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 1qw8_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 0.000 176.611 176.600 0.019 0.000 0.988 5 K CA 0.000 56.290 56.287 0.004 0.000 0.838 5 K CB 0.000 32.503 32.500 0.004 0.000 1.064 6 A N 1.284 124.113 122.820 0.015 0.000 2.475 6 A HA 0.810 5.130 4.320 0.000 0.000 0.301 6 A C -0.851 176.734 177.584 0.002 0.000 1.059 6 A CA -0.485 51.564 52.037 0.020 0.000 0.710 6 A CB 1.574 20.595 19.000 0.035 0.000 1.288 6 A HN 0.656 nan 8.150 nan 0.000 0.408 7 T N -1.051 113.502 114.554 -0.003 0.000 2.930 7 T HA 0.795 5.145 4.350 0.000 0.000 0.290 7 T C -0.404 174.281 174.700 -0.025 0.000 1.052 7 T CA -0.615 61.475 62.100 -0.016 0.000 1.017 7 T CB 1.568 70.426 68.868 -0.016 0.000 1.137 7 T HN 1.182 nan 8.240 nan 0.000 0.511 8 M N 2.353 121.933 119.600 -0.034 0.000 2.274 8 M HA 0.460 4.940 4.480 0.000 0.000 0.272 8 M C -2.097 174.176 176.300 -0.044 0.000 1.053 8 M CA -0.688 54.586 55.300 -0.044 0.000 0.978 8 M CB 1.375 33.947 32.600 -0.046 0.000 1.836 8 M HN 0.699 nan 8.290 nan 0.000 0.484 9 I N 5.497 126.036 120.570 -0.051 0.000 2.428 9 I HA 0.338 4.508 4.170 0.000 0.000 0.289 9 I C -0.388 175.719 176.117 -0.017 0.000 1.019 9 I CA -0.456 60.820 61.300 -0.040 0.000 1.351 9 I CB 1.173 39.134 38.000 -0.064 0.000 1.412 9 I HN 0.657 nan 8.210 nan 0.000 0.513 10 I N 5.407 125.988 120.570 0.018 0.000 2.503 10 I HA 0.172 4.342 4.170 0.000 0.000 0.277 10 I C -0.296 175.903 176.117 0.137 0.000 1.078 10 I CA -0.372 60.974 61.300 0.077 0.000 1.184 10 I CB 0.873 38.900 38.000 0.046 0.000 1.353 10 I HN 0.517 nan 8.210 nan 0.000 0.490 11 E N 5.523 125.789 120.200 0.110 0.000 2.081 11 E HA 0.129 4.479 4.350 0.000 0.000 0.281 11 E C 1.030 177.668 176.600 0.063 0.000 0.986 11 E CA -0.244 56.203 56.400 0.078 0.000 0.796 11 E CB 1.125 30.940 29.700 0.192 0.000 1.085 11 E HN 0.398 nan 8.360 nan 0.000 0.398 12 K N 3.424 123.674 120.400 -0.250 0.000 2.107 12 K HA -0.222 4.098 4.320 0.000 0.000 0.211 12 K C 0.167 176.706 176.600 -0.101 0.000 1.049 12 K CA 1.997 58.069 56.287 -0.359 0.000 0.927 12 K CB 0.165 32.092 32.500 -0.955 0.000 0.714 12 K HN 0.470 nan 8.250 nan 0.000 0.452 13 D N -0.785 119.559 120.400 -0.093 0.000 2.340 13 D HA 0.014 4.654 4.640 0.000 0.000 0.220 13 D C -0.518 175.634 176.300 -0.247 0.000 1.039 13 D CA 0.458 54.370 54.000 -0.148 0.000 0.866 13 D CB 0.107 40.780 40.800 -0.211 0.000 0.913 13 D HN 0.090 nan 8.370 nan 0.000 0.523 14 F N 1.647 121.605 119.950 0.014 0.000 2.291 14 F HA 0.287 4.815 4.527 0.000 0.000 0.368 14 F C 0.543 176.401 175.800 0.096 0.000 1.085 14 F CA -0.651 57.380 58.000 0.052 0.000 1.165 14 F CB 0.764 39.814 39.000 0.083 0.000 1.429 14 F HN -0.533 nan 8.300 nan 0.000 0.503 15 K N 3.674 124.167 120.400 0.155 0.000 2.207 15 K HA 0.515 4.835 4.320 0.000 0.000 0.255 15 K C 0.557 177.231 176.600 0.124 0.000 0.941 15 K CA -0.712 55.664 56.287 0.148 0.000 0.825 15 K CB 2.646 35.204 32.500 0.097 0.000 1.119 15 K HN 0.450 nan 8.250 nan 0.000 0.430 16 I N 1.048 121.699 120.570 0.135 0.000 2.260 16 I HA -0.005 4.165 4.170 0.000 0.000 0.237 16 I C 0.643 176.791 176.117 0.051 0.000 1.075 16 I CA 0.693 62.045 61.300 0.087 0.000 1.376 16 I CB 0.200 38.260 38.000 0.100 0.000 1.107 16 I HN 0.718 nan 8.210 nan 0.000 0.420 17 A N 0.014 122.870 122.820 0.059 0.000 2.549 17 A HA 0.369 4.689 4.320 0.000 0.000 0.291 17 A C -1.142 176.469 177.584 0.046 0.000 1.034 17 A CA -0.653 51.407 52.037 0.038 0.000 0.655 17 A CB 0.484 19.489 19.000 0.009 0.000 1.299 17 A HN 0.117 nan 8.150 nan 0.000 0.427 18 E N 0.711 120.931 120.200 0.033 0.000 2.417 18 E HA 0.313 4.663 4.350 0.000 0.000 0.261 18 E C -0.482 176.128 176.600 0.016 0.000 1.000 18 E CA 0.292 56.710 56.400 0.030 0.000 0.919 18 E CB 0.010 29.722 29.700 0.020 0.000 0.955 18 E HN 0.389 nan 8.360 nan 0.000 0.455 19 I N 4.381 124.969 120.570 0.031 0.000 2.533 19 I HA 0.000 4.171 4.170 0.000 0.000 0.284 19 I C 0.630 176.743 176.117 -0.006 0.000 1.109 19 I CA 0.017 61.321 61.300 0.007 0.000 1.412 19 I CB 0.506 38.535 38.000 0.049 0.000 1.396 19 I HN 0.538 nan 8.210 nan 0.000 0.543 20 D N 7.219 127.590 120.400 -0.048 0.000 2.348 20 D HA -0.012 4.629 4.640 0.000 0.000 0.253 20 D C 1.155 177.417 176.300 -0.063 0.000 1.161 20 D CA -0.178 53.797 54.000 -0.041 0.000 0.876 20 D CB 1.129 41.897 40.800 -0.055 0.000 1.160 20 D HN 0.570 nan 8.370 nan 0.000 0.459 21 K N 3.593 123.997 120.400 0.007 0.000 2.280 21 K HA -0.141 4.179 4.320 0.000 0.000 0.202 21 K C 1.314 177.924 176.600 0.016 0.000 1.047 21 K CA 0.739 57.071 56.287 0.076 0.000 0.942 21 K CB 0.043 32.607 32.500 0.107 0.000 0.739 21 K HN 0.298 nan 8.250 nan 0.000 0.457 22 R N 1.320 121.800 120.500 -0.033 0.000 2.341 22 R HA -0.019 4.321 4.340 0.000 0.000 0.213 22 R C 2.247 178.491 176.300 -0.093 0.000 1.082 22 R CA 1.154 57.231 56.100 -0.039 0.000 1.017 22 R CB -0.629 29.640 30.300 -0.052 0.000 0.860 22 R HN 0.529 nan 8.270 nan 0.000 0.473 23 I N -2.960 117.459 120.570 -0.252 0.000 3.176 23 I HA -0.134 4.036 4.170 0.000 0.000 0.275 23 I C 0.295 176.171 176.117 -0.401 0.000 1.298 23 I CA 1.059 62.145 61.300 -0.357 0.000 1.445 23 I CB -0.048 37.648 38.000 -0.508 0.000 1.075 23 I HN -0.052 nan 8.210 nan 0.000 0.482 24 Y N 2.408 122.728 120.300 0.034 0.000 2.683 24 Y HA 0.549 5.099 4.550 0.000 0.000 0.297 24 Y C 1.490 177.541 175.900 0.252 0.000 1.147 24 Y CA -0.847 57.277 58.100 0.039 0.000 1.274 24 Y CB -0.570 37.776 38.460 -0.191 0.000 1.143 24 Y HN 0.114 nan 8.280 nan 0.000 0.527 25 G N -0.513 108.462 108.800 0.292 0.000 2.588 25 G HA2 0.441 4.402 3.960 0.000 0.000 0.281 25 G HA3 0.441 4.402 3.960 0.000 0.000 0.281 25 G C -0.124 174.914 174.900 0.230 0.000 1.236 25 G CA -0.018 45.220 45.100 0.230 0.000 0.969 25 G HN 0.254 nan 8.290 nan 0.000 0.504 26 S N -2.038 113.739 115.700 0.128 0.000 3.121 26 S HA 0.773 5.243 4.470 0.000 0.000 0.324 26 S C -2.154 172.547 174.600 0.167 0.000 1.192 26 S CA -0.481 57.745 58.200 0.043 0.000 0.937 26 S CB 1.277 64.428 63.200 -0.082 0.000 1.336 26 S HN 1.032 nan 8.310 nan 0.000 0.664 27 F N 1.371 121.274 119.950 -0.077 0.000 2.639 27 F HA 0.620 5.147 4.527 0.000 0.000 0.326 27 F C -2.226 173.518 175.800 -0.094 0.000 1.150 27 F CA -1.076 56.884 58.000 -0.067 0.000 1.057 27 F CB 0.587 39.519 39.000 -0.114 0.000 1.300 27 F HN 0.477 nan 8.300 nan 0.000 0.486 28 I N 5.059 125.604 120.570 -0.042 0.000 2.447 28 I HA 0.354 4.525 4.170 0.000 0.000 0.287 28 I C -0.629 175.239 176.117 -0.414 0.000 1.023 28 I CA -0.585 60.498 61.300 -0.362 0.000 1.083 28 I CB 2.119 40.025 38.000 -0.157 0.000 1.245 28 I HN 0.620 nan 8.210 nan 0.000 0.434 29 E N 4.804 124.581 120.200 -0.705 0.000 2.222 29 E HA 0.287 4.637 4.350 0.000 0.000 0.272 29 E C -0.464 175.817 176.600 -0.531 0.000 0.982 29 E CA -0.680 55.413 56.400 -0.512 0.000 0.842 29 E CB 0.966 30.354 29.700 -0.521 0.000 1.144 29 E HN 0.527 nan 8.360 nan 0.000 0.397 30 H N 3.915 122.507 119.070 -0.797 0.000 3.356 30 H HA 0.155 4.711 4.556 0.000 0.000 0.260 30 H C -0.585 174.358 175.328 -0.641 0.000 1.570 30 H CA 0.179 55.679 56.048 -0.913 0.000 1.547 30 H CB -0.230 28.483 29.762 -1.748 0.000 1.774 30 H HN 0.228 nan 8.280 nan 0.000 0.542 31 L N 1.743 122.682 121.223 -0.473 0.000 2.505 31 L HA 0.371 4.711 4.340 0.000 0.000 0.266 31 L C 0.726 177.310 176.870 -0.476 0.000 0.954 31 L CA -0.171 54.320 54.840 -0.582 0.000 0.852 31 L CB 1.365 42.882 42.059 -0.903 0.000 1.282 31 L HN 0.734 nan 8.230 nan 0.000 0.403 32 G N 4.400 112.987 108.800 -0.355 0.000 2.672 32 G HA2 -0.365 3.596 3.960 0.000 0.000 0.324 32 G HA3 -0.365 3.596 3.960 0.000 0.000 0.324 32 G C 0.498 175.289 174.900 -0.182 0.000 1.286 32 G CA 0.727 45.675 45.100 -0.253 0.000 1.004 32 G HN 0.745 nan 8.290 nan 0.000 0.548 33 R N 1.190 121.563 120.500 -0.211 0.000 2.466 33 R HA 0.503 4.843 4.340 0.000 0.000 0.279 33 R C 2.429 178.575 176.300 -0.256 0.000 0.976 33 R CA 0.669 56.667 56.100 -0.170 0.000 1.081 33 R CB 0.145 30.364 30.300 -0.135 0.000 1.215 33 R HN 0.551 nan 8.270 nan 0.000 0.546 34 A N 0.738 123.348 122.820 -0.350 0.000 1.877 34 A HA -0.111 4.209 4.320 0.000 0.000 0.216 34 A C 2.012 179.328 177.584 -0.447 0.000 1.186 34 A CA 1.468 53.255 52.037 -0.416 0.000 0.620 34 A CB -0.161 18.543 19.000 -0.493 0.000 0.822 34 A HN 0.103 nan 8.150 nan 0.000 0.443 35 V N -1.937 117.661 119.914 -0.526 0.000 2.326 35 V HA -0.034 4.086 4.120 0.000 0.000 0.237 35 V C 0.662 176.469 176.094 -0.480 0.000 1.044 35 V CA 0.574 62.475 62.300 -0.664 0.000 1.035 35 V CB -0.974 30.189 31.823 -1.099 0.000 0.675 35 V HN 0.517 nan 8.190 nan 0.000 0.470 36 Y N 1.519 121.744 120.300 -0.125 0.000 2.624 36 Y HA 0.525 5.076 4.550 0.000 0.000 0.354 36 Y C 1.236 177.096 175.900 -0.067 0.000 1.051 36 Y CA 0.271 58.363 58.100 -0.014 0.000 1.377 36 Y CB -0.013 38.445 38.460 -0.004 0.000 1.168 36 Y HN 0.415 nan 8.280 nan 0.000 0.525 37 G N 1.354 110.178 108.800 0.039 0.000 2.176 37 G HA2 -0.219 3.741 3.960 0.000 0.000 0.232 37 G HA3 -0.219 3.741 3.960 0.000 0.000 0.232 37 G C 0.758 175.596 174.900 -0.103 0.000 0.986 37 G CA 0.067 45.149 45.100 -0.030 0.000 0.643 37 G HN 1.017 nan 8.290 nan 0.000 0.522 38 G N 0.618 109.324 108.800 -0.156 0.000 2.508 38 G HA2 0.499 4.459 3.960 0.000 0.000 0.217 38 G HA3 0.499 4.459 3.960 0.000 0.000 0.217 38 G C 1.679 176.444 174.900 -0.225 0.000 2.004 38 G CA 0.552 45.520 45.100 -0.220 0.000 0.750 38 G HN 1.037 nan 8.290 nan 0.000 0.730 39 I N -2.477 117.887 120.570 -0.342 0.000 2.493 39 I HA 0.260 4.430 4.170 0.000 0.000 0.254 39 I C 0.583 176.681 176.117 -0.032 0.000 1.160 39 I CA 0.700 61.749 61.300 -0.419 0.000 1.445 39 I CB 0.096 37.341 38.000 -1.257 0.000 1.086 39 I HN 0.076 nan 8.210 nan 0.000 0.433 40 Y N 2.151 122.366 120.300 -0.141 0.000 2.326 40 Y HA 0.544 5.095 4.550 0.000 0.000 0.329 40 Y C -0.888 174.999 175.900 -0.022 0.000 0.973 40 Y CA -1.286 56.812 58.100 -0.004 0.000 1.162 40 Y CB 1.027 39.465 38.460 -0.037 0.000 1.147 40 Y HN 0.193 nan 8.280 nan 0.000 0.456 41 E N 8.708 128.672 120.200 -0.394 0.000 2.759 41 E HA 0.343 4.693 4.350 0.000 0.000 0.318 41 E C -2.974 173.423 176.600 -0.338 0.000 1.093 41 E CA -2.207 53.996 56.400 -0.328 0.000 0.762 41 E CB 1.230 30.859 29.700 -0.119 0.000 1.543 41 E HN 0.366 nan 8.360 nan 0.000 0.381 42 P HA 0.132 nan 4.420 nan 0.000 0.267 42 P C 0.787 178.008 177.300 -0.130 0.000 1.200 42 P CA 1.263 64.182 63.100 -0.303 0.000 0.772 42 P CB 0.937 32.461 31.700 -0.294 0.000 0.855 43 G N 0.496 109.254 108.800 -0.071 0.000 2.320 43 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 43 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 43 G C 0.459 175.350 174.900 -0.015 0.000 1.033 43 G CA 0.057 45.133 45.100 -0.039 0.000 0.620 43 G HN 0.811 nan 8.290 nan 0.000 0.517 44 H N 2.946 121.972 119.070 -0.075 0.000 2.972 44 H HA 0.156 4.712 4.556 0.000 0.000 0.343 44 H C -0.797 174.513 175.328 -0.030 0.000 1.054 44 H CA 0.052 56.072 56.048 -0.047 0.000 1.412 44 H CB 1.149 30.883 29.762 -0.047 0.000 1.385 44 H HN 0.124 nan 8.280 nan 0.000 0.600 45 P HA -0.136 nan 4.420 nan 0.000 0.216 45 P C 0.785 178.144 177.300 0.099 0.000 1.150 45 P CA 1.461 64.500 63.100 -0.101 0.000 0.843 45 P CB 0.240 31.818 31.700 -0.203 0.000 0.787 46 Q N -1.264 118.766 119.800 0.384 0.000 2.246 46 Q HA 0.284 4.624 4.340 0.000 0.000 0.202 46 Q C 0.351 176.455 176.000 0.174 0.000 0.883 46 Q CA -0.286 55.672 55.803 0.258 0.000 0.952 46 Q CB 0.260 29.144 28.738 0.242 0.000 1.078 46 Q HN 0.138 nan 8.270 nan 0.000 0.493 47 A N 2.421 125.343 122.820 0.170 0.000 2.401 47 A HA 0.193 4.513 4.320 0.000 0.000 0.259 47 A C 0.123 177.746 177.584 0.066 0.000 1.103 47 A CA -0.566 51.521 52.037 0.083 0.000 0.789 47 A CB 0.281 19.298 19.000 0.029 0.000 1.035 47 A HN 0.248 nan 8.150 nan 0.000 0.491 48 D N 0.988 121.436 120.400 0.081 0.000 2.440 48 D HA 0.061 4.701 4.640 0.000 0.000 0.269 48 D C 1.038 177.356 176.300 0.031 0.000 1.249 48 D CA 0.211 54.256 54.000 0.075 0.000 1.055 48 D CB 0.063 40.939 40.800 0.126 0.000 1.104 48 D HN 0.664 nan 8.370 nan 0.000 0.561 49 E N -0.814 119.407 120.200 0.036 0.000 2.268 49 E HA -0.195 4.156 4.350 0.000 0.000 0.195 49 E C 0.685 177.278 176.600 -0.013 0.000 0.995 49 E CA 1.007 57.416 56.400 0.015 0.000 0.836 49 E CB -0.669 29.048 29.700 0.028 0.000 0.763 49 E HN 0.474 nan 8.360 nan 0.000 0.491 50 N N -0.066 118.608 118.700 -0.044 0.000 2.280 50 N HA 0.165 4.906 4.740 0.000 0.000 0.192 50 N C 0.619 175.893 175.510 -0.393 0.000 1.109 50 N CA 0.320 53.260 53.050 -0.183 0.000 0.855 50 N CB 1.196 39.587 38.487 -0.161 0.000 0.974 50 N HN 0.348 nan 8.380 nan 0.000 0.482 51 G N 0.160 108.807 108.800 -0.255 0.000 2.175 51 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 51 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 51 G C -0.282 174.477 174.900 -0.236 0.000 0.982 51 G CA -0.458 44.469 45.100 -0.287 0.000 0.641 51 G HN 0.174 nan 8.290 nan 0.000 0.527 52 F N 1.817 121.857 119.950 0.149 0.000 2.410 52 F HA 0.539 5.067 4.527 0.000 0.000 0.348 52 F C 1.420 177.262 175.800 0.069 0.000 1.106 52 F CA -1.021 57.074 58.000 0.158 0.000 1.163 52 F CB 0.678 39.847 39.000 0.283 0.000 1.129 52 F HN -0.050 nan 8.300 nan 0.000 0.516 53 R N 2.211 122.828 120.500 0.195 0.000 2.446 53 R HA -0.040 4.300 4.340 0.000 0.000 0.314 53 R C 1.151 177.507 176.300 0.093 0.000 1.003 53 R CA -0.086 56.030 56.100 0.026 0.000 1.018 53 R CB 0.344 30.554 30.300 -0.150 0.000 0.945 53 R HN 0.605 nan 8.270 nan 0.000 0.419 54 Q N 2.662 122.508 119.800 0.077 0.000 2.167 54 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 54 Q C 1.141 177.166 176.000 0.042 0.000 0.970 54 Q CA 2.104 57.950 55.803 0.072 0.000 0.855 54 Q CB 0.121 28.900 28.738 0.068 0.000 0.911 54 Q HN 0.695 nan 8.270 nan 0.000 0.438 55 D N -1.111 119.301 120.400 0.019 0.000 2.117 55 D HA -0.137 4.504 4.640 0.000 0.000 0.198 55 D C 1.746 178.050 176.300 0.007 0.000 0.982 55 D CA 1.271 55.279 54.000 0.013 0.000 0.828 55 D CB -0.738 40.069 40.800 0.013 0.000 0.967 55 D HN 0.214 nan 8.370 nan 0.000 0.464 56 V N 1.032 120.947 119.914 0.002 0.000 2.343 56 V HA -0.202 3.919 4.120 0.000 0.000 0.247 56 V C 2.758 178.908 176.094 0.093 0.000 1.051 56 V CA 1.180 63.499 62.300 0.032 0.000 1.036 56 V CB -0.493 31.343 31.823 0.022 0.000 0.654 56 V HN 0.184 nan 8.190 nan 0.000 0.451 57 I N -0.163 120.469 120.570 0.104 0.000 2.118 57 I HA -0.252 3.919 4.170 0.000 0.000 0.241 57 I C 2.684 178.785 176.117 -0.026 0.000 1.070 57 I CA 1.544 62.850 61.300 0.011 0.000 1.327 57 I CB -0.432 37.549 38.000 -0.031 0.000 1.034 57 I HN 0.325 nan 8.210 nan 0.000 0.405 58 E N 0.614 120.815 120.200 0.001 0.000 2.110 58 E HA -0.178 4.172 4.350 0.000 0.000 0.193 58 E C 2.306 178.927 176.600 0.035 0.000 0.988 58 E CA 1.172 57.576 56.400 0.007 0.000 0.804 58 E CB -0.371 29.339 29.700 0.016 0.000 0.745 58 E HN 0.515 nan 8.360 nan 0.000 0.458 59 L N 0.216 121.470 121.223 0.051 0.000 2.093 59 L HA -0.131 4.209 4.340 0.000 0.000 0.208 59 L C 2.449 179.419 176.870 0.168 0.000 1.085 59 L CA 0.550 55.459 54.840 0.116 0.000 0.755 59 L CB -0.257 41.837 42.059 0.058 0.000 0.904 59 L HN -0.016 nan 8.230 nan 0.000 0.435 60 V N -0.297 119.665 119.914 0.081 0.000 2.358 60 V HA -0.256 3.864 4.120 0.000 0.000 0.246 60 V C 2.409 178.493 176.094 -0.018 0.000 1.047 60 V CA 1.612 63.931 62.300 0.032 0.000 1.035 60 V CB -0.464 31.375 31.823 0.027 0.000 0.658 60 V HN 0.380 nan 8.190 nan 0.000 0.452 61 K N 0.086 120.460 120.400 -0.043 0.000 2.063 61 K HA -0.249 4.072 4.320 0.000 0.000 0.208 61 K C 2.224 178.812 176.600 -0.019 0.000 1.048 61 K CA 1.854 58.106 56.287 -0.058 0.000 0.928 61 K CB -0.201 32.258 32.500 -0.068 0.000 0.713 61 K HN 0.549 nan 8.250 nan 0.000 0.442 62 E N 0.959 121.177 120.200 0.031 0.000 2.153 62 E HA -0.172 4.179 4.350 0.000 0.000 0.194 62 E C 1.677 178.283 176.600 0.010 0.000 0.988 62 E CA 0.742 57.178 56.400 0.059 0.000 0.811 62 E CB 0.056 29.850 29.700 0.156 0.000 0.746 62 E HN 0.267 nan 8.360 nan 0.000 0.466 63 L N 0.187 121.395 121.223 -0.024 0.000 2.376 63 L HA -0.041 4.299 4.340 0.000 0.000 0.219 63 L C 0.717 177.559 176.870 -0.047 0.000 1.133 63 L CA 0.541 55.334 54.840 -0.079 0.000 0.816 63 L CB -0.212 41.806 42.059 -0.067 0.000 0.933 63 L HN 0.207 nan 8.230 nan 0.000 0.449 64 Q N -0.251 119.524 119.800 -0.042 0.000 2.468 64 Q HA -0.172 4.168 4.340 0.000 0.000 0.289 64 Q C -0.355 175.644 176.000 -0.002 0.000 1.299 64 Q CA -0.091 55.682 55.803 -0.050 0.000 0.838 64 Q CB -1.814 26.869 28.738 -0.092 0.000 1.195 64 Q HN 0.220 nan 8.270 nan 0.000 0.456 65 V N 1.093 121.032 119.914 0.042 0.000 2.446 65 V HA 0.002 4.122 4.120 0.000 0.000 0.276 65 V C -1.108 175.015 176.094 0.047 0.000 1.030 65 V CA -0.353 62.012 62.300 0.107 0.000 1.033 65 V CB 0.769 32.657 31.823 0.108 0.000 0.993 65 V HN 0.256 nan 8.190 nan 0.000 0.477 66 P HA 0.207 nan 4.420 nan 0.000 0.227 66 P C 0.112 177.424 177.300 0.020 0.000 1.161 66 P CA 0.649 63.767 63.100 0.030 0.000 0.788 66 P CB 0.585 32.313 31.700 0.047 0.000 0.822 67 I N -1.008 119.590 120.570 0.047 0.000 2.692 67 I HA 0.381 4.551 4.170 0.000 0.000 0.293 67 I C -1.777 174.392 176.117 0.086 0.000 1.200 67 I CA -1.236 60.090 61.300 0.044 0.000 1.036 67 I CB 2.113 40.127 38.000 0.023 0.000 1.258 67 I HN -0.374 nan 8.210 nan 0.000 0.421 68 I N 6.650 127.293 120.570 0.122 0.000 2.478 68 I HA 0.455 4.625 4.170 0.000 0.000 