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 1we5_1_D DATA FIRST_RESID 2 DATA SEQUENCE KISDGNWLIQ PGLNLIHPLQ VFEVEQQDNE XVVYAAPRDV RERTWQLDTP DATA SEQUENCE LFTLRFFSPQ EGIVGVRIEH FQGALNNGPH YPLNILQDVK VTIENTERYA DATA SEQUENCE EFKSGNLSAR VSKGEFWSLD FLRNGERITG SQVKNNGYVQ DTNNQRNYXF DATA SEQUENCE ERLDLGVGET VYGLGERFTA LVRNGQTVET WNRDGGTSTE QAYKNIPFYX DATA SEQUENCE TNRGYGVLVN HPQCVSFEVG SEKVSKVQFS VESEYLEYFV IDGPTPKAVL DATA SEQUENCE DRYTRFTGRP ALPPAWSFGL WLTTSFTTNY DEATVNSFID GXAERNLPLH DATA SEQUENCE VFHFDCFWXK AFQWCDFEWD PLTFPDPEGX IRRLKAKGLK ICVWINPYIG DATA SEQUENCE QKSPVFKELQ EKGYLLKRPD GSLWQWDKWQ PGLAIYDFTN PDACKWYADK DATA SEQUENCE LKGLVAXGVD CFKTDFGERI PTDVQWFDGS DPQKXHNHYA YIYNELVWNV DATA SEQUENCE LKDTVGEEEA VLFARSASVG AQKFPVHWGG DCYANYESXA ESLRGGLSIG DATA SEQUENCE LSGFGFWSHD IXXXXXXAPA HVYKRWCAFG LLSSHSRLHG SXXXXXXXXX DATA SEQUENCE DDESCDVVRF FTQLKCRXXP YLYREAARAN ARGTPXXRAX XXEFPDDPAC DATA SEQUENCE DYLDRQYXLG DNVXVAPVFT EAGDVQFYLP EGRWTHLWHN DELDGSRWHK DATA SEQUENCE QQHGFLSLPV YVRDNTLLAL GNNDQRPDYV WHEGTAFHLF NLQDGHEAVC DATA SEQUENCE EVPAADGSVI FTLKAARTGN TITVTGAGEA KNWTLCLRNV VKVNGLQDGS DATA SEQUENCE QAESEQGLVV KPQGNALTIT L 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.453 176.600 -0.246 0.000 0.988 2 K CA 0.000 56.171 56.287 -0.193 0.000 0.838 2 K CB 0.000 32.414 32.500 -0.143 0.000 1.064 3 I N 0.121 120.518 120.570 -0.288 0.000 3.136 3 I HA -0.039 4.132 4.170 0.002 0.000 0.262 3 I C 1.084 177.052 176.117 -0.249 0.000 1.132 3 I CA 0.384 61.476 61.300 -0.346 0.000 1.450 3 I CB 0.370 38.022 38.000 -0.580 0.000 1.315 3 I HN 0.629 nan 8.210 nan 0.000 0.460 4 S N 0.089 115.656 115.700 -0.222 0.000 2.645 4 S HA 0.183 4.655 4.470 0.002 0.000 0.266 4 S C -0.324 174.203 174.600 -0.121 0.000 1.258 4 S CA -0.462 57.647 58.200 -0.151 0.000 0.990 4 S CB 1.636 64.749 63.200 -0.146 0.000 0.967 4 S HN 0.214 nan 8.310 nan 0.000 0.556 5 D N -0.155 120.193 120.400 -0.087 0.000 2.441 5 D HA 0.504 5.145 4.640 0.002 0.000 0.287 5 D C 0.527 176.793 176.300 -0.055 0.000 1.198 5 D CA 0.787 54.749 54.000 -0.063 0.000 0.894 5 D CB -0.022 40.755 40.800 -0.037 0.000 1.070 5 D HN 1.143 nan 8.370 nan 0.000 0.499 6 G N 2.704 111.449 108.800 -0.092 0.000 2.725 6 G HA2 -0.299 3.662 3.960 0.002 0.000 0.220 6 G HA3 -0.299 3.662 3.960 0.002 0.000 0.220 6 G C 0.652 175.414 174.900 -0.229 0.000 1.357 6 G CA -0.105 44.918 45.100 -0.129 0.000 0.866 6 G HN 0.451 nan 8.290 nan 0.000 0.548 7 N N -0.560 117.871 118.700 -0.448 0.000 2.409 7 N HA -0.010 4.731 4.740 0.002 0.000 0.179 7 N C 1.838 176.958 175.510 -0.649 0.000 1.032 7 N CA 1.713 54.352 53.050 -0.685 0.000 0.898 7 N CB 0.053 37.886 38.487 -1.090 0.000 0.971 7 N HN 0.669 nan 8.380 nan 0.000 0.441 8 W N 0.720 122.010 121.300 -0.017 0.000 2.762 8 W HA 0.360 5.021 4.660 0.002 0.000 0.265 8 W C 0.607 177.118 176.519 -0.013 0.000 1.263 8 W CA -0.590 56.748 57.345 -0.012 0.000 1.411 8 W CB 0.329 29.783 29.460 -0.011 0.000 1.065 8 W HN -0.158 nan 8.180 nan 0.000 0.609 9 L N 0.361 121.674 121.223 0.150 0.000 2.260 9 L HA 0.560 4.901 4.340 0.002 0.000 0.265 9 L C -0.173 176.708 176.870 0.018 0.000 1.015 9 L CA -1.439 53.453 54.840 0.086 0.000 0.826 9 L CB 1.193 43.298 42.059 0.076 0.000 1.373 9 L HN -0.337 nan 8.230 nan 0.000 0.450 10 I N 0.278 120.852 120.570 0.006 0.000 2.689 10 I HA 0.264 4.435 4.170 0.002 0.000 0.299 10 I C -0.223 175.868 176.117 -0.042 0.000 1.059 10 I CA -0.819 60.463 61.300 -0.030 0.000 1.055 10 I CB 1.784 39.773 38.000 -0.018 0.000 1.243 10 I HN 0.547 nan 8.210 nan 0.000 0.425 11 Q N 4.500 124.255 119.800 -0.075 0.000 2.304 11 Q HA 0.077 4.418 4.340 0.002 0.000 0.301 11 Q C -2.162 173.804 176.000 -0.056 0.000 1.063 11 Q CA -1.114 54.645 55.803 -0.074 0.000 0.947 11 Q CB -0.231 28.442 28.738 -0.109 0.000 1.201 11 Q HN 0.238 nan 8.270 nan 0.000 0.389 12 P HA -0.026 nan 4.420 nan 0.000 0.264 12 P C 0.552 177.831 177.300 -0.035 0.000 1.183 12 P CA 1.080 64.162 63.100 -0.030 0.000 0.763 12 P CB 0.360 32.046 31.700 -0.024 0.000 0.807 13 G N 1.353 110.137 108.800 -0.026 0.000 2.159 13 G HA2 -0.225 3.736 3.960 0.002 0.000 0.256 13 G HA3 -0.225 3.736 3.960 0.002 0.000 0.256 13 G C -0.354 174.525 174.900 -0.036 0.000 0.977 13 G CA -0.428 44.656 45.100 -0.026 0.000 0.652 13 G HN 0.441 nan 8.290 nan 0.000 0.531 14 L N 1.408 122.602 121.223 -0.048 0.000 2.287 14 L HA 0.535 4.876 4.340 0.002 0.000 0.287 14 L C -0.320 176.519 176.870 -0.051 0.000 1.022 14 L CA -1.174 53.626 54.840 -0.067 0.000 0.814 14 L CB 1.506 43.501 42.059 -0.106 0.000 1.217 14 L HN 0.105 nan 8.230 nan 0.000 0.420 15 N N 5.120 123.789 118.700 -0.051 0.000 2.419 15 N HA 0.557 5.298 4.740 0.002 0.000 0.277 15 N C -0.931 174.550 175.510 -0.048 0.000 1.006 15 N CA -0.349 52.683 53.050 -0.030 0.000 0.923 15 N CB 2.017 40.497 38.487 -0.012 0.000 1.140 15 N HN 0.406 nan 8.380 nan 0.000 0.488 16 L N 2.795 123.997 121.223 -0.035 0.000 2.346 16 L HA 0.676 5.018 4.340 0.002 0.000 0.274 16 L C 0.148 176.928 176.870 -0.150 0.000 1.007 16 L CA -1.066 53.717 54.840 -0.096 0.000 0.818 16 L CB 1.533 43.540 42.059 -0.087 0.000 1.284 16 L HN 0.395 nan 8.230 nan 0.000 0.424 17 I N -1.170 119.271 120.570 -0.215 0.000 2.647 17 I HA 0.637 4.809 4.170 0.002 0.000 0.295 17 I C -1.293 174.723 176.117 -0.168 0.000 1.078 17 I CA -0.684 60.560 61.300 -0.093 0.000 1.048 17 I CB 2.160 40.196 38.000 0.058 0.000 1.239 17 I HN 0.573 nan 8.210 nan 0.000 0.421 18 H N 2.933 122.114 119.070 0.186 0.000 2.865 18 H HA 0.556 5.113 4.556 0.002 0.000 0.372 18 H C -2.814 172.404 175.328 -0.183 0.000 1.173 18 H CA -2.433 53.555 56.048 -0.100 0.000 1.147 18 H CB 1.682 31.340 29.762 -0.174 0.000 1.805 18 H HN 0.385 nan 8.280 nan 0.000 0.553 19 P HA 0.089 nan 4.420 nan 0.000 0.279 19 P C -0.266 176.385 177.300 -1.082 0.000 1.318 19 P CA 0.042 62.725 63.100 -0.695 0.000 0.819 19 P CB 0.423 31.521 31.700 -1.004 0.000 0.927 20 L N 2.006 122.897 121.223 -0.553 0.000 2.701 20 L HA 0.310 4.651 4.340 0.002 0.000 0.238 20 L C 0.802 177.639 176.870 -0.056 0.000 1.106 20 L CA 0.740 55.360 54.840 -0.366 0.000 0.898 20 L CB 0.070 42.066 42.059 -0.104 0.000 1.188 20 L HN 0.321 nan 8.230 nan 0.000 0.508 21 Q N -0.041 119.772 119.800 0.021 0.000 2.327 21 Q HA 0.376 4.717 4.340 0.002 0.000 0.265 21 Q C -1.482 174.744 176.000 0.376 0.000 0.993 21 Q CA -0.407 55.556 55.803 0.266 0.000 0.885 21 Q CB 2.619 31.447 28.738 0.150 0.000 1.379 21 Q HN -0.163 nan 8.270 nan 0.000 0.408 22 V N 4.987 125.183 119.914 0.469 0.000 2.572 22 V HA 0.050 4.171 4.120 0.002 0.000 0.291 22 V C 0.346 176.641 176.094 0.335 0.000 1.039 22 V CA 0.742 63.294 62.300 0.420 0.000 1.055 22 V CB 0.590 32.581 31.823 0.281 0.000 0.969 22 V HN 0.829 nan 8.190 nan 0.000 0.482 23 F N 3.165 123.252 119.950 0.229 0.000 2.514 23 F HA 0.401 4.929 4.527 0.002 0.000 0.281 23 F C 0.838 176.736 175.800 0.163 0.000 1.060 23 F CA 0.465 58.568 58.000 0.171 0.000 1.397 23 F CB 0.574 39.672 39.000 0.163 0.000 1.129 23 F HN 0.548 nan 8.300 nan 0.000 0.620 24 E N 0.464 120.682 120.200 0.029 0.000 2.363 24 E HA 0.476 4.828 4.350 0.002 0.000 0.281 24 E C -2.047 174.679 176.600 0.210 0.000 0.953 24 E CA -0.681 55.695 56.400 -0.040 0.000 0.778 24 E CB 2.387 32.013 29.700 -0.123 0.000 1.220 24 E HN -0.143 nan 8.360 nan 0.000 0.431 25 V N 3.311 123.297 119.914 0.120 0.000 2.409 25 V HA 0.429 4.551 4.120 0.002 0.000 0.291 25 V C -0.371 175.803 176.094 0.135 0.000 1.020 25 V CA -0.594 61.787 62.300 0.135 0.000 0.848 25 V CB 1.420 33.288 31.823 0.075 0.000 0.990 25 V HN 0.668 nan 8.190 nan 0.000 0.430 26 E N 3.580 123.883 120.200 0.171 0.000 2.238 26 E HA 0.504 4.856 4.350 0.002 0.000 0.267 26 E C -1.088 175.589 176.600 0.128 0.000 0.887 26 E CA -0.720 55.775 56.400 0.159 0.000 0.769 26 E CB 2.191 32.042 29.700 0.250 0.000 1.187 26 E HN 0.716 nan 8.360 nan 0.000 0.416 27 Q N 3.599 123.463 119.800 0.107 0.000 2.348 27 Q HA 0.178 4.519 4.340 0.002 0.000 0.265 27 Q C -0.467 175.590 176.000 0.094 0.000 0.998 27 Q CA -0.740 55.127 55.803 0.106 0.000 0.831 27 Q CB 1.185 29.977 28.738 0.089 0.000 1.251 27 Q HN 0.537 nan 8.270 nan 0.000 0.456 28 Q N 2.328 122.187 119.800 0.098 0.000 2.722 28 Q HA 0.074 4.415 4.340 0.002 0.000 0.187 28 Q C 0.182 176.229 176.000 0.078 0.000 1.110 28 Q CA 0.077 55.926 55.803 0.076 0.000 0.798 28 Q CB 0.091 28.864 28.738 0.058 0.000 3.872 28 Q HN 0.668 nan 8.270 nan 0.000 0.411 29 D N 1.119 121.559 120.400 0.067 0.000 2.084 29 D HA -0.178 4.464 4.640 0.002 0.000 0.231 29 D C 1.062 177.419 176.300 0.095 0.000 1.023 29 D CA 1.800 55.840 54.000 0.067 0.000 0.934 29 D CB -0.306 40.526 40.800 0.054 0.000 1.205 29 D HN 0.585 nan 8.370 nan 0.000 0.485 30 N N -0.187 118.587 118.700 0.123 0.000 2.273 30 N HA 0.117 4.859 4.740 0.002 0.000 0.231 30 N C -0.611 175.094 175.510 0.324 0.000 1.134 30 N CA -0.119 53.039 53.050 0.179 0.000 0.856 30 N CB 0.347 38.929 38.487 0.158 0.000 1.068 30 N HN 0.274 nan 8.380 nan 0.000 0.510 34 V N 4.333 124.248 119.914 0.002 0.000 2.483 34 V HA 0.526 4.647 4.120 0.002 0.000 0.297 34 V C -1.274 174.821 176.094 0.002 0.000 1.027 34 V CA -0.730 61.635 62.300 0.107 0.000 0.855 34 V CB 1.892 33.903 31.823 0.314 0.000 0.995 34 V HN 0.768 nan 8.190 nan 0.000 0.424 35 Y N 2.938 123.404 120.300 0.276 0.000 2.341 35 Y HA 0.692 5.243 4.550 0.002 0.000 0.340 35 Y C 0.561 176.669 175.900 0.347 0.000 0.997 35 Y CA -0.346 57.930 58.100 0.294 0.000 1.149 35 Y CB 1.604 40.260 38.460 0.327 0.000 1.171 35 Y HN 0.709 nan 8.280 nan 0.000 0.494 36 A N 2.629 125.699 122.820 0.417 0.000 2.330 36 A HA 0.846 5.167 4.320 0.002 0.000 0.313 36 A C -0.563 177.171 177.584 0.250 0.000 1.124 36 A CA -0.655 51.577 52.037 0.325 0.000 0.774 36 A CB 0.464 19.555 19.000 0.152 0.000 1.198 36 A HN 0.802 nan 8.150 nan 0.000 0.465 37 A N 3.585 126.522 122.820 0.194 0.000 2.302 37 A HA 0.758 5.080 4.320 0.002 0.000 0.285 37 A C -1.817 175.822 177.584 0.092 0.000 1.105 37 A CA -1.545 50.562 52.037 0.117 0.000 0.816 37 A CB 0.339 19.390 19.000 0.084 0.000 1.067 37 A HN 0.576 nan 8.150 nan 0.000 0.489 38 P HA 0.129 nan 4.420 nan 0.000 0.257 38 P C -0.315 177.028 177.300 0.071 0.000 1.325 38 P CA 0.275 63.441 63.100 0.110 0.000 0.850 38 P CB -0.129 31.640 31.700 0.114 0.000 1.324 39 R N -2.447 118.082 120.500 0.048 0.000 2.741 39 R HA 0.351 4.692 4.340 0.002 0.000 0.276 39 R C -1.512 174.793 176.300 0.008 0.000 1.028 39 R CA -0.837 55.279 56.100 0.027 0.000 0.865 39 R CB -0.502 29.822 30.300 0.040 0.000 1.268 39 R HN -0.363 nan 8.270 nan 0.000 0.475 40 D N 0.786 121.157 120.400 -0.049 0.000 2.472 40 D HA 0.055 4.696 4.640 0.002 0.000 0.248 40 D C -0.375 175.891 176.300 -0.056 0.000 1.174 40 D CA 0.469 54.418 54.000 -0.084 0.000 0.883 40 D CB 1.382 42.066 40.800 -0.193 0.000 1.149 40 D HN 0.392 nan 8.370 nan 0.000 0.488 41 V N 5.506 125.435 119.914 0.025 0.000 3.111 41 V HA 0.169 4.290 4.120 0.002 0.000 0.343 41 V C 1.636 177.817 176.094 0.144 0.000 1.417 41 V CA -0.178 62.177 62.300 0.091 0.000 1.142 41 V CB -0.306 31.557 31.823 0.066 0.000 1.114 41 V HN 0.541 nan 8.190 nan 0.000 0.520 42 R N 0.329 120.878 120.500 0.082 0.000 2.189 42 R HA 0.054 4.395 4.340 0.002 0.000 0.223 42 R C 0.740 177.105 176.300 0.109 0.000 1.092 42 R CA 0.605 56.761 56.100 0.095 0.000 0.989 42 R CB 0.252 30.567 30.300 0.024 0.000 0.876 42 R HN 0.314 nan 8.270 nan 0.000 0.457 43 E N 0.853 121.125 120.200 0.119 0.000 2.146 43 E HA 0.088 4.440 4.350 0.002 0.000 0.282 43 E C 0.325 177.082 176.600 0.262 0.000 0.989 43 E CA -0.191 56.328 56.400 0.198 0.000 0.799 43 E CB 0.909 30.772 29.700 0.272 0.000 1.088 43 E HN 0.022 nan 8.360 nan 0.000 0.397 44 R N 1.078 121.688 120.500 0.183 0.000 2.134 44 R HA -0.206 4.135 4.340 0.002 0.000 0.248 44 R C 1.777 178.143 176.300 0.110 0.000 1.143 44 R CA 2.466 58.649 56.100 0.139 0.000 0.957 44 R CB -0.402 29.956 30.300 0.096 0.000 0.867 44 R HN 0.583 nan 8.270 nan 0.000 0.441 45 T N -3.198 111.420 114.554 0.106 0.000 3.025 45 T HA -0.133 4.219 4.350 0.002 0.000 0.270 45 T C 1.092 175.692 174.700 -0.167 0.000 1.126 45 T CA 0.812 62.883 62.100 -0.048 0.000 1.105 45 T CB -0.192 68.606 68.868 -0.116 0.000 0.884 45 T HN 0.404 nan 8.240 nan 0.000 0.522 46 W N 1.324 122.618 121.300 -0.010 0.000 3.220 46 W HA 0.408 5.069 4.660 0.002 0.000 0.328 46 W C 1.266 177.756 176.519 -0.048 0.000 1.205 46 W CA -0.805 56.528 57.345 -0.020 0.000 1.773 46 W CB 0.084 29.539 29.460 -0.008 0.000 1.086 46 W HN 0.201 nan 8.180 nan 0.000 0.622 47 Q N 1.665 121.532 119.800 0.112 0.000 2.945 47 Q HA 0.241 4.583 4.340 0.002 0.000 0.323 47 Q C -0.734 175.219 176.000 -0.079 0.000 1.188 47 Q CA 0.184 55.972 55.803 -0.026 0.000 0.929 47 Q CB -0.693 28.027 28.738 -0.031 0.000 1.531 47 Q HN 0.138 nan 8.270 nan 0.000 0.444 48 L N -5.203 115.988 121.223 -0.054 0.000 3.020 48 L HA 0.457 4.798 4.340 0.002 0.000 0.273 48 L C -0.530 176.311 176.870 -0.048 0.000 1.018 48 L CA -1.014 53.784 54.840 -0.070 0.000 0.950 48 L CB 0.770 42.785 42.059 -0.074 0.000 1.510 48 L HN -0.060 nan 8.230 nan 0.000 0.404 49 D N -0.134 120.237 120.400 -0.049 0.000 2.699 49 D HA -0.179 4.462 4.640 0.002 0.000 0.239 49 D C -0.414 175.882 176.300 -0.006 0.000 1.136 49 D CA 1.722 55.703 54.000 -0.031 0.000 0.668 49 D CB -0.320 40.454 40.800 -0.043 0.000 1.060 49 D HN 1.138 nan 8.370 nan 0.000 0.429 50 T N -0.740 113.804 114.554 -0.016 0.000 2.885 50 T HA 0.571 4.922 4.350 0.002 0.000 0.322 50 T C -2.687 171.991 174.700 -0.036 0.000 1.387 50 T CA -1.012 61.083 62.100 -0.008 0.000 1.041 50 T CB 1.773 70.645 68.868 0.006 0.000 1.287 50 T HN -0.132 nan 8.240 nan 0.000 0.491 51 P HA 0.635 nan 4.420 nan 0.000 0.274 51 P C -1.535 175.672 177.300 -0.154 0.000 1.246 51 P CA -0.679 62.357 63.100 -0.107 0.000 0.795 51 P CB 0.448 32.044 31.700 -0.175 0.000 1.006 52 L N 1.246 122.348 121.223 -0.201 0.000 2.476 52 L HA 0.470 4.812 4.340 0.002 0.000 0.269 52 L C -1.540 175.252 176.870 -0.131 0.000 0.965 52 L CA -0.376 54.400 54.840 -0.107 0.000 0.845 52 L CB 0.860 42.911 42.059 -0.012 0.000 1.259 52 L HN 0.123 nan 8.230 nan 0.000 0.403 53 F N 2.384 122.381 119.950 0.080 0.000 2.384 53 F HA 0.550 5.078 4.527 0.002 0.000 0.338 53 F C 0.790 176.641 175.800 0.084 0.000 1.103 53 F CA -0.047 57.988 58.000 0.059 0.000 1.157 53 F CB 1.697 40.693 39.000 -0.006 0.000 1.167 53 F HN 0.369 nan 8.300 nan 0.000 0.529 54 T N 5.355 120.051 114.554 0.236 0.000 2.788 54 T HA 0.529 4.880 4.350 0.002 0.000 0.296 54 T C -0.575 174.113 174.700 -0.020 0.000 1.009 54 T CA -0.466 61.648 62.100 0.023 0.000 0.949 54 T CB 0.321 69.192 68.868 0.005 0.000 0.946 54 T HN 0.157 nan 8.240 nan 0.000 0.453 55 L N 3.587 124.766 121.223 -0.074 0.000 2.282 55 L HA 0.584 4.925 4.340 0.002 0.000 0.288 55 L C 0.395 177.113 176.870 -0.254 0.000 1.033 55 L CA -0.356 54.389 54.840 -0.158 0.000 0.807 55 L CB 1.212 43.249 42.059 -0.037 0.000 1.209 55 L HN 0.421 nan 8.230 nan 0.000 0.423 56 R N 3.306 123.582 120.500 -0.374 0.000 2.409 56 R HA 0.537 4.878 4.340 0.002 0.000 0.313 56 R C -1.612 174.490 176.300 -0.331 0.000 0.953 56 R CA -0.455 55.492 56.100 -0.256 0.000 0.849 56 R CB 0.722 30.900 30.300 -0.205 0.000 1.171 56 R HN 0.362 nan 8.270 nan 0.000 0.458 57 F N 6.193 126.065 119.950 -0.130 0.000 2.420 57 F HA 0.525 5.053 4.527 0.002 0.000 0.342 57 F C -0.149 175.291 175.800 -0.600 0.000 1.113 57 F CA -0.473 57.289 58.000 -0.396 0.000 1.059 57 F CB 1.169 39.815 39.000 -0.590 0.000 1.128 57 F HN 0.425 nan 8.300 nan 0.000 0.475 58 F N -0.302 119.205 119.950 -0.739 0.000 2.779 58 F HA 0.731 5.259 4.527 0.002 0.000 0.316 58 F C -1.135 174.636 175.800 -0.049 0.000 1.164 58 F CA -1.726 56.023 58.000 -0.418 0.000 0.924 58 F CB 1.396 40.337 39.000 -0.097 0.000 1.348 58 F HN 0.238 nan 8.300 nan 0.000 0.467 59 S N 1.333 117.193 115.700 0.267 0.000 2.672 59 S HA 0.597 5.068 4.470 0.002 0.000 0.291 59 S C -2.405 172.252 174.600 0.096 0.000 1.145 59 S CA -1.281 56.992 58.200 0.123 