 nan 8.360 nan 0.000 0.408 438 C N 2.671 121.949 119.300 -0.036 0.000 2.281 438 C HA 0.217 4.677 4.460 0.000 0.000 0.323 438 C C 0.074 175.052 174.990 -0.021 0.000 1.270 438 C CA -1.063 57.936 59.018 -0.031 0.000 1.559 438 C CB 0.074 27.787 27.740 -0.046 0.000 2.239 438 C HN 0.680 nan 8.230 nan 0.000 0.488 439 D N 2.435 122.826 120.400 -0.014 0.000 2.346 439 D HA 0.166 4.806 4.640 0.000 0.000 0.260 439 D C 0.626 176.933 176.300 0.012 0.000 1.252 439 D CA 0.092 54.088 54.000 -0.007 0.000 0.895 439 D CB 0.863 41.654 40.800 -0.015 0.000 1.097 439 D HN 0.513 nan 8.370 nan 0.000 0.489 440 V N 2.031 121.959 119.914 0.023 0.000 2.940 440 V HA 0.332 4.452 4.120 0.000 0.000 0.366 440 V C 1.564 177.688 176.094 0.050 0.000 1.353 440 V CA -0.480 61.864 62.300 0.073 0.000 1.232 440 V CB -0.147 31.714 31.823 0.064 0.000 1.278 440 V HN 0.344 nan 8.190 nan 0.000 0.546 441 R N 1.592 122.091 120.500 -0.001 0.000 2.127 441 R HA -0.110 4.230 4.340 0.000 0.000 0.238 441 R C 2.338 178.581 176.300 -0.095 0.000 1.134 441 R CA 1.824 57.906 56.100 -0.031 0.000 0.975 441 R CB -0.312 29.968 30.300 -0.034 0.000 0.865 441 R HN 0.813 nan 8.270 nan 0.000 0.447 442 S N -0.390 115.190 115.700 -0.200 0.000 2.607 442 S HA 0.017 4.487 4.470 0.000 0.000 0.224 442 S C 0.340 174.509 174.600 -0.717 0.000 0.969 442 S CA 0.148 58.093 58.200 -0.424 0.000 0.927 442 S CB 0.056 62.950 63.200 -0.510 0.000 0.772 442 S HN 0.127 nan 8.310 nan 0.000 0.533 443 F N 2.121 121.936 119.950 -0.225 0.000 2.366 443 F HA 0.459 4.986 4.527 0.000 0.000 0.357 443 F C 0.323 176.105 175.800 -0.031 0.000 1.107 443 F CA -0.976 56.825 58.000 -0.333 0.000 1.208 443 F CB 0.566 39.099 39.000 -0.778 0.000 1.464 443 F HN 0.058 nan 8.300 nan 0.000 0.501 444 E N 2.061 122.354 120.200 0.156 0.000 2.392 444 E HA 0.033 4.383 4.350 0.000 0.000 0.264 444 E C 0.035 176.789 176.600 0.257 0.000 1.024 444 E CA 0.424 56.919 56.400 0.158 0.000 0.903 444 E CB 0.351 30.102 29.700 0.085 0.000 0.963 444 E HN 0.461 nan 8.360 nan 0.000 0.432 445 D N 0.760 121.265 120.400 0.175 0.000 3.076 445 D HA -0.233 4.407 4.640 0.000 0.000 0.218 445 D C -0.814 175.558 176.300 0.120 0.000 1.156 445 D CA 0.952 55.024 54.000 0.120 0.000 0.921 445 D CB -1.468 39.374 40.800 0.069 0.000 1.113 445 D HN 0.351 nan 8.370 nan 0.000 0.418 446 Y N 0.746 121.072 120.300 0.042 0.000 2.299 446 Y HA 0.393 4.943 4.550 0.000 0.000 0.326 446 Y C 1.523 177.417 175.900 -0.011 0.000 1.164 446 Y CA -0.149 57.961 58.100 0.017 0.000 1.234 446 Y CB 0.829 39.295 38.460 0.010 0.000 1.219 446 Y HN -0.075 nan 