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 3d3i_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYXKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTXG DATA SEQUENCE GFPGVALLTE EYINFXASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEXTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ XQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA XAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVXE DATA SEQUENCE VYNVTQDKTW VAEXYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEXLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYXYSDN HYLAEXATIL GKPEEAKRYR QLAQQLADYI NTcXFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE XLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGXERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYX DATA SEQUENCE LYNDFFRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.663 177.584 0.131 0.000 1.274 2 A CA 0.000 52.179 52.037 0.237 0.000 0.836 2 A CB 0.000 19.113 19.000 0.188 0.000 0.831 3 D N 1.265 121.689 120.400 0.040 0.000 2.350 3 D HA -0.065 4.577 4.640 0.003 0.000 0.216 3 D C 0.734 176.945 176.300 -0.149 0.000 0.968 3 D CA 0.663 54.643 54.000 -0.033 0.000 0.894 3 D CB -0.076 40.707 40.800 -0.028 0.000 0.909 3 D HN 0.465 nan 8.370 nan 0.000 0.520 4 N N 0.080 118.615 118.700 -0.275 0.000 2.461 4 N HA -0.076 4.666 4.740 0.003 0.000 0.188 4 N C -0.364 174.694 175.510 -0.754 0.000 1.134 4 N CA 0.309 53.031 53.050 -0.546 0.000 0.878 4 N CB 0.263 38.310 38.487 -0.733 0.000 0.972 4 N HN 0.292 nan 8.380 nan 0.000 0.456 5 Y N 0.759 121.056 120.300 -0.005 0.000 2.584 5 Y HA 0.350 4.902 4.550 0.004 0.000 0.358 5 Y C -0.090 175.803 175.900 -0.011 0.000 1.028 5 Y CA -0.785 57.316 58.100 0.001 0.000 1.148 5 Y CB 0.337 38.811 38.460 0.024 0.000 1.126 5 Y HN -0.369 nan 8.280 nan 0.000 0.658 6 K N 1.907 122.328 120.400 0.036 0.000 2.205 6 K HA 0.217 4.539 4.320 0.003 0.000 0.279 6 K C 0.050 176.689 176.600 0.065 0.000 1.027 6 K CA -0.590 55.706 56.287 0.015 0.000 0.932 6 K CB 0.538 32.935 32.500 -0.172 0.000 1.032 6 K HN 0.474 nan 8.250 nan 0.000 0.466 7 N N 1.061 119.822 118.700 0.102 0.000 2.714 7 N HA -0.171 4.571 4.740 0.003 0.000 0.252 7 N C 0.692 176.255 175.510 0.088 0.000 1.014 7 N CA 0.374 53.483 53.050 0.097 0.000 0.735 7 N CB -1.551 36.992 38.487 0.095 0.000 0.924 7 N HN 0.322 nan 8.380 nan 0.000 0.540 8 V N -0.549 119.420 119.914 0.092 0.000 2.407 8 V HA -0.083 4.039 4.120 0.003 0.000 0.248 8 V C 1.398 177.541 176.094 0.081 0.000 1.055 8 V CA 1.522 63.876 62.300 0.090 0.000 1.049 8 V CB -0.029 31.843 31.823 0.081 0.000 0.662 8 V HN 0.407 nan 8.190 nan 0.000 0.455 9 I N 0.202 120.823 120.570 0.085 0.000 2.509 9 I HA 0.303 4.475 4.170 0.003 0.000 0.293 9 I C -0.183 175.996 176.117 0.104 0.000 1.020 9 I CA -0.572 60.784 61.300 0.094 0.000 1.088 9 I CB 1.666 39.732 38.000 0.109 0.000 1.267 9 I HN 0.020 nan 8.210 nan 0.000 0.430 10 N N 5.745 124.508 118.700 0.105 0.000 2.416 10 N HA 0.091 4.833 4.740 0.003 0.000 0.265 10 N C 0.133 175.735 175.510 0.152 0.000 1.195 10 N CA 0.408 53.529 53.050 0.117 0.000 0.943 10 N CB 0.530 39.082 38.487 0.108 0.000 1.115 10 N HN 0.528 nan 8.380 nan 0.000 0.481 11 R N 1.273 121.864 120.500 0.152 0.000 2.552 11 R HA 0.080 4.422 4.340 0.003 0.000 0.314 11 R C 0.234 176.637 176.300 0.172 0.000 1.041 11 R CA -0.215 55.995 56.100 0.183 0.000 1.076 11 R CB 0.187 30.589 30.300 0.169 0.000 1.290 11 R HN 0.559 nan 8.270 nan 0.000 0.563 12 T N -1.763 112.883 114.554 0.154 0.000 2.899 12 T HA 0.716 5.068 4.350 0.003 0.000 0.284 12 T C 0.496 175.252 174.700 0.092 0.000 1.004 12 T CA -0.435 61.728 62.100 0.104 0.000 1.043 12 T CB 2.130 71.050 68.868 0.086 0.000 1.013 12 T HN 0.240 nan 8.240 nan 0.000 0.518 13 G N -0.705 108.044 108.800 -0.086 0.000 2.368 13 G HA2 0.570 4.532 3.960 0.003 0.000 0.303 13 G HA3 0.570 4.532 3.960 0.003 0.000 0.303 13 G C -1.154 173.386 174.900 -0.600 0.000 1.590 13 G CA -0.433 44.411 45.100 -0.426 0.000 0.938 13 G HN 1.274 nan 8.290 nan 0.000 0.675 14 A N 1.928 124.348 122.820 -0.666 0.000 2.893 14 A HA 0.803 5.125 4.320 0.003 0.000 0.333 14 A C -2.485 174.784 177.584 -0.526 0.000 1.152 14 A CA -1.334 50.422 52.037 -0.468 0.000 0.782 14 A CB 0.855 19.720 19.000 -0.225 0.000 1.108 14 A HN 0.413 nan 8.150 nan 0.000 0.469 15 P HA 0.075 nan 4.420 nan 0.000 0.265 15 P C 0.224 177.367 177.300 -0.260 0.000 1.193 15 P CA 0.405 63.173 63.100 -0.553 0.000 0.765 15 P CB 0.695 31.705 31.700 -1.150 0.000 0.823 16 Q N 1.032 120.775 119.800 -0.095 0.000 2.189 16 Q HA 0.202 4.544 4.340 0.003 0.000 0.223 16 Q C -0.333 175.346 176.000 -0.536 0.000 0.828 16 Q CA 0.355 55.987 55.803 -0.286 0.000 0.967 16 Q CB 0.518 29.062 28.738 -0.324 0.000 1.139 16 Q HN 0.567 nan 8.270 nan 0.000 0.497 20 D N 2.548 123.006 120.400 0.097 0.000 2.524 20 D HA 0.111 4.753 4.640 0.003 0.000 0.222 20 D C -0.614 175.814 176.300 0.213 0.000 1.142 20 D CA -0.117 53.990 54.000 0.179 0.000 0.973 20 D CB 0.215 41.270 40.800 0.426 0.000 1.025 20 D HN 0.192 nan 8.370 nan 0.000 0.519 21 Y N 1.255 121.526 120.300 -0.047 0.000 2.326 21 Y HA 0.189 4.741 4.550 0.003 0.000 0.324 21 Y C 1.169 176.947 175.900 -0.204 0.000 1.291 21 Y CA -1.407 56.626 58.100 -0.112 0.000 1.348 21 Y CB 0.461 38.839 38.460 -0.138 0.000 1.294 21 Y HN 0.276 nan 8.280 nan 0.000 0.525 22 D N -1.090 119.285 120.400 -0.042 0.000 2.511 22 D HA 0.052 4.694 4.640 0.003 0.000 0.276 22 D C 0.414 176.606 176.300 -0.181 0.000 1.220 22 D CA -0.291 53.588 54.000 -0.202 0.000 1.077 22 D CB -0.077 40.647 40.800 -0.128 0.000 1.126 22 D HN 0.393 nan 8.370 nan 0.000 0.583 23 Y N -0.812 119.455 120.300 -0.056 0.000 2.403 23 Y HA -0.012 4.540 4.550 0.003 0.000 0.291 23 Y C 1.074 176.908 175.900 -0.110 0.000 1.143 23 Y CA 1.009 59.069 58.100 -0.067 0.000 1.257 23 Y CB -0.212 38.216 38.460 -0.054 0.000 0.984 23 Y HN 0.297 nan 8.280 nan 0.000 0.550 24 D N -0.744 119.634 120.400 -0.037 0.000 2.424 24 D HA 0.052 4.694 4.640 0.003 0.000 0.220 24 D C -0.121 175.805 176.300 -0.624 0.000 1.150 24 D CA 0.316 54.180 54.000 -0.228 0.000 0.831 24 D CB -0.078 40.648 40.800 -0.123 0.000 0.981 24 D HN 0.185 nan 8.370 nan 0.000 0.500 25 D N 0.205 120.293 120.400 -0.520 0.000 3.090 25 D HA -0.158 4.484 4.640 0.003 0.000 0.215 25 D C -0.056 175.383 176.300 -1.437 0.000 1.140 25 D CA 0.738 54.203 54.000 -0.892 0.000 0.937 25 D CB -1.296 39.066 40.800 -0.730 0.000 1.108 25 D HN 0.459 nan 8.370 nan 0.000 0.420 26 H N 0.530 119.248 119.070 -0.587 0.000 2.483 26 H HA 0.281 4.839 4.556 0.003 0.000 0.338 26 H C 1.165 176.384 175.328 -0.182 0.000 1.152 26 H CA -0.162 55.626 56.048 -0.433 0.000 1.264 26 H CB 0.766 30.391 29.762 -0.228 0.000 1.510 26 H HN -0.056 nan 8.280 nan 0.000 0.530 27 Q N 2.002 121.874 119.800 0.120 0.000 2.274 27 Q HA -0.022 4.320 4.340 0.003 0.000 0.280 27 Q C 1.249 177.359 176.000 0.183 0.000 1.047 27 Q CA 0.077 56.069 55.803 0.315 0.000 0.907 27 Q CB 0.872 29.798 28.738 0.314 0.000 1.171 27 Q HN 0.682 nan 8.270 nan 0.000 0.381 28 R N 1.249 121.765 120.500 0.027 0.000 2.328 28 R HA 0.098 4.440 4.340 0.003 0.000 0.200 28 R C -0.432 175.563 176.300 -0.508 0.000 0.983 28 R CA 0.433 56.351 56.100 -0.304 0.000 1.062 28 R CB 0.098 30.087 30.300 -0.518 0.000 0.956 28 R HN 0.174 nan 8.270 nan 0.000 0.479 29 F N 0.283 120.381 119.950 0.247 0.000 2.598 29 F HA 0.406 4.935 4.527 0.003 0.000 0.327 29 F C 0.111 176.071 175.800 0.266 0.000 1.057 29 F CA -1.509 56.630 58.000 0.232 0.000 0.957 29 F CB 1.342 40.483 39.000 0.236 0.000 1.278 29 F HN -0.124 nan 8.300 nan 0.000 0.484 30 N N 1.989 120.950 118.700 0.435 0.000 2.904 30 N HA 0.293 5.036 4.740 0.003 0.000 0.257 30 N C -2.937 172.787 175.510 0.356 0.000 1.363 30 N CA -1.307 51.949 53.050 0.344 0.000 0.856 30 N CB 0.960 39.596 38.487 0.249 0.000 1.166 30 N HN 0.108 nan 8.380 nan 0.000 0.499 31 P HA 0.054 nan 4.420 nan 0.000 0.269 31 P C -0.319 177.126 177.300 0.242 0.000 1.215 31 P CA -0.192 63.060 63.100 0.253 0.000 0.780 31 P CB 0.405 32.169 31.700 0.106 0.000 0.898 32 F N 3.851 123.791 119.950 -0.016 0.000 2.424 32 F HA 0.497 5.026 4.527 0.004 0.000 0.356 32 F C -1.219 174.495 175.800 -0.143 0.000 1.110 32 F CA -0.715 57.312 58.000 0.044 0.000 1.161 32 F CB -0.374 38.688 39.000 0.105 0.000 1.115 32 F HN 0.116 nan 8.300 nan 0.000 0.507 33 F N 4.483 124.155 119.950 -0.463 0.000 2.563 33 F HA 0.479 5.008 4.527 0.004 0.000 0.316 33 F C -0.398 174.722 175.800 -1.133 0.000 1.076 33 F CA -0.716 56.745 58.000 -0.897 0.000 0.921 33 F CB 1.940 40.633 39.000 -0.511 0.000 1.209 33 F HN 0.439 nan 8.300 nan 0.000 0.462 34 D N 0.761 120.246 120.400 -1.524 0.000 2.622 34 D HA 0.415 5.057 4.640 0.003 0.000 0.255 34 D C -0.234 175.508 176.300 -0.930 0.000 1.246 34 D CA -0.409 53.080 54.000 -0.851 0.000 0.795 34 D CB 1.614 42.204 40.800 -0.350 0.000 1.369 34 D HN 0.357 nan 8.370 nan 0.000 0.425 35 L N 1.892 122.641 121.223 -0.790 0.000 4.429 35 L HA -0.117 4.225 4.340 0.003 0.000 0.422 35 L C 1.176 177.303 176.870 -1.238 0.000 1.149 35 L CA 2.140 56.444 54.840 -0.892 0.000 0.972 35 L CB -1.474 40.494 42.059 -0.151 0.000 2.059 35 L HN 1.084 nan 8.230 nan 0.000 0.870 36 G N -2.351 105.404 108.800 -1.742 0.000 2.143 36 G HA2 -0.009 3.953 3.960 0.003 0.000 0.248 36 G HA3 -0.009 3.953 3.960 0.003 0.000 0.248 36 G C 0.687 175.273 174.900 -0.523 0.000 0.991 36 G CA 0.657 45.017 45.100 -1.234 0.000 0.689 36 G HN 1.700 nan 8.290 nan 0.000 0.522 37 A N -1.143 121.400 122.820 -0.461 0.000 2.386 37 A HA 0.540 4.862 4.320 0.003 0.000 0.246 37 A C 0.517 178.076 177.584 -0.042 0.000 1.089 37 A CA 0.669 52.664 52.037 -0.069 0.000 0.790 37 A CB 0.321 19.262 19.000 -0.098 0.000 1.042 37 A HN 0.790 nan 8.150 nan 0.000 0.497 38 W N 0.729 122.143 121.300 0.191 0.000 3.015 38 W HA 0.265 4.927 4.660 0.003 0.000 0.429 38 W C 0.519 177.352 176.519 0.522 0.000 0.976 38 W CA 0.260 57.785 57.345 0.300 0.000 2.086 38 W CB 0.057 29.665 29.460 0.247 0.000 1.125 38 W HN 0.790 nan 8.180 nan 0.000 0.721 39 H N -1.994 117.370 119.070 0.490 0.000 3.012 39 H HA 0.811 5.369 4.556 0.003 0.000 0.367 39 H C -0.538 174.688 175.328 -0.170 0.000 1.211 39 H CA -0.956 55.244 56.048 0.253 0.000 1.139 39 H CB 1.452 31.371 29.762 0.262 0.000 1.838 39 H HN -0.059 nan 8.280 nan 0.000 0.550 40 G N 0.816 109.187 108.800 -0.714 0.000 2.680 40 G HA2 0.472 4.434 3.960 0.003 0.000 0.290 40 G HA3 0.472 4.434 3.960 0.003 0.000 0.290 40 G C -1.550 172.873 174.900 -0.795 0.000 1.355 40 G CA -0.642 43.642 45.100 -1.359 0.000 0.903 40 G HN 0.706 nan 8.290 nan 0.000 0.474 41 H N -0.603 118.377 119.070 -0.150 0.000 2.797 41 H HA 0.588 5.146 4.556 0.003 0.000 0.372 41 H C -0.669 174.740 175.328 0.134 0.000 1.168 41 H CA -0.370 55.711 56.048 0.054 0.000 1.163 41 H CB 2.296 32.106 29.762 0.079 0.000 1.778 41 H HN 0.224 nan 8.280 nan 0.000 0.551 42 L N 1.299 122.699 121.223 0.295 0.000 2.303 42 L HA 0.437 4.779 4.340 0.003 0.000 0.266 42 L C -0.127 176.913 176.870 0.283 0.000 1.011 42 L CA -0.958 54.018 54.840 0.227 0.000 0.818 42 L CB 1.891 44.000 42.059 0.084 0.000 1.326 42 L HN 0.188 nan 8.230 nan 0.000 0.435 43 L N 2.350 123.700 121.223 0.211 0.000 2.379 43 L HA 0.429 4.771 4.340 0.003 0.000 0.269 43 L C -2.115 174.784 176.870 0.048 0.000 1.084 43 L CA -1.747 53.211 54.840 0.197 0.000 0.802 43 L CB 1.418 43.565 42.059 0.145 0.000 1.175 43 L HN 0.288 nan 8.230 nan 0.000 0.448 44 P HA 0.032 nan 4.420 nan 0.000 0.271 44 P C -0.935 176.334 177.300 -0.052 0.000 1.216 44 P CA -0.257 62.787 63.100 -0.093 0.000 0.776 44 P CB 0.890 32.486 31.700 -0.174 0.000 0.881 45 D N 1.110 121.479 120.400 -0.051 0.000 2.354 45 D HA 0.249 4.891 4.640 0.003 0.000 0.209 45 D C 1.034 177.321 176.300 -0.022 0.000 1.015 45 D CA 0.072 54.059 54.000 -0.022 0.000 0.867 45 D CB 0.167 40.958 40.800 -0.016 0.000 0.933 45 D HN 0.561 nan 8.370 nan 0.000 0.520 46 G N -0.488 108.287 108.800 -0.041 0.000 2.335 46 G HA2 0.223 4.185 3.960 0.003 0.000 0.291 46 G HA3 0.223 4.185 3.960 0.003 0.000 0.291 46 G C -2.292 172.579 174.900 -0.048 0.000 1.261 46 G CA -0.590 44.489 45.100 -0.035 0.000 0.871 46 G HN -0.230 nan 8.290 nan 0.000 0.491 47 P HA -0.066 nan 4.420 nan 0.000 0.217 47 P C 1.380 178.648 177.300 -0.052 0.000 1.148 47 P CA 1.479 64.553 63.100 -0.044 0.000 0.828 47 P CB -0.049 31.629 31.700 -0.037 0.000 0.783 48 N N -1.411 117.258 118.700 -0.051 0.000 2.331 48 N HA -0.042 4.700 4.740 0.003 0.000 0.180 48 N C 0.722 176.192 175.510 -0.066 0.000 1.019 48 N CA 0.897 53.914 53.050 -0.054 0.000 0.881 48 N CB -0.101 38.356 38.487 -0.050 0.000 0.972 48 N HN 0.325 nan 8.380 nan 0.000 0.435 52 G N -0.521 108.109 108.800 -0.284 0.000 2.684 52 G HA2 0.538 4.500 3.960 0.003 0.000 0.290 52 G HA3 0.538 4.500 3.960 0.003 0.000 0.290 52 G C -1.786 172.854 174.900 -0.434 0.000 1.425 52 G CA -0.865 44.094 45.100 -0.235 0.000 0.822 52 G HN 0.140 nan 8.290 nan 0.000 0.482 53 F N 2.527 122.495 119.950 0.030 0.000 2.293 53 F HA 0.382 4.911 4.527 0.003 0.000 0.370 53 F C -1.462 174.362 175.800 0.041 0.000 1.090 53 F CA -1.823 56.189 58.000 0.019 0.000 1.133 53 F CB 1.739 40.737 39.000 -0.003 0.000 1.360 53 F HN 0.138 nan 8.300 nan 0.000 0.489 54 P HA 0.182 nan 4.420 nan 0.000 0.274 54 P C 0.342 177.656 177.300 0.023 0.000 1.260 54 P CA -0.035 63.084 63.100 0.031 0.000 0.793 54 P CB 0.911 32.567 31.700 -0.073 0.000 1.048 55 G N -0.745 108.015 108.800 -0.067 0.000 2.353 55 G HA2 -0.166 3.796 3.960 0.003 0.000 0.294 55 G HA3 -0.166 3.796 3.960 0.003 0.000 0.294 55 G C -0.073 174.922 174.900 0.158 0.000 1.077 55 G CA -0.275 44.770 45.100 -0.092 0.000 1.098 55 G HN 0.466 nan 8.290 nan 0.000 0.511 56 V N 0.458 120.413 119.914 0.070 0.000 2.458 56 V HA 0.384 4.506 4.120 0.003 0.000 0.287 56 V C 1.120 177.225 176.094 0.019 0.000 1.009 56 V CA 0.766 63.032 62.300 -0.057 0.000 1.091 56 V CB 0.708 32.306 31.823 -0.375 0.000 0.960 56 V HN 1.364 nan 8.190 nan 0.000 0.476 57 A N 7.593 130.394 122.820 -0.033 0.000 2.260 57 A HA 0.746 5.068 4.320 0.003 0.000 0.314 57 A C -0.534 176.994 177.584 -0.093 0.000 1.257 57 A CA -0.547 51.426 52.037 -0.107 0.000 0.871 57 A CB 0.353 19.293 19.000 -0.100 0.000 1.166 57 A HN 0.800 nan 8.150 nan 0.000 0.522 58 L N 3.281 124.400 121.223 -0.173 0.000 2.295 58 L HA 0.384 4.726 4.340 0.003 0.000 0.285 58 L C -0.481 176.380 176.870 -0.014 0.000 1.035 58 L CA -0.421 54.290 54.840 -0.215 0.000 0.806 58 L CB 1.469 43.204 42.059 -0.540 0.000 1.214 58 L HN 0.578 nan 8.230 nan 0.000 0.426 59 L N 3.521 124.879 121.223 0.225 0.000 2.302 59 L HA 0.191 4.533 4.340 0.003 0.000 0.285 59 L C 0.569 177.636 176.870 0.328 0.000 1.090 59 L CA -0.363 54.625 54.840 0.247 0.000 0.866 59 L CB 0.528 42.728 42.059 0.235 0.000 1.244 59 L HN 0.658 nan 8.230 nan 0.000 0.435 60 T N -0.943 113.683 114.554 0.120 0.000 3.781 60 T HA 0.219 4.571 4.350 0.003 0.000 0.286 60 T C 0.729 175.373 174.700 -0.093 0.000 1.277 60 T CA -0.440 61.658 62.100 -0.002 0.000 1.136 60 T CB 0.122 68.935 68.868 -0.092 0.000 1.202 60 T HN 0.752 nan 8.240 nan 0.000 0.884 61 E N 1.310 121.382 120.200 -0.214 0.000 4.876 61 E HA -0.334 4.018 4.350 0.003 0.000 0.174 61 E C 0.832 177.463 176.600 0.052 0.000 1.304 61 E CA 2.259 58.417 56.400 -0.403 0.000 2.277 61 E CB -1.059 28.163 29.700 -0.796 0.000 1.860 61 E HN 0.818 nan 8.360 nan 0.000 0.382 62 E N -1.448 118.688 120.200 -0.106 0.000 2.702 62 E HA 0.210 4.562 4.350 0.003 0.000 0.225 62 E C -0.897 175.256 176.600 -0.746 0.000 0.942 62 E CA -0.061 56.139 56.400 -0.335 0.000 1.210 62 E CB 0.887 30.330 29.700 -0.428 0.000 1.143 62 E HN 0.163 nan 8.360 nan 0.000 0.544 63 Y N -0.107 120.213 120.300 0.033 0.000 2.581 63 Y HA 0.451 5.003 4.550 0.003 0.000 0.345 63 Y C -0.623 175.244 175.900 -0.055 0.000 1.036 63 Y CA -1.191 56.894 58.100 -0.024 0.000 1.042 63 Y CB 1.496 39.921 38.460 -0.059 0.000 1.289 63 Y HN -0.105 nan 8.280 nan 0.000 0.471 64 I N 2.817 123.433 120.570 0.077 0.000 2.354 64 I HA 0.475 4.647 4.170 0.003 0.000 0.292 64 I C -1.372 174.697 176.117 -0.080 0.000 0.989 64 I CA -0.338 60.939 61.300 -0.038 0.000 1.188 64 I CB 0.369 38.313 38.000 -0.092 0.000 1.342 64 I HN 0.623 nan 8.210 nan 0.000 0.457 65 N N 6.791 125.402 118.700 -0.149 0.000 2.310 65 N HA 0.364 5.106 4.740 0.003 0.000 0.292 65 N C -1.000 174.397 175.510 -0.188 0.000 1.049 65 N CA -0.350 52.614 53.050 -0.143 0.000 0.849 65 N CB 1.823 40.252 38.487 -0.097 0.000 1.532 65 N HN 0.342 nan 8.380 nan 0.000 0.479 69 S N 0.028 115.705 115.700 -0.038 0.000 2.289 69 S HA 0.138 4.610 4.470 0.003 0.000 0.193 69 S C 0.680 175.274 174.600 -0.009 0.000 1.002 69 S CA 0.772 58.915 58.200 -0.094 0.000 0.951 69 S CB -0.396 62.733 63.200 -0.118 0.000 0.920 69 S HN 0.728 nan 8.310 nan 0.000 0.502 70 N N 0.207 118.916 118.700 0.015 0.000 2.458 70 N HA 0.391 5.133 4.740 0.003 0.000 0.270 70 N C -1.538 174.080 175.510 0.180 0.000 1.102 70 N CA 0.046 53.124 53.050 0.047 0.000 0.967 70 N CB 0.635 39.110 38.487 -0.020 0.000 1.078 70 N HN 0.274 nan 8.380 nan 0.000 0.471 71 F N 2.022 121.995 119.950 0.039 0.000 2.787 71 F HA 0.148 4.677 4.527 0.004 0.000 0.340 71 F C -0.577 175.371 175.800 0.246 0.000 1.232 71 F CA -0.603 57.489 58.000 0.153 0.000 1.051 71 F CB 0.944 40.028 39.000 0.138 0.000 1.330 71 F HN 0.488 nan 8.300 nan 0.000 0.522 72 D N 2.860 123.306 120.400 0.077 0.000 2.873 72 D HA -0.230 4.412 4.640 0.003 0.000 0.228 72 D C -0.138 176.377 176.300 0.358 0.000 1.122 72 D CA 0.730 54.934 54.000 0.340 0.000 0.758 72 D CB -0.420 40.629 40.800 0.415 0.000 1.094 72 D HN 0.709 nan 8.370 nan 0.000 0.434 73 R N 0.476 121.079 120.500 0.172 0.000 2.340 73 R HA 0.442 4.784 4.340 0.003 0.000 0.300 73 R C -0.415 175.938 176.300 0.089 0.000 1.069 73 R CA -0.588 55.573 56.100 0.100 0.000 0.984 73 R CB 0.523 30.818 30.300 -0.007 0.000 1.003 73 R HN 0.247 nan 8.270 nan 0.000 0.459 74 L N 4.196 125.426 121.223 0.012 0.000 2.307 74 L HA 0.421 4.763 4.340 0.003 0.000 0.282 74 L C -0.771 175.990 176.870 -0.183 0.000 1.051 74 L CA 0.237 54.939 54.840 -0.229 0.000 0.804 74 L CB 1.770 43.672 42.059 -0.262 0.000 1.197 74 L HN 0.846 nan 8.230 nan 0.000 0.431 75 T N 2.009 116.462 114.554 -0.168 0.000 2.900 75 T HA 0.759 5.111 4.350 0.003 0.000 0.295 75 T C -0.763 173.916 174.700 -0.035 0.000 1.044 75 T CA -0.787 61.277 62.100 -0.059 0.000 0.995 75 T CB 1.513 70.417 68.868 0.059 0.000 1.072 75 T HN 0.373 nan 8.240 nan 0.000 0.473 76 V N 2.066 121.936 119.914 -0.074 0.000 2.555 76 V HA 0.673 4.795 4.120 0.003 0.000 0.302 76 V C -1.185 174.770 176.094 -0.231 0.000 1.038 76 V CA -0.816 61.478 62.300 -0.009 0.000 0.887 76 V CB 1.277 33.188 31.823 0.147 0.000 0.991 76 V HN 0.956 nan 8.190 nan 0.000 0.434 77 W N 2.741 123.987 121.300 -0.091 0.000 2.844 77 W HA 0.764 5.426 4.660 0.003 0.000 0.340 77 W C -0.473 176.002 176.519 -0.073 0.000 1.093 77 W CA -0.771 56.523 57.345 -0.085 0.000 1.212 77 W CB 1.752 31.168 29.460 -0.073 0.000 1.422 77 W HN 0.547 nan 8.180 nan 0.000 0.515 78 Q N 0.681 120.566 119.800 0.141 0.000 2.263 78 Q HA 0.447 4.789 4.340 0.003 0.000 0.266 78 Q C -0.645 175.402 176.000 0.079 0.000 1.002 78 Q CA -0.735 55.112 55.803 0.074 0.000 0.790 78 Q CB 1.805 30.543 28.738 -0.000 0.000 1.272 78 Q HN 0.523 nan 8.270 nan 0.000 0.435 79 D N 2.663 123.112 120.400 0.081 0.000 2.772 79 D HA -0.182 4.460 4.640 0.003 0.000 0.233 79 D C 0.894 177.244 176.300 0.083 0.000 1.143 79 D CA 2.563 56.601 54.000 0.063 0.000 0.700 79 D CB -1.101 39.720 40.800 0.035 0.000 1.076 79 D HN 1.595 nan 8.370 nan 0.000 0.430 80 G N -0.333 108.545 108.800 0.131 0.000 2.184 80 G HA2 -0.395 3.567 3.960 0.003 0.000 0.264 80 G HA3 -0.395 3.567 3.960 0.003 0.000 0.264 80 G C 0.333 175.419 174.900 0.309 0.000 0.975 80 G CA 0.780 45.980 45.100 0.166 0.000 0.642 80 G HN 0.746 nan 8.290 nan 0.000 0.536 81 K N 0.694 121.233 120.400 0.231 0.000 2.206 81 K HA 0.523 4.845 4.320 0.003 0.000 0.264 81 K C 0.312 176.871 176.600 -0.069 0.000 0.967 81 K CA -0.862 55.492 56.287 0.111 0.000 0.844 81 K CB 0.768 33.266 32.500 -0.003 0.000 1.099 81 K HN 0.122 nan 8.250 nan 0.000 0.441 82 K N 3.366 123.481 120.400 -0.476 0.000 2.368 82 K HA 0.083 4.405 4.320 0.003 0.000 0.282 82 K C -0.645 175.571 176.600 -0.641 0.000 1.035 82 K CA -0.504 55.137 56.287 -1.077 0.000 0.973 82 K CB 0.794 32.412 32.500 -1.471 0.000 0.957 82 K HN 0.358 nan 8.250 nan 0.000 0.474 83 V N 4.001 123.525 119.914 -0.650 0.000 2.572 83 V HA -0.047 4.075 4.120 0.003 0.000 0.291 83 V C 0.107 175.724 176.094 -0.794 0.000 1.039 83 V CA -0.113 61.774 62.300 -0.689 0.000 1.055 83 V CB 0.998 32.310 31.823 -0.851 0.000 0.969 83 V HN 0.806 nan 8.190 nan 0.000 0.482 84 D N 4.083 124.101 120.400 -0.637 0.000 2.347 84 D HA 0.420 5.062 4.640 0.003 0.000 0.235 84 D C -0.726 175.288 176.300 -0.477 0.000 1.149 84 D CA -0.067 53.664 54.000 -0.449 0.000 0.850 84 D CB 0.313 40.948 40.800 -0.274 0.000 1.061 84 D HN 0.223 nan 8.370 nan 0.000 0.487 85 F N 1.264 121.131 119.950 -0.139 0.000 2.483 85 F HA 0.460 4.989 4.527 0.003 0.000 0.329 85 F C 0.967 176.712 175.800 -0.092 0.000 1.064 85 F CA -0.832 57.100 58.000 -0.112 0.000 0.986 85 F CB 1.770 40.697 39.000 -0.122 0.000 1.218 85 F HN 0.152 nan 8.300 nan 0.000 0.484 86 T N 0.485 115.134 114.554 0.159 0.000 2.888 86 T HA 0.689 5.041 4.350 0.003 0.000 0.284 86 T C -1.057 173.668 174.700 0.042 0.000 1.017 86 T CA -0.760 61.377 62.100 0.062 0.000 1.022 86 T CB 1.689 70.579 68.868 0.037 0.000 1.013 86 T HN 0.514 nan 8.240 nan 0.000 0.465 87 L N 1.067 122.294 121.223 0.008 0.000 2.325 87 L HA 0.740 5.082 4.340 0.003 0.000 0.278 87 L C -0.377 176.489 176.870 -0.006 0.000 1.023 87 L CA -0.483 54.344 54.840 -0.023 0.000 0.811 87 L CB 1.538 43.571 42.059 -0.044 0.000 1.249 87 L HN 0.971 nan 8.230 nan 0.000 0.431 88 E N 3.694 123.888 120.200 -0.010 0.000 2.260 88 E HA 0.755 5.107 4.350 0.003 0.000 0.266 88 E C -1.984 174.630 176.600 0.023 0.000 0.887 88 E CA -0.736 55.688 56.400 0.041 0.000 0.777 88 E CB 1.671 31.415 29.700 0.073 0.000 1.205 88 E HN 0.895 nan 8.360 nan 0.000 0.414 89 A N 3.758 126.616 122.820 0.064 0.000 2.488 89 A HA 0.717 5.039 4.320 0.003 0.000 0.298 89 A C -1.872 175.785 177.584 0.121 0.000 1.044 89 A CA -0.634 51.404 52.037 0.001 0.000 0.693 89 A CB 0.790 19.773 19.000 -0.028 0.000 1.272 89 A HN 0.643 nan 8.150 nan 0.000 0.402 90 Y N -0.608 119.717 120.300 0.042 0.000 2.656 90 Y HA 0.784 5.336 4.550 0.003 0.000 0.334 90 Y C -0.278 175.623 175.900 0.002 0.000 1.179 90 Y CA -0.684 57.431 58.100 0.023 0.000 1.050 90 Y CB 0.714 39.180 38.460 0.009 0.000 1.308 90 Y HN 1.020 nan 8.280 nan 0.000 0.456 91 S N 2.564 118.380 115.700 0.193 0.000 2.578 91 S HA 0.923 5.395 4.470 0.003 0.000 0.301 91 S C -0.632 174.029 174.600 0.102 0.000 1.091 91 S CA -0.481 57.731 58.200 0.019 0.000 1.032 91 S CB 1.621 64.795 63.200 -0.043 0.000 1.064 91 S HN 1.158 nan 8.310 nan 0.000 0.508 92 I N -3.111 117.424 120.570 -0.059 0.000 3.074 92 I HA 0.631 4.803 4.170 0.003 0.000 0.310 92 I C -3.260 172.714 176.117 -0.238 0.000 1.153 92 I CA -3.406 57.878 61.300 -0.027 0.000 0.993 92 I CB 1.774 39.805 38.000 0.051 0.000 1.237 92 I HN 0.277 nan 8.210 nan 0.000 0.443 93 P HA 0.167 nan 4.420 nan 0.000 0.261 93 P C 0.674 177.335 177.300 -1.066 0.000 1.203 93 P CA 1.129 63.965 63.100 -0.440 0.000 0.767 93 P CB 0.406 32.139 31.700 0.057 0.000 0.785 94 G N 2.188 109.962 108.800 -1.711 0.000 2.175 94 G HA2 0.018 3.981 3.960 0.003 0.000 0.244 94 G HA3 0.018 3.981 3.960 0.003 0.000 0.244 94 G C 0.133 174.635 174.900 -0.663 0.000 0.982 94 G CA -0.075 44.027 45.100 -1.664 0.000 0.641 94 G HN 0.894 nan 8.290 nan 0.000 0.527 95 A N -0.919 121.374 122.820 -0.879 0.000 2.608 95 A HA 0.807 5.129 4.320 0.003 0.000 0.292 95 A C -1.141 176.045 177.584 -0.664 0.000 1.066 95 A CA -0.542 51.120 52.037 -0.625 0.000 0.676 95 A CB 1.041 19.891 19.000 -0.251 0.000 1.277 95 A HN 0.891 nan 8.150 nan 0.000 0.413 96 L N 0.883 121.816 121.223 -0.484 0.000 2.365 96 L HA 0.781 5.123 4.340 0.003 0.000 0.273 96 L C -1.033 175.674 176.870 -0.272 0.000 1.000 96 L CA -1.032 53.588 54.840 -0.366 0.000 0.819 96 L CB 1.955 43.778 42.059 -0.394 0.000 1.284 96 L HN 0.502 nan 8.230 nan 0.000 0.418 97 V N 2.376 122.138 119.914 -0.254 0.000 2.841 97 V HA 0.512 4.634 4.120 0.003 0.000 0.310 97 V C -0.899 175.048 176.094 -0.245 0.000 1.090 97 V CA -0.590 61.539 62.300 -0.285 0.000 0.930 97 V CB 2.186 33.605 31.823 -0.674 0.000 1.014 97 V HN 0.891 nan 8.190 nan 0.000 0.425 98 Q N 2.713 122.461 119.800 -0.086 0.000 2.340 98 Q HA 0.750 5.092 4.340 0.003 0.000 0.276 98 Q C -1.828 174.092 176.000 -0.134 0.000 1.048 98 Q CA -1.128 54.586 55.803 -0.148 0.000 0.832 98 Q CB 3.054 31.645 28.738 -0.244 0.000 1.373 98 Q HN 0.629 nan 8.270 nan 0.000 0.409 99 K N 2.642 122.972 120.400 -0.118 0.000 2.397 99 K HA 0.535 4.857 4.320 0.003 0.000 0.253 99 K C -1.128 175.384 176.600 -0.146 0.000 0.932 99 K CA -0.559 55.663 56.287 -0.109 0.000 0.795 99 K CB 2.040 34.519 32.500 -0.034 0.000 1.159 99 K HN 0.519 nan 8.250 nan 0.000 0.424 100 L