0.000 1.013 59 S CB 1.800 65.174 63.200 0.290 0.000 1.017 59 S HN 0.634 nan 8.310 nan 0.000 0.487 60 P HA 0.234 nan 4.420 nan 0.000 0.252 60 P C -0.571 176.633 177.300 -0.161 0.000 1.218 60 P CA 0.272 63.334 63.100 -0.064 0.000 0.807 60 P CB 0.432 32.043 31.700 -0.149 0.000 1.072 61 Q N -0.221 119.434 119.800 -0.242 0.000 2.391 61 Q HA 0.191 4.532 4.340 0.002 0.000 0.279 61 Q C -0.471 175.448 176.000 -0.135 0.000 1.028 61 Q CA -0.583 55.102 55.803 -0.197 0.000 0.836 61 Q CB 1.998 30.554 28.738 -0.304 0.000 1.414 61 Q HN 0.029 nan 8.270 nan 0.000 0.397 62 E N 0.225 120.375 120.200 -0.084 0.000 2.452 62 E HA 0.102 4.453 4.350 0.002 0.000 0.261 62 E C 0.586 177.149 176.600 -0.063 0.000 0.987 62 E CA 1.662 58.027 56.400 -0.058 0.000 0.926 62 E CB 0.312 29.984 29.700 -0.046 0.000 0.934 62 E HN 0.807 nan 8.360 nan 0.000 0.452 63 G N 4.111 112.888 108.800 -0.038 0.000 2.162 63 G HA2 -0.252 3.709 3.960 0.002 0.000 0.260 63 G HA3 -0.252 3.709 3.960 0.002 0.000 0.260 63 G C 0.307 175.193 174.900 -0.024 0.000 0.976 63 G CA 0.394 45.481 45.100 -0.022 0.000 0.655 63 G HN 0.513 nan 8.290 nan 0.000 0.533 64 I N 0.868 121.400 120.570 -0.063 0.000 2.410 64 I HA 0.441 4.613 4.170 0.002 0.000 0.286 64 I C -0.123 175.977 176.117 -0.028 0.000 1.009 64 I CA -1.064 60.179 61.300 -0.095 0.000 1.111 64 I CB 2.127 39.922 38.000 -0.342 0.000 1.262 64 I HN -0.135 nan 8.210 nan 0.000 0.443 65 V N 5.530 125.473 119.914 0.049 0.000 2.350 65 V HA 0.476 4.598 4.120 0.002 0.000 0.276 65 V C 0.754 176.781 176.094 -0.112 0.000 1.028 65 V CA -0.463 61.879 62.300 0.069 0.000 0.860 65 V CB 1.420 33.398 31.823 0.260 0.000 0.990 65 V HN 0.869 nan 8.190 nan 0.000 0.453 66 G N 3.730 112.235 108.800 -0.491 0.000 2.420 66 G HA2 0.552 4.513 3.960 0.002 0.000 0.284 66 G HA3 0.552 4.513 3.960 0.002 0.000 0.284 66 G C -0.886 173.563 174.900 -0.752 0.000 1.177 66 G CA -0.287 44.218 45.100 -0.991 0.000 0.841 66 G HN 0.581 nan 8.290 nan 0.000 0.527 67 V N 2.202 121.654 119.914 -0.769 0.000 2.524 67 V HA 0.496 4.617 4.120 0.002 0.000 0.297 67 V C -0.042 175.723 176.094 -0.548 0.000 1.035 67 V CA -0.859 61.004 62.300 -0.728 0.000 0.867 67 V CB 1.598 32.909 31.823 -0.853 0.000 1.004 67 V HN 0.827 nan 8.190 nan 0.000 0.426 68 R N 5.150 125.448 120.500 -0.336 0.000 2.360 68 R HA 0.690 5.031 4.340 0.002 0.000 0.318 68 R C -1.375 174.856 176.300 -0.115 0.000 0.950 68 R CA -0.555 55.476 56.100 -0.114 0.000 0.837 68 R CB 1.210 31.482 30.300 -0.047 0.000 1.165 68 R HN 0.738 nan 8.270 nan 0.000 0.458 69 I N 4.352 124.934 120.570 0.019 0.000 2.355 69 I HA 0.291 4.462 4.170 0.002 0.000 0.288 69 I C -0.150 176.091 176.117 0.207 0.000 0.999 69 I CA -0.559 60.775 61.300 0.056 0.000 1.163 69 I CB 1.709 39.715 38.000 0.010 0.000 1.316 69 I HN 0.491 nan 8.210 nan 0.000 0.454 70 E N 3.928 124.261 120.200 0.223 0.000 2.221 70 E HA 0.324 4.675 4.350 0.002 0.000 0.268 70 E C -0.465 176.307 176.600 0.286 0.000 0.933 70 E CA -0.627 55.935 56.400 0.269 0.000 0.809 70 E CB 2.702 32.497 29.700 0.158 0.000 1.190 70 E HN 0.544 nan 8.360 nan 0.000 0.406 71 H N 1.674 120.780 119.070 0.061 0.000 2.607 71 H HA 0.270 4.827 4.556 0.002 0.000 0.293 71 H C -0.531 174.763 175.328 -0.057 0.000 1.262 71 H CA 0.313 56.199 56.048 -0.270 0.000 1.854 71 H CB 0.270 29.597 29.762 -0.724 0.000 1.508 71 H HN 0.313 nan 8.280 nan 0.000 0.613 72 F N 2.223 121.953 119.950 -0.366 0.000 2.410 72 F HA 0.308 4.836 4.527 0.002 0.000 0.349 72 F C 1.177 176.931 175.800 -0.076 0.000 1.117 72 F CA -0.476 57.344 58.000 -0.299 0.000 1.104 72 F CB 1.565 40.411 39.000 -0.258 0.000 1.122 72 F HN 0.477 nan 8.300 nan 0.000 0.483 73 Q N 1.967 121.829 119.800 0.105 0.000 2.398 73 Q HA 0.070 4.411 4.340 0.002 0.000 0.204 73 Q C 1.933 177.950 176.000 0.028 0.000 0.932 73 Q CA 0.604 56.437 55.803 0.049 0.000 0.916 73 Q CB 0.217 28.955 28.738 0.001 0.000 1.024 73 Q HN 0.980 nan 8.270 nan 0.000 0.504 74 G N 0.940 109.741 108.800 0.003 0.000 2.776 74 G HA2 0.176 4.137 3.960 0.002 0.000 0.209 74 G HA3 0.176 4.137 3.960 0.002 0.000 0.209 74 G C 0.460 175.376 174.900 0.028 0.000 1.145 74 G CA 0.305 45.392 45.100 -0.021 0.000 0.791 74 G HN 0.323 nan 8.290 nan 0.000 0.530 75 A N -0.331 122.544 122.820 0.091 0.000 2.406 75 A HA 0.481 4.802 4.320 0.002 0.000 0.243 75 A C 1.399 179.041 177.584 0.096 0.000 1.082 75 A CA -0.461 51.648 52.037 0.120 0.000 0.786 75 A CB 0.483 19.597 19.000 0.189 0.000 1.029 75 A HN 0.118 nan 8.150 nan 0.000 0.495 76 L N 1.158 122.438 121.223 0.095 0.000 2.017 76 L HA -0.103 4.238 4.340 0.002 0.000 0.208 76 L C 0.722 177.656 176.870 0.107 0.000 1.073 76 L CA 1.678 56.568 54.840 0.084 0.000 0.745 76 L CB -1.172 40.933 42.059 0.077 0.000 0.894 76 L HN 0.825 nan 8.230 nan 0.000 0.432 77 N N 0.710 119.499 118.700 0.148 0.000 2.688 77 N HA -0.208 4.533 4.740 0.002 0.000 0.258 77 N C 0.210 175.833 175.510 0.188 0.000 1.016 77 N CA 0.587 53.760 53.050 0.204 0.000 0.747 77 N CB -1.281 37.338 38.487 0.219 0.000 0.895 77 N HN 0.462 nan 8.380 nan 0.000 0.543 78 N N 0.602 119.376 118.700 0.123 0.000 2.345 78 N HA 0.381 5.122 4.740 0.002 0.000 0.258 78 N C 1.477 176.959 175.510 -0.046 0.000 1.324 78 N CA 0.847 53.936 53.050 0.065 0.000 0.910 78 N CB -0.680 37.838 38.487 0.052 0.000 1.108 78 N HN 0.508 nan 8.380 nan 0.000 0.423 79 G N 1.194 109.948 108.800 -0.077 0.000 2.914 79 G HA2 -0.191 3.771 3.960 0.002 0.000 0.254 79 G HA3 -0.191 3.771 3.960 0.002 0.000 0.254 79 G C -2.556 172.097 174.900 -0.412 0.000 1.449 79 G CA -0.467 44.529 45.100 -0.172 0.000 0.925 79 G HN 0.432 nan 8.290 nan 0.000 0.555 80 P HA 0.368 nan 4.420 nan 0.000 0.276 80 P C -0.621 176.215 177.300 -0.774 0.000 1.244 80 P CA -0.187 62.584 63.100 -0.549 0.000 0.801 80 P CB 0.965 32.391 31.700 -0.456 0.000 1.006 81 H N -0.520 118.348 119.070 -0.337 0.000 2.771 81 H HA 0.302 4.859 4.556 0.002 0.000 0.367 81 H C -0.126 174.997 175.328 -0.342 0.000 1.172 81 H CA -0.513 55.355 56.048 -0.299 0.000 1.186 81 H CB 0.564 30.248 29.762 -0.130 0.000 1.790 81 H HN 0.428 nan 8.280 nan 0.000 0.556 82 Y N 1.834 122.076 120.300 -0.097 0.000 2.497 82 Y HA 0.037 4.588 4.550 0.002 0.000 0.334 82 Y C -1.262 174.504 175.900 -0.223 0.000 1.199 82 Y CA -1.640 56.342 58.100 -0.196 0.000 1.425 82 Y CB 0.589 38.961 38.460 -0.146 0.000 1.291 82 Y HN 0.325 nan 8.280 nan 0.000 0.562 83 P HA 0.045 nan 4.420 nan 0.000 0.231 83 P C -0.849 176.308 177.300 -0.238 0.000 1.756 83 P CA 0.408 63.413 63.100 -0.158 0.000 0.990 83 P CB -0.500 31.071 31.700 -0.216 0.000 1.973 84 L N 1.668 122.742 121.223 -0.248 0.000 2.371 84 L HA 0.254 4.595 4.340 0.002 0.000 0.272 84 L C 0.963 177.725 176.870 -0.181 0.000 1.124 84 L CA -0.376 54.208 54.840 -0.427 0.000 0.816 84 L CB 0.214 41.982 42.059 -0.485 0.000 1.129 84 L HN 0.070 nan 8.230 nan 0.000 0.448 85 N N 4.335 122.955 118.700 -0.134 0.000 2.469 85 N HA 0.356 5.097 4.740 0.002 0.000 0.239 85 N C -0.625 174.986 175.510 0.169 0.000 1.053 85 N CA 0.011 53.076 53.050 0.025 0.000 0.937 85 N CB 1.006 39.497 38.487 0.007 0.000 1.163 85 N HN 0.442 nan 8.380 nan 0.000 0.509 86 I N 3.524 124.174 120.570 0.133 0.000 2.337 86 I HA 0.242 4.413 4.170 0.002 0.000 0.285 86 I C 0.291 176.468 176.117 0.099 0.000 1.041 86 I CA -0.559 60.836 61.300 0.159 0.000 1.199 86 I CB 0.902 39.018 38.000 0.193 0.000 1.370 86 I HN 0.143 nan 8.210 nan 0.000 0.470 87 L N 5.940 127.206 121.223 0.072 0.000 2.397 87 L HA 0.193 4.534 4.340 0.002 0.000 0.271 87 L C 1.193 178.109 176.870 0.077 0.000 1.148 87 L CA -0.311 54.562 54.840 0.054 0.000 0.825 87 L CB 0.698 42.773 42.059 0.028 0.000 1.117 87 L HN 0.601 nan 8.230 nan 0.000 0.456 88 Q N 1.417 121.256 119.800 0.065 0.000 2.356 88 Q HA 0.021 4.362 4.340 0.002 0.000 0.205 88 Q C -0.143 175.898 176.000 0.069 0.000 0.901 88 Q CA 0.365 56.212 55.803 0.073 0.000 0.938 88 Q CB 0.452 29.222 28.738 0.054 0.000 1.081 88 Q HN 0.719 nan 8.270 nan 0.000 0.517 89 D N -0.472 119.960 120.400 0.053 0.000 2.957 89 D HA 0.121 4.763 4.640 0.002 0.000 0.352 89 D C -0.172 176.148 176.300 0.034 0.000 1.352 89 D CA -0.422 53.603 54.000 0.043 0.000 0.831 89 D CB 0.087 40.904 40.800 0.028 0.000 1.147 89 D HN -0.269 nan 8.370 nan 0.000 0.467 90 V N 0.829 120.771 119.914 0.046 0.000 2.583 90 V HA 0.089 4.211 4.120 0.002 0.000 0.287 90 V C 0.823 176.925 176.094 0.014 0.000 1.051 90 V CA -0.682 61.634 62.300 0.026 0.000 1.010 90 V CB 1.507 33.350 31.823 0.033 0.000 0.988 90 V HN 0.228 nan 8.190 nan 0.000 0.478 91 K N 4.728 125.119 120.400 -0.014 0.000 2.363 91 K HA 0.380 4.702 4.320 0.002 0.000 0.289 91 K C -0.550 176.001 176.600 -0.082 0.000 1.063 91 K CA -0.216 56.048 56.287 -0.038 0.000 0.967 91 K CB 0.483 32.960 32.500 -0.039 0.000 0.987 91 K HN 0.640 nan 8.250 nan 0.000 0.473 92 V N 0.659 120.502 119.914 -0.119 0.000 3.074 92 V HA 0.607 4.729 4.120 0.002 0.000 0.314 92 V C -0.659 175.276 176.094 -0.265 0.000 1.117 92 V CA -0.700 61.437 62.300 -0.272 0.000 1.014 92 V CB 2.071 33.618 31.823 -0.460 0.000 1.057 92 V HN 0.610 nan 8.190 nan 0.000 0.438 93 T N 3.899 118.237 114.554 -0.361 0.000 2.815 93 T HA 0.631 4.982 4.350 0.002 0.000 0.289 93 T C -0.434 174.095 174.700 -0.284 0.000 1.000 93 T CA -0.020 61.931 62.100 -0.247 0.000 0.958 93 T CB 0.579 69.340 68.868 -0.180 0.000 0.944 93 T HN 0.635 nan 8.240 nan 0.000 0.442 94 I N 3.225 123.696 120.570 -0.165 0.000 2.339 94 I HA 0.404 4.575 4.170 0.002 0.000 0.290 94 I C 0.291 176.381 176.117 -0.044 0.000 0.994 94 I CA -0.552 60.702 61.300 -0.076 0.000 1.191 94 I CB 1.412 39.431 38.000 0.031 0.000 1.343 94 I HN 0.536 nan 8.210 nan 0.000 0.458 95 E N 5.923 126.097 120.200 -0.042 0.000 2.220 95 E HA 0.270 4.621 4.350 0.002 0.000 0.256 95 E C -1.174 175.421 176.600 -0.007 0.000 0.881 95 E CA -0.670 55.714 56.400 -0.027 0.000 0.766 95 E CB 1.248 30.923 29.700 -0.041 0.000 1.187 95 E HN 0.515 nan 8.360 nan 0.000 0.419 96 N N 3.332 122.035 118.700 0.005 0.000 2.476 96 N HA 0.259 5.000 4.740 0.002 0.000 0.257 96 N C -1.000 174.515 175.510 0.008 0.000 0.970 96 N CA -0.143 52.914 53.050 0.011 0.000 0.938 96 N CB 1.270 39.767 38.487 0.017 0.000 1.144 96 N HN 0.518 nan 8.380 nan 0.000 0.500 97 T N -0.004 114.558 114.554 0.013 0.000 2.768 97 T HA 0.356 4.707 4.350 0.002 0.000 0.268 97 T C 0.945 175.624 174.700 -0.036 0.000 0.969 97 T CA -0.393 61.706 62.100 -0.002 0.000 1.008 97 T CB 0.814 69.694 68.868 0.020 0.000 1.371 97 T HN 0.234 nan 8.240 nan 0.000 0.587 98 E N -0.055 120.112 120.200 -0.056 0.000 2.150 98 E HA -0.004 4.347 4.350 0.002 0.000 0.193 98 E C 2.147 178.658 176.600 -0.149 0.000 0.985 98 E CA 1.335 57.685 56.400 -0.083 0.000 0.814 98 E CB -0.032 29.625 29.700 -0.072 0.000 0.752 98 E HN 0.596 nan 8.360 nan 0.000 0.466 99 R N -1.947 118.400 120.500 -0.254 0.000 2.167 99 R HA 0.183 4.525 4.340 0.002 0.000 0.201 99 R C 0.107 176.025 176.300 -0.635 0.000 1.024 99 R CA 0.389 56.169 56.100 -0.534 0.000 1.053 99 R CB 0.404 30.169 30.300 -0.891 0.000 0.987 99 R HN 0.092 nan 8.270 nan 0.000 0.493 100 Y N -0.891 119.368 120.300 -0.069 0.000 2.662 100 Y HA 0.686 5.238 4.550 0.002 0.000 0.335 100 Y C -0.585 175.253 175.900 -0.103 0.000 1.066 100 Y CA -1.673 56.364 58.100 -0.105 0.000 1.116 100 Y CB 1.689 40.076 38.460 -0.121 0.000 1.308 100 Y HN -0.171 nan 8.280 nan 0.000 0.502 101 A N 1.319 124.172 122.820 0.054 0.000 2.466 101 A HA 0.538 4.859 4.320 0.002 0.000 0.291 101 A C -1.245 176.257 177.584 -0.136 0.000 1.234 101 A CA -0.488 51.525 52.037 -0.040 0.000 0.752 101 A CB 0.690 19.654 19.000 -0.060 0.000 1.153 101 A HN 0.730 nan 8.150 nan 0.000 0.458 102 E N 2.028 122.163 120.200 -0.107 0.000 2.187 102 E HA 0.626 4.977 4.350 0.002 0.000 0.268 102 E C -1.744 174.800 176.600 -0.092 0.000 0.896 102 E CA -0.559 55.745 56.400 -0.160 0.000 0.766 102 E CB 1.268 30.872 29.700 -0.160 0.000 1.142 102 E HN 0.520 nan 8.360 nan 0.000 0.408 103 F N 4.222 124.008 119.950 -0.273 0.000 2.467 103 F HA 0.489 5.018 4.527 0.002 0.000 0.336 103 F C -1.053 174.682 175.800 -0.108 0.000 1.123 103 F CA -0.638 57.264 58.000 -0.164 0.000 0.964 103 F CB 1.125 40.025 39.000 -0.167 0.000 1.136 103 F HN 0.302 nan 8.300 nan 0.000 0.447 104 K N 4.168 124.233 120.400 -0.558 0.000 2.443 104 K HA 0.541 4.862 4.320 0.002 0.000 0.252 104 K C -1.628 174.737 176.600 -0.391 0.000 0.933 104 K CA -0.649 55.446 56.287 -0.320 0.000 0.792 104 K CB 1.854 34.232 32.500 -0.203 0.000 1.185 104 K HN 0.591 nan 8.250 nan 0.000 0.425 105 S N 3.044 118.651 115.700 -0.156 0.000 2.707 105 S HA 0.614 5.085 4.470 0.002 0.000 0.312 105 S C 0.256 174.826 174.600 -0.051 0.000 1.116 105 S CA 0.552 58.693 58.200 -0.099 0.000 1.078 105 S CB 0.648 63.861 63.200 0.022 0.000 0.997 105 S HN 1.071 nan 8.310 nan 0.000 0.477 106 G N 5.354 114.116 108.800 -0.064 0.000 2.543 106 G HA2 -0.295 3.666 3.960 0.002 0.000 0.286 106 G HA3 -0.295 3.666 3.960 0.002 0.000 0.286 106 G C 0.485 175.361 174.900 -0.040 0.000 1.153 106 G CA 0.382 45.455 45.100 -0.044 0.000 0.968 106 G HN 0.657 nan 8.290 nan 0.000 0.544 107 N N 0.678 119.364 118.700 -0.023 0.000 2.236 107 N HA 0.184 4.926 4.740 0.002 0.000 0.196 107 N C 0.517 176.024 175.510 -0.005 0.000 1.114 107 N CA 0.098 53.137 53.050 -0.018 0.000 0.859 107 N CB 0.668 39.150 38.487 -0.009 0.000 0.982 107 N HN 0.426 nan 8.380 nan 0.000 0.493 108 L N 1.996 123.225 121.223 0.010 0.000 2.264 108 L HA 0.283 4.625 4.340 0.002 0.000 0.289 108 L C -0.164 176.743 176.870 0.062 0.000 1.044 108 L CA -0.058 54.811 54.840 0.048 0.000 0.807 108 L CB 0.989 43.091 42.059 0.072 0.000 1.192 108 L HN 0.010 nan 8.230 nan 0.000 0.425 109 S N 3.782 119.520 115.700 0.063 0.000 2.568 109 S HA 0.859 5.330 4.470 0.002 0.000 0.293 109 S C -0.731 173.901 174.600 0.053 0.000 1.089 109 S CA -0.713 57.512 58.200 0.041 0.000 0.945 109 S CB 2.168 65.332 63.200 -0.061 0.000 1.077 109 S HN 0.756 nan 8.310 nan 0.000 0.485 110 A N 1.989 124.804 122.820 -0.009 0.000 2.304 110 A HA 0.797 5.118 4.320 0.002 0.000 0.314 110 A C -0.246 177.090 177.584 -0.413 0.000 1.187 110 A CA -0.806 51.078 52.037 -0.255 0.000 0.810 110 A CB 0.894 19.812 19.000 -0.136 0.000 1.183 110 A HN 0.877 nan 8.150 nan 0.000 0.487 111 R N 2.664 122.887 120.500 -0.461 0.000 2.480 111 R HA 0.603 4.945 4.340 0.002 0.000 0.306 111 R C -1.768 174.278 176.300 -0.422 0.000 0.958 111 R CA -0.345 55.506 56.100 -0.415 0.000 0.861 111 R CB 1.650 31.709 30.300 -0.402 0.000 1.171 111 R HN 0.483 nan 8.270 nan 0.000 0.445 112 V N 3.209 122.889 119.914 -0.390 0.000 2.394 112 V HA 0.298 4.419 4.120 0.002 0.000 0.282 112 V C -0.041 175.897 176.094 -0.261 0.000 1.031 112 V CA -0.593 61.433 62.300 -0.456 0.000 0.881 112 V CB 1.768 33.319 31.823 -0.453 0.000 0.982 112 V HN 0.787 nan 8.190 nan 0.000 0.451 113 S N 4.738 120.256 115.700 -0.303 0.000 2.513 113 S HA 0.402 4.873 4.470 0.002 0.000 0.276 113 S C 0.061 174.585 174.600 -0.126 0.000 1.254 113 S CA -0.655 57.494 58.200 -0.086 0.000 1.053 113 S CB 0.680 63.863 63.200 -0.028 0.000 0.958 113 S HN 0.634 nan 8.310 nan 0.000 0.491 114 K N 1.324 121.668 120.400 -0.093 0.000 2.127 114 K HA 0.692 5.013 4.320 0.002 0.000 0.240 114 K C 0.812 177.401 176.600 -0.017 0.000 1.024 114 K CA -0.241 56.028 56.287 -0.030 0.000 0.918 114 K CB 0.641 33.108 32.500 -0.057 0.000 1.108 114 K HN 0.858 nan 8.250 nan 0.000 0.485 115 G N 0.598 109.403 108.800 0.009 0.000 2.627 115 G HA2 -0.266 3.695 3.960 0.002 0.000 0.214 115 G HA3 -0.266 3.695 3.960 0.002 0.000 0.214 115 G C 0.472 175.343 174.900 -0.048 0.000 1.331 115 G CA 0.154 45.237 45.100 -0.028 0.000 0.891 115 G HN 0.732 nan 8.290 nan 0.000 0.539 116 E N -0.927 119.147 120.200 -0.211 0.000 2.204 116 E HA 0.023 4.374 4.350 0.002 0.000 0.194 116 E C 0.437 176.770 176.600 -0.446 0.000 0.989 116 E CA 0.742 56.897 56.400 -0.407 0.000 0.824 116 E CB -0.075 29.203 29.700 -0.703 0.000 0.756 116 E HN 0.299 nan 8.360 nan 0.000 0.477 117 F N 1.352 121.348 119.950 0.077 0.000 2.359 117 F HA 0.167 4.695 