8.280 nan 0.000 0.497 447 R N 0.270 120.796 120.500 0.043 0.000 2.854 447 R HA 0.750 5.090 4.340 0.000 0.000 0.271 447 R C -1.562 174.736 176.300 -0.003 0.000 0.996 447 R CA -1.182 54.924 56.100 0.009 0.000 0.961 447 R CB 0.484 30.768 30.300 -0.026 0.000 1.182 447 R HN 0.289 nan 8.270 nan 0.000 0.479 448 V N 2.956 122.857 119.914 -0.021 0.000 2.572 448 V HA 0.033 4.153 4.120 0.000 0.000 0.291 448 V C 1.228 177.293 176.094 -0.048 0.000 1.039 448 V CA 0.254 62.528 62.300 -0.043 0.000 1.055 448 V CB 0.339 32.131 31.823 -0.051 0.000 0.969 448 V HN 0.708 nan 8.190 nan 0.000 0.482 449 I N 2.870 123.402 120.570 -0.064 0.000 2.512 449 I HA 0.171 4.341 4.170 0.000 0.000 0.247 449 I C 0.872 176.951 176.117 -0.063 0.000 1.094 449 I CA 0.635 61.895 61.300 -0.066 0.000 1.427 449 I CB 0.265 38.215 38.000 -0.083 0.000 1.149 449 I HN 0.849 nan 8.210 nan 0.000 0.438 450 E N -0.190 119.960 120.200 -0.082 0.000 2.416 450 E HA 0.267 4.617 4.350 0.000 0.000 0.280 450 E C -1.007 175.566 176.600 -0.045 0.000 1.055 450 E CA -0.776 55.585 56.400 -0.066 0.000 0.825 450 E CB 1.704 31.352 29.700 -0.087 0.000 1.312 450 E HN 0.102 nan 8.360 nan 0.000 0.452 451 H N 2.213 121.206 119.070 -0.128 0.000 2.887 451 H HA 0.383 4.939 4.556 0.000 0.000 0.300 451 H C -0.984 174.285 175.328 -0.098 0.000 1.038 451 H CA -0.697 55.270 56.048 -0.136 0.000 1.352 451 H CB 0.631 30.335 29.762 -0.097 0.000 1.473 451 H HN 0.472 nan 8.280 nan 0.000 0.503 452 I N 5.154 125.494 120.570 -0.384 0.000 2.472 452 I HA 0.214 4.384 4.170 0.000 0.000 0.290 452 I C -0.184 175.663 176.117 -0.450 0.000 1.016 452 I CA -0.724 60.375 61.300 -0.335 0.000 1.348 452 I CB 1.528 39.322 38.000 -0.342 0.000 1.417 452 I HN 0.213 nan 8.210 nan 0.000 0.521 453 V N 6.422 126.181 119.914 -0.258 0.000 2.760 453 V HA 0.398 4.519 4.120 0.000 0.000 0.309 453 V C -0.772 175.177 176.094 -0.242 0.000 1.077 453 V CA -0.634 61.507 62.300 -0.266 0.000 0.910 453 V CB 2.267 33.955 31.823 -0.224 0.000 1.008 453 V HN 0.443 nan 8.190 nan 0.000 0.424 454 L N 5.023 126.277 121.223 0.052 0.000 2.343 454 L HA 0.802 5.142 4.340 0.000 0.000 0.278 454 L C -0.347 176.642 176.870 0.199 0.000 0.996 454 L CA 0.315 55.241 54.840 0.143 0.000 0.831 454 L CB 1.285 43.633 42.059 0.480 0.000 1.232 454 L HN 0.924 nan 8.230 nan 0.000 0.413 455 E N 3.154 123.270 120.200 -0.140 0.000 2.392 455 E HA 0.494 4.844 4.350 0.000 0.000 0.279 455 E C -1.650 174.575 176.600 -0.625 0.000 0.964 455 E CA -0.980 55.253 56.400 -0.279 0.000 0.777 455 E CB 1.965 31.636 29.700 -0.048 0.000 1.249 455 E HN 