N 2.599 123.671 121.223 -0.251 0.000 2.287 100 L HA 0.439 4.781 4.340 0.003 0.000 0.287 100 L C -0.416 176.359 176.870 -0.158 0.000 1.022 100 L CA -0.666 53.959 54.840 -0.358 0.000 0.814 100 L CB 1.708 43.184 42.059 -0.973 0.000 1.217 100 L HN 0.598 nan 8.230 nan 0.000 0.420 101 T N 2.330 116.947 114.554 0.104 0.000 2.807 101 T HA 0.774 5.126 4.350 0.003 0.000 0.279 101 T C -0.186 174.690 174.700 0.293 0.000 0.993 101 T CA -0.477 61.735 62.100 0.187 0.000 0.970 101 T CB 2.060 70.975 68.868 0.079 0.000 0.950 101 T HN 0.718 nan 8.240 nan 0.000 0.441 102 A N 2.207 125.168 122.820 0.234 0.000 2.530 102 A HA 0.791 5.113 4.320 0.003 0.000 0.288 102 A C 1.023 178.611 177.584 0.006 0.000 1.172 102 A CA -0.709 51.344 52.037 0.027 0.000 0.733 102 A CB 1.305 20.180 19.000 -0.210 0.000 1.320 102 A HN 0.632 nan 8.150 nan 0.000 0.419 103 K N 0.119 120.490 120.400 -0.048 0.000 1.985 103 K HA -0.101 4.221 4.320 0.003 0.000 0.210 103 K C 0.521 177.110 176.600 -0.018 0.000 1.047 103 K CA 2.707 58.974 56.287 -0.033 0.000 0.932 103 K CB -0.041 32.429 32.500 -0.050 0.000 0.716 103 K HN 0.655 nan 8.250 nan 0.000 0.439 104 D N -0.605 119.776 120.400 -0.031 0.000 2.369 104 D HA 0.106 4.748 4.640 0.003 0.000 0.211 104 D C -0.568 175.736 176.300 0.006 0.000 1.077 104 D CA 0.099 54.090 54.000 -0.015 0.000 0.842 104 D CB 0.957 41.740 40.800 -0.028 0.000 0.947 104 D HN -0.055 nan 8.370 nan 0.000 0.509 105 V N 1.009 120.944 119.914 0.034 0.000 2.808 105 V HA 0.328 4.450 4.120 0.003 0.000 0.308 105 V C -0.897 175.339 176.094 0.236 0.000 1.099 105 V CA -0.780 61.589 62.300 0.114 0.000 0.920 105 V CB 2.392 34.292 31.823 0.129 0.000 1.014 105 V HN -0.169 nan 8.190 nan 0.000 0.425 106 Q N 2.342 122.229 119.800 0.144 0.000 2.389 106 Q HA 0.835 5.177 4.340 0.003 0.000 0.277 106 Q C -1.395 174.573 176.000 -0.053 0.000 1.082 106 Q CA -0.607 55.238 55.803 0.070 0.000 0.810 106 Q CB 3.012 31.770 28.738 0.034 0.000 1.374 106 Q HN 0.532 nan 8.270 nan 0.000 0.422 107 V N 0.825 120.624 119.914 -0.192 0.000 2.638 107 V HA 0.548 4.670 4.120 0.003 0.000 0.306 107 V C -0.633 175.360 176.094 -0.168 0.000 1.052 107 V CA -0.672 61.499 62.300 -0.215 0.000 0.885 107 V CB 1.922 33.517 31.823 -0.379 0.000 0.999 107 V HN 0.786 nan 8.190 nan 0.000 0.424 111 L N 3.630 124.727 121.223 -0.210 0.000 2.349 111 L HA 0.825 5.167 4.340 0.003 0.000 0.278 111 L C -0.512 176.311 176.870 -0.077 0.000 0.996 111 L CA -0.090 54.589 54.840 -0.269 0.000 0.825 111 L CB 1.087 42.713 42.059 -0.723 0.000 1.243 111 L HN 0.647 nan 8.230 nan 0.000 0.412 112 R N 3.225 123.737 120.500 0.021 0.000 2.836 112 R HA 0.556 4.898 4.340 0.003 0.000 0.269 112 R C -1.441 174.929 176.300 0.116 0.000 1.010 112 R CA -0.788 55.446 56.100 0.225 0.000 0.930 112 R CB 1.771 32.201 30.300 0.216 0.000 1.218 112 R HN 0.351 nan 8.270 nan 0.000 0.473 113 F N 0.075 120.163 119.950 0.229 0.000 2.385 113 F HA 0.365 4.894 4.527 0.003 0.000 0.336 113 F C 0.970 176.886 175.800 0.194 0.000 1.100 113 F CA 0.085 58.172 58.000 0.145 0.000 1.116 113 F CB 1.773 40.790 39.000 0.029 0.000 1.166 113 F HN 0.688 nan 8.300 nan 0.000 0.511 114 A N 1.203 124.187 122.820 0.274 0.000 2.055 114 A HA 0.293 4.615 4.320 0.003 0.000 0.205 114 A C 0.649 178.411 177.584 0.297 0.000 1.235 114 A CA 0.970 53.170 52.037 0.271 0.000 0.822 114 A CB -0.106 18.881 19.000 -0.021 0.000 0.903 114 A HN 0.696 nan 8.150 nan 0.000 0.473 115 T N -5.462 109.241 114.554 0.248 0.000 2.787 115 T HA 0.514 4.866 4.350 0.003 0.000 0.297 115 T C -2.960 171.877 174.700 0.228 0.000 1.221 115 T CA -1.263 60.971 62.100 0.223 0.000 1.006 115 T CB 1.266 70.229 68.868 0.158 0.000 1.328 115 T HN -0.169 nan 8.240 nan 0.000 0.509 116 P HA 0.207 nan 4.420 nan 0.000 0.239 116 P C 0.709 178.168 177.300 0.265 0.000 1.184 116 P CA 0.310 63.508 63.100 0.162 0.000 0.760 116 P CB 0.116 31.915 31.700 0.165 0.000 0.884 117 R N -2.879 117.795 120.500 0.289 0.000 2.526 117 R HA 0.274 4.617 4.340 0.003 0.000 0.346 117 R C -0.186 176.376 176.300 0.437 0.000 0.926 117 R CA 0.345 56.660 56.100 0.359 0.000 1.147 117 R CB 0.528 30.958 30.300 0.217 0.000 1.629 117 R HN 0.044 nan 8.270 nan 0.000 0.516 118 T N 0.982 115.774 114.554 0.396 0.000 2.921 118 T HA 0.342 4.694 4.350 0.003 0.000 0.297 118 T C -0.469 174.362 174.700 0.218 0.000 1.013 118 T CA -0.529 61.761 62.100 0.316 0.000 0.990 118 T CB 2.480 71.404 68.868 0.093 0.000 1.023 118 T HN 0.075 nan 8.240 nan 0.000 0.447 119 S N 2.325 118.099 115.700 0.123 0.000 2.593 119 S HA 0.829 5.301 4.470 0.003 0.000 0.297 119 S C -0.856 173.663 174.600 -0.135 0.000 1.112 119 S CA -0.955 57.084 58.200 -0.269 0.000 1.043 119 S CB 1.491 64.371 63.200 -0.533 0.000 1.054 119 S HN 0.553 nan 8.310 nan 0.000 0.516 120 L N 2.277 123.409 121.223 -0.152 0.000 2.333 120 L HA 0.745 5.087 4.340 0.003 0.000 0.280 120 L C -1.354 175.468 176.870 -0.081 0.000 1.004 120 L CA -0.926 53.850 54.840 -0.107 0.000 0.820 120 L CB 1.544 43.582 42.059 -0.036 0.000 1.247 120 L HN 0.820 nan 8.230 nan 0.000 0.416 121 L N 4.506 125.669 121.223 -0.101 0.000 2.305 121 L HA 0.549 4.891 4.340 0.003 0.000 0.284 121 L C -0.565 176.315 176.870 0.017 0.000 1.013 121 L CA -0.025 54.792 54.840 -0.039 0.000 0.819 121 L CB 1.506 43.547 42.059 -0.030 0.000 1.227 121 L HN 0.791 nan 8.230 nan 0.000 0.417 122 E N 3.039 123.259 120.200 0.032 0.000 2.146 122 E HA 0.383 4.735 4.350 0.003 0.000 0.282 122 E C -1.200 175.323 176.600 -0.129 0.000 0.989 122 E CA -0.428 55.903 56.400 -0.114 0.000 0.799 122 E CB 0.939 30.674 29.700 0.058 0.000 1.088 122 E HN 0.701 nan 8.360 nan 0.000 0.397 123 T N 5.556 119.974 114.554 -0.228 0.000 2.893 123 T HA 0.194 4.546 4.350 0.003 0.000 0.324 123 T C -0.444 174.174 174.700 -0.136 0.000 1.082 123 T CA -0.562 61.480 62.100 -0.096 0.000 0.983 123 T CB 0.578 69.457 68.868 0.017 0.000 1.005 123 T HN 0.312 nan 8.240 nan 0.000 0.475 124 K N 4.373 124.713 120.400 -0.101 0.000 2.264 124 K HA 0.462 4.784 4.320 0.003 0.000 0.277 124 K C -1.020 175.545 176.600 -0.058 0.000 1.067 124 K CA -0.650 55.589 56.287 -0.080 0.000 0.900 124 K CB 0.303 32.771 32.500 -0.053 0.000 1.124 124 K HN 0.361 nan 8.250 nan 0.000 0.469 125 I N 3.322 123.865 120.570 -0.044 0.000 2.354 125 I HA 0.183 4.355 4.170 0.003 0.000 0.292 125 I C -0.197 175.911 176.117 -0.014 0.000 0.989 125 I CA -0.249 61.031 61.300 -0.033 0.000 1.188 125 I CB 2.031 40.016 38.000 -0.025 0.000 1.342 125 I HN 0.447 nan 8.210 nan 0.000 0.457 126 T N 4.495 119.046 114.554 -0.005 0.000 2.772 126 T HA 0.612 4.964 4.350 0.003 0.000 0.288 126 T C -0.392 174.318 174.700 0.017 0.000 0.994 126 T CA -0.581 61.523 62.100 0.006 0.000 0.951 126 T CB 0.997 69.870 68.868 0.008 0.000 0.933 126 T HN 0.554 nan 8.240 nan 0.000 0.447 127 S N 2.033 117.739 115.700 0.010 0.000 2.541 127 S HA 0.373 4.845 4.470 0.003 0.000 0.271 127 S C 0.499 175.101 174.600 0.003 0.000 1.133 127 S CA -0.852 57.353 58.200 0.009 0.000 0.876 127 S CB 0.983 64.184 63.200 0.002 0.000 1.105 127 S HN 0.727 nan 8.310 nan 0.000 0.470 128 N N 2.647 121.347 118.700 0.001 0.000 2.299 128 N HA 0.166 4.908 4.740 0.003 0.000 0.187 128 N C -0.256 175.254 175.510 0.000 0.000 1.099 128 N CA -0.003 53.048 53.050 0.001 0.000 0.867 128 N CB 0.062 38.549 38.487 -0.000 0.000 0.974 128 N HN 0.512 nan 8.380 nan 0.000 0.477 129 K N 0.005 120.403 120.400 -0.004 0.000 2.480 129 K HA 0.516 4.838 4.320 0.003 0.000 0.258 129 K C -2.979 173.612 176.600 -0.015 0.000 0.990 129 K CA -1.977 54.309 56.287 -0.003 0.000 0.857 129 K CB 1.979 34.477 32.500 -0.003 0.000 1.384 129 K HN -0.171 nan 8.250 nan 0.000 0.446 130 P HA 0.174 nan 4.420 nan 0.000 0.270 130 P C -1.010 176.230 177.300 -0.100 0.000 1.223 130 P CA -0.017 63.045 63.100 -0.063 0.000 0.785 130 P CB 0.500 32.220 31.700 0.034 0.000 0.923 131 L N 0.957 122.040 121.223 -0.234 0.000 2.415 131 L HA 0.473 4.815 4.340 0.003 0.000 0.256 131 L C -0.651 176.096 176.870 -0.205 0.000 1.010 131 L CA -0.809 53.945 54.840 -0.144 0.000 0.826 131 L CB 2.246 44.259 42.059 -0.077 0.000 1.405 131 L HN 0.159 nan 8.230 nan 0.000 0.410 132 D N 2.704 123.093 120.400 -0.019 0.000 2.303 132 D HA 0.518 5.160 4.640 0.003 0.000 0.236 132 D C -0.715 175.598 176.300 0.022 0.000 1.068 132 D CA -0.193 53.824 54.000 0.029 0.000 0.830 132 D CB 2.221 43.075 40.800 0.090 0.000 1.109 132 D HN 0.224 nan 8.370 nan 0.000 0.496 133 L N 1.502 122.674 121.223 -0.084 0.000 2.325 133 L HA 0.588 4.930 4.340 0.003 0.000 0.279 133 L C -0.153 176.515 176.870 -0.337 0.000 1.054 133 L CA -0.940 53.722 54.840 -0.296 0.000 0.804 133 L CB 1.696 43.422 42.059 -0.555 0.000 1.200 133 L HN -0.038 nan 8.230 nan 0.000 0.436 134 V N 0.990 120.657 119.914 -0.413 0.000 2.623 134 V HA 0.433 4.555 4.120 0.003 0.000 0.304 134 V C -1.041 174.873 176.094 -0.301 0.000 1.054 134 V CA -0.617 61.551 62.300 -0.220 0.000 0.882 134 V CB 2.292 34.076 31.823 -0.065 0.000 1.002 134 V HN 0.607 nan 8.190 nan 0.000 0.424 135 W N 3.895 125.226 121.300 0.052 0.000 2.587 135 W HA 0.590 5.252 4.660 0.004 0.000 0.324 135 W C -0.587 175.852 176.519 -0.133 0.000 1.040 135 W CA -0.456 56.908 57.345 0.032 0.000 1.222 135 W CB 2.251 31.794 29.460 0.139 0.000 1.381 135 W HN 0.753 nan 8.180 nan 0.000 0.483 136 D N 0.802 121.117 120.400 -0.141 0.000 2.523 136 D HA 0.764 5.406 4.640 0.003 0.000 0.236 136 D C -0.531 175.219 176.300 -0.916 0.000 1.094 136 D CA -0.512 53.106 54.000 -0.636 0.000 0.942 136 D CB 2.667 43.271 40.800 -0.327 0.000 1.447 136 D HN 0.428 nan 8.370 nan 0.000 0.479 137 G N -0.551 107.495 108.800 -1.257 0.000 2.632 137 G HA2 0.473 4.435 3.960 0.003 0.000 0.292 137 G HA3 0.473 4.435 3.960 0.003 0.000 0.292 137 G C -1.921 172.827 174.900 -0.253 0.000 1.465 137 G CA -0.774 43.911 45.100 -0.691 0.000 0.824 137 G HN 0.648 nan 8.290 nan 0.000 0.509 138 E N 0.354 120.629 120.200 0.124 0.000 2.335 138 E HA 0.442 4.794 4.350 0.003 0.000 0.280 138 E C -0.777 175.954 176.600 0.220 0.000 0.918 138 E CA -0.738 55.754 56.400 0.153 0.000 0.765 138 E CB 1.875 31.592 29.700 0.029 0.000 1.218 138 E HN 0.474 nan 8.360 nan 0.000 0.425 139 L N 3.951 125.287 121.223 0.188 0.000 2.436 139 L HA 0.298 4.640 4.340 0.003 0.000 0.265 139 L C 0.500 177.400 176.870 0.049 0.000 1.168 139 L CA -0.528 54.372 54.840 0.100 0.000 0.815 139 L CB 0.275 42.374 42.059 0.068 0.000 1.109 139 L HN 0.508 nan 8.230 nan 0.000 0.462 140 L N 1.695 122.935 121.223 0.028 0.000 2.467 140 L HA 0.007 4.349 4.340 0.003 0.000 0.270 140 L C 1.196 178.077 176.870 0.019 0.000 1.205 140 L CA 0.541 55.384 54.840 0.004 0.000 0.828 140 L CB 0.539 42.608 42.059 0.017 0.000 1.101 140 L HN 0.770 nan 8.230 nan 0.000 0.479 141 E N 0.869 121.060 120.200 -0.015 0.000 2.354 141 E HA 0.089 4.442 4.350 0.003 0.000 0.203 141 E C 0.007 176.615 176.600 0.013 0.000 0.841 141 E CA -0.155 56.249 56.400 0.006 0.000 1.046 141 E CB 0.590 30.282 29.700 -0.013 0.000 1.040 141 E HN 0.479 nan 8.360 nan 0.000 0.504 142 K N 1.409 121.780 120.400 -0.049 0.000 2.298 142 K HA 0.091 4.413 4.320 0.003 0.000 0.280 142 K C 0.758 177.441 176.600 0.138 0.000 1.032 142 K CA -0.346 55.945 56.287 0.007 0.000 0.958 142 K CB 1.756 34.147 32.500 -0.182 0.000 0.978 142 K HN 0.052 nan 8.250 nan 0.000 0.472 143 L N 2.578 123.910 121.223 0.181 0.000 2.034 143 L HA -0.053 4.289 4.340 0.003 0.000 0.203 143 L C 0.311 177.259 176.870 0.130 0.000 1.074 143 L CA 1.615 56.546 54.840 0.152 0.000 0.748 143 L CB 0.014 42.118 42.059 0.076 0.000 0.905 143 L HN 0.796 nan 8.230 nan 0.000 0.439 144 E N -0.895 119.352 120.200 0.079 0.000 2.356 144 E HA 0.688 5.040 4.350 0.003 0.000 0.275 144 E C -1.401 174.934 176.600 -0.442 0.000 0.904 144 E CA -0.795 55.501 56.400 -0.175 0.000 0.757 144 E CB 1.944 31.529 29.700 -0.191 0.000 1.232 144 E HN 0.186 nan 8.360 nan 0.000 0.442 145 A N 1.928 124.367 122.820 -0.635 0.000 2.594 145 A HA 0.647 4.969 4.320 0.003 0.000 0.295 145 A C -1.538 175.825 177.584 -0.368 0.000 1.071 145 A CA -0.925 50.683 52.037 -0.715 0.000 0.685 145 A CB 2.125 20.247 19.000 -1.464 0.000 1.285 145 A HN 0.564 nan 8.150 nan 0.000 0.405 146 K N 1.428 121.679 120.400 -0.249 0.000 2.483 146 K HA 0.433 4.755 4.320 0.003 0.000 0.256 146 K C -0.658 175.800 176.600 -0.236 0.000 0.961 146 K CA -0.270 55.923 56.287 -0.156 0.000 0.873 146 K CB 0.550 33.026 32.500 -0.040 0.000 1.107 146 K HN 0.601 nan 8.250 nan 0.000 0.432 147 E N 2.823 122.825 120.200 -0.331 0.000 2.269 147 E HA -0.257 4.095 4.350 0.003 0.000 0.223 147 E C 0.562 177.039 176.600 -0.205 0.000 1.244 147 E CA 1.497 57.666 56.400 -0.386 0.000 0.713 147 E CB -1.496 27.738 29.700 -0.776 0.000 1.178 147 E HN 1.180 nan 8.360 nan 0.000 0.370 148 G N -0.790 107.918 108.800 -0.154 0.000 2.268 148 G HA2 -0.312 3.650 3.960 0.003 0.000 0.240 148 G HA3 -0.312 3.650 3.960 0.003 0.000 0.240 148 G C 0.165 175.023 174.900 -0.071 0.000 1.010 148 G CA 0.503 45.567 45.100 -0.061 0.000 0.618 148 G HN 0.143 nan 8.290 nan 0.000 0.516 149 K N 2.243 122.576 120.400 -0.111 0.000 2.253 149 K HA 0.421 4.743 4.320 0.003 0.000 0.277 149 K C -2.380 174.119 176.600 -0.168 0.000 1.053 149 K CA -2.114 54.124 56.287 -0.082 0.000 0.892 149 K CB 1.888 34.371 32.500 -0.029 0.000 1.102 149 K HN 0.271 nan 8.250 nan 0.000 0.469 150 P HA 0.011 nan 4.420 nan 0.000 0.265 150 P C 0.447 177.678 177.300 -0.114 0.000 1.193 150 P CA 0.042 63.024 63.100 -0.195 0.000 0.765 150 P CB 0.742 32.451 31.700 0.016 0.000 0.823 151 L N 1.474 122.617 121.223 -0.133 0.000 2.492 151 L HA 0.020 4.362 4.340 0.003 0.000 0.223 151 L C 1.260 178.108 176.870 -0.036 0.000 1.132 151 L CA 0.719 55.516 54.840 -0.071 0.000 0.850 151 L CB -0.282 41.732 42.059 -0.075 0.000 0.966 151 L HN 0.613 nan 8.230 nan 0.000 0.454 152 S N -2.497 113.188 115.700 -0.024 0.000 2.663 152 S HA 0.101 4.573 4.470 0.003 0.000 0.264 152 S C -0.761 173.853 174.600 0.024 0.000 1.112 152 S CA -0.370 57.828 58.200 -0.002 0.000 0.823 152 S CB 0.836 64.031 63.200 -0.008 0.000 1.111 152 S HN 0.128 nan 8.310 nan 0.000 0.476 153 D N -0.370 120.045 120.400 0.024 0.000 2.342 153 D HA 0.215 4.857 4.640 0.003 0.000 0.221 153 D C 0.035 176.355 176.300 0.032 0.000 1.101 153 D CA -0.353 53.669 54.000 0.037 0.000 0.837 153 D CB -0.101 40.715 40.800 0.026 0.000 0.938 153 D HN 0.508 nan 8.370 nan 0.000 0.508 154 K N 0.682 121.095 120.400 0.021 0.000 2.436 154 K HA 0.223 4.545 4.320 0.003 0.000 0.275 154 K C 0.530 177.147 176.600 0.029 0.000 0.999 154 K CA 0.266 56.556 56.287 0.006 0.000 0.980 154 K CB 0.594 33.080 32.500 -0.024 0.000 0.919 154 K HN 0.278 nan 8.250 nan 0.000 0.484 155 T N -1.348 113.218 114.554 0.020 0.000 2.952 155 T HA 0.344 4.696 4.350 0.003 0.000 0.286 155 T C 1.472 176.208 174.700 0.060 0.000 1.024 155 T CA -0.903 61.224 62.100 0.045 0.000 1.029 155 T CB 0.793 69.685 68.868 0.040 0.000 1.094 155 T HN 0.447 nan 8.240 nan 0.000 0.515 156 I N 0.978 121.620 120.570 0.120 0.000 2.179 156 I HA -0.106 4.066 4.170 0.003 0.000 0.242 156 I C 2.988 179.253 176.117 0.246 0.000 1.088 156 I CA 1.671 63.107 61.300 0.226 0.000 1.357 156 I CB -0.712 37.457 38.000 0.281 0.000 1.051 156 I HN 0.874 nan 8.210 nan 0.000 0.409 157 A N 0.781 123.709 122.820 0.181 0.000 1.969 157 A HA -0.080 4.242 4.320 0.003 0.000 0.218 157 A C 2.407 180.049 177.584 0.095 0.000 1.169 157 A CA 1.754 53.889 52.037 0.164 0.000 0.635 157 A CB -1.281 17.785 19.000 0.110 0.000 0.810 157 A HN 0.473 nan 8.150 nan 0.000 0.445 158 G N -0.547 108.279 108.800 0.042 0.000 2.403 158 G HA2 -0.165 3.797 3.960 0.003 0.000 0.216 158 G HA3 -0.165 3.797 3.960 0.003 0.000 0.216 158 G C 1.463 176.319 174.900 -0.074 0.000 1.154 158 G CA 1.206 46.303 45.100 -0.005 0.000 0.784 158 G HN 0.569 nan 8.290 nan 0.000 0.538 159 E N -0.278 119.824 120.200 -0.164 0.000 2.107 159 E HA -0.012 4.340 4.350 0.003 0.000 0.191 159 E C -0.114 176.102 176.600 -0.640 0.000 0.982 159 E CA 0.491 56.616 56.400 -0.458 0.000 0.809 159 E CB -0.113 29.184 29.700 -0.673 0.000 0.756 159 E HN 0.466 nan 8.360 nan 0.000 0.459 160 Y N -0.737 119.585 120.300 0.037 0.000 2.787 160 Y HA 0.337 4.888 4.550 0.003 0.000 0.352 160 Y C -2.048 173.911 175.900 0.097 0.000 1.027 160 Y CA -2.727 55.394 58.100 0.035 0.000 1.219 160 Y CB 1.394 39.834 38.460 -0.034 0.000 1.110 160 Y HN 0.060 nan 8.280 nan 0.000 0.614 161 P HA -0.138 nan 4.420 nan 0.000 0.219 161 P C 0.721 178.112 177.300 0.152 0.000 1.146 161 P CA 1.601 64.778 63.100 0.127 0.000 0.808 161 P CB 0.472 32.216 31.700 0.074 0.000 0.779 162 D N -2.942 117.565 120.400 0.178 0.000 2.350 162 D HA -0.049 4.593 4.640 0.003 0.000 0.213 162 D C 1.498 177.946 176.300 0.246 0.000 1.031 162 D CA 0.203 54.303 54.000 0.167 0.000 0.861 162 D CB -0.403 40.473 40.800 0.128 0.000 0.926 162 D HN 0.126 nan 8.370 nan 0.000 0.520 163 Y N 1.942 122.321 120.300 0.131 0.000 2.181 163 Y HA -0.161 4.391 4.550 0.004 0.000 0.288 163 Y C 0.635 176.616 175.900 0.135 0.000 1.146 163 Y CA 1.021 59.204 58.100 0.139 0.000 1.164 163 Y CB -0.357 38.200 38.460 0.163 0.000 0.982 163 Y HN 0.026 nan 8.280 nan 0.000 0.515 164 Q N 1.365 121.275 119.800 0.184 0.000 2.402 164 Q HA -0.287 4.055 4.340 0.003 0.000 0.356 164 Q C -0.271 175.675 176.000 -0.089 0.000 1.344 164 Q CA 0.478 56.306 55.803 0.043 0.000 1.062 164 Q CB -1.329 27.440 28.738 0.051 0.000 1.268 164 Q HN 0.443 nan 8.270 nan 0.000 0.383 165 R N 1.519 121.896 120.500 -0.204 0.000 2.522 165 R HA 0.189 4.532 4.340 0.003 0.000 0.284 165 R C 0.224 176.379 176.300 -0.241 0.000 1.032 165 R CA 0.481 56.367 56.100 -0.357 0.000 1.049 165 R CB 0.536 30.623 30.300 -0.354 0.000 0.956 165 R HN 0.170 nan 8.270 nan 0.000 0.422 166 K N 3.939 124.159 120.400 -0.301 0.000 2.535 166 K HA 0.312 4.634 4.320 0.003 0.000 0.250 166 K C -1.084 175.415 176.600 -0.169 0.000 0.948 166 K CA -0.536 55.646 56.287 -0.176 0.000 0.796 166 K CB 1.196 33.617 32.500 -0.131 0.000 1.216 166 K HN 0.455 nan 8.250 nan 0.000 0.432 167 I N 2.536 123.060 120.570 -0.076 0.000 2.353 167 I HA 0.257 4.429 4.170 0.003 0.000 0.293 167 I C -0.247 175.838 176.117 -0.052 0.000 0.992 167 I CA -0.496 60.782 61.300 -0.038 0.000 1.268 167 I CB 1.904 39.943 38.000 0.065 0.000 1.387 167 I HN 0.496 nan 8.210 nan 0.000 0.478 168 S N 3.723 119.375 115.700 -0.080 0.000 2.548 168 S HA 0.719 5.191 4.470 0.003 0.000 0.286 168 S C -0.312 174.223 174.600 -0.108 0.000 1.098 168 S CA -0.660 57.493 58.200 -0.079 0.000 0.930 168 S CB 2.039 65.193 63.200 -0.076 0.000 1.070 168 S HN 0.715 nan 8.310 nan 0.000 0.480 169 A N 2.048 124.813 122.820 -0.093 0.000 2.322 169 A HA 0.773 5.095 4.320 0.003 0.000 0.269 169 A C 0.439 177.957 177.584 -0.109 0.000 1.094 169 A CA -0.366 51.603 52.037 -0.112 0.000 0.807 169 A CB 0.130 19.086 19.000 -0.074 0.000 1.047 169 A HN 0.849 nan 8.150 nan 0.000 0.487 170 T N -1.870 112.603 114.554 -0.134 0.000 2.887 170 T HA 0.485 4.837 4.350 0.003 0.000 0.292 170 T C 0.890 175.527 174.700 -0.104 0.000 1.087 170 T CA -0.412 61.615 62.100 -0.122 0.000 1.009 170 T CB 1.309 70.073 68.868 -0.173 0.000 1.203 170 T HN 0.767 nan 8.240 nan 0.000 0.518 171 R N 0.637 121.092 120.500 -0.075 0.000 2.193 171 R HA -0.028 4.314 4.340 0.003 0.000 0.229 171 R C 0.393 176.656 176.300 -0.062 0.000 1.110 171 R CA 1.767 57.835 56.100 -0.054 0.000 0.988 171 R CB -0.582 29.700 30.300 -0.030 0.000 0.871 171 R HN 0.730 nan 8.270 nan 0.000 0.458 172 D N -1.123 119.222 120.400 -0.092 0.000 2.599 172 D HA 0.262 4.904 4.640 0.003 0.000 0.249 172 D C 0.569 176.758 176.300 -0.185 0.000 1.313 172 D CA 0.147 54.089 54.000 -0.097 0.000 0.815 172 D CB 0.840 41.627 40.800 -0.022 0.000 1.077 172 D HN 0.318 nan 8.370 nan 0.000 0.492 173 G N 0.321 108.985 108.800 -0.227 0.000 2.530 173 G HA2 0.371 4.333 3.960 0.003 0.000 0.081 173 G HA3 0.371 4.333 3.960 0.003 0.000 0.081 173 G C -1.467 173.251 174.900 -0.304 0.000 1.062 173 G CA -0.135 44.788 45.100 -0.295 0.000 1.108 173 G HN 0.575 nan 8.290 nan 0.000 0.466 174 L N -2.051 118.964 121.223 -0.345 0.000 2.933 174 L HA 0.963 5.305 4.340 0.003 0.000 0.271 174 L C -1.336 175.390 176.870 -0.239 0.000 1.071 174 L CA -1.021 53.635 54.840 -0.306 0.000 0.938 174 L CB 2.049 43.842 42.059 -0.444 0.000 1.534 174 L HN 1.064 nan 8.230 nan 0.000 0.396 175 K N -0.229 120.077 120.400 -0.156 0.000 2.556 175 K HA 0.832 5.154 4.320 0.003 0.000 0.274 175 K C -1.972 174.596 176.600 -0.054 0.000 0.966 175 K CA -0.965 55.274 56.287 -0.080 0.000 0.865 175 K CB 2.513 34.956 32.500 -0.096 0.000 1.444 175 K HN 0.422 nan 8.250 nan 0.000 0.433 176 V N 1.588 121.476 119.914 -0.044 0.000 2.487 176 V HA 0.493 4.615 4.120 0.003 0.000 0.298 176 V C -0.385 175.413 176.094 -0.494 0.000 1.028 176 V CA -0.496 61.654 62.300 -0.251 0.000 0.860 176 V CB 1.591 33.264 31.823 -0.250 0.000 0.991 176 V HN 1.010 nan 8.190 nan 0.000 0.427 177 T N 1.215 115.416 114.554 -0.587 0.000 2.945 177 T HA 0.845 5.197 4.350 0.003 0.000 0.286 177 T C -0.936 173.263 174.700 -0.836 0.000 1.025 177 T CA -0.536 61.263 62.100 -0.503 0.000 1.039 177 T CB 1.617 70.365 68.868 -0.200 0.000 1.068 177 T HN 0.200 nan 8.240 nan 0.000 0.497 178 F N -0.238 119.700 119.950 -0.021 0.000 2.556 178 F HA 0.661 5.190 4.527 0.003 0.000 0.314 178 F C 0.897 176.729 175.800 0.052 0.000 1.106 178 F CA -0.961 57.019 58.000 -0.033 0.000 0.911 178 F CB 1.919 40.942 39.000 0.039 0.000 1.190 178 F HN 1.012 nan 8.300 nan 0.000 0.448 179 G N 0.892 109.843 108.800 0.251 0.000 2.616 179 G HA2 0.283 4.245 3.960 0.003 0.000 0.268 179 G HA3 0.283 4.245 3.960 0.003 0.000 0.268 179 G C -0.982 174.049 174.900 0.218 0.000 1.213 179 G CA -0.782 44.434 45.100 0.193 0.000 0.926 179 G HN 0.644 nan 8.290 nan 0.000 0.523 180 K N -0.322 120.159 120.400 0.135 0.000 2.316 180 K HA 0.397 4.719 4.320 0.003 0.000 0.289 180 K C -0.988 175.654 176.600 0.069 0.000 1.070 180 K CA -0.313 56.029 56.287 0.090 0.000 0.928 180 K CB 0.586 33.121 32.500 0.059 0.000 1.039 180 K HN 0.107 nan 8.250 nan 0.000 0.480 181 V N 6.001 125.925 119.914 0.018 0.000 2.483 181 V HA 0.345 4.467 4.120 0.003 0.000 0.297 181 V C -0.245 175.800 176.094 -0.083 0.000 1.027 181 V CA -0.944 61.328 62.300 -0.046 0.000 0.855 181 V CB 1.558 33.264 31.823 -0.195 0.000 0.995 181 V HN 0.715 nan 8.190 nan 0.000 0.424 182 R N 3.371 123.841 120.500 -0.051 0.000 3.472 182 R HA 0.470 4.812 4.340 0.003 0.000 0.322 182 R C 0.261 176.516 176.300 -0.076 0.000 1.330 182 R CA -0.270 55.792 56.100 -0.064 0.000 1.387 182 R CB 0.988 31.262 30.300 -0.043 0.000 1.446 182 R HN 0.700 nan 8.270 nan 0.000 0.628 183 A N 0.804 123.566 122.820 -0.096 0.000 2.666 183 A HA 0.225 4.547 4.320 0.003 0.000 0.312 183 A C 1.169 178.671 177.584 -0.137 0.000 1.471 183 A CA -0.291 51.702 52.037 -0.074 0.000 1.134 183 A CB -0.069 18.919 19.000 -0.019 0.000 1.129 183 A HN 0.385 nan 8.150 nan 0.000 0.539 184 T N 1.271 115.670 114.554 -0.257 0.000 2.684 184 T HA -0.272 4.080 4.350 0.003 0.000 0.267 184 T C 0.875 175.381 174.700 -0.323 0.000 1.032 184 T CA 2.370 64.184 62.100 -0.476 0.000 1.155 184 T CB -0.312 67.943 68.868 -1.022 0.000 0.857 184 T HN 0.881 nan 8.240 nan 0.000 0.457 185 W N 0.515 121.887 121.300 0.121 0.000 3.132 185 W HA 0.345 5.007 4.660 0.003 0.000 0.364 185 W C 1.332 177.482 176.519 -0.615 0.000 1.129 185 W CA -0.750 56.652 57.345 0.095 0.000 1.815 185 W CB 0.619 30.252 29.460 0.289 0.000 1.099 185 W HN 0.205 nan 8.180 nan 0.000 0.605 186 D N -0.984 119.085 120.400 -0.553 0.000 2.412 186 D HA 0.122 4.764 4.640 0.003 0.000 0.298 186 D C -0.458 175.486 176.300 -0.593 0.000 1.136 186 D CA 0.269 53.881 54.000 -0.647 0.000 0.988 186 D CB 0.832 41.552 40.800 -0.133 0.000 1.712 186 D HN -0.131 nan 8.370 nan 0.000 0.503 187 L N 1.652 122.629 121.223 -0.410 0.000 2.562 187 L HA 0.430 4.772 4.340 0.003 0.000 0.266 187 L C -2.179 174.537 176.870 -0.255 0.000 0.949 187 L CA -0.385 54.221 54.840 -0.389 0.000 0.879 187 L CB 1.843 43.391 42.059 -0.852 0.000 1.278 187 L HN -0.146 nan 8.230 nan 0.000 0.404 188 L N 4.775 125.914 121.223 -0.140 0.000 2.376 188 L HA 0.811 5.153 4.340 0.003 0.000 0.275 188 L C -0.439 176.310 176.870 -0.202 0.000 0.987 188 L CA -0.371 54.383 54.840 -0.144 0.000 0.828 188 L CB 2.175 44.181 42.059 -0.089 0.000 1.249 188 L HN 0.768 nan 8.230 nan 0.000 0.409 189 T N -2.509 111.949 114.554 -0.159 0.000 2.903 189 T HA 0.291 4.643 4.350 0.003 0.000 0.299 189 T C 0.688 175.352 174.700 -0.060 0.000 1.093 189 T CA -0.177 61.855 62.100 -0.113 0.000 1.002 189 T CB 1.881 70.745 68.868 -0.006 0.000 1.127 189 T HN 0.487 nan 8.240 nan 0.000 0.488 190 S N 0.239 115.915 115.700 -0.039 0.000 2.478 190 S HA 0.398 4.870 4.470 0.003 0.000 0.222 190 S C 1.926 176.552 174.600 0.044 0.000 1.008 190 S CA 0.647 58.852 58.200 0.009 0.000 0.928 190 S CB -0.633 62.581 63.200 0.025 0.000 0.781 190 S HN 2.279 nan 8.310 nan 0.000 0.518 191 G N 0.769 109.614 108.800 0.075 0.000 2.176 191 G HA2 -0.176 3.786 3.960 0.003 0.000 0.232 191 G HA3 -0.176 3.786 3.960 0.003 0.000 0.232 191 G C 0.442 175.397 174.900 0.091 0.000 0.986 191 G CA 0.323 45.479 45.100 0.093 0.000 0.643 191 G HN 0.485 