4.527 0.002 0.000 0.355 117 F C 0.192 176.067 175.800 0.126 0.000 1.132 117 F CA -1.021 57.035 58.000 0.093 0.000 1.246 117 F CB -0.125 38.903 39.000 0.047 0.000 1.569 117 F HN 0.081 nan 8.300 nan 0.000 0.561 118 W N 2.847 124.227 121.300 0.133 0.000 2.209 118 W HA 0.336 4.997 4.660 0.002 0.000 0.344 118 W C -0.513 176.064 176.519 0.096 0.000 1.285 118 W CA 0.519 57.921 57.345 0.095 0.000 1.267 118 W CB 1.146 30.646 29.460 0.066 0.000 1.167 118 W HN 0.395 nan 8.180 nan 0.000 0.574 119 S N 5.918 121.161 115.700 -0.761 0.000 2.556 119 S HA 0.442 4.913 4.470 0.002 0.000 0.280 119 S C -1.825 172.353 174.600 -0.704 0.000 1.141 119 S CA -0.855 57.056 58.200 -0.482 0.000 0.883 119 S CB 0.778 63.881 63.200 -0.161 0.000 1.103 119 S HN 0.550 nan 8.310 nan 0.000 0.453 120 L N 4.144 125.132 121.223 -0.392 0.000 2.377 120 L HA 0.614 4.956 4.340 0.002 0.000 0.270 120 L C -1.559 175.107 176.870 -0.340 0.000 0.991 120 L CA -0.372 54.251 54.840 -0.362 0.000 0.851 120 L CB 0.978 42.977 42.059 -0.100 0.000 1.218 120 L HN 0.678 nan 8.230 nan 0.000 0.420 121 D N 4.606 124.742 120.400 -0.440 0.000 2.350 121 D HA 0.396 5.037 4.640 0.002 0.000 0.245 121 D C -1.066 174.909 176.300 -0.541 0.000 1.036 121 D CA -0.037 53.740 54.000 -0.371 0.000 0.848 121 D CB 2.317 42.976 40.800 -0.235 0.000 1.307 121 D HN 0.204 nan 8.370 nan 0.000 0.469 122 F N 1.278 121.190 119.950 -0.064 0.000 2.411 122 F HA 0.344 4.873 4.527 0.002 0.000 0.352 122 F C -0.179 175.563 175.800 -0.097 0.000 1.123 122 F CA -0.833 57.126 58.000 -0.068 0.000 1.044 122 F CB 1.063 40.020 39.000 -0.073 0.000 1.135 122 F HN -0.040 nan 8.300 nan 0.000 0.461 123 L N 3.401 124.653 121.223 0.048 0.000 2.333 123 L HA 0.563 4.905 4.340 0.002 0.000 0.269 123 L C -0.317 176.560 176.870 0.011 0.000 1.010 123 L CA -1.121 53.715 54.840 -0.007 0.000 0.818 123 L CB 1.935 43.949 42.059 -0.075 0.000 1.306 123 L HN 0.520 nan 8.230 nan 0.000 0.430 124 R N 2.037 122.538 120.500 0.001 0.000 2.358 124 R HA 0.374 4.716 4.340 0.002 0.000 0.309 124 R C -0.515 175.779 176.300 -0.010 0.000 1.026 124 R CA -0.233 55.871 56.100 0.007 0.000 0.909 124 R CB -0.036 30.279 30.300 0.024 0.000 1.153 124 R HN 0.806 nan 8.270 nan 0.000 0.515 125 N N 3.168 121.856 118.700 -0.021 0.000 2.725 125 N HA -0.248 4.493 4.740 0.002 0.000 0.251 125 N C 0.601 176.088 175.510 -0.040 0.000 1.031 125 N CA 0.593 53.625 53.050 -0.030 0.000 0.720 125 N CB -0.605 37.870 38.487 -0.020 0.000 0.930 125 N HN 1.081 nan 8.380 nan 0.000 0.543 126 G N -1.122 107.644 108.800 -0.057 0.000 2.267 126 G HA2 -0.342 3.620 3.960 0.002 0.000 0.257 126 G HA3 -0.342 3.620 3.960 0.002 0.000 0.257 126 G C -0.146 174.714 174.900 -0.067 0.000 0.998 126 G CA 0.566 45.621 45.100 -0.076 0.000 0.620 126 G HN 0.437 nan 8.290 nan 0.000 0.529 127 E N 0.920 121.096 120.200 -0.040 0.000 2.200 127 E HA 0.367 4.719 4.350 0.002 0.000 0.283 127 E C 0.617 177.203 176.600 -0.023 0.000 1.015 127 E CA -0.716 55.667 56.400 -0.028 0.000 0.819 127 E CB 1.232 30.927 29.700 -0.009 0.000 1.081 127 E HN 0.505 nan 8.360 nan 0.000 0.397 128 R N 3.218 123.701 120.500 -0.028 0.000 2.449 128 R HA 0.046 4.388 4.340 0.002 0.000 0.296 128 R C 1.156 177.458 176.300 0.005 0.000 1.047 128 R CA 0.197 56.285 56.100 -0.019 0.000 1.018 128 R CB 0.099 30.383 30.300 -0.025 0.000 0.962 128 R HN 0.635 nan 8.270 nan 0.000 0.428 129 I N -0.555 120.012 120.570 -0.004 0.000 4.187 129 I HA 0.322 4.494 4.170 0.002 0.000 0.326 129 I C 0.476 176.554 176.117 -0.065 0.000 1.302 129 I CA -0.335 60.957 61.300 -0.013 0.000 1.196 129 I CB 0.931 38.900 38.000 -0.052 0.000 1.095 129 I HN 0.542 nan 8.210 nan 0.000 0.411 130 T N -0.776 113.746 114.554 -0.053 0.000 2.648 130 T HA 0.640 4.992 4.350 0.002 0.000 0.300 130 T C -1.177 173.626 174.700 0.172 0.000 1.751 130 T CA 0.084 62.192 62.100 0.013 0.000 0.959 130 T CB 1.195 69.956 68.868 -0.179 0.000 1.888 130 T HN 0.674 nan 8.240 nan 0.000 0.480 131 G N 0.476 109.424 108.800 0.247 0.000 2.313 131 G HA2 0.474 4.435 3.960 0.002 0.000 0.296 131 G HA3 0.474 4.435 3.960 0.002 0.000 0.296 131 G C -1.451 173.574 174.900 0.208 0.000 1.356 131 G CA 0.344 45.602 45.100 0.264 0.000 0.833 131 G HN 1.009 nan 8.290 nan 0.000 0.552 132 S N -0.614 115.188 115.700 0.170 0.000 2.478 132 S HA 0.605 5.076 4.470 0.002 0.000 0.312 132 S C -0.124 174.560 174.600 0.140 0.000 1.094 132 S CA -0.384 57.909 58.200 0.155 0.000 1.081 132 S CB 1.165 64.485 63.200 0.201 0.000 1.007 132 S HN 0.563 nan 8.310 nan 0.000 0.475 133 Q N 2.134 122.004 119.800 0.117 0.000 2.260 133 Q HA 0.362 4.703 4.340 0.002 0.000 0.242 133 Q C -0.050 176.055 176.000 0.176 0.000 0.932 133 Q CA -0.573 55.307 55.803 0.128 0.000 0.891 133 Q CB 1.540 30.323 28.738 0.075 0.000 1.222 133 Q HN 0.638 nan 8.270 nan 0.000 0.453 134 V N 3.846 123.918 119.914 0.263 0.000 2.752 134 V HA -0.182 3.939 4.120 0.002 0.000 0.306 134 V C 0.140 176.220 176.094 -0.024 0.000 1.099 134 V CA 0.965 63.396 62.300 0.218 0.000 1.240 134 V CB -0.082 31.900 31.823 0.264 0.000 0.887 134 V HN 0.856 nan 8.190 nan 0.000 0.499 135 K N 3.328 123.600 120.400 -0.212 0.000 3.553 135 K HA -0.171 4.150 4.320 0.002 0.000 0.303 135 K C 0.621 177.114 176.600 -0.179 0.000 1.327 135 K CA 1.421 57.381 56.287 -0.545 0.000 0.983 135 K CB -2.067 30.154 32.500 -0.465 0.000 1.275 135 K HN 0.872 nan 8.250 nan 0.000 0.453 136 N N 1.462 120.149 118.700 -0.021 0.000 2.235 136 N HA -0.003 4.738 4.740 0.002 0.000 0.209 136 N C -0.019 175.460 175.510 -0.052 0.000 1.122 136 N CA 0.232 53.342 53.050 0.099 0.000 0.845 136 N CB 0.289 38.815 38.487 0.065 0.000 1.004 136 N HN 0.548 nan 8.380 nan 0.000 0.499 137 N N -0.808 117.663 118.700 -0.382 0.000 2.732 137 N HA 0.642 5.383 4.740 0.002 0.000 0.259 137 N C 0.010 174.876 175.510 -1.074 0.000 1.402 137 N CA -0.465 51.954 53.050 -1.052 0.000 0.829 137 N CB 1.485 39.669 38.487 -0.506 0.000 1.495 137 N HN -0.015 nan 8.380 nan 0.000 0.511 138 G N -1.539 106.558 108.800 -1.171 0.000 2.302 138 G HA2 0.174 4.135 3.960 0.002 0.000 0.264 138 G HA3 0.174 4.135 3.960 0.002 0.000 0.264 138 G C -2.397 172.412 174.900 -0.152 0.000 1.335 138 G CA -0.814 43.875 45.100 -0.684 0.000 0.982 138 G HN 0.703 nan 8.290 nan 0.000 0.473 139 Y N 0.180 120.489 120.300 0.014 0.000 2.360 139 Y HA 0.665 5.216 4.550 0.002 0.000 0.337 139 Y C -0.136 175.799 175.900 0.058 0.000 1.039 139 Y CA -0.931 57.200 58.100 0.051 0.000 1.109 139 Y CB 2.102 40.503 38.460 -0.099 0.000 1.201 139 Y HN 0.461 nan 8.280 nan 0.000 0.458 140 V N 6.909 126.640 119.914 -0.306 0.000 2.350 140 V HA 0.246 4.367 4.120 0.002 0.000 0.285 140 V C -0.497 175.321 176.094 -0.461 0.000 1.014 140 V CA -0.807 61.343 62.300 -0.250 0.000 0.831 140 V CB 1.254 33.026 31.823 -0.085 0.000 1.000 140 V HN 0.746 nan 8.190 nan 0.000 0.433 141 Q N 3.796 123.377 119.800 -0.366 0.000 2.406 141 Q HA 0.170 4.511 4.340 0.002 0.000 0.242 141 Q C -0.537 175.398 176.000 -0.109 0.000 1.036 141 Q CA -0.451 55.192 55.803 -0.267 0.000 0.904 141 Q CB 0.704 29.367 28.738 -0.126 0.000 1.244 141 Q HN 0.754 nan 8.270 nan 0.000 0.478 142 D N 3.249 123.618 120.400 -0.051 0.000 2.365 142 D HA 0.002 4.644 4.640 0.002 0.000 0.237 142 D C 0.915 177.213 176.300 -0.003 0.000 1.190 142 D CA 0.024 54.025 54.000 0.002 0.000 0.867 142 D CB 1.285 42.154 40.800 0.115 0.000 1.050 142 D HN 0.687 nan 8.370 nan 0.000 0.491 143 T N 0.914 115.461 114.554 -0.011 0.000 3.113 143 T HA -0.036 4.315 4.350 0.002 0.000 0.256 143 T C 1.211 175.911 174.700 -0.000 0.000 1.131 143 T CA 0.233 62.331 62.100 -0.003 0.000 1.074 143 T CB 0.112 68.979 68.868 -0.002 0.000 0.944 143 T HN 0.219 nan 8.240 nan 0.000 0.516 144 N N 3.136 121.834 118.700 -0.003 0.000 2.171 144 N HA -0.059 4.682 4.740 0.002 0.000 0.184 144 N C 1.367 176.880 175.510 0.004 0.000 1.021 144 N CA 1.517 54.565 53.050 -0.003 0.000 0.854 144 N CB -0.274 38.205 38.487 -0.012 0.000 0.994 144 N HN 0.726 nan 8.380 nan 0.000 0.426 145 N N -0.101 118.607 118.700 0.013 0.000 2.177 145 N HA 0.049 4.790 4.740 0.002 0.000 0.218 145 N C -0.298 175.220 175.510 0.012 0.000 1.182 145 N CA 0.040 53.100 53.050 0.017 0.000 0.882 145 N CB 0.392 38.897 38.487 0.030 0.000 1.052 145 N HN -0.231 nan 8.380 nan 0.000 0.519 146 Q N -0.478 119.327 119.800 0.008 0.000 2.494 146 Q HA -0.190 4.152 4.340 0.002 0.000 0.266 146 Q C -0.943 175.041 176.000 -0.026 0.000 1.053 146 Q CA 0.911 56.714 55.803 -0.000 0.000 1.029 146 Q CB -1.572 27.169 28.738 0.006 0.000 1.423 146 Q HN 0.584 nan 8.270 nan 0.000 0.516 147 R N 0.134 120.608 120.500 -0.044 0.000 2.787 147 R HA 0.638 4.980 4.340 0.002 0.000 0.271 147 R C -0.330 175.805 176.300 -0.275 0.000 0.993 147 R CA -0.956 55.041 56.100 -0.172 0.000 0.993 147 R CB 1.186 31.355 30.300 -0.217 0.000 1.155 147 R HN 0.028 nan 8.270 nan 0.000 0.486 148 N N 1.135 119.551 118.700 -0.474 0.000 2.258 148 N HA 0.367 5.108 4.740 0.002 0.000 0.299 148 N C -1.321 173.766 175.510 -0.704 0.000 1.047 148 N CA -0.388 52.356 53.050 -0.510 0.000 0.814 148 N CB 1.813 40.109 38.487 -0.318 0.000 1.413 148 N HN 0.385 nan 8.380 nan 0.000 0.478 152 E N 1.227 121.174 120.200 -0.423 0.000 2.383 152 E HA 0.672 5.023 4.350 0.002 0.000 0.275 152 E C -1.826 174.399 176.600 -0.625 0.000 0.918 152 E CA -0.782 55.224 56.400 -0.657 0.000 0.764 152 E CB 2.265 31.432 29.700 -0.889 0.000 1.252 152 E HN 0.743 nan 8.360 nan 0.000 0.449 153 R N 2.996 123.287 120.500 -0.348 0.000 2.507 153 R HA 0.444 4.785 4.340 0.002 0.000 0.298 153 R C -0.862 175.389 176.300 -0.082 0.000 1.087 153 R CA -0.525 55.467 56.100 -0.179 0.000 0.917 153 R CB 0.968 31.262 30.300 -0.010 0.000 1.173 153 R HN 0.426 nan 8.270 nan 0.000 0.472 154 L N 2.973 124.185 121.223 -0.018 0.000 2.275 154 L HA 0.326 4.668 4.340 0.002 0.000 0.288 154 L C 0.002 176.957 176.870 0.142 0.000 1.046 154 L CA -0.923 53.994 54.840 0.128 0.000 0.805 154 L CB 1.206 43.413 42.059 0.246 0.000 1.193 154 L HN 0.401 nan 8.230 nan 0.000 0.426 155 D N 2.482 122.962 120.400 0.133 0.000 2.419 155 D HA 0.264 4.905 4.640 0.002 0.000 0.236 155 D C -0.414 175.973 176.300 0.144 0.000 1.165 155 D CA 0.226 54.292 54.000 0.109 0.000 0.882 155 D CB 0.977 41.831 40.800 0.090 0.000 1.201 155 D HN 0.014 nan 8.370 nan 0.000 0.443 156 L N 0.769 122.051 121.223 0.099 0.000 2.386 156 L HA 0.551 4.893 4.340 0.002 0.000 0.271 156 L C 0.674 177.587 176.870 0.072 0.000 0.993 156 L CA -0.472 54.426 54.840 0.097 0.000 0.819 156 L CB 1.871 43.953 42.059 0.038 0.000 1.294 156 L HN 0.421 nan 8.230 nan 0.000 0.414 157 G N 1.900 110.749 108.800 0.082 0.000 2.531 157 G HA2 0.495 4.456 3.960 0.002 0.000 0.313 157 G HA3 0.495 4.456 3.960 0.002 0.000 0.313 157 G C -0.789 174.135 174.900 0.040 0.000 1.238 157 G CA -0.670 44.466 45.100 0.060 0.000 0.994 157 G HN 0.359 nan 8.290 nan 0.000 0.493 158 V N 0.942 120.876 119.914 0.032 0.000 2.509 158 V HA 0.346 4.468 4.120 0.002 0.000 0.297 158 V C 1.634 177.746 176.094 0.029 0.000 1.014 158 V CA 1.759 64.074 62.300 0.025 0.000 1.127 158 V CB 0.176 32.012 31.823 0.022 0.000 0.925 158 V HN 1.808 nan 8.190 nan 0.000 0.480 159 G N 3.631 112.448 108.800 0.027 0.000 2.148 159 G HA2 -0.276 3.686 3.960 0.002 0.000 0.254 159 G HA3 -0.276 3.686 3.960 0.002 0.000 0.254 159 G C 0.164 175.072 174.900 0.012 0.000 0.981 159 G CA 0.376 45.495 45.100 0.031 0.000 0.670 159 G HN 0.806 nan 8.290 nan 0.000 0.528 160 E N 1.610 121.815 120.200 0.009 0.000 2.223 160 E HA 0.481 4.832 4.350 0.002 0.000 0.282 160 E C 0.778 177.337 176.600 -0.067 0.000 1.046 160 E CA 0.266 56.664 56.400 -0.003 0.000 0.857 160 E CB 0.349 30.073 29.700 0.039 0.000 1.055 160 E HN 0.392 nan 8.360 nan 0.000 0.409 161 T N 0.441 114.925 114.554 -0.116 0.000 2.895 161 T HA 0.523 4.875 4.350 0.002 0.000 0.283 161 T C -0.161 174.317 174.700 -0.369 0.000 1.014 161 T CA -0.910 61.011 62.100 -0.299 0.000 1.037 161 T CB 1.523 70.112 68.868 -0.464 0.000 1.006 161 T HN 0.128 nan 8.240 nan 0.000 0.468 162 V N 2.934 122.522 119.914 -0.544 0.000 2.547 162 V HA 0.593 4.714 4.120 0.002 0.000 0.299 162 V C -1.107 174.558 176.094 -0.714 0.000 1.040 162 V CA -0.787 61.233 62.300 -0.466 0.000 0.913 162 V CB 0.820 32.386 31.823 -0.429 0.000 0.992 162 V HN 0.951 nan 8.190 nan 0.000 0.449 163 Y N 1.259 121.429 120.300 -0.217 0.000 2.609 163 Y HA 0.847 5.399 4.550 0.002 0.000 0.342 163 Y C 0.798 176.560 175.900 -0.230 0.000 1.058 163 Y CA 0.246 58.219 58.100 -0.212 0.000 1.055 163 Y CB 2.204 40.549 38.460 -0.192 0.000 1.292 163 Y HN 0.969 nan 8.280 nan 0.000 0.476 164 G N 0.112 108.881 108.800 -0.051 0.000 2.601 164 G HA2 -0.068 3.893 3.960 0.002 0.000 0.224 164 G HA3 -0.068 3.893 3.960 0.002 0.000 0.224 164 G C -0.587 174.212 174.900 -0.168 0.000 1.171 164 G CA -0.324 44.708 45.100 -0.114 0.000 1.009 164 G HN 1.177 nan 8.290 nan 0.000 0.589 165 L N 0.258 121.373 121.223 -0.180 0.000 4.291 165 L HA 0.124 4.465 4.340 0.002 0.000 0.413 165 L C 1.820 178.618 176.870 -0.121 0.000 1.162 165 L CA 2.932 57.646 54.840 -0.210 0.000 0.961 165 L CB -1.748 40.108 42.059 -0.338 0.000 2.095 165 L HN 2.980 nan 8.230 nan 0.000 0.838 166 G N -0.908 107.835 108.800 -0.096 0.000 2.526 166 G HA2 -0.172 3.789 3.960 0.002 0.000 0.250 166 G HA3 -0.172 3.789 3.960 0.002 0.000 0.250 166 G C -0.239 174.517 174.900 -0.240 0.000 1.289 166 G CA -0.071 44.950 45.100 -0.131 0.000 0.947 166 G HN 0.474 nan 8.290 nan 0.000 0.517 167 E N 1.000 121.017 120.200 -0.304 0.000 1.932 167 E HA 0.382 4.733 4.350 0.002 0.000 0.275 167 E C 0.501 176.777 176.600 -0.541 0.000 1.159 167 E CA -0.175 55.965 56.400 -0.433 0.000 0.905 167 E CB -0.025 29.471 29.700 -0.339 0.000 1.059 167 E HN 0.450 nan 8.360 nan 0.000 0.400 168 R N 3.444 123.602 120.500 -0.571 0.000 2.711 168 R HA 0.295 4.636 4.340 0.002 0.000 0.284 168 R C -0.140 175.780 176.300 -0.634 0.000 0.968 168 R CA -0.650 55.151 56.100 -0.498 0.000 0.924 168 R CB 0.892 31.049 30.300 -0.237 0.000 1.162 168 R HN 0.495 nan 8.270 nan 0.000 0.465 169 F N -0.079 119.846 119.950 -0.042 0.000 2.664 169 F HA 0.048 4.576 4.527 0.002 0.000 0.303 169 F C 1.436 177.218 175.800 -0.030 0.000 1.092 169 F CA -0.390 57.593 58.000 -0.028 0.000 1.305 169 F CB 0.348 39.352 39.000 0.007 0.000 1.054 169 F HN 0.478 nan 8.300 nan 0.000 0.565 170 T N -1.101 113.488 114.554 0.058 0.000 2.771 170 T HA 0.608 4.959 4.350 0.002 0.000 0.290 170 T C 0.687 175.379 174.700 -0.014 0.000 1.005 170 T CA -0.681 61.434 62.100 0.026 0.000 0.944 170 T CB 0.797 69.663 68.868 -0.002 0.000 1.147 170 T HN 0.147 nan 8.240 nan 0.000 0.534 171 A N 0.508 123.316 122.820 -0.020 0.000 2.587 171 A HA 0.219 4.541 4.320 0.002 0.000 0.235 171 A C 1.430 178.983 177.584 -0.051 0.000 1.044 171 A CA -0.416 51.605 52.037 -0.026 0.000 0.754 171 A CB -0.646 18.342 19.000 -0.020 0.000 0.968 171 A HN 0.968 nan 8.150 nan 0.000 0.509 172 L N 3.894 125.095 121.223 -0.037 0.000 1.997 172 L HA -0.119 4.222 4.340 0.002 0.000 0.216 172 L C 1.098 177.893 176.870 -0.125 0.000 1.074 172 L CA 1.884 56.697 54.840 -0.045 0.000 0.763 172 L CB -0.376 41.697 42.059 0.023 0.000 0.890 172 L HN 0.495 nan 8.230 nan 0.000 0.434 173 V N 1.690 121.501 119.914 -0.172 0.000 2.455 173 V HA 0.079 4.200 4.120 0.002 0.000 0.273 173 V C 1.294 177.222 176.094 -0.277 0.000 1.045 173 V CA -0.382 61.669 62.300 -0.416 0.000 0.976 173 V CB 0.920 32.511 31.823 -0.385 0.000 0.993 173 V HN 0.332 nan 8.190 nan 0.000 0.475 174 R N 2.570 122.862 120.500 -0.348 0.000 2.280 174 R HA 0.025 4.367 4.340 0.002 0.000 0.207 174 R C 0.349 176.528 176.300 -0.201 0.000 1.043 174 R CA 0.000 55.950 56.100 -0.251 0.000 1.006 174 R CB -0.655 29.470 30.300 -0.291 0.000 0.885 174 R HN 0.655 nan 8.270 nan 0.000 0.467 175 N N 0.726 119.303 118.700 -0.205 0.000 2.359 175 N HA 0.104 4.846 4.740 0.002 0.000 0.261 175 N C 1.124 176.579 175.510 -0.091 0.000 1.267 175 N CA 1.484 54.451 53.050 -0.139 0.000 0.864 175 N CB 0.267 38.690 38.487 -0.108 0.000 1.063 175 N HN 0.343 nan 8.380 nan 0.000 