0.287 68 I C -0.268 175.986 176.117 0.229 0.000 1.042 68 I CA -0.670 60.756 61.300 0.209 0.000 1.067 68 I CB 1.942 40.136 38.000 0.323 0.000 1.233 68 I HN 0.544 nan 8.210 nan 0.000 0.431 69 R N 5.178 125.798 120.500 0.201 0.000 2.490 69 R HA 0.415 4.755 4.340 0.000 0.000 0.280 69 R C -1.738 174.752 176.300 0.316 0.000 1.077 69 R CA 0.103 56.286 56.100 0.139 0.000 1.065 69 R CB 0.769 31.005 30.300 -0.106 0.000 1.003 69 R HN 0.618 nan 8.270 nan 0.000 0.470 70 Y N 4.665 124.968 120.300 0.004 0.000 2.573 70 Y HA 0.262 4.812 4.550 0.000 0.000 0.328 70 Y C -2.484 173.359 175.900 -0.094 0.000 1.170 70 Y CA -1.695 56.307 58.100 -0.163 0.000 1.078 70 Y CB 2.329 40.398 38.460 -0.652 0.000 1.341 70 Y HN 0.540 nan 8.280 nan 0.000 0.459 71 P HA 0.365 nan 4.420 nan 0.000 0.268 71 P C -0.125 177.039 177.300 -0.228 0.000 1.329 71 P CA 0.743 63.151 63.100 -1.153 0.000 0.899 71 P CB 1.033 31.940 31.700 -1.321 0.000 1.378 72 G N -1.790 107.067 108.800 0.094 0.000 2.451 72 G HA2 0.499 4.460 3.960 0.000 0.000 0.292 72 G HA3 0.499 4.460 3.960 0.000 0.000 0.292 72 G C -0.659 174.391 174.900 0.250 0.000 1.427 72 G CA 0.012 45.322 45.100 0.350 0.000 0.792 72 G HN 0.245 nan 8.290 nan 0.000 0.498 73 G N -0.293 108.679 108.800 0.286 0.000 2.758 73 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 73 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 73 G C 0.669 175.810 174.900 0.400 0.000 1.389 73 G CA 0.389 45.789 45.100 0.501 0.000 0.845 73 G HN 1.160 nan 8.290 nan 0.000 0.572 74 N N -0.500 118.465 118.700 0.442 0.000 2.132 74 N HA -0.155 4.586 4.740 0.000 0.000 0.191 74 N C 2.000 177.643 175.510 0.222 0.000 1.015 74 N CA 2.085 55.300 53.050 0.275 0.000 0.864 74 N CB -0.385 38.171 38.487 0.114 0.000 1.006 74 N HN 0.647 nan 8.380 nan 0.000 0.430 75 F N 1.302 121.379 119.950 0.213 0.000 2.126 75 F HA -0.154 4.374 4.527 0.000 0.000 0.299 75 F C 2.255 178.092 175.800 0.061 0.000 1.096 75 F CA 0.895 58.978 58.000 0.138 0.000 1.255 75 F CB -0.392 38.702 39.000 0.157 0.000 0.997 75 F HN -0.128 nan 8.300 nan 0.000 0.479 76 V N -0.535 119.439 119.914 0.100 0.000 2.626 76 V HA -0.219 3.901 4.120 0.000 0.000 0.252 76 V C 2.169 178.265 176.094 0.004 0.000 1.067 76 V CA 2.229 64.533 62.300 0.006 0.000 1.081 76 V CB -0.533 31.357 31.823 0.112 0.000 0.686 76 V HN 0.444 nan 8.190 nan 0.000 0.468 77 S N 0.108 115.815 115.700 0.012 0.000 2.515 77 S HA 0.021 4.491 4.470 0.000 0.000 0.231 77 S C 1.525 176.115 174.600 -0.016 0.000 0.987 77 S CA 0.962 59.172 58.200 0.018 0.000 0.936 77 S CB 0.155 63.370 63.200 0.024 0.000 0.766 77 S HN 0.747 nan 8.310 nan 0.000 0.528 78 G N -0.497 108.256 108.800 -0.077 0.000 3.596 78 G HA2 0.257 4.217 3.960 0.000 0.000 0.274 78 G HA3 0.257 4.217 3.960 0.000 0.000 0.274 78 G C -0.308 174.523 174.900 -0.116 0.000 1.007 78 G CA -0.260 44.789 45.100 -0.085 0.000 0.825 78 G HN 0.396 nan 8.290 nan 0.000 0.508 79 Y N 2.066 122.169 120.300 -0.327 0.000 2.342 79 Y HA 0.521 5.071 4.550 0.000 0.000 0.334 79 Y C -0.739 175.066 175.900 -0.158 0.000 1.067 79 Y CA -1.815 56.061 58.100 -0.373 0.000 1.128 79 Y CB 1.070 39.175 38.460 -0.592 0.000 1.200 79 Y HN -0.055 nan 8.280 nan 0.000 0.464 80 N N 7.271 125.592 118.700 -0.632 0.000 2.457 80 N HA 0.019 4.760 4.740 0.000 0.000 0.250 80 N C 0.901 175.824 175.510 -0.978 0.000 0.982 80 N CA -0.449 52.232 53.050 -0.615 0.000 0.941 80 N CB 0.576 38.806 38.487 -0.429 0.000 1.120 80 N HN 0.961 nan 8.380 nan 0.000 0.505 81 W N 2.731 123.629 121.300 -0.670 0.000 2.350 81 W HA -0.113 4.547 4.660 0.000 0.000 0.289 81 W C 0.229 176.558 176.519 -0.316 0.000 1.215 81 W CA 0.571 57.629 57.345 -0.479 0.000 1.236 81 W CB -0.431 28.953 29.460 -0.126 0.000 1.130 81 W HN 0.382 nan 8.180 nan 0.000 0.541 82 E N 1.101 120.715 120.200 -0.977 0.000 2.204 82 E HA -0.167 4.183 4.350 0.000 0.000 0.194 82 E C 1.534 177.925 176.600 -0.348 0.000 0.989 82 E CA 1.718 57.626 56.400 -0.820 0.000 0.824 82 E CB -0.475 28.691 29.700 -0.889 0.000 0.756 82 E HN 0.113 nan 8.360 nan 0.000 0.477 83 D N -0.467 119.732 120.400 -0.336 0.000 2.309 83 D HA -0.066 4.574 4.640 0.000 0.000 0.212 83 D C 1.543 177.829 176.300 -0.023 0.000 0.968 83 D CA 1.218 55.118 54.000 -0.165 0.000 0.882 83 D CB -0.156 40.542 40.800 -0.169 0.000 0.918 83 D HN 0.306 nan 8.370 nan 0.000 0.503 84 G N -0.006 108.810 108.800 0.027 0.000 3.324 84 G HA2 0.299 4.259 3.960 0.000 0.000 0.251 84 G HA3 0.299 4.259 3.960 0.000 0.000 0.251 84 G C 0.450 175.443 174.900 0.154 0.000 1.072 84 G CA 0.031 45.244 45.100 0.187 0.000 0.787 84 G HN 0.204 nan 8.290 nan 0.000 0.537 85 V N -3.133 116.821 119.914 0.068 0.000 3.019 85 V HA 0.988 5.109 4.120 0.000 0.000 0.317 85 V C 0.626 176.589 176.094 -0.218 0.000 1.094 85 V CA -0.307 62.002 62.300 0.014 0.000 1.000 85 V CB 1.051 32.971 31.823 0.162 0.000 1.060 85 V HN 1.331 nan 8.190 nan 0.000 0.443 86 G N 2.349 110.791 108.800 -0.597 0.000 2.725 86 G HA2 -0.069 3.891 3.960 0.000 0.000 0.220 86 G HA3 -0.069 3.891 3.960 0.000 0.000 0.220 86 G C -2.921 171.890 174.900 -0.148 0.000 1.357 86 G CA -0.391 44.290 45.100 -0.699 0.000 0.866 86 G HN 0.985 nan 8.290 nan 0.000 0.548 87 P HA 0.171 nan 4.420 nan 0.000 0.264 87 P C 0.952 178.273 177.300 0.034 0.000 1.183 87 P CA -0.026 63.097 63.100 0.037 0.000 0.763 87 P CB 0.586 32.322 31.700 0.061 0.000 0.807 88 K N 2.818 123.249 120.400 0.051 0.000 2.113 88 K HA -0.196 4.124 4.320 0.000 0.000 0.208 88 K C 1.427 178.055 176.600 0.048 0.000 1.047 88 K CA 1.823 58.145 56.287 0.057 0.000 0.928 88 K CB -0.339 32.202 32.500 0.069 0.000 0.716 88 K HN 0.506 nan 8.250 nan 0.000 0.446 89 E N 0.761 120.987 120.200 0.044 0.000 2.204 89 E HA -0.152 4.198 4.350 0.000 0.000 0.195 89 E C 1.628 178.246 176.600 0.031 0.000 0.990 89 E CA 0.900 57.322 56.400 0.037 0.000 0.821 89 E CB 0.002 29.723 29.700 0.035 0.000 0.750 89 E HN 0.230 nan 8.360 nan 0.000 0.477 90 Q N -0.208 119.611 119.800 0.031 0.000 2.360 90 Q HA 0.153 4.493 4.340 0.000 0.000 0.202 90 Q C -0.259 175.750 176.000 0.016 0.000 0.915 90 Q CA 0.127 55.944 55.803 0.023 0.000 0.943 90 Q CB 0.522 29.278 28.738 0.030 0.000 1.064 90 Q HN 0.045 nan 8.270 nan 0.000 0.511 91 R N 2.265 122.779 120.500 0.024 0.000 2.316 91 R HA 0.218 4.558 4.340 0.000 0.000 0.314 91 R C -2.182 174.136 176.300 0.029 0.000 1.069 91 R CA -1.425 54.692 56.100 0.027 0.000 0.959 91 R CB 0.165 30.498 30.300 0.055 0.000 0.987 91 R HN 0.060 nan 8.270 nan 0.000 0.446 92 P HA 0.164 nan 4.420 nan 0.000 0.281 92 P C -0.861 176.460 177.300 0.036 0.000 1.249 92 P CA -0.525 62.583 63.100 0.013 0.000 0.810 92 P CB 0.943 32.637 31.700 -0.010 0.000 1.008 93 R N 2.074 122.591 120.500 0.028 0.000 2.340 93 R HA 0.407 4.747 4.340 0.000 0.000 0.300 93 R C 0.442 176.762 176.300 0.034 0.000 1.069 93 R CA -0.467 55.658 56.100 0.041 0.000 0.984 93 R CB 0.673 30.987 30.300 0.023 0.000 1.003 93 R HN 0.365 nan 8.270 nan 0.000 0.459 94 R N 2.484 123.028 120.500 0.074 0.000 2.803 94 R HA 0.393 4.733 4.340 0.000 0.000 0.276 94 R C -0.502 175.853 176.300 0.091 0.000 0.978 94 R CA -1.031 55.108 56.100 0.064 0.000 0.939 94 R CB 1.333 31.692 30.300 0.098 0.000 1.179 94 R HN 0.494 nan 8.270 nan 0.000 0.472 95 L N 2.212 123.452 121.223 0.029 0.000 2.283 95 L HA 0.150 4.491 4.340 0.000 0.000 0.287 95 L C 0.273 177.274 176.870 0.219 0.000 1.073 95 L CA -0.569 54.312 54.840 0.070 0.000 0.822 95 L CB 0.409 42.330 42.059 -0.230 0.000 1.186 95 L HN 0.453 nan 8.230 nan 0.000 0.436 96 D N 3.919 124.541 120.400 0.369 0.000 2.352 96 D HA 0.132 4.773 4.640 0.000 0.000 0.245 96 D C 0.917 177.423 176.300 0.343 0.000 1.224 96 D CA -0.145 54.061 54.000 0.343 0.000 0.879 96 D CB 0.971 42.067 40.800 0.494 0.000 1.057 96 D HN 0.395 nan 8.370 nan 0.000 0.491 97 L N 3.295 124.647 121.223 0.215 0.000 2.395 97 L HA 0.040 4.380 4.340 0.000 0.000 0.218 97 L C 2.310 179.186 176.870 0.010 0.000 1.130 97 L CA 0.554 55.500 54.840 0.176 0.000 0.826 97 L CB -0.389 41.746 42.059 0.128 0.000 0.941 97 L HN 0.483 nan 8.230 nan 0.000 0.451 98 A N 0.192 122.968 122.820 -0.073 0.000 1.858 98 A HA -0.189 4.131 4.320 0.000 0.000 0.216 98 A C 1.462 178.599 177.584 -0.746 0.000 1.190 98 A CA 1.511 53.288 52.037 -0.434 0.000 0.617 98 A CB -0.626 18.103 19.000 -0.452 0.000 0.827 98 A HN 0.605 nan 8.150 nan 0.000 0.443 99 W N -0.813 120.558 121.300 0.118 0.000 2.818 99 W HA 0.362 5.022 4.660 0.000 0.000 0.403 99 W C 0.080 176.570 176.519 -0.048 0.000 0.991 99 W CA -0.497 56.870 57.345 0.037 0.000 1.925 99 W CB 0.696 30.181 29.460 0.042 0.000 1.166 99 W HN 0.021 nan 8.180 nan 0.000 0.605 100 K N 0.753 121.158 120.400 0.008 0.000 3.156 100 K HA -0.192 4.128 4.320 0.000 0.000 0.266 100 K C -0.372 176.055 176.600 -0.289 0.000 0.966 100 K CA 0.942 56.988 56.287 -0.401 0.000 0.719 100 K CB -2.054 30.097 32.500 -0.582 0.000 1.333 100 K HN 0.137 nan 8.250 nan 0.000 0.468 101 S N -0.551 115.262 115.700 0.187 0.000 2.638 101 S HA 0.551 5.021 4.470 0.000 0.000 0.302 101 S C -0.033 174.853 174.600 0.475 0.000 1.096 101 S CA -0.871 57.503 58.200 0.290 0.000 0.953 101 S CB 2.741 66.088 63.200 0.244 0.000 1.107 101 S HN 0.081 nan 8.310 nan 0.000 0.503 102 V N 2.521 122.656 119.914 0.368 0.000 2.385 102 V HA 0.315 4.435 4.120 0.000 0.000 0.269 102 V C 0.041 176.254 176.094 0.199 0.000 1.043 102 V CA -0.334 62.128 62.300 0.270 0.000 0.906 102 V CB 0.932 32.864 31.823 0.183 0.000 0.995 102 V HN 0.806 nan 8.190 nan 0.000 0.467 103 E N 3.556 123.898 120.200 0.237 0.000 2.115 103 E HA 0.255 4.605 4.350 0.000 0.000 0.282 103 E C 1.075 177.778 176.600 0.172 0.000 0.987 103 E CA -0.036 56.516 56.400 0.254 0.000 0.797 103 E CB 1.524 31.494 29.700 0.450 0.000 1.086 103 E HN 0.765 nan 8.360 nan 0.000 0.397 104 T N 1.465 116.058 114.554 0.065 0.000 3.067 104 T HA -0.002 4.348 4.350 0.000 0.000 0.261 104 T C 0.359 175.140 174.700 0.135 0.000 1.110 104 T CA 0.370 62.499 62.100 0.047 0.000 1.113 104 T CB -0.267 68.564 68.868 -0.061 0.000 0.917 104 T HN 0.609 nan 8.240 nan 0.000 0.499 105 N N 1.208 120.065 118.700 0.262 0.000 2.741 105 N HA -0.197 4.543 4.740 0.000 0.000 0.251 105 N C 0.655 176.332 175.510 0.278 0.000 1.112 105 N CA 1.074 54.323 53.050 0.332 0.000 0.750 105 N CB -1.355 37.289 38.487 0.261 0.000 1.119 105 N HN 0.818 nan 8.380 nan 0.000 0.561 106 E N -0.112 120.250 120.200 0.270 0.000 2.150 106 E HA -0.070 4.280 4.350 0.000 0.000 0.193 106 E C 0.362 177.061 176.600 0.164 0.000 0.985 106 E CA 0.690 57.218 56.400 0.213 0.000 0.814 106 E CB 0.268 30.104 29.700 0.228 0.000 0.752 106 E HN 0.259 nan 8.360 nan 0.000 0.466 107 I N 1.130 121.847 120.570 0.245 0.000 2.359 107 I HA 0.355 4.526 4.170 0.000 0.000 0.294 107 I C 0.701 177.018 176.117 0.333 0.000 0.987 107 I CA -0.135 61.215 61.300 0.084 0.000 1.225 107 I CB 0.983 38.845 38.000 -0.230 0.000 1.366 107 I HN 0.078 nan 8.210 nan 0.000 0.466 108 G N 4.634 113.611 108.800 0.294 0.000 3.176 108 G HA2 0.470 4.430 3.960 0.000 0.000 0.272 108 G HA3 0.470 4.430 3.960 0.000 0.000 0.272 108 G C 0.519 175.639 174.900 0.366 0.000 1.349 108 G CA -0.533 44.799 45.100 0.387 0.000 0.953 108 G HN 0.526 nan 8.290 nan 0.000 0.559 109 L N -1.319 120.130 121.223 0.376 0.000 2.093 109 L HA 0.085 4.425 4.340 0.000 0.000 0.208 109 L C 1.855 178.777 176.870 0.086 0.000 1.085 109 L CA 1.904 56.944 54.840 0.332 0.000 0.755 109 L CB -0.705 41.552 42.059 0.330 0.000 0.904 109 L HN 0.315 nan 8.230 nan 0.000 0.435 110 N N 0.749 119.445 118.700 -0.006 0.000 2.142 110 N HA -0.171 4.569 4.740 0.000 0.000 0.186 110 N C 1.817 177.264 175.510 -0.105 0.000 1.023 110 N CA 1.734 54.581 53.050 -0.338 0.000 0.852 110 N CB -0.219 37.863 38.487 -0.675 0.000 0.998 110 N HN 0.568 nan 8.380 nan 0.000 0.424 111 E N 0.247 120.510 120.200 0.106 0.000 2.106 111 E HA -0.076 4.274 4.350 0.000 0.000 0.192 111 E C 1.572 178.282 176.600 0.184 0.000 0.984 111 E CA 0.443 56.988 56.400 0.241 0.000 0.806 111 E CB -0.319 29.503 29.700 0.203 0.000 0.750 111 E HN 0.297 nan 8.360 nan 0.000 0.458 112 F N 0.610 120.510 119.950 -0.084 0.000 2.171 112 F HA -0.197 4.330 4.527 0.000 0.000 0.300 112 F C 1.869 177.545 175.800 -0.207 0.000 1.090 112 F CA 1.148 58.971 58.000 -0.295 0.000 1.293 112 F CB 0.042 38.521 39.000 -0.868 0.000 1.013 112 F HN -0.010 nan 8.300 nan 0.000 0.486 113 M N -0.056 119.462 119.600 -0.137 0.000 2.159 113 M HA -0.202 4.278 4.480 0.000 0.000 0.263 113 M C 1.788 178.002 176.300 -0.143 0.000 1.063 113 M CA 1.377 56.572 55.300 -0.175 0.000 1.110 113 M CB -1.390 31.075 32.600 -0.224 0.000 1.374 113 M HN 0.100 nan 8.290 nan 0.000 0.411 114 D N -0.811 119.581 120.400 -0.014 0.000 2.123 114 D HA -0.209 4.431 4.640 0.000 0.000 0.196 114 D C 1.735 177.923 176.300 -0.187 0.000 0.992 114 D CA 1.093 55.134 54.000 0.069 0.000 0.833 114 D CB -0.381 40.622 40.800 0.339 0.000 0.954 114 D HN 0.547 nan 8.370 nan 0.000 0.455 115 W N 1.848 122.732 121.300 -0.693 0.000 2.381 115 W HA -0.095 4.566 4.660 0.000 0.000 0.301 115 W C 2.386 178.450 176.519 -0.757 0.000 1.205 115 W CA 2.212 58.894 57.345 -1.106 0.000 1.285 115 W CB -0.350 28.213 29.460 -1.494 0.000 1.133 115 W HN -0.041 nan 8.180 nan 0.000 0.521 116 A N 0.507 122.872 122.820 -0.758 0.000 1.940 116 A HA -0.257 4.063 4.320 0.000 0.000 0.219 116 A C 2.056 179.303 177.584 -0.562 0.000 1.176 116 A CA 2.068 53.665 52.037 -0.734 0.000 0.631 116 A CB -0.990 17.729 19.000 -0.469 0.000 0.814 116 A HN 0.413 nan 8.150 nan 0.000 0.446 117 K N -0.933 119.231 120.400 -0.395 0.000 2.097 117 K HA -0.135 4.185 4.320 0.000 0.000 0.206 117 K C 1.921 178.330 176.600 -0.318 0.000 1.049 117 K CA 1.622 57.753 56.287 -0.261 0.000 0.933 117 K CB -0.215 32.206 32.500 -0.131 0.000 0.717 117 K HN 0.390 nan 8.250 nan 0.000 0.442 118 M N 0.833 120.171 119.600 -0.437 0.000 2.229 118 M HA -0.098 4.383 4.480 0.000 0.000 0.264 118 M C 2.134 178.151 176.300 -0.472 0.000 1.063 118 M CA 1.098 56.154 55.300 -0.407 0.000 1.114 118 M CB -0.473 31.872 32.600 -0.424 0.000 1.387 118 M HN 0.167 nan 8.290 nan 0.000 0.420 119 V N -2.686 116.807 119.914 -0.702 0.000 3.649 119 V HA 0.473 4.593 4.120 0.000 0.000 0.275 119 V C 1.169 177.040 176.094 -0.371 0.000 1.281 119 V CA 0.551 62.505 62.300 -0.577 0.000 1.143 119 V CB -0.919 30.409 31.823 -0.826 0.000 0.892 119 V HN 0.624 nan 8.190 nan 0.000 0.441 120 G N 0.041 108.649 108.800 -0.321 0.000 2.176 120 G HA2 -0.022 3.939 3.960 0.000 0.000 0.252 120 G HA3 -0.022 3.939 3.960 0.000 0.000 0.252 120 G C 0.193 174.990 174.900 -0.171 0.000 1.024 120 G CA 0.373 45.352 45.100 -0.202 0.000 0.755 120 G HN 1.735 nan 8.290 nan 0.000 0.507 121 A N -0.193 122.494 122.820 -0.221 0.000 2.337 121 A HA 0.797 5.117 4.320 0.000 0.000 0.329 121 A C 0.345 177.860 177.584 -0.114 0.000 1.146 121 A CA 0.105 52.055 52.037 -0.146 0.000 0.800 121 A CB 0.825 19.734 19.000 -0.152 0.000 1.220 121 A HN 0.958 nan 8.150 nan 0.000 0.472 122 E N 0.835 121.003 120.200 -0.054 0.000 2.342 122 E HA 0.533 4.883 4.350 0.000 0.000 0.257 122 E C -0.971 175.626 176.600 -0.004 0.000 1.150 122 E CA -0.695 55.685 56.400 -0.033 0.000 0.926 122 E CB 0.907 30.597 29.700 -0.016 0.000 1.074 122 E HN 0.208 nan 8.360 nan 0.000 0.449 123 V N 1.769 121.681 119.914 -0.003 0.000 2.459 123 V HA 0.172 4.292 4.120 0.000 0.000 0.295 123 V C -0.503 175.557 176.094 -0.056 0.000 1.029 123 V CA -1.034 61.294 62.300 0.047 0.000 0.874 123 V CB 1.304 33.192 31.823 0.108 0.000 0.985 123 V HN 0.731 nan 8.190 nan 0.000 0.438 124 N N 4.423 123.110 118.700 -0.021 0.000 2.558 124 N HA 0.306 5.046 4.740 0.000 0.000 0.233 124 N C -0.604 174.842 175.510 -0.107 0.000 1.038 124 N CA -0.351 52.644 53.050 -0.091 0.000 0.934 124 N CB 0.797 39.259 38.487 -0.042 0.000 1.175 124 N HN 0.668 nan 8.380 nan 0.000 0.512 125 M N 3.378 122.793 119.600 -0.308 0.000 2.180 125 M HA 0.527 5.007 4.480 0.000 0.000 0.358 125 M C -0.564 175.701 176.300 -0.058 0.000 1.233 125 M CA -0.456 54.679 55.300 -0.275 0.000 1.114 125 M CB 0.945 33.105 32.600 -0.734 0.000 1.594 125 M HN 0.535 nan 8.290 nan 0.000 0.467 126 A N 5.027 127.875 122.820 0.046 0.000 2.305 126 A HA 0.709 5.029 4.320 0.000 0.000 0.322 126 A C -0.763 176.946 177.584 0.208 0.000 1.187 126 A CA -0.688 51.432 52.037 0.138 0.000 0.825 126 A CB 0.569 19.618 19.000 0.081 0.000 1.164 126 A HN 1.048 nan 8.150 nan 0.000 0.498 127 V N 0.887 120.950 119.914 0.249 0.000 2.612 127 V HA 0.508 4.628 4.120 0.000 0.000 0.301 127 V C 0.181 176.384 176.094 0.181 0.000 1.046 127 V CA -1.181 61.254 62.300 0.226 0.000 0.946 127 V CB 1.568 33.505 31.823 0.189 0.000 1.003 127 V HN 0.839 nan 8.190 nan 0.000 0.459 128 N N 3.221 122.026 118.700 0.176 0.000 2.405 128 N HA 0.239 4.979 4.740 0.000 0.000 0.260 128 N C -0.139 175.440 175.510 0.116 0.000 1.152 128 N CA -0.036 53.095 53.050 0.135 0.000 0.948 128 N CB 0.544 39.105 38.487 0.123 0.000 1.111 128 N HN 0.852 nan 8.380 nan 0.000 0.485 129 L N 2.810 124.106 121.223 0.121 0.000 3.110 129 L HA 0.352 4.692 4.340 0.000 0.000 0.266 129 L C 1.581 178.511 176.870 0.100 0.000 1.257 129 L CA -0.398 54.516 54.840 0.123 0.000 1.038 129 L CB 0.536 42.712 42.059 0.195 0.000 1.395 129 L HN 0.581 nan 8.230 nan 0.000 0.566 130 G N 0.344 109.185 108.800 0.067 0.000 2.682 130 G HA2 -0.113 3.847 3.960 0.000 0.000 0.221 130 G HA3 -0.113 3.847 3.960 0.000 0.000 0.221 130 G C 1.442 176.360 174.900 0.029 0.000 1.386 130 G CA 1.067 46.191 45.100 0.041 0.000 0.909 130 G HN 0.295 nan 8.290 