nan 8.290 nan 0.000 0.522 192 E N 0.216 120.469 120.200 0.088 0.000 2.676 192 E HA 0.162 4.514 4.350 0.003 0.000 0.222 192 E C 1.008 177.671 176.600 0.104 0.000 0.968 192 E CA 0.647 57.095 56.400 0.080 0.000 1.090 192 E CB 0.867 30.600 29.700 0.054 0.000 1.066 192 E HN 0.707 nan 8.360 nan 0.000 0.496 193 S N 0.867 116.658 115.700 0.152 0.000 2.592 193 S HA 0.428 4.900 4.470 0.003 0.000 0.271 193 S C 0.137 174.965 174.600 0.381 0.000 1.326 193 S CA -0.323 57.997 58.200 0.200 0.000 1.024 193 S CB 1.738 65.034 63.200 0.160 0.000 0.921 193 S HN 0.009 nan 8.310 nan 0.000 0.527 194 E N 0.068 120.495 120.200 0.379 0.000 2.412 194 E HA 0.300 4.653 4.350 0.003 0.000 0.279 194 E C -2.110 174.789 176.600 0.497 0.000 0.984 194 E CA -0.672 55.958 56.400 0.383 0.000 0.788 194 E CB 1.681 31.475 29.700 0.157 0.000 1.277 194 E HN 0.691 nan 8.360 nan 0.000 0.455 195 Y N 1.771 122.246 120.300 0.292 0.000 2.338 195 Y HA 0.272 4.824 4.550 0.003 0.000 0.328 195 Y C -0.996 174.968 175.900 0.106 0.000 0.965 195 Y CA -0.315 57.907 58.100 0.203 0.000 1.208 195 Y CB 1.086 39.632 38.460 0.143 0.000 1.132 195 Y HN 0.359 nan 8.280 nan 0.000 0.469 196 Q N 4.466 124.124 119.800 -0.237 0.000 2.274 196 Q HA 0.692 5.034 4.340 0.003 0.000 0.260 196 Q C -1.362 174.504 176.000 -0.223 0.000 0.974 196 Q CA -1.297 54.404 55.803 -0.171 0.000 0.876 196 Q CB 2.964 31.704 28.738 0.004 0.000 1.297 196 Q HN 0.456 nan 8.270 nan 0.000 0.446 197 V N 2.401 122.188 119.914 -0.212 0.000 2.407 197 V HA 0.329 4.451 4.120 0.003 0.000 0.291 197 V C -1.156 174.732 176.094 -0.344 0.000 1.018 197 V CA -0.766 61.445 62.300 -0.149 0.000 0.842 197 V CB 1.125 32.924 31.823 -0.040 0.000 0.996 197 V HN 0.714 nan 8.190 nan 0.000 0.426 198 H N 2.988 121.934 119.070 -0.207 0.000 2.538 198 H HA 0.687 5.245 4.556 0.003 0.000 0.353 198 H C -0.448 174.750 175.328 -0.217 0.000 1.109 198 H CA -0.631 55.305 56.048 -0.186 0.000 1.192 198 H CB 1.796 31.466 29.762 -0.152 0.000 1.555 198 H HN 0.523 nan 8.280 nan 0.000 0.518 199 K N 0.526 120.867 120.400 -0.097 0.000 2.385 199 K HA 0.247 4.569 4.320 0.003 0.000 0.248 199 K C 0.424 176.987 176.600 -0.062 0.000 0.955 199 K CA -0.661 55.543 56.287 -0.139 0.000 0.816 199 K CB 2.217 34.553 32.500 -0.274 0.000 1.250 199 K HN 0.675 nan 8.250 nan 0.000 0.434 200 S N 0.751 116.437 115.700 -0.025 0.000 2.522 200 S HA -0.017 4.455 4.470 0.003 0.000 0.227 200 S C 0.784 175.393 174.600 0.015 0.000 0.986 200 S CA -0.070 58.147 58.200 0.027 0.000 0.929 200 S CB -0.647 62.620 63.200 0.112 0.000 0.769 200 S HN 0.544 nan 8.310 nan 0.000 0.529 201 L N -1.295 119.918 121.223 -0.017 0.000 2.362 201 L HA 0.804 5.146 4.340 0.003 0.000 0.271 201 L C -3.364 173.495 176.870 -0.018 0.000 1.002 201 L CA -2.623 52.220 54.840 0.006 0.000 0.818 201 L CB 1.200 43.286 42.059 0.046 0.000 1.298 201 L HN -0.264 nan 8.230 nan 0.000 0.420 202 P HA 0.239 nan 4.420 nan 0.000 0.268 202 P C -0.940 176.376 177.300 0.027 0.000 1.204 202 P CA -0.175 62.928 63.100 0.006 0.000 0.768 202 P CB 1.231 32.945 31.700 0.023 0.000 0.842 203 V N 0.171 120.088 119.914 0.004 0.000 2.971 203 V HA 0.459 4.581 4.120 0.003 0.000 0.309 203 V C -1.089 175.027 176.094 0.036 0.000 1.130 203 V CA -0.919 61.412 62.300 0.052 0.000 0.964 203 V CB 2.273 34.100 31.823 0.006 0.000 1.029 203 V HN 0.316 nan 8.190 nan 0.000 0.427 204 Q N 1.777 121.619 119.800 0.070 0.000 2.340 204 Q HA 0.524 4.866 4.340 0.003 0.000 0.259 204 Q C -0.679 175.358 176.000 0.061 0.000 0.964 204 Q CA -0.304 55.526 55.803 0.044 0.000 0.900 204 Q CB 1.908 30.670 28.738 0.039 0.000 1.228 204 Q HN 0.885 nan 8.270 nan 0.000 0.449 205 T N 2.477 117.051 114.554 0.033 0.000 2.771 205 T HA 0.260 4.612 4.350 0.003 0.000 0.281 205 T C -0.508 174.222 174.700 0.050 0.000 0.982 205 T CA -0.540 61.593 62.100 0.055 0.000 0.978 205 T CB 1.331 70.189 68.868 -0.017 0.000 0.930 205 T HN 0.455 nan 8.240 nan 0.000 0.447 206 E N 3.364 123.616 120.200 0.087 0.000 2.171 206 E HA 0.519 4.871 4.350 0.003 0.000 0.271 206 E C -1.038 175.619 176.600 0.095 0.000 0.916 206 E CA -0.651 55.786 56.400 0.062 0.000 0.774 206 E CB 0.921 30.645 29.700 0.039 0.000 1.128 206 E HN 0.538 nan 8.360 nan 0.000 0.403 207 I N 3.675 124.284 120.570 0.065 0.000 2.404 207 I HA 0.299 4.471 4.170 0.003 0.000 0.293 207 I C -0.746 175.401 176.117 0.050 0.000 0.992 207 I CA -0.743 60.605 61.300 0.080 0.000 1.149 207 I CB 1.742 39.774 38.000 0.053 0.000 1.315 207 I HN 0.482 nan 8.210 nan 0.000 0.446 208 N N 4.596 123.329 118.700 0.055 0.000 2.664 208 N HA 0.488 5.230 4.740 0.003 0.000 0.257 208 N C 0.365 175.895 175.510 0.033 0.000 1.108 208 N CA -0.011 53.057 53.050 0.030 0.000 0.822 208 N CB 1.739 40.236 38.487 0.016 0.000 1.199 208 N HN 0.940 nan 8.380 nan 0.000 0.529 209 G N 2.153 110.969 108.800 0.028 0.000 2.565 209 G HA2 -0.388 3.574 3.960 0.003 0.000 0.295 209 G HA3 -0.388 3.574 3.960 0.003 0.000 0.295 209 G C 0.304 175.229 174.900 0.042 0.000 1.165 209 G CA 0.034 45.149 45.100 0.026 0.000 0.977 209 G HN 0.520 nan 8.290 nan 0.000 0.546 210 N N 2.313 121.042 118.700 0.047 0.000 2.295 210 N HA 0.212 4.954 4.740 0.003 0.000 0.221 210 N C 0.803 176.386 175.510 0.121 0.000 1.129 210 N CA 0.909 54.004 53.050 0.075 0.000 0.836 210 N CB 0.099 38.618 38.487 0.054 0.000 1.040 210 N HN 0.878 nan 8.380 nan 0.000 0.494 211 R N -0.310 120.253 120.500 0.105 0.000 2.837 211 R HA 0.646 4.988 4.340 0.003 0.000 0.271 211 R C -1.047 175.337 176.300 0.139 0.000 0.993 211 R CA -0.837 55.314 56.100 0.085 0.000 0.931 211 R CB 1.230 31.527 30.300 -0.005 0.000 1.206 211 R HN -0.091 nan 8.270 nan 0.000 0.474 212 F N -1.625 118.310 119.950 -0.026 0.000 2.626 212 F HA 0.730 5.259 4.527 0.003 0.000 0.311 212 F C -1.714 174.060 175.800 -0.044 0.000 1.088 212 F CA -0.809 57.164 58.000 -0.044 0.000 0.949 212 F CB 2.441 41.397 39.000 -0.074 0.000 1.322 212 F HN 0.497 nan 8.300 nan 0.000 0.461 213 T N 1.538 116.184 114.554 0.154 0.000 2.991 213 T HA 0.577 4.929 4.350 0.003 0.000 0.303 213 T C -1.261 173.594 174.700 0.258 0.000 1.015 213 T CA -0.727 61.411 62.100 0.063 0.000 1.007 213 T CB 1.526 70.385 68.868 -0.015 0.000 1.034 213 T HN 0.714 nan 8.240 nan 0.000 0.446 214 S N 2.864 118.768 115.700 0.340 0.000 2.482 214 S HA 0.640 5.112 4.470 0.003 0.000 0.303 214 S C -0.573 174.246 174.600 0.365 0.000 1.091 214 S CA -1.000 57.411 58.200 0.352 0.000 1.057 214 S CB 1.360 64.805 63.200 0.407 0.000 1.031 214 S HN 0.521 nan 8.310 nan 0.000 0.485 215 K N 1.159 121.717 120.400 0.263 0.000 2.375 215 K HA 0.873 5.195 4.320 0.003 0.000 0.249 215 K C -1.084 175.667 176.600 0.251 0.000 0.942 215 K CA -0.861 55.549 56.287 0.205 0.000 0.806 215 K CB 2.241 34.779 32.500 0.063 0.000 1.227 215 K HN 0.667 nan 8.250 nan 0.000 0.430 216 A N 1.416 124.378 122.820 0.237 0.000 2.604 216 A HA 0.412 4.734 4.320 0.003 0.000 0.295 216 A C -1.995 175.697 177.584 0.181 0.000 1.067 216 A CA -0.665 51.519 52.037 0.244 0.000 0.683 216 A CB 1.430 20.664 19.000 0.390 0.000 1.281 216 A HN 0.775 nan 8.150 nan 0.000 0.407 217 H N 1.575 120.692 119.070 0.079 0.000 2.489 217 H HA 0.677 5.235 4.556 0.003 0.000 0.343 217 H C -1.421 173.942 175.328 0.057 0.000 1.086 217 H CA -0.412 55.666 56.048 0.050 0.000 1.198 217 H CB 1.315 31.096 29.762 0.032 0.000 1.490 217 H HN 0.787 nan 8.280 nan 0.000 0.504 218 I N 1.780 122.106 120.570 -0.407 0.000 2.603 218 I HA 0.350 4.522 4.170 0.003 0.000 0.300 218 I C 0.349 176.284 176.117 -0.303 0.000 1.017 218 I CA -0.748 60.433 61.300 -0.198 0.000 1.098 218 I CB 1.455 39.401 38.000 -0.091 0.000 1.279 218 I HN 0.394 nan 8.210 nan 0.000 0.437 219 N N 2.826 121.494 118.700 -0.055 0.000 2.412 219 N HA 0.321 5.063 4.740 0.003 0.000 0.184 219 N C 0.513 176.016 175.510 -0.011 0.000 1.101 219 N CA 0.704 53.761 53.050 0.011 0.000 0.881 219 N CB 0.845 39.378 38.487 0.077 0.000 0.969 219 N HN 0.997 nan 8.380 nan 0.000 0.459 220 G N -0.549 108.233 108.800 -0.031 0.000 2.360 220 G HA2 0.055 4.017 3.960 0.003 0.000 0.276 220 G HA3 0.055 4.017 3.960 0.003 0.000 0.276 220 G C -1.410 173.483 174.900 -0.012 0.000 1.256 220 G CA -0.699 44.391 45.100 -0.016 0.000 0.890 220 G HN -0.004 nan 8.290 nan 0.000 0.486 221 S N -0.108 115.591 115.700 -0.001 0.000 2.558 221 S HA 0.501 4.973 4.470 0.003 0.000 0.293 221 S C 0.228 174.831 174.600 0.006 0.000 1.292 221 S CA 1.145 59.346 58.200 0.002 0.000 1.063 221 S CB 0.900 64.104 63.200 0.006 0.000 0.831 221 S HN 1.073 nan 8.310 nan 0.000 0.499 222 T N 1.857 116.412 114.554 0.003 0.000 2.886 222 T HA 0.474 4.826 4.350 0.003 0.000 0.330 222 T C -1.438 173.255 174.700 -0.012 0.000 1.488 222 T CA -0.557 61.548 62.100 0.008 0.000 1.054 222 T CB 1.517 70.397 68.868 0.020 0.000 1.348 222 T HN 0.460 nan 8.240 nan 0.000 0.489 223 T N 3.783 118.324 114.554 -0.022 0.000 2.812 223 T HA 0.670 5.022 4.350 0.003 0.000 0.282 223 T C -0.418 174.181 174.700 -0.168 0.000 0.990 223 T CA -0.560 61.474 62.100 -0.109 0.000 0.960 223 T CB 0.515 69.326 68.868 -0.095 0.000 0.948 223 T HN 0.677 nan 8.240 nan 0.000 0.438 224 L N 0.638 121.704 121.223 -0.261 0.000 2.303 224 L HA 0.915 5.257 4.340 0.003 0.000 0.266 224 L C -1.538 174.997 176.870 -0.558 0.000 1.011 224 L CA -1.214 53.488 54.840 -0.230 0.000 0.818 224 L CB 1.245 43.278 42.059 -0.044 0.000 1.326 224 L HN 0.440 nan 8.230 nan 0.000 0.435 225 Y N -1.042 119.242 120.300 -0.028 0.000 2.462 225 Y HA 0.730 5.282 4.550 0.003 0.000 0.346 225 Y C -0.334 175.482 175.900 -0.139 0.000 0.976 225 Y CA -0.579 57.481 58.100 -0.067 0.000 1.044 225 Y CB 2.762 41.192 38.460 -0.051 0.000 1.230 225 Y HN 0.642 nan 8.280 nan 0.000 0.455 226 T N 1.511 116.015 114.554 -0.084 0.000 2.886 226 T HA 0.528 4.880 4.350 0.003 0.000 0.292 226 T C -0.633 173.824 174.700 -0.404 0.000 1.012 226 T CA -1.014 60.916 62.100 -0.283 0.000 0.982 226 T CB 1.397 70.010 68.868 -0.426 0.000 1.018 226 T HN 0.619 nan 8.240 nan 0.000 0.451 227 T N 0.315 114.636 114.554 -0.388 0.000 2.855 227 T HA 0.734 5.086 4.350 0.003 0.000 0.281 227 T C -1.421 173.034 174.700 -0.408 0.000 1.007 227 T CA -0.757 61.133 62.100 -0.349 0.000 1.009 227 T CB 0.853 69.610 68.868 -0.185 0.000 0.983 227 T HN 0.413 nan 8.240 nan 0.000 0.455 228 Y N 0.570 120.826 120.300 -0.074 0.000 2.350 228 Y HA 0.634 5.186 4.550 0.003 0.000 0.338 228 Y C 0.114 175.835 175.900 -0.298 0.000 0.961 228 Y CA -1.093 56.877 58.100 -0.217 0.000 1.100 228 Y CB 2.293 40.764 38.460 0.019 0.000 1.179 228 Y HN 0.798 nan 8.280 nan 0.000 0.454 229 S N 1.898 117.390 115.700 -0.347 0.000 2.557 229 S HA 0.268 4.740 4.470 0.003 0.000 0.291 229 S C -1.697 172.804 174.600 -0.165 0.000 1.116 229 S CA -0.742 57.344 58.200 -0.190 0.000 0.992 229 S CB 0.922 64.109 63.200 -0.023 0.000 1.028 229 S HN 0.626 nan 8.310 nan 0.000 0.484 230 H N 3.155 122.186 119.070 -0.065 0.000 2.581 230 H HA 0.604 5.162 4.556 0.003 0.000 0.308 230 H C -1.354 174.088 175.328 0.189 0.000 1.040 230 H CA -0.764 55.396 56.048 0.186 0.000 1.231 230 H CB 0.019 29.986 29.762 0.342 0.000 1.396 230 H HN 0.482 nan 8.280 nan 0.000 0.467 231 L N 6.339 127.565 121.223 0.004 0.000 2.305 231 L HA 0.220 4.562 4.340 0.003 0.000 0.284 231 L C 0.232 176.990 176.870 -0.186 0.000 1.013 231 L CA -0.744 54.046 54.840 -0.084 0.000 0.819 231 L CB 1.696 43.767 42.059 0.021 0.000 1.227 231 L HN 0.542 nan 8.230 nan 0.000 0.417 232 L N 1.630 122.691 121.223 -0.270 0.000 2.529 232 L HA 0.149 4.491 4.340 0.003 0.000 0.223 232 L C 1.020 177.851 176.870 -0.066 0.000 1.113 232 L CA 0.631 55.317 54.840 -0.258 0.000 0.861 232 L CB -0.132 41.645 42.059 -0.470 0.000 1.012 232 L HN 0.801 nan 8.230 nan 0.000 0.461 233 T N -6.303 108.249 114.554 -0.003 0.000 2.864 233 T HA 0.650 5.002 4.350 0.003 0.000 0.299 233 T C 0.893 175.611 174.700 0.029 0.000 1.166 233 T CA -0.254 61.869 62.100 0.039 0.000 1.007 233 T CB 1.586 70.495 68.868 0.069 0.000 1.219 233 T HN -0.157 nan 8.240 nan 0.000 0.506 234 A N 0.505 123.344 122.820 0.032 0.000 1.933 234 A HA -0.058 4.264 4.320 0.003 0.000 0.218 234 A C 2.171 179.764 177.584 0.016 0.000 1.175 234 A CA 1.805 53.857 52.037 0.025 0.000 0.628 234 A CB -1.126 17.888 19.000 0.023 0.000 0.814 234 A HN 0.793 nan 8.150 nan 0.000 0.444 235 Q N 0.101 119.908 119.800 0.012 0.000 2.084 235 Q HA -0.138 4.204 4.340 0.003 0.000 0.202 235 Q C 1.876 177.877 176.000 0.001 0.000 0.978 235 Q CA 1.869 57.674 55.803 0.003 0.000 0.844 235 Q CB -0.355 28.380 28.738 -0.005 0.000 0.898 235 Q HN 0.801 nan 8.270 nan 0.000 0.426 236 E N -0.360 119.841 120.200 0.002 0.000 2.110 236 E HA -0.133 4.219 4.350 0.003 0.000 0.193 236 E C 1.976 178.580 176.600 0.007 0.000 0.988 236 E CA 1.233 57.634 56.400 0.000 0.000 0.804 236 E CB -0.026 29.668 29.700 -0.010 0.000 0.745 236 E HN 0.132 nan 8.360 nan 0.000 0.458 237 V N 1.137 121.060 119.914 0.014 0.000 2.295 237 V HA -0.266 3.856 4.120 0.003 0.000 0.246 237 V C 2.293 178.394 176.094 0.012 0.000 1.049 237 V CA 1.937 64.249 62.300 0.021 0.000 1.024 237 V CB -0.423 31.418 31.823 0.031 0.000 0.648 237 V HN 0.201 nan 8.190 nan 0.000 0.447 238 S N -0.531 115.173 115.700 0.007 0.000 2.345 238 S HA -0.233 4.239 4.470 0.003 0.000 0.220 238 S C 2.034 176.630 174.600 -0.007 0.000 1.031 238 S CA 1.768 59.968 58.200 0.001 0.000 0.996 238 S CB -0.346 62.854 63.200 0.001 0.000 0.882 238 S HN 0.601 nan 8.310 nan 0.000 0.445 239 K N 1.060 121.457 120.400 -0.005 0.000 2.147 239 K HA -0.152 4.170 4.320 0.003 0.000 0.205 239 K C 1.948 178.541 176.600 -0.011 0.000 1.049 239 K CA 1.485 57.769 56.287 -0.006 0.000 0.936 239 K CB -0.094 32.406 32.500 -0.001 0.000 0.722 239 K HN 0.145 nan 8.250 nan 0.000 0.446 240 E N 0.726 120.919 120.200 -0.013 0.000 2.274 240 E HA -0.071 4.281 4.350 0.003 0.000 0.194 240 E C 0.347 176.902 176.600 -0.075 0.000 0.996 240 E CA 0.482 56.865 56.400 -0.027 0.000 0.840 240 E CB 0.128 29.821 29.700 -0.013 0.000 0.772 240 E HN 0.243 nan 8.360 nan 0.000 0.491 244 I N 1.827 122.283 120.570 -0.190 0.000 2.208 244 I HA -0.185 3.987 4.170 0.003 0.000 0.245 244 I C 2.316 178.299 176.117 -0.224 0.000 1.097 244 I CA 1.573 62.712 61.300 -0.268 0.000 1.363 244 I CB -0.698 37.038 38.000 -0.440 0.000 1.051 244 I HN 0.235 nan 8.210 nan 0.000 0.413 245 R N 0.499 120.896 120.500 -0.171 0.000 2.081 245 R HA -0.173 4.169 4.340 0.003 0.000 0.235 245 R C 1.891 178.140 176.300 -0.084 0.000 1.131 245 R CA 1.514 57.547 56.100 -0.113 0.000 0.960 245 R CB -0.256 29.995 30.300 -0.080 0.000 0.856 245 R HN 0.389 nan 8.270 nan 0.000 0.436 246 D N 0.577 120.937 120.400 -0.067 0.000 2.144 246 D HA -0.112 4.530 4.640 0.003 0.000 0.199 246 D C 1.921 178.223 176.300 0.002 0.000 0.984 246 D CA 1.026 55.027 54.000 0.001 0.000 0.834 246 D CB -0.109 40.734 40.800 0.070 0.000 0.955 246 D HN 0.228 nan 8.370 nan 0.000 0.465 247 I N 0.560 120.991 120.570 -0.232 0.000 2.179 247 I HA -0.223 3.949 4.170 0.003 0.000 0.242 247 I C 2.297 178.281 176.117 -0.221 0.000 1.088 247 I CA 0.749 61.744 61.300 -0.508 0.000 1.357 247 I CB -0.140 37.460 38.000 -0.667 0.000 1.051 247 I HN -0.046 nan 8.210 nan 0.000 0.409 248 L N 0.359 121.483 121.223 -0.166 0.000 2.362 248 L HA -0.100 4.242 4.340 0.003 0.000 0.219 248 L C 2.534 179.364 176.870 -0.068 0.000 1.134 248 L CA 0.718 55.493 54.840 -0.108 0.000 0.807 248 L CB -0.512 41.503 42.059 -0.073 0.000 0.927 248 L HN 0.238 nan 8.230 nan 0.000 0.447 249 A N -0.321 122.477 122.820 -0.038 0.000 2.081 249 A HA 0.066 4.388 4.320 0.003 0.000 0.214 249 A C 1.525 179.126 177.584 0.028 0.000 1.158 249 A CA 0.447 52.480 52.037 -0.006 0.000 0.724 249 A CB 0.099 19.094 19.000 -0.008 0.000 0.826 249 A HN 0.321 nan 8.150 nan 0.000 0.463 250 R N -0.728 119.819 120.500 0.078 0.000 2.647 250 R HA 0.142 4.484 4.340 0.003 0.000 0.295 250 R C -2.153 174.311 176.300 0.272 0.000 1.267 250 R CA -1.100 55.132 56.100 0.220 0.000 1.386 250 R CB 0.993 31.379 30.300 0.143 0.000 1.309 250 R HN 0.276 nan 8.270 nan 0.000 0.692 251 P HA -0.242 nan 4.420 nan 0.000 0.216 251 P C 1.214 178.474 177.300 -0.068 0.000 1.153 251 P CA 1.634 64.586 63.100 -0.247 0.000 0.858 251 P CB 0.367 31.363 31.700 -1.173 0.000 0.789 252 A N -0.904 121.860 122.820 -0.093 0.000 1.972 252 A HA -0.149 4.173 4.320 0.003 0.000 0.219 252 A C 2.098 179.633 177.584 -0.082 0.000 1.169 252 A CA 1.274 53.265 52.037 -0.077 0.000 0.635 252 A CB -1.745 17.162 19.000 -0.156 0.000 0.810 252 A HN 0.084 nan 8.150 nan 0.000 0.446 253 F N -1.942 118.004 119.950 -0.005 0.000 2.186 253 F HA -0.110 4.419 4.527 0.003 0.000 0.299 253 F C 2.129 177.868 175.800 -0.103 0.000 1.090 253 F CA 1.432 59.392 58.000 -0.067 0.000 1.307 253 F CB -0.528 38.392 39.000 -0.133 0.000 1.019 253 F HN 0.273 nan 8.300 nan 0.000 0.489 254 Y N -0.255 120.144 120.300 0.165 0.000 2.263 254 Y HA -0.137 4.415 4.550 0.003 0.000 0.292 254 Y C 2.252 178.219 175.900 0.111 0.000 1.130 254 Y CA 1.015 59.188 58.100 0.121 0.000 1.179 254 Y CB -0.561 37.947 38.460 0.080 0.000 0.998 254 Y HN -0.036 nan 8.280 nan 0.000 0.532 255 L N -1.111 120.244 121.223 0.219 0.000 2.017 255 L HA -0.236 4.106 4.340 0.003 0.000 0.208 255 L C 2.300 179.246 176.870 0.127 0.000 1.073 255 L CA 1.719 56.657 54.840 0.164 0.000 0.745 255 L CB -0.963 41.172 42.059 0.127 0.000 0.894 255 L HN 0.175 nan 8.230 nan 0.000 0.432 256 T N -0.032 114.564 114.554 0.070 0.000 2.746 256 T HA -0.172 4.180 4.350 0.003 0.000 0.267 256 T C 2.013 176.758 174.700 0.074 0.000 1.039 256 T CA 1.333 63.458 62.100 0.041 0.000 1.142 256 T CB -0.232 68.613 68.868 -0.038 0.000 0.866 256 T HN 0.448 nan 8.240 nan 0.000 0.444 257 A N 1.025 123.892 122.820 0.079 0.000 1.908 257 A HA -0.114 4.208 4.320 0.003 0.000 0.218 257 A C 2.567 180.239 177.584 0.147 0.000 1.181 257 A CA 2.206 54.292 52.037 0.081 0.000 0.627 257 A CB -1.061 17.960 19.000 0.035 0.000 0.818 257 A HN 0.474 nan 8.150 nan 0.000 0.445 258 S N -0.951 114.882 115.700 0.222 0.000 2.355 258 S HA -0.256 4.216 4.470 0.003 0.000 0.222 258 S C 2.249 177.071 174.600 0.370 0.000 1.031 258 S CA 1.711 60.119 58.200 0.348 0.000 0.993 258 S CB -0.425 62.998 63.200 0.372 0.000 0.859 258 S HN 0.679 nan 8.310 nan 0.000 0.453 259 Q N 0.157 120.106 119.800 0.247 0.000 2.061 259 Q HA -0.214 4.128 4.340 0.003 0.000 0.204 259 Q C 2.321 178.438 176.000 0.196 0.000 0.984 259 Q CA 1.921 57.853 55.803 0.215 0.000 0.846 259 Q CB -0.263 28.555 28.738 0.134 0.000 0.902 259 Q HN 0.710 nan 8.270 nan 0.000 0.421 260 Q N -0.210 119.665 119.800 0.125 0.000 2.119 260 Q HA -0.179 4.163 4.340 0.003 0.000 0.201 260 Q C 2.195 178.195 176.000 0.001 0.000 0.972 260 Q CA 1.290 57.131 55.803 0.063 0.000 0.847 260 Q CB -0.207 28.552 28.738 0.034 0.000 0.903 260 Q HN 0.308 nan 8.270 nan 0.000 0.433 261 R N 0.072 120.559 120.500 -0.021 0.000 2.081 261 R HA -0.178 4.164 4.340 0.003 0.000 0.235 261 R C 1.597 177.541 176.300 -0.594 0.000 1.131 261 R CA 1.560 57.485 56.100 -0.293 0.000 0.960 261 R CB -0.128 30.050 30.300 -0.204 0.000 0.856 261 R HN 0.287 nan 8.270 nan 0.000 0.436 262 W N 0.979 122.178 121.300 -0.168 0.000 2.436 262 W HA -0.027 4.635 4.660 0.003 0.000 0.284 262 W C 2.221 178.772 176.519 0.054 0.000 1.225 262 W CA 0.377 57.739 57.345 0.028 0.000 1.271 262 W CB 0.114 29.704 29.460 0.217 0.000 1.114 262 W HN 0.109 nan 8.180 nan 0.000 0.559 263 E N 0.228 120.552 120.200 0.207 0.000 2.110 263 E HA -0.231 4.121 4.350 0.003 0.000 0.193 263 E C 1.798 178.452 176.600 0.089 0.000 0.988 263 E CA 1.402 57.898 56.400 0.161 0.000 0.804 263 E CB -0.427 29.343 29.700 0.116 0.000 0.745 263 E HN 0.515 nan 8.360 nan 0.000 0.458 264 E N -0.272 119.912 120.200 -0.027 0.000 2.072 264 E HA -0.177 4.175 4.350 0.003 0.000 0.191 264 E C 1.727 178.338 176.600 0.018 0.000 0.985 264 E CA 0.641 57.009 56.400 -0.054 0.000 0.801 264 E CB -0.046 29.561 29.700 -0.155 0.000 0.750 264 E HN 0.178 nan 8.360 nan 0.000 0.452 265 Y N 0.866 121.163 120.300 -0.005 0.000 2.128 265 Y HA -0.209 4.343 4.550 0.003 0.000 0.284 265 Y C 2.231 178.143 175.900 0.020 0.000 1.154 265 Y CA 1.051 59.142 58.100 -0.015 0.000 1.149 265 Y CB -0.639 37.715 38.460 -0.177 0.000 0.976 265 Y HN 0.099 nan 8.280 nan 0.000 0.505 266 L N -0.519 120.841 121.223 0.228 0.000 2.056 266 L HA -0.191 4.151 4.340 0.003 0.000 0.207 266 L C 2.449 179.409 176.870 0.149 0.000 1.078 266 L CA 1.525 56.459 54.840 0.158 0.000 0.749 266 L CB -0.513 41.672 42.059 0.210 0.000 0.901 266 L HN 0.069 nan 8.230 nan 0.000 0.433 267 K N 0.942 121.428 120.400 0.143 0.000 2.057 267 K HA -0.152 4.170 4.320 0.003 0.000 0.207 267 K C 2.007 178.686 176.600 0.132 0.000 1.049 267 K CA 1.578 57.940 56.287 0.124 0.000 0.931 267 K CB -0.026 32.529 32.500 0.091 0.000 0.714 267 K HN 0.115 nan 8.250 nan 0.000 0.440 268 K N -1.174 119.309 120.400 0.139 0.000 2.103 268 K HA 0.015 4.337 4.320 0.003 0.000 0.204 268 K C 2.099 178.839 176.600 0.234 0.000 1.052 268 K CA 1.233 57.613 56.287 0.155 0.000 0.945 268 K CB -0.138 32.442 32.500 0.133 0.000 0.722 268 K HN 0.344 nan 8.250 nan 0.000 0.443 269 G N 1.128 110.078 108.800 0.249 0.000 2.426 269 G HA2 -0.044 3.918 3.960 0.003 0.000 0.214 269 G HA3 -0.044 3.918 3.960 0.003 0.000 0.214 269 G C 0.741 175.881 174.900 0.399 0.000 1.156 269 G CA -0.035 45.259 45.100 0.324 0.000 0.802 269 G HN 0.064 nan 8.290 nan 0.000 0.534 270 L N 3.001 124.376 121.223 0.254 0.000 2.399 270 L HA 0.242 4.584 4.340 0.003 0.000 0.257 270 L C 1.095 178.155 176.870 0.318 0.000 1.236 270 L CA -0.088 54.931 54.840 0.299 0.000 1.144 270 L CB 0.335 42.489 42.059 0.159 0.000 1.379 270 L HN 0.183 nan 8.230 nan 0.000 0.414 271 T N -3.677 111.075 114.554 0.330 0.000 3.129 271 T HA 0.074 4.426 4.350 0.003 0.000 0.267 271 T C 0.608 175.344 174.700 0.060 0.000 1.018 271 T CA -0.480 61.724 62.100 0.172 0.000 0.903 271 T CB -0.183 68.771 68.868 0.143 0.000 1.067 271 T HN 0.248 nan 8.240 nan 0.000 0.549 272 N N 3.342 122.043 118.700 0.002 0.000 2.558 272 N HA 0.268 5.010 4.740 0.003 0.000 0.233 272 N C -1.438 174.049 175.510 -0.039 0.000 1.038 272 N CA -2.416 50.512 53.050 -0.203 0.000 0.934 272 N CB 1.591 39.635 38.487 -0.738 0.000 1.175 272 N HN 0.090 nan 8.380 nan 0.000 0.512 273 P HA 0.037 nan 4.420 nan 0.000 0.237 273 P C -0.364 176.943 177.300 0.011 0.000 1.178 273 P CA 0.721 63.836 63.100 0.024 0.000 0.766 273 P CB 0.603 32.315 31.700 0.019 0.000 0.876 274 D N -0.304 120.083 120.400 -0.022 0.000 2.363 274 D HA 0.188 4.830 4.640 0.003 0.000 0.214 274 D C 0.829 177.120 176.300 -0.016 0.000 1.093 274 D CA -0.011 53.978 54.000 -0.018 0.000 0.837 274 D CB 0.531 41.313 40.800 -0.030 0.000 0.948 274 D HN 0.140 nan 8.370 nan 0.000 0.507 275 A N 1.092 123.910 122.820 -0.002 0.000 2.340 275 A HA 0.451 4.773 4.320 0.003 0.000 0.268 275 A C 0.923 178.536 177.584 0.048 0.000 1.100 275 A CA -0.377 51.679 52.037 0.032 0.000 0.803 275 A CB 0.386 19.479 19.000 0.156 0.000 1.043 275 A HN 0.123 nan 8.150 nan 0.000 0.488 276 T N -0.304 114.248 114.554 -0.004 0.000 2.849 276 T HA 0.396 4.748 4.350 0.003 0.000 0.284 276 T C -1.996 172.744 174.700 0.066 0.000 1.004 276 T CA -1.260 60.844 62.100 0.007 0.000 1.021 276 T CB 0.618 69.456 68.868 -0.050 0.000 1.013 276 T HN 0.306 nan 8.240 nan 0.000 0.527 277 P HA -0.067 nan 4.420 nan 0.000 0.216 277 P C 1.218 178.606 177.300 0.146 0.000 1.150 277 P CA 0.983 64.157 63.100 0.123 0.000 0.837 277 P CB 0.047 31.803 31.700 0.092 0.000 0.786 278 E N -0.473 119.806 120.200 0.131 0.000 2.072 278 E HA -0.178 4.174 4.350 0.003 0.000 0.191 278 E C 2.102 178.860 176.600 0.263 0.000 0.985 278 E CA 1.238 57.759 56.400 0.201 0.000 0.801 278 E CB -0.854 29.001 29.700 0.258 0.000 0.750 278 E HN 0.412 nan 8.360 nan 0.000 0.452 279 Q N -0.295 119.568 119.800 0.104 0.000 2.123 279 Q HA -0.046 4.296 4.340 0.003 0.000 0.199 279 Q C 2.018 178.152 176.000 0.223 0.000 0.966 279 Q CA 1.555 57.397 55.803 0.065 0.000 0.845 279 Q CB -0.077 28.526 28.738 -0.226 0.000 0.907 279 Q HN 0.222 nan 8.270 nan 0.000 0.439 280 T N 0.888 115.556 114.554 0.190 0.000 2.777 280 T HA -0.165 4.187 4.350 0.003 0.000 0.266 280 T C 1.697 176.358 174.700 -0.065 0.000 1.040 280 T CA 1.293 63.434 62.100 0.070 0.000 1.141 280 T CB -0.159 68.822 68.868 0.189 0.000 0.868 280 T HN 0.273 nan 8.240 nan 0.000 0.444 281 R N 0.761 121.305 120.500 0.074 0.000 2.096 281 R HA -0.072 4.270 4.340 0.003 0.000 0.235 281 R C 2.187 178.497 176.300 0.016 0.000 1.127 281 R CA 1.091 57.222 56.100 0.051 0.000 0.968 281 R CB -0.472 29.921 30.300 0.156 0.000 0.861 281 R HN 0.227 nan 8.270 nan 0.000 0.440 282 V N 1.033 121.003 119.914 0.093 0.000 2.427 282 V HA -0.196 3.926 4.120 0.003 0.000 0.248 282 V C 2.483 178.616 176.094 0.064 0.000 1.051 282 V CA 1.842 64.224 62.300 0.136 0.000 1.048 282 V CB -0.616 31.384 31.823 0.295 0.000 0.666 282 V HN 0.564 nan 8.190 nan 0.000 0.456 283 A N -0.250 122.521 122.820 -0.081 0.000 1.933 283 A HA -0.150 4.172 4.320 0.003 0.000 0.218 283 A C 2.375 179.829 177.584 -0.217 0.000 1.175 283 A CA 2.002 53.903 52.037 -0.227 0.000 0.628 283 A CB -0.610 17.821 19.000 -0.947 0.000 0.814 283 A HN 0.344 nan 8.150 nan 0.000 