0.474 176 G N 0.731 109.483 108.800 -0.080 0.000 2.194 176 G HA2 -0.262 3.700 3.960 0.002 0.000 0.236 176 G HA3 -0.262 3.700 3.960 0.002 0.000 0.236 176 G C -0.103 174.763 174.900 -0.058 0.000 0.987 176 G CA -0.248 44.815 45.100 -0.062 0.000 0.635 176 G HN 0.574 nan 8.290 nan 0.000 0.520 177 Q N 0.314 120.073 119.800 -0.068 0.000 2.226 177 Q HA 0.633 4.974 4.340 0.002 0.000 0.256 177 Q C -0.607 175.373 176.000 -0.033 0.000 0.962 177 Q CA -0.306 55.465 55.803 -0.054 0.000 0.887 177 Q CB 1.651 30.348 28.738 -0.068 0.000 1.282 177 Q HN 0.145 nan 8.270 nan 0.000 0.449 178 T N 1.287 115.833 114.554 -0.013 0.000 2.794 178 T HA 0.484 4.835 4.350 0.002 0.000 0.280 178 T C -0.870 173.852 174.700 0.036 0.000 0.987 178 T CA -0.446 61.665 62.100 0.017 0.000 0.993 178 T CB 0.884 69.755 68.868 0.005 0.000 0.939 178 T HN 0.233 nan 8.240 nan 0.000 0.449 179 V N 4.192 124.160 119.914 0.090 0.000 2.525 179 V HA 0.393 4.515 4.120 0.002 0.000 0.299 179 V C -0.696 175.525 176.094 0.213 0.000 1.034 179 V CA -0.932 61.428 62.300 0.099 0.000 0.863 179 V CB 2.032 33.855 31.823 0.000 0.000 0.999 179 V HN 0.773 nan 8.190 nan 0.000 0.423 180 E N 2.528 122.840 120.200 0.186 0.000 2.113 180 E HA 0.301 4.652 4.350 0.002 0.000 0.273 180 E C 0.098 176.880 176.600 0.303 0.000 0.924 180 E CA -0.473 56.066 56.400 0.231 0.000 0.764 180 E CB 1.764 31.553 29.700 0.148 0.000 1.104 180 E HN 0.763 nan 8.360 nan 0.000 0.406 181 T N 0.934 115.719 114.554 0.385 0.000 3.185 181 T HA 0.223 4.574 4.350 0.002 0.000 0.287 181 T C -0.211 174.802 174.700 0.522 0.000 1.051 181 T CA -0.697 61.641 62.100 0.397 0.000 1.051 181 T CB -0.223 68.904 68.868 0.432 0.000 1.034 181 T HN 0.434 nan 8.240 nan 0.000 0.685 182 W N 4.104 125.531 121.300 0.213 0.000 2.835 182 W HA 0.278 4.940 4.660 0.002 0.000 0.326 182 W C -1.331 175.371 176.519 0.304 0.000 1.024 182 W CA -1.007 56.485 57.345 0.244 0.000 1.267 182 W CB 1.272 30.806 29.460 0.124 0.000 1.267 182 W HN 0.373 nan 8.180 nan 0.000 0.412 183 N N 5.164 123.959 118.700 0.158 0.000 2.412 183 N HA 0.096 4.837 4.740 0.002 0.000 0.258 183 N C -0.286 175.339 175.510 0.192 0.000 1.236 183 N CA 0.768 53.901 53.050 0.138 0.000 0.882 183 N CB 0.548 39.046 38.487 0.018 0.000 1.066 183 N HN 0.370 nan 8.380 nan 0.000 0.465 184 R N 0.457 121.078 120.500 0.200 0.000 2.739 184 R HA 0.226 4.567 4.340 0.002 0.000 0.271 184 R C -1.326 175.068 176.300 0.156 0.000 1.010 184 R CA -0.817 55.414 56.100 0.219 0.000 0.897 184 R CB 1.536 31.976 30.300 0.234 0.000 1.236 184 R HN 0.357 nan 8.270 nan 0.000 0.466 185 D N 0.847 121.382 120.400 0.224 0.000 2.499 185 D HA 0.255 4.897 4.640 0.002 0.000 0.225 185 D C -0.036 176.334 176.300 0.117 0.000 1.124 185 D CA -0.056 54.091 54.000 0.244 0.000 0.938 185 D CB 0.746 41.763 40.800 0.362 0.000 1.014 185 D HN 0.751 nan 8.370 nan 0.000 0.517 186 G N 1.598 110.338 108.800 -0.100 0.000 4.100 186 G HA2 0.521 4.482 3.960 0.002 0.000 0.294 186 G HA3 0.521 4.482 3.960 0.002 0.000 0.294 186 G C 0.736 175.588 174.900 -0.080 0.000 1.040 186 G CA 0.082 45.160 45.100 -0.036 0.000 0.829 186 G HN 0.787 nan 8.290 nan 0.000 0.505 187 G N 0.215 108.967 108.800 -0.080 0.000 2.642 187 G HA2 0.029 3.991 3.960 0.002 0.000 0.231 187 G HA3 0.029 3.991 3.960 0.002 0.000 0.231 187 G C 0.660 175.419 174.900 -0.234 0.000 1.338 187 G CA 0.632 45.714 45.100 -0.029 0.000 0.883 187 G HN 1.302 nan 8.290 nan 0.000 0.570 188 T N -3.539 110.810 114.554 -0.341 0.000 3.252 188 T HA 0.577 4.928 4.350 0.002 0.000 0.286 188 T C 1.032 175.281 174.700 -0.751 0.000 1.013 188 T CA 1.067 62.554 62.100 -1.023 0.000 0.914 188 T CB -0.021 68.284 68.868 -0.939 0.000 1.131 188 T HN 1.921 nan 8.240 nan 0.000 0.529 189 S N 0.169 115.720 115.700 -0.248 0.000 2.941 189 S HA 0.392 4.863 4.470 0.002 0.000 0.251 189 S C 0.392 175.007 174.600 0.025 0.000 1.029 189 S CA -0.144 58.025 58.200 -0.052 0.000 1.062 189 S CB 0.061 63.283 63.200 0.037 0.000 0.977 189 S HN 0.698 nan 8.310 nan 0.000 0.552 190 T N -0.947 113.632 114.554 0.041 0.000 2.831 190 T HA 0.556 4.907 4.350 0.002 0.000 0.287 190 T C 0.410 175.171 174.700 0.102 0.000 1.070 190 T CA -0.554 61.585 62.100 0.064 0.000 1.010 190 T CB 1.259 70.154 68.868 0.046 0.000 1.264 190 T HN -0.019 nan 8.240 nan 0.000 0.532 191 E N -0.136 120.109 120.200 0.076 0.000 2.418 191 E HA 0.044 4.396 4.350 0.002 0.000 0.197 191 E C 0.627 177.276 176.600 0.082 0.000 1.026 191 E CA 0.597 57.040 56.400 0.072 0.000 0.862 191 E CB -0.482 29.248 29.700 0.051 0.000 0.799 191 E HN 0.640 nan 8.360 nan 0.000 0.518 192 Q N 0.317 120.166 119.800 0.081 0.000 2.417 192 Q HA 0.535 4.876 4.340 0.002 0.000 0.241 192 Q C -0.570 175.461 176.000 0.053 0.000 1.008 192 Q CA -0.040 55.806 55.803 0.071 0.000 0.901 192 Q CB 1.213 29.982 28.738 0.051 0.000 1.259 192 Q HN 0.272 nan 8.270 nan 0.000 0.489 193 A N 0.773 123.609 122.820 0.027 0.000 2.549 193 A HA 0.440 4.762 4.320 0.002 0.000 0.297 193 A C -1.096 176.496 177.584 0.014 0.000 1.061 193 A CA -0.681 51.360 52.037 0.006 0.000 0.690 193 A CB 0.520 19.535 19.000 0.025 0.000 1.287 193 A HN 0.807 nan 8.150 nan 0.000 0.402 194 Y N 0.691 121.087 120.300 0.160 0.000 2.365 194 Y HA 0.110 4.662 4.550 0.002 0.000 0.293 194 Y C 0.700 176.654 175.900 0.090 0.000 1.119 194 Y CA 1.006 59.182 58.100 0.127 0.000 1.203 194 Y CB 0.216 38.748 38.460 0.120 0.000 1.026 194 Y HN 0.482 nan 8.280 nan 0.000 0.549 195 K N 1.755 122.278 120.400 0.205 0.000 2.464 195 K HA 0.239 4.560 4.320 0.002 0.000 0.252 195 K C -1.066 175.544 176.600 0.016 0.000 1.000 195 K CA -0.328 55.991 56.287 0.054 0.000 0.951 195 K CB 0.705 33.126 32.500 -0.131 0.000 1.183 195 K HN 0.064 nan 8.250 nan 0.000 0.445 196 N N 3.672 122.429 118.700 0.094 0.000 2.430 196 N HA 0.423 5.164 4.740 0.002 0.000 0.292 196 N C -0.795 174.802 175.510 0.146 0.000 1.051 196 N CA -0.432 52.690 53.050 0.119 0.000 0.917 196 N CB 1.646 40.256 38.487 0.205 0.000 1.164 196 N HN 0.326 nan 8.380 nan 0.000 0.484 197 I N 3.192 123.835 120.570 0.121 0.000 2.529 197 I HA 0.208 4.380 4.170 0.002 0.000 0.284 197 I C -2.214 173.999 176.117 0.161 0.000 1.088 197 I CA -1.933 59.460 61.300 0.154 0.000 1.062 197 I CB 2.095 40.184 38.000 0.149 0.000 1.218 197 I HN 0.208 nan 8.210 nan 0.000 0.442 198 P HA 0.088 nan 4.420 nan 0.000 0.238 198 P C -0.589 176.898 177.300 0.311 0.000 1.714 198 P CA 0.272 63.599 63.100 0.378 0.000 0.908 198 P CB -0.568 31.464 31.700 0.554 0.000 1.893 199 F N 2.882 122.810 119.950 -0.036 0.000 2.547 199 F HA 0.547 5.075 4.527 0.002 0.000 0.316 199 F C -1.176 174.522 175.800 -0.170 0.000 1.121 199 F CA -1.289 56.622 58.000 -0.149 0.000 0.911 199 F CB 1.480 40.266 39.000 -0.357 0.000 1.179 199 F HN -0.017 nan 8.300 nan 0.000 0.443 203 N N 0.018 118.739 118.700 0.034 0.000 2.421 203 N HA 0.038 4.780 4.740 0.002 0.000 0.201 203 N C 0.617 176.120 175.510 -0.012 0.000 1.198 203 N CA -0.333 52.720 53.050 0.005 0.000 0.838 203 N CB -0.197 38.325 38.487 0.058 0.000 1.011 203 N HN 0.401 nan 8.380 nan 0.000 0.463 204 R N -0.120 120.361 120.500 -0.032 0.000 2.468 204 R HA 0.249 4.590 4.340 0.002 0.000 0.280 204 R C 0.749 177.098 176.300 0.082 0.000 0.963 204 R CA 0.129 56.261 56.100 0.053 0.000 1.083 204 R CB -0.538 29.859 30.300 0.163 0.000 1.200 204 R HN 0.385 nan 8.270 nan 0.000 0.541 205 G N 1.379 110.174 108.800 -0.010 0.000 2.149 205 G HA2 -0.310 3.651 3.960 0.002 0.000 0.235 205 G HA3 -0.310 3.651 3.960 0.002 0.000 0.235 205 G C -0.318 174.648 174.900 0.109 0.000 1.018 205 G CA 0.738 45.857 45.100 0.032 0.000 0.728 205 G HN 0.474 nan 8.290 nan 0.000 0.508 206 Y N -2.290 118.015 120.300 0.007 0.000 2.615 206 Y HA 0.805 5.357 4.550 0.002 0.000 0.341 206 Y C 0.252 176.122 175.900 -0.050 0.000 1.089 206 Y CA -1.233 56.864 58.100 -0.006 0.000 1.049 206 Y CB 0.943 39.397 38.460 -0.009 0.000 1.296 206 Y HN 0.697 nan 8.280 nan 0.000 0.470 207 G N 0.263 109.118 108.800 0.091 0.000 2.605 207 G HA2 0.649 4.610 3.960 0.002 0.000 0.296 207 G HA3 0.649 4.610 3.960 0.002 0.000 0.296 207 G C -2.223 172.617 174.900 -0.100 0.000 1.304 207 G CA -1.270 43.741 45.100 -0.148 0.000 0.941 207 G HN 0.742 nan 8.290 nan 0.000 0.475 208 V N 0.707 120.301 119.914 -0.533 0.000 2.623 208 V HA 0.512 4.633 4.120 0.002 0.000 0.304 208 V C -1.050 174.963 176.094 -0.134 0.000 1.054 208 V CA -0.688 61.393 62.300 -0.365 0.000 0.882 208 V CB 1.587 32.958 31.823 -0.753 0.000 1.002 208 V HN 0.747 nan 8.190 nan 0.000 0.424 209 L N 6.412 127.800 121.223 0.275 0.000 2.305 209 L HA 0.712 5.053 4.340 0.002 0.000 0.284 209 L C -0.538 176.551 176.870 0.364 0.000 1.013 209 L CA -0.078 55.025 54.840 0.439 0.000 0.819 209 L CB 1.811 44.241 42.059 0.618 0.000 1.227 209 L HN 0.442 nan 8.230 nan 0.000 0.417 210 V N 4.939 125.012 119.914 0.265 0.000 2.334 210 V HA 0.253 4.375 4.120 0.002 0.000 0.267 210 V C 0.431 176.761 176.094 0.393 0.000 1.040 210 V CA -0.536 61.892 62.300 0.214 0.000 0.866 210 V CB 0.697 32.506 31.823 -0.023 0.000 1.019 210 V HN 0.811 nan 8.190 nan 0.000 0.468 211 N N 4.670 123.581 118.700 0.353 0.000 2.971 211 N HA 0.040 4.781 4.740 0.002 0.000 0.294 211 N C -0.417 175.025 175.510 -0.113 0.000 1.210 211 N CA 0.193 53.447 53.050 0.341 0.000 1.157 211 N CB -0.399 38.379 38.487 0.484 0.000 1.450 211 N HN 0.690 nan 8.380 nan 0.000 0.527 212 H N 1.212 120.472 119.070 0.317 0.000 3.108 212 H HA 0.218 4.776 4.556 0.002 0.000 0.329 212 H C -2.014 173.305 175.328 -0.016 0.000 0.978 212 H CA -1.303 54.799 56.048 0.091 0.000 1.413 212 H CB 2.150 31.977 29.762 0.108 0.000 1.670 212 H HN 0.286 nan 8.280 nan 0.000 0.512 213 P HA -0.128 nan 4.420 nan 0.000 0.221 213 P C 0.934 178.338 177.300 0.173 0.000 1.150 213 P CA 0.876 63.820 63.100 -0.259 0.000 0.800 213 P CB 0.526 31.950 31.700 -0.460 0.000 0.787 214 Q N -0.221 119.709 119.800 0.217 0.000 2.526 214 Q HA 0.028 4.369 4.340 0.002 0.000 0.207 214 Q C 0.102 176.343 176.000 0.402 0.000 1.078 214 Q CA -0.416 55.593 55.803 0.344 0.000 1.041 214 Q CB -0.528 28.349 28.738 0.232 0.000 1.228 214 Q HN -0.031 nan 8.270 nan 0.000 0.603 215 C N 1.457 121.008 119.300 0.417 0.000 2.592 215 C HA 0.223 4.684 4.460 0.002 0.000 0.408 215 C C 0.022 175.132 174.990 0.199 0.000 1.436 215 C CA -0.243 58.963 59.018 0.313 0.000 1.595 215 C CB -1.392 26.303 27.740 -0.076 0.000 2.487 215 C HN 0.453 nan 8.230 nan 0.000 0.610 216 V N 7.314 127.383 119.914 0.258 0.000 2.398 216 V HA 0.395 4.517 4.120 0.002 0.000 0.286 216 V C 0.321 176.486 176.094 0.119 0.000 1.026 216 V CA -0.052 62.330 62.300 0.137 0.000 0.868 216 V CB 1.822 33.749 31.823 0.172 0.000 0.982 216 V HN 0.920 nan 8.190 nan 0.000 0.443 217 S N 5.275 120.965 115.700 -0.016 0.000 2.422 217 S HA 0.665 5.136 4.470 0.002 0.000 0.298 217 S C -0.913 173.664 174.600 -0.039 0.000 1.118 217 S CA -0.395 57.820 58.200 0.024 0.000 1.083 217 S CB -0.077 63.099 63.200 -0.040 0.000 0.971 217 S HN 0.384 nan 8.310 nan 0.000 0.478 218 F N 3.006 123.003 119.950 0.078 0.000 2.436 218 F HA 0.456 4.984 4.527 0.002 0.000 0.340 218 F C 0.707 176.508 175.800 0.002 0.000 1.113 218 F CA -0.702 57.342 58.000 0.073 0.000 1.022 218 F CB 1.473 40.505 39.000 0.055 0.000 1.128 218 F HN 0.397 nan 8.300 nan 0.000 0.466 219 E N 3.390 123.685 120.200 0.158 0.000 2.256 219 E HA 0.235 4.586 4.350 0.002 0.000 0.243 219 E C -0.949 175.673 176.600 0.037 0.000 0.925 219 E CA -0.356 56.073 56.400 0.048 0.000 0.748 219 E CB 1.747 31.433 29.700 -0.023 0.000 1.206 219 E HN 0.247 nan 8.360 nan 0.000 0.428 220 V N 1.846 121.764 119.914 0.007 0.000 2.313 220 V HA 0.220 4.341 4.120 0.002 0.000 0.252 220 V C 1.430 177.472 176.094 -0.088 0.000 1.112 220 V CA 0.435 62.689 62.300 -0.076 0.000 0.984 220 V CB 0.189 31.915 31.823 -0.161 0.000 1.157 220 V HN 0.919 nan 8.190 nan 0.000 0.493 221 G N 4.549 113.305 108.800 -0.074 0.000 2.187 221 G HA2 -0.324 3.638 3.960 0.002 0.000 0.261 221 G HA3 -0.324 3.638 3.960 0.002 0.000 0.261 221 G C 0.954 175.817 174.900 -0.061 0.000 1.000 221 G CA 0.846 45.906 45.100 -0.068 0.000 0.718 221 G HN 0.982 nan 8.290 nan 0.000 0.519 222 S N -1.739 113.927 115.700 -0.056 0.000 2.503 222 S HA 0.324 4.795 4.470 0.002 0.000 0.215 222 S C 1.489 176.052 174.600 -0.061 0.000 1.003 222 S CA 1.030 59.197 58.200 -0.054 0.000 0.910 222 S CB 0.576 63.749 63.200 -0.044 0.000 0.790 222 S HN 0.619 nan 8.310 nan 0.000 0.514 223 E N 0.878 121.036 120.200 -0.069 0.000 2.290 223 E HA 0.184 4.535 4.350 0.002 0.000 0.195 223 E C -0.430 176.116 176.600 -0.090 0.000 0.938 223 E CA 0.093 56.441 56.400 -0.087 0.000 1.018 223 E CB 0.489 30.126 29.700 -0.105 0.000 1.042 223 E HN 0.049 nan 8.360 nan 0.000 0.483 224 K N 1.944 122.295 120.400 -0.081 0.000 2.316 224 K HA 0.204 4.526 4.320 0.002 0.000 0.267 224 K C 0.785 177.347 176.600 -0.063 0.000 1.025 224 K CA -0.151 56.089 56.287 -0.078 0.000 0.896 224 K CB 1.800 34.260 32.500 -0.068 0.000 1.124 224 K HN 0.040 nan 8.250 nan 0.000 0.451 225 V N 1.472 121.348 119.914 -0.064 0.000 2.439 225 V HA -0.224 3.897 4.120 0.002 0.000 0.253 225 V C 1.041 177.109 176.094 -0.044 0.000 1.074 225 V CA 1.893 64.160 62.300 -0.054 0.000 1.076 225 V CB -0.202 31.589 31.823 -0.054 0.000 0.664 225 V HN 0.613 nan 8.190 nan 0.000 0.461 226 S N -0.676 115.002 115.700 -0.036 0.000 2.624 226 S HA 0.354 4.825 4.470 0.002 0.000 0.246 226 S C 0.007 174.602 174.600 -0.007 0.000 1.072 226 S CA -0.362 57.826 58.200 -0.020 0.000 1.045 226 S CB -0.013 63.180 63.200 -0.012 0.000 0.851 226 S HN 0.556 nan 8.310 nan 0.000 0.480 227 K N 0.597 120.986 120.400 -0.018 0.000 2.508 227 K HA 0.540 4.861 4.320 0.002 0.000 0.260 227 K C -1.380 175.209 176.600 -0.018 0.000 0.949 227 K CA -0.779 55.507 56.287 -0.002 0.000 0.834 227 K CB 2.320 34.818 32.500 -0.004 0.000 1.365 227 K HN -0.110 nan 8.250 nan 0.000 0.437 228 V N 2.550 122.469 119.914 0.007 0.000 2.311 228 V HA 0.186 4.307 4.120 0.002 0.000 0.275 228 V C -0.192 175.942 176.094 0.067 0.000 1.022 228 V CA -0.532 61.772 62.300 0.006 0.000 0.830 228 V CB 1.041 32.805 31.823 -0.097 0.000 1.012 228 V HN 0.657 nan 8.190 nan 0.000 0.452 229 Q N 5.288 125.111 119.800 0.038 0.000 2.230 229 Q HA 0.677 5.018 4.340 0.002 0.000 0.253 229 Q C -1.511 174.493 176.000 0.006 0.000 0.919 229 Q CA -0.563 55.203 55.803 -0.062 0.000 0.908 229 Q CB 1.649 30.349 28.738 -0.063 0.000 1.245 229 Q HN 0.698 nan 8.270 nan 0.000 0.437 230 F N 0.252 120.140 119.950 -0.103 0.000 2.581 230 F HA 0.714 5.243 4.527 0.002 0.000 0.311 230 F C -1.024 174.682 175.800 -0.157 0.000 1.113 230 F CA -0.900 56.897 58.000 -0.339 0.000 0.935 230 F CB 1.622 40.203 39.000 -0.699 0.000 1.232 230 F HN 0.464 nan 8.300 nan 0.000 0.445 231 S N 2.071 117.769 115.700 -0.003 0.000 2.569 231 S HA 0.900 5.371 4.470 0.002 0.000 0.280 231 S C -1.790 172.825 174.600 0.025 0.000 1.111 231 S CA -0.789 57.437 58.200 0.042 0.000 0.887 231 S CB 1.829 65.010 63.200 -0.032 0.000 1.095 231 S HN 1.574 nan 8.310 nan 0.000 0.476 232 V N 0.874 120.822 119.914 0.058 0.000 3.048 232 V HA 0.542 4.663 4.120 0.002 0.000 0.303 232 V C -1.072 175.041 176.094 0.030 0.000 1.214 232 V CA -0.691 61.607 62.300 -0.002 0.000 0.984 232 V CB 1.955 33.612 31.823 -0.276 0.000 1.054 232 V HN 1.153 nan 8.190 nan 0.000 0.430 233 E N 3.777 123.966 120.200 -0.019 0.000 1.944 233 E HA 0.527 4.879 4.350 0.002 0.000 0.272 233 E C -0.507 175.966 176.600 -0.213 0.000 1.195 233 E CA 0.359 56.575 56.400 -0.308 0.000 0.926 233 E CB 0.332 29.817 29.700 -0.358 0.000 1.051 233 E HN 0.795 nan 8.360 nan 0.000 0.404 234 S N 3.101 118.689 115.700 -0.188 0.000 2.595 234 S HA 0.125 4.596 4.470 0.002 0.000 0.270 234 S C -0.221 174.397 174.600 0.031 0.000 1.145 234 S CA -0.725 57.402 58.200 -0.122 0.000 0.825 234 S CB 1.330 64.324 63.200 -0.343 0.000 1.107 234 S HN 0.499 nan 8.310 nan 0.000 0.461 235 E N 0.824 121.117 120.200 0.156 0.000 2.489 235 E HA 0.209 4.560 4.350 0.002 0.000 0.193 235 E C -0.565 176.239 176.600 0.340 0.000 1.057 235 E CA 0.486 