nan 0.000 0.558 131 T N -1.123 113.442 114.554 0.018 0.000 3.088 131 T HA 0.314 4.665 4.350 0.000 0.000 0.259 131 T C 1.205 175.910 174.700 0.009 0.000 1.122 131 T CA 0.201 62.305 62.100 0.007 0.000 1.095 131 T CB 0.107 68.969 68.868 -0.010 0.000 0.930 131 T HN 0.209 nan 8.240 nan 0.000 0.508 132 R N -0.633 119.881 120.500 0.023 0.000 3.029 132 R HA 0.781 5.122 4.340 0.000 0.000 0.239 132 R C 0.274 176.597 176.300 0.039 0.000 1.351 132 R CA -0.829 55.288 56.100 0.028 0.000 1.052 132 R CB 1.443 31.765 30.300 0.037 0.000 1.354 132 R HN 0.258 nan 8.270 nan 0.000 0.499 133 G N -0.325 108.497 108.800 0.037 0.000 2.933 133 G HA2 0.222 4.182 3.960 0.000 0.000 0.203 133 G HA3 0.222 4.182 3.960 0.000 0.000 0.203 133 G C 0.484 175.392 174.900 0.013 0.000 1.170 133 G CA -0.376 44.739 45.100 0.024 0.000 0.880 133 G HN 0.617 nan 8.290 nan 0.000 0.573 134 I N -1.370 119.196 120.570 -0.006 0.000 2.439 134 I HA 0.130 4.300 4.170 0.000 0.000 0.251 134 I C 1.722 177.833 176.117 -0.010 0.000 1.139 134 I CA 2.314 63.599 61.300 -0.025 0.000 1.438 134 I CB -0.094 37.881 38.000 -0.042 0.000 1.085 134 I HN 0.353 nan 8.210 nan 0.000 0.427 135 D N 1.791 122.198 120.400 0.012 0.000 2.117 135 D HA -0.110 4.531 4.640 0.000 0.000 0.198 135 D C 2.240 178.562 176.300 0.037 0.000 0.982 135 D CA 1.684 55.700 54.000 0.026 0.000 0.828 135 D CB 0.084 40.906 40.800 0.037 0.000 0.967 135 D HN 0.438 nan 8.370 nan 0.000 0.464 136 A N 0.257 123.118 122.820 0.068 0.000 1.969 136 A HA 0.103 4.423 4.320 0.000 0.000 0.218 136 A C 2.285 179.926 177.584 0.095 0.000 1.169 136 A CA 1.845 53.979 52.037 0.162 0.000 0.635 136 A CB -0.827 18.287 19.000 0.190 0.000 0.810 136 A HN 0.321 nan 8.150 nan 0.000 0.445 137 A N 1.116 123.942 122.820 0.009 0.000 1.855 137 A HA -0.152 4.169 4.320 0.000 0.000 0.215 137 A C 2.232 179.710 177.584 -0.176 0.000 1.191 137 A CA 1.672 53.661 52.037 -0.079 0.000 0.613 137 A CB -0.552 18.400 19.000 -0.079 0.000 0.829 137 A HN 0.701 nan 8.150 nan 0.000 0.442 138 R N -0.437 119.985 120.500 -0.129 0.000 2.081 138 R HA -0.117 4.223 4.340 0.000 0.000 0.235 138 R C 1.563 177.763 176.300 -0.167 0.000 1.131 138 R CA 1.728 57.743 56.100 -0.140 0.000 0.960 138 R CB -0.723 29.545 30.300 -0.054 0.000 0.856 138 R HN 0.378 nan 8.270 nan 0.000 0.436 139 N N 1.029 119.626 118.700 -0.172 0.000 2.166 139 N HA -0.144 4.597 4.740 0.000 0.000 0.186 139 N C 1.663 176.918 175.510 -0.425 0.000 1.019 139 N CA 1.059 53.894 53.050 -0.358 0.000 0.856 139 N CB -0.283 37.911 38.487 -0.489 0.000 0.993 139 N HN 0.188 nan 8.380 nan 0.000 0.426 140 L N 0.731 121.651 121.223 -0.505 0.000 2.093 140 L HA 0.005 4.346 4.340 0.000 0.000 0.208 140 L C 1.915 178.613 176.870 -0.288 0.000 1.085 140 L CA 1.091 55.449 54.840 -0.803 0.000 0.755 140 L CB -0.442 41.109 42.059 -0.848 0.000 0.904 140 L HN -0.112 nan 8.230 nan 0.000 0.435 141 V N -0.224 119.485 119.914 -0.342 0.000 2.427 141 V HA -0.269 3.851 4.120 0.000 0.000 0.248 141 V C 2.553 178.621 176.094 -0.044 0.000 1.051 141 V CA 1.855 63.955 62.300 -0.334 0.000 1.048 141 V CB -0.581 30.880 31.823 -0.604 0.000 0.666 141 V HN 0.594 nan 8.190 nan 0.000 0.456 142 E N -0.418 119.753 120.200 -0.049 0.000 2.031 142 E HA -0.290 4.060 4.350 0.000 0.000 0.193 142 E C 2.230 178.935 176.600 0.175 0.000 0.994 142 E CA 1.784 58.226 56.400 0.069 0.000 0.800 142 E CB -0.330 29.404 29.700 0.056 0.000 0.752 142 E HN 0.670 nan 8.360 nan 0.000 0.447 143 Y N 0.684 120.999 120.300 0.025 0.000 2.114 143 Y HA -0.321 4.229 4.550 0.000 0.000 0.282 143 Y C 2.311 178.298 175.900 0.146 0.000 1.165 143 Y CA 2.081 60.241 58.100 0.100 0.000 1.148 143 Y CB -0.392 38.015 38.460 -0.089 0.000 0.972 143 Y HN 0.217 nan 8.280 nan 0.000 0.504 144 C N -0.001 119.483 119.300 0.306 0.000 2.475 144 C HA -0.020 4.441 4.460 0.000 0.000 0.279 144 C C 2.011 177.141 174.990 0.233 0.000 1.322 144 C CA 1.240 60.493 59.018 0.391 0.000 1.734 144 C CB -0.937 27.117 27.740 0.523 0.000 2.005 144 C HN 0.608 nan 8.230 nan 0.000 0.495 145 N N -1.802 117.029 118.700 0.217 0.000 2.317 145 N HA 0.047 4.788 4.740 0.000 0.000 0.199 145 N C 0.366 175.961 175.510 0.142 0.000 1.145 145 N CA 0.089 53.249 53.050 0.184 0.000 0.882 145 N CB -0.301 38.327 38.487 0.234 0.000 1.113 145 N HN 0.578 nan 8.380 nan 0.000 0.486 146 H N 1.709 120.807 119.070 0.048 0.000 2.767 146 H HA 0.099 4.655 4.556 0.000 0.000 0.316 146 H C -1.585 173.747 175.328 0.007 0.000 1.059 146 H CA -1.393 54.678 56.048 0.037 0.000 1.461 146 H CB 1.809 31.605 29.762 0.056 0.000 1.475 146 H HN -0.065 nan 8.280 nan 0.000 0.531 147 P HA -0.156 nan 4.420 nan 0.000 0.213 147 P C -0.213 177.013 177.300 -0.123 0.000 1.170 147 P CA 1.589 64.572 63.100 -0.194 0.000 0.902 147 P CB 0.334 31.897 31.700 -0.229 0.000 0.789 148 S N -5.996 109.633 115.700 -0.119 0.000 2.656 148 S HA 0.485 4.955 4.470 0.000 0.000 0.265 148 S C 0.450 175.094 174.600 0.073 0.000 1.110 148 S CA -0.146 58.050 58.200 -0.006 0.000 0.821 148 S CB 0.507 63.687 63.200 -0.033 0.000 1.099 148 S HN 0.506 nan 8.310 nan 0.000 0.471 149 G N 0.077 108.926 108.800 0.082 0.000 2.157 149 G HA2 -0.029 3.931 3.960 0.000 0.000 0.248 149 G HA3 -0.029 3.931 3.960 0.000 0.000 0.248 149 G C 0.164 175.148 174.900 0.140 0.000 0.979 149 G CA 0.698 45.858 45.100 0.100 0.000 0.650 149 G HN 2.180 nan 8.290 nan 0.000 0.529 150 S N -1.627 114.171 115.700 0.163 0.000 2.634 150 S HA 0.668 5.138 4.470 0.000 0.000 0.296 150 S C 0.605 175.275 174.600 0.116 0.000 1.104 150 S CA 0.036 58.320 58.200 0.140 0.000 0.920 150 S CB 1.885 65.152 63.200 0.113 0.000 1.111 150 S HN 0.984 nan 8.310 nan 0.000 0.493 151 Y N 1.100 121.404 120.300 0.007 0.000 2.081 151 Y HA -0.212 4.338 4.550 0.000 0.000 0.280 151 Y C 1.693 177.551 175.900 -0.069 0.000 1.163 151 Y CA 1.951 59.998 58.100 -0.089 0.000 1.135 151 Y CB -0.601 37.727 38.460 -0.221 0.000 0.970 151 Y HN 0.790 nan 8.280 nan 0.000 0.498 152 Y N -0.074 120.337 120.300 0.184 0.000 2.286 152 Y HA -0.156 4.394 4.550 0.000 0.000 0.293 152 Y C 2.973 178.916 175.900 0.072 0.000 1.124 152 Y CA 1.391 59.619 58.100 0.212 0.000 1.178 152 Y CB -0.760 37.944 38.460 0.406 0.000 1.010 152 Y HN 0.290 nan 8.280 nan 0.000 0.536 153 S N -0.490 115.318 115.700 0.180 0.000 2.355 153 S HA -0.173 4.298 4.470 0.000 0.000 0.222 153 S C 1.547 176.109 174.600 -0.063 0.000 1.031 153 S CA 1.495 59.732 58.200 0.062 0.000 0.993 153 S CB -0.495 62.826 63.200 0.202 0.000 0.859 153 S HN 0.333 nan 8.310 nan 0.000 0.453 154 D N 1.339 121.698 120.400 -0.069 0.000 2.219 154 D HA 0.026 4.666 4.640 0.000 0.000 0.205 154 D C 1.787 177.958 176.300 -0.214 0.000 0.970 154 D CA 0.500 54.427 54.000 -0.121 0.000 0.851 154 D CB -0.406 40.334 40.800 -0.099 0.000 0.943 154 D HN 0.341 nan 8.370 nan 0.000 0.488 155 L N 0.912 121.951 121.223 -0.306 0.000 2.056 155 L HA -0.069 4.271 4.340 0.000 0.000 0.207 155 L C 2.261 178.906 176.870 -0.375 0.000 1.078 155 L CA 1.489 56.100 54.840 -0.381 0.000 0.749 155 L CB -0.290 41.582 42.059 -0.311 0.000 0.901 155 L HN -0.163 nan 8.230 nan 0.000 0.433 156 R N -0.258 120.027 120.500 -0.359 0.000 2.081 156 R HA -0.172 4.168 4.340 0.000 0.000 0.235 156 R C 2.292 178.556 176.300 -0.060 0.000 1.131 156 R CA 2.120 57.967 56.100 -0.421 0.000 0.960 156 R CB -0.431 29.396 30.300 -0.788 0.000 0.856 156 R HN 0.463 nan 8.270 nan 0.000 0.436 157 I N 0.772 121.281 120.570 -0.101 0.000 2.179 157 I HA -0.253 3.918 4.170 0.000 0.000 0.242 157 I C 2.603 178.724 176.117 0.007 0.000 1.088 157 I CA 1.375 62.658 61.300 -0.029 0.000 1.357 157 I CB -0.445 37.524 38.000 -0.052 0.000 1.051 157 I HN 0.259 nan 8.210 nan 0.000 0.409 158 A N -0.005 122.786 122.820 -0.048 0.000 1.978 158 A HA -0.244 4.076 4.320 0.000 0.000 0.220 158 A C 1.969 179.642 177.584 0.148 0.000 1.170 158 A CA 1.670 53.704 52.037 -0.005 0.000 0.636 158 A CB -0.854 18.097 19.000 -0.080 0.000 0.810 158 A HN 0.451 nan 8.150 nan 0.000 0.448 159 H N -1.269 117.915 119.070 0.191 0.000 2.556 159 H HA 0.255 4.811 4.556 0.000 0.000 0.268 159 H C 1.607 177.124 175.328 0.314 0.000 0.996 159 H CA 0.340 56.564 56.048 0.293 0.000 1.157 159 H CB -0.135 29.887 29.762 0.433 0.000 1.355 159 H HN 0.646 nan 8.280 nan 0.000 0.597 160 G N -0.350 108.611 108.800 0.269 0.000 2.143 160 G HA2 -0.222 3.738 3.960 0.000 0.000 0.175 160 G HA3 -0.222 3.738 3.960 0.000 0.000 0.175 160 G C -0.612 174.075 174.900 -0.355 0.000 1.004 160 G CA -0.493 44.585 45.100 -0.037 0.000 0.671 160 G HN 0.348 nan 8.290 nan 0.000 0.512 161 Y N 0.298 120.657 120.300 0.099 0.000 2.787 161 Y HA 0.465 5.016 4.550 0.000 0.000 0.352 161 Y C 1.274 177.139 175.900 -0.059 0.000 1.027 161 Y CA -0.492 57.642 58.100 0.056 0.000 1.219 161 Y CB 1.309 39.862 38.460 0.156 0.000 1.110 161 Y HN 0.139 nan 8.280 nan 0.000 0.614 162 K N 0.633 121.036 120.400 0.005 0.000 2.025 162 K HA -0.059 4.261 4.320 0.000 0.000 0.207 162 K C 0.220 176.790 176.600 -0.049 0.000 1.049 162 K CA 1.223 57.495 56.287 -0.026 0.000 0.933 162 K CB 0.316 32.798 32.500 -0.030 0.000 0.714 162 K HN 0.299 nan 8.250 nan 0.000 0.438 163 E N 2.169 122.342 120.200 -0.044 0.000 2.313 163 E HA 0.167 4.517 4.350 0.000 0.000 0.276 163 E C -2.345 174.165 176.600 -0.150 0.000 1.031 163 E CA -2.837 53.526 56.400 -0.063 0.000 0.857 163 E CB 0.992 30.677 29.700 -0.024 0.000 1.040 163 E HN 0.263 nan 8.360 nan 0.000 0.408 164 P HA 0.033 nan 4.420 nan 0.000 0.269 164 P C 0.521 177.703 177.300 -0.198 0.000 1.215 164 P CA -0.015 62.952 63.100 -0.223 0.000 0.780 164 P CB 0.661 32.316 31.700 -0.075 0.000 0.898 165 H N 1.584 120.701 119.070 0.079 0.000 2.457 165 H HA -0.004 4.552 4.556 0.000 0.000 0.294 165 H C 0.468 175.841 175.328 0.075 0.000 1.064 165 H CA 0.656 56.749 56.048 0.076 0.000 1.330 165 H CB -0.132 29.672 29.762 0.071 0.000 1.395 165 H HN 0.489 nan 8.280 nan 0.000 0.541 166 K N 0.456 120.965 120.400 0.180 0.000 3.244 166 K HA -0.169 4.151 4.320 0.000 0.000 0.270 166 K C -0.404 176.294 176.600 0.163 0.000 1.016 166 K CA 0.278 56.660 56.287 0.158 0.000 0.754 166 K CB -1.892 30.667 32.500 0.099 0.000 1.326 166 K HN 0.344 nan 8.250 nan 0.000 0.465 167 I N 1.190 121.880 120.570 0.200 0.000 2.533 167 I HA -0.065 4.105 4.170 0.000 0.000 0.284 167 I C 1.638 177.873 176.117 0.197 0.000 1.109 167 I CA -0.018 61.320 61.300 0.062 0.000 1.412 167 I CB 0.805 38.664 38.000 -0.235 0.000 1.396 167 I HN 0.151 nan 8.210 nan 0.000 0.543 168 K N 4.067 124.529 120.400 0.103 0.000 2.067 168 K HA 0.059 4.379 4.320 0.000 0.000 0.203 168 K C 0.308 177.064 176.600 0.261 0.000 1.048 168 K CA 1.271 57.669 56.287 0.185 0.000 0.954 168 K CB 0.270 32.839 32.500 0.115 0.000 0.737 168 K HN 0.592 nan 8.250 nan 0.000 0.444 169 T N 0.963 115.568 114.554 0.086 0.000 2.791 169 T HA 0.406 4.756 4.350 0.000 0.000 0.288 169 T C -1.435 173.275 174.700 0.016 0.000 0.999 169 T CA -0.482 61.699 62.100 0.135 0.000 0.952 169 T CB 0.512 69.408 68.868 0.046 0.000 0.938 169 T HN 0.134 nan 8.240 nan 0.000 0.444 170 W N 1.494 122.839 121.300 0.074 0.000 2.736 170 W HA 0.552 5.212 4.660 0.000 0.000 0.335 170 W C -0.414 176.147 176.519 0.070 0.000 1.059 170 W CA -0.932 56.452 57.345 0.065 0.000 1.226 170 W CB 0.969 30.460 29.460 0.052 0.000 1.416 170 W HN 0.493 nan 8.180 nan 0.000 0.505 171 C N 3.329 122.794 119.300 0.276 0.000 2.307 171 C HA 0.406 4.866 4.460 0.000 0.000 0.340 171 C C 0.665 175.797 174.990 0.236 0.000 1.275 171 C CA -0.756 58.388 59.018 0.210 0.000 1.811 171 C CB -0.626 27.191 27.740 0.129 0.000 2.372 171 C HN 0.442 nan 8.230 nan 0.000 0.531 172 L N 5.083 126.442 121.223 0.227 0.000 2.415 172 L HA 0.391 4.731 4.340 0.000 0.000 0.269 172 L C 1.220 178.269 176.870 0.299 0.000 1.244 172 L CA 0.680 55.658 54.840 0.230 0.000 1.113 172 L CB -1.198 40.974 42.059 0.189 0.000 1.352 172 L HN 1.144 nan 8.230 nan 0.000 0.433 173 G N 2.440 111.376 108.800 0.227 0.000 2.752 173 G HA2 -0.311 3.649 3.960 0.000 0.000 0.234 173 G HA3 -0.311 3.649 3.960 0.000 0.000 0.234 173 G C -0.632 174.345 174.900 0.129 0.000 1.367 173 G CA -0.343 44.866 45.100 0.182 0.000 0.879 173 G HN 0.628 nan 8.290 nan 0.000 0.563 174 N N -0.525 118.224 118.700 0.082 0.000 2.432 174 N HA 0.696 5.436 4.740 0.000 0.000 0.292 174 N C 0.501 175.993 175.510 -0.030 0.000 1.193 174 N CA 0.484 53.581 53.050 0.079 0.000 0.878 174 N CB 1.429 39.997 38.487 0.134 0.000 1.252 174 N HN 1.603 nan 8.380 nan 0.000 0.520 175 A N 1.808 124.614 122.820 -0.023 0.000 2.553 175 A HA 0.075 4.395 4.320 0.000 0.000 0.258 175 A C 0.462 177.885 177.584 -0.268 0.000 1.069 175 A CA 0.643 52.557 52.037 -0.204 0.000 0.767 175 A CB -0.640 18.260 19.000 -0.167 0.000 0.997 175 A HN 0.806 nan 8.150 nan 0.000 0.512 176 M N 2.112 121.485 119.600 -0.378 0.000 2.484 176 M HA 0.060 4.541 4.480 0.000 0.000 0.307 176 M C 0.919 177.025 176.300 -0.323 0.000 1.149 176 M CA 0.030 55.157 55.300 -0.289 0.000 0.972 176 M CB 0.359 32.860 32.600 -0.166 0.000 1.400 176 M HN 0.886 nan 8.290 nan 0.000 0.508 177 D N 0.288 120.226 120.400 -0.770 0.000 2.264 177 D HA -0.059 4.581 4.640 0.000 0.000 0.208 177 D C 0.841 176.895 176.300 -0.410 0.000 0.966 177 D CA 0.571 54.066 54.000 -0.841 0.000 0.864 177 D CB -0.314 39.512 40.800 -1.625 0.000 0.933 177 D HN 0.268 nan 8.370 nan 0.000 0.499 178 G N 1.472 109.835 108.800 -0.728 0.000 2.370 178 G HA2 0.308 4.269 3.960 0.000 0.000 0.272 178 G HA3 0.308 4.269 3.960 0.000 0.000 0.272 178 G C -1.488 172.778 174.900 -1.057 0.000 1.208 178 G CA -1.084 43.162 45.100 -1.422 0.000 0.856 178 G HN -0.034 nan 8.290 nan 0.000 0.500 179 P HA -0.106 nan 4.420 nan 0.000 0.225 179 P C 1.003 178.148 177.300 -0.259 0.000 1.148 179 P CA 0.902 63.685 63.100 -0.529 0.000 0.779 179 P CB 0.043 31.565 31.700 -0.296 0.000 0.780 180 W N -0.500 120.747 121.300 -0.089 0.000 3.256 180 W HA 0.371 5.032 4.660 0.000 0.000 0.269 180 W C 0.511 176.989 176.519 -0.068 0.000 1.310 180 W CA -0.554 56.744 57.345 -0.078 0.000 1.673 180 W CB -1.209 28.203 29.460 -0.080 0.000 1.115 180 W HN -0.151 nan 8.180 nan 0.000 0.686 181 Q N 1.843 121.414 119.800 -0.382 0.000 2.259 181 Q HA 0.340 4.680 4.340 0.000 0.000 0.249 181 Q C -0.162 175.801 176.000 -0.062 0.000 0.914 181 Q CA -0.449 55.235 55.803 -0.199 0.000 0.904 181 Q CB 0.818 29.380 28.738 -0.293 0.000 1.213 181 Q HN 0.304 nan 8.270 nan 0.000 0.428 182 I N 2.984 123.542 120.570 -0.021 0.000 2.598 182 I HA 0.126 4.296 4.170 0.000 0.000 0.284 182 I C 1.122 177.242 176.117 0.004 0.000 1.140 182 I CA 0.842 62.139 61.300 -0.004 0.000 1.420 182 I CB 0.231 38.226 38.000 -0.008 0.000 1.387 182 I HN 0.932 nan 8.210 nan 0.000 0.553 183 G N 5.094 113.906 108.800 0.020 0.000 2.323 183 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 183 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 183 G C 0.483 175.401 174.900 0.030 0.000 1.040 183 G CA 0.086 45.204 45.100 0.029 0.000 0.942 183 G HN 0.945 nan 8.290 nan 0.000 0.506 184 H N 0.426 119.459 119.070 -0.062 0.000 3.134 184 H HA 0.183 4.740 4.556 0.000 0.000 0.326 184 H C 0.191 175.522 175.328 0.004 0.000 1.017 184 H CA 1.096 57.096 56.048 -0.080 0.000 1.359 184 H CB 0.447 30.131 29.762 -0.130 0.000 1.300 184 H HN 0.443 nan 8.280 nan 0.000 0.596 185 K N 3.092 123.112 120.400 -0.632 0.000 2.426 185 K HA 0.193 4.514 4.320 0.000 0.000 0.251 185 K C -0.049 176.279 176.600 -0.455 0.000 0.941 185 K CA -0.786 55.262 56.287 -0.398 0.000 0.808 185 K CB 1.982 34.466 32.500 -0.027 0.000 1.265 185 K HN 0.780 nan 8.250 nan 0.000 0.432 186 T N -1.470 112.952 114.554 -0.221 0.000 2.701 186 T HA 0.149 4.499 4.350 0.000 0.000 0.303 186 T C 1.367 176.002 174.700 -0.109 0.000 1.030 186 T CA 0.042 62.133 62.100 -0.015 0.000 1.010 186 T CB 0.977 69.844 68.868 -0.001 0.000 1.007 186 T HN 0.613 nan 8.240 nan 0.000 0.532 187 A N 0.424 123.088 122.820 -0.261 0.000 1.933 187 A HA 0.043 4.364 4.320 0.000 0.000 0.218 187 A C 2.429 179.665 177.584 -0.580 0.000 1.175 187 A CA 1.534 53.076 52.037 -0.824 0.000 0.628 187 A CB -1.186 17.390 19.000 -0.707 0.000 0.814 187 A HN 0.714 nan 8.150 nan 0.000 0.444 188 V N -0.050 119.636 119.914 -0.380 0.000 2.307 188 V HA -0.250 3.870 4.120 0.000 0.000 0.245 188 V C 2.393 178.365 176.094 -0.205 0.000 1.045 188 V CA 2.237 64.317 62.300 -0.366 0.000 1.024 188 V CB -0.847 30.875 31.823 -0.168 0.000 0.651 188 V HN 0.634 nan 8.190 nan 0.000 0.449 189 E N -0.801 119.325 120.200 -0.124 0.000 2.058 189 E HA -0.269 4.081 4.350 0.000 0.000 0.194 189 E C 2.139 178.706 176.600 -0.054 0.000 0.997 189 E CA 1.882 58.247 56.400 -0.059 0.000 0.801 189 E CB -0.283 29.395 29.700 -0.038 0.000 0.746 189 E HN 0.729 nan 8.360 nan 0.000 0.450 190 Y N 1.008 121.197 120.300 -0.185 0.000 2.163 190 Y HA -0.089 4.461 4.550 0.000 0.000 0.288 190 Y C 2.250 178.056 175.900 -0.156 0.000 1.136 190 Y CA 1.692 59.705 58.100 -0.146 0.000 1.147 190 Y CB -0.796 37.588 38.460 -0.126 0.000 0.987 190 Y HN -0.021 nan 8.280 nan 0.000 0.509 191 G N 0.877 109.381 108.800 -0.493 0.000 2.476 191 G HA2 -0.264 3.697 3.960 0.000 0.000 0.218 191 G HA3 -0.264 3.697 3.960 0.000 0.000 0.218 191 G C 1.827 176.613 174.900 -0.190 0.000 1.164 191 G CA 0.924 45.759 45.100 -0.442 0.000 0.768 191 G HN 0.250 nan 8.290 nan 0.000 0.560 192 R N -0.102 120.381 120.500 -0.029 0.000 2.066 192 R HA 0.090 4.431 4.340 0.000 0.000 0.232 192 R C 2.546 178.767 176.300 -0.132 0.000 1.131 192 R CA 0.875 56.965 56.100 -0.017 0.000 0.955 192 R CB -0.948 29.364 30.300 0.019 