0.444 284 V N 0.217 119.960 119.914 -0.286 0.000 2.427 284 V HA -0.247 3.875 4.120 0.003 0.000 0.248 284 V C 2.512 178.526 176.094 -0.133 0.000 1.051 284 V CA 2.285 64.405 62.300 -0.300 0.000 1.048 284 V CB -0.622 30.886 31.823 -0.525 0.000 0.666 284 V HN 0.679 nan 8.190 nan 0.000 0.456 285 K N 0.347 120.713 120.400 -0.056 0.000 2.057 285 K HA -0.183 4.139 4.320 0.003 0.000 0.207 285 K C 2.191 178.807 176.600 0.028 0.000 1.049 285 K CA 1.551 57.849 56.287 0.019 0.000 0.931 285 K CB -0.297 32.237 32.500 0.057 0.000 0.714 285 K HN 0.430 nan 8.250 nan 0.000 0.440 286 A N 1.312 124.142 122.820 0.018 0.000 1.902 286 A HA -0.135 4.187 4.320 0.003 0.000 0.217 286 A C 2.069 179.611 177.584 -0.070 0.000 1.181 286 A CA 1.413 53.469 52.037 0.032 0.000 0.623 286 A CB -0.514 18.553 19.000 0.111 0.000 0.818 286 A HN 0.338 nan 8.150 nan 0.000 0.443 287 I N -0.575 119.839 120.570 -0.259 0.000 2.179 287 I HA -0.254 3.918 4.170 0.003 0.000 0.242 287 I C 2.543 178.618 176.117 -0.071 0.000 1.088 287 I CA 1.581 62.577 61.300 -0.507 0.000 1.357 287 I CB -0.431 37.123 38.000 -0.742 0.000 1.051 287 I HN 0.428 nan 8.210 nan 0.000 0.409 288 E N 0.203 120.457 120.200 0.090 0.000 2.077 288 E HA -0.189 4.163 4.350 0.003 0.000 0.193 288 E C 2.148 178.884 176.600 0.227 0.000 0.989 288 E CA 1.869 58.431 56.400 0.271 0.000 0.800 288 E CB -0.092 29.718 29.700 0.184 0.000 0.746 288 E HN 0.488 nan 8.360 nan 0.000 0.452 289 T N 1.531 116.166 114.554 0.136 0.000 2.674 289 T HA -0.126 4.226 4.350 0.003 0.000 0.265 289 T C 2.018 176.780 174.700 0.103 0.000 1.039 289 T CA 0.852 63.023 62.100 0.119 0.000 1.150 289 T CB -0.248 68.673 68.868 0.088 0.000 0.864 289 T HN 0.065 nan 8.240 nan 0.000 0.427 290 L N 1.155 122.436 121.223 0.096 0.000 2.046 290 L HA -0.113 4.229 4.340 0.003 0.000 0.208 290 L C 2.558 179.503 176.870 0.125 0.000 1.077 290 L CA 1.020 55.913 54.840 0.089 0.000 0.747 290 L CB -0.575 41.566 42.059 0.137 0.000 0.896 290 L HN 0.183 nan 8.230 nan 0.000 0.432 291 N N 0.168 118.973 118.700 0.174 0.000 2.309 291 N HA -0.112 4.630 4.740 0.003 0.000 0.182 291 N C 1.797 177.484 175.510 0.294 0.000 1.018 291 N CA 1.366 54.578 53.050 0.270 0.000 0.876 291 N CB -0.414 38.188 38.487 0.192 0.000 0.972 291 N HN 0.362 nan 8.380 nan 0.000 0.434 292 G N 0.243 109.173 108.800 0.217 0.000 2.511 292 G HA2 -0.143 3.819 3.960 0.003 0.000 0.217 292 G HA3 -0.143 3.819 3.960 0.003 0.000 0.217 292 G C 1.312 176.172 174.900 -0.067 0.000 1.133 292 G CA 0.231 45.402 45.100 0.119 0.000 0.792 292 G HN 0.261 nan 8.290 nan 0.000 0.539 293 N N -0.507 118.181 118.700 -0.019 0.000 2.336 293 N HA 0.054 4.796 4.740 0.003 0.000 0.189 293 N C -0.066 175.424 175.510 -0.032 0.000 1.113 293 N CA -0.361 52.632 53.050 -0.095 0.000 0.858 293 N CB 0.099 38.552 38.487 -0.058 0.000 0.970 293 N HN 0.524 nan 8.380 nan 0.000 0.471 294 W N 3.075 124.269 121.300 -0.176 0.000 2.311 294 W HA 0.355 5.017 4.660 0.003 0.000 0.310 294 W C -0.512 175.881 176.519 -0.209 0.000 1.274 294 W CA -0.839 56.412 57.345 -0.157 0.000 1.215 294 W CB 0.482 29.868 29.460 -0.122 0.000 1.227 294 W HN -0.239 nan 8.180 nan 0.000 0.523 295 R N 4.576 125.122 120.500 0.076 0.000 2.670 295 R HA 0.351 4.693 4.340 0.003 0.000 0.289 295 R C 0.174 176.570 176.300 0.159 0.000 0.965 295 R CA -0.666 55.308 56.100 -0.210 0.000 0.899 295 R CB 1.676 31.763 30.300 -0.356 0.000 1.173 295 R HN 0.721 nan 8.270 nan 0.000 0.456 296 S N 1.997 117.809 115.700 0.187 0.000 2.634 296 S HA 0.413 4.885 4.470 0.003 0.000 0.261 296 S C -2.304 172.570 174.600 0.458 0.000 1.271 296 S CA -1.146 57.278 58.200 0.374 0.000 0.985 296 S CB 0.433 63.831 63.200 0.329 0.000 0.968 296 S HN 0.249 nan 8.310 nan 0.000 0.568 297 P HA 0.365 nan 4.420 nan 0.000 0.265 297 P C -0.209 177.163 177.300 0.121 0.000 1.187 297 P CA 0.394 63.605 63.100 0.185 0.000 0.766 297 P CB 0.243 31.969 31.700 0.043 0.000 0.820 298 G N 0.911 109.683 108.800 -0.046 0.000 2.761 298 G HA2 0.524 4.486 3.960 0.003 0.000 0.296 298 G HA3 0.524 4.486 3.960 0.003 0.000 0.296 298 G C -0.014 174.163 174.900 -1.206 0.000 1.416 298 G CA 0.138 44.855 45.100 -0.638 0.000 1.105 298 G HN 0.786 nan 8.290 nan 0.000 0.565 299 G N 1.197 108.715 108.800 -2.137 0.000 2.611 299 G HA2 0.074 4.036 3.960 0.003 0.000 0.301 299 G HA3 0.074 4.036 3.960 0.003 0.000 0.301 299 G C 1.680 176.203 174.900 -0.627 0.000 1.233 299 G CA 1.730 45.779 45.100 -1.752 0.000 0.993 299 G HN 2.120 nan 8.290 nan 0.000 0.553 300 A N -0.856 121.766 122.820 -0.330 0.000 2.119 300 A HA 0.450 4.772 4.320 0.003 0.000 0.217 300 A C 1.360 179.128 177.584 0.306 0.000 1.153 300 A CA 1.942 54.000 52.037 0.036 0.000 0.692 300 A CB -0.154 18.823 19.000 -0.037 0.000 0.799 300 A HN 1.456 nan 8.150 nan 0.000 0.458 301 V N 1.805 121.821 119.914 0.171 0.000 2.353 301 V HA 0.121 4.243 4.120 0.003 0.000 0.264 301 V C 0.488 176.679 176.094 0.161 0.000 1.049 301 V CA -0.323 62.156 62.300 0.299 0.000 0.896 301 V CB 0.993 32.966 31.823 0.249 0.000 1.025 301 V HN 0.270 nan 8.190 nan 0.000 0.475 302 K N 3.920 124.415 120.400 0.158 0.000 2.437 302 K HA 0.294 4.616 4.320 0.003 0.000 0.198 302 K C -0.417 175.941 176.600 -0.405 0.000 1.024 302 K CA 0.331 56.526 56.287 -0.154 0.000 1.148 302 K CB -0.031 32.296 32.500 -0.289 0.000 0.860 302 K HN 0.494 nan 8.250 nan 0.000 0.515 303 F N 0.176 120.195 119.950 0.114 0.000 2.620 303 F HA 0.301 4.830 4.527 0.003 0.000 0.320 303 F C 0.791 176.683 175.800 0.153 0.000 1.069 303 F CA -1.146 56.925 58.000 0.117 0.000 0.953 303 F CB 0.858 39.923 39.000 0.109 0.000 1.322 303 F HN -0.204 nan 8.300 nan 0.000 0.479 304 N N 0.711 119.629 118.700 0.362 0.000 2.479 304 N HA 0.220 4.962 4.740 0.003 0.000 0.257 304 N C -0.346 175.325 175.510 0.269 0.000 1.232 304 N CA 0.573 53.829 53.050 0.344 0.000 0.920 304 N CB 1.364 40.044 38.487 0.323 0.000 1.105 304 N HN 0.622 nan 8.380 nan 0.000 0.444 305 T N -0.236 114.474 114.554 0.261 0.000 2.754 305 T HA 0.533 4.885 4.350 0.003 0.000 0.296 305 T C -1.564 173.214 174.700 0.130 0.000 1.205 305 T CA -0.513 61.676 62.100 0.148 0.000 1.009 305 T CB 1.112 70.060 68.868 0.133 0.000 1.368 305 T HN 0.047 nan 8.240 nan 0.000 0.509 306 V N 2.481 122.424 119.914 0.049 0.000 2.686 306 V HA 0.632 4.754 4.120 0.003 0.000 0.306 306 V C 0.380 176.480 176.094 0.010 0.000 1.065 306 V CA -0.734 61.582 62.300 0.026 0.000 0.894 306 V CB 1.702 33.510 31.823 -0.025 0.000 1.004 306 V HN 1.143 nan 8.190 nan 0.000 0.424 307 T N 2.036 116.592 114.554 0.003 0.000 2.936 307 T HA 0.504 4.856 4.350 0.003 0.000 0.282 307 T C -2.056 172.627 174.700 -0.030 0.000 1.003 307 T CA -2.113 60.019 62.100 0.053 0.000 1.005 307 T CB 2.154 71.070 68.868 0.081 0.000 1.097 307 T HN 0.366 nan 8.240 nan 0.000 0.532 308 P HA 0.087 nan 4.420 nan 0.000 0.218 308 P C 0.168 177.375 177.300 -0.154 0.000 1.149 308 P CA 0.788 63.674 63.100 -0.357 0.000 0.817 308 P CB 0.218 31.396 31.700 -0.871 0.000 0.785 309 S N -2.390 113.342 115.700 0.054 0.000 2.582 309 S HA 0.131 4.603 4.470 0.003 0.000 0.296 309 S C 0.249 174.867 174.600 0.030 0.000 1.118 309 S CA -0.644 57.606 58.200 0.083 0.000 0.947 309 S CB 0.659 63.981 63.200 0.204 0.000 1.131 309 S HN -0.193 nan 8.310 nan 0.000 0.453 310 V N 4.895 124.740 119.914 -0.116 0.000 2.759 310 V HA -0.009 4.113 4.120 0.003 0.000 0.256 310 V C 2.005 177.988 176.094 -0.185 0.000 1.080 310 V CA 2.771 64.892 62.300 -0.297 0.000 1.101 310 V CB -0.455 30.960 31.823 -0.679 0.000 0.698 310 V HN 1.054 nan 8.190 nan 0.000 0.477 311 T N -2.606 111.917 114.554 -0.051 0.000 3.069 311 T HA 0.317 4.669 4.350 0.003 0.000 0.252 311 T C 0.970 175.678 174.700 0.013 0.000 1.053 311 T CA 0.355 62.461 62.100 0.011 0.000 0.964 311 T CB 0.003 68.922 68.868 0.084 0.000 1.005 311 T HN 0.550 nan 8.240 nan 0.000 0.532 312 G N 1.341 110.155 108.800 0.023 0.000 2.491 312 G HA2 0.344 4.306 3.960 0.003 0.000 0.242 312 G HA3 0.344 4.306 3.960 0.003 0.000 0.242 312 G C 0.776 175.638 174.900 -0.062 0.000 1.266 312 G CA -0.696 44.416 45.100 0.020 0.000 0.844 312 G HN 0.225 nan 8.290 nan 0.000 0.571 313 R N 0.789 121.203 120.500 -0.144 0.000 2.096 313 R HA -0.053 4.289 4.340 0.003 0.000 0.235 313 R C 1.123 176.973 176.300 -0.750 0.000 1.127 313 R CA 1.677 57.367 56.100 -0.683 0.000 0.968 313 R CB -0.212 29.423 30.300 -1.108 0.000 0.861 313 R HN 0.742 nan 8.270 nan 0.000 0.440 314 W N -2.167 119.005 121.300 -0.214 0.000 2.684 314 W HA 0.305 4.967 4.660 0.004 0.000 0.381 314 W C -0.084 176.523 176.519 0.147 0.000 0.975 314 W CA -0.742 56.576 57.345 -0.046 0.000 1.789 314 W CB 0.580 29.972 29.460 -0.114 0.000 1.161 314 W HN -0.104 nan 8.180 nan 0.000 0.564 315 F N -0.694 119.435 119.950 0.298 0.000 2.661 315 F HA 0.329 4.858 4.527 0.003 0.000 0.306 315 F C 1.410 177.296 175.800 0.143 0.000 1.094 315 F CA -0.796 57.362 58.000 0.263 0.000 1.254 315 F CB -0.580 38.484 39.000 0.107 0.000 1.040 315 F HN -0.326 nan 8.300 nan 0.000 0.562 316 S N -0.749 115.063 115.700 0.187 0.000 2.552 316 S HA 0.651 5.123 4.470 0.003 0.000 0.271 316 S C 1.130 175.700 174.600 -0.051 0.000 1.168 316 S CA 0.357 58.561 58.200 0.007 0.000 1.026 316 S CB 0.308 63.478 63.200 -0.050 0.000 1.120 316 S HN 0.605 nan 8.310 nan 0.000 0.514 317 G N 1.890 110.611 108.800 -0.130 0.000 2.574 317 G HA2 -0.296 3.666 3.960 0.003 0.000 0.286 317 G HA3 -0.296 3.666 3.960 0.003 0.000 0.286 317 G C -0.033 174.779 174.900 -0.147 0.000 1.212 317 G CA 0.579 45.643 45.100 -0.059 0.000 0.979 317 G HN 1.204 nan 8.290 nan 0.000 0.557 318 N N 0.693 119.465 118.700 0.120 0.000 2.338 318 N HA 0.146 4.888 4.740 0.003 0.000 0.251 318 N C 0.326 175.890 175.510 0.089 0.000 1.199 318 N CA 0.188 53.304 53.050 0.112 0.000 0.879 318 N CB 0.257 38.974 38.487 0.382 0.000 1.159 318 N HN 0.818 nan 8.380 nan 0.000 0.514 319 Q N 0.625 120.455 119.800 0.051 0.000 2.274 319 Q HA 0.152 4.494 4.340 0.003 0.000 0.280 319 Q C -0.534 175.422 176.000 -0.073 0.000 1.047 319 Q CA 0.725 56.474 55.803 -0.090 0.000 0.907 319 Q CB 0.463 29.185 28.738 -0.028 0.000 1.171 319 Q HN 0.207 nan 8.270 nan 0.000 0.381 320 T N 2.827 117.196 114.554 -0.308 0.000 2.861 320 T HA 0.467 4.819 4.350 0.003 0.000 0.287 320 T C -0.908 173.605 174.700 -0.312 0.000 1.003 320 T CA -0.763 61.255 62.100 -0.136 0.000 0.977 320 T CB 1.056 69.850 68.868 -0.123 0.000 0.996 320 T HN 0.422 nan 8.240 nan 0.000 0.448 321 W N 2.068 123.258 121.300 -0.184 0.000 2.689 321 W HA 0.290 4.952 4.660 0.004 0.000 0.340 321 W C -2.178 174.144 176.519 -0.329 0.000 1.060 321 W CA -2.357 54.872 57.345 -0.194 0.000 1.218 321 W CB 1.908 31.329 29.460 -0.064 0.000 1.410 321 W HN 0.480 nan 8.180 nan 0.000 0.528 322 P HA -0.185 nan 4.420 nan 0.000 0.215 322 P C 1.805 178.569 177.300 -0.893 0.000 1.157 322 P CA 1.836 64.515 63.100 -0.702 0.000 0.863 322 P CB 0.223 31.723 31.700 -0.334 0.000 0.787 323 W N 1.263 122.321 121.300 -0.404 0.000 2.317 323 W HA -0.256 4.406 4.660 0.004 0.000 0.318 323 W C 1.214 177.606 176.519 -0.210 0.000 1.227 323 W CA 1.714 58.934 57.345 -0.209 0.000 1.269 323 W CB -0.453 28.992 29.460 -0.025 0.000 1.155 323 W HN -0.037 nan 8.180 nan 0.000 0.484 324 D N -0.492 119.885 120.400 -0.037 0.000 2.117 324 D HA -0.188 4.454 4.640 0.003 0.000 0.197 324 D C 2.119 178.323 176.300 -0.160 0.000 0.987 324 D CA 2.373 56.329 54.000 -0.073 0.000 0.829 324 D CB -0.834 39.981 40.800 0.026 0.000 0.961 324 D HN 0.000 nan 8.370 nan 0.000 0.460 325 T N -0.216 114.176 114.554 -0.270 0.000 2.720 325 T HA -0.187 4.165 4.350 0.003 0.000 0.268 325 T C 1.609 176.286 174.700 -0.037 0.000 1.037 325 T CA 1.204 63.148 62.100 -0.260 0.000 1.144 325 T CB -0.538 68.044 68.868 -0.476 0.000 0.864 325 T HN 0.385 nan 8.240 nan 0.000 0.444 326 W N 2.317 123.692 121.300 0.125 0.000 2.335 326 W HA -0.151 4.511 4.660 0.003 0.000 0.311 326 W C 2.521 179.185 176.519 0.242 0.000 1.213 326 W CA 0.717 58.204 57.345 0.236 0.000 1.274 326 W CB -0.211 29.453 29.460 0.339 0.000 1.148 326 W HN 0.299 nan 8.180 nan 0.000 0.498 327 K N 0.747 121.319 120.400 0.286 0.000 2.103 327 K HA -0.095 4.227 4.320 0.003 0.000 0.204 327 K C 1.765 178.366 176.600 0.001 0.000 1.052 327 K CA 1.287 57.646 56.287 0.121 0.000 0.945 327 K CB -0.804 31.617 32.500 -0.132 0.000 0.722 327 K HN 0.285 nan 8.250 nan 0.000 0.443 328 Q N 1.015 120.805 119.800 -0.017 0.000 2.050 328 Q HA -0.093 4.249 4.340 0.003 0.000 0.202 328 Q C 2.370 178.325 176.000 -0.075 0.000 0.980 328 Q CA 1.770 57.538 55.803 -0.059 0.000 0.840 328 Q CB -0.308 28.384 28.738 -0.077 0.000 0.898 328 Q HN 0.517 nan 8.270 nan 0.000 0.424 329 A N 0.248 123.057 122.820 -0.019 0.000 1.969 329 A HA -0.162 4.160 4.320 0.003 0.000 0.218 329 A C 1.852 179.372 177.584 -0.107 0.000 1.169 329 A CA 0.834 52.827 52.037 -0.073 0.000 0.635 329 A CB -0.721 18.310 19.000 0.051 0.000 0.810 329 A HN 0.442 nan 8.150 nan 0.000 0.445 330 F N 0.998 120.833 119.950 -0.191 0.000 2.095 330 F HA 0.084 4.612 4.527 0.003 0.000 0.298 330 F C 1.733 177.436 175.800 -0.161 0.000 1.104 330 F CA 0.560 58.376 58.000 -0.306 0.000 1.232 330 F CB -0.334 38.328 39.000 -0.563 0.000 0.987 330 F HN 0.292 nan 8.300 nan 0.000 0.475 334 H N -0.817 118.048 119.070 -0.342 0.000 2.547 334 H HA 0.300 4.858 4.556 0.003 0.000 0.266 334 H C 1.037 176.367 175.328 0.004 0.000 0.988 334 H CA 1.817 57.806 56.048 -0.099 0.000 1.147 334 H CB -0.041 29.830 29.762 0.182 0.000 1.365 334 H HN 0.770 nan 8.280 nan 0.000 0.589 335 F N -4.290 115.557 119.950 -0.172 0.000 2.801 335 F HA 0.317 4.847 4.527 0.004 0.000 0.381 335 F C 0.020 175.747 175.800 -0.122 0.000 0.861 335 F CA -0.619 57.300 58.000 -0.135 0.000 1.039 335 F CB 0.603 39.482 39.000 -0.201 0.000 1.041 335 F HN -0.171 nan 8.300 nan 0.000 0.596 336 N N 2.727 120.993 118.700 -0.724 0.000 2.703 336 N HA 0.328 5.070 4.740 0.003 0.000 0.283 336 N C -2.035 173.126 175.510 -0.583 0.000 1.851 336 N CA -2.177 50.553 53.050 -0.534 0.000 0.826 336 N CB 0.713 38.745 38.487 -0.758 0.000 1.239 336 N HN 0.014 nan 8.380 nan 0.000 0.495 337 P HA -0.104 nan 4.420 nan 0.000 0.218 337 P C 0.469 177.498 177.300 -0.452 0.000 1.148 337 P CA 1.079 63.893 63.100 -0.476 0.000 0.822 337 P CB 0.618 32.069 31.700 -0.415 0.000 0.784 338 D N -0.028 120.150 120.400 -0.369 0.000 2.123 338 D HA -0.127 4.515 4.640 0.003 0.000 0.196 338 D C 1.988 178.072 176.300 -0.360 0.000 0.992 338 D CA 0.957 54.769 54.000 -0.314 0.000 0.833 338 D CB -0.469 40.194 40.800 -0.228 0.000 0.954 338 D HN 0.148 nan 8.370 nan 0.000 0.455 339 I N 0.732 121.003 120.570 -0.498 0.000 2.617 339 I HA -0.039 4.133 4.170 0.003 0.000 0.256 339 I C 2.353 178.212 176.117 -0.431 0.000 1.167 339 I CA 0.318 61.275 61.300 -0.572 0.000 1.469 339 I CB -1.291 36.101 38.000 -1.012 0.000 1.098 339 I HN -0.134 nan 8.210 nan 0.000 0.436 340 A N 1.227 123.773 122.820 -0.457 0.000 1.902 340 A HA -0.206 4.116 4.320 0.003 0.000 0.217 340 A C 2.381 179.792 177.584 -0.287 0.000 1.181 340 A CA 1.479 53.294 52.037 -0.370 0.000 0.623 340 A CB -0.431 18.302 19.000 -0.444 0.000 0.818 340 A HN 0.318 nan 8.150 nan 0.000 0.443 341 K N -0.513 119.635 120.400 -0.420 0.000 2.026 341 K HA -0.129 4.193 4.320 0.003 0.000 0.208 341 K C 2.012 178.569 176.600 -0.072 0.000 1.048 341 K CA 1.343 57.363 56.287 -0.445 0.000 0.929 341 K CB -0.161 31.920 32.500 -0.698 0.000 0.713 341 K HN 0.419 nan 8.250 nan 0.000 0.439 342 E N 0.934 121.080 120.200 -0.089 0.000 2.085 342 E HA -0.203 4.149 4.350 0.003 0.000 0.194 342 E C 1.829 178.446 176.600 0.028 0.000 0.994 342 E CA 0.979 57.396 56.400 0.027 0.000 0.801 342 E CB -0.339 29.391 29.700 0.050 0.000 0.743 342 E HN 0.239 nan 8.360 nan 0.000 0.453 343 N N 1.058 119.746 118.700 -0.020 0.000 2.104 343 N HA -0.146 4.596 4.740 0.003 0.000 0.190 343 N C 1.718 177.252 175.510 0.041 0.000 1.024 343 N CA 0.871 53.919 53.050 -0.004 0.000 0.853 343 N CB -0.156 38.296 38.487 -0.057 0.000 1.008 343 N HN 0.059 nan 8.380 nan 0.000 0.424 344 I N 0.948 121.602 120.570 0.141 0.000 2.252 344 I HA -0.160 4.012 4.170 0.003 0.000 0.245 344 I C 2.229 178.504 176.117 0.262 0.000 1.102 344 I CA 0.990 62.492 61.300 0.336 0.000 1.385 344 I CB -1.019 37.318 38.000 0.561 0.000 1.064 344 I HN 0.230 nan 8.210 nan 0.000 0.414 345 R N 0.641 121.188 120.500 0.078 0.000 2.105 345 R HA -0.131 4.211 4.340 0.003 0.000 0.239 345 R C 2.372 178.410 176.300 -0.436 0.000 1.135 345 R CA 1.483 57.415 56.100 -0.279 0.000 0.967 345 R CB -0.378 29.528 30.300 -0.658 0.000 0.861 345 R HN 0.371 nan 8.270 nan 0.000 0.442 346 A N 0.662 123.359 122.820 -0.205 0.000 1.877 346 A HA -0.136 4.186 4.320 0.003 0.000 0.216 346 A C 2.356 179.954 177.584 0.023 0.000 1.186 346 A CA 1.530 53.581 52.037 0.024 0.000 0.620 346 A CB -0.641 18.439 19.000 0.133 0.000 0.822 346 A HN 0.120 nan 8.150 nan 0.000 0.443 347 V N -1.447 118.420 119.914 -0.079 0.000 2.295 347 V HA -0.238 3.884 4.120 0.003 0.000 0.246 347 V C 2.268 178.208 176.094 -0.257 0.000 1.049 347 V CA 2.081 64.240 62.300 -0.234 0.000 1.024 347 V CB -0.904 30.663 31.823 -0.427 0.000 0.648 347 V HN 0.557 nan 8.190 nan 0.000 0.447 348 F N 0.986 120.893 119.950 -0.070 0.000 2.558 348 F HA -0.071 4.457 4.527 0.003 0.000 0.298 348 F C 2.637 178.373 175.800 -0.106 0.000 1.119 348 F CA 1.047 58.988 58.000 -0.100 0.000 1.451 348 F CB -0.638 38.299 39.000 -0.105 0.000 1.091 348 F HN 0.255 nan 8.300 nan 0.000 0.563 349 S N -1.547 114.174 115.700 0.034 0.000 2.442 349 S HA -0.241 4.231 4.470 0.003 0.000 0.236 349 S C 1.275 175.762 174.600 -0.188 0.000 1.007 349 S CA 0.840 59.017 58.200 -0.039 0.000 0.965 349 S CB -0.784 62.480 63.200 0.107 0.000 0.773 349 S HN 0.518 nan 8.310 nan 0.000 0.504 350 W N 2.093 123.428 121.300 0.059 0.000 3.067 350 W HA 0.460 5.122 4.660 0.002 0.000 0.417 350 W C 0.616 177.145 176.519 0.016 0.000 1.029 350 W CA -0.937 56.462 57.345 0.091 0.000 1.992 350 W CB 0.058 29.617 29.460 0.165 0.000 1.122 350 W HN 0.315 nan 8.180 nan 0.000 0.681 351 Q N 1.449 121.305 119.800 0.094 0.000 2.330 351 Q HA 0.046 4.388 4.340 0.003 0.000 0.279 351 Q C 0.495 176.552 176.000 0.095 0.000 1.024 351 Q CA -0.094 55.725 55.803 0.026 0.000 0.900 351 Q CB 0.643 29.435 28.738 0.089 0.000 1.221 351 Q HN -0.090 nan 8.270 nan 0.000 0.396 352 I N 4.354 124.994 120.570 0.117 0.000 2.668 352 I HA -0.058 4.114 4.170 0.003 0.000 0.285 352 I C 0.423 176.608 176.117 0.113 0.000 1.168 352 I CA 0.640 62.033 61.300 0.155 0.000 1.424 352 I CB 0.228 38.342 38.000 0.191 0.000 1.377 352 I HN 0.703 nan 8.210 nan 0.000 0.560 353 Q N 7.180 127.036 119.800 0.095 0.000 2.248 353 Q HA 0.491 4.833 4.340 0.003 0.000 0.263 353 Q C -2.249 173.793 176.000 0.071 0.000 1.007 353 Q CA -2.079 53.766 55.803 0.069 0.000 0.877 353 Q CB 0.849 29.609 28.738 0.037 0.000 1.315 353 Q HN 0.306 nan 8.270 nan 0.000 0.454 354 P HA 0.031 nan 4.420 nan 0.000 0.264 354 P C 0.422 177.750 177.300 0.047 0.000 1.183 354 P CA 1.132 64.266 63.100 0.057 0.000 0.763 354 P CB 0.249 31.977 31.700 0.047 0.000 0.807 355 G N 1.931 110.760 108.800 0.048 0.000 2.143 355 G HA2 -0.259 3.703 3.960 0.003 0.000 0.249 355 G HA3 -0.259 3.703 3.960 0.003 0.000 0.249 355 G C 0.131 175.058 174.900 0.046 0.000 0.981 355 G CA 0.020 45.144 45.100 0.040 0.000 0.665 355 G HN 0.656 nan 8.290 nan 0.000 0.528 356 D N 0.362 120.798 120.400 0.061 0.000 2.506 356 D HA 0.352 4.994 4.640 0.003 0.000 0.234 356 D C 1.910 178.247 176.300 0.061 0.000 1.143 356 D CA 1.091 55.136 54.000 0.074 0.000 0.871 356 D CB 0.627 41.487 40.800 0.100 0.000 1.190 356 D HN 0.435 nan 8.370 nan 0.000 0.459 357 S N 1.571 117.308 115.700 0.061 0.000 2.481 357 S HA -0.070 4.402 4.470 0.003 0.000 0.231 357 S C 1.397 176.023 174.600 0.042 0.000 0.996 357 S CA 0.629 58.856 58.200 0.045 0.000 0.942 357 S CB 0.163 63.386 63.200 0.039 0.000 0.768 357 S HN 0.352 nan 8.310 nan 0.000 0.520 358 V N 1.427 121.374 119.914 0.056 0.000 2.806 358 V HA 0.272 4.395 4.120 0.003 0.000 0.239 358 V C 1.163 177.283 176.094 0.042 0.000 1.113 358 V CA 0.731 63.059 62.300 0.047 0.000 1.137 358 V CB -0.232 31.626 31.823 0.058 0.000 0.865 358 V HN 0.642 nan 8.190 nan 0.000 0.482 359 R N 1.008 121.540 120.500 0.053 0.000 2.653 359 R HA 0.313 4.655 4.340 0.003 0.000 0.269 359 R C -2.415 173.917 176.300 0.053 0.000 1.603 359 R CA -1.302 54.819 56.100 0.035 0.000 1.671 359 R CB 0.470 30.768 30.300 -0.003 0.000 1.300 359 R HN 0.217 nan 8.270 nan 0.000 0.668 360 P HA -0.229 nan 4.420 nan 0.000 0.225 360 P C 0.703 178.044 177.300 0.068 0.000 1.148 360 P CA 1.101 64.237 63.100 0.061 0.000 0.779 360 P CB 0.388 32.115 31.700 0.046 0.000 0.780 361 Q N -0.634 119.201 119.800 0.057 0.000 2.403 361 Q HA -0.006 4.336 4.340 0.003 0.000 0.203 361 Q C 0.074 176.147 176.000 0.121 0.000 0.932 361 Q CA 0.854 56.695 55.803 0.062 0.000 0.945 361 Q CB -0.478 28.275 28.738 0.025 0.000 1.045 361 Q HN 0.191 nan 8.270 nan 0.000 0.511 362 D N 1.222 121.710 120.400 0.148 0.000 2.772 362 D HA 0.180 4.822 4.640 0.003 0.000 0.272 362 D C -0.521 175.944 176.300 0.275 0.000 1.314 362 D CA -0.266 53.893 54.000 0.265 0.000 0.835 362 D CB 1.001 41.814 40.800 0.022 0.000 1.080 362 D HN -0.025 nan 8.370 nan 0.000 0.482 363 V N 0.420 120.489 119.914 0.259 0.000 2.557 363 V HA 0.245 4.367 4.120 0.003 0.000 0.301 363 V C 1.716 177.977 176.094 0.278 0.000 1.026 363 V CA 1.398 63.827 62.300 0.216 0.000 1.137 363 V CB 0.786 32.711 31.823 0.170 0.000 0.917 363 V HN 0.607 nan 8.190 nan 0.000 0.484 364 G N 4.573 113.484 108.800 0.184 0.000 2.234 364 G HA2 -0.273 3.689 3.960 0.003 0.000 0.235 364 G HA3 -0.273 3.689 3.960 0.003 0.000 0.235 364 G C 0.093 175.002 174.900 0.016 0.000 0.997 364 G CA 0.112 45.334 45.100 0.204 0.000 0.623 364 G HN 0.846 nan 8.290 nan 0.000 0.514 365 F N 2.219 121.866 119.950 -0.507 0.000 2.572 365 F HA 0.501 5.030 4.527 0.005 0.000 0.370 365 F C 0.416 175.884 175.800 -0.553 0.000 1.103 365 F CA -0.148 57.254 58.000 -0.997 0.000 1.286 365 F CB 1.015 39.411 39.000 -1.006 0.000 1.105 365 F HN 0.078 nan 8.300 nan 0.000 0.583 366 V N 8.156 127.199 119.914 -1.451 0.000 2.357 366 V HA 0.298 4.420 4.120 0.003 0.000 0.284 366 V C -2.124 173.110 176.094 -1.434 0.000 1.018 366 V CA -2.034 59.547 62.300 -1.198 0.000 0.841 366 V CB 1.194 32.295 31.823 -1.204 0.000 0.991 366 V HN 0.680 nan 8.190 nan 0.000 0.437 367 P HA -0.005 nan 4.420 nan 0.000 0.265 367 P C 0.572 177.571 177.300 -0.502 0.000 1.187 367 P CA 0.286 63.013 63.100 -0.621 0.000 0.766 367 P CB 0.715 32.169 31.700 -0.410 0.000 0.820 368 D N 3.244 123.482 120.400 -0.271 0.000 2.144 368 D HA -0.083 4.559 4.640 0.003 0.000 0.199 368 D C 0.069 176.111 176.300 -0.429 0.000 0.984 368 D CA 1.227 55.138 54.000 -0.148 0.000 0.834 368 D CB 0.055 40.906 40.800 0.086 0.000 0.955 368 D HN 0.181 nan 8.370 nan 0.000 0.465 369 L N 0.473 121.315 121.223 -0.635 0.000 2.516 369 L HA 0.363 4.705 4.340 0.003 0.000 0.267 369 L C -1.533 174.665 176.870 -1.121 0.000 0.957 369 L CA -1.026 53.218 54.840 -0.994 0.000 0.860 369 L CB 1.421 42.889 42.059 -0.985 0.000 1.265 369 L HN 0.022 nan 8.230 nan 0.000 0.403 370 I N 3.029 122.945 120.570 -1.090 0.000 2.693 370 I HA 1.048 5.220 4.170 0.003 0.000 0.303 370 I C -0.295 175.442 176.117 -0.632 0.000 1.025 370 I CA -0.307 60.172 61.300 -1.367 0.000 1.086 370 I CB 1.875 39.202 38.000 -1.122 0.000 1.268 370 I HN 0.592 nan 8.210 nan 0.000 0.440 371 A N 3.320 126.001 122.820 -0.232 0.000 2.536 371 A HA 0.325 4.647 4.320 0.003 0.000 0.293 371 A C -0.096 177.669 177.584 0.300 0.000 1.119 371 A CA -0.549 51.537 52.037 0.082 0.000 0.654 371 A CB -0.158 18.876 19.000 0.057 0.000 1.291 371 A HN 0.995 nan 8.150 nan 0.000 0.439 372 W N 1.263 122.644 121.300 0.134 0.000 2.304 372 W HA -0.121 4.541 4.660 0.003 0.000 0.315 372 W C -0.322 176.229 176.519 0.054 0.000 1.233 372 W CA 2.225 59.631 57.345 0.102 0.000 1.261 372 W CB -0.173 29.326 29.460 0.065 0.000 1.150 372 W HN 0.618 nan 8.180 nan 0.000 0.494 373 N N 1.353 120.285 118.700 0.386 0.000 2.425 373 N HA 0.213 4.955 4.740 0.003 0.000 0.268 373 N C -0.348 175.172 175.510 0.017 0.000 0.991 373 N CA -0.231 52.933 53.050 0.189 0.000 0.931 373 N CB 1.510 40.096 38.487 0.166 0.000 1.130 373 N HN -0.098 nan 8.380 nan 0.000 0.493 374 L N 1.146 122.195 121.223 -0.291 0.000 2.473 374 L HA 0.070 4.412 4.340 0.003 0.000 0.268 374 L C 1.428 178.017 176.870 -0.468 0.000 1.215 374 L CA -0.212 54.150 54.840 -0.797 0.000 0.823 374 L CB 0.302 41.852 42.059 -0.849 0.000 1.099 374 L HN 0.566 nan 8.230 nan 0.000 0.483 375 S N 0.965 116.304 115.700 -0.603 0.000 2.589 375 S HA 0.160 4.632 4.470 0.003 0.000 0.265 375 S C -1.943 172.537 174.600 -0.200 0.000 1.342 375 S CA -1.052 57.011 58.200 -0.227 0.000 1.005 375 S CB 0.687 63.812 63.200 -0.126 0.000 0.909 375 S HN 0.413 nan 8.310 nan 0.000 0.555 376 P HA -0.032 nan 4.420 nan 0.000 0.218 376 P C 0.915 178.168 177.300 -0.079 0.000 1.149 376 P CA 0.988 64.042 63.100 -0.077 0.000 0.817 376 P CB -0.017 31.661 31.700 -0.036 0.000 0.785 377 E N -0.781 119.374 120.200 -0.074 0.000 2.265 377 E HA -0.106 4.246 4.350 0.003 0.000 