57.061 56.400 0.292 0.000 0.866 235 E CB 0.014 29.903 29.700 0.316 0.000 0.916 235 E HN 0.572 nan 8.360 nan 0.000 0.500 236 Y N -2.140 118.277 120.300 0.194 0.000 2.581 236 Y HA 0.575 5.127 4.550 0.002 0.000 0.337 236 Y C -1.589 174.450 175.900 0.232 0.000 1.108 236 Y CA -1.699 56.517 58.100 0.194 0.000 1.033 236 Y CB 0.799 39.352 38.460 0.156 0.000 1.318 236 Y HN -0.206 nan 8.280 nan 0.000 0.459 237 L N 2.727 124.065 121.223 0.191 0.000 2.362 237 L HA 0.683 5.025 4.340 0.002 0.000 0.275 237 L C -1.212 175.913 176.870 0.426 0.000 0.998 237 L CA -0.581 54.420 54.840 0.269 0.000 0.820 237 L CB 2.033 44.233 42.059 0.234 0.000 1.270 237 L HN 0.908 nan 8.230 nan 0.000 0.415 238 E N 3.849 124.367 120.200 0.531 0.000 2.246 238 E HA 0.530 4.881 4.350 0.002 0.000 0.266 238 E C -2.050 174.613 176.600 0.106 0.000 0.880 238 E CA -0.611 55.884 56.400 0.159 0.000 0.762 238 E CB 1.458 31.232 29.700 0.124 0.000 1.180 238 E HN 0.569 nan 8.360 nan 0.000 0.416 239 Y N 1.452 121.660 120.300 -0.154 0.000 2.562 239 Y HA 0.686 5.237 4.550 0.002 0.000 0.345 239 Y C -1.791 173.887 175.900 -0.369 0.000 1.045 239 Y CA -1.483 56.539 58.100 -0.130 0.000 1.028 239 Y CB 0.998 39.486 38.460 0.048 0.000 1.297 239 Y HN 0.242 nan 8.280 nan 0.000 0.463 240 F N 1.697 121.781 119.950 0.223 0.000 2.467 240 F HA 0.622 5.150 4.527 0.002 0.000 0.336 240 F C -0.577 175.274 175.800 0.086 0.000 1.123 240 F CA -1.297 56.745 58.000 0.068 0.000 0.964 240 F CB 2.066 41.127 39.000 0.102 0.000 1.136 240 F HN 0.346 nan 8.300 nan 0.000 0.447 241 V N 5.180 125.160 119.914 0.110 0.000 2.406 241 V HA 0.328 4.449 4.120 0.002 0.000 0.272 241 V C 0.112 176.242 176.094 0.060 0.000 1.043 241 V CA -0.523 61.759 62.300 -0.030 0.000 0.915 241 V CB 1.115 32.674 31.823 -0.440 0.000 0.988 241 V HN 0.537 nan 8.190 nan 0.000 0.466 242 I N 3.998 124.644 120.570 0.127 0.000 2.354 242 I HA 0.313 4.484 4.170 0.002 0.000 0.286 242 I C 0.079 176.277 176.117 0.135 0.000 1.007 242 I CA -0.437 60.941 61.300 0.130 0.000 1.167 242 I CB 1.398 39.527 38.000 0.215 0.000 1.320 242 I HN 0.539 nan 8.210 nan 0.000 0.458 243 D N 4.340 124.794 120.400 0.090 0.000 2.368 243 D HA 0.264 4.905 4.640 0.002 0.000 0.240 243 D C 0.752 177.101 176.300 0.083 0.000 1.169 243 D CA 0.341 54.399 54.000 0.096 0.000 0.906 243 D CB 1.505 42.341 40.800 0.059 0.000 1.187 243 D HN 0.583 nan 8.370 nan 0.000 0.435 244 G N 0.521 109.370 108.800 0.083 0.000 2.543 244 G HA2 0.109 4.070 3.960 0.002 0.000 0.221 244 G HA3 0.109 4.070 3.960 0.002 0.000 0.221 244 G C -1.461 173.456 174.900 0.028 0.000 1.902 244 G CA -0.100 45.031 45.100 0.051 0.000 0.838 244 G HN 0.606 nan 8.290 nan 0.000 0.650 245 P HA 0.160 nan 4.420 nan 0.000 0.249 245 P C 0.025 177.340 177.300 0.024 0.000 1.241 245 P CA 0.845 63.969 63.100 0.040 0.000 0.781 245 P CB 0.395 32.114 31.700 0.032 0.000 1.088 246 T N 0.709 115.267 114.554 0.006 0.000 2.856 246 T HA 0.371 4.722 4.350 0.002 0.000 0.283 246 T C -1.934 172.749 174.700 -0.028 0.000 1.008 246 T CA -2.074 60.015 62.100 -0.018 0.000 0.997 246 T CB 1.851 70.700 68.868 -0.031 0.000 0.992 246 T HN -0.262 nan 8.240 nan 0.000 0.454 247 P HA -0.104 nan 4.420 nan 0.000 0.216 247 P C 1.205 178.473 177.300 -0.054 0.000 1.154 247 P CA 1.388 64.446 63.100 -0.070 0.000 0.865 247 P CB 0.228 31.855 31.700 -0.122 0.000 0.789 248 K N -0.831 119.529 120.400 -0.066 0.000 2.097 248 K HA -0.058 4.263 4.320 0.002 0.000 0.205 248 K C 2.136 178.711 176.600 -0.042 0.000 1.050 248 K CA 1.397 57.646 56.287 -0.063 0.000 0.938 248 K CB -0.589 31.865 32.500 -0.077 0.000 0.718 248 K HN 0.053 nan 8.250 nan 0.000 0.442 249 A N 1.042 123.844 122.820 -0.031 0.000 1.933 249 A HA -0.114 4.208 4.320 0.002 0.000 0.218 249 A C 2.352 179.939 177.584 0.005 0.000 1.175 249 A CA 1.279 53.306 52.037 -0.017 0.000 0.628 249 A CB -0.597 18.397 19.000 -0.011 0.000 0.814 249 A HN 0.057 nan 8.150 nan 0.000 0.444 250 V N 0.115 120.043 119.914 0.023 0.000 2.295 250 V HA -0.266 3.855 4.120 0.002 0.000 0.246 250 V C 2.529 178.671 176.094 0.080 0.000 1.049 250 V CA 2.038 64.382 62.300 0.072 0.000 1.024 250 V CB -0.736 31.140 31.823 0.090 0.000 0.648 250 V HN 0.581 nan 8.190 nan 0.000 0.447 251 L N -0.044 121.200 121.223 0.036 0.000 2.201 251 L HA -0.154 4.187 4.340 0.002 0.000 0.212 251 L C 2.354 179.216 176.870 -0.013 0.000 1.105 251 L CA 1.419 56.263 54.840 0.005 0.000 0.775 251 L CB -0.563 41.472 42.059 -0.039 0.000 0.913 251 L HN 0.413 nan 8.230 nan 0.000 0.440 252 D N 0.537 120.924 120.400 -0.023 0.000 2.084 252 D HA -0.165 4.476 4.640 0.002 0.000 0.196 252 D C 2.301 178.575 176.300 -0.042 0.000 0.985 252 D CA 1.371 55.345 54.000 -0.043 0.000 0.826 252 D CB 0.140 40.915 40.800 -0.041 0.000 0.978 252 D HN 0.140 nan 8.370 nan 0.000 0.456 253 R N -1.001 119.488 120.500 -0.018 0.000 2.092 253 R HA -0.151 4.190 4.340 0.002 0.000 0.231 253 R C 2.414 178.699 176.300 -0.025 0.000 1.119 253 R CA 1.069 57.153 56.100 -0.027 0.000 0.970 253 R CB -0.584 29.707 30.300 -0.014 0.000 0.864 253 R HN 0.346 nan 8.270 nan 0.000 0.440 254 Y N 2.036 122.265 120.300 -0.119 0.000 2.181 254 Y HA -0.244 4.307 4.550 0.002 0.000 0.288 254 Y C 2.533 178.284 175.900 -0.248 0.000 1.146 254 Y CA 2.085 60.057 58.100 -0.213 0.000 1.164 254 Y CB -0.237 37.913 38.460 -0.516 0.000 0.982 254 Y HN 0.097 nan 8.280 nan 0.000 0.515 255 T N -1.638 112.751 114.554 -0.276 0.000 2.985 255 T HA -0.124 4.227 4.350 0.002 0.000 0.266 255 T C 1.920 176.447 174.700 -0.289 0.000 1.076 255 T CA 1.143 63.036 62.100 -0.344 0.000 1.135 255 T CB -0.414 68.326 68.868 -0.214 0.000 0.890 255 T HN 0.399 nan 8.240 nan 0.000 0.480 256 R N -0.035 120.355 120.500 -0.183 0.000 2.115 256 R HA 0.120 4.462 4.340 0.002 0.000 0.226 256 R C 2.150 178.392 176.300 -0.098 0.000 1.100 256 R CA 0.888 56.914 56.100 -0.124 0.000 0.980 256 R CB -0.456 29.796 30.300 -0.080 0.000 0.875 256 R HN 0.534 nan 8.270 nan 0.000 0.445 257 F N 0.416 120.154 119.950 -0.353 0.000 2.234 257 F HA -0.090 4.439 4.527 0.002 0.000 0.296 257 F C 1.682 177.199 175.800 -0.472 0.000 1.089 257 F CA 1.364 59.125 58.000 -0.397 0.000 1.343 257 F CB 0.263 38.993 39.000 -0.451 0.000 1.040 257 F HN 0.174 nan 8.300 nan 0.000 0.498 258 T N -2.455 111.673 114.554 -0.711 0.000 3.040 258 T HA 0.499 4.850 4.350 0.002 0.000 0.266 258 T C 0.477 174.830 174.700 -0.578 0.000 1.005 258 T CA 0.267 61.871 62.100 -0.826 0.000 0.906 258 T CB 0.561 68.741 68.868 -1.146 0.000 1.082 258 T HN 0.427 nan 8.240 nan 0.000 0.531 259 G N 1.542 110.066 108.800 -0.461 0.000 2.957 259 G HA2 0.179 4.141 3.960 0.002 0.000 0.636 259 G HA3 0.179 4.141 3.960 0.002 0.000 0.636 259 G C -1.197 173.488 174.900 -0.358 0.000 1.401 259 G CA -1.287 43.587 45.100 -0.377 0.000 0.941 259 G HN 0.317 nan 8.290 nan 0.000 0.610 260 R N 1.800 122.144 120.500 -0.261 0.000 2.441 260 R HA 0.452 4.793 4.340 0.002 0.000 0.284 260 R C -2.395 173.778 176.300 -0.212 0.000 1.070 260 R CA -1.791 54.185 56.100 -0.207 0.000 1.047 260 R CB 0.773 30.997 30.300 -0.126 0.000 1.016 260 R HN 0.308 nan 8.270 nan 0.000 0.477 261 P HA 0.035 nan 4.420 nan 0.000 0.268 261 P C -0.612 176.698 177.300 0.017 0.000 1.205 261 P CA 0.164 63.207 63.100 -0.095 0.000 0.771 261 P CB 0.684 32.384 31.700 -0.001 0.000 0.858 262 A N 3.140 125.956 122.820 -0.008 0.000 2.332 262 A HA 0.376 4.697 4.320 0.002 0.000 0.258 262 A C -0.420 177.251 177.584 0.145 0.000 1.087 262 A CA -0.278 51.808 52.037 0.083 0.000 0.802 262 A CB -0.146 18.939 19.000 0.142 0.000 1.042 262 A HN 0.565 nan 8.150 nan 0.000 0.489 263 L N 2.605 123.908 121.223 0.134 0.000 2.261 263 L HA 0.477 4.818 4.340 0.002 0.000 0.289 263 L C -2.275 174.628 176.870 0.055 0.000 1.059 263 L CA -1.678 53.199 54.840 0.061 0.000 0.816 263 L CB 0.599 42.696 42.059 0.063 0.000 1.191 263 L HN 0.363 nan 8.230 nan 0.000 0.431 264 P HA 0.314 nan 4.420 nan 0.000 0.274 264 P C -2.646 174.774 177.300 0.201 0.000 1.237 264 P CA -1.312 61.785 63.100 -0.005 0.000 0.793 264 P CB -0.066 31.495 31.700 -0.231 0.000 0.977 265 P HA -0.001 nan 4.420 nan 0.000 0.269 265 P C 0.441 177.761 177.300 0.033 0.000 1.209 265 P CA 0.231 63.265 63.100 -0.109 0.000 0.776 265 P CB 0.315 31.623 31.700 -0.653 0.000 0.876 266 A N 4.250 127.095 122.820 0.042 0.000 1.940 266 A HA -0.169 4.153 4.320 0.002 0.000 0.219 266 A C 1.870 179.597 177.584 0.239 0.000 1.176 266 A CA 1.544 53.599 52.037 0.029 0.000 0.631 266 A CB -1.654 17.247 19.000 -0.165 0.000 0.814 266 A HN 0.846 nan 8.150 nan 0.000 0.446 267 W N 0.857 122.265 121.300 0.180 0.000 2.392 267 W HA -0.147 4.514 4.660 0.002 0.000 0.279 267 W C 1.801 178.436 176.519 0.192 0.000 1.225 267 W CA 1.318 58.728 57.345 0.110 0.000 1.233 267 W CB -1.433 28.032 29.460 0.009 0.000 1.122 267 W HN 0.520 nan 8.180 nan 0.000 0.561 268 S N 0.544 116.138 115.700 -0.178 0.000 2.474 268 S HA -0.177 4.294 4.470 0.002 0.000 0.235 268 S C 1.311 176.139 174.600 0.380 0.000 0.997 268 S CA 0.671 58.924 58.200 0.088 0.000 0.949 268 S CB -1.323 61.779 63.200 -0.162 0.000 0.766 268 S HN 0.134 nan 8.310 nan 0.000 0.517 269 F N 2.690 122.702 119.950 0.103 0.000 2.802 269 F HA 0.382 4.910 4.527 0.002 0.000 0.300 269 F C 1.766 177.654 175.800 0.147 0.000 1.168 269 F CA -0.394 57.586 58.000 -0.033 0.000 1.433 269 F CB -0.715 38.264 39.000 -0.036 0.000 1.115 269 F HN 0.310 nan 8.300 nan 0.000 0.582 270 G N -0.124 108.912 108.800 0.393 0.000 2.543 270 G HA2 0.361 4.322 3.960 0.002 0.000 0.290 270 G HA3 0.361 4.322 3.960 0.002 0.000 0.290 270 G C -1.043 174.222 174.900 0.608 0.000 1.310 270 G CA -0.620 44.721 45.100 0.401 0.000 1.025 270 G HN -0.001 nan 8.290 nan 0.000 0.502 271 L N 0.118 121.756 121.223 0.691 0.000 2.369 271 L HA 0.441 4.783 4.340 0.002 0.000 0.279 271 L C -0.892 176.210 176.870 0.387 0.000 1.108 271 L CA -1.030 54.069 54.840 0.431 0.000 0.852 271 L CB -0.054 42.150 42.059 0.241 0.000 1.169 271 L HN 0.418 nan 8.230 nan 0.000 0.452 272 W N 6.048 127.419 121.300 0.118 0.000 2.375 272 W HA 0.561 5.222 4.660 0.002 0.000 0.336 272 W C -0.350 176.170 176.519 0.001 0.000 1.160 272 W CA -0.464 56.901 57.345 0.034 0.000 1.266 272 W CB 0.928 30.352 29.460 -0.061 0.000 1.195 272 W HN 0.284 nan 8.180 nan 0.000 0.599 273 L N 2.573 123.917 121.223 0.201 0.000 2.422 273 L HA 0.705 5.046 4.340 0.002 0.000 0.264 273 L C -1.027 175.806 176.870 -0.062 0.000 0.984 273 L CA -0.287 54.641 54.840 0.146 0.000 0.819 273 L CB 2.045 44.269 42.059 0.274 0.000 1.330 273 L HN 0.472 nan 8.230 nan 0.000 0.410 274 T N 1.980 116.455 114.554 -0.131 0.000 2.956 274 T HA 0.605 4.956 4.350 0.002 0.000 0.312 274 T C -0.044 174.520 174.700 -0.227 0.000 1.151 274 T CA 0.098 62.000 62.100 -0.330 0.000 1.024 274 T CB 1.165 69.823 68.868 -0.351 0.000 1.140 274 T HN 0.896 nan 8.240 nan 0.000 0.473 275 T N 1.871 116.267 114.554 -0.263 0.000 2.771 275 T HA 0.481 4.832 4.350 0.002 0.000 0.290 275 T C 0.403 175.069 174.700 -0.057 0.000 1.005 275 T CA -0.741 61.141 62.100 -0.363 0.000 0.944 275 T CB 0.141 68.712 68.868 -0.495 0.000 1.147 275 T HN 0.528 nan 8.240 nan 0.000 0.534 276 S N 0.850 116.521 115.700 -0.049 0.000 2.465 276 S HA 0.185 4.656 4.470 0.002 0.000 0.280 276 S C 0.715 175.406 174.600 0.152 0.000 1.232 276 S CA -0.741 57.523 58.200 0.105 0.000 1.066 276 S CB -0.864 62.358 63.200 0.037 0.000 0.929 276 S HN 0.686 nan 8.310 nan 0.000 0.494 277 F N 3.222 123.229 119.950 0.096 0.000 2.282 277 F HA -0.469 4.059 4.527 0.002 0.000 0.265 277 F C 2.734 178.572 175.800 0.064 0.000 1.139 277 F CA 2.261 60.334 58.000 0.122 0.000 1.505 277 F CB -0.664 38.435 39.000 0.166 0.000 0.829 277 F HN 0.617 nan 8.300 nan 0.000 0.496 278 T N -1.114 113.319 114.554 -0.202 0.000 2.951 278 T HA -0.139 4.212 4.350 0.002 0.000 0.268 278 T C 1.738 176.122 174.700 -0.527 0.000 1.073 278 T CA 1.892 63.661 62.100 -0.552 0.000 1.134 278 T CB -0.720 67.883 68.868 -0.442 0.000 0.884 278 T HN 0.625 nan 8.240 nan 0.000 0.479 279 T N 0.152 114.404 114.554 -0.504 0.000 2.996 279 T HA -0.047 4.304 4.350 0.002 0.000 0.271 279 T C 1.220 175.323 174.700 -0.995 0.000 1.126 279 T CA 0.594 62.102 62.100 -0.987 0.000 1.103 279 T CB -0.699 67.848 68.868 -0.536 0.000 0.870 279 T HN 0.270 nan 8.240 nan 0.000 0.528 280 N N 1.637 120.076 118.700 -0.435 0.000 3.105 280 N HA 0.105 4.846 4.740 0.002 0.000 0.309 280 N C 0.394 175.838 175.510 -0.112 0.000 1.291 280 N CA -0.010 52.981 53.050 -0.097 0.000 1.153 280 N CB -0.656 38.005 38.487 0.290 0.000 1.447 280 N HN 0.656 nan 8.380 nan 0.000 0.555 281 Y N 0.214 120.480 120.300 -0.057 0.000 2.193 281 Y HA -0.253 4.298 4.550 0.002 0.000 0.285 281 Y C 1.179 176.985 175.900 -0.157 0.000 1.166 281 Y CA 0.673 58.699 58.100 -0.123 0.000 1.181 281 Y CB 0.162 38.570 38.460 -0.087 0.000 0.976 281 Y HN 0.327 nan 8.280 nan 0.000 0.520 282 D N -2.424 118.025 120.400 0.082 0.000 2.865 282 D HA -0.026 4.616 4.640 0.002 0.000 0.343 282 D C 0.216 176.711 176.300 0.325 0.000 1.372 282 D CA -0.434 53.619 54.000 0.089 0.000 0.862 282 D CB 0.875 41.731 40.800 0.093 0.000 1.425 282 D HN 0.029 nan 8.370 nan 0.000 0.501 283 E N -0.250 120.160 120.200 0.350 0.000 2.106 283 E HA -0.070 4.282 4.350 0.002 0.000 0.192 283 E C 1.956 178.654 176.600 0.164 0.000 0.984 283 E CA 1.272 57.857 56.400 0.308 0.000 0.806 283 E CB -0.220 29.611 29.700 0.218 0.000 0.750 283 E HN 0.469 nan 8.360 nan 0.000 0.458 284 A N 0.609 123.506 122.820 0.128 0.000 1.940 284 A HA -0.217 4.105 4.320 0.002 0.000 0.219 284 A C 2.414 180.051 177.584 0.088 0.000 1.176 284 A CA 2.327 54.415 52.037 0.085 0.000 0.631 284 A CB -1.165 17.879 19.000 0.074 0.000 0.814 284 A HN 0.523 nan 8.150 nan 0.000 0.446 285 T N -2.683 111.940 114.554 0.115 0.000 2.777 285 T HA -0.085 4.266 4.350 0.002 0.000 0.266 285 T C 1.712 176.473 174.700 0.102 0.000 1.040 285 T CA 1.441 63.606 62.100 0.108 0.000 1.141 285 T CB -0.807 68.112 68.868 0.085 0.000 0.868 285 T HN 0.072 nan 8.240 nan 0.000 0.444 286 V N 2.584 122.547 119.914 0.083 0.000 2.261 286 V HA -0.162 3.959 4.120 0.002 0.000 0.246 286 V C 2.796 178.836 176.094 -0.089 0.000 1.047 286 V CA 2.226 64.498 62.300 -0.046 0.000 1.015 286 V CB -1.121 30.641 31.823 -0.102 0.000 0.642 286 V HN 0.469 nan 8.190 nan 0.000 0.446 287 N N -0.165 118.503 118.700 -0.054 0.000 2.120 287 N HA -0.176 4.565 4.740 0.002 0.000 0.188 287 N C 2.095 177.590 175.510 -0.024 0.000 1.024 287 N CA 1.602 54.613 53.050 -0.066 0.000 0.852 287 N CB -0.287 38.178 38.487 -0.037 0.000 1.003 287 N HN 0.353 nan 8.380 nan 0.000 0.424 288 S N -1.098 114.618 115.700 0.027 0.000 2.383 288 S HA -0.140 4.331 4.470 0.002 0.000 0.229 288 S C 1.763 176.392 174.600 0.050 0.000 1.030 288 S CA 0.910 59.133 58.200 0.038 0.000 1.002 288 S CB -0.523 62.718 63.200 0.068 0.000 0.829 288 S HN 0.432 nan 8.310 nan 0.000 0.467 289 F N 1.470 121.386 119.950 -0.058 0.000 2.206 289 F HA 0.178 4.707 4.527 0.002 0.000 0.298 289 F C 1.808 177.566 175.800 -0.070 0.000 1.090 289 F CA 1.184 59.156 58.000 -0.047 0.000 1.323 289 F CB -0.151 38.832 39.000 -0.030 0.000 1.028 289 F HN 0.216 nan 8.300 nan 0.000 0.492 290 I N -0.348 120.201 120.570 -0.034 0.000 2.500 290 I HA -0.202 3.969 4.170 0.002 0.000 0.252 290 I C 1.608 177.642 176.117 -0.139 0.000 1.142 290 I CA 0.903 62.129 61.300 -0.123 0.000 1.451 290 I CB -0.441 37.452 38.000 -0.179 0.000 1.093 290 I HN 0.015 nan 8.210 nan 0.000 0.430 291 D N 1.229 121.562 120.400 -0.111 0.000 2.269 291 D HA -0.024 4.617 4.640 0.002 0.000 0.208 291 D C 1.253 177.487 176.300 -0.110 0.000 0.963 291 D CA 0.557 54.500 54.000 -0.095 0.000 0.864 291 D CB -0.202 40.557 40.800 -0.067 0.000 0.936 291 D HN 0.296 nan 8.370 nan 0.000 0.505 295 E N 0.585 120.744 120.200 -0.068 0.000 2.110 295 E HA -0.129 4.222 4.350 0.002 0.000 0.193 295 E C 1.411 177.985 176.600 -0.043 0.000 0.988 295 E CA 1.240 57.608 56.400 -0.053 0.000 0.804 295 E CB -0.123 29.543 29.700 -0.056 0.000 0.745 295 E HN 0.546 nan 8.360 nan 0.000 0.458 296 R N 0.437 