0.697 nan 8.360 nan 0.000 0.449 456 H N 0.433 118.884 119.070 -1.033 0.000 3.085 456 H HA 0.092 4.648 4.556 0.000 0.000 0.356 456 H C -0.496 174.667 175.328 -0.274 0.000 1.178 456 H CA -0.731 54.948 56.048 -0.614 0.000 1.214 456 H CB 1.971 31.332 29.762 -0.669 0.000 1.881 456 H HN 0.603 nan 8.280 nan 0.000 0.538 457 D N 1.520 121.840 120.400 -0.133 0.000 2.144 457 D HA -0.149 4.491 4.640 0.000 0.000 0.199 457 D C 0.441 176.648 176.300 -0.155 0.000 0.984 457 D CA 1.280 55.211 54.000 -0.114 0.000 0.834 457 D CB 0.111 40.861 40.800 -0.083 0.000 0.955 457 D HN 0.325 nan 8.370 nan 0.000 0.465 458 N N 0.517 118.977 118.700 -0.400 0.000 2.462 458 N HA 0.033 4.773 4.740 0.000 0.000 0.242 458 N C 1.158 176.675 175.510 0.011 0.000 1.010 458 N CA -0.215 52.714 53.050 -0.202 0.000 0.939 458 N CB 1.308 39.642 38.487 -0.255 0.000 1.127 458 N HN -0.166 nan 8.380 nan 0.000 0.509 459 V N 1.759 121.775 119.914 0.170 0.000 2.568 459 V HA -0.095 4.026 4.120 0.000 0.000 0.253 459 V C 1.366 177.614 176.094 0.257 0.000 1.072 459 V CA 1.325 63.818 62.300 0.321 0.000 1.084 459 V CB -0.442 31.515 31.823 0.223 0.000 0.676 459 V HN 0.437 nan 8.190 nan 0.000 0.469 460 K N 0.426 120.915 120.400 0.147 0.000 2.404 460 K HA 0.197 4.517 4.320 0.000 0.000 0.194 460 K C 0.896 177.576 176.600 0.134 0.000 1.023 460 K CA 0.010 56.367 56.287 0.117 0.000 1.094 460 K CB -0.001 32.528 32.500 0.047 0.000 0.841 460 K HN 0.655 nan 8.250 nan 0.000 0.523 461 Q N 2.121 122.022 119.800 0.169 0.000 2.313 461 Q HA 0.022 4.362 4.340 0.000 0.000 0.266 461 Q C -0.277 175.885 176.000 0.270 0.000 0.989 461 Q CA 0.224 56.146 55.803 0.199 0.000 0.890 461 Q CB 0.743 29.639 28.738 0.264 0.000 1.200 461 Q HN 0.243 nan 8.270 nan 0.000 0.396 462 T N 1.277 115.959 114.554 0.213 0.000 2.949 462 T HA 0.621 4.971 4.350 0.000 0.000 0.287 462 T C -0.068 174.753 174.700 0.202 0.000 1.034 462 T CA -1.008 61.236 62.100 0.240 0.000 1.018 462 T CB 1.050 70.038 68.868 0.200 0.000 1.135 462 T HN 0.531 nan 8.240 nan 0.000 0.532 463 N N 0.457 119.315 118.700 0.263 0.000 2.478 463 N HA 0.736 5.476 4.740 0.000 0.000 0.275 463 N C -0.343 175.101 175.510 -0.110 0.000 1.221 463 N CA -0.557 52.599 53.050 0.177 0.000 0.979 463 N CB 1.551 40.255 38.487 0.363 0.000 1.202 463 N HN 0.987 nan 8.380 nan 0.000 0.564 464 S N -2.399 112.930 115.700 -0.619 0.000 2.643 464 S HA 0.597 5.068 4.470 0.000 0.000 0.270 464 S C 0.375 174.026 174.600 -1.581 0.000 1.166 464 S CA -0.262 57.118 58.200 -1.367 0.000 0.815 464 S CB 0.701 63.537 63.200 -0.606 0.000 1.139 464 S HN 0.474 