0.196 377 E C 1.344 177.892 176.600 -0.087 0.000 0.996 377 E CA 0.913 57.279 56.400 -0.057 0.000 0.832 377 E CB -0.442 29.242 29.700 -0.027 0.000 0.756 377 E HN 0.247 nan 8.360 nan 0.000 0.491 378 R N -1.127 119.270 120.500 -0.171 0.000 2.546 378 R HA 0.275 4.617 4.340 0.003 0.000 0.320 378 R C 0.503 176.698 176.300 -0.175 0.000 1.021 378 R CA 0.467 56.451 56.100 -0.194 0.000 1.088 378 R CB 0.858 30.937 30.300 -0.367 0.000 1.278 378 R HN 0.224 nan 8.270 nan 0.000 0.557 379 G N -0.017 108.703 108.800 -0.132 0.000 2.175 379 G HA2 -0.233 3.729 3.960 0.003 0.000 0.244 379 G HA3 -0.233 3.729 3.960 0.003 0.000 0.244 379 G C 0.323 175.159 174.900 -0.106 0.000 0.982 379 G CA -0.183 44.858 45.100 -0.098 0.000 0.641 379 G HN 0.541 nan 8.290 nan 0.000 0.527 380 G N -0.315 108.394 108.800 -0.151 0.000 2.753 380 G HA2 0.594 4.556 3.960 0.003 0.000 0.285 380 G HA3 0.594 4.556 3.960 0.003 0.000 0.285 380 G C 0.195 175.042 174.900 -0.088 0.000 1.344 380 G CA 0.557 45.584 45.100 -0.121 0.000 1.050 380 G HN 0.578 nan 8.290 nan 0.000 0.532 381 D N -1.491 118.872 120.400 -0.062 0.000 2.571 381 D HA 0.223 4.865 4.640 0.003 0.000 0.239 381 D C 0.878 177.137 176.300 -0.069 0.000 1.267 381 D CA -0.279 53.685 54.000 -0.060 0.000 0.823 381 D CB 0.099 40.870 40.800 -0.049 0.000 1.056 381 D HN 0.550 nan 8.370 nan 0.000 0.494 382 G N -0.487 108.284 108.800 -0.049 0.000 2.390 382 G HA2 0.443 4.405 3.960 0.003 0.000 0.270 382 G HA3 0.443 4.405 3.960 0.003 0.000 0.270 382 G C 0.875 175.763 174.900 -0.021 0.000 1.211 382 G CA -0.418 44.672 45.100 -0.016 0.000 0.842 382 G HN 0.185 nan 8.290 nan 0.000 0.519 383 G N 0.730 109.473 108.800 -0.095 0.000 3.020 383 G HA2 -0.035 3.927 3.960 0.003 0.000 0.217 383 G HA3 -0.035 3.927 3.960 0.003 0.000 0.217 383 G C 1.123 176.186 174.900 0.272 0.000 1.144 383 G CA -0.004 45.057 45.100 -0.064 0.000 0.760 383 G HN 0.620 nan 8.290 nan 0.000 0.548 384 N N -0.833 118.016 118.700 0.249 0.000 2.305 384 N HA 0.022 4.764 4.740 0.003 0.000 0.179 384 N C 0.572 176.156 175.510 0.123 0.000 1.019 384 N CA -0.513 52.687 53.050 0.249 0.000 0.869 384 N CB 0.098 38.704 38.487 0.197 0.000 1.000 384 N HN 0.265 nan 8.380 nan 0.000 0.431 385 W N 3.298 124.562 121.300 -0.061 0.000 2.513 385 W HA -0.079 4.583 4.660 0.003 0.000 0.339 385 W C -0.306 176.173 176.519 -0.066 0.000 1.257 385 W CA 0.787 58.054 57.345 -0.130 0.000 1.280 385 W CB -0.400 28.965 29.460 -0.159 0.000 1.214 385 W HN 0.083 nan 8.180 nan 0.000 0.567 386 N N 3.998 122.590 118.700 -0.179 0.000 2.295 386 N HA 0.197 4.939 4.740 0.003 0.000 0.293 386 N C -0.615 174.927 175.510 0.054 0.000 1.040 386 N CA -0.311 52.757 53.050 0.029 0.000 0.840 386 N CB 1.369 39.877 38.487 0.036 0.000 1.468 386 N HN 0.415 nan 8.380 nan 0.000 0.478 387 E N 1.693 122.026 120.200 0.222 0.000 2.812 387 E HA 0.200 4.552 4.350 0.003 0.000 0.211 387 E C 0.512 177.269 176.600 0.262 0.000 0.986 387 E CA 0.011 56.615 56.400 0.339 0.000 1.119 387 E CB 0.628 30.541 29.700 0.354 0.000 1.046 387 E HN 0.482 nan 8.360 nan 0.000 0.474 388 R N 1.488 122.148 120.500 0.267 0.000 2.276 388 R HA 0.022 4.364 4.340 0.003 0.000 0.203 388 R C 0.736 177.293 176.300 0.428 0.000 1.017 388 R CA 0.811 57.070 56.100 0.266 0.000 1.010 388 R CB -0.071 30.416 30.300 0.311 0.000 0.900 388 R HN 0.253 nan 8.270 nan 0.000 0.469 389 N N -2.155 116.837 118.700 0.486 0.000 3.261 389 N HA 0.037 4.779 4.740 0.003 0.000 0.248 389 N C -0.966 174.868 175.510 0.540 0.000 1.498 389 N CA -0.552 52.817 53.050 0.533 0.000 0.884 389 N CB 1.517 40.276 38.487 0.453 0.000 1.428 389 N HN -0.204 nan 8.380 nan 0.000 0.517 390 T N -1.021 113.799 114.554 0.443 0.000 2.602 390 T HA 0.563 4.915 4.350 0.003 0.000 0.235 390 T C -1.175 173.695 174.700 0.283 0.000 0.882 390 T CA -0.164 62.039 62.100 0.173 0.000 1.123 390 T CB 0.768 69.613 68.868 -0.039 0.000 1.662 390 T HN 0.452 nan 8.240 nan 0.000 0.536 391 K N 0.621 121.234 120.400 0.356 0.000 2.495 391 K HA 0.527 4.849 4.320 0.003 0.000 0.268 391 K C -2.854 173.974 176.600 0.380 0.000 1.008 391 K CA -2.131 54.319 56.287 0.270 0.000 0.882 391 K CB 1.282 33.921 32.500 0.232 0.000 1.443 391 K HN 0.310 nan 8.250 nan 0.000 0.447 392 P HA 0.009 nan 4.420 nan 0.000 0.266 392 P C -0.597 176.793 177.300 0.150 0.000 1.195 392 P CA 0.195 63.195 63.100 -0.167 0.000 0.768 392 P CB 0.496 31.562 31.700 -1.056 0.000 0.838 393 S N 2.780 118.518 115.700 0.064 0.000 2.410 393 S HA 0.353 4.825 4.470 0.003 0.000 0.304 393 S C 0.189 174.775 174.600 -0.023 0.000 1.095 393 S CA -0.486 57.825 58.200 0.186 0.000 1.089 393 S CB -0.818 62.435 63.200 0.089 0.000 0.968 393 S HN 0.353 nan 8.310 nan 0.000 0.480 394 L N 4.445 125.614 121.223 -0.090 0.000 3.289 394 L HA 0.343 4.685 4.340 0.003 0.000 0.291 394 L C 1.733 178.403 176.870 -0.332 0.000 1.279 394 L CA -0.134 54.683 54.840 -0.038 0.000 1.025 394 L CB -0.045 42.092 42.059 0.130 0.000 1.413 394 L HN 0.780 nan 8.230 nan 0.000 0.593 395 A N 0.506 122.775 122.820 -0.918 0.000 1.877 395 A HA -0.161 4.161 4.320 0.003 0.000 0.216 395 A C 2.439 179.839 177.584 -0.306 0.000 1.186 395 A CA 1.939 53.267 52.037 -1.181 0.000 0.620 395 A CB -0.248 18.247 19.000 -0.842 0.000 0.822 395 A HN 0.432 nan 8.150 nan 0.000 0.443 396 A N -1.507 121.251 122.820 -0.103 0.000 1.902 396 A HA -0.158 4.164 4.320 0.003 0.000 0.217 396 A C 2.001 179.519 177.584 -0.111 0.000 1.181 396 A CA 1.607 53.622 52.037 -0.037 0.000 0.623 396 A CB -0.981 18.064 19.000 0.075 0.000 0.818 396 A HN 0.915 nan 8.150 nan 0.000 0.443 397 W N 0.736 121.838 121.300 -0.330 0.000 2.338 397 W HA -0.192 4.470 4.660 0.003 0.000 0.304 397 W C 2.558 179.036 176.519 -0.067 0.000 1.212 397 W CA 2.073 59.118 57.345 -0.499 0.000 1.264 397 W CB -0.398 29.018 29.460 -0.073 0.000 1.142 397 W HN 0.263 nan 8.180 nan 0.000 0.512 398 S N -0.101 115.703 115.700 0.174 0.000 2.355 398 S HA -0.092 4.380 4.470 0.003 0.000 0.222 398 S C 1.100 175.741 174.600 0.069 0.000 1.031 398 S CA 1.101 59.364 58.200 0.105 0.000 0.993 398 S CB -0.926 62.530 63.200 0.427 0.000 0.859 398 S HN -0.058 nan 8.310 nan 0.000 0.453 402 V N 1.442 121.202 119.914 -0.257 0.000 2.343 402 V HA -0.200 3.922 4.120 0.003 0.000 0.247 402 V C 2.134 178.081 176.094 -0.245 0.000 1.051 402 V CA 2.220 64.307 62.300 -0.355 0.000 1.036 402 V CB -0.594 30.930 31.823 -0.497 0.000 0.654 402 V HN 0.418 nan 8.190 nan 0.000 0.451 403 Y N 1.901 122.167 120.300 -0.057 0.000 2.200 403 Y HA -0.184 4.369 4.550 0.004 0.000 0.290 403 Y C 2.448 178.299 175.900 -0.082 0.000 1.137 403 Y CA 1.743 59.853 58.100 0.017 0.000 1.163 403 Y CB -0.393 38.143 38.460 0.128 0.000 0.988 403 Y HN 0.290 nan 8.280 nan 0.000 0.518 404 N N -0.088 118.509 118.700 -0.171 0.000 2.205 404 N HA -0.172 4.570 4.740 0.003 0.000 0.186 404 N C 1.850 177.166 175.510 -0.324 0.000 1.015 404 N CA 1.722 54.630 53.050 -0.238 0.000 0.862 404 N CB -0.477 37.938 38.487 -0.119 0.000 0.986 404 N HN 0.349 nan 8.380 nan 0.000 0.429 405 V N 0.388 120.076 119.914 -0.376 0.000 2.374 405 V HA -0.094 4.028 4.120 0.003 0.000 0.241 405 V C 2.442 178.337 176.094 -0.331 0.000 1.034 405 V CA 1.989 64.064 62.300 -0.375 0.000 1.037 405 V CB -0.840 30.672 31.823 -0.517 0.000 0.682 405 V HN 0.473 nan 8.190 nan 0.000 0.463 406 T N -2.623 111.718 114.554 -0.355 0.000 3.043 406 T HA -0.112 4.240 4.350 0.003 0.000 0.263 406 T C 1.103 175.627 174.700 -0.293 0.000 1.094 406 T CA 0.800 62.724 62.100 -0.292 0.000 1.127 406 T CB -0.228 68.471 68.868 -0.282 0.000 0.905 406 T HN 0.546 nan 8.240 nan 0.000 0.490 407 Q N 0.649 120.151 119.800 -0.497 0.000 2.468 407 Q HA -0.175 4.167 4.340 0.003 0.000 0.256 407 Q C -0.778 175.091 176.000 -0.218 0.000 0.984 407 Q CA 0.807 56.229 55.803 -0.635 0.000 1.110 407 Q CB -1.757 26.770 28.738 -0.350 0.000 1.527 407 Q HN 0.647 nan 8.270 nan 0.000 0.535 408 D N 0.537 120.918 120.400 -0.031 0.000 2.411 408 D HA 0.136 4.778 4.640 0.003 0.000 0.225 408 D C 0.761 177.299 176.300 0.398 0.000 1.156 408 D CA -0.033 54.065 54.000 0.163 0.000 0.874 408 D CB 0.717 41.572 40.800 0.093 0.000 1.034 408 D HN 0.094 nan 8.370 nan 0.000 0.502 409 K N 1.197 121.793 120.400 0.327 0.000 2.280 409 K HA -0.107 4.215 4.320 0.003 0.000 0.202 409 K C 1.848 178.498 176.600 0.083 0.000 1.047 409 K CA 1.373 57.771 56.287 0.185 0.000 0.942 409 K CB 0.014 32.569 32.500 0.091 0.000 0.739 409 K HN 0.531 nan 8.250 nan 0.000 0.457 410 T N -1.177 113.445 114.554 0.113 0.000 2.915 410 T HA -0.186 4.166 4.350 0.003 0.000 0.269 410 T C 1.582 176.350 174.700 0.113 0.000 1.071 410 T CA 0.384 62.530 62.100 0.078 0.000 1.132 410 T CB -0.405 68.511 68.868 0.080 0.000 0.878 410 T HN 0.503 nan 8.240 nan 0.000 0.479 411 W N 1.857 123.156 121.300 -0.002 0.000 2.379 411 W HA -0.123 4.539 4.660 0.004 0.000 0.307 411 W C 1.636 178.129 176.519 -0.043 0.000 1.200 411 W CA 0.657 57.993 57.345 -0.015 0.000 1.297 411 W CB -0.302 29.163 29.460 0.009 0.000 1.140 411 W HN 0.147 nan 8.180 nan 0.000 0.507 412 V N 2.183 121.987 119.914 -0.182 0.000 2.343 412 V HA -0.288 3.834 4.120 0.003 0.000 0.247 412 V C 2.805 178.715 176.094 -0.306 0.000 1.051 412 V CA 2.297 64.374 62.300 -0.372 0.000 1.036 412 V CB -1.633 29.969 31.823 -0.368 0.000 0.654 412 V HN 0.305 nan 8.190 nan 0.000 0.451 413 A N -0.668 122.029 122.820 -0.205 0.000 1.933 413 A HA -0.185 4.137 4.320 0.003 0.000 0.218 413 A C 1.588 179.083 177.584 -0.148 0.000 1.175 413 A CA 1.182 53.125 52.037 -0.156 0.000 0.628 413 A CB -0.336 18.602 19.000 -0.104 0.000 0.814 413 A HN 0.638 nan 8.150 nan 0.000 0.444 417 P HA -0.112 nan 4.420 nan 0.000 0.218 417 P C 0.670 177.830 177.300 -0.234 0.000 1.149 417 P CA 1.986 64.959 63.100 -0.212 0.000 0.817 417 P CB 0.113 31.763 31.700 -0.083 0.000 0.785 418 K N -0.310 119.897 120.400 -0.321 0.000 2.103 418 K HA -0.004 4.318 4.320 0.003 0.000 0.204 418 K C 2.378 178.790 176.600 -0.312 0.000 1.052 418 K CA 0.933 56.997 56.287 -0.372 0.000 0.945 418 K CB -0.521 31.532 32.500 -0.745 0.000 0.722 418 K HN 0.156 nan 8.250 nan 0.000 0.443 419 L N 0.642 121.622 121.223 -0.405 0.000 2.093 419 L HA -0.160 4.182 4.340 0.003 0.000 0.208 419 L C 2.320 179.162 176.870 -0.046 0.000 1.085 419 L CA 0.739 55.480 54.840 -0.165 0.000 0.755 419 L CB -0.433 41.471 42.059 -0.258 0.000 0.904 419 L HN -0.033 nan 8.230 nan 0.000 0.435 420 V N 0.155 119.920 119.914 -0.248 0.000 2.343 420 V HA -0.294 3.828 4.120 0.003 0.000 0.247 420 V C 2.759 178.909 176.094 0.094 0.000 1.051 420 V CA 1.830 64.024 62.300 -0.177 0.000 1.036 420 V CB -0.849 30.773 31.823 -0.335 0.000 0.654 420 V HN 0.483 nan 8.190 nan 0.000 0.451 421 A N -1.066 121.811 122.820 0.096 0.000 1.933 421 A HA -0.256 4.066 4.320 0.003 0.000 0.218 421 A C 2.197 180.007 177.584 0.378 0.000 1.175 421 A CA 1.946 54.104 52.037 0.201 0.000 0.628 421 A CB -0.709 18.375 19.000 0.141 0.000 0.814 421 A HN 0.587 nan 8.150 nan 0.000 0.444 422 Y N 0.140 120.596 120.300 0.260 0.000 2.200 422 Y HA -0.200 4.352 4.550 0.003 0.000 0.290 422 Y C 2.436 178.653 175.900 0.528 0.000 1.137 422 Y CA 1.680 59.991 58.100 0.352 0.000 1.163 422 Y CB -0.853 37.852 38.460 0.410 0.000 0.988 422 Y HN 0.639 nan 8.280 nan 0.000 0.518 423 H N 0.068 119.386 119.070 0.414 0.000 2.319 423 H HA -0.156 4.402 4.556 0.003 0.000 0.299 423 H C 1.292 176.816 175.328 0.327 0.000 1.092 423 H CA 2.172 58.418 56.048 0.330 0.000 1.302 423 H CB -0.260 29.595 29.762 0.156 0.000 1.373 423 H HN 0.307 nan 8.280 nan 0.000 0.497 424 D N -0.220 120.471 120.400 0.484 0.000 2.178 424 D HA -0.138 4.504 4.640 0.003 0.000 0.202 424 D C 2.063 178.500 176.300 0.229 0.000 0.974 424 D CA 0.824 55.022 54.000 0.331 0.000 0.841 424 D CB -0.863 40.112 40.800 0.291 0.000 0.953 424 D HN 0.525 nan 8.370 nan 0.000 0.478 425 W N 0.533 121.904 121.300 0.118 0.000 2.358 425 W HA -0.178 4.483 4.660 0.002 0.000 0.303 425 W C 1.722 178.223 176.519 -0.030 0.000 1.208 425 W CA 1.168 58.534 57.345 0.034 0.000 1.274 425 W CB -0.692 28.795 29.460 0.045 0.000 1.138 425 W HN -0.024 nan 8.180 nan 0.000 0.515 426 W N 0.346 121.598 121.300 -0.081 0.000 2.338 426 W HA -0.177 4.486 4.660 0.004 0.000 0.304 426 W C 2.320 178.598 176.519 -0.401 0.000 1.212 426 W CA 1.434 58.552 57.345 -0.379 0.000 1.264 426 W CB -0.962 28.371 29.460 -0.212 0.000 1.142 426 W HN -0.179 nan 8.180 nan 0.000 0.512 427 L N -0.241 120.947 121.223 -0.058 0.000 2.201 427 L HA -0.108 4.234 4.340 0.003 0.000 0.212 427 L C 2.476 179.260 176.870 -0.144 0.000 1.105 427 L CA 1.148 55.925 54.840 -0.105 0.000 0.775 427 L CB -0.628 41.385 42.059 -0.077 0.000 0.913 427 L HN 0.010 nan 8.230 nan 0.000 0.440 428 R N -0.206 120.180 120.500 -0.190 0.000 2.090 428 R HA 0.010 4.352 4.340 0.003 0.000 0.219 428 R C 1.297 177.424 176.300 -0.288 0.000 1.100 428 R CA 0.978 56.963 56.100 -0.193 0.000 0.991 428 R CB -0.048 30.173 30.300 -0.132 0.000 0.893 428 R HN 0.322 nan 8.270 nan 0.000 0.443 429 N N -0.289 118.093 118.700 -0.530 0.000 2.205 429 N HA 0.064 4.806 4.740 0.003 0.000 0.201 429 N C 0.108 175.326 175.510 -0.487 0.000 1.128 429 N CA 0.261 52.973 53.050 -0.562 0.000 0.867 429 N CB 0.783 38.794 38.487 -0.792 0.000 0.996 429 N HN -0.108 nan 8.380 nan 0.000 0.503 430 R N 0.455 120.707 120.500 -0.413 0.000 2.734 430 R HA 0.226 4.568 4.340 0.003 0.000 0.395 430 R C -0.919 175.324 176.300 -0.094 0.000 1.096 430 R CA -0.071 55.919 56.100 -0.184 0.000 1.071 430 R CB 0.091 30.375 30.300 -0.027 0.000 1.348 430 R HN -0.007 nan 8.270 nan 0.000 0.600 431 D N -0.651 119.682 120.400 -0.112 0.000 2.621 431 D HA 0.054 4.696 4.640 0.003 0.000 0.274 431 D C 0.907 177.164 176.300 -0.070 0.000 1.215 431 D CA -0.291 53.655 54.000 -0.090 0.000 0.810 431 D CB 0.093 40.822 40.800 -0.118 0.000 1.248 431 D HN 0.144 nan 8.370 nan 0.000 0.517 432 H N 2.098 121.098 119.070 -0.118 0.000 2.357 432 H HA -0.167 4.391 4.556 0.003 0.000 0.296 432 H C 1.337 176.615 175.328 -0.084 0.000 1.108 432 H CA 2.669 58.652 56.048 -0.108 0.000 1.273 432 H CB 0.427 30.125 29.762 -0.106 0.000 1.367 432 H HN 0.297 nan 8.280 nan 0.000 0.498 433 N N -0.357 118.280 118.700 -0.105 0.000 2.270 433 N HA 0.071 4.813 4.740 0.003 0.000 0.198 433 N C 1.012 176.451 175.510 -0.118 0.000 1.117 433 N CA 0.704 53.675 53.050 -0.132 0.000 0.845 433 N CB -0.337 38.139 38.487 -0.019 0.000 0.980 433 N HN 0.495 nan 8.380 nan 0.000 0.486 434 G N 1.981 110.706 108.800 -0.125 0.000 2.341 434 G HA2 -0.371 3.591 3.960 0.003 0.000 0.292 434 G HA3 -0.371 3.591 3.960 0.003 0.000 0.292 434 G C 0.423 175.267 174.900 -0.094 0.000 1.021 434 G CA 0.621 45.655 45.100 -0.109 0.000 0.905 434 G HN 0.725 nan 8.290 nan 0.000 0.508 435 N N -0.407 118.229 118.700 -0.108 0.000 2.230 435 N HA 0.365 5.107 4.740 0.003 0.000 0.202 435 N C 1.603 177.013 175.510 -0.167 0.000 1.119 435 N CA 0.528 53.509 53.050 -0.116 0.000 0.851 435 N CB 0.008 38.431 38.487 -0.108 0.000 0.990 435 N HN 1.507 nan 8.380 nan 0.000 0.497 436 G N -0.720 107.985 108.800 -0.158 0.000 2.159 436 G HA2 -0.241 3.721 3.960 0.003 0.000 0.256 436 G HA3 -0.241 3.721 3.960 0.003 0.000 0.256 436 G C -0.503 174.263 174.900 -0.224 0.000 0.977 436 G CA 0.343 45.348 45.100 -0.159 0.000 0.652 436 G HN 0.316 nan 8.290 nan 0.000 0.531 437 V N 1.839 121.573 119.914 -0.300 0.000 2.284 437 V HA 0.383 4.505 4.120 0.003 0.000 0.274 437 V C -1.613 174.332 176.094 -0.248 0.000 1.023 437 V CA -1.637 60.452 62.300 -0.353 0.000 0.808 437 V CB 1.447 32.882 31.823 -0.646 0.000 1.035 437 V HN 0.079 nan 8.190 nan 0.000 0.445 438 P HA 0.177 nan 4.420 nan 0.000 0.270 438 P C -0.364 176.823 177.300 -0.189 0.000 1.221 438 P CA 0.107 63.103 63.100 -0.173 0.000 0.788 438 P CB 0.767 32.359 31.700 -0.179 0.000 0.904 439 E N -0.357 119.777 120.200 -0.110 0.000 2.378 439 E HA 0.455 4.807 4.350 0.003 0.000 0.265 439 E C -1.004 175.586 176.600 -0.017 0.000 0.932 439 E CA -0.531 55.811 56.400 -0.097 0.000 0.795 439 E CB 0.466 30.163 29.700 -0.005 0.000 1.296 439 E HN 0.274 nan 8.360 nan 0.000 0.438 440 Y N 0.102 120.478 120.300 0.127 0.000 2.304 440 Y HA 0.629 5.181 4.550 0.003 0.000 0.327 440 Y C 0.991 176.981 175.900 0.149 0.000 1.209 440 Y CA 0.404 58.605 58.100 0.168 0.000 1.299 440 Y CB 1.329 39.813 38.460 0.040 0.000 1.249 440 Y HN 0.601 nan 8.280 nan 0.000 0.519 441 G N -0.281 108.750 108.800 0.385 0.000 2.793 441 G HA2 0.753 4.715 3.960 0.003 0.000 0.248 441 G HA3 0.753 4.715 3.960 0.003 0.000 0.248 441 G C -1.808 173.284 174.900 0.320 0.000 1.198 441 G CA -0.224 45.044 45.100 0.279 0.000 0.865 441 G HN 0.819 nan 8.290 nan 0.000 0.534 442 A N -1.075 121.945 122.820 0.334 0.000 2.594 442 A HA 0.903 5.225 4.320 0.003 0.000 0.291 442 A C 0.075 177.908 177.584 0.414 0.000 1.105 442 A CA 0.415 52.680 52.037 0.380 0.000 0.694 442 A CB 1.071 20.219 19.000 0.247 0.000 1.291 442 A HN 1.835 nan 8.150 nan 0.000 0.410 443 T N -1.298 113.497 114.554 0.401 0.000 2.897 443 T HA 0.611 4.963 4.350 0.003 0.000 0.278 443 T C 0.330 175.239 174.700 0.348 0.000 0.981 443 T CA -0.620 61.615 62.100 0.224 0.000 0.973 443 T CB 0.732 69.571 68.868 -0.047 0.000 1.092 443 T HN 0.849 nan 8.240 nan 0.000 0.543 444 R N 0.617 121.202 120.500 0.143 0.000 2.389 444 R HA 0.439 4.781 4.340 0.003 0.000 0.295 444 R C -1.084 175.273 176.300 0.095 0.000 1.075 444 R CA -0.158 56.041 56.100 0.165 0.000 1.005 444 R CB 0.048 30.371 30.300 0.038 0.000 0.987 444 R HN 0.906 nan 8.270 nan 0.000 0.452 445 D N 1.565 122.010 120.400 0.074 0.000 2.623 445 D HA 0.145 4.787 4.640 0.003 0.000 0.241 445 D C -0.053 176.213 176.300 -0.056 0.000 1.241 445 D CA -0.683 53.258 54.000 -0.097 0.000 0.788 445 D CB 1.608 42.152 40.800 -0.427 0.000 1.413 445 D HN 0.452 nan 8.370 nan 0.000 0.429 446 K N 0.684 121.059 120.400 -0.041 0.000 2.211 446 K HA -0.072 4.250 4.320 0.003 0.000 0.204 446 K C 1.479 178.080 176.600 0.002 0.000 1.047 446 K CA 1.266 57.553 56.287 -0.000 0.000 0.935 446 K CB -0.055 32.452 32.500 0.011 0.000 0.728 446 K HN 0.372 nan 8.250 nan 0.000 0.452 447 A N 0.181 122.966 122.820 -0.059 0.000 2.123 447 A HA -0.060 4.262 4.320 0.003 0.000 0.214 447 A C 1.272 178.935 177.584 0.132 0.000 1.152 447 A CA 0.789 52.830 52.037 0.007 0.000 0.728 447 A CB -0.368 18.633 19.000 0.001 0.000 0.814 447 A HN 0.366 nan 8.150 nan 0.000 0.464 448 H N -1.034 118.056 119.070 0.034 0.000 2.604 448 H HA 0.115 4.672 4.556 0.003 0.000 0.273 448 H C 0.058 175.405 175.328 0.032 0.000 0.971 448 H CA 0.230 56.274 56.048 -0.007 0.000 1.249 448 H CB 0.251 30.029 29.762 0.027 0.000 1.449 448 H HN 0.731 nan 8.280 nan 0.000 0.512 449 N N -0.021 118.800 118.700 0.202 0.000 2.647 449 N HA 0.164 4.906 4.740 0.003 0.000 0.266 449 N C -0.504 175.068 175.510 0.103 0.000 1.373 449 N CA -0.715 52.436 53.050 0.168 0.000 0.807 449 N CB 1.297 39.930 38.487 0.244 0.000 1.513 449 N HN -0.020 nan 8.380 nan 0.000 0.505 450 T N -2.790 111.815 114.554 0.085 0.000 2.770 450 T HA 0.232 4.584 4.350 0.003 0.000 0.281 450 T C 0.762 175.495 174.700 0.055 0.000 0.981 450 T CA -0.358 61.776 62.100 0.056 0.000 0.955 450 T CB 0.492 69.386 68.868 0.043 0.000 1.060 450 T HN 0.578 nan 8.240 nan 0.000 0.531 451 E N 0.442 120.666 120.200 0.040 0.000 2.118 451 E HA -0.130 4.222 4.350 0.003 0.000 0.195 451 E C 2.238 178.860 176.600 0.037 0.000 0.992 451 E CA 1.484 57.905 56.400 0.035 0.000 0.804 451 E CB -0.213 29.503 29.700 0.026 0.000 0.741 451 E HN 0.794 nan 8.360 nan 0.000 0.458 452 S N -0.752 114.972 115.700 0.039 0.000 2.603 452 S HA 0.160 4.632 4.470 0.003 0.000 0.220 452 S C 1.511 176.140 174.600 0.048 0.000 0.967 452 S CA 0.318 58.541 58.200 0.038 0.000 0.920 452 S CB 0.509 63.730 63.200 0.036 0.000 0.773 452 S HN 0.387 nan 8.310 nan 0.000 0.529 453 G N 0.479 109.317 108.800 0.063 0.000 2.131 453 G HA2 -0.205 3.757 3.960 0.003 0.000 0.223 453 G HA3 -0.205 3.757 3.960 0.003 0.000 0.223 453 G C -0.185 174.783 174.900 0.114 0.000 0.990 453 G CA 0.056 45.204 45.100 0.081 0.000 0.671 453 G HN 0.579 nan 8.290 nan 0.000 0.521 457 F N -0.967 118.939 119.950 -0.073 0.000 2.708 457 F HA 0.751 5.280 4.527 0.003 0.000 0.309 457 F C -1.320 174.437 175.800 -0.071 0.000 1.120 457 F CA -0.559 57.380 58.000 -0.100 0.000 0.978 457 F CB 1.684 40.625 39.000 -0.099 0.000 1.283 457 F HN 0.213 nan 8.300 nan 0.000 0.439 458 T N 2.851 117.446 114.554 0.068 0.000 2.792 458 T HA 0.633 4.985 4.350 0.003 0.000 0.280 458 T C -0.936 173.798 174.700 0.058 0.000 0.990 458 T CA -0.671 61.419 62.100 -0.017 0.000 0.960 458 T CB 1.732 70.580 68.868 -0.034 0.000 0.939 458 T HN 0.599 nan 8.240 nan 0.000 0.439 459 V N 3.839 123.777 119.914 0.040 0.000 2.394 459 V HA 0.562 4.684 4.120 0.003 0.000 0.282 459 V C 0.061 176.165 176.094 0.016 0.000 1.031 459 V CA -0.750 61.559 62.300 0.016 0.000 0.881 459 V CB 1.409 33.275 31.823 0.071 0.000 0.982 459 V HN 0.619 nan 8.190 nan 0.000 0.451 460 K N 4.149 124.562 120.400 0.022 0.000 2.292 460 K HA 0.686 5.008 4.320 0.003 0.000 0.257 460 K C -0.934 175.726 176.600 0.101 0.000 0.940 460 K CA -0.703 55.615 56.287 0.052 0.000 0.811 460 K CB 1.397 33.922 32.500 0.041 0.000 1.120 460 K HN 0.521 nan 8.250 nan 0.000 0.428 461 K N 3.031 123.480 120.400 0.081 0.000 2.668 461 K HA 0.530 4.852 4.320 0.003 0.000 0.246 461 K C 0.085 176.717 176.600 0.054 0.000 0.976 461 K CA 0.387 56.725 56.287 0.085 0.000 0.902 461 K CB 0.871 33.424 32.500 0.089 0.000 1.172 461 K HN 0.682 nan 8.250 nan 0.000 0.452 462 G N 3.592 112.420 108.800 0.047 0.000 2.601 462 G HA2 -0.320 3.642 3.960 0.003 0.000 0.306 462 G HA3 -0.320 3.642 3.960 0.003 0.000 0.306 462 G C 0.185 175.102 174.900 0.028 0.000 1.172 462 G CA 0.511 45.631 45.100 0.032 0.000 0.966 462 G HN 0.626 nan 8.290 nan 0.000 0.542 463 D N 1.406 121.820 120.400 0.023 0.000 2.398 463 D HA 0.168 4.810 4.640 0.003 0.000 0.210 463 D C 0.484 176.795 176.300 0.019 0.000 1.094 463 D CA 0.150 54.162 54.000 0.019 0.000 0.839 463 D CB 0.367 41.176 40.800 0.014 0.000 0.963 463 D HN 0.175 nan 8.370 nan 0.000 0.506 464 K N 1.680 122.094 120.400 0.023 0.000 2.227 464 K HA 0.323 4.645 4.320 0.003 0.000 0.280 464 K C 0.338 176.951 176.600 0.022 0.000 1.041 464 K CA -0.035 56.265 56.287 0.021 0.000 0.905 464 K CB 1.824 34.339 32.500 0.026 0.000 1.068 464 K HN 0.095 nan 8.250 nan 0.000 0.470 465 E N 1.705 121.912 120.200 0.012 0.000 2.227 465 E HA 0.293 4.645 4.350 0.003 0.000 0.268 465 E C -0.930 175.665 176.600 -0.008 0.000 0.907 465 E CA -0.634 55.768 56.400 0.004 0.000 0.786 465 E CB 2.385 32.084 29.700 -0.002 0.000 1.191 465 E HN 0.413 nan 8.360 nan 0.000 0.411 466 E N 1.869 122.057 120.200 -0.020 0.000 2.361 466 E HA 0.124 4.476 4.350 0.003 0.000 0.270 466 E C -1.440 175.095 176.600 -0.108 0.000 0.911 466 E CA -0.453 55.919 56.400 -0.046 0.000 0.818 466 E CB 1.164 30.851 29.700 -0.023 0.000 1.332 466 E HN 0.520 nan 8.360 nan 0.000 0.402 467 T N 1.633 116.107 114.554 -0.133 0.000 2.749 467 T HA 0.395 4.747 4.350 0.003 0.000 0.295 467 T C 0.086 174.594 174.700 -0.321 0.000 0.936 467 T CA -0.488 61.482 62.100 -0.218 0.000 1.060 467 T CB 1.263 70.046 68.868 -0.141 0.000 0.904 467 T HN 0.421 nan 8.240 nan 0.000 0.500 468 Q N 1.760 121.172 119.800 -0.647 0.000 2.572 468 Q HA 0.758 5.100 4.340 0.003 0.000 0.284 468 Q C -0.640 174.915 176.000 -0.743 0.000 1.091 468 Q CA -1.237 54.148 55.803 -0.696 0.000 0.840 468 Q CB 2.260 30.507 28.738 -0.818 0.000 1.433 468 Q HN 0.922 nan 8.270 nan 0.000 0.471 469 S N -1.515 113.977 115.700 -0.347 0.000 2.579 469 S HA 0.885 5.357 4.470 0.003 0.000 0.272 469 S C -0.549 174.153 174.600 0.169 0.000 1.141 469 S CA -0.303 57.866 58.200 -0.051 0.000 0.843 469 S CB 1.913 65.101 63.200 -0.020 0.000 1.122 469 S HN 1.169 nan 8.310 nan 0.000 0.468 470 G N 0.391 109.344 108.800 0.255 0.000 3.225 470 G HA2 0.109 4.071 3.960 0.003 0.000 0.686 470 G HA3 0.109 4.071 3.960 0.003 0.000 0.686 470 G C -0.153 174.934 174.900 0.311 0.000 1.105 470 G CA -0.254 44.993 45.100 0.245 0.000 0.831 470 G HN 1.490 nan 8.290 nan 0.000 0.578 471 L N 1.993 123.355 121.223 0.232 0.000 2.042 471 L HA -0.049 4.293 4.340 0.003 0.000 0.210 471 L C 2.476 179.486 176.870 0.234 0.000 1.076 471 L CA 2.804 57.782 54.840 0.231 0.000 0.749 471 L CB -0.361 41.805 42.059 0.178 0.000 0.893 471 L HN 0.694 nan 8.230 nan 0.000 0.432 472 N N 0.115 118.920 118.700 0.174 0.000 2.120 472 N HA -0.185 4.557 4.740 0.003 0.000 0.188 472 N C 1.558 177.145 175.510 0.129 0.000 1.024 472 N CA 1.542 54.668 53.050 0.128 0.000 0.852 472 N CB -0.601 37.947 38.487 0.101 0.000 1.003 472 N HN 0.508 nan 8.380 nan 0.000 0.424 473 N N 0.613 119.432 118.700 0.199 0.000 2.142 473 N HA -0.163 4.579 4.740 0.003 0.000 0.186 473 N C 1.776 177.392 175.510 0.177 0.000 1.023 473 N CA 0.590 53.786 53.050 0.243 0.000 0.852 473 N CB -0.517 38.194 38.487 0.373 0.000 0.998 473 N HN 0.377 nan 8.380 nan 0.000 0.424 474 Y N 1.991 122.246 120.300 -0.075 0.000 2.097 474 Y HA -0.177 4.374 4.550 0.003 0.000 0.282 474 Y C 2.372 178.116 175.900 -0.260 0.000 1.152 474 Y CA 1.800 59.560 58.100 -0.566 0.000 1.136 474 Y CB -0.707 37.421 38.460 -0.554 0.000 0.975 474 Y HN 