120.909 120.500 -0.048 0.000 2.356 296 R HA 0.096 4.437 4.340 0.002 0.000 0.234 296 R C -0.336 175.952 176.300 -0.020 0.000 0.929 296 R CA -0.012 56.070 56.100 -0.030 0.000 1.084 296 R CB 0.081 30.362 30.300 -0.031 0.000 1.105 296 R HN 0.098 nan 8.270 nan 0.000 0.515 297 N N 0.517 119.199 118.700 -0.029 0.000 2.740 297 N HA -0.172 4.569 4.740 0.002 0.000 0.248 297 N C -1.360 174.139 175.510 -0.018 0.000 1.062 297 N CA 0.611 53.646 53.050 -0.024 0.000 0.704 297 N CB -1.069 37.409 38.487 -0.014 0.000 0.968 297 N HN 0.233 nan 8.380 nan 0.000 0.547 298 L N 0.217 121.422 121.223 -0.031 0.000 2.277 298 L HA 0.434 4.775 4.340 0.002 0.000 0.284 298 L C -1.803 175.031 176.870 -0.060 0.000 1.028 298 L CA -1.714 53.112 54.840 -0.023 0.000 0.835 298 L CB 0.850 42.898 42.059 -0.017 0.000 1.215 298 L HN -0.137 nan 8.230 nan 0.000 0.425 299 P HA 0.016 nan 4.420 nan 0.000 0.262 299 P C -0.946 176.138 177.300 -0.360 0.000 1.182 299 P CA 0.078 63.085 63.100 -0.156 0.000 0.761 299 P CB 0.551 32.236 31.700 -0.024 0.000 0.795 300 L N 4.502 125.458 121.223 -0.444 0.000 2.381 300 L HA 0.282 4.623 4.340 0.002 0.000 0.274 300 L C 0.304 176.877 176.870 -0.495 0.000 0.988 300 L CA -0.317 54.280 54.840 -0.404 0.000 0.824 300 L CB 1.358 43.322 42.059 -0.159 0.000 1.263 300 L HN 0.576 nan 8.230 nan 0.000 0.410 301 H N 2.784 121.854 119.070 0.001 0.000 3.017 301 H HA 0.371 4.928 4.556 0.002 0.000 0.255 301 H C -0.393 174.828 175.328 -0.179 0.000 0.990 301 H CA -0.074 55.944 56.048 -0.049 0.000 1.205 301 H CB 1.392 31.179 29.762 0.041 0.000 1.460 301 H HN 0.251 nan 8.280 nan 0.000 0.478 302 V N 0.989 120.803 119.914 -0.166 0.000 2.777 302 V HA 0.203 4.325 4.120 0.002 0.000 0.306 302 V C -1.601 174.387 176.094 -0.176 0.000 1.112 302 V CA -0.982 61.086 62.300 -0.387 0.000 0.917 302 V CB 2.522 33.670 31.823 -1.125 0.000 1.018 302 V HN 0.098 nan 8.190 nan 0.000 0.426 303 F N 3.619 123.401 119.950 -0.281 0.000 2.495 303 F HA 0.762 5.290 4.527 0.002 0.000 0.327 303 F C -0.418 175.258 175.800 -0.206 0.000 1.103 303 F CA -0.494 57.375 58.000 -0.218 0.000 0.949 303 F CB 1.506 40.346 39.000 -0.267 0.000 1.142 303 F HN 0.735 nan 8.300 nan 0.000 0.457 304 H N 5.160 123.554 119.070 -1.128 0.000 2.466 304 H HA 0.473 5.030 4.556 0.002 0.000 0.338 304 H C -1.716 173.009 175.328 -1.005 0.000 1.091 304 H CA -0.669 54.924 56.048 -0.758 0.000 1.207 304 H CB 0.861 30.385 29.762 -0.396 0.000 1.466 304 H HN 0.499 nan 8.280 nan 0.000 0.493 305 F N 4.100 123.435 119.950 -1.025 0.000 2.405 305 F HA 0.173 4.701 4.527 0.002 0.000 0.355 305 F C 0.364 175.841 175.800 -0.539 0.000 1.121 305 F CA -0.545 57.120 58.000 -0.558 0.000 1.112 305 F CB 0.733 39.553 39.000 -0.300 0.000 1.126 305 F HN 0.708 nan 8.300 nan 0.000 0.481 306 D N 0.681 121.097 120.400 0.027 0.000 2.433 306 D HA 0.079 4.720 4.640 0.002 0.000 0.255 306 D C 1.104 177.475 176.300 0.118 0.000 1.226 306 D CA -0.558 53.533 54.000 0.152 0.000 1.015 306 D CB 0.155 41.127 40.800 0.288 0.000 1.091 306 D HN 0.529 nan 8.370 nan 0.000 0.527 307 C N -1.415 117.597 119.300 -0.481 0.000 2.392 307 C HA -0.187 4.274 4.460 0.002 0.000 0.276 307 C C 2.123 176.489 174.990 -1.039 0.000 1.212 307 C CA 0.242 58.396 59.018 -1.439 0.000 1.791 307 C CB -1.602 24.465 27.740 -2.789 0.000 2.063 307 C HN 0.536 nan 8.230 nan 0.000 0.481 308 F N 1.297 121.087 119.950 -0.266 0.000 2.772 308 F HA 0.076 4.605 4.527 0.002 0.000 0.302 308 F C 1.588 177.489 175.800 0.168 0.000 1.225 308 F CA -0.277 57.733 58.000 0.017 0.000 1.429 308 F CB -0.541 38.467 39.000 0.014 0.000 1.104 308 F HN 0.567 nan 8.300 nan 0.000 0.550 312 A N 1.622 124.195 122.820 -0.412 0.000 2.531 312 A HA 0.386 4.708 4.320 0.002 0.000 0.236 312 A C 0.142 177.161 177.584 -0.941 0.000 1.062 312 A CA 0.686 52.076 52.037 -1.078 0.000 0.760 312 A CB -0.753 17.602 19.000 -1.075 0.000 0.995 312 A HN 0.771 nan 8.150 nan 0.000 0.501 313 F N -1.249 118.110 119.950 -0.985 0.000 2.794 313 F HA -0.239 4.289 4.527 0.002 0.000 0.335 313 F C 1.194 176.751 175.800 -0.406 0.000 0.653 313 F CA 1.673 59.292 58.000 -0.636 0.000 1.266 313 F CB -1.995 36.754 39.000 -0.420 0.000 1.666 313 F HN 0.744 nan 8.300 nan 0.000 0.314 314 Q N -1.717 117.944 119.800 -0.233 0.000 2.159 314 Q HA 0.070 4.411 4.340 0.002 0.000 0.217 314 Q C -0.212 175.859 176.000 0.118 0.000 0.818 314 Q CA -0.454 55.340 55.803 -0.015 0.000 1.008 314 Q CB 0.350 29.095 28.738 0.012 0.000 1.148 314 Q HN 0.279 nan 8.270 nan 0.000 0.491 315 W N 0.856 122.089 121.300 -0.113 0.000 2.534 315 W HA -0.089 4.573 4.660 0.002 0.000 0.340 315 W C 0.651 177.245 176.519 0.125 0.000 1.352 315 W CA -0.355 56.961 57.345 -0.048 0.000 1.305 315 W CB -0.353 29.064 29.460 -0.072 0.000 1.299 315 W HN 0.257 nan 8.180 nan 0.000 0.572 316 C N 4.335 123.766 119.300 0.219 0.000 4.664 316 C HA -0.242 4.219 4.460 0.002 0.000 0.309 316 C C 1.223 176.177 174.990 -0.059 0.000 1.219 316 C CA 0.624 59.581 59.018 -0.101 0.000 2.220 316 C CB -2.143 25.591 27.740 -0.010 0.000 1.206 316 C HN 0.719 nan 8.230 nan 0.000 0.743 317 D N -0.966 119.440 120.400 0.010 0.000 2.398 317 D HA 0.172 4.813 4.640 0.002 0.000 0.210 317 D C 0.894 177.420 176.300 0.377 0.000 1.094 317 D CA 0.028 54.234 54.000 0.343 0.000 0.839 317 D CB -0.343 40.644 40.800 0.312 0.000 0.963 317 D HN 0.600 nan 8.370 nan 0.000 0.506 318 F N 0.729 120.747 119.950 0.114 0.000 2.988 318 F HA -0.235 4.293 4.527 0.002 0.000 0.287 318 F C -0.159 175.733 175.800 0.154 0.000 0.781 318 F CA 0.799 58.868 58.000 0.115 0.000 1.221 318 F CB -2.162 36.906 39.000 0.113 0.000 1.392 318 F HN 0.193 nan 8.300 nan 0.000 0.425 319 E N -0.403 119.886 120.200 0.148 0.000 2.145 319 E HA 0.398 4.750 4.350 0.002 0.000 0.270 319 E C -0.513 176.220 176.600 0.221 0.000 0.906 319 E CA -1.075 55.488 56.400 0.272 0.000 0.761 319 E CB 0.785 30.637 29.700 0.254 0.000 1.116 319 E HN 0.211 nan 8.360 nan 0.000 0.408 320 W N 2.197 123.729 121.300 0.387 0.000 2.209 320 W HA 0.031 4.692 4.660 0.002 0.000 0.344 320 W C 0.651 177.331 176.519 0.269 0.000 1.285 320 W CA 0.266 57.873 57.345 0.435 0.000 1.267 320 W CB 0.295 30.007 29.460 0.420 0.000 1.167 320 W HN 0.507 nan 8.180 nan 0.000 0.574 321 D N 3.453 124.142 120.400 0.481 0.000 2.352 321 D HA 0.134 4.775 4.640 0.002 0.000 0.245 321 D C -1.570 174.900 176.300 0.285 0.000 1.224 321 D CA -2.162 52.010 54.000 0.287 0.000 0.879 321 D CB 1.301 42.219 40.800 0.198 0.000 1.057 321 D HN -0.026 nan 8.370 nan 0.000 0.491 322 P HA -0.093 nan 4.420 nan 0.000 0.220 322 P C 1.259 178.627 177.300 0.113 0.000 1.148 322 P CA 0.417 63.620 63.100 0.171 0.000 0.803 322 P CB 0.316 32.097 31.700 0.134 0.000 0.782 323 L N -1.803 119.469 121.223 0.081 0.000 2.291 323 L HA -0.035 4.307 4.340 0.002 0.000 0.214 323 L C 2.037 178.908 176.870 0.002 0.000 1.120 323 L CA 1.886 56.748 54.840 0.036 0.000 0.799 323 L CB -1.528 40.543 42.059 0.020 0.000 0.925 323 L HN -0.012 nan 8.230 nan 0.000 0.446 324 T N -2.143 112.396 114.554 -0.026 0.000 3.044 324 T HA 0.170 4.521 4.350 0.002 0.000 0.237 324 T C 0.321 174.873 174.700 -0.246 0.000 1.001 324 T CA 0.375 62.342 62.100 -0.223 0.000 1.160 324 T CB 0.014 68.634 68.868 -0.414 0.000 0.889 324 T HN -0.036 nan 8.240 nan 0.000 0.442 325 F N 1.618 121.702 119.950 0.224 0.000 2.366 325 F HA 0.344 4.873 4.527 0.002 0.000 0.357 325 F C -2.061 173.799 175.800 0.101 0.000 1.107 325 F CA -2.374 55.734 58.000 0.181 0.000 1.208 325 F CB 1.667 40.848 39.000 0.301 0.000 1.464 325 F HN 0.053 nan 8.300 nan 0.000 0.501 326 P HA -0.174 nan 4.420 nan 0.000 0.218 326 P C 0.199 177.529 177.300 0.050 0.000 1.148 326 P CA 1.446 64.615 63.100 0.114 0.000 0.822 326 P CB 0.260 32.008 31.700 0.080 0.000 0.784 327 D N -2.211 118.198 120.400 0.015 0.000 2.441 327 D HA 0.173 4.814 4.640 0.002 0.000 0.287 327 D C -1.841 174.309 176.300 -0.249 0.000 1.198 327 D CA -2.312 51.630 54.000 -0.096 0.000 0.894 327 D CB 0.187 40.947 40.800 -0.067 0.000 1.070 327 D HN -0.119 nan 8.370 nan 0.000 0.499 328 P HA -0.176 nan 4.420 nan 0.000 0.213 328 P C 1.252 178.095 177.300 -0.763 0.000 1.176 328 P CA 1.064 63.551 63.100 -1.022 0.000 0.919 328 P CB 0.358 31.013 31.700 -1.743 0.000 0.791 329 E N -0.006 119.864 120.200 -0.551 0.000 2.085 329 E HA -0.099 4.252 4.350 0.002 0.000 0.194 329 E C 1.309 177.747 176.600 -0.269 0.000 0.994 329 E CA 0.983 57.165 56.400 -0.363 0.000 0.801 329 E CB -0.839 28.708 29.700 -0.255 0.000 0.743 329 E HN 0.156 nan 8.360 nan 0.000 0.453 333 R N 2.476 122.882 120.500 -0.156 0.000 2.081 333 R HA 0.016 4.357 4.340 0.002 0.000 0.235 333 R C 2.004 178.235 176.300 -0.115 0.000 1.131 333 R CA 1.955 57.975 56.100 -0.133 0.000 0.960 333 R CB -0.362 29.862 30.300 -0.127 0.000 0.856 333 R HN 0.263 nan 8.270 nan 0.000 0.436 334 R N -0.171 120.265 120.500 -0.107 0.000 2.120 334 R HA -0.039 4.303 4.340 0.002 0.000 0.234 334 R C 2.265 178.504 176.300 -0.101 0.000 1.123 334 R CA 1.535 57.579 56.100 -0.094 0.000 0.975 334 R CB -0.368 29.883 30.300 -0.082 0.000 0.866 334 R HN 0.256 nan 8.270 nan 0.000 0.446 335 L N 0.633 121.792 121.223 -0.107 0.000 2.072 335 L HA -0.118 4.223 4.340 0.002 0.000 0.205 335 L C 2.172 178.968 176.870 -0.123 0.000 1.079 335 L CA 1.274 56.041 54.840 -0.121 0.000 0.752 335 L CB -0.262 41.728 42.059 -0.114 0.000 0.906 335 L HN 0.105 nan 8.230 nan 0.000 0.436 336 K N 0.355 120.680 120.400 -0.125 0.000 2.148 336 K HA -0.063 4.258 4.320 0.002 0.000 0.204 336 K C 2.117 178.639 176.600 -0.130 0.000 1.050 336 K CA 1.156 57.356 56.287 -0.145 0.000 0.942 336 K CB -0.209 32.196 32.500 -0.159 0.000 0.724 336 K HN 0.234 nan 8.250 nan 0.000 0.446 337 A N 1.861 124.613 122.820 -0.113 0.000 2.125 337 A HA -0.150 4.171 4.320 0.002 0.000 0.219 337 A C 1.660 179.188 177.584 -0.093 0.000 1.156 337 A CA 1.278 53.256 52.037 -0.098 0.000 0.671 337 A CB -0.208 18.739 19.000 -0.088 0.000 0.794 337 A HN 0.202 nan 8.150 nan 0.000 0.459 338 K N -1.739 118.601 120.400 -0.100 0.000 2.426 338 K HA 0.218 4.540 4.320 0.002 0.000 0.193 338 K C 1.154 177.699 176.600 -0.093 0.000 1.028 338 K CA 0.496 56.727 56.287 -0.094 0.000 1.047 338 K CB 0.055 32.493 32.500 -0.103 0.000 0.821 338 K HN 0.612 nan 8.250 nan 0.000 0.513 339 G N 1.085 109.821 108.800 -0.106 0.000 2.195 339 G HA2 -0.233 3.728 3.960 0.002 0.000 0.224 339 G HA3 -0.233 3.728 3.960 0.002 0.000 0.224 339 G C 0.049 174.870 174.900 -0.132 0.000 0.990 339 G CA -0.415 44.621 45.100 -0.106 0.000 0.639 339 G HN 0.108 nan 8.290 nan 0.000 0.514 340 L N 1.072 122.209 121.223 -0.142 0.000 2.439 340 L HA 0.442 4.783 4.340 0.002 0.000 0.269 340 L C 0.701 177.415 176.870 -0.261 0.000 1.179 340 L CA -0.327 54.413 54.840 -0.167 0.000 0.828 340 L CB 0.641 42.622 42.059 -0.130 0.000 1.106 340 L HN -0.080 nan 8.230 nan 0.000 0.467 341 K N 2.897 123.079 120.400 -0.364 0.000 2.098 341 K HA 0.601 4.922 4.320 0.002 0.000 0.258 341 K C -0.612 175.757 176.600 -0.385 0.000 0.973 341 K CA -0.649 55.303 56.287 -0.558 0.000 0.898 341 K CB 2.301 34.170 32.500 -1.051 0.000 1.057 341 K HN 0.489 nan 8.250 nan 0.000 0.447 342 I N -1.863 118.512 120.570 -0.326 0.000 2.689 342 I HA 0.491 4.662 4.170 0.002 0.000 0.299 342 I C -0.937 175.064 176.117 -0.193 0.000 1.059 342 I CA -0.585 60.611 61.300 -0.173 0.000 1.055 342 I CB 2.042 40.053 38.000 0.019 0.000 1.243 342 I HN 0.518 nan 8.210 nan 0.000 0.425 343 C N 6.242 125.471 119.300 -0.119 0.000 2.634 343 C HA 0.937 5.398 4.460 0.002 0.000 0.313 343 C C -0.460 174.519 174.990 -0.018 0.000 1.198 343 C CA -0.059 58.931 59.018 -0.046 0.000 1.605 343 C CB 1.150 28.984 27.740 0.156 0.000 2.196 343 C HN 1.003 nan 8.230 nan 0.000 0.486 344 V N 2.262 122.168 119.914 -0.013 0.000 2.876 344 V HA 0.703 4.824 4.120 0.002 0.000 0.312 344 V C -0.913 175.363 176.094 0.303 0.000 1.085 344 V CA -0.815 61.449 62.300 -0.060 0.000 0.945 344 V CB 1.527 33.121 31.823 -0.381 0.000 1.017 344 V HN 1.104 nan 8.190 nan 0.000 0.428 345 W N 5.901 127.323 121.300 0.204 0.000 2.287 345 W HA 0.753 5.414 4.660 0.002 0.000 0.313 345 W C -0.321 176.441 176.519 0.406 0.000 1.267 345 W CA -0.207 57.356 57.345 0.364 0.000 1.201 345 W CB 0.909 30.529 29.460 0.267 0.000 1.196 345 W HN 0.897 nan 8.180 nan 0.000 0.536 346 I N 3.569 123.904 120.570 -0.393 0.000 3.191 346 I HA 0.630 4.801 4.170 0.002 0.000 0.313 346 I C -1.204 174.369 176.117 -0.907 0.000 1.193 346 I CA -1.250 59.763 61.300 -0.479 0.000 0.968 346 I CB 2.258 40.269 38.000 0.018 0.000 1.262 346 I HN 0.717 nan 8.210 nan 0.000 0.456 347 N N 1.117 119.523 118.700 -0.490 0.000 2.927 347 N HA 0.507 5.249 4.740 0.002 0.000 0.248 347 N C -2.828 172.657 175.510 -0.043 0.000 1.443 347 N CA -1.445 51.436 53.050 -0.281 0.000 0.870 347 N CB 2.466 40.664 38.487 -0.482 0.000 1.444 347 N HN 0.403 nan 8.380 nan 0.000 0.519 348 P HA 0.196 nan 4.420 nan 0.000 0.249 348 P C -1.131 176.332 177.300 0.271 0.000 1.583 348 P CA 0.219 63.253 63.100 -0.110 0.000 0.988 348 P CB -0.443 30.949 31.700 -0.514 0.000 1.530 349 Y N -0.415 120.064 120.300 0.298 0.000 2.630 349 Y HA 0.672 5.223 4.550 0.002 0.000 0.337 349 Y C 0.273 176.311 175.900 0.229 0.000 1.051 349 Y CA -1.693 56.522 58.100 0.191 0.000 1.121 349 Y CB 2.515 41.125 38.460 0.250 0.000 1.299 349 Y HN -0.284 nan 8.280 nan 0.000 0.498 350 I N 0.765 121.517 120.570 0.304 0.000 2.649 350 I HA 0.509 4.681 4.170 0.002 0.000 0.289 350 I C -0.439 175.864 176.117 0.312 0.000 1.222 350 I CA -0.401 61.068 61.300 0.281 0.000 1.046 350 I CB 1.518 39.597 38.000 0.131 0.000 1.272 350 I HN 0.787 nan 8.210 nan 0.000 0.425 351 G N 4.387 113.322 108.800 0.225 0.000 2.483 351 G HA2 0.100 4.062 3.960 0.002 0.000 0.248 351 G HA3 0.100 4.062 3.960 0.002 0.000 0.248 351 G C 0.350 175.183 174.900 -0.113 0.000 1.248 351 G CA -0.207 44.923 45.100 0.051 0.000 0.838 351 G HN 0.855 nan 8.290 nan 0.000 0.566 352 Q N 1.087 120.556 119.800 -0.552 0.000 2.234 352 Q HA -0.158 4.183 4.340 0.002 0.000 0.206 352 Q C 2.201 177.874 176.000 -0.546 0.000 0.980 352 Q CA 1.629 56.688 55.803 -1.240 0.000 0.869 352 Q CB -0.062 28.049 28.738 -1.045 0.000 0.912 352 Q HN 0.705 nan 8.270 nan 0.000 0.436 353 K N 0.357 120.595 120.400 -0.269 0.000 2.147 353 K HA -0.068 4.254 4.320 0.002 0.000 0.205 353 K C 0.639 177.228 176.600 -0.018 0.000 1.049 353 K CA 0.694 56.906 56.287 -0.126 0.000 0.936 353 K CB -0.123 32.334 32.500 -0.072 0.000 0.722 353 K HN 0.089 nan 8.250 nan 0.000 0.446 354 S N 1.122 116.850 115.700 0.047 0.000 2.558 354 S HA 0.017 4.489 4.470 0.002 0.000 0.293 354 S C -1.927 172.775 174.600 0.170 0.000 1.292 354 S CA -1.155 57.128 58.200 0.139 0.000 1.063 354 S CB 0.825 64.160 63.200 0.225 0.000 0.831 354 S HN 0.089 nan 8.310 nan 0.000 0.499 355 P HA -0.010 nan 4.420 nan 0.000 0.226 355 P C 1.052 178.460 177.300 0.181 0.000 1.153 355 P CA 0.257 63.445 63.100 0.146 0.000 0.777 355 P CB 0.163 31.940 31.700 0.129 0.000 0.794 356 V N -1.951 118.103 119.914 0.232 0.000 3.608 356 V HA -0.007 4.115 4.120 0.002 0.000 0.269 356 V C 1.674 177.871 176.094 0.172 0.000 1.245 356 V CA 0.287 62.731 62.300 0.241 0.000 1.138 356 V CB -1.133 30.918 31.823 0.381 0.000 0.841 356 V HN -0.055 nan 8.190 nan 0.000 0.451 357 F N 1.605 121.589 119.950 0.056 0.000 2.065 357 F HA -0.233 4.295 4.527 0.002 0.000 0.298 357 F C 2.372 178.148 175.800 -0.041 0.000 1.112 357 F CA 2.637 60.635 58.000 -0.005 0.000 1.212 357 F CB -0.197 38.799 39.000 -0.007 0.000 0.975 357 F HN 0.094 nan 8.300 nan 0.000 0.476 358 K N 0.301 120.814 120.400 0.187 0.000 2.113 358 K HA -0.303 4.018 4.320 0.002 0.000 0.208 358 K C 2.239 178.794 176.600 -0.075 0.000 1.047 358 K CA 1.965 58.293 56.287 0.069 0.000 0.928 358 K CB -0.401 32.155 32.500 0.093 0.000 0.716 358 K HN 0.536 nan 8.250 nan 0.000 0.446 359 E N 0.170 120.328 120.200 -0.069 0.000 2.031 359 E HA -0.213 4.138 4.350 0.002 0.000 0.193 359 E C 1.922 178.331 176.600 -0.317 0.000 0.994 359 E CA 1.029 57.350 56.400 -0.132 0.000 0.800 359 E CB 0.048 29.728 