nan 8.310 nan 0.000 0.472 465 A N 0.536 122.365 122.820 -1.650 0.000 2.019 465 A HA -0.040 4.280 4.320 0.000 0.000 0.219 465 A C 2.003 179.334 177.584 -0.422 0.000 1.164 465 A CA 1.661 53.127 52.037 -0.952 0.000 0.644 465 A CB -0.840 17.857 19.000 -0.506 0.000 0.805 465 A HN 0.779 nan 8.150 nan 0.000 0.449 466 Q N -0.545 119.031 119.800 -0.373 0.000 2.259 466 Q HA 0.101 4.441 4.340 0.000 0.000 0.201 466 Q C 0.311 176.220 176.000 -0.153 0.000 0.938 466 Q CA 0.973 56.653 55.803 -0.204 0.000 0.872 466 Q CB 0.156 28.792 28.738 -0.169 0.000 0.971 466 Q HN 0.707 nan 8.270 nan 0.000 0.494 467 S N -0.658 114.939 115.700 -0.173 0.000 2.550 467 S HA 0.518 4.989 4.470 0.000 0.000 0.270 467 S C -0.818 173.734 174.600 -0.080 0.000 1.145 467 S CA -0.880 57.261 58.200 -0.099 0.000 0.852 467 S CB 2.087 65.246 63.200 -0.069 0.000 1.119 467 S HN -0.053 nan 8.310 nan 0.000 0.465 468 S N 2.277 117.963 115.700 -0.024 0.000 2.252 468 S HA 0.401 4.872 4.470 0.000 0.000 0.187 468 S C -2.257 172.334 174.600 -0.015 0.000 1.587 468 S CA -1.007 57.210 58.200 0.028 0.000 1.215 468 S CB 0.860 64.117 63.200 0.094 0.000 1.085 468 S HN 0.608 nan 8.310 nan 0.000 0.466 469 P HA -0.025 nan 4.420 nan 0.000 0.222 469 P C 0.010 177.119 177.300 -0.319 0.000 1.147 469 P CA 0.724 63.728 63.100 -0.159 0.000 0.790 469 P CB 0.145 31.800 31.700 -0.075 0.000 0.780 470 V N 1.484 121.314 119.914 -0.141 0.000 2.259 470 V HA 0.244 4.364 4.120 0.000 0.000 0.267 470 V C 0.190 176.234 176.094 -0.083 0.000 1.051 470 V CA -0.504 61.731 62.300 -0.109 0.000 0.830 470 V CB 0.786 32.700 31.823 0.151 0.000 1.080 470 V HN -0.118 nan 8.190 nan 0.000 0.467 471 V N 3.292 123.058 119.914 -0.247 0.000 3.078 471 V HA 0.803 4.923 4.120 0.000 0.000 0.311 471 V C -2.890 172.986 176.094 -0.363 0.000 1.138 471 V CA -2.724 59.287 62.300 -0.481 0.000 1.007 471 V CB 2.282 33.914 31.823 -0.318 0.000 1.045 471 V HN 0.483 nan 8.190 nan 0.000 0.432 472 P HA 0.381 nan 4.420 nan 0.000 0.272 472 P C -0.923 176.352 177.300 -0.042 0.000 1.230 472 P CA 0.177 63.210 63.100 -0.111 0.000 0.788 472 P CB 0.117 31.885 31.700 0.113 0.000 0.949 473 H N -1.035 118.013 119.070 -0.036 0.000 2.949 473 H HA 0.585 5.141 4.556 0.000 0.000 0.356 473 H C -0.441 174.851 175.328 -0.059 0.000 1.212 473 H CA -1.149 54.872 56.048 -0.045 0.000 1.136 473 H CB 1.558 31.289 29.762 -0.052 0.000 1.869 473 H HN 0.169 nan 8.280 nan 0.000 0.556 474 R N 0.249 120.841 120.500 0.153 0.000 2.652 474 R HA 0.164 4.504 4.340 0.000 0.000 0.372 474 R C -0.200 176.087 176.300 -0.021 0.000 1.104 474 R