0.057 nan 8.280 nan 0.000 0.498 475 A N 0.814 123.443 122.820 -0.318 0.000 1.917 475 A HA -0.258 4.064 4.320 0.003 0.000 0.219 475 A C 2.439 179.877 177.584 -0.243 0.000 1.182 475 A CA 3.103 54.938 52.037 -0.337 0.000 0.633 475 A CB -1.440 17.516 19.000 -0.073 0.000 0.819 475 A HN 0.600 nan 8.150 nan 0.000 0.448 476 R N -0.733 119.694 120.500 -0.121 0.000 2.070 476 R HA -0.000 4.342 4.340 0.003 0.000 0.233 476 R C 2.279 178.543 176.300 -0.059 0.000 1.137 476 R CA 1.789 57.856 56.100 -0.055 0.000 0.945 476 R CB -1.856 28.450 30.300 0.010 0.000 0.845 476 R HN 0.447 nan 8.270 nan 0.000 0.430 477 V N 0.957 120.830 119.914 -0.067 0.000 2.282 477 V HA -0.272 3.850 4.120 0.003 0.000 0.249 477 V C 2.605 178.723 176.094 0.039 0.000 1.057 477 V CA 2.146 64.447 62.300 0.001 0.000 1.032 477 V CB -0.556 31.243 31.823 -0.040 0.000 0.645 477 V HN 0.433 nan 8.190 nan 0.000 0.447 478 V N -0.253 119.558 119.914 -0.172 0.000 2.515 478 V HA -0.262 3.860 4.120 0.003 0.000 0.250 478 V C 2.406 178.468 176.094 -0.054 0.000 1.058 478 V CA 2.171 64.409 62.300 -0.103 0.000 1.064 478 V CB -0.561 31.020 31.823 -0.403 0.000 0.675 478 V HN 0.679 nan 8.190 nan 0.000 0.461 479 E N 0.252 120.402 120.200 -0.083 0.000 2.106 479 E HA -0.202 4.150 4.350 0.003 0.000 0.192 479 E C 2.245 178.825 176.600 -0.033 0.000 0.984 479 E CA 1.048 57.416 56.400 -0.054 0.000 0.806 479 E CB 0.040 29.710 29.700 -0.051 0.000 0.750 479 E HN 0.566 nan 8.360 nan 0.000 0.458 480 K N -0.703 119.690 120.400 -0.012 0.000 2.103 480 K HA -0.010 4.312 4.320 0.003 0.000 0.204 480 K C 1.365 177.930 176.600 -0.058 0.000 1.052 480 K CA 0.739 57.018 56.287 -0.013 0.000 0.945 480 K CB -0.027 32.485 32.500 0.021 0.000 0.722 480 K HN 0.314 nan 8.250 nan 0.000 0.443 481 G N 2.325 111.075 108.800 -0.084 0.000 2.203 481 G HA2 -0.305 3.657 3.960 0.003 0.000 0.263 481 G HA3 -0.305 3.657 3.960 0.003 0.000 0.263 481 G C -0.099 174.546 174.900 -0.425 0.000 1.012 481 G CA 0.396 45.273 45.100 -0.372 0.000 0.749 481 G HN 0.436 nan 8.290 nan 0.000 0.512 482 Q N -0.464 119.240 119.800 -0.161 0.000 3.122 482 Q HA 0.482 4.824 4.340 0.003 0.000 0.360 482 Q C -0.086 175.935 176.000 0.034 0.000 1.300 482 Q CA -0.194 55.565 55.803 -0.072 0.000 0.982 482 Q CB -0.086 28.657 28.738 0.009 0.000 1.534 482 Q HN 0.855 nan 8.270 nan 0.000 0.474 483 Y N -3.650 116.656 120.300 0.010 0.000 2.638 483 Y HA 0.368 4.921 4.550 0.004 0.000 0.335 483 Y C -0.269 175.639 175.900 0.013 0.000 1.155 483 Y CA -1.526 56.584 58.100 0.017 0.000 1.046 483 Y CB 0.738 39.214 38.460 0.026 0.000 1.303 483 Y HN -0.167 nan 8.280 nan 0.000 0.460 484 D N 0.800 121.368 120.400 0.279 0.000 2.262 484 D HA 0.095 4.737 4.640 0.003 0.000 0.212 484 D C 0.001 176.465 176.300 0.274 0.000 0.964 484 D CA 1.605 55.711 54.000 0.177 0.000 0.875 484 D CB 0.457 41.320 40.800 0.105 0.000 0.996 484 D HN 0.544 nan 8.370 nan 0.000 0.497 485 S N -0.325 115.577 115.700 0.337 0.000 2.565 485 S HA 0.536 5.008 4.470 0.003 0.000 0.269 485 S C -1.522 173.052 174.600 -0.044 0.000 1.153 485 S CA -1.005 57.312 58.200 0.196 0.000 0.835 485 S CB 2.327 65.582 63.200 0.092 0.000 1.122 485 S HN -0.003 nan 8.310 nan 0.000 0.462 486 L N 1.321 122.450 121.223 -0.157 0.000 2.372 486 L HA 0.595 4.937 4.340 0.003 0.000 0.274 486 L C -1.009 175.787 176.870 -0.123 0.000 0.988 486 L CA -0.229 54.448 54.840 -0.272 0.000 0.833 486 L CB 1.456 43.220 42.059 -0.492 0.000 1.236 486 L HN 0.886 nan 8.230 nan 0.000 0.410 487 E N 6.776 126.936 120.200 -0.067 0.000 2.081 487 E HA 0.445 4.797 4.350 0.003 0.000 0.276 487 E C -0.945 175.608 176.600 -0.077 0.000 0.950 487 E CA -0.142 56.218 56.400 -0.068 0.000 0.776 487 E CB 1.480 31.157 29.700 -0.038 0.000 1.094 487 E HN 0.500 nan 8.360 nan 0.000 0.402 488 I N 4.818 125.274 120.570 -0.190 0.000 2.420 488 I HA 0.191 4.363 4.170 0.003 0.000 0.282 488 I C -1.912 173.974 176.117 -0.385 0.000 1.019 488 I CA -2.356 58.774 61.300 -0.282 0.000 1.130 488 I CB 1.587 39.291 38.000 -0.493 0.000 1.262 488 I HN 0.231 nan 8.210 nan 0.000 0.454 489 P HA -0.260 nan 4.420 nan 0.000 0.216 489 P C 1.550 178.501 177.300 -0.583 0.000 1.157 489 P CA 1.548 64.484 63.100 -0.273 0.000 0.880 489 P CB 0.348 32.027 31.700 -0.034 0.000 0.791 490 A N -0.623 121.684 122.820 -0.855 0.000 1.933 490 A HA -0.262 4.060 4.320 0.003 0.000 0.218 490 A C 2.349 179.408 177.584 -0.875 0.000 1.175 490 A CA 1.784 53.075 52.037 -1.243 0.000 0.628 490 A CB -1.363 16.967 19.000 -1.116 0.000 0.814 490 A HN 0.216 nan 8.150 nan 0.000 0.444 491 Q N -0.458 118.645 119.800 -1.161 0.000 2.230 491 Q HA -0.059 4.283 4.340 0.003 0.000 0.202 491 Q C 1.764 177.388 176.000 -0.627 0.000 0.963 491 Q CA 1.310 56.409 55.803 -1.175 0.000 0.866 491 Q CB -0.113 27.818 28.738 -1.344 0.000 0.931 491 Q HN 0.404 nan 8.270 nan 0.000 0.452 492 V N 0.606 120.147 119.914 -0.622 0.000 2.358 492 V HA -0.226 3.896 4.120 0.003 0.000 0.246 492 V C 2.271 177.742 176.094 -1.038 0.000 1.047 492 V CA 1.710 63.618 62.300 -0.652 0.000 1.035 492 V CB -0.853 30.600 31.823 -0.616 0.000 0.658 492 V HN 0.509 nan 8.190 nan 0.000 0.452 493 A N -0.055 122.214 122.820 -0.919 0.000 1.972 493 A HA -0.073 4.249 4.320 0.003 0.000 0.219 493 A C 2.382 179.818 177.584 -0.247 0.000 1.169 493 A CA 1.865 53.511 52.037 -0.651 0.000 0.635 493 A CB -0.617 18.292 19.000 -0.152 0.000 0.810 493 A HN 0.560 nan 8.150 nan 0.000 0.446 494 A N 0.349 123.035 122.820 -0.223 0.000 1.969 494 A HA -0.061 4.261 4.320 0.003 0.000 0.218 494 A C 2.478 179.939 177.584 -0.205 0.000 1.169 494 A CA 2.106 54.111 52.037 -0.053 0.000 0.635 494 A CB -0.851 18.206 19.000 0.095 0.000 0.810 494 A HN 0.978 nan 8.150 nan 0.000 0.445 495 S N -1.538 113.990 115.700 -0.287 0.000 2.402 495 S HA -0.161 4.312 4.470 0.003 0.000 0.229 495 S C 1.718 176.216 174.600 -0.170 0.000 1.021 495 S CA 1.053 59.076 58.200 -0.295 0.000 0.974 495 S CB -0.596 62.546 63.200 -0.096 0.000 0.800 495 S HN 0.663 nan 8.310 nan 0.000 0.484 496 W N 2.048 123.252 121.300 -0.160 0.000 2.418 496 W HA 0.257 4.919 4.660 0.003 0.000 0.292 496 W C 2.480 178.910 176.519 -0.149 0.000 1.213 496 W CA 0.290 57.569 57.345 -0.111 0.000 1.283 496 W CB -1.145 28.327 29.460 0.021 0.000 1.119 496 W HN 0.531 nan 8.180 nan 0.000 0.542 497 E N 0.691 120.949 120.200 0.097 0.000 2.204 497 E HA -0.177 4.175 4.350 0.003 0.000 0.194 497 E C 2.235 178.616 176.600 -0.364 0.000 0.989 497 E CA 1.800 58.230 56.400 0.050 0.000 0.824 497 E CB -0.009 29.834 29.700 0.237 0.000 0.756 497 E HN 0.120 nan 8.360 nan 0.000 0.477 498 S N -1.217 114.033 115.700 -0.750 0.000 2.453 498 S HA 0.052 4.524 4.470 0.003 0.000 0.231 498 S C 1.736 175.819 174.600 -0.862 0.000 1.005 498 S CA 0.828 58.194 58.200 -1.389 0.000 0.949 498 S CB 0.128 62.495 63.200 -1.389 0.000 0.774 498 S HN 0.491 nan 8.310 nan 0.000 0.510 499 G N 1.304 109.740 108.800 -0.608 0.000 2.176 499 G HA2 -0.253 3.709 3.960 0.003 0.000 0.253 499 G HA3 -0.253 3.709 3.960 0.003 0.000 0.253 499 G C 0.219 174.641 174.900 -0.797 0.000 0.979 499 G CA 0.111 44.866 45.100 -0.575 0.000 0.641 499 G HN 0.610 nan 8.290 nan 0.000 0.530 500 R N 0.667 120.660 120.500 -0.844 0.000 2.639 500 R HA 0.313 4.655 4.340 0.003 0.000 0.273 500 R C 0.359 176.281 176.300 -0.630 0.000 1.732 500 R CA 0.045 55.336 56.100 -1.348 0.000 1.586 500 R CB 0.513 30.287 30.300 -0.876 0.000 1.263 500 R HN 0.307 nan 8.270 nan 0.000 0.615 501 D N -0.555 119.551 120.400 -0.490 0.000 2.392 501 D HA -0.150 4.492 4.640 0.003 0.000 0.228 501 D C 0.364 176.269 176.300 -0.659 0.000 1.003 501 D CA 0.702 54.520 54.000 -0.303 0.000 0.917 501 D CB 0.284 41.092 40.800 0.012 0.000 0.890 501 D HN 0.307 nan 8.370 nan 0.000 0.532 502 D N -1.034 119.141 120.400 -0.375 0.000 2.651 502 D HA 0.291 4.933 4.640 0.003 0.000 0.280 502 D C -0.412 175.988 176.300 0.168 0.000 1.496 502 D CA -0.275 53.477 54.000 -0.413 0.000 0.792 502 D CB 0.415 41.211 40.800 -0.006 0.000 1.144 502 D HN 0.230 nan 8.370 nan 0.000 0.470 503 A N 0.258 123.269 122.820 0.318 0.000 2.425 503 A HA 0.566 4.888 4.320 0.003 0.000 0.249 503 A C 1.689 179.559 177.584 0.477 0.000 1.084 503 A CA 0.391 52.680 52.037 0.419 0.000 0.781 503 A CB 0.646 19.829 19.000 0.306 0.000 1.019 503 A HN 0.284 nan 8.150 nan 0.000 0.490 504 A N 2.196 125.245 122.820 0.381 0.000 1.908 504 A HA -0.071 4.251 4.320 0.003 0.000 0.218 504 A C 2.071 179.845 177.584 0.318 0.000 1.181 504 A CA 1.919 54.227 52.037 0.451 0.000 0.627 504 A CB -0.948 18.322 19.000 0.451 0.000 0.818 504 A HN 1.526 nan 8.150 nan 0.000 0.445 505 V N -1.219 118.715 119.914 0.034 0.000 2.688 505 V HA -0.159 3.963 4.120 0.003 0.000 0.256 505 V C 1.349 177.285 176.094 -0.263 0.000 1.084 505 V CA 1.626 63.793 62.300 -0.221 0.000 1.103 505 V CB -0.734 30.834 31.823 -0.425 0.000 0.688 505 V HN 0.501 nan 8.190 nan 0.000 0.480 506 F N 0.758 120.850 119.950 0.237 0.000 2.645 506 F HA 0.530 5.059 4.527 0.004 0.000 0.300 506 F C 1.698 177.482 175.800 -0.027 0.000 1.115 506 F CA 0.101 58.208 58.000 0.178 0.000 1.355 506 F CB -0.180 39.020 39.000 0.334 0.000 1.026 506 F HN 0.238 nan 8.300 nan 0.000 0.536 507 G N -0.426 108.476 108.800 0.170 0.000 2.176 507 G HA2 -0.302 3.660 3.960 0.003 0.000 0.253 507 G HA3 -0.302 3.660 3.960 0.003 0.000 0.253 507 G C 0.085 174.990 174.900 0.008 0.000 0.979 507 G CA -0.560 44.606 45.100 0.111 0.000 0.641 507 G HN 0.178 nan 8.290 nan 0.000 0.530 508 F N 0.611 120.737 119.950 0.294 0.000 2.444 508 F HA 0.733 5.262 4.527 0.003 0.000 0.360 508 F C 0.681 176.527 175.800 0.076 0.000 1.106 508 F CA -0.507 57.599 58.000 0.177 0.000 1.170 508 F CB 1.017 40.133 39.000 0.192 0.000 1.113 508 F HN 0.164 nan 8.300 nan 0.000 0.521 509 I N 3.356 123.963 120.570 0.061 0.000 2.743 509 I HA 0.249 4.421 4.170 0.003 0.000 0.292 509 I C -1.508 174.536 176.117 -0.121 0.000 1.343 509 I CA -0.895 60.298 61.300 -0.177 0.000 1.038 509 I CB 1.669 39.227 38.000 -0.735 0.000 1.311 509 I HN 0.573 nan 8.210 nan 0.000 0.426 510 D N 6.272 126.617 120.400 -0.092 0.000 2.358 510 D HA 0.219 4.861 4.640 0.003 0.000 0.244 510 D C 0.662 176.911 176.300 -0.084 0.000 1.163 510 D CA -0.379 53.589 54.000 -0.054 0.000 0.945 510 D CB 1.046 41.830 40.800 -0.027 0.000 1.152 510 D HN 0.470 nan 8.370 nan 0.000 0.451 511 K N 0.119 120.491 120.400 -0.048 0.000 2.034 511 K HA -0.246 4.076 4.320 0.003 0.000 0.214 511 K C 1.727 178.299 176.600 -0.046 0.000 1.051 511 K CA 1.881 58.142 56.287 -0.044 0.000 0.931 511 K CB -0.186 32.303 32.500 -0.019 0.000 0.715 511 K HN 0.437 nan 8.250 nan 0.000 0.446 512 E N 1.041 121.220 120.200 -0.035 0.000 2.049 512 E HA -0.211 4.141 4.350 0.003 0.000 0.198 512 E C 2.084 178.664 176.600 -0.032 0.000 1.007 512 E CA 1.516 57.901 56.400 -0.025 0.000 0.809 512 E CB -0.193 29.497 29.700 -0.016 0.000 0.749 512 E HN 0.328 nan 8.360 nan 0.000 0.450 513 Q N -0.379 119.386 119.800 -0.059 0.000 2.124 513 Q HA -0.123 4.219 4.340 0.003 0.000 0.202 513 Q C 2.164 178.096 176.000 -0.113 0.000 0.977 513 Q CA 0.990 56.746 55.803 -0.078 0.000 0.850 513 Q CB -0.182 28.482 28.738 -0.125 0.000 0.901 513 Q HN 0.180 nan 8.270 nan 0.000 0.429 514 L N 1.295 122.413 121.223 -0.176 0.000 2.056 514 L HA -0.156 4.186 4.340 0.003 0.000 0.207 514 L C 1.495 178.361 176.870 -0.006 0.000 1.078 514 L CA 1.863 56.592 54.840 -0.185 0.000 0.749 514 L CB -0.474 41.452 42.059 -0.221 0.000 0.901 514 L HN 0.104 nan 8.230 nan 0.000 0.433 515 D N -0.230 120.164 120.400 -0.011 0.000 2.123 515 D HA -0.255 4.387 4.640 0.003 0.000 0.196 515 D C 2.076 178.396 176.300 0.033 0.000 0.992 515 D CA 1.422 55.431 54.000 0.015 0.000 0.833 515 D CB -0.041 40.760 40.800 0.001 0.000 0.954 515 D HN 0.415 nan 8.370 nan 0.000 0.455 516 K N -0.265 120.156 120.400 0.035 0.000 2.057 516 K HA -0.198 4.124 4.320 0.003 0.000 0.207 516 K C 2.280 178.928 176.600 0.080 0.000 1.049 516 K CA 0.752 57.066 56.287 0.045 0.000 0.931 516 K CB -0.213 32.313 32.500 0.044 0.000 0.714 516 K HN 0.082 nan 8.250 nan 0.000 0.440 517 Y N 1.176 121.471 120.300 -0.009 0.000 2.097 517 Y HA -0.248 4.304 4.550 0.003 0.000 0.282 517 Y C 1.858 177.794 175.900 0.061 0.000 1.152 517 Y CA 1.703 59.832 58.100 0.048 0.000 1.136 517 Y CB -0.346 38.153 38.460 0.065 0.000 0.975 517 Y HN -0.153 nan 8.280 nan 0.000 0.498 518 V N 0.445 120.417 119.914 0.097 0.000 2.427 518 V HA -0.294 3.828 4.120 0.003 0.000 0.248 518 V C 2.655 178.717 176.094 -0.052 0.000 1.051 518 V CA 1.683 63.986 62.300 0.006 0.000 1.048 518 V CB -1.583 30.287 31.823 0.078 0.000 0.666 518 V HN 0.571 nan 8.190 nan 0.000 0.456 519 A N 0.280 123.086 122.820 -0.024 0.000 2.019 519 A HA -0.179 4.143 4.320 0.003 0.000 0.219 519 A C 1.853 179.404 177.584 -0.054 0.000 1.164 519 A CA 1.640 53.660 52.037 -0.029 0.000 0.644 519 A CB -0.526 18.468 19.000 -0.010 0.000 0.805 519 A HN 0.596 nan 8.150 nan 0.000 0.449 520 N N -0.764 117.883 118.700 -0.088 0.000 2.383 520 N HA 0.145 4.887 4.740 0.003 0.000 0.192 520 N C 1.066 176.486 175.510 -0.150 0.000 1.141 520 N CA 1.014 54.000 53.050 -0.106 0.000 0.851 520 N CB 0.512 38.938 38.487 -0.102 0.000 0.976 520 N HN 0.654 nan 8.380 nan 0.000 0.465 521 G N -0.654 108.051 108.800 -0.158 0.000 2.179 521 G HA2 -0.187 3.775 3.960 0.003 0.000 0.220 521 G HA3 -0.187 3.775 3.960 0.003 0.000 0.220 521 G C 0.442 175.216 174.900 -0.210 0.000 0.990 521 G CA -0.143 44.868 45.100 -0.148 0.000 0.646 521 G HN 0.569 nan 8.290 nan 0.000 0.517 522 G N -0.171 108.386 108.800 -0.406 0.000 2.504 522 G HA2 0.567 4.529 3.960 0.003 0.000 0.288 522 G HA3 0.567 4.529 3.960 0.003 0.000 0.288 522 G C -0.138 174.709 174.900 -0.088 0.000 1.182 522 G CA -0.486 44.304 45.100 -0.516 0.000 0.894 522 G HN 0.367 nan 8.290 nan 0.000 0.521 523 K N -0.114 120.383 120.400 0.162 0.000 2.159 523 K HA 0.201 4.523 4.320 0.003 0.000 0.266 523 K C 1.389 178.209 176.600 0.366 0.000 0.975 523 K CA -0.609 55.796 56.287 0.196 0.000 0.865 523 K CB 2.334 34.904 32.500 0.116 0.000 1.087 523 K HN 0.679 nan 8.250 nan 0.000 0.446 524 R N 0.600 121.254 120.500 0.256 0.000 2.120 524 R HA -0.137 4.205 4.340 0.003 0.000 0.234 524 R C 1.452 177.890 176.300 0.230 0.000 1.123 524 R CA 2.018 58.274 56.100 0.260 0.000 0.975 524 R CB -0.389 29.983 30.300 0.120 0.000 0.866 524 R HN 0.560 nan 8.270 nan 0.000 0.446 525 S N 0.587 116.372 115.700 0.141 0.000 2.507 525 S HA -0.091 4.382 4.470 0.003 0.000 0.235 525 S C 0.992 175.633 174.600 0.070 0.000 0.988 525 S CA 0.972 59.223 58.200 0.085 0.000 0.944 525 S CB -0.062 63.160 63.200 0.037 0.000 0.762 525 S HN 0.278 nan 8.310 nan 0.000 0.526 526 D N 0.773 121.233 120.400 0.100 0.000 2.264 526 D HA -0.040 4.602 4.640 0.003 0.000 0.208 526 D C 0.418 176.514 176.300 -0.340 0.000 0.966 526 D CA 0.780 54.727 54.000 -0.088 0.000 0.864 526 D CB -0.225 40.558 40.800 -0.028 0.000 0.933 526 D HN 0.700 nan 8.370 nan 0.000 0.499 527 W N 0.678 121.930 121.300 -0.081 0.000 3.239 527 W HA 0.175 4.837 4.660 0.003 0.000 0.348 527 W C 0.228 176.703 176.519 -0.072 0.000 1.183 527 W CA -0.199 57.080 57.345 -0.110 0.000 1.819 527 W CB 0.004 29.370 29.460 -0.156 0.000 1.091 527 W HN -0.349 nan 8.180 nan 0.000 0.629 528 T N 1.638 116.243 114.554 0.084 0.000 2.728 528 T HA 0.316 4.668 4.350 0.003 0.000 0.296 528 T C -0.018 174.704 174.700 0.038 0.000 0.940 528 T CA -0.169 61.970 62.100 0.065 0.000 1.013 528 T CB 1.307 70.215 68.868 0.067 0.000 0.912 528 T HN -0.424 nan 8.240 nan 0.000 0.484 529 V N 5.961 125.899 119.914 0.041 0.000 2.348 529 V HA 0.244 4.366 4.120 0.003 0.000 0.270 529 V C 0.671 176.835 176.094 0.117 0.000 1.037 529 V CA -0.813 61.528 62.300 0.069 0.000 0.872 529 V CB 0.540 32.413 31.823 0.085 0.000 1.002 529 V HN 0.751 nan 8.190 nan 0.000 0.464 530 K N 3.509 123.988 120.400 0.132 0.000 2.276 530 K HA 0.404 4.726 4.320 0.003 0.000 0.259 530 K C -0.798 175.964 176.600 0.270 0.000 1.001 530 K CA -0.081 56.329 56.287 0.206 0.000 0.927 530 K CB 0.710 33.290 32.500 0.134 0.000 0.969 530 K HN 0.453 nan 8.250 nan 0.000 0.490 531 F N -0.025 119.970 119.950 0.075 0.000 2.577 531 F HA 0.594 5.123 4.527 0.003 0.000 0.318 531 F C -0.880 174.843 175.800 -0.129 0.000 1.065 531 F CA -0.592 57.340 58.000 -0.113 0.000 0.929 531 F CB 1.896 40.699 39.000 -0.329 0.000 1.237 531 F HN 0.585 nan 8.300 nan 0.000 0.468 532 A N 2.879 125.323 122.820 -0.626 0.000 2.587 532 A HA 0.652 4.974 4.320 0.003 0.000 0.293 532 A C -1.513 175.804 177.584 -0.444 0.000 1.087 532 A CA -0.833 50.902 52.037 -0.502 0.000 0.692 532 A CB 1.491 19.971 19.000 -0.866 0.000 1.291 532 A HN 0.741 nan 8.150 nan 0.000 0.407 533 E N 0.997 121.100 120.200 -0.160 0.000 2.248 533 E HA 0.569 4.921 4.350 0.003 0.000 0.272 533 E C -1.119 175.444 176.600 -0.063 0.000 1.008 533 E CA -1.000 55.312 56.400 -0.146 0.000 0.856 533 E CB 1.083 30.732 29.700 -0.086 0.000 1.120 533 E HN 0.421 nan 8.360 nan 0.000 0.397 534 N N 2.075 120.673 118.700 -0.171 0.000 2.443 534 N HA 0.322 5.064 4.740 0.003 0.000 0.269 534 N C -1.027 174.401 175.510 -0.136 0.000 0.985 534 N CA -0.553 52.452 53.050 -0.075 0.000 0.921 534 N CB 1.523 39.946 38.487 -0.107 0.000 1.195 534 N HN 0.388 nan 8.380 nan 0.000 0.492 535 R N 0.088 120.530 120.500 -0.097 0.000 2.740 535 R HA 0.478 4.820 4.340 0.003 0.000 0.282 535 R C 0.346 176.596 176.300 -0.083 0.000 0.969 535 R CA -0.726 55.320 56.100 -0.090 0.000 0.918 535 R CB 1.660 31.922 30.300 -0.064 0.000 1.175 535 R HN 0.639 nan 8.270 nan 0.000 0.464 536 S N 0.622 116.280 115.700 -0.070 0.000 2.641 536 S HA -0.032 4.440 4.470 0.003 0.000 0.261 536 S C 1.135 175.705 174.600 -0.049 0.000 1.257 536 S CA -0.461 57.703 58.200 -0.060 0.000 0.983 536 S CB 1.027 64.200 63.200 -0.046 0.000 0.990 536 S HN 0.696 nan 8.310 nan 0.000 0.572 537 Q N 1.152 120.926 119.800 -0.042 0.000 2.112 537 Q HA -0.192 4.150 4.340 0.003 0.000 0.206 537 Q C 1.144 177.128 176.000 -0.026 0.000 0.987 537 Q CA 2.528 58.310 55.803 -0.035 0.000 0.858 537 Q CB -0.844 27.877 28.738 -0.029 0.000 0.905 537 Q HN 0.960 nan 8.270 nan 0.000 0.420 538 D N -2.234 118.152 120.400 -0.022 0.000 2.336 538 D HA 0.154 4.796 4.640 0.003 0.000 0.229 538 D C 0.959 177.249 176.300 -0.016 0.000 1.061 538 D CA 0.683 54.674 54.000 -0.016 0.000 0.875 538 D CB -0.141 40.652 40.800 -0.011 0.000 0.904 538 D HN 0.419 nan 8.370 nan 0.000 0.525 539 G N -0.718 108.068 108.800 -0.022 0.000 2.176 539 G HA2 -0.278 3.684 3.960 0.003 0.000 0.253 539 G HA3 -0.278 3.684 3.960 0.003 0.000 0.253 539 G C 0.405 175.290 174.900 -0.025 0.000 0.979 539 G CA 0.216 45.303 45.100 -0.021 0.000 0.641 539 G HN 0.434 nan 8.290 nan 0.000 0.530 540 T N 1.463 116.000 114.554 -0.028 0.000 2.888 540 T HA 0.405 4.757 4.350 0.003 0.000 0.301 540 T C 0.443 175.112 174.700 -0.053 0.000 1.001 540 T CA 0.012 62.094 62.100 -0.030 0.000 1.147 540 T CB 1.643 70.497 68.868 -0.023 0.000 0.931 540 T HN 0.640 nan 8.240 nan 0.000 0.541 541 L N 5.072 126.259 121.223 -0.060 0.000 2.433 541 L HA 0.238 4.580 4.340 0.003 0.000 0.275 541 L C 0.589 177.386 176.870 -0.121 0.000 1.128 541 L CA 0.301 55.074 54.840 -0.111 0.000 0.875 541 L CB -0.200 41.794 42.059 -0.108 0.000 1.171 541 L HN 0.697 nan 8.230 nan 0.000 0.463 542 L N 4.905 126.034 121.223 -0.158 0.000 2.408 542 L HA 0.494 4.836 4.340 0.003 0.000 0.215 542 L C 1.162 177.935 176.870 -0.161 0.000 1.081 542 L CA 0.472 55.233 54.840 -0.131 0.000 0.840 542 L CB -0.362 41.617 42.059 -0.134 0.000 1.002 542 L HN 0.890 nan 8.230 nan 0.000 0.468 543 G N -1.640 106.975 108.800 -0.308 0.000 2.398 543 G HA2 0.150 4.112 3.960 0.003 0.000 0.251 543 G HA3 0.150 4.112 3.960 0.003 0.000 0.251 543 G C -2.026 172.465 174.900 -0.682 0.000 1.277 543 G CA -0.702 44.189 45.100 -0.349 0.000 0.927 543 G HN -0.151 nan 8.290 nan 0.000 0.477 544 Y N -0.645 119.602 120.300 -0.088 0.000 2.609 544 Y HA 0.816 5.369 4.550 0.004 0.000 0.342 544 Y C 0.276 175.960 175.900 -0.359 0.000 1.058 544 Y CA -0.755 57.159 58.100 -0.309 0.000 1.055 544 Y CB 2.498 40.737 38.460 -0.369 0.000 1.292 544 Y HN 0.611 nan 8.280 nan 0.000 0.476 545 S N 1.001 116.418 115.700 -0.471 0.000 2.546 545 S HA 0.596 5.068 4.470 0.003 0.000 0.274 545 S C -1.184 173.123 174.600 -0.487 0.000 1.121 545 S CA -0.843 57.164 58.200 -0.321 0.000 0.887 545 S CB 1.202 64.300 63.200 -0.170 0.000 1.094 545 S HN 0.468 nan 8.310 nan 0.000 0.474 546 L N 2.256 123.428 121.223 -0.085 0.000 2.439 546 L HA 0.335 4.677 4.340 0.003 0.000 0.269 546 L C 0.020 176.887 176.870 -0.006 0.000 1.179 546 L CA -0.318 54.582 54.840 0.099 0.000 0.828 546 L CB 0.179 42.380 42.059 0.235 0.000 1.106 546 L HN 0.521 nan 8.230 nan 0.000 0.467 547 L N 4.027 125.257 121.223 0.012 0.000 2.437 547 L HA 0.224 4.566 4.340 0.003 0.000 0.243 547 L C -0.062 176.842 176.870 0.057 0.000 1.346 547 L CA 0.402 55.238 54.840 -0.006 0.000 1.233 547 L CB -0.445 41.611 42.059 -0.005 0.000 1.436 547 L HN 0.634 nan 8.230 nan 0.000 0.416 548 Q N 0.966 120.812 119.800 0.076 0.000 2.443 548 Q HA 0.236 4.578 4.340 0.003 0.000 0.258 548 Q C -1.384 174.677 176.000 0.100 0.000 0.967 548 Q CA -0.596 55.269 55.803 0.103 0.000 0.951 548 Q CB 1.859 30.690 28.738 0.155 0.000 1.459 548 Q HN 0.317 nan 8.270 nan 0.000 0.415 549 E N 1.602 121.850 120.200 0.081 0.000 2.109 549 E HA 0.355 4.707 4.350 0.003 0.000 0.278 549 E C -1.010 175.620 176.600 0.050 0.000 0.954 549 E CA -0.380 56.044 56.400 0.040 0.000 0.779 549 E CB 1.742 31.473 29.700 0.051 0.000 1.093 549 E HN 0.392 nan 8.360 nan 0.000 0.401 550 S N 1.782 117.490 115.700 0.014 0.000 2.545 550 S HA -0.011 4.461 4.470 0.003 0.000 0.275 550 S C 1.075 175.639 174.600 -0.060 0.000 1.299 550 S CA -0.536 57.691 58.200 0.045 0.000 1.048 550 S CB 1.669 64.996 63.200 0.212 0.000 0.938 550 S HN 0.481 nan 8.310 nan 0.000 0.496 551 V N 3.021 122.902 119.914 -0.055 0.000 2.626 551 V HA -0.136 3.986 4.120 0.003 0.000 0.252 551 V C 1.925 177.857 176.094 -0.269 0.000 1.067 551 V CA 2.291 64.507 62.300 -0.140 0.000 1.081 551 V CB -0.507 31.239 31.823 -0.129 0.000 0.686 551 V HN 0.990 nan 8.190 nan 0.000 0.468 552 D N -0.645 119.606 120.400 -0.248 0.000 2.162 552 D HA -0.248 4.394 4.640 0.003 0.000 0.203 552 D C 2.019 178.006 176.300 -0.522 0.000 0.967 552 D CA 1.458 55.185 54.000 -0.455 0.000 0.840 552 D CB -0.505 40.139 40.800 -0.260 0.000 0.972 552 D HN 0.545 nan 8.370 nan 0.000 0.482 553 Q N 1.528 121.175 119.800 -0.255 0.000 2.061 553 Q HA -0.082 4.260 4.340 0.003 0.000 0.204 553 Q C 2.165 177.961 176.000 -0.340 0.000 0.984 553 Q CA 2.593 58.176 55.803 -0.368 0.000 0.846 553 Q CB -0.706 27.523 28.738 -0.847 0.000 0.902 553 Q HN 0.289 nan 8.270 nan 0.000 0.421 554 A N -0.489 122.156 122.820 -0.292 0.000 1.933 554 A HA -0.140 4.182 4.320 0.003 0.000 0.218 554 A C 2.320 179.788 177.584 -0.194 0.000 1.175 554 A CA 1.758 53.664 52.037 -0.219 0.000 0.628 554 A CB -0.709 18.206 19.000 -0.140 0.000 0.814 554 A HN 0.446 nan 8.150 nan 0.000 0.444 555 S N -1.235 114.285 115.700 -0.300 0.000 2.402 555 S HA 0.035 4.507 4.470 0.003 0.000 0.229 555 S C 0.637 175.127 174.600 -0.184 0.000 1.021 555 S CA 0.449 58.468 58.200 -0.302 0.000 0.974 555 S CB -0.370 62.541 63.200 -0.483 0.000 0.800 555 S HN 0.551 nan 8.310 nan 0.000 0.484 559 S N 0.794 116.523 115.700 0.049 0.000 2.359 559 S HA -0.230 4.242 4.470 0.003 0.000 0.224 559 S C 1.647 176.332 174.600 0.142 0.000 1.035 559 S CA 2.537 60.792 58.200 0.091 0.000 1.018 559 S CB -0.614 62.738 63.200 0.254 0.000 0.876 559 S HN 0.656 nan 8.310 nan 0.000 0.448 560 D N 1.068 121.533 120.400 0.107 0.000 2.092 560 D HA -0.111 4.531 4.640 0.003 0.000 0.193 560 D C 2.046 178.354 176.300 0.013 0.000 0.994 560 D CA 1.534 55.593 54.000 0.098 0.000 0.828 560 D CB -0.482 40.357 40.800 0.065 0.000 0.963 560 D HN 0.423 nan 8.370 nan 0.000 0.450 561 N N -0.915 117.779 118.700 -0.010 0.000 2.120 561 N HA -0.196 4.546 4.740 0.003 0.000 0.188 561 N C 1.771 177.194 175.510 -0.145 0.000 1.024 561 N CA 1.036 54.058 53.050 -0.046 0.000 0.852 561 N CB -0.469 38.053 38.487 0.059 0.000 1.003 561 N HN 0.408 nan 8.380 nan 0.000 0.424 562 H N 0.126 118.963 119.070 -0.388 0.000 2.290 562 H HA -0.116 4.442 4.556 0.003 0.000 0.298 562 H C 1.506 176.628 175.328 -0.343 0.000 1.087 562 H CA 1.848 57.606 56.048 -0.483 0.000 1.291 562 H CB -0.296 28.998 29.762 -0.781 0.000 1.369 562 H HN 0.200 nan 8.280 nan 0.000 0.492 563 Y N -0.170 120.051 120.300 -0.132 0.000 2.314 563 Y HA -0.062 4.490 4.550 0.003 0.000 0.293 563 Y C 2.552 178.343 175.900 -0.182 0.000 1.129 563 Y CA 0.842 58.861 58.100 -0.134 0.000 1.201 563 Y CB -0.288 38.183 38.460 0.017 0.000 0.999 563 Y HN 0.196 nan 8.280 nan 0.000 0.541 564 L N -1.136 120.005 121.223 -0.135 0.000 2.093 564 L HA -0.207 4.135 4.340 0.003 0.000 0.208 564 L C 2.586 179.350 176.870 -0.177 0.000 1.085 564 L CA 1.013 55.665 54.840 -0.314 0.000 0.755 564 L CB -0.655 40.815 42.059 -0.981 0.000 0.904 564 L HN 0.219 nan 8.230 nan 0.000 0.435 565 A N -0.477 122.259 122.820 -0.141 0.000 1.898 565 A HA -0.123 4.199 4.320 0.003 0.000 0.216 565 A C 1.273 178.809 177.584 -0.081 0.000 1.181 565 A CA 0.793 52.826 