0.000 0.851 192 R HN 0.495 nan 8.270 nan 0.000 0.432 193 I N 0.681 121.158 120.570 -0.155 0.000 2.439 193 I HA -0.178 3.992 4.170 0.000 0.000 0.251 193 I C 2.083 178.079 176.117 -0.202 0.000 1.139 193 I CA 1.057 62.276 61.300 -0.137 0.000 1.438 193 I CB -0.090 37.876 38.000 -0.057 0.000 1.085 193 I HN 0.088 nan 8.210 nan 0.000 0.427 194 A N -0.404 122.196 122.820 -0.367 0.000 1.930 194 A HA -0.272 4.049 4.320 0.000 0.000 0.217 194 A C 2.513 179.933 177.584 -0.273 0.000 1.175 194 A CA 1.612 53.426 52.037 -0.372 0.000 0.627 194 A CB -1.450 17.108 19.000 -0.737 0.000 0.815 194 A HN 0.677 nan 8.150 nan 0.000 0.443 195 C N -0.301 118.836 119.300 -0.271 0.000 2.432 195 C HA -0.089 4.371 4.460 0.000 0.000 0.277 195 C C 2.584 177.348 174.990 -0.378 0.000 1.249 195 C CA 1.648 60.497 59.018 -0.281 0.000 1.725 195 C CB -1.035 26.576 27.740 -0.216 0.000 2.028 195 C HN 0.625 nan 8.230 nan 0.000 0.477 196 E N 0.901 120.932 120.200 -0.283 0.000 2.106 196 E HA -0.037 4.313 4.350 0.000 0.000 0.192 196 E C 2.417 178.863 176.600 -0.257 0.000 0.984 196 E CA 1.407 57.648 56.400 -0.265 0.000 0.806 196 E CB -0.798 28.806 29.700 -0.159 0.000 0.750 196 E HN 0.778 nan 8.360 nan 0.000 0.458 197 A N 1.664 124.360 122.820 -0.208 0.000 1.898 197 A HA -0.056 4.264 4.320 0.000 0.000 0.216 197 A C 2.454 179.895 177.584 -0.240 0.000 1.181 197 A CA 1.993 53.923 52.037 -0.178 0.000 0.620 197 A CB -0.658 18.275 19.000 -0.112 0.000 0.819 197 A HN 0.260 nan 8.150 nan 0.000 0.442 198 A N -0.024 122.642 122.820 -0.257 0.000 1.892 198 A HA -0.237 4.083 4.320 0.000 0.000 0.218 198 A C 2.117 179.462 177.584 -0.398 0.000 1.188 198 A CA 2.104 53.984 52.037 -0.262 0.000 0.631 198 A CB -0.502 18.381 19.000 -0.194 0.000 0.822 198 A HN 0.568 nan 8.150 nan 0.000 0.447 199 K N -0.444 119.598 120.400 -0.596 0.000 2.002 199 K HA -0.122 4.198 4.320 0.000 0.000 0.209 199 K C 1.979 177.952 176.600 -1.045 0.000 1.048 199 K CA 1.779 57.468 56.287 -0.997 0.000 0.930 199 K CB -0.536 31.240 32.500 -1.206 0.000 0.714 199 K HN 0.537 nan 8.250 nan 0.000 0.438 200 V N -1.085 118.494 119.914 -0.557 0.000 2.427 200 V HA -0.203 3.917 4.120 0.000 0.000 0.248 200 V C 2.079 178.088 176.094 -0.142 0.000 1.051 200 V CA 1.425 63.632 62.300 -0.155 0.000 1.048 200 V CB -0.669 31.153 31.823 -0.001 0.000 0.666 200 V HN 0.216 nan 8.190 nan 0.000 0.456 201 M N 0.195 119.642 119.600 -0.255 0.000 2.086 201 M HA -0.153 4.327 4.480 0.000 0.000 0.261 201 M C 2.457 178.613 176.300 -0.239 0.000 1.067 201 M CA 2.301 57.423 55.300 -0.296 0.000 1.116 201 M CB -0.492 31.873 32.600 -0.392 0.000 1.348 201 M HN 0.220 nan 8.290 nan 0.000 0.407 202 K N -0.715 119.531 120.400 -0.256 0.000 2.211 202 K HA -0.142 4.178 4.320 0.000 0.000 0.203 202 K C 1.779 178.362 176.600 -0.028 0.000 1.050 202 K CA 0.959 57.146 56.287 -0.166 0.000 0.945 202 K CB 0.006 32.392 32.500 -0.191 0.000 0.732 202 K HN 0.362 nan 8.250 nan 0.000 0.451 203 W N 0.251 121.522 121.300 -0.049 0.000 2.388 203 W HA -0.108 4.553 4.660 0.000 0.000 0.294 203 W C 1.799 178.299 176.519 -0.032 0.000 1.212 203 W CA 0.460 57.785 57.345 -0.033 0.000 1.271 203 W CB -0.897 28.541 29.460 -0.037 0.000 1.126 203 W HN -0.140 nan 8.180 nan 0.000 0.535 204 V N -0.042 119.960 119.914 0.146 0.000 2.358 204 V HA -0.157 3.963 4.120 0.000 0.000 0.246 204 V C 0.210 176.358 176.094 0.090 0.000 1.047 204 V CA 2.085 64.427 62.300 0.070 0.000 1.035 204 V CB -0.530 31.283 31.823 -0.017 0.000 0.658 204 V HN -0.093 nan 8.190 nan 0.000 0.452 205 D N -1.525 118.906 120.400 0.052 0.000 2.328 205 D HA 0.254 4.894 4.640 0.000 0.000 0.243 205 D C -2.354 173.978 176.300 0.052 0.000 1.324 205 D CA -1.727 52.314 54.000 0.068 0.000 0.966 205 D CB 1.802 42.643 40.800 0.068 0.000 1.324 205 D HN 0.045 nan 8.370 nan 0.000 0.549 206 P HA -0.061 nan 4.420 nan 0.000 0.228 206 P C 1.258 178.595 177.300 0.061 0.000 1.151 206 P CA 0.962 64.100 63.100 0.064 0.000 0.770 206 P CB 0.045 31.795 31.700 0.084 0.000 0.786 207 T N -3.071 111.528 114.554 0.076 0.000 3.085 207 T HA 0.011 4.361 4.350 0.000 0.000 0.263 207 T C 1.016 175.784 174.700 0.114 0.000 1.127 207 T CA -0.188 61.965 62.100 0.088 0.000 1.103 207 T CB -1.104 67.820 68.868 0.093 0.000 0.921 207 T HN 0.151 nan 8.240 nan 0.000 0.510 208 I N 0.096 120.737 120.570 0.118 0.000 3.079 208 I HA 0.526 4.696 4.170 0.000 0.000 0.295 208 I C -0.229 175.981 176.117 0.155 0.000 1.094 208 I CA -1.080 60.328 61.300 0.180 0.000 1.295 208 I CB 0.730 38.823 38.000 0.155 0.000 1.443 208 I HN 0.285 nan 8.210 nan 0.000 0.607 209 E N 4.138 124.478 120.200 0.235 0.000 2.343 209 E HA 0.720 5.070 4.350 0.000 0.000 0.270 209 E C -1.591 175.172 176.600 0.271 0.000 0.895 209 E CA -1.045 55.484 56.400 0.215 0.000 0.767 209 E CB 2.457 32.322 29.700 0.274 0.000 1.248 209 E HN 0.605 nan 8.360 nan 0.000 0.440 210 L N 1.202 122.553 121.223 0.214 0.000 2.362 210 L HA 0.550 4.891 4.340 0.000 0.000 0.271 210 L C -1.000 176.023 176.870 0.255 0.000 1.002 210 L CA -1.353 53.611 54.840 0.207 0.000 0.818 210 L CB 2.267 44.378 42.059 0.087 0.000 1.298 210 L HN 0.407 nan 8.230 nan 0.000 0.420 211 V N 3.146 123.211 119.914 0.252 0.000 2.357 211 V HA 0.327 4.447 4.120 0.000 0.000 0.284 211 V C 0.062 176.278 176.094 0.203 0.000 1.018 211 V CA -0.800 61.648 62.300 0.246 0.000 0.841 211 V CB 1.785 33.722 31.823 0.189 0.000 0.991 211 V HN 0.506 nan 8.190 nan 0.000 0.437 212 V N 1.919 121.944 119.914 0.184 0.000 2.686 212 V HA 0.448 4.568 4.120 0.000 0.000 0.295 212 V C 0.327 176.586 176.094 0.275 0.000 1.057 212 V CA -0.703 61.741 62.300 0.240 0.000 1.012 212 V CB 1.003 32.928 31.823 0.171 0.000 1.006 212 V HN 0.840 nan 8.190 nan 0.000 0.477 213 C N 4.856 124.387 119.300 0.385 0.000 2.566 213 C HA 0.627 5.087 4.460 0.000 0.000 0.393 213 C C 1.414 176.604 174.990 0.333 0.000 1.309 213 C CA 0.498 59.640 59.018 0.207 0.000 1.801 213 C CB -0.727 26.995 27.740 -0.030 0.000 2.493 213 C HN 1.242 nan 8.230 nan 0.000 0.575 214 G N 3.083 111.962 108.800 0.131 0.000 2.508 214 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 214 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 214 G C -0.050 174.751 174.900 -0.164 0.000 1.389 214 G CA -0.278 44.922 45.100 0.167 0.000 1.050 214 G HN 0.732 nan 8.290 nan 0.000 0.522 215 S N -0.914 114.701 115.700 -0.142 0.000 2.579 215 S HA 0.194 4.664 4.470 0.000 0.000 0.275 215 S C 1.853 176.311 174.600 -0.236 0.000 1.345 215 S CA 0.113 58.115 58.200 -0.330 0.000 1.031 215 S CB 1.440 64.698 63.200 0.097 0.000 0.892 215 S HN 0.806 nan 8.310 nan 0.000 0.529 216 S N 1.125 116.707 115.700 -0.198 0.000 2.481 216 S HA 0.028 4.498 4.470 0.000 0.000 0.231 216 S C 0.504 175.222 174.600 0.197 0.000 0.996 216 S CA 0.175 58.419 58.200 0.073 0.000 0.942 216 S CB -0.311 63.069 63.200 0.300 0.000 0.768 216 S HN 0.719 nan 8.310 nan 0.000 0.520 217 N N 0.198 118.953 118.700 0.092 0.000 2.710 217 N HA 0.185 4.925 4.740 0.000 0.000 0.257 217 N C -0.081 175.296 175.510 -0.223 0.000 1.140 217 N CA -0.604 52.454 53.050 0.013 0.000 0.953 217 N CB 1.321 39.863 38.487 0.091 0.000 1.664 217 N HN 0.033 nan 8.380 nan 0.000 0.497 218 R N 1.426 121.553 120.500 -0.622 0.000 2.193 218 R HA 0.058 4.398 4.340 0.000 0.000 0.229 218 R C 0.206 176.116 176.300 -0.650 0.000 1.110 218 R CA 1.284 56.667 56.100 -1.194 0.000 0.988 218 R CB 0.091 29.472 30.300 -1.532 0.000 0.871 218 R HN 0.445 nan 8.270 nan 0.000 0.458 219 N N -0.241 118.277 118.700 -0.303 0.000 2.398 219 N HA -0.000 4.740 4.740 0.000 0.000 0.188 219 N C -0.107 175.395 175.510 -0.014 0.000 1.122 219 N CA 0.314 53.289 53.050 -0.124 0.000 0.866 219 N CB 0.184 38.620 38.487 -0.085 0.000 0.970 219 N HN 0.101 nan 8.380 nan 0.000 0.462 220 M N 1.071 120.683 119.600 0.020 0.000 2.250 220 M HA 0.037 4.517 4.480 0.000 0.000 0.337 220 M C -1.026 175.342 176.300 0.113 0.000 1.161 220 M CA -1.385 53.963 55.300 0.080 0.000 1.088 220 M CB -0.286 32.353 32.600 0.065 0.000 1.639 220 M HN -0.173 nan 8.290 nan 0.000 0.447 221 P HA -0.120 nan 4.420 nan 0.000 0.217 221 P C 0.970 178.345 177.300 0.124 0.000 1.148 221 P CA 1.499 64.655 63.100 0.093 0.000 0.828 221 P CB -0.146 31.595 31.700 0.068 0.000 0.783 222 T N -5.186 109.453 114.554 0.141 0.000 3.188 222 T HA 0.104 4.455 4.350 0.000 0.000 0.250 222 T C 0.320 175.152 174.700 0.220 0.000 1.077 222 T CA -0.558 61.651 62.100 0.182 0.000 0.967 222 T CB -1.111 67.901 68.868 0.241 0.000 1.006 222 T HN -0.139 nan 8.240 nan 0.000 0.552 223 F N 2.621 122.623 119.950 0.086 0.000 2.607 223 F HA 0.387 4.914 4.527 0.000 0.000 0.374 223 F C 1.372 177.253 175.800 0.135 0.000 1.104 223 F CA 0.142 58.200 58.000 0.098 0.000 1.296 223 F CB -0.067 38.957 39.000 0.040 0.000 1.085 223 F HN 0.428 nan 8.300 nan 0.000 0.584 224 A N 3.385 125.636 122.820 -0.949 0.000 1.710 224 A HA -0.386 3.934 4.320 0.000 0.000 0.225 224 A C 2.043 179.513 177.584 -0.191 0.000 0.527 224 A CA 1.255 52.856 52.037 -0.727 0.000 1.123 224 A CB -2.312 16.259 19.000 -0.715 0.000 1.445 224 A HN 0.810 nan 8.150 nan 0.000 0.714 225 E N -0.810 119.343 120.200 -0.078 0.000 2.097 225 E HA -0.252 4.098 4.350 0.000 0.000 0.196 225 E C 1.792 178.431 176.600 0.064 0.000 1.000 225 E CA 1.703 58.113 56.400 0.016 0.000 0.804 225 E CB -0.262 29.468 29.700 0.050 0.000 0.740 225 E HN 0.891 nan 8.360 nan 0.000 0.454 226 W N 1.535 122.802 121.300 -0.055 0.000 2.333 226 W HA -0.220 4.440 4.660 0.000 0.000 0.316 226 W C 1.558 178.069 176.519 -0.013 0.000 1.215 226 W CA 1.950 59.283 57.345 -0.020 0.000 1.278 226 W CB -0.266 29.200 29.460 0.010 0.000 1.154 226 W HN 0.089 nan 8.180 nan 0.000 0.486 227 E N 0.625 120.958 120.200 0.221 0.000 2.077 227 E HA -0.142 4.208 4.350 0.000 0.000 0.193 227 E C 2.408 179.018 176.600 0.016 0.000 0.989 227 E CA 2.137 58.623 56.400 0.143 0.000 0.800 227 E CB -0.877 28.909 29.700 0.143 0.000 0.746 227 E HN 0.257 nan 8.360 nan 0.000 0.452 228 A N 0.099 122.932 122.820 0.020 0.000 1.873 228 A HA -0.172 4.148 4.320 0.000 0.000 0.215 228 A C 2.376 179.933 177.584 -0.043 0.000 1.186 228 A CA 1.971 54.038 52.037 0.050 0.000 0.616 228 A CB -0.957 18.147 19.000 0.173 0.000 0.823 228 A HN 0.256 nan 8.150 nan 0.000 0.442 229 T N -0.409 114.075 114.554 -0.117 0.000 2.746 229 T HA -0.107 4.244 4.350 0.000 0.000 0.267 229 T C 1.873 176.372 174.700 -0.335 0.000 1.039 229 T CA 1.588 63.548 62.100 -0.234 0.000 1.142 229 T CB -0.361 68.323 68.868 -0.305 0.000 0.866 229 T HN 0.132 nan 8.240 nan 0.000 0.444 230 V N 1.276 120.965 119.914 -0.375 0.000 2.358 230 V HA -0.060 4.061 4.120 0.000 0.000 0.246 230 V C 2.434 178.443 176.094 -0.141 0.000 1.047 230 V CA 1.348 63.438 62.300 -0.350 0.000 1.035 230 V CB -0.537 31.065 31.823 -0.369 0.000 0.658 230 V HN 0.431 nan 8.190 nan 0.000 0.452 231 L N -0.258 120.926 121.223 -0.064 0.000 2.093 231 L HA -0.155 4.185 4.340 0.000 0.000 0.208 231 L C 2.349 179.256 176.870 0.061 0.000 1.085 231 L CA 1.595 56.454 54.840 0.032 0.000 0.755 231 L CB -0.593 41.520 42.059 0.090 0.000 0.904 231 L HN 0.360 nan 8.230 nan 0.000 0.435 232 D N -0.465 119.933 120.400 -0.003 0.000 2.149 232 D HA -0.223 4.417 4.640 0.000 0.000 0.198 232 D C 2.063 178.439 176.300 0.127 0.000 0.990 232 D CA 1.436 55.449 54.000 0.021 0.000 0.839 232 D CB 0.062 40.871 40.800 0.015 0.000 0.948 232 D HN 0.408 nan 8.370 nan 0.000 0.460 233 H N -2.104 116.911 119.070 -0.092 0.000 2.525 233 H HA 0.070 4.626 4.556 0.000 0.000 0.275 233 H C 1.281 176.576 175.328 -0.055 0.000 0.984 233 H CA 1.384 57.376 56.048 -0.094 0.000 1.264 233 H CB 0.604 30.271 29.762 -0.158 0.000 1.432 233 H HN 0.249 nan 8.280 nan 0.000 0.549 234 T N -3.510 111.092 114.554 0.080 0.000 3.004 234 T HA -0.056 4.294 4.350 0.000 0.000 0.266 234 T C 1.504 176.244 174.700 0.065 0.000 0.986 234 T CA -0.431 61.705 62.100 0.060 0.000 0.902 234 T CB -0.510 68.335 68.868 -0.037 0.000 1.118 234 T HN 0.164 nan 8.240 nan 0.000 0.522 235 Y N 3.287 123.552 120.300 -0.059 0.000 2.062 235 Y HA -0.256 4.294 4.550 0.000 0.000 0.276 235 Y C 1.727 177.532 175.900 -0.160 0.000 1.189 235 Y CA 2.329 60.364 58.100 -0.108 0.000 1.130 235 Y CB -0.351 38.032 38.460 -0.129 0.000 0.959 235 Y HN 0.172 nan 8.280 nan 0.000 0.499 236 D N -1.750 118.628 120.400 -0.037 0.000 2.310 236 D HA -0.127 4.513 4.640 0.000 0.000 0.212 236 D C 1.300 177.315 176.300 -0.476 0.000 0.965 236 D CA 1.575 55.409 54.000 -0.276 0.000 0.879 236 D CB -0.286 40.250 40.800 -0.441 0.000 0.921 236 D HN 0.610 nan 8.370 nan 0.000 0.510 237 H N -1.401 117.602 119.070 -0.112 0.000 2.705 237 H HA 0.204 4.761 4.556 0.000 0.000 0.269 237 H C 0.575 175.810 175.328 -0.156 0.000 0.998 237 H CA -0.244 55.714 56.048 -0.150 0.000 1.193 237 H CB 0.820 30.474 29.762 -0.181 0.000 1.485 237 H HN -0.045 nan 8.280 nan 0.000 0.521 238 V N -2.673 117.177 119.914 -0.107 0.000 3.126 238 V HA 0.373 4.494 4.120 0.000 0.000 0.314 238 V C -0.221 175.728 176.094 -0.242 0.000 1.138 238 V CA -0.776 61.450 62.300 -0.124 0.000 1.034 238 V CB 2.969 34.743 31.823 -0.083 0.000 1.075 238 V HN 0.012 nan 8.190 nan 0.000 0.442 239 D N -0.739 119.526 120.400 -0.225 0.000 2.469 239 D HA 0.222 4.862 4.640 0.000 0.000 0.240 239 D C -0.716 175.127 176.300 -0.762 0.000 1.087 239 D CA 0.973 54.678 54.000 -0.492 0.000 0.876 239 D CB 1.040 41.559 40.800 -0.468 0.000 1.160 239 D HN 0.637 nan 8.370 nan 0.000 0.497 240 Y N 0.189 120.464 120.300 -0.042 0.000 2.553 240 Y HA 0.501 5.051 4.550 0.000 0.000 0.347 240 Y C -0.678 175.220 175.900 -0.003 0.000 1.019 240 Y CA -1.058 57.040 58.100 -0.002 0.000 1.032 240 Y CB 2.341 40.830 38.460 0.049 0.000 1.284 240 Y HN -0.271 nan 8.280 nan 0.000 0.466 241 I N 1.980 122.651 120.570 0.168 0.000 2.474 241 I HA 0.585 4.755 4.170 0.000 0.000 0.294 241 I C -0.348 175.826 176.117 0.095 0.000 1.005 241 I CA -0.360 61.013 61.300 0.121 0.000 1.113 241 I CB 1.256 39.306 38.000 0.085 0.000 1.289 241 I HN 0.742 nan 8.210 nan 0.000 0.436 242 S N 7.193 122.934 115.700 0.067 0.000 2.646 242 S HA 0.805 5.275 4.470 0.000 0.000 0.276 242 S C -0.789 173.716 174.600 -0.158 0.000 1.222 242 S CA -0.644 57.553 58.200 -0.005 0.000 1.014 242 S CB 1.453 64.691 63.200 0.062 0.000 0.991 242 S HN 0.432 nan 8.310 nan 0.000 0.533 243 L N 0.864 121.916 121.223 -0.285 0.000 2.393 243 L HA 0.623 4.963 4.340 0.000 0.000 0.260 243 L C -0.514 176.239 176.870 -0.194 0.000 1.002 243 L CA -0.784 53.757 54.840 -0.498 0.000 0.818 243 L CB 0.907 42.278 42.059 -1.147 0.000 1.369 243 L HN 0.894 nan 8.230 nan 0.000 0.412 244 H N 0.375 119.341 119.070 -0.173 0.000 2.679 244 H HA 0.766 5.322 4.556 0.000 0.000 0.360 244 H C -1.269 174.168 175.328 0.181 0.000 1.105 244 H CA -0.820 55.245 56.048 0.029 0.000 1.196 244 H CB 2.853 32.660 29.762 0.074 0.000 1.636 244 H HN 0.531 nan 8.280 nan 0.000 0.531 245 Q N 2.370 122.319 119.800 0.249 0.000 2.281 245 Q HA 0.307 4.648 4.340 0.000 0.000 0.263 245 Q C -2.191 173.599 176.000 -0.349 0.000 0.989 245 Q CA -0.612 55.221 55.803 0.050 0.000 0.852 245 Q CB 1.378 30.286 28.738 0.284 0.000 1.337 245 Q HN 0.524 nan 8.270 nan 0.000 0.418 246 Y N 2.252 122.518 120.300 -0.057 0.000 2.485 246 Y HA 0.676 5.226 4.550 0.000 0.000 0.345 246 Y C -0.902 174.880 175.900 -0.197 0.000 0.998 246 Y CA -0.659 57.430 58.100 -0.019 0.000 1.059 246 Y CB 1.548 40.141 38.460 0.221 0.000 1.234 246 Y HN 0.538 nan 8.280 nan 0.000 0.461 247 Y N 0.064 120.593 120.300 0.383 0.000 2.598 247 Y HA 0.853 5.404 4.550 0.000 0.000 0.340 247 Y C 0.392 176.491 175.900 0.331 0.000 1.038 247 Y CA -1.766 56.501 58.100 0.279 0.000 1.100 247 Y CB 2.393 40.969 38.460 0.194 0.000 1.281 247 Y HN 0.672 nan 8.280 nan 0.000 0.488 248 G N 0.585 109.637 108.800 0.421 0.000 2.703 248 G HA2 0.276 4.236 3.960 0.000 0.000 0.294 248 G HA3 0.276 4.236 3.960 0.000 0.000 0.294 248 G C -1.818 172.793 174.900 -0.482 0.000 1.451 248 G CA -0.914 44.098 45.100 -0.147 0.000 0.869 248 G HN 0.418 nan 8.290 nan 0.000 0.516 249 N N 0.081 117.947 118.700 -1.389 0.000 3.194 249 N HA 0.193 4.933 4.740 0.000 0.000 0.271 249 N C 1.288 176.411 175.510 -0.645 0.000 1.308 249 N CA -0.499 51.957 53.050 -0.990 0.000 1.042 249 N CB 0.564 38.293 38.487 -1.263 0.000 1.310 249 N HN 0.515 nan 8.380 nan 0.000 0.502 250 R N -0.263 119.973 120.500 -0.441 0.000 2.240 250 R HA 0.008 4.349 4.340 0.000 0.000 0.203 250 R C 0.067 176.321 176.300 -0.077 0.000 1.011 250 R CA 1.025 57.013 56.100 -0.186 0.000 1.007 250 R CB 0.311 30.541 30.300 -0.116 0.000 0.911 250 R HN 0.395 nan 8.270 nan 0.000 0.468 251 D N -1.302 119.049 120.400 -0.081 0.000 2.501 251 D HA -0.043 4.597 4.640 0.000 0.000 0.226 251 D C -0.371 175.913 176.300 -0.028 0.000 1.198 251 D CA -0.385 53.595 54.000 -0.035 0.000 0.830 251 D CB -0.515 40.274 40.800 -0.018 0.000 1.014 251 D HN -0.065 nan 8.370 nan 0.000 0.496 252 N N 0.912 119.582 118.700 -0.051 0.000 2.705 252 N HA -0.202 4.538 4.740 0.000 0.000 0.255 252 N C -1.231 174.276 175.510 -0.005 0.000 1.008 252 N CA 0.703 53.734 53.050 -0.031 0.000 0.742 252 N CB -0.752 37.733 38.487 -0.004 0.000 0.906 252 N HN 0.385 nan 8.380 nan 0.000 0.541 253 D N -0.076 120.324 120.400 -0.001 0.000 2.412 253 D HA 0.274 4.914 4.640 0.000 0.000 0.276 253 D C 1.123 177.484 176.300 0.100 0.000 1.196 253 D CA -0.329 53.701 54.000 0.050 0.000 0.905 253 D CB 0.630 41.466 40.800 0.060 0.000 1.081 253 D HN 0.115 nan 8.370 nan 0.000 0.502 254 T N 1.023 115.639 114.554 0.102 0.000 2.653 254 T HA -0.207 