CA -0.254 55.876 56.100 0.049 0.000 1.072 474 R CB 0.196 30.504 30.300 0.013 0.000 1.367 474 R HN 0.522 nan 8.270 nan 0.000 0.577 475 N N 0.484 119.099 118.700 -0.141 0.000 2.322 475 N HA 0.029 4.770 4.740 0.000 0.000 0.216 475 N C 0.320 175.811 175.510 -0.031 0.000 1.144 475 N CA 0.125 53.051 53.050 -0.207 0.000 0.830 475 N CB 0.995 39.211 38.487 -0.450 0.000 1.034 475 N HN 0.222 nan 8.380 nan 0.000 0.484 476 G N 0.916 109.776 108.800 0.099 0.000 2.441 476 G HA2 0.049 4.009 3.960 0.000 0.000 0.243 476 G HA3 0.049 4.009 3.960 0.000 0.000 0.243 476 G C 0.574 175.678 174.900 0.341 0.000 1.281 476 G CA -0.302 45.106 45.100 0.514 0.000 0.854 476 G HN 0.185 nan 8.290 nan 0.000 0.560 477 D N 0.403 120.907 120.400 0.173 0.000 2.368 477 D HA 0.242 4.883 4.640 0.000 0.000 0.218 477 D C 1.281 177.512 176.300 -0.115 0.000 1.112 477 D CA -0.036 53.960 54.000 -0.007 0.000 0.834 477 D CB -0.069 40.723 40.800 -0.012 0.000 0.953 477 D HN 0.486 nan 8.370 nan 0.000 0.505 478 A N 1.215 123.878 122.820 -0.263 0.000 2.584 478 A HA 0.266 4.586 4.320 0.000 0.000 0.239 478 A C 0.464 177.971 177.584 -0.129 0.000 1.043 478 A CA 0.225 52.099 52.037 -0.271 0.000 0.756 478 A CB -0.041 18.745 19.000 -0.356 0.000 0.963 478 A HN 0.505 nan 8.150 nan 0.000 0.511 479 Q N 2.353 122.089 119.800 -0.106 0.000 2.315 479 Q HA 0.564 4.904 4.340 0.000 0.000 0.273 479 Q C -1.797 174.170 176.000 -0.055 0.000 1.053 479 Q CA -1.026 54.737 55.803 -0.066 0.000 0.817 479 Q CB 1.353 30.060 28.738 -0.051 0.000 1.326 479 Q HN 0.508 nan 8.270 nan 0.000 0.423 480 L N 2.816 124.016 121.223 -0.037 0.000 2.305 480 L HA 0.590 4.930 4.340 0.000 0.000 0.281 480 L C -0.786 176.075 176.870 -0.016 0.000 1.085 480 L CA 0.780 55.608 54.840 -0.021 0.000 0.813 480 L CB 1.172 43.230 42.059 -0.002 0.000 1.157 480 L HN 0.920 nan 8.230 nan 0.000 0.436 481 S N 3.125 118.817 115.700 -0.013 0.000 2.603 481 S HA 0.397 4.867 4.470 0.000 0.000 0.274 481 S C -0.478 174.119 174.600 -0.006 0.000 1.168 481 S CA -0.495 57.700 58.200 -0.009 0.000 0.963 481 S CB 0.820 64.012 63.200 -0.013 0.000 1.078 481 S HN 0.711 nan 8.310 nan 0.000 0.477 482 D N 3.204 123.603 120.400 -0.001 0.000 2.718 482 D HA -0.185 4.455 4.640 0.000 0.000 0.242 482 D C 0.384 176.685 176.300 0.002 0.000 1.123 482 D CA 1.448 55.448 54.000 0.000 0.000 0.690 482 D CB -1.098 39.699 40.800 -0.004 0.000 1.059 482 D HN 0.952 nan 8.370 nan 0.000 0.429 483 R N -2.317 118.189 120.500 0.009 0.000 3.770 483 R HA -0.291 4.049 4.340 0.000 0.000 0.305 483 R C 0.073 176.377 176.300 0.007 0.000 1.184 483 