52.037 -0.006 0.000 0.620 565 A CB -0.315 18.663 19.000 -0.037 0.000 0.819 565 A HN 0.377 nan 8.150 nan 0.000 0.442 569 T N 1.063 115.539 114.554 -0.130 0.000 2.708 569 T HA -0.051 4.301 4.350 0.003 0.000 0.266 569 T C 1.788 176.409 174.700 -0.132 0.000 1.037 569 T CA 1.796 63.831 62.100 -0.107 0.000 1.146 569 T CB -0.426 68.394 68.868 -0.080 0.000 0.865 569 T HN 0.395 nan 8.240 nan 0.000 0.435 570 I N 0.737 121.203 120.570 -0.173 0.000 2.286 570 I HA -0.100 4.072 4.170 0.003 0.000 0.248 570 I C 1.703 177.697 176.117 -0.204 0.000 1.115 570 I CA 1.227 62.411 61.300 -0.194 0.000 1.392 570 I CB -0.267 37.538 38.000 -0.324 0.000 1.065 570 I HN 0.209 nan 8.210 nan 0.000 0.418 571 L N 0.485 121.549 121.223 -0.264 0.000 2.612 571 L HA 0.220 4.562 4.340 0.003 0.000 0.230 571 L C 1.235 177.989 176.870 -0.192 0.000 1.140 571 L CA 0.203 54.885 54.840 -0.263 0.000 0.896 571 L CB -0.427 41.382 42.059 -0.418 0.000 1.065 571 L HN 0.444 nan 8.230 nan 0.000 0.447 572 G N 1.405 110.115 108.800 -0.151 0.000 2.272 572 G HA2 -0.301 3.661 3.960 0.003 0.000 0.280 572 G HA3 -0.301 3.661 3.960 0.003 0.000 0.280 572 G C 0.155 174.994 174.900 -0.101 0.000 1.067 572 G CA 0.084 45.121 45.100 -0.106 0.000 0.902 572 G HN 0.477 nan 8.290 nan 0.000 0.500 573 K N 0.335 120.664 120.400 -0.118 0.000 2.602 573 K HA 0.257 4.579 4.320 0.003 0.000 0.201 573 K C -1.242 175.326 176.600 -0.054 0.000 1.070 573 K CA -1.459 54.776 56.287 -0.086 0.000 1.026 573 K CB 1.990 34.425 32.500 -0.108 0.000 1.534 573 K HN 0.167 nan 8.250 nan 0.000 0.560 574 P HA -0.216 nan 4.420 nan 0.000 0.216 574 P C 0.595 177.877 177.300 -0.030 0.000 1.150 574 P CA 1.388 64.466 63.100 -0.036 0.000 0.837 574 P CB 0.473 32.152 31.700 -0.034 0.000 0.786 575 E N 0.371 120.551 120.200 -0.033 0.000 2.107 575 E HA -0.118 4.234 4.350 0.003 0.000 0.191 575 E C 2.089 178.654 176.600 -0.058 0.000 0.982 575 E CA 0.878 57.254 56.400 -0.041 0.000 0.809 575 E CB -0.417 29.259 29.700 -0.040 0.000 0.756 575 E HN 0.497 nan 8.360 nan 0.000 0.459 576 E N 0.692 120.868 120.200 -0.039 0.000 2.152 576 E HA -0.075 4.277 4.350 0.003 0.000 0.192 576 E C 2.003 178.599 176.600 -0.008 0.000 0.983 576 E CA 0.765 57.133 56.400 -0.055 0.000 0.818 576 E CB -0.013 29.741 29.700 0.090 0.000 0.758 576 E HN 0.161 nan 8.360 nan 0.000 0.467 577 A N 1.909 124.760 122.820 0.052 0.000 1.877 577 A HA -0.224 4.098 4.320 0.003 0.000 0.216 577 A C 1.962 179.566 177.584 0.034 0.000 1.186 577 A CA 1.425 53.512 52.037 0.083 0.000 0.620 577 A CB -0.280 18.730 19.000 0.017 0.000 0.822 577 A HN 0.043 nan 8.150 nan 0.000 0.443 578 K N -0.582 119.809 120.400 -0.015 0.000 2.103 578 K HA -0.141 4.181 4.320 0.003 0.000 0.207 578 K C 2.306 178.877 176.600 -0.049 0.000 1.048 578 K CA 1.466 57.737 56.287 -0.026 0.000 0.930 578 K CB -0.206 32.274 32.500 -0.033 0.000 0.716 578 K HN 0.404 nan 8.250 nan 0.000 0.444 579 R N -0.217 120.210 120.500 -0.122 0.000 2.081 579 R HA -0.127 4.215 4.340 0.003 0.000 0.235 579 R C 2.224 178.415 176.300 -0.182 0.000 1.131 579 R CA 1.477 57.458 56.100 -0.199 0.000 0.960 579 R CB -0.359 29.733 30.300 -0.346 0.000 0.856 579 R HN 0.244 nan 8.270 nan 0.000 0.436 580 Y N 0.548 120.826 120.300 -0.038 0.000 2.293 580 Y HA -0.091 4.461 4.550 0.003 0.000 0.291 580 Y C 2.505 178.378 175.900 -0.045 0.000 1.137 580 Y CA 0.877 58.947 58.100 -0.051 0.000 1.202 580 Y CB -0.374 38.039 38.460 -0.079 0.000 0.990 580 Y HN -0.011 nan 8.280 nan 0.000 0.537 581 R N 0.437 120.995 120.500 0.096 0.000 2.081 581 R HA -0.226 4.116 4.340 0.003 0.000 0.235 581 R C 2.320 178.651 176.300 0.052 0.000 1.131 581 R CA 1.696 57.827 56.100 0.051 0.000 0.960 581 R CB -0.232 30.086 30.300 0.031 0.000 0.856 581 R HN 0.456 nan 8.270 nan 0.000 0.436 582 Q N 0.447 120.267 119.800 0.034 0.000 2.084 582 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 582 Q C 2.113 178.143 176.000 0.050 0.000 0.978 582 Q CA 1.461 57.283 55.803 0.032 0.000 0.844 582 Q CB -0.045 28.695 28.738 0.004 0.000 0.898 582 Q HN 0.415 nan 8.270 nan 0.000 0.426 583 L N 0.227 121.487 121.223 0.061 0.000 2.046 583 L HA -0.149 4.193 4.340 0.003 0.000 0.208 583 L C 2.628 179.554 176.870 0.093 0.000 1.077 583 L CA 0.938 55.828 54.840 0.085 0.000 0.747 583 L CB -0.664 41.485 42.059 0.150 0.000 0.896 583 L HN 0.313 nan 8.230 nan 0.000 0.432 584 A N -0.258 122.606 122.820 0.072 0.000 1.877 584 A HA -0.265 4.057 4.320 0.003 0.000 0.216 584 A C 2.220 179.951 177.584 0.244 0.000 1.186 584 A CA 1.651 53.708 52.037 0.033 0.000 0.620 584 A CB -0.548 18.321 19.000 -0.219 0.000 0.822 584 A HN 0.448 nan 8.150 nan 0.000 0.443 585 Q N -0.603 119.302 119.800 0.175 0.000 2.077 585 Q HA -0.271 4.071 4.340 0.003 0.000 0.206 585 Q C 2.348 178.425 176.000 0.129 0.000 0.989 585 Q CA 1.991 57.891 55.803 0.162 0.000 0.853 585 Q CB -0.258 28.540 28.738 0.099 0.000 0.907 585 Q HN 0.789 nan 8.270 nan 0.000 0.418 586 Q N 0.152 120.015 119.800 0.105 0.000 2.124 586 Q HA -0.133 4.209 4.340 0.003 0.000 0.202 586 Q C 2.170 178.235 176.000 0.109 0.000 0.977 586 Q CA 0.957 56.813 55.803 0.089 0.000 0.850 586 Q CB -0.091 28.682 28.738 0.058 0.000 0.901 586 Q HN 0.388 nan 8.270 nan 0.000 0.429 587 L N 0.200 121.494 121.223 0.118 0.000 2.056 587 L HA -0.173 4.169 4.340 0.003 0.000 0.207 587 L C 2.520 179.454 176.870 0.106 0.000 1.078 587 L CA 0.956 55.861 54.840 0.109 0.000 0.749 587 L CB -0.530 41.607 42.059 0.129 0.000 0.901 587 L HN 0.219 nan 8.230 nan 0.000 0.433 588 A N -0.168 122.707 122.820 0.093 0.000 1.902 588 A HA -0.240 4.082 4.320 0.003 0.000 0.217 588 A C 1.907 179.482 177.584 -0.014 0.000 1.181 588 A CA 2.021 54.005 52.037 -0.088 0.000 0.623 588 A CB -0.540 18.372 19.000 -0.146 0.000 0.818 588 A HN 0.365 nan 8.150 nan 0.000 0.443 589 D N -1.756 118.673 120.400 0.049 0.000 2.144 589 D HA -0.153 4.489 4.640 0.003 0.000 0.199 589 D C 1.663 178.010 176.300 0.077 0.000 0.984 589 D CA 1.447 55.477 54.000 0.051 0.000 0.834 589 D CB -0.437 40.400 40.800 0.062 0.000 0.955 589 D HN 0.629 nan 8.370 nan 0.000 0.465 590 Y N 1.135 121.432 120.300 -0.006 0.000 2.200 590 Y HA -0.119 4.433 4.550 0.004 0.000 0.290 590 Y C 2.258 178.161 175.900 0.005 0.000 1.137 590 Y CA 1.163 59.262 58.100 -0.001 0.000 1.163 590 Y CB -0.185 38.269 38.460 -0.010 0.000 0.988 590 Y HN -0.115 nan 8.280 nan 0.000 0.518 591 I N 0.255 120.921 120.570 0.159 0.000 2.179 591 I HA -0.380 3.792 4.170 0.003 0.000 0.242 591 I C 1.730 177.928 176.117 0.136 0.000 1.088 591 I CA 2.108 63.454 61.300 0.075 0.000 1.357 591 I CB -0.516 37.427 38.000 -0.095 0.000 1.051 591 I HN 0.306 nan 8.210 nan 0.000 0.409 592 N N -0.370 118.385 118.700 0.092 0.000 2.188 592 N HA -0.124 4.618 4.740 0.003 0.000 0.184 592 N C 1.650 177.201 175.510 0.069 0.000 1.018 592 N CA 1.651 54.770 53.050 0.115 0.000 0.858 592 N CB -0.034 38.451 38.487 -0.003 0.000 0.989 592 N HN 0.261 nan 8.380 nan 0.000 0.426 593 T N 0.036 114.587 114.554 -0.004 0.000 2.894 593 T HA 0.075 4.427 4.350 0.003 0.000 0.258 593 T C 1.127 175.773 174.700 -0.090 0.000 1.043 593 T CA 0.500 62.572 62.100 -0.047 0.000 1.141 593 T CB -0.019 68.797 68.868 -0.086 0.000 0.873 593 T HN 0.220 nan 8.240 nan 0.000 0.449 597 D N 8.002 127.911 120.400 -0.819 0.000 2.441 597 D HA 0.511 5.153 4.640 0.003 0.000 0.231 597 D C -2.179 173.643 176.300 -0.797 0.000 1.073 597 D CA -2.312 51.382 54.000 -0.510 0.000 0.850 597 D CB 2.233 42.947 40.800 -0.143 0.000 1.062 597 D HN 0.159 nan 8.370 nan 0.000 0.524 598 P HA -0.146 nan 4.420 nan 0.000 0.216 598 P C 1.223 178.447 177.300 -0.127 0.000 1.153 598 P CA 1.207 64.195 63.100 -0.187 0.000 0.858 598 P CB 0.229 31.951 31.700 0.036 0.000 0.789 599 T N -1.040 113.448 114.554 -0.111 0.000 2.699 599 T HA -0.147 4.205 4.350 0.003 0.000 0.268 599 T C 1.581 176.254 174.700 -0.044 0.000 1.036 599 T CA 2.234 64.297 62.100 -0.062 0.000 1.147 599 T CB -1.145 67.685 68.868 -0.064 0.000 0.862 599 T HN 0.342 nan 8.240 nan 0.000 0.446 600 T N -1.024 113.499 114.554 -0.051 0.000 3.092 600 T HA 0.238 4.590 4.350 0.003 0.000 0.258 600 T C 0.459 175.183 174.700 0.039 0.000 1.031 600 T CA -0.225 61.888 62.100 0.023 0.000 0.925 600 T CB -0.206 68.733 68.868 0.119 0.000 1.036 600 T HN 0.435 nan 8.240 nan 0.000 0.544 601 Q N 0.265 120.021 119.800 -0.073 0.000 2.451 601 Q HA -0.159 4.183 4.340 0.003 0.000 0.305 601 Q C -0.874 175.198 176.000 0.121 0.000 1.345 601 Q CA 0.345 56.148 55.803 -0.001 0.000 0.854 601 Q CB -1.894 26.929 28.738 0.142 0.000 1.162 601 Q HN 0.670 nan 8.270 nan 0.000 0.440 602 F N -1.291 118.407 119.950 -0.420 0.000 2.711 602 F HA 0.526 5.056 4.527 0.003 0.000 0.313 602 F C -1.027 174.454 175.800 -0.530 0.000 1.141 602 F CA -1.114 56.691 58.000 -0.325 0.000 0.941 602 F CB 1.218 40.048 39.000 -0.283 0.000 1.349 602 F HN -0.060 nan 8.300 nan 0.000 0.464 603 Y N 1.421 121.329 120.300 -0.653 0.000 2.419 603 Y HA 0.623 5.175 4.550 0.003 0.000 0.328 603 Y C -1.012 174.528 175.900 -0.600 0.000 1.162 603 Y CA -0.440 57.410 58.100 -0.416 0.000 1.174 603 Y CB 1.327 39.576 38.460 -0.352 0.000 1.228 603 Y HN 0.375 nan 8.280 nan 0.000 0.473 604 Y N -0.665 119.713 120.300 0.130 0.000 2.625 604 Y HA 0.283 4.835 4.550 0.003 0.000 0.338 604 Y C -0.587 175.327 175.900 0.024 0.000 1.123 604 Y CA -1.602 56.537 58.100 0.065 0.000 1.046 604 Y CB 1.075 39.557 38.460 0.037 0.000 1.299 604 Y HN 0.456 nan 8.280 nan 0.000 0.464 605 D N 0.769 121.269 120.400 0.167 0.000 2.360 605 D HA 0.419 5.061 4.640 0.003 0.000 0.242 605 D C -0.720 175.634 176.300 0.089 0.000 1.184 605 D CA 0.128 54.181 54.000 0.088 0.000 0.930 605 D CB 1.065 41.891 40.800 0.043 0.000 1.161 605 D HN 0.383 nan 8.370 nan 0.000 0.447 606 V N -1.818 118.142 119.914 0.077 0.000 2.823 606 V HA 0.618 4.740 4.120 0.003 0.000 0.312 606 V C -0.109 176.016 176.094 0.052 0.000 1.072 606 V CA -1.102 61.230 62.300 0.054 0.000 0.937 606 V CB 1.905 33.767 31.823 0.065 0.000 1.013 606 V HN 0.341 nan 8.190 nan 0.000 0.430 607 R N 2.089 122.605 120.500 0.026 0.000 2.560 607 R HA 0.549 4.891 4.340 0.003 0.000 0.270 607 R C -1.024 175.305 176.300 0.048 0.000 1.074 607 R CA -0.700 55.419 56.100 0.032 0.000 1.140 607 R CB 1.074 31.378 30.300 0.006 0.000 1.073 607 R HN 0.637 nan 8.270 nan 0.000 0.527 608 I N 2.553 123.155 120.570 0.054 0.000 2.256 608 I HA 0.071 4.243 4.170 0.003 0.000 0.294 608 I C 0.441 176.588 176.117 0.050 0.000 1.127 608 I CA 0.175 61.513 61.300 0.063 0.000 1.247 608 I CB 0.227 38.271 38.000 0.074 0.000 1.460 608 I HN 0.423 nan 8.210 nan 0.000 0.511 609 E N 3.900 124.124 120.200 0.039 0.000 2.410 609 E HA 0.009 4.361 4.350 0.003 0.000 0.255 609 E C 0.548 177.167 176.600 0.032 0.000 1.194 609 E CA -0.390 56.026 56.400 0.026 0.000 0.955 609 E CB 0.706 30.414 29.700 0.014 0.000 0.988 609 E HN 0.419 nan 8.360 nan 0.000 0.461 610 D N 0.793 121.208 120.400 0.024 0.000 2.190 610 D HA -0.147 4.495 4.640 0.003 0.000 0.200 610 D C 0.241 176.557 176.300 0.025 0.000 0.992 610 D CA 1.619 55.635 54.000 0.026 0.000 0.854 610 D CB 0.031 40.841 40.800 0.017 0.000 0.936 610 D HN 0.339 nan 8.370 nan 0.000 0.462 611 K N -0.116 120.296 120.400 0.020 0.000 2.502 611 K HA 0.498 4.820 4.320 0.003 0.000 0.257 611 K C -3.024 173.588 176.600 0.019 0.000 0.938 611 K CA -1.685 54.613 56.287 0.017 0.000 0.819 611 K CB 2.688 35.195 32.500 0.010 0.000 1.333 611 K HN -0.274 nan 8.250 nan 0.000 0.434 612 P HA 0.077 nan 4.420 nan 0.000 0.272 612 P C -0.209 177.098 177.300 0.013 0.000 1.240 612 P CA -0.464 62.652 63.100 0.026 0.000 0.791 612 P CB 0.679 32.400 31.700 0.036 0.000 0.978 613 L N 0.509 121.736 121.223 0.006 0.000 2.476 613 L HA 0.178 4.520 4.340 0.003 0.000 0.255 613 L C 2.171 179.038 176.870 -0.005 0.000 1.218 613 L CA -0.412 54.423 54.840 -0.007 0.000 0.819 613 L CB -0.223 41.823 42.059 -0.021 0.000 1.119 613 L HN 0.415 nan 8.230 nan 0.000 0.485 614 A N 1.371 124.186 122.820 -0.009 0.000 1.940 614 A HA -0.204 4.118 4.320 0.003 0.000 0.219 614 A C 1.637 179.217 177.584 -0.006 0.000 1.176 614 A CA 1.982 54.015 52.037 -0.007 0.000 0.631 614 A CB -0.847 18.148 19.000 -0.009 0.000 0.814 614 A HN 0.942 nan 8.150 nan 0.000 0.446 615 N N -1.167 117.524 118.700 -0.014 0.000 2.461 615 N HA 0.242 4.984 4.740 0.003 0.000 0.188 615 N C 1.017 176.522 175.510 -0.009 0.000 1.134 615 N CA 1.322 54.362 53.050 -0.016 0.000 0.878 615 N CB -0.298 38.170 38.487 -0.032 0.000 0.972 615 N HN 0.815 nan 8.380 nan 0.000 0.456 616 G N -1.089 107.714 108.800 0.004 0.000 2.213 616 G HA2 -0.286 3.676 3.960 0.003 0.000 0.236 616 G HA3 -0.286 3.676 3.960 0.003 0.000 0.236 616 G C 0.084 175.020 174.900 0.060 0.000 0.991 616 G CA 0.035 45.157 45.100 0.036 0.000 0.629 616 G HN 0.500 nan 8.290 nan 0.000 0.517 617 c N 1.610 120.200 118.600 -0.017 0.000 2.657 617 c HA 0.525 5.097 4.570 0.003 0.000 0.420 617 c C 2.433 176.554 174.090 0.052 0.000 1.323 617 c CA 0.564 56.855 56.329 -0.064 0.000 1.894 617 c CB 0.580 42.977 42.510 -0.189 0.000 2.681 617 c HN 0.977 nan 8.230 nan 0.000 0.613 618 A N 2.583 125.500 122.820 0.161 0.000 2.019 618 A HA 0.380 4.702 4.320 0.003 0.000 0.219 618 A C 1.122 178.746 177.584 0.067 0.000 1.164 618 A CA 1.578 53.693 52.037 0.130 0.000 0.644 618 A CB -0.407 18.697 19.000 0.174 0.000 0.805 618 A HN 1.412 nan 8.150 nan 0.000 0.449 619 G N -1.754 107.069 108.800 0.038 0.000 2.441 619 G HA2 0.445 4.407 3.960 0.003 0.000 0.294 619 G HA3 0.445 4.407 3.960 0.003 0.000 0.294 619 G C -1.310 173.580 174.900 -0.017 0.000 1.393 619 G CA -0.918 44.187 45.100 0.010 0.000 0.796 619 G HN 0.157 nan 8.290 nan 0.000 0.494 620 K N 1.270 121.651 120.400 -0.032 0.000 2.154 620 K HA 0.403 4.725 4.320 0.003 0.000 0.264 620 K C -2.167 174.399 176.600 -0.057 0.000 1.008 620 K CA -1.309 54.946 56.287 -0.053 0.000 0.937 620 K CB 1.209 33.669 32.500 -0.066 0.000 1.002 620 K HN 0.286 nan 8.250 nan 0.000 0.469 621 P HA 0.013 nan 4.420 nan 0.000 0.268 621 P C -0.272 176.927 177.300 -0.167 0.000 1.205 621 P CA 0.280 63.348 63.100 -0.054 0.000 0.771 621 P CB 0.347 32.037 31.700 -0.017 0.000 0.858 622 I N 3.336 123.821 120.570 -0.141 0.000 2.330 622 I HA -0.048 4.124 4.170 0.003 0.000 0.280 622 I C 1.987 177.870 176.117 -0.391 0.000 1.069 622 I CA -0.232 60.937 61.300 -0.220 0.000 1.873 622 I CB -0.324 37.581 38.000 -0.159 0.000 1.476 622 I HN 0.177 nan 8.210 nan 0.000 0.813 623 V N 0.903 120.449 119.914 -0.613 0.000 2.594 623 V HA -0.217 3.905 4.120 0.003 0.000 0.253 623 V C 2.266 178.127 176.094 -0.389 0.000 1.069 623 V CA 1.705 63.477 62.300 -0.880 0.000 1.082 623 V CB -0.639 30.750 31.823 -0.724 0.000 0.680 623 V HN 0.768 nan 8.190 nan 0.000 0.469 624 E N 1.631 121.673 120.200 -0.263 0.000 2.268 624 E HA -0.246 4.106 4.350 0.003 0.000 0.195 624 E C 1.989 178.491 176.600 -0.163 0.000 0.995 624 E CA 1.277 57.608 56.400 -0.114 0.000 0.836 624 E CB -0.474 29.196 29.700 -0.050 0.000 0.763 624 E HN 0.665 nan 8.360 nan 0.000 0.491 625 R N 0.878 121.162 120.500 -0.359 0.000 2.310 625 R HA 0.179 4.521 4.340 0.003 0.000 0.202 625 R C 0.693 177.021 176.300 0.048 0.000 0.933 625 R CA 0.454 56.266 56.100 -0.479 0.000 1.054 625 R CB 0.253 30.123 30.300 -0.717 0.000 0.985 625 R HN 0.307 nan 8.270 nan 0.000 0.489 626 G N 1.590 110.454 108.800 0.107 0.000 2.756 626 G HA2 -0.262 3.700 3.960 0.003 0.000 0.678 626 G HA3 -0.262 3.700 3.960 0.003 0.000 0.678 626 G C -1.041 174.059 174.900 0.334 0.000 1.349 626 G CA -0.870 44.361 45.100 0.217 0.000 0.847 626 G HN 0.162 nan 8.290 nan 0.000 0.548 627 K N 0.077 120.627 120.400 0.250 0.000 2.144 627 K HA 0.646 4.968 4.320 0.003 0.000 0.270 627 K C 0.687 177.517 176.600 0.383 0.000 1.005 627 K CA 0.137 56.563 56.287 0.231 0.000 0.932 627 K CB 1.617 34.002 32.500 -0.192 0.000 1.021 627 K HN 1.080 nan 8.250 nan 0.000 0.462 628 G N 0.922 109.993 108.800 0.452 0.000 2.766 628 G HA2 0.291 4.253 3.960 0.003 0.000 0.288 628 G HA3 0.291 4.253 3.960 0.003 0.000 0.288 628 G C -2.331 172.537 174.900 -0.052 0.000 1.408 628 G CA -1.068 44.236 45.100 0.340 0.000 0.852 628 G HN 0.289 nan 8.290 nan 0.000 0.487 629 P HA -0.121 nan 4.420 nan 0.000 0.221 629 P C 1.355 177.926 177.300 -1.214 0.000 1.145 629 P CA 1.258 63.505 63.100 -1.422 0.000 0.795 629 P CB 0.204 31.566 31.700 -0.564 0.000 0.775 630 E N 0.598 120.479 120.200 -0.532 0.000 2.265 630 E HA -0.137 4.215 4.350 0.003 0.000 0.196 630 E C 2.135 178.441 176.600 -0.490 0.000 0.996 630 E CA 1.598 57.754 56.400 -0.407 0.000 0.832 630 E CB -1.748 27.828 29.700 -0.206 0.000 0.756 630 E HN 0.224 nan 8.360 nan 0.000 0.491 631 G N 1.245 109.732 108.800 -0.521 0.000 2.479 631 G HA2 -0.226 3.736 3.960 0.003 0.000 0.220 631 G HA3 -0.226 3.736 3.960 0.003 0.000 0.220 631 G C 1.038 175.543 174.900 -0.657 0.000 1.115 631 G CA 0.782 45.410 45.100 -0.786 0.000 0.757 631 G HN 0.600 nan 8.290 nan 0.000 0.560 632 W N -0.804 120.247 121.300 -0.415 0.000 3.132 632 W HA 0.584 5.246 4.660 0.004 0.000 0.364 632 W C 1.698 178.065 176.519 -0.254 0.000 1.129 632 W CA -0.308 56.844 57.345 -0.321 0.000 1.815 632 W CB -0.296 29.029 29.460 -0.226 0.000 1.099 632 W HN -0.002 nan 8.180 nan 0.000 0.605 633 S N 2.028 117.562 115.700 -0.277 0.000 2.382 633 S HA -0.074 4.398 4.470 0.003 0.000 0.228 633 S C -0.463 173.953 174.600 -0.308 0.000 1.027 633 S CA 1.637 59.672 58.200 -0.275 0.000 0.991 633 S CB -0.979 61.935 63.200 -0.477 0.000 0.823 633 S HN 0.070 nan 8.310 nan 0.000 0.469 634 P HA 0.010 nan 4.420 nan 0.000 0.220 634 P C 1.031 178.115 177.300 -0.358 0.000 1.148 634 P CA 0.689 63.438 63.100 -0.585 0.000 0.803 634 P CB 0.044 31.061 31.700 -1.139 0.000 0.782 635 L N -2.255 118.833 121.223 -0.224 0.000 2.068 635 L HA -0.033 4.309 4.340 0.003 0.000 0.204 635 L C 2.233 179.187 176.870 0.140 0.000 1.076 635 L CA 1.521 56.321 54.840 -0.066 0.000 0.753 635 L CB -1.634 40.373 42.059 -0.087 0.000 0.910 635 L HN -0.085 nan 8.230 nan 0.000 0.439 636 F N 0.871 120.813 119.950 -0.013 0.000 2.126 636 F HA -0.227 4.302 4.527 0.003 0.000 0.299 636 F C 2.188 177.968 175.800 -0.033 0.000 1.096 636 F CA 1.649 59.635 58.000 -0.023 0.000 1.255 636 F CB -0.397 38.559 39.000 -0.074 0.000 0.997 636 F HN 0.184 nan 8.300 nan 0.000 0.479 637 N N 0.223 118.706 118.700 -0.362 0.000 2.467 637 N HA 0.077 4.819 4.740 0.003 0.000 0.184 637 N C 1.436 176.824 175.510 -0.203 0.000 1.106 637 N CA 1.005 53.831 53.050 -0.374 0.000 0.892 637 N CB -0.082 38.287 38.487 -0.198 0.000 0.969 637 N HN 0.482 nan 8.380 nan 0.000 0.454 638 G N 0.505 109.207 108.800 -0.163 0.000 2.147 638 G HA2 -0.304 3.658 3.960 0.003 0.000 0.244 638 G HA3 -0.304 3.658 3.960 0.003 0.000 0.244 638 G C 0.872 175.556 174.900 -0.360 0.000 1.005 638 G CA 0.455 45.485 45.100 -0.117 0.000 0.713 638 G HN 0.503 nan 8.290 nan 0.000 0.515 639 A N -0.860 121.589 122.820 -0.618 0.000 2.095 639 A HA 0.769 5.091 4.320 0.003 0.000 0.212 639 A C 1.763 179.080 177.584 -0.446 0.000 1.162 639 A CA 1.685 53.153 52.037 -0.949 0.000 0.753 639 A CB -0.041 18.353 19.000 -1.010 0.000 0.840 639 A HN 2.097 nan 8.150 nan 0.000 0.468 640 A N 0.619 123.264 122.820 -0.292 0.000 2.386 640 A HA 0.495 4.817 4.320 0.003 0.000 0.248 640 A C 0.870 178.405 177.584 -0.082 0.000 1.082 640 A CA 0.423 52.329 52.037 -0.219 0.000 0.789 640 A CB -0.300 18.466 19.000 -0.391 0.000 1.025 640 A HN 0.686 nan 8.150 nan 0.000 0.490 641 T N -0.531 113.957 114.554 -0.110 0.000 2.882 641 T HA 0.310 4.662 4.350 0.003 0.000 0.287 641 T C 0.898 175.579 174.700 -0.032 0.000 1.014 641 T CA 0.079 62.152 62.100 -0.045 0.000 1.049 641 T CB 1.025 69.828 68.868 -0.108 0.000 1.001 641 T HN 0.629 nan 8.240 nan 0.000 0.525 642 Q N 1.311 121.163 119.800 0.087 0.000 2.096 642 Q HA -0.050 4.292 4.340 0.003 0.000 0.204 642 Q C 2.355 178.357 176.000 0.003 0.000 0.982 642 Q CA 2.299 58.187 55.803 0.143 0.000 0.850 642 Q CB -1.086 27.730 28.738 0.130 0.000 0.901 642 Q HN 0.928 nan 8.270 nan 0.000 0.422 643 A N 0.375 123.158 122.820 -0.063 0.000 1.902 643 A HA -0.210 4.112 4.320 0.003 0.000 0.217 643 A C 1.898 179.351 177.584 -0.218 0.000 1.181 643 A CA 1.756 53.732 52.037 -0.102 0.000 0.623 643 A CB -0.739 18.196 19.000 -0.109 0.000 0.818 643 A HN 0.491 nan 8.150 nan 0.000 0.443 644 N N 0.376 118.831 118.700 -0.408 0.000 2.188 644 N HA -0.039 4.703 4.740 0.003 0.000 0.184 644 N C 1.829 177.115 175.510 -0.374 0.000 1.018 644 N CA 1.441 54.049 53.050 -0.736 0.000 0.858 644 N CB -0.582 37.257 38.487 -1.079 0.000 0.989 644 N HN 0.468 nan 8.380 nan 0.000 0.426 645 A N 1.382 124.003 122.820 -0.332 0.000 1.877 645 A HA -0.146 4.176 4.320 0.003 0.000 0.216 645 A C 1.761 179.259 177.584 -0.143 0.000 1.186 645 A CA 1.569 53.387 52.037 -0.364 0.000 0.620 645 A CB -0.487 18.035 19.000 -0.796 0.000 0.822 645 A HN 0.119 nan 8.150 nan 0.000 0.443 646 D N 0.229 120.615 120.400 -0.022 0.000 2.133 646 D HA -0.126 4.516 4.640 0.003 0.000 0.195 646 D C 2.211 178.516 176.300 0.008 0.000 0.997 646 D CA 1.610 55.654 54.000 0.072 0.000 0.840 646 D CB -0.433 40.445 40.800 0.130 0.000 0.947 646 D HN 0.446 nan 8.370 nan 0.000 0.452 647 A N 0.670 123.503 122.820 0.021 0.000 1.873 647 A HA -0.124 4.198 4.320 0.003 0.000 0.215 647 A C 2.592 180.255 177.584 0.131 0.000 1.186 647 A CA 1.228 53.328 52.037 0.106 0.000 0.616 647 A CB -0.784 18.357 19.000 0.235 0.000 0.823 647 A HN 0.141 nan 8.150 nan 0.000 0.442 648 V N -0.174 119.806 119.914 0.110 0.000 2.332 648 V HA -0.240 3.882 4.120 0.003 0.000 0.248 648 V C 2.573 178.727 176.094 0.101 0.000 1.055 648 V CA 2.014 64.410 62.300 0.160 0.000 1.038 648 V CB -0.781 31.058 31.823 0.026 0.000 0.651 648 V HN 0.372 nan 8.190 nan 0.000 0.450 649 V N -0.297 119.557 119.914 -0.101 0.000 2.407 649 V HA -0.285 3.837 4.120 0.003 0.000 0.248 649 V C 2.420 178.424 176.094 -0.149 0.000 1.055 649 V CA 1.940 64.082 62.300 -0.263 0.000 1.049 649 V CB -0.764 30.616 31.823 -0.738 0.000 0.662 649 V HN 0.558 nan 8.190 nan 0.000 0.455 650 K N -0.335 120.028 120.400 -0.061 0.000 2.097 650 K HA -0.074 4.248 4.320 0.003 0.000 0.206 650 K C 1.047 177.686 176.600 0.064 0.000 1.049 650 K CA 0.735 57.024 56.287 0.004 0.000 0.933 650 K CB -0.233 32.290 32.500 0.039 0.000 0.717 650 K HN 0.330 nan 8.250 nan 0.000 0.442 654 D N 2.625 123.074 120.400 0.082 0.000 2.317 654 D HA 0.188 4.830 4.640 0.003 0.000 0.252 654 D C -1.736 174.600 176.300 0.060 0.000 1.174 654 D CA -1.587 52.449 54.000 0.060 0.000 0.866 654 D CB 1.995 42.822 40.800 0.046 0.000 1.127 654 D HN -0.083 nan 8.370 nan 0.000 0.467 655 P HA -0.054 nan 4.420 nan 0.000 0.225 655 P C 0.450 177.753 177.300 0.004 0.000 1.148 655 P CA 1.039 64.169 63.100 0.049 0.000 0.779 655 P CB 0.280 32.011 31.700 0.052 0.000 0.780 656 K N -1.163 119.223 120.400 -0.024 0.000 2.404 656 K HA 0.066 4.388 4.320 0.003 0.000 0.194 656 K C 1.181 177.693 176.600 -0.147 0.000 1.023 656 K CA 0.454 56.696 56.287 -0.075 0.000 1.094 656 K CB 0.324 32.789 32.500 -0.058 0.000 0.841 656 K HN 0.167 nan 8.250 nan 0.000 0.523 657 E N -0.618 119.497 120.200 -0.141 0.000 2.949 657 E HA 0.145 4.497 4.350 0.003 0.000 0.182 657 E C 0.883 177.226 176.600 -0.429 0.000 1.154 657 E CA 0.584 56.797 56.400 -0.313 0.000 1.205 657 E CB 0.057 29.646 29.700 -0.184 0.000 1.865 657 E HN 0.092 nan 8.360 nan 0.000 0.516 658 F N 0.530 120.518 119.950 0.064 0.000 2.784 658 F HA 0.254 4.783 4.527 0.003 0.000 0.323 658 F C 1.031 176.908 175.800 0.128 0.000 1.085 658 F CA -0.361 57.728 58.000 0.147 0.000 1.196 658 F CB 0.492 39.631 39.000 0.233 0.000 1.053 658 F HN -0.095 nan 8.300 nan 0.000 0.578 659 N N 1.752 120.594 118.700 0.236 0.000 3.178 659 N HA 0.041 4.783 4.740 0.003 0.000 0.300 659 N C 0.044 175.655 175.510 0.169 0.000 1.242 659 N CA 0.175 53.334 53.050 0.181 0.000 1.192 659 N CB -0.281 38.280 38.487 0.124 0.000 1.463 659 N HN 0.191 nan 8.380 nan 0.000 0.539 660 T N -2.395 112.283 114.554 0.207 0.000 2.849 660 T HA 0.167 4.519 4.350 0.003 0.000 0.276 660 T C 1.425 176.284 174.700 0.265 0.000 0.971 660 T CA -0.691 61.537 62.100 0.213 0.000 0.949 660 T CB 0.339 69.339 68.868 0.221 0.000 1.093 660 T HN 0.121 nan 8.240 nan 0.000 0.545 661 F N 1.130 121.144 119.950 0.107 0.000 2.063 661 F HA -0.057 4.472 4.527 0.003 0.000 0.298 661 F C 0.788 176.703 175.800 0.191 0.000 1.105 661 F CA 1.451 59.508 58.000 0.095 0.000 1.215 661 F CB -0.334 38.635 39.000 -0.052 0.000 0.972 661 F HN 0.274 nan 8.300 nan 0.000 0.483 662 V N 2.487 122.484 119.914 0.138 0.000 2.350 662 V HA 0.303 4.425 4.120 0.003 0.000 0.285 662 V C -2.233 173.965 176.094 0.173 0.000 1.014 662 V CA -1.864 60.431 62.300 -0.008 0.000 0.831 662 V CB 1.134 32.902 31.823 -0.093 0.000 1.000 662 V HN -0.054 nan 8.190 nan 0.000 0.433 663 P HA 0.356 nan 4.420 nan 0.000 0.274 663 P C 0.055 177.639 177.300 0.473 0.000 1.237 663 P CA -0.251 63.054 63.100 0.342 0.000 0.793 663 P CB 0.373 32.273 31.700 0.333 0.000 0.977 664 L N -1.836 119.664 121.223 0.462 0.000 3.533 664 L HA -0.185 4.157 4.340 0.003 0.000 0.477 664 L C 0.848 178.171 176.870 0.755 0.000 1.306 664 L CA 0.134 55.278 54.840 0.507 0.000 0.850 664 L CB -2.389 39.755 42.059 