4.143 4.350 0.000 0.000 0.268 254 T C 1.884 176.692 174.700 0.180 0.000 1.035 254 T CA 1.941 64.142 62.100 0.168 0.000 1.154 254 T CB -0.030 68.914 68.868 0.127 0.000 0.862 254 T HN 0.507 nan 8.240 nan 0.000 0.441 255 A N 1.500 124.393 122.820 0.121 0.000 1.940 255 A HA -0.160 4.160 4.320 0.000 0.000 0.219 255 A C 2.197 179.951 177.584 0.283 0.000 1.176 255 A CA 2.056 54.169 52.037 0.128 0.000 0.631 255 A CB -0.766 18.232 19.000 -0.003 0.000 0.814 255 A HN 0.496 nan 8.150 nan 0.000 0.446 256 N N -1.931 116.912 118.700 0.238 0.000 2.250 256 N HA -0.129 4.611 4.740 0.000 0.000 0.181 256 N C 1.525 177.157 175.510 0.203 0.000 1.017 256 N CA 1.331 54.532 53.050 0.251 0.000 0.866 256 N CB -0.386 38.231 38.487 0.217 0.000 0.985 256 N HN 0.496 nan 8.380 nan 0.000 0.429 257 Y N 0.930 121.256 120.300 0.042 0.000 2.200 257 Y HA 0.025 4.575 4.550 0.000 0.000 0.290 257 Y C 1.653 177.506 175.900 -0.079 0.000 1.137 257 Y CA 1.376 59.463 58.100 -0.022 0.000 1.163 257 Y CB -0.262 38.199 38.460 0.002 0.000 0.988 257 Y HN 0.076 nan 8.280 nan 0.000 0.518 258 L N -0.513 120.680 121.223 -0.051 0.000 2.395 258 L HA -0.026 4.314 4.340 0.000 0.000 0.218 258 L C 2.408 179.149 176.870 -0.215 0.000 1.130 258 L CA 0.760 55.508 54.840 -0.153 0.000 0.826 258 L CB -0.743 41.324 42.059 0.013 0.000 0.941 258 L HN 0.275 nan 8.230 nan 0.000 0.451 259 A N -0.056 122.615 122.820 -0.250 0.000 2.167 259 A HA 0.010 4.331 4.320 0.000 0.000 0.214 259 A C 2.158 179.195 177.584 -0.912 0.000 1.151 259 A CA 0.425 52.132 52.037 -0.551 0.000 0.735 259 A CB -0.335 18.315 19.000 -0.584 0.000 0.802 259 A HN 0.348 nan 8.150 nan 0.000 0.467 260 L N 0.526 121.312 121.223 -0.729 0.000 2.261 260 L HA -0.197 4.143 4.340 0.000 0.000 0.216 260 L C 2.875 179.352 176.870 -0.655 0.000 1.114 260 L CA 1.420 55.786 54.840 -0.791 0.000 0.777 260 L CB -0.356 41.059 42.059 -1.074 0.000 0.910 260 L HN 0.627 nan 8.230 nan 0.000 0.440 261 S N -0.423 114.980 115.700 -0.496 0.000 2.447 261 S HA -0.144 4.326 4.470 0.000 0.000 0.233 261 S C 1.829 176.305 174.600 -0.208 0.000 1.006 261 S CA 0.639 58.680 58.200 -0.265 0.000 0.957 261 S CB -0.354 62.720 63.200 -0.211 0.000 0.773 261 S HN 0.242 nan 8.310 nan 0.000 0.507 262 L N 1.925 122.953 121.223 -0.326 0.000 2.131 262 L HA 0.057 4.397 4.340 0.000 0.000 0.210 262 L C 2.783 179.638 176.870 -0.025 0.000 1.092 262 L CA 1.916 56.632 54.840 -0.207 0.000 0.759 262 L CB -0.910 40.956 42.059 -0.321 0.000 0.903 262 L HN 0.462 nan 8.230 nan 0.000 0.435 263 E N -0.551 119.654 120.200 0.007 0.000 2.072 263 E HA -0.257 4.093 4.350 0.000 0.000 0.191 263 E C 2.305 179.054 176.600 0.249 0.000 0.985 263 E CA 1.021 57.551 56.400 0.218 0.000 0.801 263 E CB -0.102 29.787 29.700 0.314 0.000 0.750 263 E HN 0.433 nan 8.360 nan 0.000 0.452 264 M N 0.775 120.527 119.600 0.253 0.000 2.108 264 M HA -0.224 4.256 4.480 0.000 0.000 0.261 264 M C 1.701 178.112 176.300 0.184 0.000 1.066 264 M CA 2.244 57.745 55.300 0.334 0.000 1.107 264 M CB -0.150 32.586 32.600 0.226 0.000 1.356 264 M HN 0.063 nan 8.290 nan 0.000 0.406 265 D N -0.108 120.314 120.400 0.037 0.000 2.123 265 D HA -0.256 4.384 4.640 0.000 0.000 0.196 265 D C 1.574 177.916 176.300 0.070 0.000 0.992 265 D CA 1.975 55.938 54.000 -0.061 0.000 0.833 265 D CB -0.063 40.720 40.800 -0.029 0.000 0.954 265 D HN 0.574 nan 8.370 nan 0.000 0.455 266 D N -1.542 118.954 120.400 0.161 0.000 2.117 266 D HA -0.185 4.455 4.640 0.000 0.000 0.198 266 D C 1.789 178.268 176.300 0.298 0.000 0.982 266 D CA 0.622 54.747 54.000 0.209 0.000 0.828 266 D CB -0.219 40.697 40.800 0.195 0.000 0.967 266 D HN 0.185 nan 8.370 nan 0.000 0.464 267 F N 1.202 121.225 119.950 0.123 0.000 2.102 267 F HA -0.077 4.450 4.527 0.000 0.000 0.298 267 F C 1.894 177.786 175.800 0.153 0.000 1.105 267 F CA 1.127 59.204 58.000 0.128 0.000 1.239 267 F CB -0.795 38.258 39.000 0.087 0.000 0.991 267 F HN 0.051 nan 8.300 nan 0.000 0.474 268 I N 0.034 120.675 120.570 0.119 0.000 2.179 268 I HA -0.326 3.844 4.170 0.000 0.000 0.242 268 I C 2.665 178.874 176.117 0.154 0.000 1.088 268 I CA 1.394 62.699 61.300 0.008 0.000 1.357 268 I CB -0.492 37.475 38.000 -0.056 0.000 1.051 268 I HN 0.035 nan 8.210 nan 0.000 0.409 269 R N 0.271 120.908 120.500 0.228 0.000 2.091 269 R HA -0.147 4.194 4.340 0.000 0.000 0.238 269 R C 2.522 178.949 176.300 0.212 0.000 1.136 269 R CA 1.789 58.042 56.100 0.256 0.000 0.959 269 R CB -0.336 30.117 30.300 0.257 0.000 0.856 269 R HN 0.298 nan 8.270 nan 0.000 0.437 270 S N 0.083 115.934 115.700 0.251 0.000 2.356 270 S HA -0.106 4.364 4.470 0.000 0.000 0.223 270 S C 2.035 176.769 174.600 0.224 0.000 1.032 270 S CA 1.301 59.660 58.200 0.266 0.000 1.005 270 S CB -0.103 63.350 63.200 0.423 0.000 0.867 270 S HN 0.091 nan 8.310 nan 0.000 0.449 271 V N 1.373 121.421 119.914 0.223 0.000 2.453 271 V HA -0.083 4.037 4.120 0.000 0.000 0.247 271 V C 2.276 178.442 176.094 0.120 0.000 1.048 271 V CA 1.049 63.438 62.300 0.147 0.000 1.049 271 V CB -0.652 31.208 31.823 0.062 0.000 0.672 271 V HN 0.313 nan 8.190 nan 0.000 0.457 272 V N 0.606 120.598 119.914 0.129 0.000 2.332 272 V HA -0.302 3.819 4.120 0.000 0.000 0.248 272 V C 2.742 178.913 176.094 0.127 0.000 1.055 272 V CA 2.171 64.550 62.300 0.132 0.000 1.038 272 V CB -1.133 30.779 31.823 0.149 0.000 0.651 272 V HN 0.569 nan 8.190 nan 0.000 0.450 273 A N -0.210 122.689 122.820 0.132 0.000 1.933 273 A HA -0.186 4.134 4.320 0.000 0.000 0.218 273 A C 2.162 179.838 177.584 0.152 0.000 1.175 273 A CA 2.005 54.117 52.037 0.126 0.000 0.628 273 A CB -0.545 18.523 19.000 0.112 0.000 0.814 273 A HN 0.539 nan 8.150 nan 0.000 0.444 274 I N -0.364 120.297 120.570 0.151 0.000 2.252 274 I HA -0.244 3.926 4.170 0.000 0.000 0.245 274 I C 2.960 179.180 176.117 0.173 0.000 1.102 274 I CA 0.949 62.364 61.300 0.192 0.000 1.385 274 I CB -0.363 37.715 38.000 0.129 0.000 1.064 274 I HN 0.346 nan 8.210 nan 0.000 0.414 275 A N 0.610 123.514 122.820 0.139 0.000 1.908 275 A HA -0.240 4.080 4.320 0.000 0.000 0.218 275 A C 1.935 179.611 177.584 0.153 0.000 1.181 275 A CA 2.141 54.268 52.037 0.150 0.000 0.627 275 A CB -0.553 18.512 19.000 0.108 0.000 0.818 275 A HN 0.351 nan 8.150 nan 0.000 0.445 276 D N -1.901 118.573 120.400 0.124 0.000 2.224 276 D HA -0.091 4.549 4.640 0.000 0.000 0.205 276 D C 1.629 177.980 176.300 0.085 0.000 0.965 276 D CA 1.248 55.302 54.000 0.091 0.000 0.852 276 D CB -0.410 40.442 40.800 0.087 0.000 0.947 276 D HN 0.614 nan 8.370 nan 0.000 0.494 277 Y N 1.976 122.279 120.300 0.004 0.000 2.114 277 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 277 Y C 2.006 177.867 175.900 -0.065 0.000 1.143 277 Y CA 1.078 59.164 58.100 -0.023 0.000 1.135 277 Y CB -0.659 37.794 38.460 -0.011 0.000 0.980 277 Y HN -0.187 nan 8.280 nan 0.000 0.499 278 V N 1.433 121.050 119.914 -0.495 0.000 2.453 278 V HA -0.236 3.885 4.120 0.000 0.000 0.247 278 V C 2.509 178.212 176.094 -0.652 0.000 1.048 278 V CA 2.042 63.939 62.300 -0.672 0.000 1.049 278 V CB -0.784 30.807 31.823 -0.387 0.000 0.672 278 V HN 0.368 nan 8.190 nan 0.000 0.457 279 K N 0.641 120.713 120.400 -0.546 0.000 2.044 279 K HA -0.249 4.072 4.320 0.000 0.000 0.210 279 K C 2.159 178.537 176.600 -0.369 0.000 1.049 279 K CA 1.894 57.821 56.287 -0.599 0.000 0.927 279 K CB -0.324 32.079 32.500 -0.161 0.000 0.713 279 K HN 0.444 nan 8.250 nan 0.000 0.443 280 A N 1.248 123.940 122.820 -0.215 0.000 1.930 280 A HA -0.158 4.162 4.320 0.000 0.000 0.217 280 A C 2.029 179.526 177.584 -0.145 0.000 1.175 280 A CA 1.563 53.527 52.037 -0.122 0.000 0.627 280 A CB -0.421 18.567 19.000 -0.020 0.000 0.815 280 A HN 0.369 nan 8.150 nan 0.000 0.443 281 K N -0.274 119.997 120.400 -0.215 0.000 2.057 281 K HA -0.151 4.169 4.320 0.000 0.000 0.207 281 K C 1.324 177.795 176.600 -0.215 0.000 1.049 281 K CA 1.399 57.565 56.287 -0.203 0.000 0.931 281 K CB -0.036 32.261 32.500 -0.339 0.000 0.714 281 K HN 0.196 nan 8.250 nan 0.000 0.440 282 K N 0.613 120.824 120.400 -0.314 0.000 2.418 282 K HA 0.014 4.334 4.320 0.000 0.000 0.195 282 K C 0.152 176.626 176.600 -0.210 0.000 1.035 282 K CA 0.320 56.437 56.287 -0.282 0.000 1.003 282 K CB 0.062 32.310 32.500 -0.421 0.000 0.793 282 K HN 0.229 nan 8.250 nan 0.000 0.494 283 R N 0.828 121.214 120.500 -0.190 0.000 3.516 283 R HA -0.133 4.207 4.340 0.000 0.000 0.271 283 R C -0.007 176.217 176.300 -0.128 0.000 1.098 283 R CA 0.609 56.631 56.100 -0.130 0.000 0.732 283 R CB -2.562 27.684 30.300 -0.089 0.000 1.152 283 R HN 0.081 nan 8.270 nan 0.000 0.455 284 S N 0.184 115.775 115.700 -0.182 0.000 2.584 284 S HA 0.215 4.685 4.470 0.000 0.000 0.273 284 S C 1.259 175.822 174.600 -0.061 0.000 1.311 284 S CA -0.691 57.437 58.200 -0.121 0.000 1.034 284 S CB 0.926 64.035 63.200 -0.152 0.000 0.939 284 S HN 0.203 nan 8.310 nan 0.000 0.513 285 K N 2.280 122.665 120.400 -0.026 0.000 2.426 285 K HA 0.086 4.407 4.320 0.000 0.000 0.193 285 K C 0.467 177.068 176.600 0.001 0.000 1.028 285 K CA 0.212 56.490 56.287 -0.015 0.000 1.047 285 K CB -0.080 32.410 32.500 -0.017 0.000 0.821 285 K HN 0.509 nan 8.250 nan 0.000 0.513 286 K N 1.738 122.157 120.400 0.032 0.000 2.234 286 K HA 0.107 4.427 4.320 0.000 0.000 0.282 286 K C -0.797 175.819 176.600 0.027 0.000 1.039 286 K CA -0.001 56.291 56.287 0.009 0.000 0.928 286 K CB 0.921 33.415 32.500 -0.010 0.000 1.039 286 K HN -0.243 nan 8.250 nan 0.000 0.470 287 T N 5.070 119.559 114.554 -0.108 0.000 2.799 287 T HA 0.326 4.676 4.350 0.000 0.000 0.286 287 T C 0.066 174.508 174.700 -0.430 0.000 0.973 287 T CA -0.606 61.386 62.100 -0.181 0.000 1.035 287 T CB 0.501 69.247 68.868 -0.203 0.000 0.932 287 T HN 0.407 nan 8.240 nan 0.000 0.469 288 I N 3.583 123.937 120.570 -0.360 0.000 2.396 288 I HA 0.302 4.472 4.170 0.000 0.000 0.292 288 I C 0.559 176.478 176.117 -0.331 0.000 0.999 288 I CA -0.350 60.678 61.300 -0.453 0.000 1.310 288 I CB 0.978 38.713 38.000 -0.442 0.000 1.404 288 I HN 0.718 nan 8.210 nan 0.000 0.496 289 H N 4.619 123.623 119.070 -0.110 0.000 2.649 289 H HA 0.562 5.118 4.556 0.000 0.000 0.337 289 H C -0.882 174.559 175.328 0.189 0.000 1.282 289 H CA -0.931 55.158 56.048 0.068 0.000 1.333 289 H CB 1.658 31.503 29.762 0.140 0.000 1.787 289 H HN 0.255 nan 8.280 nan 0.000 0.632 290 L N 0.376 121.810 121.223 0.352 0.000 2.317 290 L HA 0.305 4.645 4.340 0.000 0.000 0.281 290 L C -0.058 176.919 176.870 0.178 0.000 1.024 290 L CA -0.014 54.951 54.840 0.209 0.000 0.810 290 L CB 1.842 43.966 42.059 0.108 0.000 1.240 290 L HN 0.420 nan 8.230 nan 0.000 0.427 291 S N 3.103 118.865 115.700 0.103 0.000 2.520 291 S HA 0.405 4.875 4.470 0.000 0.000 0.324 291 S C -0.414 174.234 174.600 0.081 0.000 1.069 291 S CA -0.448 57.770 58.200 0.030 0.000 1.121 291 S CB -0.156 63.022 63.200 -0.037 0.000 0.971 291 S HN 0.426 nan 8.310 nan 0.000 0.463 292 F N 4.974 124.925 119.950 0.001 0.000 2.661 292 F HA 0.181 4.709 4.527 0.000 0.000 0.356 292 F C 1.022 176.889 175.800 0.112 0.000 1.244 292 F CA -0.520 57.499 58.000 0.032 0.000 1.290 292 F CB 0.263 39.223 39.000 -0.067 0.000 1.677 292 F HN 0.680 nan 8.300 nan 0.000 0.649 293 D N 0.526 121.088 120.400 0.271 0.000 2.328 293 D HA -0.006 4.634 4.640 0.000 0.000 0.221 293 D C -0.386 175.788 176.300 -0.210 0.000 1.072 293 D CA 0.189 54.224 54.000 0.059 0.000 0.850 293 D CB -0.033 40.756 40.800 -0.018 0.000 0.922 293 D HN 0.430 nan 8.370 nan 0.000 0.516 294 E N 0.683 120.773 120.200 -0.184 0.000 2.274 294 E HA 0.368 4.718 4.350 0.000 0.000 0.269 294 E C -1.041 175.580 176.600 0.034 0.000 0.891 294 E CA -0.914 55.355 56.400 -0.217 0.000 0.784 294 E CB 1.746 31.166 29.700 -0.467 0.000 1.225 294 E HN 0.302 nan 8.360 nan 0.000 0.412 295 W N 2.927 124.130 121.300 -0.163 0.000 3.256 295 W HA 0.718 5.379 4.660 0.000 0.000 0.324 295 W C -1.406 175.030 176.519 -0.139 0.000 1.196 295 W CA -0.590 56.609 57.345 -0.242 0.000 1.206 295 W CB 1.339 30.596 29.460 -0.337 0.000 1.385 295 W HN 0.490 nan 8.180 nan 0.000 0.522 296 N N 0.175 118.900 118.700 0.042 0.000 3.836 296 N HA 0.184 4.924 4.740 0.000 0.000 0.229 296 N C -2.028 173.680 175.510 0.330 0.000 1.375 296 N CA -0.509 52.576 53.050 0.059 0.000 0.838 296 N CB 1.986 40.467 38.487 -0.010 0.000 1.447 296 N HN 0.259 nan 8.380 nan 0.000 0.458 297 V N 1.660 121.734 119.914 0.267 0.000 2.555 297 V HA 0.385 4.505 4.120 0.000 0.000 0.286 297 V C -0.552 175.905 176.094 0.605 0.000 1.044 297 V CA 0.206 62.781 62.300 0.460 0.000 1.026 297 V CB 0.542 32.609 31.823 0.406 0.000 0.981 297 V HN 0.597 nan 8.190 nan 0.000 0.480 298 W N 8.739 130.260 121.300 0.368 0.000 3.089 298 W HA 0.560 5.220 4.660 0.000 0.000 0.333 298 W C -0.784 175.887 176.519 0.253 0.000 1.053 298 W CA -1.525 55.922 57.345 0.170 0.000 1.257 298 W CB 1.250 30.646 29.460 -0.106 0.000 1.281 298 W HN 0.681 nan 8.180 nan 0.000 0.427 299 Y N 2.081 122.527 120.300 0.243 0.000 2.594 299 Y HA 0.101 4.651 4.550 0.000 0.000 0.313 299 Y C 1.437 177.438 175.900 0.168 0.000 0.920 299 Y CA 0.683 58.825 58.100 0.070 0.000 0.905 299 Y CB -0.526 37.971 38.460 0.063 0.000 1.413 299 Y HN 0.189 nan 8.280 nan 0.000 0.571 300 H N 2.125 120.811 119.070 -0.640 0.000 2.390 300 H HA -0.067 4.489 4.556 0.000 0.000 0.298 300 H C 2.051 177.240 175.328 -0.232 0.000 1.106 300 H CA 2.009 57.711 56.048 -0.576 0.000 1.297 300 H CB -0.569 28.877 29.762 -0.527 0.000 1.375 300 H HN 0.566 nan 8.280 nan 0.000 0.509 301 S N 0.123 115.827 115.700 0.006 0.000 2.631 301 S HA 0.013 4.484 4.470 0.000 0.000 0.217 301 S C 1.545 176.172 174.600 0.045 0.000 0.958 301 S CA -0.097 58.106 58.200 0.005 0.000 0.920 301 S CB 0.098 63.278 63.200 -0.033 0.000 0.776 301 S HN 0.234 nan 8.310 nan 0.000 0.517 302 N N 2.840 121.577 118.700 0.061 0.000 2.069 302 N HA -0.097 4.643 4.740 0.000 0.000 0.191 302 N C 1.681 177.202 175.510 0.018 0.000 1.031 302 N CA 1.611 54.687 53.050 0.044 0.000 0.852 302 N CB -0.370 38.118 38.487 0.002 0.000 1.018 302 N HN 0.429 nan 8.380 nan 0.000 0.423 303 E N 0.736 120.939 120.200 0.006 0.000 2.072 303 E HA -0.021 4.329 4.350 0.000 0.000 0.191 303 E C 1.913 178.508 176.600 -0.008 0.000 0.985 303 E CA 0.851 57.248 56.400 -0.004 0.000 0.801 303 E CB -0.399 29.296 29.700 -0.008 0.000 0.750 303 E HN 0.350 nan 8.360 nan 0.000 0.452 304 A N 1.663 124.476 122.820 -0.012 0.000 1.933 304 A HA -0.186 4.135 4.320 0.000 0.000 0.218 304 A C 1.769 179.344 177.584 -0.015 0.000 1.175 304 A CA 1.718 53.744 52.037 -0.018 0.000 0.628 304 A CB -0.367 18.616 19.000 -0.028 0.000 0.814 304 A HN 0.057 nan 8.150 nan 0.000 0.444 305 D N -0.079 120.318 120.400 -0.005 0.000 2.178 305 D HA -0.109 4.532 4.640 0.000 0.000 0.201 305 D C 1.740 178.042 176.300 0.002 0.000 0.980 305 D CA 1.181 55.182 54.000 0.002 0.000 0.842 305 D CB -0.272 40.549 40.800 0.035 0.000 0.948 305 D HN 0.484 nan 8.370 nan 0.000 0.472 306 K N -0.015 120.385 120.400 0.001 0.000 2.360 306 K HA -0.030 4.290 4.320 0.000 0.000 0.201 306 K C 1.691 178.281 176.600 -0.016 0.000 1.046 306 K CA 0.466 56.748 56.287 -0.008 0.000 0.940 306 K CB 0.064 32.559 32.500 -0.009 0.000 0.748 306 K HN 0.221 nan 8.250 nan 0.000 0.465 307 L N 0.752 121.965 121.223 -0.017 0.000 2.567 307 L HA 0.091 4.432 4.340 0.000 0.000 0.225 307 L C 0.335 177.190 176.870 -0.025 0.000 1.119 307 L CA -0.304 54.525 54.840 -0.019 0.000 0.871 307 L CB 0.061 42.109 42.059 -0.017 0.000 1.036 307 L HN 0.062 nan 8.230 nan 0.000 0.459 308 I N 1.387 121.940 120.570 -0.029 0.000 2.533 308 I HA 0.023 4.194 4.170 0.000 0.000 0.284 308 I C 0.853 176.937 176.117 -0.055 0.000 1.109 308 I CA 0.051 61.329 61.300 -0.036 0.000 1.412 308 I CB 0.342 38.320 38.000 -0.036 0.000 1.396 308 I HN 0.117 nan 8.210 nan 0.000 0.543 309 E N 7.939 128.109 120.200 -0.050 0.000 2.373 309 E HA 0.221 4.571 4.350 0.000 0.000 0.267 309 E C -2.028 174.494 176.600 -0.131 0.000 1.032 309 E CA -1.422 54.938 56.400 -0.066 0.000 0.889 309 E CB 0.312 29.998 29.700 -0.023 0.000 0.984 309 E HN 0.347 nan 8.360 nan 0.000 0.425 310 P HA -0.059 nan 4.420 nan 0.000 0.272 310 P C -0.544 176.544 177.300 -0.354 0.000 1.230 310 P CA -0.089 62.653 63.100 -0.597 0.000 0.788 310 P CB 0.248 31.296 31.700 -1.085 0.000 0.949 311 W N -1.959 119.372 121.300 0.053 0.000 3.382 311 W HA -0.198 4.463 4.660 0.000 0.000 0.323 311 W C 0.548 177.088 176.519 0.035 0.000 1.237 311 W CA 0.122 57.495 57.345 0.046 0.000 0.652 311 W CB -2.775 26.707 29.460 0.036 0.000 2.310 311 W HN 0.482 nan 8.180 nan 0.000 1.304 312 T N -2.340 112.311 114.554 0.161 0.000 2.881 312 T HA 0.680 5.030 4.350 0.000 0.000 0.278 312 T C 0.111 174.871 174.700 0.100 0.000 0.982 312 T CA -0.755 61.409 62.100 0.107 0.000 0.989 312 T CB 2.226 71.123 68.868 0.048 0.000 1.058 312 T HN 0.008 nan 8.240 nan 0.000 0.529 313 V N 1.906 121.852 119.914 0.053 0.000 2.432 313 V HA 0.561 4.682 4.120 0.000 0.000 0.275 313 V C 0.952 177.045 176.094 -0.001 0.000 1.043 313 V CA -0.020 62.286 62.300 0.010 0.000 0.925 313 V CB -0.145 31.650 31.823 -0.046 0.000 0.985 313 V HN 1.559 nan 8.190 nan 0.000 0.466 314 A N 5.933 128.762 122.820 0.014 0.000 2.416 314 A HA -0.096 4.224 4.320 0.000 0.000 0.293 314 A C -1.529 176.051 177.584 -0.007 0.000 1.452 314 A CA 0.110 52.163 52.037 0.028 0.000 0.738 314 A CB -1.640 17.401 19.000 0.068 0.000 1.123 314 A HN 0.654 nan 8.150 nan 0.000 0.389 315 P HA 0.295 nan 4.420 nan 0.000 0.274 315 P C -2.636 174.619 177.300 -0.075 0.000 1.231 315 P CA -1.507 61.572 63.100 -0.036 0.000 0.790 