R CA 1.520 57.628 56.100 0.014 0.000 0.823 483 R CB -2.480 27.825 30.300 0.008 0.000 1.285 483 R HN 0.628 nan 8.270 nan 0.000 0.499 484 K N -0.107 120.293 120.400 -0.001 0.000 2.535 484 K HA 0.448 4.768 4.320 0.000 0.000 0.251 484 K C -0.942 175.644 176.600 -0.023 0.000 0.942 484 K CA -0.797 55.483 56.287 -0.011 0.000 0.798 484 K CB 2.450 34.941 32.500 -0.015 0.000 1.267 484 K HN -0.012 nan 8.250 nan 0.000 0.434 485 V N 3.461 123.354 119.914 -0.035 0.000 2.383 485 V HA 0.342 4.462 4.120 0.000 0.000 0.275 485 V C -0.555 175.497 176.094 -0.069 0.000 1.036 485 V CA -0.444 61.821 62.300 -0.058 0.000 0.889 485 V CB 1.352 33.130 31.823 -0.076 0.000 0.985 485 V HN 0.847 nan 8.190 nan 0.000 0.459 486 S N 4.067 119.721 115.700 -0.076 0.000 2.437 486 S HA 0.848 5.319 4.470 0.000 0.000 0.305 486 S C -0.085 174.441 174.600 -0.123 0.000 1.109 486 S CA -0.440 57.712 58.200 -0.080 0.000 1.099 486 S CB 1.581 64.746 63.200 -0.058 0.000 1.004 486 S HN 1.028 nan 8.310 nan 0.000 0.475 487 A N 2.533 125.270 122.820 -0.140 0.000 2.455 487 A HA 0.718 5.038 4.320 0.000 0.000 0.300 487 A C -0.397 177.107 177.584 -0.133 0.000 1.040 487 A CA -0.771 51.134 52.037 -0.219 0.000 0.697 487 A CB 1.173 19.944 19.000 -0.381 0.000 1.265 487 A HN 0.543 nan 8.150 nan 0.000 0.407 488 T N 3.205 117.698 114.554 -0.101 0.000 2.728 488 T HA 0.468 4.818 4.350 0.000 0.000 0.296 488 T C -0.158 174.569 174.700 0.044 0.000 0.940 488 T CA 0.122 62.211 62.100 -0.019 0.000 1.013 488 T CB -0.302 68.569 68.868 0.004 0.000 0.912 488 T HN 0.413 nan 8.240 nan 0.000 0.484 489 L N 6.334 127.590 121.223 0.054 0.000 2.255 489 L HA 0.378 4.718 4.340 0.000 0.000 0.289 489 L C -2.254 174.675 176.870 0.099 0.000 1.046 489 L CA -2.415 52.490 54.840 0.109 0.000 0.816 489 L CB 0.456 42.571 42.059 0.092 0.000 1.197 489 L HN 0.267 nan 8.230 nan 0.000 0.427 490 P HA 0.015 nan 4.420 nan 0.000 0.270 490 P C -0.884 176.482 177.300 0.110 0.000 1.223 490 P CA -0.579 62.585 63.100 0.106 0.000 0.785 490 P CB 0.350 32.124 31.700 0.124 0.000 0.923 491 K N 2.551 123.002 120.400 0.085 0.000 2.561 491 K HA 0.000 4.320 4.320 0.000 0.000 0.280 491 K C -0.156 176.545 176.600 0.168 0.000 0.975 491 K CA -0.034 56.308 56.287 0.091 0.000 1.024 491 K CB -0.714 31.821 32.500 0.057 0.000 0.883 491 K HN 0.348 nan 8.250 nan 0.000 0.496 492 L N 0.994 122.331 121.223 0.190 0.000 3.895 492 L HA -0.288 4.052 4.340 0.000 0.000 0.511 492 L C -0.553 176.561 176.870 0.407 0.000 1.222 492 L CA 0.832 55.835 54.840 0.272 0.000 0.739 492 L CB -2.135 40.116 42.059 0.321 0.000 