0.142 0.000 1.654 664 L HN 0.579 nan 8.230 nan 0.000 0.863 665 G N -0.406 108.860 108.800 0.778 0.000 2.621 665 G HA2 0.286 4.248 3.960 0.003 0.000 0.271 665 G HA3 0.286 4.248 3.960 0.003 0.000 0.271 665 G C 0.953 176.303 174.900 0.750 0.000 1.236 665 G CA 0.369 45.886 45.100 0.695 0.000 0.958 665 G HN 0.343 nan 8.290 nan 0.000 0.512 666 T N -1.493 113.434 114.554 0.621 0.000 3.163 666 T HA 0.414 4.766 4.350 0.003 0.000 0.260 666 T C 0.533 175.553 174.700 0.532 0.000 1.156 666 T CA 1.217 63.654 62.100 0.561 0.000 1.072 666 T CB -0.693 68.516 68.868 0.570 0.000 0.937 666 T HN 1.253 nan 8.240 nan 0.000 0.528 667 A N 0.057 123.241 122.820 0.606 0.000 2.555 667 A HA 0.747 5.069 4.320 0.003 0.000 0.297 667 A C -0.218 177.569 177.584 0.338 0.000 1.060 667 A CA -0.433 51.913 52.037 0.515 0.000 0.710 667 A CB 0.649 19.937 19.000 0.479 0.000 1.282 667 A HN 0.502 nan 8.150 nan 0.000 0.399 668 A N 1.228 123.972 122.820 -0.127 0.000 2.425 668 A HA 0.507 4.829 4.320 0.003 0.000 0.242 668 A C 1.129 178.430 177.584 -0.473 0.000 1.077 668 A CA -0.075 51.480 52.037 -0.805 0.000 0.781 668 A CB -0.159 18.250 19.000 -0.985 0.000 1.020 668 A HN 1.235 nan 8.150 nan 0.000 0.494 669 L N 1.071 121.894 121.223 -0.667 0.000 2.187 669 L HA -0.179 4.163 4.340 0.003 0.000 0.213 669 L C 2.564 179.124 176.870 -0.517 0.000 1.100 669 L CA 1.893 56.187 54.840 -0.910 0.000 0.765 669 L CB -0.714 40.973 42.059 -0.619 0.000 0.904 669 L HN 0.996 nan 8.230 nan 0.000 0.437 670 T N -4.310 110.053 114.554 -0.318 0.000 3.100 670 T HA -0.034 4.318 4.350 0.003 0.000 0.253 670 T C 1.009 175.697 174.700 -0.019 0.000 1.118 670 T CA -0.294 61.719 62.100 -0.145 0.000 1.058 670 T CB -0.381 68.409 68.868 -0.131 0.000 0.953 670 T HN 0.151 nan 8.240 nan 0.000 0.515 671 N N 3.296 122.007 118.700 0.018 0.000 2.454 671 N HA 0.043 4.785 4.740 0.003 0.000 0.260 671 N C -1.375 174.274 175.510 0.232 0.000 1.218 671 N CA -1.298 51.855 53.050 0.172 0.000 0.904 671 N CB 1.546 40.181 38.487 0.247 0.000 1.065 671 N HN 0.112 nan 8.380 nan 0.000 0.462 672 P HA -0.075 nan 4.420 nan 0.000 0.225 672 P C 0.177 177.559 177.300 0.137 0.000 1.148 672 P CA 0.910 64.159 63.100 0.248 0.000 0.779 672 P CB 0.252 32.193 31.700 0.402 0.000 0.780 673 A N -1.319 121.597 122.820 0.160 0.000 2.465 673 A HA 0.236 4.558 4.320 0.003 0.000 0.255 673 A C 0.382 178.056 177.584 0.150 0.000 1.274 673 A CA -0.670 51.401 52.037 0.056 0.000 0.920 673 A CB -1.043 17.962 19.000 0.008 0.000 1.033 673 A HN 0.103 nan 8.150 nan 0.000 0.516 674 F N 1.066 121.067 119.950 0.085 0.000 2.602 674 F HA 0.418 4.947 4.527 0.003 0.000 0.367 674 F C 0.621 176.467 175.800 0.076 0.000 1.126 674 F CA 0.781 58.835 58.000 0.091 0.000 1.321 674 F CB 0.607 39.646 39.000 0.066 0.000 1.094 674 F HN 0.116 nan 8.300 nan 0.000 0.594 675 G N 4.337 112.508 108.800 -1.049 0.000 2.668 675 G HA2 0.496 4.458 3.960 0.003 0.000 0.284 675 G HA3 0.496 4.458 3.960 0.003 0.000 0.284 675 G C -0.014 174.322 174.900 -0.941 0.000 1.456 675 G CA -0.218 44.433 45.100 -0.748 0.000 1.214 675 G HN 1.073 nan 8.290 nan 0.000 0.568 676 A N 1.576 123.934 122.820 -0.769 0.000 2.076 676 A HA -0.003 4.319 4.320 0.003 0.000 0.220 676 A C 1.476 178.976 177.584 -0.139 0.000 1.160 676 A CA 1.802 53.660 52.037 -0.299 0.000 0.653 676 A CB 0.057 19.079 19.000 0.037 0.000 0.801 676 A HN 0.490 nan 8.150 nan 0.000 0.455 677 D N -0.960 119.360 120.400 -0.133 0.000 2.395 677 D HA 0.232 4.874 4.640 0.003 0.000 0.213 677 D C -0.051 176.248 176.300 -0.001 0.000 1.110 677 D CA -0.038 53.931 54.000 -0.052 0.000 0.835 677 D CB 0.263 41.041 40.800 -0.036 0.000 0.965 677 D HN 0.409 nan 8.370 nan 0.000 0.505 678 I N 1.607 122.156 120.570 -0.036 0.000 2.396 678 I HA -0.020 4.152 4.170 0.003 0.000 0.289 678 I C 1.439 177.653 176.117 0.160 0.000 1.056 678 I CA -0.624 60.712 61.300 0.060 0.000 1.365 678 I CB 0.799 38.808 38.000 0.015 0.000 1.407 678 I HN -0.147 nan 8.210 nan 0.000 0.509 679 Y N 5.150 125.429 120.300 -0.035 0.000 2.062 679 Y HA -0.247 4.305 4.550 0.003 0.000 0.276 679 Y C 1.407 177.215 175.900 -0.153 0.000 1.189 679 Y CA 2.056 60.090 58.100 -0.109 0.000 1.130 679 Y CB -0.312 38.070 38.460 -0.131 0.000 0.959 679 Y HN 0.598 nan 8.280 nan 0.000 0.499 680 W N -1.041 120.516 121.300 0.428 0.000 2.966 680 W HA 0.331 4.993 4.660 0.004 0.000 0.406 680 W C 0.649 177.321 176.519 0.256 0.000 1.027 680 W CA -0.105 57.423 57.345 0.304 0.000 1.930 680 W CB 0.375 29.951 29.460 0.194 0.000 1.144 680 W HN -0.307 nan 8.180 nan 0.000 0.626 681 R N 0.122 120.832 120.500 0.351 0.000 2.661 681 R HA 0.361 4.703 4.340 0.003 0.000 0.429 681 R C 0.797 177.182 176.300 0.141 0.000 1.044 681 R CA 0.376 56.638 56.100 0.271 0.000 1.065 681 R CB 0.752 31.174 30.300 0.204 0.000 1.377 681 R HN 0.241 nan 8.270 nan 0.000 0.600 682 G N 0.345 109.280 108.800 0.225 0.000 4.018 682 G HA2 -0.128 3.834 3.960 0.003 0.000 0.195 682 G HA3 -0.128 3.834 3.960 0.003 0.000 0.195 682 G C -0.167 174.898 174.900 0.275 0.000 1.019 682 G CA -0.757 44.463 45.100 0.199 0.000 0.871 682 G HN -0.004 nan 8.290 nan 0.000 0.339 683 R N 1.022 121.620 120.500 0.164 0.000 2.698 683 R HA 0.391 4.733 4.340 0.003 0.000 0.266 683 R C 0.053 176.510 176.300 0.261 0.000 1.026 683 R CA 0.015 56.175 56.100 0.100 0.000 1.102 683 R CB 0.621 30.830 30.300 -0.151 0.000 0.978 683 R HN 0.191 nan 8.270 nan 0.000 0.436 684 V N 3.754 123.799 119.914 0.218 0.000 2.407 684 V HA 0.229 4.351 4.120 0.003 0.000 0.278 684 V C -0.340 175.921 176.094 0.278 0.000 1.037 684 V CA -0.551 61.979 62.300 0.383 0.000 0.900 684 V CB 0.766 32.822 31.823 0.387 0.000 0.983 684 V HN 0.562 nan 8.190 nan 0.000 0.459 685 W N 2.733 124.194 121.300 0.268 0.000 2.570 685 W HA 0.548 5.210 4.660 0.004 0.000 0.337 685 W C 0.994 177.723 176.519 0.349 0.000 1.067 685 W CA -0.721 56.786 57.345 0.271 0.000 1.229 685 W CB 1.400 31.060 29.460 0.333 0.000 1.355 685 W HN 0.326 nan 8.180 nan 0.000 0.555 686 V N 1.582 121.822 119.914 0.544 0.000 2.626 686 V HA -0.269 3.853 4.120 0.003 0.000 0.252 686 V C 1.948 178.100 176.094 0.097 0.000 1.067 686 V CA 2.241 64.765 62.300 0.373 0.000 1.081 686 V CB -0.745 31.317 31.823 0.399 0.000 0.686 686 V HN 0.694 nan 8.190 nan 0.000 0.468 687 D N -0.175 120.144 120.400 -0.135 0.000 2.097 687 D HA -0.215 4.427 4.640 0.003 0.000 0.197 687 D C 1.972 177.696 176.300 -0.959 0.000 0.984 687 D CA 1.128 54.370 54.000 -1.264 0.000 0.826 687 D CB -0.487 39.484 40.800 -1.382 0.000 0.973 687 D HN 0.345 nan 8.370 nan 0.000 0.460 688 Q N -0.539 119.188 119.800 -0.122 0.000 2.170 688 Q HA -0.073 4.269 4.340 0.003 0.000 0.203 688 Q C 2.094 178.338 176.000 0.408 0.000 0.976 688 Q CA 0.519 56.505 55.803 0.304 0.000 0.858 688 Q CB -0.609 28.458 28.738 0.548 0.000 0.907 688 Q HN 0.413 nan 8.270 nan 0.000 0.433 689 F N -0.279 119.769 119.950 0.164 0.000 2.075 689 F HA -0.215 4.314 4.527 0.003 0.000 0.297 689 F C 2.107 177.875 175.800 -0.052 0.000 1.113 689 F CA 1.477 59.514 58.000 0.061 0.000 1.218 689 F CB -0.566 38.441 39.000 0.012 0.000 0.984 689 F HN 0.135 nan 8.300 nan 0.000 0.472 690 W N 0.118 121.248 121.300 -0.284 0.000 2.363 690 W HA -0.227 4.435 4.660 0.003 0.000 0.296 690 W C 1.960 178.362 176.519 -0.195 0.000 1.212 690 W CA 1.907 59.074 57.345 -0.296 0.000 1.260 690 W CB -0.643 28.766 29.460 -0.085 0.000 1.131 690 W HN 0.050 nan 8.180 nan 0.000 0.530 691 F N 0.606 120.453 119.950 -0.173 0.000 2.126 691 F HA -0.066 4.463 4.527 0.003 0.000 0.299 691 F C 2.578 178.208 175.800 -0.283 0.000 1.096 691 F CA 1.418 59.111 58.000 -0.512 0.000 1.255 691 F CB -1.589 37.141 39.000 -0.450 0.000 0.997 691 F HN 0.002 nan 8.300 nan 0.000 0.479 692 G N -0.190 108.492 108.800 -0.196 0.000 2.421 692 G HA2 -0.189 3.773 3.960 0.003 0.000 0.216 692 G HA3 -0.189 3.773 3.960 0.003 0.000 0.216 692 G C 1.694 176.205 174.900 -0.648 0.000 1.171 692 G CA 0.608 45.229 45.100 -0.798 0.000 0.775 692 G HN 0.212 nan 8.290 nan 0.000 0.543 693 L N 0.577 121.343 121.223 -0.762 0.000 2.046 693 L HA 0.026 4.368 4.340 0.003 0.000 0.208 693 L C 2.785 179.358 176.870 -0.495 0.000 1.077 693 L CA 1.371 55.708 54.840 -0.839 0.000 0.747 693 L CB -0.340 40.905 42.059 -1.356 0.000 0.896 693 L HN 0.038 nan 8.230 nan 0.000 0.432 694 K N -0.099 120.072 120.400 -0.381 0.000 2.097 694 K HA 0.011 4.333 4.320 0.003 0.000 0.205 694 K C 1.243 177.877 176.600 0.055 0.000 1.050 694 K CA 0.809 57.035 56.287 -0.101 0.000 0.938 694 K CB -0.856 31.488 32.500 -0.261 0.000 0.718 694 K HN 0.375 nan 8.250 nan 0.000 0.442 698 R N 0.068 120.617 120.500 0.082 0.000 2.127 698 R HA -0.089 4.253 4.340 0.003 0.000 0.238 698 R C 0.572 176.720 176.300 -0.254 0.000 1.134 698 R CA 1.593 57.645 56.100 -0.081 0.000 0.975 698 R CB -0.075 30.156 30.300 -0.114 0.000 0.865 698 R HN 0.205 nan 8.270 nan 0.000 0.447 699 Y N -0.709 119.634 120.300 0.071 0.000 2.683 699 Y HA 0.275 4.827 4.550 0.003 0.000 0.297 699 Y C 1.145 177.062 175.900 0.029 0.000 1.147 699 Y CA 0.341 58.493 58.100 0.086 0.000 1.274 699 Y CB 1.059 39.608 38.460 0.147 0.000 1.143 699 Y HN 0.352 nan 8.280 nan 0.000 0.527 700 G N -0.912 107.891 108.800 0.005 0.000 2.175 700 G HA2 -0.341 3.622 3.960 0.003 0.000 0.244 700 G HA3 -0.341 3.622 3.960 0.003 0.000 0.244 700 G C -0.018 174.683 174.900 -0.331 0.000 0.982 700 G CA -0.207 44.776 45.100 -0.194 0.000 0.641 700 G HN 0.465 nan 8.290 nan 0.000 0.527 701 Y N 0.234 120.555 120.300 0.035 0.000 2.833 701 Y HA 0.418 4.970 4.550 0.003 0.000 0.339 701 Y C 1.950 177.853 175.900 0.005 0.000 1.032 701 Y CA 0.078 58.185 58.100 0.013 0.000 1.450 701 Y CB 0.224 38.681 38.460 -0.005 0.000 1.296 701 Y HN 0.274 nan 8.280 nan 0.000 0.535 702 R N 0.506 121.070 120.500 0.106 0.000 2.096 702 R HA -0.171 4.171 4.340 0.003 0.000 0.235 702 R C 1.171 177.536 176.300 0.109 0.000 1.127 702 R CA 2.088 58.267 56.100 0.131 0.000 0.968 702 R CB 0.064 30.434 30.300 0.116 0.000 0.861 702 R HN 0.335 nan 8.270 nan 0.000 0.440 703 D N 0.643 121.091 120.400 0.079 0.000 2.104 703 D HA -0.173 4.469 4.640 0.003 0.000 0.194 703 D C 1.363 177.704 176.300 0.068 0.000 0.994 703 D CA 1.310 55.352 54.000 0.070 0.000 0.830 703 D CB -0.324 40.508 40.800 0.054 0.000 0.959 703 D HN 0.314 nan 8.370 nan 0.000 0.452 704 D N 0.178 120.628 120.400 0.084 0.000 2.183 704 D HA -0.041 4.601 4.640 0.003 0.000 0.203 704 D C 1.964 178.240 176.300 -0.039 0.000 0.969 704 D CA 0.792 54.820 54.000 0.047 0.000 0.842 704 D CB 0.070 40.918 40.800 0.081 0.000 0.957 704 D HN 0.106 nan 8.370 nan 0.000 0.484 705 A N 0.871 123.639 122.820 -0.086 0.000 1.930 705 A HA -0.092 4.230 4.320 0.003 0.000 0.217 705 A C 2.377 179.805 177.584 -0.261 0.000 1.175 705 A CA 0.679 52.522 52.037 -0.323 0.000 0.627 705 A CB -0.665 18.058 19.000 -0.462 0.000 0.815 705 A HN 0.165 nan 8.150 nan 0.000 0.443 706 L N -0.614 120.598 121.223 -0.017 0.000 2.046 706 L HA -0.217 4.125 4.340 0.003 0.000 0.208 706 L C 2.591 179.511 176.870 0.084 0.000 1.077 706 L CA 1.702 56.606 54.840 0.106 0.000 0.747 706 L CB -0.408 41.737 42.059 0.143 0.000 0.896 706 L HN 0.371 nan 8.230 nan 0.000 0.432 707 K N 0.043 120.473 120.400 0.050 0.000 2.026 707 K HA -0.156 4.166 4.320 0.003 0.000 0.208 707 K C 2.084 178.726 176.600 0.070 0.000 1.048 707 K CA 1.173 57.494 56.287 0.056 0.000 0.929 707 K CB -0.229 32.296 32.500 0.042 0.000 0.713 707 K HN 0.252 nan 8.250 nan 0.000 0.439 708 L N 0.533 121.780 121.223 0.041 0.000 2.083 708 L HA -0.168 4.174 4.340 0.003 0.000 0.209 708 L C 2.596 179.649 176.870 0.305 0.000 1.083 708 L CA 0.965 55.875 54.840 0.117 0.000 0.752 708 L CB -0.611 41.451 42.059 0.004 0.000 0.899 708 L HN 0.229 nan 8.230 nan 0.000 0.433 709 A N 0.095 123.059 122.820 0.240 0.000 1.933 709 A HA -0.284 4.038 4.320 0.003 0.000 0.218 709 A C 1.954 179.877 177.584 0.565 0.000 1.175 709 A CA 2.091 54.408 52.037 0.467 0.000 0.628 709 A CB -0.568 18.626 19.000 0.324 0.000 0.814 709 A HN 0.470 nan 8.150 nan 0.000 0.444 710 D N -1.163 119.434 120.400 0.327 0.000 2.117 710 D HA -0.107 4.535 4.640 0.003 0.000 0.198 710 D C 1.887 178.255 176.300 0.114 0.000 0.982 710 D CA 1.928 56.063 54.000 0.224 0.000 0.828 710 D CB -0.179 40.691 40.800 0.116 0.000 0.967 710 D HN 0.315 nan 8.370 nan 0.000 0.464 711 T N -0.493 114.082 114.554 0.034 0.000 2.720 711 T HA -0.151 4.201 4.350 0.003 0.000 0.268 711 T C 1.566 176.101 174.700 -0.274 0.000 1.037 711 T CA 1.171 63.130 62.100 -0.235 0.000 1.144 711 T CB -0.620 68.170 68.868 -0.129 0.000 0.864 711 T HN 0.252 nan 8.240 nan 0.000 0.444 712 F N 0.890 120.773 119.950 -0.112 0.000 2.102 712 F HA -0.068 4.462 4.527 0.003 0.000 0.298 712 F C 1.895 177.596 175.800 -0.165 0.000 1.105 712 F CA 1.078 58.951 58.000 -0.212 0.000 1.239 712 F CB -0.453 38.414 39.000 -0.222 0.000 0.991 712 F HN 0.121 nan 8.300 nan 0.000 0.474 713 F N 1.224 121.203 119.950 0.049 0.000 2.171 713 F HA -0.133 4.396 4.527 0.003 0.000 0.300 713 F C 2.402 178.038 175.800 -0.274 0.000 1.090 713 F CA 1.735 59.633 58.000 -0.170 0.000 1.293 713 F CB -0.339 38.507 39.000 -0.257 0.000 1.013 713 F HN -0.149 nan 8.300 nan 0.000 0.486 714 R N -1.740 118.659 120.500 -0.168 0.000 2.240 714 R HA 0.011 4.353 4.340 0.003 0.000 0.203 714 R C 1.414 177.600 176.300 -0.190 0.000 1.011 714 R CA 1.115 57.102 56.100 -0.188 0.000 1.007 714 R CB -0.283 29.918 30.300 -0.165 0.000 0.911 714 R HN 0.495 nan 8.270 nan 0.000 0.468 715 H N -0.867 117.891 119.070 -0.519 0.000 2.729 715 H HA 0.300 4.858 4.556 0.003 0.000 0.263 715 H C 0.199 175.129 175.328 -0.663 0.000 0.961 715 H CA -0.377 55.228 56.048 -0.739 0.000 1.217 715 H CB 0.743 29.699 29.762 -1.344 0.000 1.447 715 H HN 0.048 nan 8.280 nan 0.000 0.496 716 A N 2.661 125.009 122.820 -0.786 0.000 2.444 716 A HA 0.073 4.395 4.320 0.003 0.000 0.273 716 A C 0.126 177.448 177.584 -0.437 0.000 1.136 716 A CA -0.343 51.112 52.037 -0.970 0.000 0.799 716 A CB 0.053 17.956 19.000 -1.828 0.000 1.081 716 A HN 0.126 nan 8.150 nan 0.000 0.509 717 K N 1.658 121.971 120.400 -0.145 0.000 2.489 717 K HA 0.201 4.523 4.320 0.003 0.000 0.278 717 K C 1.373 177.966 176.600 -0.013 0.000 1.000 717 K CA 1.147 57.415 56.287 -0.032 0.000 1.012 717 K CB 0.230 32.755 32.500 0.041 0.000 0.903 717 K HN 1.557 nan 8.250 nan 0.000 0.485 718 G N 1.654 110.425 108.800 -0.048 0.000 2.189 718 G HA2 -0.314 3.648 3.960 0.003 0.000 0.267 718 G HA3 -0.314 3.648 3.960 0.003 0.000 0.267 718 G C 0.829 175.691 174.900 -0.064 0.000 0.975 718 G CA 0.476 45.554 45.100 -0.038 0.000 0.644 718 G HN 0.532 nan 8.290 nan 0.000 0.537 719 L N 1.521 122.656 121.223 -0.147 0.000 2.043 719 L HA 0.021 4.363 4.340 0.003 0.000 0.212 719 L C 2.910 179.670 176.870 -0.183 0.000 1.075 719 L CA 3.443 58.159 54.840 -0.206 0.000 0.752 719 L CB -0.595 41.172 42.059 -0.487 0.000 0.891 719 L HN 0.723 nan 8.230 nan 0.000 0.432 720 T N -3.402 111.033 114.554 -0.199 0.000 3.163 720 T HA 0.553 4.905 4.350 0.003 0.000 0.252 720 T C 0.640 175.327 174.700 -0.022 0.000 1.056 720 T CA 0.091 62.137 62.100 -0.090 0.000 0.947 720 T CB -0.293 68.527 68.868 -0.079 0.000 1.016 720 T HN 0.334 nan 8.240 nan 0.000 0.554 721 A N 2.129 124.935 122.820 -0.023 0.000 2.274 721 A HA 0.576 4.898 4.320 0.003 0.000 0.297 721 A C 0.815 178.414 177.584 0.025 0.000 1.191 721 A CA -0.236 51.804 52.037 0.005 0.000 0.889 721 A CB 0.504 19.504 19.000 -0.001 0.000 1.294 721 A HN 0.420 nan 8.150 nan 0.000 0.506 722 D N -0.678 119.743 120.400 0.035 0.000 2.395 722 D HA 0.251 4.893 4.640 0.003 0.000 0.226 722 D C 0.568 176.900 176.300 0.054 0.000 1.146 722 D CA 0.355 54.386 54.000 0.051 0.000 0.830 722 D CB -0.565 40.270 40.800 0.059 0.000 0.958 722 D HN 0.544 nan 8.370 nan 0.000 0.501 723 G N 1.095 109.920 108.800 0.041 0.000 2.537 723 G HA2 0.459 4.422 3.960 0.003 0.000 0.273 723 G HA3 0.459 4.422 3.960 0.003 0.000 0.273 723 G C -2.425 172.502 174.900 0.045 0.000 1.189 723 G CA -1.225 43.898 45.100 0.038 0.000 0.881 723 G HN 0.036 nan 8.290 nan 0.000 0.535 724 P HA 0.191 nan 4.420 nan 0.000 0.274 724 P C -0.130 177.188 177.300 0.030 0.000 1.237 724 P CA -0.414 62.717 63.100 0.051 0.000 0.793 724 P CB 1.198 32.931 31.700 0.055 0.000 0.977 725 I N 1.997 122.597 120.570 0.050 0.000 2.556 725 I HA 0.092 4.264 4.170 0.003 0.000 0.284 725 I C 1.289 177.405 176.117 -0.002 0.000 1.114 725 I CA 0.481 61.810 61.300 0.049 0.000 1.418 725 I CB -0.271 37.790 38.000 0.102 0.000 1.394 725 I HN 0.426 nan 8.210 nan 0.000 0.552 726 Q N 4.314 124.051 119.800 -0.106 0.000 2.738 726 Q HA 0.329 4.671 4.340 0.003 0.000 0.197 726 Q C 0.615 176.372 176.000 -0.405 0.000 1.012 726 Q CA -0.702 54.946 55.803 -0.259 0.000 0.968 726 Q CB 1.218 29.753 28.738 -0.337 0.000 1.590 726 Q HN 0.473 nan 8.270 nan 0.000 0.490 727 E N -0.068 119.665 120.200 -0.778 0.000 2.127 727 E HA -0.026 4.326 4.350 0.003 0.000 0.191 727 E C -0.208 175.592 176.600 -1.332 0.000 0.964 727 E CA 0.639 56.321 56.400 -1.197 0.000 0.832 727 E CB 0.345 29.061 29.700 -1.640 0.000 0.790 727 E HN 0.472 nan 8.360 nan 0.000 0.465 728 N N -1.329 116.563 118.700 -1.346 0.000 3.243 728 N HA 0.257 4.999 4.740 0.003 0.000 0.280 728 N C -1.604 173.275 175.510 -1.051 0.000 1.545 728 N CA -0.740 51.527 53.050 -1.305 0.000 0.854 728 N CB 0.585 37.948 38.487 -1.873 0.000 1.612 728 N HN -0.155 nan 8.380 nan 0.000 0.577 729 Y N -1.403 118.666 120.300 -0.386 0.000 2.524 729 Y HA 0.451 5.004 4.550 0.003 0.000 0.347 729 Y C -0.193 175.636 175.900 -0.117 0.000 1.005 729 Y CA -1.081 56.897 58.100 -0.203 0.000 1.025 729 Y CB 1.628 40.018 38.460 -0.116 0.000 1.275 729 Y HN 0.589 nan 8.280 nan 0.000 0.460 730 N N 4.517 123.278 118.700 0.102 0.000 2.475 730 N HA 0.072 4.814 4.740 0.003 0.000 0.267 730 N C -1.842 173.777 175.510 0.182 0.000 1.169 730 N CA -1.568 51.539 53.050 0.094 0.000 0.947 730 N CB 1.381 39.904 38.487 0.060 0.000 1.061 730 N HN 0.376 nan 8.380 nan 0.000 0.466 731 P HA -0.085 nan 4.420 nan 0.000 0.223 731 P C 1.179 178.649 177.300 0.282 0.000 1.151 731 P CA 1.008 64.276 63.100 0.281 0.000 0.787 731 P CB 0.469 32.385 31.700 0.360 0.000 0.788 732 L N -0.609 120.750 121.223 0.226 0.000 2.298 732 L HA 0.069 4.411 4.340 0.003 0.000 0.209 732 L C 2.410 179.279 176.870 -0.003 0.000 1.084 732 L CA 1.770 56.693 54.840 0.139 0.000 0.816 732 L CB -0.965 41.154 42.059 0.101 0.000 0.967 732 L HN 0.086 nan 8.230 nan 0.000 0.460 733 T N -5.199 109.383 114.554 0.046 0.000 2.959 733 T HA 0.285 4.637 4.350 0.003 0.000 0.254 733 T C 1.459 176.259 174.700 0.167 0.000 1.003 733 T CA 0.567 62.630 62.100 -0.063 0.000 0.950 733 T CB 0.992 69.823 68.868 -0.061 0.000 1.090 733 T HN 0.325 nan 8.240 nan 0.000 0.503 734 G N 1.770 110.724 108.800 0.257 0.000 2.179 734 G HA2 -0.056 3.906 3.960 0.003 0.000 0.260 734 G HA3 -0.056 3.906 3.960 0.003 0.000 0.260 734 G C 0.365 175.377 174.900 0.186 0.000 0.977 734 G CA -0.010 45.209 45.100 0.200 0.000 0.641 734 G HN 1.279 nan 8.290 nan 0.000 0.533 735 A N 0.088 122.978 122.820 0.115 0.000 2.511 735 A HA 0.568 4.890 4.320 0.003 0.000 0.242 735 A C 0.670 178.258 177.584 0.007 0.000 1.069 735 A CA 0.495 52.562 52.037 0.052 0.000 0.763 735 A CB 0.255 19.257 19.000 0.005 0.000 1.001 735 A HN 0.576 nan 8.150 nan 0.000 0.498 736 Q N 0.834 120.596 119.800 -0.063 0.000 2.260 736 Q HA 0.503 4.845 4.340 0.003 0.000 0.242 736 Q C -0.556 175.294 176.000 -0.250 0.000 0.932 736 Q CA -0.160 55.490 55.803 -0.255 0.000 0.891 736 Q CB 1.237 29.822 28.738 -0.255 0.000 1.222 736 Q HN 0.815 nan 8.270 nan 0.000 0.453 737 Q N -0.641 118.926 119.800 -0.389 0.000 2.482 737 Q HA 0.625 4.967 4.340 0.003 0.000 0.286 737 Q C -0.977 174.764 176.000 -0.432 0.000 1.007 737 Q CA -0.487 55.136 55.803 -0.300 0.000 0.801 737 Q CB 2.627 31.232 28.738 -0.223 0.000 1.455 737 Q HN 0.891 nan 8.270 nan 0.000 0.398 738 G N 0.127 108.785 108.800 -0.237 0.000 2.479 738 G HA2 0.233 4.195 3.960 0.003 0.000 0.686 738 G HA3 0.233 4.195 3.960 0.003 0.000 0.686 738 G C -1.057 173.670 174.900 -0.288 0.000 1.295 738 G CA -0.559 44.357 45.100 -0.307 0.000 0.922 738 G HN 0.777 nan 8.290 nan 0.000 0.582 739 A N 1.683 124.243 122.820 -0.432 0.000 2.511 739 A HA 0.643 4.965 4.320 0.003 0.000 0.242 739 A C -1.194 176.181 177.584 -0.349 0.000 1.069 739 A CA 0.048 51.646 52.037 -0.731 0.000 0.763 739 A CB -0.087 18.543 19.000 -0.617 0.000 1.001 739 A HN 0.778 nan 8.150 nan 0.000 0.498 740 P HA 0.179 nan 4.420 nan 0.000 0.278 740 P C -0.567 176.728 177.300 -0.009 0.000 1.238 740 P CA -0.213 62.835 63.100 -0.087 0.000 0.794 740 P CB 0.285 31.962 31.700 -0.039 0.000 0.955 741 N N -1.474 117.252 118.700 0.043 0.000 2.783 741 N HA -0.232 4.510 4.740 0.003 0.000 0.247 741 N C -0.795 174.772 175.510 0.096 0.000 1.089 741 N CA 0.100 53.195 53.050 0.074 0.000 0.690 741 N CB -2.139 36.392 38.487 0.073 0.000 0.991 741 N HN 0.378 nan 8.380 nan 0.000 0.552 742 F N 1.117 121.010 119.950 -0.094 0.000 2.471 742 F HA 0.297 4.826 4.527 0.003 0.000 0.365 742 F C 1.569 177.321 175.800 -0.080 0.000 1.095 742 F CA -0.289 57.623 58.000 -0.148 0.000 1.174 742 F CB 0.692 39.542 39.000 -0.251 0.000 1.105 742 F HN 0.060 nan 8.300 nan 0.000 0.535 743 S N 5.119 120.537 115.700 -0.471 0.000 2.359 743 S HA -0.263 4.209 4.470 0.003 0.000 0.223 743 S C 1.690 176.135 174.600 -0.258 0.000 1.039 743 S CA 1.987 59.995 58.200 -0.320 0.000 1.042 743 S CB -0.663 62.374 63.200 -0.271 0.000 0.915 743 S HN 0.921 nan 8.310 nan 0.000 0.439 744 W N 2.414 123.280 121.300 -0.723 0.000 2.465 744 W HA 0.142 4.803 4.660 0.003 0.000 0.268 744 W C 1.799 178.300 176.519 -0.030 0.000 1.242 744 W CA 0.484 57.622 57.345 -0.345 0.000 1.248 744 W CB -1.151 28.109 29.460 -0.333 0.000 1.118 744 W HN 0.111 nan 8.180 nan 0.000 0.587 745 S N 1.032 116.883 115.700 0.251 0.000 2.371 745 S HA -0.012 4.460 4.470 0.003 0.000 0.224 745 S C 2.247 177.021 174.600 0.290 0.000 1.029 745 S CA 1.683 60.126 58.200 0.406 0.000 0.978 745 S CB -0.871 62.536 63.200 0.346 0.000 0.833 745 S HN 0.417 nan 8.310 nan 0.000 0.466 746 A N 1.734 124.657 122.820 0.172 0.000 1.908 746 A HA 0.043 4.365 4.320 0.003 0.000 0.218 746 A C 2.340 180.020 177.584 0.159 0.000 1.181 746 A CA 1.804 53.933 52.037 0.154 0.000 0.627 746 A CB -1.142 17.912 19.000 0.091 0.000 0.818 746 A HN 0.509 nan 8.150 nan 0.000 0.445 747 A N -1.065 121.812 122.820 0.095 0.000 1.883 747 A HA -0.231 4.091 4.320 0.003 0.000 0.217 747 A C 2.064 179.589 177.584 -0.098 0.000 1.186 747 A CA 1.676 53.714 52.037 0.001 0.000 0.624 747 A CB -0.963 17.958 19.000 -0.131 0.000 0.822 747 A HN 0.686 nan 8.150 nan 0.000 0.444 748 H N -0.789 118.278 119.070 -0.005 0.000 2.502 748 H HA 0.099 4.657 4.556 0.003 0.000 0.283 748 H C 2.001 177.306 175.328 -0.039 0.000 1.015 748 H CA 1.109 57.051 56.048 -0.177 0.000 1.298 748 H CB -0.073 29.602 29.762 -0.144 0.000 1.411 748 H HN 0.398 nan 8.280 nan 0.000 0.556 749 L N 0.002 121.365 121.223 0.233 0.000 2.109 749 L HA -0.131 4.211 4.340 0.003 0.000 0.207 749 L C 1.488 178.524 176.870 0.276 0.000 1.086 749 L CA 0.487 55.516 54.840 0.315 0.000 0.760 749 L CB -0.354 41.935 42.059 0.383 0.000 0.910 749 L HN 0.170 nan 8.230 nan 0.000 0.437 753 Y N 1.663 121.802 120.300 -0.269 0.000 2.165 753 Y HA -0.196 4.356 4.550 0.003 0.000 0.286 753 Y C 1.957 177.766 175.900 -0.151 0.000 1.155 753 Y CA 2.669 60.785 58.100 0.027 0.000 1.164 753 Y CB -0.322 38.169 38.460 0.052 0.000 0.978 753 Y HN 0.215 nan 8.280 nan 0.000 0.513 754 N N -0.634 117.788 118.700 -0.463 0.000 2.171 754 N HA -0.171 4.571 4.740 0.003 0.000 0.184 754 N C 1.008 176.277 175.510 -0.401 0.000 1.021 754 N CA 1.252 53.984 53.050 -0.530 0.000 0.854 754 N CB 0.016 38.227 38.487 -0.459 0.000 0.994 754 N HN 0.434 nan 8.380 nan 0.000 0.426 755 D N -0.910 119.276 120.400 -0.357 0.000 2.262 755 D HA 0.007 4.649 4.640 0.003 0.000 0.212 755 D C 0.761 176.551 176.300 -0.851 0.000 0.964 755 D CA 0.911 54.541 54.000 -0.617 0.000 0.875 755 D CB 0.129 40.459 40.800 -0.784 0.000 0.996 755 D HN 0.285 nan 8.370 nan 0.000 0.497 756 F N -0.815 119.065 119.950 -0.117 0.000 2.819 756 F HA 0.216 4.745 4.527 0.003 0.000 0.325 756 F C 0.318 176.133 175.800 0.024 0.000 1.041 756 F CA -0.622 57.331 58.000 -0.079 0.000 1.184 756 F CB 0.166 39.110 39.000 -0.093 0.000 1.019 756 F HN -0.290 nan 8.300 nan 0.000 0.590 757 F N 4.047 124.078 119.950 0.134 0.000 2.504 757 F HA 0.430 4.959 4.527 0.003 0.000 0.369 757 F C 0.629 176.380 175.800 -0.081 0.000 1.082 757 F CA -0.772 57.240 58.000 0.020 0.000 1.216 757 F CB 0.127 39.129 39.000 0.003 0.000 1.108 757 F HN -0.123 nan 8.300 nan 0.000 0.554 758 R N 1.941 122.508 120.500 0.111 0.000 2.764 758 R HA 0.371 4.713 4.340 0.003 0.000 0.270 758 R C -0.535 175.747 176.300 -0.031 0.000 1.014 758 R CA -1.203 54.907 56.100 0.016 0.000 0.904 758 R CB 1.695 32.013 30.300 0.030 0.000 1.236 758 R HN 0.525 nan 8.270 nan 0.000 0.466 759 K N 0.000 120.382 120.400 -0.030 0.000 2.780 759 K HA 0.000 4.322 4.320 0.003 0.000 0.191 759 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 759 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543