315 P CB 0.138 31.821 31.700 -0.028 0.000 0.951 316 P HA 0.198 nan 4.420 nan 0.000 0.230 316 P C -0.237 176.985 177.300 -0.130 0.000 1.791 316 P CA 0.152 63.191 63.100 -0.102 0.000 1.020 316 P CB -0.201 31.456 31.700 -0.071 0.000 1.977 317 L N 1.849 122.964 121.223 -0.179 0.000 2.375 317 L HA 0.231 4.571 4.340 0.000 0.000 0.271 317 L C 1.188 177.873 176.870 -0.307 0.000 1.107 317 L CA -0.870 53.842 54.840 -0.214 0.000 0.806 317 L CB 0.433 42.334 42.059 -0.263 0.000 1.146 317 L HN 0.008 nan 8.230 nan 0.000 0.447 318 L N 1.557 122.615 121.223 -0.275 0.000 4.040 318 L HA -0.218 4.122 4.340 0.000 0.000 0.410 318 L C 0.272 176.927 176.870 -0.358 0.000 1.187 318 L CA 0.799 55.414 54.840 -0.374 0.000 0.956 318 L CB -1.500 40.139 42.059 -0.700 0.000 2.022 318 L HN 0.641 nan 8.230 nan 0.000 0.897 319 E N 0.177 120.226 120.200 -0.251 0.000 2.122 319 E HA 0.143 4.494 4.350 0.000 0.000 0.288 319 E C 0.125 176.580 176.600 -0.242 0.000 1.260 319 E CA -0.496 55.758 56.400 -0.244 0.000 1.344 319 E CB -0.050 29.544 29.700 -0.176 0.000 1.337 319 E HN 0.317 nan 8.360 nan 0.000 0.484 320 D N 1.346 121.535 120.400 -0.352 0.000 2.488 320 D HA -0.004 4.636 4.640 0.000 0.000 0.238 320 D C -0.150 175.821 176.300 -0.548 0.000 1.138 320 D CA 0.419 54.124 54.000 -0.491 0.000 0.873 320 D CB 0.682 40.980 40.800 -0.837 0.000 1.183 320 D HN 0.200 nan 8.370 nan 0.000 0.458 321 I N 3.851 124.259 120.570 -0.269 0.000 2.328 321 I HA 0.143 4.313 4.170 0.000 0.000 0.287 321 I C -0.258 175.878 176.117 0.031 0.000 1.012 321 I CA -0.628 60.623 61.300 -0.081 0.000 1.195 321 I CB -0.239 37.812 38.000 0.084 0.000 1.350 321 I HN 0.246 nan 8.210 nan 0.000 0.464 322 Y N 5.507 125.924 120.300 0.194 0.000 2.301 322 Y HA 0.220 4.770 4.550 0.000 0.000 0.328 322 Y C 0.958 177.029 175.900 0.285 0.000 1.242 322 Y CA -0.271 57.948 58.100 0.199 0.000 1.323 322 Y CB 0.716 39.235 38.460 0.098 0.000 1.266 322 Y HN 0.629 nan 8.280 nan 0.000 0.527 323 N N 0.133 119.142 118.700 0.516 0.000 2.741 323 N HA 0.171 4.911 4.740 0.000 0.000 0.310 323 N C 0.185 175.955 175.510 0.433 0.000 1.295 323 N CA -0.716 52.588 53.050 0.423 0.000 0.893 323 N CB -0.040 38.664 38.487 0.362 0.000 1.247 323 N HN 0.470 nan 8.380 nan 0.000 0.596 324 F N 0.422 120.542 119.950 0.283 0.000 2.186 324 F HA 0.029 4.556 4.527 0.000 0.000 0.299 324 F C 1.922 177.877 175.800 0.259 0.000 1.090 324 F CA 1.676 59.834 58.000 0.263 0.000 1.307 324 F CB -0.336 38.825 39.000 0.269 0.000 1.019 324 F HN 0.774 nan 8.300 nan 0.000 0.489 325 E N -0.825 119.394 120.200 0.030 0.000 2.204 325 E HA -0.201 4.149 4.350 0.000 0.000 0.194 325 E C 1.468 178.142 176.600 0.123 0.000 0.989 325 E CA 1.357 57.741 56.400 -0.028 0.000 0.824 325 E CB -0.627 29.200 29.700 0.210 0.000 0.756 325 E HN 0.334 nan 8.360 nan 0.000 0.477 326 D N 1.623 122.186 120.400 0.271 0.000 2.117 326 D HA -0.112 4.528 4.640 0.000 0.000 0.197 326 D C 2.066 178.396 176.300 0.050 0.000 0.987 326 D CA 1.715 55.890 54.000 0.291 0.000 0.829 326 D CB -0.326 40.703 40.800 0.382 0.000 0.961 326 D HN 0.349 nan 8.370 nan 0.000 0.460 327 A N 0.673 123.500 122.820 0.011 0.000 1.933 327 A HA -0.113 4.207 4.320 0.000 0.000 0.218 327 A C 2.391 179.875 177.584 -0.168 0.000 1.175 327 A CA 0.831 52.827 52.037 -0.069 0.000 0.628 327 A CB -0.690 18.351 19.000 0.068 0.000 0.814 327 A HN 0.202 nan 8.150 nan 0.000 0.444 328 L N -1.254 119.834 121.223 -0.225 0.000 2.056 328 L HA -0.149 4.191 4.340 0.000 0.000 0.207 328 L C 2.534 179.343 176.870 -0.102 0.000 1.078 328 L CA 0.981 55.730 54.840 -0.152 0.000 0.749 328 L CB -0.489 41.444 42.059 -0.210 0.000 0.901 328 L HN 0.426 nan 8.230 nan 0.000 0.433 329 L N -0.520 120.616 121.223 -0.145 0.000 2.056 329 L HA -0.129 4.211 4.340 0.000 0.000 0.207 329 L C 2.376 179.189 176.870 -0.095 0.000 1.078 329 L CA 1.528 56.250 54.840 -0.197 0.000 0.749 329 L CB -0.414 41.408 42.059 -0.394 0.000 0.901 329 L HN -0.092 nan 8.230 nan 0.000 0.433 330 V N 0.068 119.950 119.914 -0.054 0.000 2.332 330 V HA -0.248 3.872 4.120 0.000 0.000 0.248 330 V C 2.607 178.658 176.094 -0.073 0.000 1.055 330 V CA 1.774 64.098 62.300 0.040 0.000 1.038 330 V CB -1.544 30.276 31.823 -0.005 0.000 0.651 330 V HN 0.635 nan 8.190 nan 0.000 0.450 331 G N -1.111 107.547 108.800 -0.236 0.000 2.491 331 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 331 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 331 G C 1.755 176.684 174.900 0.048 0.000 1.180 331 G CA 1.426 46.331 45.100 -0.325 0.000 0.774 331 G HN 0.542 nan 8.290 nan 0.000 0.562 332 C N 0.447 119.766 119.300 0.032 0.000 2.425 332 C HA 0.022 4.482 4.460 0.000 0.000 0.277 332 C C 3.047 177.978 174.990 -0.099 0.000 1.280 332 C CA 1.151 60.169 59.018 -0.000 0.000 1.744 332 C CB -0.895 26.807 27.740 -0.064 0.000 1.989 332 C HN 0.473 nan 8.230 nan 0.000 0.491 333 M N 0.066 119.569 119.600 -0.161 0.000 2.132 333 M HA -0.122 4.359 4.480 0.000 0.000 0.263 333 M C 2.085 178.084 176.300 -0.502 0.000 1.065 333 M CA 1.721 56.819 55.300 -0.336 0.000 1.122 333 M CB -0.448 31.955 32.600 -0.329 0.000 1.365 333 M HN 0.350 nan 8.290 nan 0.000 0.411 334 L N -0.054 120.944 121.223 -0.375 0.000 2.056 334 L HA -0.185 4.155 4.340 0.000 0.000 0.207 334 L C 2.328 179.076 176.870 -0.203 0.000 1.078 334 L CA 1.160 55.811 54.840 -0.315 0.000 0.749 334 L CB -0.494 41.480 42.059 -0.140 0.000 0.901 334 L HN 0.267 nan 8.230 nan 0.000 0.433 335 I N -0.717 119.805 120.570 -0.079 0.000 2.286 335 I HA -0.282 3.888 4.170 0.000 0.000 0.248 335 I C 2.432 178.512 176.117 -0.061 0.000 1.115 335 I CA 1.421 62.710 61.300 -0.018 0.000 1.392 335 I CB -0.452 37.600 38.000 0.088 0.000 1.065 335 I HN 0.272 nan 8.210 nan 0.000 0.418 336 T N 1.311 115.786 114.554 -0.132 0.000 2.746 336 T HA -0.114 4.236 4.350 0.000 0.000 0.267 336 T C 1.940 176.524 174.700 -0.195 0.000 1.039 336 T CA 1.190 63.193 62.100 -0.161 0.000 1.142 336 T CB -0.311 68.426 68.868 -0.219 0.000 0.866 336 T HN 0.232 nan 8.240 nan 0.000 0.444 337 L N 0.334 121.374 121.223 -0.305 0.000 2.012 337 L HA -0.138 4.203 4.340 0.000 0.000 0.210 337 L C 2.729 179.522 176.870 -0.128 0.000 1.073 337 L CA 1.501 56.171 54.840 -0.283 0.000 0.748 337 L CB -0.628 41.155 42.059 -0.461 0.000 0.891 337 L HN 0.294 nan 8.230 nan 0.000 0.431 338 M N -0.547 118.987 119.600 -0.109 0.000 2.149 338 M HA -0.233 4.247 4.480 0.000 0.000 0.261 338 M C 2.205 178.538 176.300 0.055 0.000 1.064 338 M CA 1.739 57.023 55.300 -0.026 0.000 1.102 338 M CB -0.377 32.223 32.600 -0.001 0.000 1.369 338 M HN 0.096 nan 8.290 nan 0.000 0.408 339 K N -0.775 119.684 120.400 0.099 0.000 2.280 339 K HA -0.106 4.214 4.320 0.000 0.000 0.202 339 K C 0.811 177.561 176.600 0.250 0.000 1.047 339 K CA 0.802 57.205 56.287 0.193 0.000 0.942 339 K CB -0.082 32.567 32.500 0.248 0.000 0.739 339 K HN 0.529 nan 8.250 nan 0.000 0.457 340 H N -1.275 117.795 119.070 -0.000 0.000 2.469 340 H HA 0.240 4.796 4.556 0.000 0.000 0.286 340 H C 1.066 176.388 175.328 -0.010 0.000 1.106 340 H CA -0.138 55.917 56.048 0.012 0.000 1.055 340 H CB 0.826 30.599 29.762 0.019 0.000 1.618 340 H HN 0.158 nan 8.280 nan 0.000 0.559 341 A N 1.346 124.197 122.820 0.052 0.000 2.084 341 A HA -0.225 4.095 4.320 0.000 0.000 0.221 341 A C 2.096 179.663 177.584 -0.028 0.000 1.161 341 A CA 1.806 53.841 52.037 -0.003 0.000 0.653 341 A CB -0.177 18.826 19.000 0.004 0.000 0.802 341 A HN 0.515 nan 8.150 nan 0.000 0.457 342 D N -1.074 119.315 120.400 -0.018 0.000 2.178 342 D HA -0.153 4.488 4.640 0.000 0.000 0.202 342 D C 1.602 177.874 176.300 -0.046 0.000 0.974 342 D CA 1.058 55.040 54.000 -0.031 0.000 0.841 342 D CB -0.251 40.541 40.800 -0.014 0.000 0.953 342 D HN 0.375 nan 8.370 nan 0.000 0.478 343 R N -0.364 120.141 120.500 0.009 0.000 2.453 343 R HA 0.268 4.609 4.340 0.000 0.000 0.233 343 R C -0.102 176.256 176.300 0.097 0.000 0.895 343 R CA -0.080 56.076 56.100 0.093 0.000 1.028 343 R CB 1.054 31.462 30.300 0.179 0.000 1.255 343 R HN 0.076 nan 8.270 nan 0.000 0.571 344 V N 3.423 123.377 119.914 0.067 0.000 2.333 344 V HA 0.238 4.358 4.120 0.000 0.000 0.274 344 V C 0.743 176.831 176.094 -0.011 0.000 1.028 344 V CA -0.122 62.218 62.300 0.066 0.000 0.851 344 V CB 1.700 33.566 31.823 0.072 0.000 1.000 344 V HN -0.041 nan 8.190 nan 0.000 0.456 345 K N 4.169 124.573 120.400 0.008 0.000 2.391 345 K HA 0.468 4.788 4.320 0.000 0.000 0.197 345 K C -0.000 176.543 176.600 -0.096 0.000 1.087 345 K CA 0.475 56.741 56.287 -0.035 0.000 1.012 345 K CB 1.058 33.608 32.500 0.082 0.000 0.925 345 K HN 0.518 nan 8.250 nan 0.000 0.547 346 I N 0.314 120.816 120.570 -0.113 0.000 2.686 346 I HA 0.484 4.654 4.170 0.000 0.000 0.295 346 I C -1.188 174.919 176.117 -0.016 0.000 1.114 346 I CA -1.116 60.111 61.300 -0.121 0.000 1.038 346 I CB 2.407 40.263 38.000 -0.240 0.000 1.238 346 I HN -0.173 nan 8.210 nan 0.000 0.420 347 A N 3.914 126.757 122.820 0.038 0.000 2.574 347 A HA 0.795 5.115 4.320 0.000 0.000 0.297 347 A C -1.628 176.120 177.584 0.274 0.000 1.062 347 A CA -0.443 51.709 52.037 0.192 0.000 0.686 347 A CB 1.683 20.753 19.000 0.118 0.000 1.285 347 A HN 0.724 nan 8.150 nan 0.000 0.403 348 C N 2.004 121.502 119.300 0.329 0.000 2.383 348 C HA 0.533 4.993 4.460 0.000 0.000 0.330 348 C C -0.048 174.859 174.990 -0.138 0.000 1.168 348 C CA -0.513 58.592 59.018 0.145 0.000 1.374 348 C CB 0.162 27.923 27.740 0.035 0.000 2.014 348 C HN 0.916 nan 8.230 nan 0.000 0.439 349 L N 3.874 124.852 121.223 -0.409 0.000 2.534 349 L HA 0.431 4.771 4.340 0.000 0.000 0.271 349 L C 0.491 177.039 176.870 -0.537 0.000 1.178 349 L CA 0.674 54.879 54.840 -1.057 0.000 0.907 349 L CB 0.264 41.645 42.059 -1.130 0.000 1.164 349 L HN 0.808 nan 8.230 nan 0.000 0.482 350 A N 6.461 129.026 122.820 -0.426 0.000 2.256 350 A HA 0.649 4.969 4.320 0.000 0.000 0.317 350 A C -0.295 177.152 177.584 -0.228 0.000 1.318 350 A CA -0.503 51.482 52.037 -0.087 0.000 0.894 350 A CB 0.379 19.517 19.000 0.231 0.000 1.165 350 A HN 0.849 nan 8.150 nan 0.000 0.525 351 Q N 0.962 120.554 119.800 -0.347 0.000 2.873 351 Q HA 0.419 4.759 4.340 0.000 0.000 0.297 351 Q C 0.194 175.967 176.000 -0.379 0.000 1.064 351 Q CA -1.006 54.558 55.803 -0.399 0.000 0.816 351 Q CB 1.130 29.505 28.738 -0.606 0.000 1.481 351 Q HN 0.559 nan 8.270 nan 0.000 0.488 352 L N 0.060 121.082 121.223 -0.334 0.000 2.202 352 L HA 0.190 4.530 4.340 0.000 0.000 0.205 352 L C -0.185 176.524 176.870 -0.267 0.000 1.083 352 L CA 1.188 55.861 54.840 -0.278 0.000 0.790 352 L CB 1.025 42.996 42.059 -0.147 0.000 0.942 352 L HN 0.343 nan 8.230 nan 0.000 0.452 353 V N 0.451 120.183 119.914 -0.302 0.000 2.569 353 V HA 0.350 4.470 4.120 0.000 0.000 0.301 353 V C 0.376 176.269 176.094 -0.335 0.000 1.044 353 V CA -0.375 61.746 62.300 -0.298 0.000 0.874 353 V CB 1.273 32.924 31.823 -0.287 0.000 1.002 353 V HN 0.484 nan 8.190 nan 0.000 0.424 354 N N 1.630 120.133 118.700 -0.328 0.000 1.922 354 N HA -0.205 4.535 4.740 0.000 0.000 0.219 354 N C 0.328 175.630 175.510 -0.347 0.000 0.931 354 N CA 1.564 54.422 53.050 -0.321 0.000 3.603 354 N CB -0.516 37.801 38.487 -0.283 0.000 0.737 354 N HN 0.503 nan 8.380 nan 0.000 0.353 355 V N 3.407 123.080 119.914 -0.402 0.000 2.389 355 V HA 0.240 4.360 4.120 0.000 0.000 0.264 355 V C 0.747 176.562 176.094 -0.466 0.000 1.049 355 V CA 0.396 62.404 62.300 -0.487 0.000 0.932 355 V CB 0.039 31.508 31.823 -0.590 0.000 1.011 355 V HN 0.387 nan 8.190 nan 0.000 0.475 356 I N 3.042 123.344 120.570 -0.446 0.000 3.088 356 I HA -0.209 3.961 4.170 0.000 0.000 0.126 356 I C 0.189 176.234 176.117 -0.120 0.000 0.929 356 I CA 0.790 61.925 61.300 -0.276 0.000 2.771 356 I CB -1.285 36.456 38.000 -0.431 0.000 0.874 356 I HN 0.610 nan 8.210 nan 0.000 0.349 357 A N 5.290 128.074 122.820 -0.061 0.000 2.454 357 A HA 0.918 5.238 4.320 0.000 0.000 0.302 357 A C -1.839 175.662 177.584 -0.138 0.000 1.079 357 A CA -1.301 50.621 52.037 -0.192 0.000 0.731 357 A CB 1.606 20.434 19.000 -0.286 0.000 1.299 357 A HN 0.314 nan 8.150 nan 0.000 0.413 358 P HA 0.127 nan 4.420 nan 0.000 0.236 358 P C -0.083 177.142 177.300 -0.126 0.000 1.177 358 P CA 0.875 63.873 63.100 -0.170 0.000 0.773 358 P CB 0.142 31.680 31.700 -0.270 0.000 0.878 359 I N 0.502 120.937 120.570 -0.225 0.000 2.436 359 I HA 0.331 4.502 4.170 0.000 0.000 0.289 359 I C 0.114 175.949 176.117 -0.470 0.000 1.010 359 I CA -0.757 60.360 61.300 -0.306 0.000 1.098 359 I CB 1.752 39.653 38.000 -0.164 0.000 1.266 359 I HN -0.264 nan 8.210 nan 0.000 0.434 360 M N 4.714 123.851 119.600 -0.772 0.000 2.535 360 M HA 0.521 5.001 4.480 0.000 0.000 0.314 360 M C -0.184 175.781 176.300 -0.558 0.000 1.153 360 M CA -0.581 54.247 55.300 -0.787 0.000 0.924 360 M CB 2.047 33.891 32.600 -1.260 0.000 1.710 360 M HN 0.621 nan 8.290 nan 0.000 0.451 361 T N -1.130 113.270 114.554 -0.257 0.000 2.907 361 T HA 0.726 5.076 4.350 0.000 0.000 0.292 361 T C -0.611 174.116 174.700 0.045 0.000 1.043 361 T CA -0.845 61.211 62.100 -0.074 0.000 1.003 361 T CB 2.335 71.138 68.868 -0.108 0.000 1.084 361 T HN 0.609 nan 8.240 nan 0.000 0.483 362 E N 0.786 121.055 120.200 0.115 0.000 2.207 362 E HA 0.338 4.688 4.350 0.000 0.000 0.270 362 E C -0.602 176.058 176.600 0.100 0.000 0.927 362 E CA -1.049 55.414 56.400 0.105 0.000 0.799 362 E CB 2.050 31.824 29.700 0.122 0.000 1.172 362 E HN 0.618 nan 8.360 nan 0.000 0.404 363 K N 1.941 122.384 120.400 0.071 0.000 2.451 363 K HA -0.045 4.276 4.320 0.000 0.000 0.280 363 K C -0.322 176.332 176.600 0.089 0.000 1.020 363 K CA 0.552 56.888 56.287 0.081 0.000 1.008 363 K CB -0.020 32.503 32.500 0.038 0.000 0.917 363 K HN 0.621 nan 8.250 nan 0.000 0.478 364 N N 1.031 119.810 118.700 0.131 0.000 2.708 364 N HA -0.240 4.501 4.740 0.000 0.000 0.251 364 N C -0.268 175.199 175.510 -0.073 0.000 1.123 364 N CA 0.813 53.828 53.050 -0.059 0.000 0.739 364 N CB -0.494 37.950 38.487 -0.072 0.000 1.113 364 N HN 0.775 nan 8.380 nan 0.000 0.561 365 G N -0.810 108.067 108.800 0.129 0.000 3.086 365 G HA2 0.708 4.668 3.960 0.000 0.000 0.282 365 G HA3 0.708 4.668 3.960 0.000 0.000 0.282 365 G C -2.995 172.062 174.900 0.263 0.000 1.343 365 G CA -0.735 44.446 45.100 0.135 0.000 0.895 365 G HN -0.047 nan 8.290 nan 0.000 0.557 366 P HA 0.528 nan 4.420 nan 0.000 0.278 366 P C -0.858 176.562 177.300 0.199 0.000 1.266 366 P CA -0.192 63.017 63.100 0.182 0.000 0.807 366 P CB 1.672 33.456 31.700 0.140 0.000 1.094 367 A N 1.644 124.551 122.820 0.144 0.000 2.330 367 A HA 0.786 5.107 4.320 0.000 0.000 0.327 367 A C -0.868 176.802 177.584 0.143 0.000 1.155 367 A CA -0.552 51.525 52.037 0.068 0.000 0.803 367 A CB 0.826 19.803 19.000 -0.039 0.000 1.208 367 A HN 0.671 nan 8.150 nan 0.000 0.477 368 W N 0.923 122.174 121.300 -0.082 0.000 3.029 368 W HA 0.629 5.290 4.660 0.000 0.000 0.339 368 W C -1.430 174.989 176.519 -0.167 0.000 1.198 368 W CA -1.209 56.071 57.345 -0.109 0.000 1.148 368 W CB 0.886 30.307 29.460 -0.064 0.000 1.451 368 W HN 0.574 nan 8.180 nan 0.000 0.564 369 K N 2.572 122.961 120.400 -0.018 0.000 2.253 369 K HA 0.171 4.492 4.320 0.000 0.000 0.277 369 K C 0.493 177.099 176.600 0.011 0.000 1.053 369 K CA -0.451 55.639 56.287 -0.328 0.000 0.892 369 K CB 1.644 33.694 32.500 -0.749 0.000 1.102 369 K HN 0.234 nan 8.250 nan 0.000 0.469 370 Q N 0.718 120.468 119.800 -0.084 0.000 2.535 370 Q HA -0.027 4.313 4.340 0.000 0.000 0.228 370 Q C 1.539 177.656 176.000 0.194 0.000 1.062 370 Q CA 0.398 56.290 55.803 0.149 0.000 0.967 370 Q CB 0.641 29.444 28.738 0.108 0.000 1.273 370 Q HN 0.795 nan 8.270 nan 0.000 0.554 371 T N -1.930 112.819 114.554 0.324 0.000 2.737 371 T HA -0.206 4.144 4.350 0.000 0.000 0.269 371 T C 1.780 176.621 174.700 0.235 0.000 1.040 371 T CA 1.978 64.300 62.100 0.369 0.000 1.142 371 T CB -0.571 68.534 68.868 0.396 0.000 0.861 371 T HN 0.704 nan 8.240 nan 0.000 0.456 372 I N -1.966 118.641 120.570 0.063 0.000 3.001 372 I HA 0.083 4.253 4.170 0.000 0.000 0.268 372 I C 2.395 178.450 176.117 -0.104 0.000 1.267 372 I CA 0.658 61.897 61.300 -0.102 0.000 1.472 372 I CB -0.836 36.943 38.000 -0.367 0.000 1.089 372 I HN 0.078 nan 8.210 nan 0.000 0.468 373 Y N 1.579 121.720 120.300 -0.265 0.000 2.165 373 Y HA -0.289 4.261 4.550 0.000 0.000 0.286 373 Y C 2.106 177.809 175.900 -0.329 0.000 1.155 373 Y CA 1.786 59.668 58.100 -0.363 0.000 1.164 373 Y CB -0.417 37.709 38.460 -0.557 0.000 0.978 373 Y HN 0.126 nan 8.280 nan 0.000 0.513 374 Y N 0.244 120.616 120.300 0.120 0.000 2.133 374 Y HA -0.118 4.432 4.550 0.000 0.000 0.287 374 Y C -0.185 175.486 175.900 -0.381 0.000 1.134 374 Y CA 1.370 59.417 58.100 -0.089 0.000 1.133 374 Y CB -2.264 36.203 38.460 0.012 0.000 0.987 374 Y HN 0.151 nan 8.280 nan 0.000 0.502 375 P HA -0.212 nan 4.420 nan 0.000 0.217 375 P C 1.646 178.815 177.300 -0.218 0.000 1.150 375 P CA 1.505 64.257 63.100 -0.579 0.000 0.832 375 P CB -0.296 30.652 31.700 -1.253 0.000 0.787 376 F N 0.422 120.206 119.950 -0.276 0.000 2.102 376 F HA -0.130 4.397 4.527 0.000 0.000 0.298 376 F C 2.647 178.320 175.800 -0.210 0.000 1.105 376 F CA 1.565 59.451 58.000 -0.190 0.000 1.239 376 F CB -0.682 38.171 39.000 -0.245 0.000 0.991 376 F HN -0.268 nan 8.300 nan 0.000 0.474 377 M N -0.541 118.954 119.600 -0.175 0.000 2.080 377 M HA -0.274 4.207 4.480 0.000 0.000 0.260 377 M C 2.250 178.504 176.300 -0.077 0.000 1.068 377 M CA 1.951 57.126 55.300 -0.209 0.000 1.109 377 M CB -0.576 31.927 32.600 -0.163 0.000 1.342 377 M HN 