1.425 492 L HN 0.964 nan 8.230 nan 0.000 0.817 493 S N -0.355 115.540 115.700 0.325 0.000 2.548 493 S HA 0.683 5.153 4.470 0.000 0.000 0.286 493 S C -0.890 173.938 174.600 0.380 0.000 1.098 493 S CA -0.873 57.550 58.200 0.371 0.000 0.930 493 S CB 2.617 65.960 63.200 0.237 0.000 1.070 493 S HN 0.429 nan 8.310 nan 0.000 0.480 494 W N 3.450 124.878 121.300 0.214 0.000 2.429 494 W HA 0.494 5.154 4.660 0.000 0.000 0.314 494 W C -1.644 174.954 176.519 0.131 0.000 1.062 494 W CA -0.565 56.889 57.345 0.182 0.000 1.211 494 W CB 1.147 30.741 29.460 0.223 0.000 1.305 494 W HN 0.750 nan 8.180 nan 0.000 0.476 495 N N 4.699 123.140 118.700 -0.432 0.000 2.258 495 N HA 0.382 5.122 4.740 0.000 0.000 0.299 495 N C -1.565 173.527 175.510 -0.696 0.000 1.047 495 N CA -0.590 52.196 53.050 -0.439 0.000 0.814 495 N CB 2.798 41.242 38.487 -0.072 0.000 1.413 495 N HN 0.134 nan 8.380 nan 0.000 0.478 496 V N 3.184 122.737 119.914 -0.603 0.000 2.349 496 V HA 0.433 4.553 4.120 0.000 0.000 0.284 496 V C 0.098 175.964 176.094 -0.381 0.000 1.014 496 V CA -0.634 61.320 62.300 -0.577 0.000 0.826 496 V CB 0.957 32.441 31.823 -0.564 0.000 1.009 496 V HN 0.542 nan 8.190 nan 0.000 0.431 497 I N 5.400 125.792 120.570 -0.297 0.000 2.304 497 I HA 0.476 4.647 4.170 0.000 0.000 0.291 497 I C 0.398 176.341 176.117 -0.289 0.000 1.018 497 I CA -0.254 60.941 61.300 -0.175 0.000 1.260 497 I CB 0.767 38.687 38.000 -0.133 0.000 1.390 497 I HN 0.457 nan 8.210 nan 0.000 0.475 498 R N 7.170 127.512 120.500 -0.263 0.000 2.338 498 R HA 0.710 5.050 4.340 0.000 0.000 0.317 498 R C -1.090 175.121 176.300 -0.149 0.000 0.968 498 R CA -0.694 55.249 56.100 -0.262 0.000 0.849 498 R CB 1.659 31.753 30.300 -0.343 0.000 1.128 498 R HN 0.532 nan 8.270 nan 0.000 0.448 499 L N 1.371 122.536 121.223 -0.097 0.000 2.342 499 L HA 0.830 5.170 4.340 0.000 0.000 0.271 499 L C 0.433 177.349 176.870 0.078 0.000 1.008 499 L CA -0.919 53.924 54.840 0.005 0.000 0.818 499 L CB 2.247 44.324 42.059 0.031 0.000 1.296 499 L HN 0.766 nan 8.230 nan 0.000 0.427 500 G N 0.482 109.274 108.800 -0.014 0.000 2.649 500 G HA2 0.607 4.567 3.960 0.000 0.000 0.290 500 G HA3 0.607 4.567 3.960 0.000 0.000 0.290 500 G C -1.534 172.979 174.900 -0.645 0.000 1.426 500 G CA -0.407 44.517 45.100 -0.294 0.000 0.794 500 G HN 0.557 nan 8.290 nan 0.000 0.483 501 K N 0.000 119.934 120.400 -0.776 0.000 2.780 501 K HA 0.000 4.320 4.320 0.000 0.000 0.191 501 K CA 0.000 55.965 56.287 -0.537 0.000 0.838 501 K CB 0.000 32.334 32.500 -0.278 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543