0.166 nan 8.290 nan 0.000 0.405 378 H N 0.194 119.355 119.070 0.152 0.000 2.353 378 H HA 0.004 4.560 4.556 0.000 0.000 0.300 378 H C 2.232 177.755 175.328 0.325 0.000 1.090 378 H CA 1.743 58.034 56.048 0.405 0.000 1.327 378 H CB -0.918 29.340 29.762 0.828 0.000 1.383 378 H HN 0.570 nan 8.280 nan 0.000 0.508 379 A N 0.036 122.979 122.820 0.205 0.000 1.902 379 A HA -0.186 4.134 4.320 0.000 0.000 0.217 379 A C 2.751 179.873 177.584 -0.770 0.000 1.181 379 A CA 2.023 53.907 52.037 -0.254 0.000 0.623 379 A CB -0.826 17.992 19.000 -0.303 0.000 0.818 379 A HN 0.410 nan 8.150 nan 0.000 0.443 380 S N -0.932 114.178 115.700 -0.982 0.000 2.368 380 S HA -0.099 4.371 4.470 0.000 0.000 0.224 380 S C 1.893 176.091 174.600 -0.671 0.000 1.029 380 S CA 1.586 59.039 58.200 -1.245 0.000 0.988 380 S CB -0.375 62.320 63.200 -0.842 0.000 0.838 380 S HN 0.272 nan 8.310 nan 0.000 0.462 381 V N 0.148 119.778 119.914 -0.473 0.000 2.346 381 V HA -0.016 4.105 4.120 0.000 0.000 0.244 381 V C 1.599 177.442 176.094 -0.420 0.000 1.037 381 V CA 1.437 63.450 62.300 -0.477 0.000 1.029 381 V CB -0.663 30.766 31.823 -0.658 0.000 0.663 381 V HN 0.597 nan 8.190 nan 0.000 0.454 382 Y N 0.117 120.454 120.300 0.062 0.000 2.458 382 Y HA 0.448 4.999 4.550 0.000 0.000 0.256 382 Y C 1.900 177.945 175.900 0.241 0.000 1.159 382 Y CA 0.135 58.309 58.100 0.123 0.000 1.261 382 Y CB -0.167 38.356 38.460 0.105 0.000 1.119 382 Y HN 0.201 nan 8.280 nan 0.000 0.524 383 G N 0.702 109.668 108.800 0.275 0.000 3.820 383 G HA2 0.152 4.112 3.960 0.000 0.000 0.293 383 G HA3 0.152 4.112 3.960 0.000 0.000 0.293 383 G C 0.218 175.258 174.900 0.233 0.000 1.152 383 G CA -0.434 44.858 45.100 0.320 0.000 0.921 383 G HN -0.116 nan 8.290 nan 0.000 0.544 384 R N 0.489 121.085 120.500 0.159 0.000 2.407 384 R HA 0.749 5.089 4.340 0.000 0.000 0.303 384 R C 0.477 176.841 176.300 0.107 0.000 0.981 384 R CA 0.340 56.523 56.100 0.138 0.000 0.905 384 R CB 1.417 31.763 30.300 0.076 0.000 1.099 384 R HN 0.381 nan 8.270 nan 0.000 0.459 385 G N 0.569 109.421 108.800 0.087 0.000 2.247 385 G HA2 -0.115 3.845 3.960 0.000 0.000 0.229 385 G HA3 -0.115 3.845 3.960 0.000 0.000 0.229 385 G C -1.598 173.341 174.900 0.065 0.000 1.345 385 G CA -0.787 44.336 45.100 0.038 0.000 1.100 385 G HN 0.342 nan 8.290 nan 0.000 0.473 386 V N 1.727 121.688 119.914 0.077 0.000 2.394 386 V HA 0.660 4.780 4.120 0.000 0.000 0.282 386 V C 1.012 177.206 176.094 0.166 0.000 1.031 386 V CA 0.097 62.468 62.300 0.119 0.000 0.881 386 V CB 0.890 32.800 31.823 0.146 0.000 0.982 386 V HN 1.740 nan 8.190 nan 0.000 0.451 387 A N 6.727 129.631 122.820 0.141 0.000 2.454 387 A HA 0.580 4.900 4.320 0.000 0.000 0.260 387 A C -0.256 177.429 177.584 0.169 0.000 1.106 387 A CA -0.110 52.019 52.037 0.152 0.000 0.780 387 A CB -0.083 18.988 19.000 0.119 0.000 1.044 387 A HN 0.810 nan 8.150 nan 0.000 0.498 388 L N 2.900 124.233 121.223 0.182 0.000 2.325 388 L HA 0.265 4.605 4.340 0.000 0.000 0.279 388 L C 0.917 177.904 176.870 0.194 0.000 1.054 388 L CA -0.632 54.329 54.840 0.201 0.000 0.804 388 L CB 1.033 43.210 42.059 0.197 0.000 1.200 388 L HN 0.797 nan 8.230 nan 0.000 0.436 389 H N 4.992 124.141 119.070 0.131 0.000 3.026 389 H HA 0.130 4.686 4.556 0.000 0.000 0.289 389 H C -2.227 173.140 175.328 0.065 0.000 1.022 389 H CA -1.350 54.758 56.048 0.100 0.000 1.477 389 H CB 1.020 30.861 29.762 0.131 0.000 1.510 389 H HN 0.298 nan 8.280 nan 0.000 0.535 390 P HA 0.045 nan 4.420 nan 0.000 0.281 390 P C -0.874 176.186 177.300 -0.400 0.000 1.252 390 P CA -0.429 62.513 63.100 -0.262 0.000 0.778 390 P CB 1.536 33.145 31.700 -0.153 0.000 0.895 391 V N 5.165 124.941 119.914 -0.230 0.000 2.293 391 V HA 0.313 4.433 4.120 0.000 0.000 0.275 391 V C 0.534 176.562 176.094 -0.111 0.000 1.021 391 V CA -0.627 61.566 62.300 -0.178 0.000 0.815 391 V CB 0.284 32.018 31.823 -0.149 0.000 1.025 391 V HN 0.482 nan 8.190 nan 0.000 0.448 392 I N 1.574 122.089 120.570 -0.092 0.000 2.530 392 I HA 0.848 5.018 4.170 0.000 0.000 0.297 392 I C -0.146 175.952 176.117 -0.033 0.000 1.011 392 I CA -0.406 60.862 61.300 -0.054 0.000 1.107 392 I CB 2.395 40.370 38.000 -0.042 0.000 1.285 392 I HN 0.342 nan 8.210 nan 0.000 0.436 393 S N 4.097 119.787 115.700 -0.018 0.000 2.594 393 S HA 0.701 5.171 4.470 0.000 0.000 0.322 393 S C -0.716 173.896 174.600 0.019 0.000 1.085 393 S CA -0.319 57.880 58.200 -0.001 0.000 1.116 393 S CB 0.285 63.483 63.200 -0.003 0.000 0.979 393 S HN 0.936 nan 8.310 nan 0.000 0.465 394 S N 5.180 120.901 115.700 0.035 0.000 2.542 394 S HA 0.801 5.272 4.470 0.000 0.000 0.293 394 S C -2.717 171.948 174.600 0.108 0.000 1.089 394 S CA -1.443 56.802 58.200 0.075 0.000 0.961 394 S CB 1.063 64.311 63.200 0.081 0.000 1.062 394 S HN 0.671 nan 8.310 nan 0.000 0.483 395 P HA 0.346 nan 4.420 nan 0.000 0.272 395 P C -1.219 176.260 177.300 0.298 0.000 1.240 395 P CA -0.277 62.975 63.100 0.253 0.000 0.791 395 P CB 0.295 32.175 31.700 0.300 0.000 0.978 396 K N -0.150 120.359 120.400 0.182 0.000 2.495 396 K HA 0.642 4.962 4.320 0.000 0.000 0.268 396 K C -1.182 175.343 176.600 -0.125 0.000 1.008 396 K CA -0.959 55.258 56.287 -0.116 0.000 0.882 396 K CB 1.769 34.211 32.500 -0.096 0.000 1.443 396 K HN 0.569 nan 8.250 nan 0.000 0.447 397 Y N -1.653 118.405 120.300 -0.404 0.000 2.609 397 Y HA 0.585 5.135 4.550 0.000 0.000 0.342 397 Y C -1.623 174.209 175.900 -0.113 0.000 1.058 397 Y CA -1.190 56.773 58.100 -0.227 0.000 1.055 397 Y CB 1.601 39.880 38.460 -0.301 0.000 1.292 397 Y HN 0.462 nan 8.280 nan 0.000 0.476 398 D N 1.126 121.597 120.400 0.118 0.000 2.228 398 D HA 0.542 5.182 4.640 0.000 0.000 0.247 398 D C -0.587 175.846 176.300 0.222 0.000 0.995 398 D CA -0.344 53.699 54.000 0.071 0.000 0.903 398 D CB 2.022 42.858 40.800 0.060 0.000 1.205 398 D HN 0.762 nan 8.370 nan 0.000 0.459 399 S N -0.317 115.486 115.700 0.173 0.000 2.811 399 S HA 0.341 4.811 4.470 0.000 0.000 0.311 399 S C 0.999 175.671 174.600 0.120 0.000 1.152 399 S CA -0.755 57.572 58.200 0.211 0.000 0.864 399 S CB 2.342 65.726 63.200 0.307 0.000 1.226 399 S HN 0.383 nan 8.310 nan 0.000 0.541 400 K N 0.196 120.658 120.400 0.103 0.000 2.034 400 K HA -0.203 4.117 4.320 0.000 0.000 0.214 400 K C 0.404 176.984 176.600 -0.034 0.000 1.051 400 K CA 2.442 58.751 56.287 0.038 0.000 0.931 400 K CB -0.399 32.126 32.500 0.041 0.000 0.715 400 K HN 0.662 nan 8.250 nan 0.000 0.446 401 D N -1.636 118.716 120.400 -0.080 0.000 2.398 401 D HA 0.130 4.770 4.640 0.000 0.000 0.210 401 D C -0.498 175.346 176.300 -0.759 0.000 1.094 401 D CA 0.262 54.017 54.000 -0.408 0.000 0.839 401 D CB 0.444 40.919 40.800 -0.542 0.000 0.963 401 D HN 0.019 nan 8.370 nan 0.000 0.506 402 F N 0.333 120.255 119.950 -0.046 0.000 2.599 402 F HA 0.339 4.866 4.527 0.000 0.000 0.311 402 F C 0.279 176.017 175.800 -0.104 0.000 1.076 402 F CA -1.044 56.906 58.000 -0.083 0.000 0.937 402 F CB 1.923 40.847 39.000 -0.127 0.000 1.282 402 F HN -0.387 nan 8.300 nan 0.000 0.460 403 T N -2.105 112.497 114.554 0.081 0.000 2.863 403 T HA 0.422 4.772 4.350 0.000 0.000 0.285 403 T C -0.849 173.822 174.700 -0.049 0.000 1.009 403 T CA -0.873 61.226 62.100 -0.002 0.000 0.989 403 T CB 1.690 70.557 68.868 -0.001 0.000 1.004 403 T HN 0.656 nan 8.240 nan 0.000 0.455 404 D N 0.113 120.454 120.400 -0.098 0.000 2.723 404 D HA -0.125 4.515 4.640 0.000 0.000 0.236 404 D C -0.115 176.056 176.300 -0.214 0.000 1.138 404 D CA 0.349 54.275 54.000 -0.123 0.000 0.676 404 D CB -1.678 39.087 40.800 -0.057 0.000 1.069 404 D HN 0.560 nan 8.370 nan 0.000 0.430 405 V N 1.614 121.280 119.914 -0.413 0.000 2.425 405 V HA 0.106 4.226 4.120 0.000 0.000 0.276 405 V C -1.339 174.437 176.094 -0.530 0.000 1.017 405 V CA -0.695 61.252 62.300 -0.588 0.000 1.062 405 V CB 0.386 31.533 31.823 -1.127 0.000 0.997 405 V HN 0.051 nan 8.190 nan 0.000 0.476 406 P HA 0.056 nan 4.420 nan 0.000 0.267 406 P C 0.089 177.348 177.300 -0.069 0.000 1.205 406 P CA 0.029 63.049 63.100 -0.133 0.000 0.765 406 P CB 0.617 32.285 31.700 -0.053 0.000 0.828 407 Y N 2.271 122.649 120.300 0.129 0.000 2.207 407 Y HA -0.112 4.439 4.550 0.000 0.000 0.287 407 Y C 1.551 177.518 175.900 0.112 0.000 1.156 407 Y CA 1.184 59.397 58.100 0.187 0.000 1.182 407 Y CB -0.473 38.080 38.460 0.154 0.000 0.979 407 Y HN 0.236 nan 8.280 nan 0.000 0.521 408 L N 1.294 122.645 121.223 0.213 0.000 2.265 408 L HA 0.322 4.662 4.340 0.000 0.000 0.288 408 L C -0.615 176.301 176.870 0.077 0.000 1.058 408 L CA -0.534 54.383 54.840 0.129 0.000 0.809 408 L CB 0.834 42.947 42.059 0.090 0.000 1.179 408 L HN -0.070 nan 8.230 nan 0.000 0.429 409 E N 3.326 123.574 120.200 0.080 0.000 2.129 409 E HA 0.657 5.007 4.350 0.000 0.000 0.268 409 E C -1.389 175.254 176.600 0.071 0.000 0.900 409 E CA -0.084 56.351 56.400 0.059 0.000 0.755 409 E CB 1.230 30.968 29.700 0.063 0.000 1.117 409 E HN 0.582 nan 8.360 nan 0.000 0.410 410 S N 3.986 119.716 115.700 0.051 0.000 2.537 410 S HA 0.729 5.199 4.470 0.000 0.000 0.271 410 S C -1.655 172.978 174.600 0.055 0.000 1.148 410 S CA -0.705 57.526 58.200 0.050 0.000 0.868 410 S CB 0.572 63.778 63.200 0.010 0.000 1.115 410 S HN 0.577 nan 8.310 nan 0.000 0.461 411 I N 2.119 122.747 120.570 0.097 0.000 2.918 411 I HA 0.757 4.927 4.170 0.000 0.000 0.301 411 I C -1.144 175.055 176.117 0.135 0.000 1.312 411 I CA -0.664 60.699 61.300 0.105 0.000 1.007 411 I CB 1.930 40.008 38.000 0.129 0.000 1.281 411 I HN 0.835 nan 8.210 nan 0.000 0.440 412 A N 5.762 128.637 122.820 0.092 0.000 2.324 412 A HA 0.807 5.128 4.320 0.000 0.000 0.330 412 A C -1.432 176.233 177.584 0.136 0.000 1.165 412 A CA -0.467 51.604 52.037 0.056 0.000 0.813 412 A CB 1.534 20.525 19.000 -0.014 0.000 1.197 412 A HN 0.408 nan 8.150 nan 0.000 0.484 413 V N 2.563 122.564 119.914 0.146 0.000 2.487 413 V HA 0.313 4.433 4.120 0.000 0.000 0.298 413 V C -1.231 174.971 176.094 0.180 0.000 1.028 413 V CA -0.464 61.959 62.300 0.206 0.000 0.860 413 V CB 1.374 33.381 31.823 0.307 0.000 0.991 413 V HN 0.790 nan 8.190 nan 0.000 0.427 414 Y N 5.140 125.475 120.300 0.059 0.000 2.342 414 Y HA 0.511 5.062 4.550 0.000 0.000 0.338 414 Y C -0.032 175.920 175.900 0.087 0.000 0.965 414 Y CA -1.394 56.730 58.100 0.040 0.000 1.159 414 Y CB 1.217 39.757 38.460 0.134 0.000 1.157 414 Y HN 0.666 nan 8.280 nan 0.000 0.486 415 N N 5.840 124.440 118.700 -0.167 0.000 2.609 415 N HA 0.071 4.811 4.740 0.000 0.000 0.234 415 N C 0.641 175.898 175.510 -0.421 0.000 1.001 415 N CA 0.043 52.939 53.050 -0.255 0.000 0.926 415 N CB 0.805 39.267 38.487 -0.041 0.000 1.130 415 N HN 1.031 nan 8.380 nan 0.000 0.510 416 E N 2.539 122.312 120.200 -0.711 0.000 2.106 416 E HA -0.126 4.224 4.350 0.000 0.000 0.192 416 E C 0.650 177.194 176.600 -0.094 0.000 0.984 416 E CA 1.124 57.259 56.400 -0.442 0.000 0.806 416 E CB 0.321 29.813 29.700 -0.346 0.000 0.750 416 E HN 0.612 nan 8.360 nan 0.000 0.458 417 E N 0.164 120.310 120.200 -0.090 0.000 2.153 417 E HA -0.163 4.188 4.350 0.000 0.000 0.194 417 E C 1.737 178.336 176.600 -0.002 0.000 0.988 417 E CA 0.888 57.273 56.400 -0.026 0.000 0.811 417 E CB 0.083 29.768 29.700 -0.025 0.000 0.746 417 E HN 0.173 nan 8.360 nan 0.000 0.466 418 K N 0.401 120.800 120.400 -0.002 0.000 2.393 418 K HA 0.021 4.341 4.320 0.000 0.000 0.193 418 K C -0.363 176.263 176.600 0.044 0.000 1.026 418 K CA 0.041 56.340 56.287 0.020 0.000 1.064 418 K CB 0.440 32.956 32.500 0.026 0.000 0.833 418 K HN 0.031 nan 8.250 nan 0.000 0.521 419 E N 1.506 121.766 120.200 0.099 0.000 2.210 419 E HA -0.227 4.123 4.350 0.000 0.000 0.201 419 E C -1.068 175.664 176.600 0.220 0.000 1.339 419 E CA 0.578 57.118 56.400 0.233 0.000 0.699 419 E CB -1.283 28.470 29.700 0.089 0.000 1.126 419 E HN 0.367 nan 8.360 nan 0.000 0.355 420 E N -0.356 120.015 120.200 0.285 0.000 2.288 420 E HA 0.581 4.931 4.350 0.000 0.000 0.268 420 E C -0.886 175.862 176.600 0.246 0.000 0.885 420 E CA -0.957 55.589 56.400 0.243 0.000 0.767 420 E CB 2.549 32.301 29.700 0.088 0.000 1.220 420 E HN -0.015 nan 8.360 nan 0.000 0.427 421 V N 1.922 121.874 119.914 0.065 0.000 2.487 421 V HA 0.380 4.500 4.120 0.000 0.000 0.298 421 V C -0.550 175.432 176.094 -0.187 0.000 1.028 421 V CA -0.595 61.604 62.300 -0.168 0.000 0.860 421 V CB 1.992 33.435 31.823 -0.633 0.000 0.991 421 V HN 0.694 nan 8.190 nan 0.000 0.427 422 T N 6.231 120.672 114.554 -0.190 0.000 2.779 422 T HA 0.638 4.988 4.350 0.000 0.000 0.280 422 T C -0.282 174.140 174.700 -0.464 0.000 0.987 422 T CA -0.135 61.736 62.100 -0.382 0.000 0.966 422 T CB 0.984 69.596 68.868 -0.427 0.000 0.933 422 T HN 0.388 nan 8.240 nan 0.000 0.442 423 I N 3.980 124.238 120.570 -0.520 0.000 2.307 423 I HA 0.369 4.540 4.170 0.000 0.000 0.289 423 I C -0.645 175.123 176.117 -0.583 0.000 1.021 423 I CA -0.633 60.423 61.300 -0.407 0.000 1.224 423 I CB 0.518 38.336 38.000 -0.303 0.000 1.376 423 I HN 0.510 nan 8.210 nan 0.000 0.470 424 F N 5.302 125.133 119.950 -0.199 0.000 2.404 424 F HA 0.703 5.230 4.527 0.000 0.000 0.345 424 F C 0.556 176.187 175.800 -0.281 0.000 1.110 424 F CA -0.460 57.337 58.000 -0.337 0.000 1.130 424 F CB 1.323 40.214 39.000 -0.182 0.000 1.129 424 F HN 0.437 nan 8.300 nan 0.000 0.500 425 A N 2.627 125.304 122.820 -0.239 0.000 2.459 425 A HA 0.732 5.052 4.320 0.000 0.000 0.296 425 A C -1.616 175.964 177.584 -0.007 0.000 1.039 425 A CA -0.667 51.319 52.037 -0.084 0.000 0.698 425 A CB 1.123 20.066 19.000 -0.096 0.000 1.261 425 A HN 0.489 nan 8.150 nan 0.000 0.405 426 V N 2.415 122.411 119.914 0.138 0.000 2.483 426 V HA 0.426 4.546 4.120 0.000 0.000 0.295 426 V C -0.161 176.035 176.094 0.171 0.000 1.035 426 V CA -0.753 61.680 62.300 0.221 0.000 0.896 426 V CB 1.804 33.790 31.823 0.270 0.000 0.986 426 V HN 0.874 nan 8.190 nan 0.000 0.447 427 N N 3.620 122.430 118.700 0.184 0.000 2.457 427 N HA 0.301 5.041 4.740 0.000 0.000 0.250 427 N C 0.804 176.438 175.510 0.207 0.000 0.982 427 N CA -0.368 52.790 53.050 0.181 0.000 0.941 427 N CB 0.980 39.552 38.487 0.142 0.000 1.120 427 N HN 0.491 nan 8.380 nan 0.000 0.505 428 R N 1.069 121.723 120.500 0.257 0.000 2.276 428 R HA 0.015 4.356 4.340 0.000 0.000 0.203 428 R C -0.195 176.255 176.300 0.251 0.000 1.017 428 R CA 0.132 56.385 56.100 0.255 0.000 1.010 428 R CB 0.071 30.565 30.300 0.323 0.000 0.900 428 R HN 0.570 nan 8.270 nan 0.000 0.469 429 D N 1.056 121.623 120.400 0.280 0.000 2.472 429 D HA -0.073 4.568 4.640 0.000 0.000 0.248 429 D C 0.861 177.190 176.300 0.048 0.000 1.174 429 D CA 0.435 54.497 54.000 0.104 0.000 0.883 429 D CB 0.796 41.464 40.800 -0.221 0.000 1.149 429 D HN 0.060 nan 8.370 nan 0.000 0.488 430 M N 2.384 121.997 119.600 0.022 0.000 2.562 430 M HA -0.050 4.431 4.480 0.000 0.000 0.257 430 M C 1.213 177.523 176.300 0.016 0.000 1.099 430 M CA 0.774 56.092 55.300 0.030 0.000 1.099 430 M CB 0.398 33.005 32.600 0.011 0.000 1.427 430 M HN 0.351 nan 8.290 nan 0.000 0.489 431 E N -0.568 119.621 120.200 -0.019 0.000 2.564 431 E HA 0.120 4.470 4.350 0.000 0.000 0.203 431 E C -0.218 176.360 176.600 -0.036 0.000 0.867 431 E CA 0.411 56.797 56.400 -0.024 0.000 1.250 431 E CB 0.693 30.374 29.700 -0.032 0.000 1.215 431 E HN 0.314 nan 8.360 nan 0.000 0.566 432 D N 0.954 121.306 120.400 -0.080 0.000 2.185 432 D HA 0.468 5.108 4.640 0.000 0.000 0.247 432 D C -0.224 176.036 176.300 -0.067 0.000 1.027 432 D CA -0.335 53.616 54.000 -0.083 0.000 0.861 432 D CB 1.849 42.569 40.800 -0.132 0.000 1.202 432 D HN 0.021 nan 8.370 nan 0.000 0.453 433 A N 1.255 124.056 122.820 -0.033 0.000 2.448 433 A HA 0.343 4.664 4.320 0.000 0.000 0.239 433 A C -0.451 177.113 177.584 -0.033 0.000 1.080 433 A CA -0.063 51.968 52.037 -0.011 0.000 0.779 433 A CB 0.243 19.245 19.000 0.005 0.000 1.026 433 A HN 0.441 nan 8.150 nan 0.000 0.499 434 L N 1.582 122.801 121.223 -0.007 0.000 2.349 434 L HA 0.452 4.792 4.340 0.000 0.000 0.278 434 L C -1.172 175.702 176.870 0.006 0.000 0.996 434 L CA -0.455 54.379 54.840 -0.010 0.000 0.825 434 L CB 1.626 43.692 42.059 0.012 0.000 1.243 434 L HN 0.488 nan 8.230 nan 0.000 0.412 435 L N 5.999 127.221 121.223 -0.002 0.000 2.334 435 L HA 0.313 4.653 4.340 0.000 0.000 0.286 435 L C -0.283 176.585 176.870 -0.004 0.000 1.108 435 L CA -0.164 54.675 54.840 -0.000 0.000 0.875 435 L CB 0.367 42.424 42.059 -0.003 0.000 1.246 435 L HN 0.499 nan 8.230 nan 0.000 0.439 436 L N 4.216 125.434 121.223 -0.009 0.000 2.319 436 L HA 0.276 4.616 4.340 0.000 0.000 0.280 436 L C 0.232 177.083 176.870 -0.032 0.000 1.099 436 L CA 0.424 55.251 54.840 -0.023 0.000 0.828 436 L CB 0.470 42.504 42.059 -0.042 0.000 1.150 436 L HN 0.542 nan 8.230 nan 0.000 0.442 437 E N 4.737 124.920 120.200 -0.028 0.000 2.155 437 E HA 0.340 4.690 4.350 0.000 0.000 0.264 437 E C -1.238 175.340 176.600 -0.037 0.000 0.886 437 E CA -0.623 55.758 56.400 -0.031 0.000 0.752 437 E CB 1.056 30.744 29.700 -0.021 0.000 1.133 437 E HN 0.571 nan 8.360 nan 0.000 0.414 438 C N 2.559 121.831 119.300 -0.047 0.000 2.281 438 C HA 0.249 4.709 4.460 0.000 0.000 0.325 438 C C 0.181 175.151 174.990 -0.033 0.000 1.282 438 C CA -1.068 57.921 59.018 -0.048 0.000 1.640 438 C CB 0.146 27.844 27.740 -0.071 0.000 2.288 438 C HN 0.671 nan 8.230 nan 0.000 0.507 439 D N 2.308 122.694 120.400 -0.024 0.000 2.338 439 D HA 0.221 4.861 4.640 0.000 0.000 0.255 439 D C 0.573 176.875 176.300 0.004 0.000 1.237 439 D CA 0.009 54.001 54.000 -0.014 0.000 0.883 439 D CB 0.909 41.698 40.800 -0.018 0.000 1.087 439 D HN 0.515 nan 8.370 nan 0.000 0.485 440 V N 2.002 121.925 119.914 0.015 0.000 2.915 440 V HA 0.325 4.446 4.120 0.000 0.000 0.364 440 V C 1.616 177.740 176.094 0.050 0.000 1.354 440 V CA -0.490 61.846 62.300 0.062 0.000 1.213 440 V CB -0.122 31.727 31.823 0.043 0.000 1.268 440 V HN 0.346 nan 8.190 nan 0.000 0.557 441 R N 1.725 122.228 120.500 0.005 0.000 2.117 441 R HA -0.129 4.211 4.340 0.000 0.000 0.243 441 R C 2.418 178.672 176.300 -0.076 0.000 1.143 441 R CA 1.900 57.987 56.100 -0.021 0.000 0.968 441 R CB -0.389 29.895 30.300 -0.027 0.000 0.863 441 R HN 0.814 nan 8.270 nan 0.000 0.444 442 S N -0.211 115.392 115.700 -0.162 0.000 2.547 442 S HA -0.048 4.423 4.470 0.000 0.000 0.235 442 S C 0.502 174.710 174.600 -0.654 0.000 0.980 442 S CA 0.500 58.470 58.200 -0.384 0.000 0.941 442 S CB -0.027 62.884 63.200 -0.482 0.000 0.763 442 S HN 0.142 nan 8.310 nan 0.000 0.532 443 F N 2.073 121.887 119.950 -0.227 0.000 2.366 443 F HA 0.466 4.993 4.527 0.000 0.000 0.357 443 F C 0.350 176.131 175.800 -0.031 0.000 1.107 443 F CA -1.040 56.755 58.000 -0.341 0.000 1.208 443 F CB 0.584 39.115 39.000 -0.782 0.000 1.464 443 F HN 0.081 nan 8.300 nan 0.000 0.501 444 E N 2.190 122.486 120.200 0.160 0.000 2.384 444 E HA 0.005 4.355 4.350 0.000 0.000 0.266 444 E C 0.208 176.972 176.600 0.272 0.000 1.012 444 E CA 0.662 57.163 56.400 0.168 0.000 0.901 444 E CB 0.312 30.065 29.700 0.089 0.000 0.967 444 E HN 0.510 nan 8.360 nan 0.000 0.435 445 D N 1.616 122.125 120.400 0.182 0.000 3.079 445 D HA -0.251 4.389 4.640 0.000 0.000 0.214 445 D C -0.857 175.507 176.300 0.106 0.000 1.145 445 D CA 0.794 54.864 54.000 0.117 0.000 0.958 445 D CB -1.532 39.305 40.800 0.061 0.000 1.117 445 D HN 0.374 nan 8.370 nan 0.000 0.416 446 Y N 1.111 121.436 120.300 0.043 0.000 2.359 446 Y HA 0.252 4.802 4.550 0.000 0.000 0.330 446 Y C 1.619 177.510 175.900 -0.015 0.000 1.143 446 Y CA -0.065 58.042 58.100 0.013 0.000 1.318 446 Y CB 0.756 39.218 38.460 0.005 0.000 1.234 446 Y HN -0.006 nan 8.280 nan 0.000 0.522 447 R N 0.951 121.466 120.500 0.026 0.000 2.854 447 R HA 0.780 5.120 4.340 0.000 0.000 0.271 447 R C -1.691 174.598 176.300 -0.017 0.000 0.996 447 R CA -1.030 55.069 56.100 -0.002 0.000 0.961 447 R CB 0.937 31.215 30.300 -0.036 0.000 1.182 447 R HN 0.358 nan 8.270 nan 0.000 0.479 448 V N 3.477 123.371 119.914 -0.033 0.000 2.521 448 V HA 0.027 4.147 4.120 0.000 0.000 0.286 448 V C 1.431 177.485 176.094 -0.067 0.000 1.034 448 V CA 0.183 62.447 62.300 -0.060 0.000 1.045 448 V CB 0.666 32.453 31.823 -0.060 0.000 0.974 448 V HN 0.737 nan 8.190 nan 0.000 0.480 449 I N 2.975 123.491 120.570 -0.089 0.000 2.512 449 I HA 0.149 4.319 4.170 0.000 0.000 0.247 449 I C 0.933 176.993 176.117 -0.095 0.000 1.094 449 I CA 0.690 61.935 61.300 -0.091 0.000 1.427 449 I CB 0.252 38.187 38.000 -0.108 0.000 1.149 449 I HN 0.867 nan 8.210 nan 0.000 0.438 450 E N -0.309 119.818 120.200 -0.122 0.000 2.416 450 E HA 0.269 4.620 4.350 0.000 0.000 0.280 450 E C -1.068 175.478 176.600 -0.091 0.000 1.055 450 E CA -0.804 55.531 56.400 -0.108 0.000 0.825 450 E CB 1.528 31.151 29.700 -0.128 0.000 1.312 450 E HN 0.168 nan 8.360 nan 0.000 0.452 451 H N 1.750 120.700 119.070 -0.201 0.000 2.991 451 H HA 0.429 4.985 4.556 0.000 0.000 0.304 451 H C -1.009 174.190 175.328 -0.214 0.000 1.040 451 H CA -0.851 55.068 56.048 -0.216 0.000 1.410 451 H CB 0.723 30.380 29.762 -0.177 0.000 1.529 451 H HN 0.427 nan 8.280 nan 0.000 0.509 452 I N 5.446 126.012 120.570 -0.007 0.000 2.472 452 I HA 0.233 4.403 4.170 0.000 0.000 0.290 452 I C -0.341 175.798 176.117 0.036 0.000 1.016 452 I CA -0.815 60.446 61.300 -0.064 0.000 1.348 452 I CB 1.604 39.502 38.000 -0.170 0.000 1.417 452 I HN 0.271 nan 8.210 nan 0.000 0.521 453 V N 6.600 126.576 119.914 0.103 0.000 2.686 453 V HA 0.365 4.485 4.120 0.000 0.000 0.306 453 V C -0.711 175.626 176.094 0.404 0.000 1.065 453 V CA -0.611 61.836 62.300 0.246 0.000 0.894 453 V CB 2.215 34.158 31.823 0.201 0.000 1.004 453 V HN 0.424 nan 8.190 nan 0.000 0.424 454 L N 5.557 127.065 121.223 0.474 0.000 2.298 454 L HA 0.766 5.106 4.340 0.000 0.000 0.284 454 L C -0.242 176.880 176.870 0.419 0.000 1.013 454 L CA 0.361 55.471 54.840 0.449 0.000 0.824 454 L CB 1.166 43.613 42.059 0.646 0.000 1.221 454 L HN 0.901 nan 8.230 nan 0.000 0.418 455 E N 3.225 123.442 120.200 0.029 0.000 2.390 455 E HA 0.488 4.838 4.350 0.000 0.000 0.277 455 E C -1.593 174.633 176.600 -0.623 0.000 0.939 455 E CA -0.983 55.288 56.400 -0.215 0.000 0.769 455 E CB 2.041 31.748 29.700 0.013 0.000 1.251 455 E HN 0.679 nan 8.360 nan 0.000 0.450 456 H N 0.662 119.095 119.070 -1.061 0.000 3.086 456 H HA 0.039 4.595 4.556 0.000 0.000 0.353 456 H C -0.590 174.564 175.328 -0.291 0.000 1.134 456 H CA -0.544 55.119 56.048 -0.641 0.000 1.248 456 H CB 1.867 31.226 29.762 -0.671 0.000 1.878 456 H HN 0.800 nan 8.280 nan 0.000 0.527 457 D N 1.911 122.158 120.400 -0.256 0.000 2.264 457 D HA -0.159 4.481 4.640 0.000 0.000 0.208 457 D C 0.326 176.523 176.300 -0.173 0.000 0.966 457 D CA 0.663 54.560 54.000 -0.171 0.000 0.864 457 D CB 0.215 40.936 40.800 -0.131 0.000 0.933 457 D HN 0.181 nan 8.370 nan 0.000 0.499 458 N N 0.238 118.724 118.700 -0.357 0.000 2.469 458 N HA 0.096 4.836 4.740 0.000 0.000 0.253 458 N C 1.076 176.624 175.510 0.063 0.000 0.970 458 N CA -0.416 52.541 53.050 -0.155 0.000 0.940 458 N CB 1.952 40.303 38.487 -0.226 0.000 1.128 458 N HN -0.039 nan 8.380 nan 0.000 0.503 459 V N 1.841 121.872 119.914 0.194 0.000 2.626 459 V HA -0.015 4.105 4.120 0.000 0.000 0.252 459 V C 1.363 177.631 176.094 0.290 0.000 1.067 459 V CA 1.203 63.709 62.300 0.342 0.000 1.081 459 V CB -0.433 31.540 31.823 0.251 0.000 0.686 459 V HN 0.422 nan 8.190 nan 0.000 0.468 460 K N 0.457 120.966 120.400 0.182 0.000 2.444 460 K HA 0.180 4.500 4.320 0.000 0.000 0.193 460 K C 0.915 177.611 176.600 0.160 0.000 1.024 460 K CA 0.027 56.404 56.287 0.150 0.000 1.077 460 K CB -0.150 32.394 32.500 0.072 0.000 0.833 460 K HN 0.622 nan 8.250 nan 0.000 0.517 461 Q N 2.213 122.132 119.800 0.199 0.000 2.311 461 Q HA 0.003 4.344 4.340 0.000 0.000 0.272 461 Q C -0.262 175.901 176.000 0.272 0.000 1.012 461 Q CA 0.277 56.215 55.803 0.225 0.000 0.891 461 Q CB 0.632 29.576 28.738 0.343 0.000 1.201 461 Q HN 0.280 nan 8.270 nan 0.000 0.391 462 T N 1.306 115.981 114.554 0.202 0.000 2.948 462 T HA 0.617 4.967 4.350 0.000 0.000 0.285 462 T C -0.035 174.767 174.700 0.171 0.000 1.019 462 T CA -0.992 61.239 62.100 0.218 0.000 1.013 462 T CB 1.038 70.009 68.868 0.171 0.000 1.117 462 T HN 0.509 nan 8.240 nan 0.000 0.533 463 N N 0.274 119.105 118.700 0.219 0.000 2.478 463 N HA 0.750 5.490 4.740 0.000 0.000 0.275 463 N C -0.390 175.008 175.510 -0.186 0.000 1.221 463 N CA -0.574 52.547 53.050 0.118 0.000 0.979 463 N CB 1.691 40.362 38.487 0.307 0.000 1.202 463 N HN 0.986 nan 8.380 nan 0.000 0.564 464 S N -2.220 113.079 115.700 -0.668 0.000 2.672 464 S HA 0.605 5.075 4.470 0.000 0.000 0.271 464 S C 0.354 173.985 174.600 -1.615 0.000 1.171 464 S CA -0.228 57.130 58.200 -1.405 0.000 0.817 464 S CB 0.631 63.452 63.200 -0.631 0.000 1.150 464 S HN 0.459 nan 8.310 nan 0.000 0.478 465 A N 0.397 122.248 122.820 -1.615 0.000 2.019 465 A HA -0.002 4.318 4.320 0.000 0.000 0.219 465 A C 1.970 179.301 177.584 -0.422 0.000 1.164 465 A CA 1.432 52.910 52.037 -0.931 0.000 0.644 465 A CB -0.801 17.927 19.000 -0.453 0.000 0.805 465 A HN 0.755 nan 8.150 nan 0.000 0.449 466 Q N -0.571 119.005 119.800 -0.374 0.000 2.376 466 Q HA 0.096 4.437 4.340 0.000 0.000 0.206 466 Q C 0.029 175.931 176.000 -0.164 0.000 0.921 466 Q CA 0.891 56.569 55.803 -0.208 0.000 0.911 466 Q CB 0.243 28.879 28.738 -0.170 0.000 1.032 466 Q HN 0.743 nan 8.270 nan 0.000 0.510 467 S N -1.193 114.390 115.700 -0.196 0.000 2.586 467 S HA 0.386 4.856 4.470 0.000 0.000 0.277 467 S C -1.020 173.515 174.600 -0.109 0.000 1.131 467 S CA -0.880 57.248 58.200 -0.120 0.000 0.848 467 S CB 1.744 64.891 63.200 -0.088 0.000 1.091 467 S HN -0.090 nan 8.310 nan 0.000 0.453 468 S N 2.702 118.372 115.700 -0.049 0.000 2.252 468 S HA 0.439 4.909 4.470 0.000 0.000 0.187 468 S C -1.975 172.597 174.600 -0.047 0.000 1.587 468 S CA -1.097 57.103 58.200 -0.000 0.000 1.215 468 S CB 1.112 64.363 63.200 0.084 0.000 1.085 468 S HN 0.683 nan 8.310 nan 0.000 0.466 469 P HA -0.014 nan 4.420 nan 0.000 0.222 469 P C 0.126 177.191 177.300 -0.392 0.000 1.147 469 P CA 0.682 63.658 63.100 -0.207 0.000 0.790 469 P CB 0.052 31.668 31.700 -0.141 0.000 0.780 470 V N 2.492 122.273 119.914 -0.221 0.000 2.270 470 V HA 0.233 4.353 4.120 0.000 0.000 0.263 470 V C 0.356 176.381 176.094 -0.115 0.000 1.066 470 V CA -0.518 61.666 62.300 -0.193 0.000 0.857 470 V CB 0.819 32.683 31.823 0.068 0.000 1.099 470 V HN -0.052 nan 8.190 nan 0.000 0.476 471 V N 3.311 123.066 119.914 -0.266 0.000 3.049 471 V HA 0.777 4.898 4.120 0.000 0.000 0.309 471 V C -2.934 172.973 176.094 -0.311 0.000 1.148 471 V CA -2.657 59.371 62.300 -0.454 0.000 0.990 471 V CB 2.231 33.870 31.823 -0.307 0.000 1.039 471 V HN 0.494 nan 8.190 nan 0.000 0.430 472 P HA 0.447 nan 4.420 nan 0.000 0.272 472 P C -0.989 176.380 177.300 0.115 0.000 1.230 472 P CA 0.212 63.343 63.100 0.051 0.000 0.788 472 P CB 0.147 31.989 31.700 0.236 0.000 0.949 473 H N -1.450 117.621 119.070 0.002 0.000 2.908 473 H HA 0.637 5.193 4.556 0.000 0.000 0.350 473 H C -0.233 175.079 175.328 -0.027 0.000 1.217 473 H CA -1.178 54.858 56.048 -0.020 0.000 1.168 473 H CB 1.584 31.320 29.762 -0.044 0.000 1.891 473 H HN 0.115 nan 8.280 nan 0.000 0.566 474 R N 0.128 120.511 120.500 -0.194 0.000 2.652 474 R HA 0.182 4.522 4.340 0.000 0.000 0.372 474 R C -0.247 175.820 176.300 -0.389 0.000 1.104 474 R CA -0.279 55.671 56.100 -0.251 0.000 1.072 474 R CB 0.206 30.441 30.300 -0.108 0.000 1.367 474 R HN 0.540 nan 8.270 nan 0.000 0.577 475 N N 0.523 118.775 118.700 -0.746 0.000 2.322 475 N HA 0.025 4.766 4.740 0.000 0.000 0.216 475 N C 0.415 175.617 175.510 -0.512 0.000 1.144 475 N CA 0.130 52.857 53.050 -0.538 0.000 0.830 475 N CB 0.889 39.130 38.487 -0.411 0.000 1.034 475 N HN 0.225 nan 8.380 nan 0.000 0.484 476 G N 0.920 109.326 108.800 -0.657 0.000 2.491 476 G HA2 0.035 3.995 3.960 0.000 0.000 0.242 476 G HA3 0.035 3.995 3.960 0.000 0.000 0.242 476 G C 0.567 175.256 174.900 -0.350 0.000 1.266 476 G CA -0.290 44.240 45.100 -0.951 0.000 0.844 476 G HN 0.192 nan 8.290 nan 0.000 0.571 477 D N 0.263 120.594 120.400 -0.115 0.000 2.342 477 D HA 0.254 4.894 4.640 0.000 0.000 0.221 477 D C 1.271 177.629 176.300 0.096 0.000 1.101 477 D CA -0.017 53.990 54.000 0.012 0.000 0.837 477 D CB -0.081 40.715 40.800 -0.007 0.000 0.938 477 D HN 0.484 nan 8.370 nan 0.000 0.508 478 A N 1.036 124.003 122.820 0.246 0.000 2.565 478 A HA 0.340 4.660 4.320 0.000 0.000 0.237 478 A C 0.394 177.979 177.584 0.003 0.000 1.053 478 A CA 0.176 52.247 52.037 0.057 0.000 0.755 478 A CB -0.024 18.915 19.000 -0.102 0.000 0.980 478 A HN 0.510 nan 8.150 nan 0.000 0.506 479 Q N 1.626 121.414 119.800 -0.020 0.000 2.377 479 Q HA 0.643 4.983 4.340 0.000 0.000 0.279 479 Q C -1.686 174.299 176.000 -0.025 0.000 1.049 479 Q CA -1.083 54.707 55.803 -0.021 0.000 0.825 479 Q CB 1.281 30.012 28.738 -0.012 0.000 1.401 479 Q HN 0.467 nan 8.270 nan 0.000 0.404 480 L N 1.699 122.910 121.223 -0.019 0.000 2.307 480 L HA 0.682 5.023 4.340 0.000 0.000 0.282 480 L C -0.824 176.043 176.870 -0.006 0.000 1.051 480 L CA 0.463 55.296 54.840 -0.011 0.000 0.804 480 L CB 1.505 43.564 42.059 0.000 0.000 1.197 480 L HN 0.913 nan 8.230 nan 0.000 0.431 481 S N 3.253 118.950 115.700 -0.004 0.000 2.626 481 S HA 0.267 4.737 4.470 0.000 0.000 0.275 481 S C -0.803 173.796 174.600 -0.000 0.000 1.175 481 S CA -0.652 57.546 58.200 -0.002 0.000 0.982 481 S CB 0.512 63.709 63.200 -0.005 0.000 1.093 481 S HN 0.720 nan 8.310 nan 0.000 0.472 482 D N 3.678 124.080 120.400 0.003 0.000 2.802 482 D HA -0.182 4.459 4.640 0.000 0.000 0.229 482 D C 0.286 176.589 176.300 0.005 0.000 1.203 482 D CA 1.495 55.498 54.000 0.004 0.000 0.712 482 D CB -0.785 40.015 40.800 0.001 0.000 0.973 482 D HN 0.905 nan 8.370 nan 0.000 0.407 483 R N -1.815 118.692 120.500 0.012 0.000 3.770 483 R HA -0.251 4.090 4.340 0.000 0.000 0.305 483 R C 0.325 176.629 176.300 0.007 0.000 1.184 483 R CA 1.397 57.506 56.100 0.015 0.000 0.823 483 R CB -1.691 28.616 30.300 0.011 0.000 1.285 483 R HN 0.521 nan 8.270 nan 0.000 0.499 484 K N 0.928 121.328 120.400 0.000 0.000 2.507 484 K HA 0.360 4.680 4.320 0.000 0.000 0.251 484 K C -0.730 175.859 176.600 -0.019 0.000 0.943 484 K CA -0.570 55.710 56.287 -0.011 0.000 0.794 484 K CB 2.121 34.614 32.500 -0.012 0.000 1.188 484 K HN -0.053 nan 8.250 nan 0.000 0.428 485 V N 3.366 123.260 119.914 -0.034 0.000 2.385 485 V HA 0.223 4.343 4.120 0.000 0.000 0.269 485 V C -0.360 175.702 176.094 -0.053 0.000 1.043 485 V CA -0.355 61.914 62.300 -0.051 0.000 0.906 485 V CB 1.230 33.003 31.823 -0.083 0.000 0.995 485 V HN 0.733 nan 8.190 nan 0.000 0.467 486 S N 4.213 119.888 115.700 -0.042 0.000 2.451 486 S HA 0.847 5.317 4.470 0.000 0.000 0.301 486 S C 0.005 174.584 174.600 -0.034 0.000 1.116 486 S CA -0.461 57.719 58.200 -0.034 0.000 1.093 486 S CB 1.632 64.821 63.200 -0.019 0.000 1.017 486 S HN 1.025 nan 8.310 nan 0.000 0.482 487 A N 2.503 125.301 122.820 -0.036 0.000 2.486 487 A HA 0.738 5.059 4.320 0.000 0.000 0.300 487 A C -0.331 177.270 177.584 0.029 0.000 1.048 487 A CA -0.802 51.230 52.037 -0.009 0.000 0.696 487 A CB 1.152 20.072 19.000 -0.134 0.000 1.278 487 A HN 0.565 nan 8.150 nan 0.000 0.405 488 T N 2.906 117.510 114.554 0.083 0.000 2.771 488 T HA 0.497 4.847 4.350 0.000 0.000 0.291 488 T C -0.208 174.566 174.700 0.124 0.000 0.954 488 T CA 0.055 62.199 62.100 0.072 0.000 1.045 488 T CB 0.028 68.925 68.868 0.048 0.000 0.917 488 T HN 0.411 nan 8.240 nan 0.000 0.484 489 L N 6.027 127.304 121.223 0.089 0.000 2.277 489 L HA 0.367 4.707 4.340 0.000 0.000 0.284 489 L C -2.279 174.649 176.870 0.096 0.000 1.028 489 L CA -2.411 52.497 54.840 0.113 0.000 0.835 489 L CB 0.871 42.980 42.059 0.084 0.000 1.215 489 L HN 0.289 nan 8.230 nan 0.000 0.425 490 P HA -0.033 nan 4.420 nan 0.000 0.269 490 P C -0.663 176.702 177.300 0.109 0.000 1.217 490 P CA -0.396 62.761 63.100 0.095 0.000 0.783 490 P CB 0.366 32.130 31.700 0.107 0.000 0.898 491 K N 2.573 123.023 120.400 0.085 0.000 2.527 491 K HA 0.006 4.326 4.320 0.000 0.000 0.278 491 K C -0.231 176.471 176.600 0.171 0.000 0.981 491 K CA -0.269 56.075 56.287 0.094 0.000 1.009 491 K CB -0.528 32.007 32.500 0.058 0.000 0.895 491 K HN 0.345 nan 8.250 nan 0.000 0.493 492 L N 1.319 122.657 121.223 0.192 0.000 3.943 492 L HA -0.291 4.049 4.340 0.000 0.000 0.529 492 L C -0.424 176.694 176.870 0.413 0.000 1.173 492 L CA 0.807 55.810 54.840 0.272 0.000 0.737 492 L CB -1.971 40.275 42.059 0.311 0.000 1.321 492 L HN 0.952 nan 8.230 nan 0.000 0.794 493 S N -0.182 115.728 115.700 0.349 0.000 2.570 493 S HA 0.697 5.167 4.470 0.000 0.000 0.286 493 S C -0.945 173.919 174.600 0.439 0.000 1.099 493 S CA -0.905 57.557 58.200 0.437 0.000 0.913 493 S CB 2.627 66.016 63.200 0.314 0.000 1.085 493 S HN 0.428 nan 8.310 nan 0.000 0.480 494 W N 3.086 124.573 121.300 0.311 0.000 2.429 494 W HA 0.507 5.168 4.660 0.000 0.000 0.314 494 W C -1.659 175.030 176.519 0.283 0.000 1.062 494 W CA -0.551 56.959 57.345 0.275 0.000 1.211 494 W CB 1.204 30.847 29.460 0.305 0.000 1.305 494 W HN 0.769 nan 8.180 nan 0.000 0.476 495 N N 4.462 122.945 118.700 -0.363 0.000 2.258 495 N HA 0.407 5.147 4.740 0.000 0.000 0.299 495 N C -1.605 173.533 175.510 -0.621 0.000 1.047 495 N CA -0.605 52.267 53.050 -0.296 0.000 0.814 495 N CB 2.824 41.271 38.487 -0.066 0.000 1.413 495 N HN 0.126 nan 8.380 nan 0.000 0.478 496 V N 3.025 122.674 119.914 -0.442 0.000 2.349 496 V HA 0.437 4.557 4.120 0.000 0.000 0.284 496 V C -0.011 175.807 176.094 -0.459 0.000 1.014 496 V CA -0.590 61.384 62.300 -0.542 0.000 0.826 496 V CB 1.048 32.581 31.823 -0.483 0.000 1.009 496 V HN 0.549 nan 8.190 nan 0.000 0.431 497 I N 5.523 125.770 120.570 -0.538 0.000 2.306 497 I HA 0.461 4.631 4.170 0.000 0.000 0.288 497 I C 0.398 176.261 176.117 -0.424 0.000 1.036 497 I CA -0.278 60.733 61.300 -0.482 0.000 1.221 497 I CB 0.751 38.430 38.000 -0.536 0.000 1.385 497 I HN 0.461 nan 8.210 nan 0.000 0.472 498 R N 7.074 127.354 120.500 -0.367 0.000 2.265 498 R HA 0.693 5.033 4.340 0.000 0.000 0.319 498 R C -0.967 175.210 176.300 -0.204 0.000 1.006 498 R CA -0.622 55.282 56.100 -0.327 0.000 0.880 498 R CB 1.362 31.429 30.300 -0.388 0.000 1.077 498 R HN 0.521 nan 8.270 nan 0.000 0.454 499 L N 1.187 122.323 121.223 -0.145 0.000 2.333 499 L HA 0.842 5.182 4.340 0.000 0.000 0.269 499 L C 0.449 177.344 176.870 0.041 0.000 1.010 499 L CA -0.979 53.840 54.840 -0.036 0.000 0.818 499 L CB 2.222 44.283 42.059 0.002 0.000 1.306 499 L HN 0.759 nan 8.230 nan 0.000 0.430 500 G N 0.412 109.200 108.800 -0.021 0.000 2.646 500 G HA2 0.567 4.528 3.960 0.000 0.000 0.291 500 G HA3 0.567 4.528 3.960 0.000 0.000 0.291 500 G C -1.550 172.987 174.900 -0.604 0.000 1.445 500 G CA -0.387 44.554 45.100 -0.264 0.000 0.814 500 G HN 0.610 nan 8.290 nan 0.000 0.495 501 K N 0.000 119.909 120.400 -0.818 0.000 2.780 501 K HA 0.000 4.320 4.320 0.000 0.000 0.191 501 K CA 0.000 55.934 56.287 -0.588 0.000 0.838 501 K CB 0.000 32.319 32.500 -0.302 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543