29.700 -0.034 0.000 0.752 359 E HN 0.167 nan 8.360 nan 0.000 0.447 360 L N 1.270 122.252 121.223 -0.401 0.000 2.079 360 L HA -0.198 4.143 4.340 0.002 0.000 0.210 360 L C 2.595 179.181 176.870 -0.475 0.000 1.081 360 L CA 1.734 56.254 54.840 -0.534 0.000 0.752 360 L CB -1.548 40.198 42.059 -0.521 0.000 0.896 360 L HN 0.375 nan 8.230 nan 0.000 0.433 361 Q N -0.050 119.485 119.800 -0.441 0.000 2.046 361 Q HA -0.206 4.135 4.340 0.002 0.000 0.200 361 Q C 2.038 177.904 176.000 -0.223 0.000 0.975 361 Q CA 1.655 57.265 55.803 -0.322 0.000 0.836 361 Q CB 0.126 28.706 28.738 -0.264 0.000 0.896 361 Q HN 0.538 nan 8.270 nan 0.000 0.428 362 E N 0.292 120.369 120.200 -0.205 0.000 2.118 362 E HA -0.197 4.154 4.350 0.002 0.000 0.195 362 E C 1.728 178.209 176.600 -0.199 0.000 0.992 362 E CA 1.221 57.528 56.400 -0.155 0.000 0.804 362 E CB 0.038 29.665 29.700 -0.121 0.000 0.741 362 E HN 0.283 nan 8.360 nan 0.000 0.458 363 K N -0.450 119.734 120.400 -0.362 0.000 2.426 363 K HA 0.080 4.401 4.320 0.002 0.000 0.193 363 K C 0.852 177.244 176.600 -0.347 0.000 1.028 363 K CA 0.447 56.442 56.287 -0.487 0.000 1.047 363 K CB 0.586 32.443 32.500 -1.071 0.000 0.821 363 K HN 0.210 nan 8.250 nan 0.000 0.513 364 G N 1.484 110.147 108.800 -0.228 0.000 2.246 364 G HA2 -0.245 3.716 3.960 0.002 0.000 0.273 364 G HA3 -0.245 3.716 3.960 0.002 0.000 0.273 364 G C 0.097 175.081 174.900 0.141 0.000 1.055 364 G CA -0.054 45.032 45.100 -0.024 0.000 0.851 364 G HN 0.266 nan 8.290 nan 0.000 0.500 365 Y N -0.805 119.423 120.300 -0.119 0.000 2.490 365 Y HA 0.389 4.940 4.550 0.002 0.000 0.281 365 Y C 1.812 177.653 175.900 -0.098 0.000 1.174 365 Y CA -0.451 57.586 58.100 -0.105 0.000 1.295 365 Y CB 0.073 38.435 38.460 -0.164 0.000 1.062 365 Y HN 0.358 nan 8.280 nan 0.000 0.522 366 L N 0.153 121.368 121.223 -0.013 0.000 2.344 366 L HA 0.303 4.644 4.340 0.002 0.000 0.272 366 L C -0.255 176.568 176.870 -0.078 0.000 1.035 366 L CA -1.355 53.419 54.840 -0.110 0.000 0.807 366 L CB 1.158 43.074 42.059 -0.238 0.000 1.237 366 L HN -0.183 nan 8.230 nan 0.000 0.442 367 L N 2.863 124.003 121.223 -0.139 0.000 2.513 367 L HA 0.084 4.425 4.340 0.002 0.000 0.272 367 L C -0.273 176.505 176.870 -0.154 0.000 1.187 367 L CA 0.671 55.355 54.840 -0.260 0.000 0.895 367 L CB -0.289 41.471 42.059 -0.498 0.000 1.147 367 L HN 0.470 nan 8.230 nan 0.000 0.483 368 K N 5.458 125.767 120.400 -0.152 0.000 2.208 368 K HA 0.572 4.893 4.320 0.002 0.000 0.247 368 K C -0.341 176.217 176.600 -0.070 0.000 0.953 368 K CA -0.904 55.346 56.287 -0.063 0.000 0.837 368 K CB 1.593 34.077 32.500 -0.028 0.000 1.131 368 K HN 0.543 nan 8.250 nan 0.000 0.431 369 R N 0.897 121.399 120.500 0.003 0.000 2.583 369 R HA 0.110 4.452 4.340 0.002 0.000 0.268 369 R C -1.839 174.458 176.300 -0.006 0.000 1.101 369 R CA -1.754 54.357 56.100 0.019 0.000 1.180 369 R CB -0.210 30.123 30.300 0.055 0.000 1.128 369 R HN 0.315 nan 8.270 nan 0.000 0.568 370 P HA -0.157 nan 4.420 nan 0.000 0.223 370 P C 0.252 177.554 177.300 0.004 0.000 1.144 370 P CA 1.260 64.362 63.100 0.003 0.000 0.783 370 P CB 0.058 31.766 31.700 0.013 0.000 0.771 371 D N -2.259 118.145 120.400 0.006 0.000 2.339 371 D HA 0.086 4.727 4.640 0.002 0.000 0.217 371 D C 1.458 177.759 176.300 0.002 0.000 1.050 371 D CA 0.592 54.594 54.000 0.004 0.000 0.856 371 D CB -0.499 40.304 40.800 0.005 0.000 0.922 371 D HN 0.205 nan 8.370 nan 0.000 0.518 372 G N 0.425 109.225 108.800 0.001 0.000 2.254 372 G HA2 -0.280 3.681 3.960 0.002 0.000 0.225 372 G HA3 -0.280 3.681 3.960 0.002 0.000 0.225 372 G C 0.474 175.373 174.900 -0.001 0.000 1.003 372 G CA 0.301 45.401 45.100 0.001 0.000 0.622 372 G HN 0.765 nan 8.290 nan 0.000 0.507 373 S N 0.847 116.547 115.700 -0.001 0.000 2.600 373 S HA 0.683 5.154 4.470 0.002 0.000 0.265 373 S C 0.583 175.184 174.600 0.001 0.000 1.325 373 S CA -0.637 57.561 58.200 -0.003 0.000 1.002 373 S CB 1.324 64.519 63.200 -0.008 0.000 0.921 373 S HN 0.659 nan 8.310 nan 0.000 0.554 374 L N 0.989 122.212 121.223 0.001 0.000 2.397 374 L HA 0.249 4.590 4.340 0.002 0.000 0.271 374 L C -0.018 176.866 176.870 0.022 0.000 1.148 374 L CA -0.577 54.272 54.840 0.015 0.000 0.825 374 L CB 0.355 42.432 42.059 0.030 0.000 1.117 374 L HN 0.839 nan 8.230 nan 0.000 0.456 375 W N 4.606 125.830 121.300 -0.127 0.000 2.345 375 W HA 0.285 4.946 4.660 0.002 0.000 0.308 375 W C -0.373 176.067 176.519 -0.132 0.000 1.273 375 W CA -0.035 57.216 57.345 -0.157 0.000 1.243 375 W CB 0.452 29.759 29.460 -0.255 0.000 1.260 375 W HN 0.456 nan 8.180 nan 0.000 0.509 376 Q N 5.339 124.629 119.800 -0.851 0.000 2.501 376 Q HA 0.465 4.807 4.340 0.002 0.000 0.288 376 Q C -1.108 174.405 176.000 -0.812 0.000 1.051 376 Q CA -0.901 54.513 55.803 -0.649 0.000 0.788 376 Q CB 2.765 31.365 28.738 -0.230 0.000 1.469 376 Q HN 0.557 nan 8.270 nan 0.000 0.416 377 W N 0.030 120.958 121.300 -0.620 0.000 2.926 377 W HA 0.396 5.057 4.660 0.002 0.000 0.361 377 W C -1.469 174.923 176.519 -0.211 0.000 1.195 377 W CA -0.849 56.245 57.345 -0.418 0.000 1.177 377 W CB -0.103 29.104 29.460 -0.421 0.000 1.453 377 W HN 0.545 nan 8.180 nan 0.000 0.571 378 D N 0.890 121.220 120.400 -0.116 0.000 2.368 378 D HA 0.043 4.684 4.640 0.002 0.000 0.218 378 D C 0.191 176.297 176.300 -0.323 0.000 1.112 378 D CA 0.197 54.080 54.000 -0.196 0.000 0.834 378 D CB 0.513 41.208 40.800 -0.175 0.000 0.953 378 D HN -0.004 nan 8.370 nan 0.000 0.505 379 K N 0.315 120.251 120.400 -0.773 0.000 2.270 379 K HA -0.014 4.307 4.320 0.002 0.000 0.276 379 K C 1.094 177.712 176.600 0.030 0.000 1.023 379 K CA -0.436 55.500 56.287 -0.586 0.000 0.955 379 K CB 1.507 33.244 32.500 -1.272 0.000 0.975 379 K HN 0.232 nan 8.250 nan 0.000 0.471 380 W N 0.264 121.560 121.300 -0.007 0.000 0.644 380 W HA -0.359 4.302 4.660 0.002 0.000 0.217 380 W C -0.754 175.842 176.519 0.129 0.000 0.935 380 W CA 1.654 59.090 57.345 0.152 0.000 0.519 380 W CB -0.443 29.153 29.460 0.226 0.000 1.885 380 W HN 0.557 nan 8.180 nan 0.000 0.774 381 Q N 0.094 119.903 119.800 0.016 0.000 2.421 381 Q HA 0.432 4.773 4.340 0.002 0.000 0.280 381 Q C -2.378 173.571 176.000 -0.086 0.000 1.085 381 Q CA -1.785 53.938 55.803 -0.133 0.000 0.807 381 Q CB 1.606 30.309 28.738 -0.059 0.000 1.405 381 Q HN -0.130 nan 8.270 nan 0.000 0.419 382 P HA 0.084 nan 4.420 nan 0.000 0.271 382 P C 0.342 177.522 177.300 -0.201 0.000 1.220 382 P CA 0.575 63.524 63.100 -0.252 0.000 0.768 382 P CB 0.377 31.814 31.700 -0.437 0.000 0.848 383 G N 3.067 111.768 108.800 -0.166 0.000 2.341 383 G HA2 -0.287 3.674 3.960 0.002 0.000 0.292 383 G HA3 -0.287 3.674 3.960 0.002 0.000 0.292 383 G C 0.021 174.873 174.900 -0.081 0.000 1.021 383 G CA -0.201 44.798 45.100 -0.169 0.000 0.905 383 G HN 0.607 nan 8.290 nan 0.000 0.508 384 L N 0.047 121.315 121.223 0.074 0.000 2.499 384 L HA 0.529 4.870 4.340 0.002 0.000 0.273 384 L C 0.749 177.750 176.870 0.217 0.000 1.195 384 L CA 0.341 55.306 54.840 0.209 0.000 0.882 384 L CB 0.479 42.753 42.059 0.357 0.000 1.133 384 L HN 0.529 nan 8.230 nan 0.000 0.483 385 A N 6.384 129.366 122.820 0.270 0.000 2.313 385 A HA 0.805 5.126 4.320 0.002 0.000 0.323 385 A C -0.753 176.874 177.584 0.073 0.000 1.133 385 A CA -0.746 51.405 52.037 0.190 0.000 0.847 385 A CB 1.116 20.211 19.000 0.158 0.000 1.308 385 A HN 0.708 nan 8.150 nan 0.000 0.475 386 I N 0.118 120.672 120.570 -0.028 0.000 2.509 386 I HA 0.262 4.433 4.170 0.002 0.000 0.293 386 I C -1.259 174.761 176.117 -0.161 0.000 1.020 386 I CA -0.474 60.787 61.300 -0.066 0.000 1.088 386 I CB 1.734 39.615 38.000 -0.199 0.000 1.267 386 I HN 0.644 nan 8.210 nan 0.000 0.430 387 Y N 3.290 123.515 120.300 -0.124 0.000 2.496 387 Y HA -0.001 4.550 4.550 0.002 0.000 0.334 387 Y C 0.707 176.346 175.900 -0.434 0.000 1.080 387 Y CA -0.027 57.868 58.100 -0.341 0.000 1.355 387 Y CB 0.247 38.329 38.460 -0.630 0.000 1.193 387 Y HN 0.425 nan 8.280 nan 0.000 0.523 388 D N 4.235 124.627 120.400 -0.012 0.000 2.435 388 D HA 0.028 4.669 4.640 0.002 0.000 0.230 388 D C -0.140 176.277 176.300 0.196 0.000 1.215 388 D CA -0.081 54.031 54.000 0.187 0.000 0.947 388 D CB -0.124 40.794 40.800 0.198 0.000 1.048 388 D HN 0.345 nan 8.370 nan 0.000 0.512 389 F N 1.600 121.713 119.950 0.271 0.000 2.772 389 F HA 0.027 4.555 4.527 0.002 0.000 0.302 389 F C 2.305 178.130 175.800 0.042 0.000 1.225 389 F CA 0.238 58.252 58.000 0.025 0.000 1.429 389 F CB -0.407 38.480 39.000 -0.188 0.000 1.104 389 F HN 0.267 nan 8.300 nan 0.000 0.550 390 T N -1.120 113.628 114.554 0.322 0.000 3.040 390 T HA 0.022 4.374 4.350 0.002 0.000 0.250 390 T C 0.662 175.483 174.700 0.200 0.000 1.058 390 T CA 0.076 62.341 62.100 0.275 0.000 0.988 390 T CB -0.316 68.786 68.868 0.389 0.000 0.993 390 T HN -0.000 nan 8.240 nan 0.000 0.519 391 N N 1.861 120.576 118.700 0.024 0.000 2.462 391 N HA 0.245 4.986 4.740 0.002 0.000 0.242 391 N C -2.123 173.196 175.510 -0.318 0.000 1.010 391 N CA -2.041 50.717 53.050 -0.486 0.000 0.939 391 N CB 1.889 40.047 38.487 -0.549 0.000 1.127 391 N HN -0.005 nan 8.380 nan 0.000 0.509 392 P HA -0.171 nan 4.420 nan 0.000 0.217 392 P C 0.416 177.615 177.300 -0.168 0.000 1.158 392 P CA 1.388 64.407 63.100 -0.134 0.000 0.887 392 P CB 0.406 32.064 31.700 -0.071 0.000 0.792 393 D N -1.466 118.773 120.400 -0.270 0.000 2.178 393 D HA -0.057 4.584 4.640 0.002 0.000 0.202 393 D C 1.980 177.887 176.300 -0.654 0.000 0.974 393 D CA 1.347 55.149 54.000 -0.331 0.000 0.841 393 D CB -0.727 39.945 40.800 -0.214 0.000 0.953 393 D HN 0.092 nan 8.370 nan 0.000 0.478 394 A N 0.150 122.545 122.820 -0.708 0.000 1.930 394 A HA -0.141 4.180 4.320 0.002 0.000 0.217 394 A C 2.460 180.052 177.584 0.014 0.000 1.175 394 A CA 0.963 52.682 52.037 -0.530 0.000 0.627 394 A CB -0.781 18.109 19.000 -0.183 0.000 0.815 394 A HN 0.321 nan 8.150 nan 0.000 0.443 395 C N -0.577 118.741 119.300 0.030 0.000 2.436 395 C HA -0.067 4.394 4.460 0.002 0.000 0.277 395 C C 2.689 177.700 174.990 0.036 0.000 1.241 395 C CA 1.310 60.368 59.018 0.066 0.000 1.721 395 C CB -0.972 26.752 27.740 -0.028 0.000 2.043 395 C HN 0.747 nan 8.230 nan 0.000 0.472 396 K N -0.592 119.799 120.400 -0.015 0.000 2.044 396 K HA -0.275 4.047 4.320 0.002 0.000 0.210 396 K C 2.019 178.642 176.600 0.038 0.000 1.049 396 K CA 2.177 58.458 56.287 -0.010 0.000 0.927 396 K CB -0.400 32.093 32.500 -0.012 0.000 0.713 396 K HN 0.692 nan 8.250 nan 0.000 0.443 397 W N 0.424 121.665 121.300 -0.098 0.000 2.354 397 W HA -0.272 4.390 4.660 0.002 0.000 0.315 397 W C 2.037 178.535 176.519 -0.035 0.000 1.206 397 W CA 1.920 59.256 57.345 -0.016 0.000 1.290 397 W CB -0.575 28.923 29.460 0.064 0.000 1.152 397 W HN 0.193 nan 8.180 nan 0.000 0.489 398 Y N 0.884 121.297 120.300 0.189 0.000 2.128 398 Y HA -0.238 4.313 4.550 0.002 0.000 0.284 398 Y C 2.438 178.100 175.900 -0.396 0.000 1.154 398 Y CA 2.918 60.965 58.100 -0.087 0.000 1.149 398 Y CB -0.998 37.505 38.460 0.071 0.000 0.976 398 Y HN 0.004 nan 8.280 nan 0.000 0.505 399 A N -0.138 122.620 122.820 -0.103 0.000 1.978 399 A HA -0.200 4.121 4.320 0.002 0.000 0.220 399 A C 1.815 179.203 177.584 -0.325 0.000 1.170 399 A CA 2.015 53.919 52.037 -0.221 0.000 0.636 399 A CB -0.698 18.218 19.000 -0.141 0.000 0.810 399 A HN 0.549 nan 8.150 nan 0.000 0.448 400 D N -0.344 119.847 120.400 -0.348 0.000 2.224 400 D HA -0.066 4.576 4.640 0.002 0.000 0.205 400 D C 1.730 177.747 176.300 -0.471 0.000 0.965 400 D CA 0.803 54.594 54.000 -0.348 0.000 0.852 400 D CB -0.099 40.520 40.800 -0.302 0.000 0.947 400 D HN 0.220 nan 8.370 nan 0.000 0.494 401 K N 0.353 120.298 120.400 -0.758 0.000 2.103 401 K HA -0.001 4.320 4.320 0.002 0.000 0.204 401 K C 1.995 178.150 176.600 -0.741 0.000 1.052 401 K CA 0.088 55.848 56.287 -0.879 0.000 0.945 401 K CB -0.373 31.212 32.500 -1.527 0.000 0.722 401 K HN 0.126 nan 8.250 nan 0.000 0.443 402 L N 1.674 122.420 121.223 -0.796 0.000 2.017 402 L HA -0.119 4.222 4.340 0.002 0.000 0.208 402 L C 1.993 178.770 176.870 -0.154 0.000 1.073 402 L CA 1.744 56.279 54.840 -0.509 0.000 0.745 402 L CB -0.606 41.082 42.059 -0.618 0.000 0.894 402 L HN 0.096 nan 8.230 nan 0.000 0.432 403 K N -1.051 119.230 120.400 -0.199 0.000 2.147 403 K HA -0.095 4.226 4.320 0.002 0.000 0.205 403 K C 2.008 178.552 176.600 -0.093 0.000 1.049 403 K CA 1.062 57.282 56.287 -0.111 0.000 0.936 403 K CB -0.522 31.898 32.500 -0.133 0.000 0.722 403 K HN 0.444 nan 8.250 nan 0.000 0.446 404 G N 1.028 109.748 108.800 -0.134 0.000 2.422 404 G HA2 -0.190 3.771 3.960 0.002 0.000 0.218 404 G HA3 -0.190 3.771 3.960 0.002 0.000 0.218 404 G C 1.406 176.297 174.900 -0.014 0.000 1.140 404 G CA 0.416 45.467 45.100 -0.082 0.000 0.775 404 G HN 0.103 nan 8.290 nan 0.000 0.545 405 L N 0.122 121.358 121.223 0.023 0.000 2.131 405 L HA 0.012 4.354 4.340 0.002 0.000 0.206 405 L C 2.893 179.771 176.870 0.013 0.000 1.087 405 L CA 0.147 55.039 54.840 0.087 0.000 0.767 405 L CB -0.203 41.977 42.059 0.202 0.000 0.917 405 L HN 0.068 nan 8.230 nan 0.000 0.441 406 V N 0.192 120.117 119.914 0.019 0.000 2.358 406 V HA -0.140 3.981 4.120 0.002 0.000 0.246 406 V C 1.789 177.837 176.094 -0.077 0.000 1.047 406 V CA 0.991 63.259 62.300 -0.053 0.000 1.035 406 V CB -0.879 30.928 31.823 -0.028 0.000 0.658 406 V HN 0.403 nan 8.190 nan 0.000 0.452 410 V N 2.056 121.854 119.914 -0.193 0.000 2.585 410 V HA 0.183 4.304 4.120 0.002 0.000 0.296 410 V C 0.662 176.562 176.094 -0.324 0.000 1.035 410 V CA 0.516 62.657 62.300 -0.265 0.000 1.084 410 V CB 1.371 33.013 31.823 -0.302 0.000 0.953 410 V HN 0.255 nan 8.190 nan 0.000 0.483 411 D N 2.358 122.555 120.400 -0.337 0.000 2.355 411 D HA 0.142 4.783 4.640 0.002 0.000 0.206 411 D C 0.431 176.587 176.300 -0.240 0.000 1.010 411 D CA 0.748 54.582 54.000 -0.276 0.000 0.875 411 D CB 0.684 41.279 40.800 -0.342 0.000 0.966 411 D HN 0.759 nan 8.370 nan 0.000 0.512 412 C N -1.458 117.593 119.300 -0.415 0.000 3.295 412 C HA 0.756 5.218 4.460 0.002 0.000 0.341 412 C C -1.618 173.006 174.990 -0.609 0.000 1.418 412 C CA -1.324 57.474 59.018 -0.368 0.000 1.240 412 C CB 0.702 28.499 27.740 0.096 0.000 1.562 412 C HN -0.058 nan 8.230 nan 0.000 0.457 413 F N 0.461 120.471 119.950 0.099 0.000 2.576 413 F HA 0.678 5.206 4.527 0.002 0.000 0.313 413 F C 0.010 175.852 175.800 0.070 0.000 1.078 413 F CA -0.651 57.396 58.000 0.078 0.000 0.921 413 F CB 1.764 40.784 39.000 0.034 0.000 1.232 413 F HN 0.773 nan 8.300 nan 0.000 0.459 414 K N 1.645 122.204 120.400 0.265 0.000 2.266 414 K HA 0.318 4.639 4.320 0.002 0.000 0.274 414 K C -0.607 175.984 176.600 -0.014 0.000 1.090 414 K CA -0.369 55.967 56.287 0.082 0.000 0.925 414 K CB 0.501 33.012 32.500 0.017 0.000 1.225 414 K HN 0.748 nan 8.250 nan 0.000 0.458 415 T N 1.285 115.816 114.554 -0.037 0.000 2.987 415 T HA 0.106 4.457 4.350 0.002 0.000 0.288 415 T C -0.020 174.673 174.700 -0.011 0.000 0.981 415 T CA -0.815 61.227 62.100 -0.097 0.000 1.031 415 T CB 0.297 68.946 68.868 -0.364 0.000 0.976 415 T HN 0.397 nan 8.240 nan 0.000 0.612 416 D N 1.478 121.846 120.400 -0.055 0.000 2.348 416 D HA 0.517 5.159 4.640 0.002 0.000 0.249 416 D C 0.708 177.143 176.300 0.226 0.000 1.110 416 D CA -0.824 53.181 54.000 0.007 0.000 0.967 416 D CB 0.342 41.156 40.800 0.023 0.000 1.139 416 D HN 0.432 nan 8.370 nan 0.000 0.466 417 F N -0.181 119.767 119.950 -0.003 0.000 2.089 417 F HA -0.196 4.332 4.527 0.002 0.000 0.296 417 F C 1.801 177.665 175.800 0.106 0.000 0.129 417 F CA 1.356 59.364 58.000 0.014 0.000 0.853 417 F CB -1.426 37.468 39.000 -0.176 0.000 3.845 417 F HN 0.571 nan 8.300 nan 0.000 0.279 418 G N -1.284 107.716 108.800 0.332 0.000 2.179 418 G HA2 -0.205 3.756 3.960 0.002 0.000 0.220 418 G HA3 -0.205 3.756 3.960 0.002 0.000 0.220 418 G C 0.516 175.585 174.900 0.283 0.000 0.990 418 G CA 0.641 45.932 45.100 0.319 0.000 0.646 418 G HN 0.719 nan 8.290 nan 0.000 0.517 419 E N 0.276 120.650 120.200 0.289 0.000 2.075 419 E HA 0.197 4.548 4.350 0.002 0.000 0.190 419 E C 1.670 178.268 176.600 -0.004 0.000 0.969 419 E CA 0.392 56.873 56.400 0.135 0.000 0.815 419 E CB -0.055 29.802 29.700 0.262 0.000 0.776 419 E HN 0.441 nan 8.360 nan 0.000 0.457 420 R N 1.562 122.179 120.500 0.193 0.000 3.688 420 R HA 0.119 4.460 4.340 0.002 0.000 0.194 420 R C -0.530 175.686 176.300 -0.139 0.000 1.677 420 R CA -0.048 56.148 56.100 0.160 0.000 1.351 420 R CB -0.189 30.343 30.300 0.386 0.000 1.338 420 R HN 0.084 nan 8.270 nan 0.000 0.731 421 I N 4.270 124.684 120.570 -0.260 0.000 2.312 421 I HA 0.210 4.381 4.170 0.002 0.000 0.291 421 I C -1.621 174.388 176.117 -0.181 0.000 1.031 421 I CA -3.302 57.776 61.300 -0.370 0.000 1.293 421 I CB 0.714 38.481 38.000 -0.389 0.000 1.403 421 I HN 0.130 nan 8.210 nan 0.000 0.484 422 P HA 0.131 nan 4.420 nan 0.000 0.270 422 P C 0.457 177.641 177.300 -0.192 0.000 1.223 422 P CA 0.061 62.849 63.100 -0.520 0.000 0.785 422 P CB 0.918 31.772 31.700 -1.410 0.000 0.923 423 T N -4.105 110.437 114.554 -0.021 0.000 2.959 423 T HA 0.034 4.385 4.350 0.002 0.000 0.254 423 T C 0.408 175.137 174.700 0.048 0.000 1.003 423 T CA -0.150 62.012 62.100 0.103 0.000 0.950 423 T CB -0.449 68.547 68.868 0.214 0.000 1.090 423 T HN 0.391 nan 8.240 nan 0.000 0.503 424 D N 2.160 122.572 120.400 0.020 0.000 2.619 424 D HA 0.480 5.122 4.640 0.002 0.000 0.224 424 D C -0.139 176.160 176.300 -0.001 0.000 1.133 424 D CA -0.417 53.612 54.000 0.049 0.000 1.017 424 D CB 0.637 41.500 40.800 0.106 0.000 1.077 424 D HN 0.282 nan 8.370 nan 0.000 0.503 425 V N 0.079 119.951 119.914 -0.070 0.000 3.253 425 V HA 0.364 4.485 4.120 0.002 0.000 0.300 425 V C -1.935 174.056 176.094 -0.171 0.000 1.398 425 V CA -0.874 61.319 62.300 -0.178 0.000 1.067 425 V CB 2.588 34.140 31.823 -0.451 0.000 1.102 425 V HN 0.410 nan 8.190 nan 0.000 0.455 426 Q N 1.576 121.243 119.800 -0.222 0.000 2.347 426 Q HA 0.381 4.722 4.340 0.002 0.000 0.265 426 Q C -1.864 174.051 176.000 -0.141 0.000 1.024 426 Q CA -0.495 55.245 55.803 -0.106 0.000 0.731 426 Q CB 1.281 30.002 28.738 -0.029 0.000 1.245 426 Q HN 0.682 nan 8.270 nan 0.000 0.472 427 W N 3.006 124.342 121.300 0.059 0.000 2.170 427 W HA 0.125 4.787 4.660 0.002 0.000 0.336 427 W C 1.118 177.723 176.519 0.144 0.000 1.283 427 W CA -0.465 56.946 57.345 0.110 0.000 1.224 427 W CB 0.336 29.866 29.460 0.117 0.000 1.132 427 W HN 0.723 nan 8.180 nan 0.000 0.571 428 F N 2.594 122.716 119.950 0.287 0.000 2.115 428 F HA -0.364 4.164 4.527 0.002 0.000 0.300 428 F C 2.188 178.094 175.800 0.178 0.000 1.092 428 F CA 2.446 60.562 58.000 0.193 0.000 1.245 428 F CB -0.062 39.051 39.000 0.187 0.000 0.995 428 F HN 0.396 nan 8.300 nan 0.000 0.481 429 D N -0.796 119.843 120.400 0.399 0.000 2.328 429 D HA 0.109 4.750 4.640 0.002 0.000 0.226 429 D C 1.559 177.944 176.300 0.142 0.000 1.066 429 D CA 0.734 54.875 54.000 0.234 0.000 0.861 429 D CB -0.698 40.258 40.800 0.260 0.000 0.912 429 D HN 0.426 nan 8.370 nan 0.000 0.521 430 G N 0.001 108.901 108.800 0.166 0.000 2.198 430 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 430 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 430 G C 0.294 175.281 174.900 0.146 0.000 1.025 430 G CA 0.356 45.538 45.100 0.137 0.000 0.769 430 G HN 0.427 nan 8.290 nan 0.000 0.507 431 S N -0.195 115.608 115.700 0.172 0.000 2.584 431 S HA 0.331 4.802 4.470 0.002 0.000 0.270 431 S C 0.438 175.112 174.600 0.123 0.000 1.346 431 S CA 0.025 58.261 58.200 0.061 0.000 1.018 431 S CB 1.036 64.169 63.200 -0.112 0.000 0.899 431 S HN 0.475 nan 8.310 nan 0.000 0.542 432 D N 1.417 121.849 120.400 0.052 0.000 2.358 432 D HA 0.194 4.835 4.640 0.002 0.000 0.258 432 D C -1.659 174.733 176.300 0.154 0.000 1.223 432 D CA -2.042 52.020 54.000 0.104 0.000 0.886 432 D CB 0.992 41.833 40.800 0.067 0.000 1.120 432 D HN 0.040 nan 8.370 nan 0.000 0.482 433 P HA -0.166 nan 4.420 nan 0.000 0.216 433 P C 1.200 178.694 177.300 0.322 0.000 1.150 433 P CA 1.001 64.337 63.100 0.393 0.000 0.843 433 P CB 0.281 32.177 31.700 0.327 0.000 0.787 434 Q N -0.146 119.815 119.800 0.268 0.000 2.170 434 Q HA -0.065 4.277 4.340 0.002 0.000 0.203 434 Q C 0.874 177.080 176.000 0.343 0.000 0.976 434 Q CA 1.272 57.277 55.803 0.337 0.000 0.858 434 Q CB -0.393 28.479 28.738 0.222 0.000 0.907 434 Q HN 0.439 nan 8.270 nan 0.000 0.433 438 N N 0.023 118.689 118.700 -0.057 0.000 2.251 438 N HA -0.085 4.656 4.740 0.002 0.000 0.181 438 N C 1.604 177.220 175.510 0.177 0.000 1.019 438 N CA 1.286 54.364 53.050 0.047 0.000 0.862 438 N CB -0.375 38.249 38.487 0.227 0.000 0.992 438 N HN 0.487 nan 8.380 nan 0.000 0.429 439 H N -0.649 118.488 119.070 0.112 0.000 2.545 439 H HA -0.110 4.447 4.556 0.002 0.000 0.282 439 H C 1.352 176.790 175.328 0.184 0.000 1.020 439 H CA 0.627 56.765 56.048 0.150 0.000 1.243 439 H CB 0.172 29.959 29.762 0.041 0.000 1.377 439 H HN 0.253 nan 8.280 nan 0.000 0.581 440 Y N 0.721 121.010 120.300 -0.019 0.000 2.293 440 Y HA -0.140 4.412 4.550 0.002 0.000 0.291 440 Y C 2.519 178.489 175.900 0.117 0.000 1.137 440 Y CA 1.318 59.414 58.100 -0.007 0.000 1.202 440 Y CB -0.299 38.140 38.460 -0.034 0.000 0.990 440 Y HN 0.232 nan 8.280 nan 0.000 0.537 441 A N -0.651 122.352 122.820 0.305 0.000 1.972 441 A HA -0.230 4.091 4.320 0.002 0.000 0.219 441 A C 2.053 179.758 177.584 0.201 0.000 1.169 441 A CA 1.702 53.935 52.037 0.326 0.000 0.635 441 A CB -1.345 17.824 19.000 0.282 0.000 0.810 441 A HN 0.714 nan 8.150 nan 0.000 0.446 442 Y N 0.363 120.635 120.300 -0.046 0.000 2.130 442 Y HA -0.132 4.420 4.550 0.002 0.000 0.287 442 Y C 2.060 177.866 175.900 -0.158 0.000 1.124 442 Y CA 1.724 59.764 58.100 -0.100 0.000 1.118 442 Y CB -0.335 37.915 38.460 -0.351 0.000 0.994 442 Y HN 0.229 nan 8.280 nan 0.000 0.497 443 I N -0.363 120.107 120.570 -0.166 0.000 2.145 443 I HA -0.406 3.766 4.170 0.002 0.000 0.244 443 I C 2.338 178.240 176.117 -0.358 0.000 1.075 443 I CA 2.094 63.262 61.300 -0.221 0.000 1.332 443 I CB -0.772 37.131 38.000 -0.162 0.000 1.033 443 I HN 0.382 nan 8.210 nan 0.000 0.410 444 Y N 2.304 122.310 120.300 -0.489 0.000 2.097 444 Y HA -0.286 4.265 4.550 0.002 0.000 0.282 444 Y C 2.142 177.765 175.900 -0.462 0.000 1.152 444 Y CA 2.041 59.818 58.100 -0.539 0.000 1.136 444 Y CB -0.900 37.417 38.460 -0.238 0.000 0.975 444 Y HN 0.195 nan 8.280 nan 0.000 0.498 445 N N 0.093 118.479 118.700 -0.523 0.000 2.331 445 N HA -0.106 4.635 4.740 0.002 0.000 0.180 445 N C 1.835 176.833 175.510 -0.853 0.000 1.019 445 N CA 1.011 53.686 53.050 -0.626 0.000 0.881 445 N CB -0.211 38.105 38.487 -0.284 0.000 0.972 445 N HN 0.581 nan 8.380 nan 0.000 0.435 446 E N 0.421 120.059 120.200 -0.936 0.000 2.107 446 E HA -0.122 4.229 4.350 0.002 0.000 0.191 446 E C 1.720 177.911 176.600 -0.682 0.000 0.982 446 E CA 0.507 56.194 56.400 -1.189 0.000 0.809 446 E CB 0.067 29.295 29.700 -0.787 0.000 0.756 446 E HN 0.229 nan 8.360 nan 0.000 0.459 447 L N 0.945 121.833 121.223 -0.558 0.000 2.056 447 L HA -0.100 4.242 4.340 0.002 0.000 0.207 447 L C 2.222 178.874 176.870 -0.363 0.000 1.078 447 L CA 1.257 55.826 54.840 -0.451 0.000 0.749 447 L CB -0.665 41.017 42.059 -0.629 0.000 0.901 447 L HN 0.108 nan 8.230 nan 0.000 0.433 448 V N -0.839 118.842 119.914 -0.387 0.000 2.453 448 V HA -0.285 3.836 4.120 0.002 0.000 0.247 448 V C 2.282 178.273 176.094 -0.173 0.000 1.048 448 V CA 1.758 63.890 62.300 -0.281 0.000 1.049 448 V CB -0.728 30.910 31.823 -0.309 0.000 0.672 448 V HN 0.632 nan 8.190 nan 0.000 0.457 449 W N 1.374 122.403 121.300 -0.451 0.000 2.358 449 W HA -0.184 4.477 4.660 0.002 0.000 0.303 449 W C 2.173 178.539 176.519 -0.255 0.000 1.208 449 W CA 1.744 58.868 57.345 -0.368 0.000 1.274 449 W CB -0.354 28.690 29.460 -0.692 0.000 1.138 449 W HN 0.329 nan 8.180 nan 0.000 0.515 450 N N 0.659 119.268 118.700 -0.152 0.000 2.364 450 N HA -0.148 4.593 4.740 0.002 0.000 0.183 450 N C 1.683 177.087 175.510 -0.176 0.000 1.022 450 N CA 1.424 54.387 53.050 -0.144 0.000 0.883 450 N CB -0.604 37.815 38.487 -0.113 0.000 0.965 450 N HN 0.077 nan 8.380 nan 0.000 0.438 451 V N 1.259 121.065 119.914 -0.180 0.000 2.323 451 V HA -0.120 4.001 4.120 0.002 0.000 0.244 451 V C 2.367 178.380 176.094 -0.134 0.000 1.041 451 V CA 1.022 63.236 62.300 -0.143 0.000 1.025 451 V CB -0.362 31.378 31.823 -0.139 0.000 0.656 451 V HN 0.211 nan 8.190 nan 0.000 0.451 452 L N 0.065 121.186 121.223 -0.170 0.000 2.017 452 L HA -0.213 4.128 4.340 0.002 0.000 0.208 452 L C 2.596 179.295 176.870 -0.285 0.000 1.073 452 L CA 2.058 56.772 54.840 -0.209 0.000 0.745 452 L CB -0.687 41.190 42.059 -0.302 0.000 0.894 452 L HN 0.324 nan 8.230 nan 0.000 0.432 453 K N 0.015 120.168 120.400 -0.412 0.000 2.152 453 K HA -0.217 4.104 4.320 0.002 0.000 0.206 453 K C 1.369 177.870 176.600 -0.164 0.000 1.048 453 K CA 1.799 57.894 56.287 -0.321 0.000 0.933 453 K CB 0.030 32.337 32.500 -0.322 0.000 0.721 453 K HN 0.268 nan 8.250 nan 0.000 0.447 454 D N -0.181 120.134 120.400 -0.142 0.000 2.249 454 D HA -0.065 4.576 4.640 0.002 0.000 0.205 454 D C 1.687 177.937 176.300 -0.084 0.000 0.962 454 D CA 1.470 55.414 54.000 -0.093 0.000 0.860 454 D CB 0.222 40.969 40.800 -0.087 0.000 0.955 454 D HN 0.490 nan 8.370 nan 0.000 0.505 455 T N -1.372 113.125 114.554 -0.095 0.000 3.364 455 T HA 0.006 4.357 4.350 0.002 0.000 0.190 455 T C 2.160 176.812 174.700 -0.079 0.000 0.798 455 T CA 1.069 63.122 62.100 -0.079 0.000 1.773 455 T CB -0.902 67.922 68.868 -0.074 0.000 2.078 455 T HN -0.084 nan 8.240 nan 0.000 0.437 456 V N 0.537 120.400 119.914 -0.084 0.000 2.363 456 V HA 0.262 4.383 4.120 0.002 0.000 0.254 456 V C 1.411 177.466 176.094 -0.064 0.000 1.074 456 V CA 1.193 63.450 62.300 -0.072 0.000 1.069 456 V CB -2.142 29.641 31.823 -0.067 0.000 0.659 456 V HN 1.715 nan 8.190 nan 0.000 0.455 457 G N -1.325 107.418 108.800 -0.096 0.000 2.592 457 G HA2 -0.046 3.915 3.960 0.002 0.000 0.685 457 G HA3 -0.046 3.915 3.960 0.002 0.000 0.685 457 G C -0.133 174.690 174.900 -0.128 0.000 1.278 457 G CA 0.078 45.128 45.100 -0.084 0.000 0.822 457 G HN 0.175 nan 8.290 nan 0.000 0.652 458 E N -0.304 119.833 120.200 -0.105 0.000 2.209 458 E HA -0.130 4.221 4.350 0.002 0.000 0.196 458 E C 1.972 178.557 176.600 -0.024 0.000 0.993 458 E CA 1.336 57.675 56.400 -0.101 0.000 0.819 458 E CB 0.143 29.861 29.700 0.029 0.000 0.745 458 E HN 0.626 nan 8.360 nan 0.000 0.477 459 E N 0.148 120.358 120.200 0.016 0.000 2.285 459 E HA -0.111 4.241 4.350 0.002 0.000 0.194 459 E C 0.868 177.506 176.600 0.064 0.000 0.997 459 E CA 0.507 56.947 56.400 0.067 0.000 0.845 459 E CB 0.348 30.093 29.700 0.075 0.000 0.782 459 E HN 0.150 nan 8.360 nan 0.000 0.491 460 E N -0.344 119.876 120.200 0.034 0.000 2.501 460 E HA 0.159 4.510 4.350 0.002 0.000 0.201 460 E C -0.232 176.384 176.600 0.026 0.000 1.016 460 E CA -0.129 56.337 56.400 0.109 0.000 0.920 460 E CB 0.983 30.775 29.700 0.153 0.000 1.023 460 E HN 0.062 nan 8.360 nan 0.000 0.474 461 A N 1.235 123.956 122.820 -0.164 0.000 2.328 461 A HA 0.510 4.831 4.320 0.002 0.000 0.284 461 A C 0.076 177.563 177.584 -0.161 0.000 1.160 461 A CA -0.325 51.481 52.037 -0.386 0.000 0.818 461 A CB 0.482 18.797 19.000 -1.142 0.000 1.087 461 A HN -0.036 nan 8.150 nan 0.000 0.504 462 V N 1.909 121.830 119.914 0.011 0.000 3.087 462 V HA 0.685 4.806 4.120 0.002 0.000 0.306 462 V C -0.954 175.306 176.094 0.276 0.000 1.187 462 V CA -0.749 61.674 62.300 0.206 0.000 0.999 462 V CB 1.558 33.439 31.823 0.097 0.000 1.049 462 V HN 0.779 nan 8.190 nan 0.000 0.431 463 L N 1.813 123.210 121.223 0.290 0.000 2.359 463 L HA 0.675 5.016 4.340 0.002 0.000 0.256 463 L C -1.233 175.771 176.870 0.223 0.000 1.026 463 L CA -0.425 54.556 54.840 0.235 0.000 0.828 463 L CB 2.256 44.419 42.059 0.174 0.000 1.406 463 L HN 0.675 nan 8.230 nan 0.000 0.413 464 F N 1.534 121.384 119.950 -0.166 0.000 2.564 464 F HA 0.629 5.158 4.527 0.002 0.000 0.368 464 F C 0.035 175.699 175.800 -0.226 0.000 1.127 464 F CA -0.757 57.060 58.000 -0.305 0.000 1.170 464 F CB 1.283 39.984 39.000 -0.498 0.000 1.397 464 F HN 0.489 nan 8.300 nan 0.000 0.493 465 A N 3.768 126.493 122.820 -0.157 0.000 2.274 465 A HA 0.412 4.734 4.320 0.002 0.000 0.309 465 A C 1.028 178.619 177.584 0.012 0.000 1.226 465 A CA -0.531 51.431 52.037 -0.127 0.000 0.853 465 A CB 0.898 19.734 19.000 -0.274 0.000 1.146 465 A HN 0.914 nan 8.150 nan 0.000 0.518 466 R N 1.702 122.239 120.500 0.061 0.000 2.127 466 R HA 0.076 4.417 4.340 0.002 0.000 0.217 466 R C 0.716 177.043 176.300 0.044 0.000 1.074 466 R CA 1.142 57.257 56.100 0.026 0.000 0.991 466 R CB 0.115 30.356 30.300 -0.098 0.000 0.895 466 R HN 0.644 nan 8.270 nan 0.000 0.450 467 S N -1.286 114.502 115.700 0.146 0.000 2.704 467 S HA 0.820 5.291 4.470 0.002 0.000 0.305 467 S C -1.350 173.409 174.600 0.265 0.000 1.107 467 S CA -0.267 58.066 58.200 0.223 0.000 0.993 467 S CB 1.873 65.231 63.200 0.264 0.000 1.110 467 S HN 0.387 nan 8.310 nan 0.000 0.534 468 A N 1.027 123.987 122.820 0.234 0.000 2.567 468 A HA 0.767 5.088 4.320 0.002 0.000 0.291 468 A C -0.872 176.854 177.584 0.237 0.000 1.048 468 A CA -0.493 51.698 52.037 0.256 0.000 0.661 468 A CB 1.048 20.118 19.000 0.116 0.000 1.288 468 A HN 0.866 nan 8.150 nan 0.000 0.424 469 S N -0.967 114.912 115.700 0.300 0.000 2.625 469 S HA 0.581 5.052 4.470 0.002 0.000 0.271 469 S C -0.870 173.847 174.600 0.196 0.000 1.161 469 S CA -0.147 58.216 58.200 0.271 0.000 0.820 469 S CB 1.370 64.760 63.200 0.316 0.000 1.137 469 S HN 1.708 nan 8.310 nan 0.000 0.470 470 V N 3.037 122.943 119.914 -0.013 0.000 2.644 470 V HA 0.296 4.418 4.120 0.002 0.000 0.303 470 V C 1.807 177.720 176.094 -0.302 0.000 1.058 470 V CA 2.200 64.309 62.300 -0.319 0.000 1.228 470 V CB -0.252 30.928 31.823 -1.072 0.000 0.861 470 V HN 1.574 nan 8.190 nan 0.000 0.484 471 G N 4.261 112.865 108.800 -0.326 0.000 2.258 471 G HA2 -0.209 3.752 3.960 0.002 0.000 0.233 471 G HA3 -0.209 3.752 3.960 0.002 0.000 0.233 471 G C 0.945 175.720 174.900 -0.209 0.000 1.006 471 G CA 0.252 45.167 45.100 -0.308 0.000 0.620 471 G HN 1.482 nan 8.290 nan 0.000 0.511 472 A N 1.012 123.823 122.820 -0.014 0.000 2.216 472 A HA 0.170 4.492 4.320 0.002 0.000 0.214 472 A C 2.197 179.603 177.584 -0.297 0.000 1.160 472 A CA 2.062 54.084 52.037 -0.024 0.000 0.725 472 A CB -0.352 18.885 19.000 0.395 0.000 0.784 472 A HN 0.929 nan 8.150 nan 0.000 0.472 473 Q N 0.500 119.834 119.800 -0.777 0.000 2.437 473 Q HA -0.107 4.234 4.340 0.002 0.000 0.210 473 Q C 1.074 176.729 176.000 -0.575 0.000 0.972 473 Q CA 1.419 56.666 55.803 -0.928 0.000 0.903 473 Q CB -0.439 27.460 28.738 -1.397 0.000 0.967 473 Q HN 0.643 nan 8.270 nan 0.000 0.486 474 K N 0.309 120.205 120.400 -0.839 0.000 2.439 474 K HA 0.043 4.364 4.320 0.002 0.000 0.197 474 K C -0.021 175.897 176.600 -1.137 0.000 1.041 474 K CA 0.520 56.239 56.287 -0.946 0.000 0.970 474 K CB 0.074 31.886 32.500 -1.146 0.000 0.773 474 K HN 0.231 nan 8.250 nan 0.000 0.479 475 F N 1.332 120.879 119.950 -0.671 0.000 2.532 475 F HA 0.276 4.804 4.527 0.002 0.000 0.313 475 F C -2.296 173.207 175.800 -0.495 0.000 1.301 475 F CA -2.829 54.535 58.000 -1.060 0.000 1.154 475 F CB 0.354 38.940 39.000 -0.689 0.000 1.335 475 F HN -0.306 nan 8.300 nan 0.000 0.542 476 P HA -0.191 nan 4.420 nan 0.000 0.269 476 P C -0.205 177.049 177.300 -0.077 0.000 1.153 476 P CA 0.730 63.827 63.100 -0.006 0.000 0.754 476 P CB 0.407 32.077 31.700 -0.049 0.000 0.758 477 V N 1.201 121.091 119.914 -0.039 0.000 4.139 477 V HA -0.209 3.912 4.120 0.002 0.000 0.423 477 V C -0.167 175.711 176.094 -0.359 0.000 0.673 477 V CA 0.575 62.711 62.300 -0.273 0.000 1.778 477 V CB -2.222 29.243 31.823 -0.597 0.000 2.178 477 V HN 0.680 nan 8.190 nan 0.000 0.486 478 H N 2.704 121.715 119.070 -0.098 0.000 2.473 478 H HA 0.539 5.097 4.556 0.002 0.000 0.327 478 H C -0.177 175.000 175.328 -0.253 0.000 1.105 478 H CA -0.076 55.922 56.048 -0.084 0.000 1.280 478 H CB 1.022 30.783 29.762 -0.002 0.000 1.450 478 H HN 0.720 nan 8.280 nan 0.000 0.492 479 W N 3.937 124.977 121.300 -0.434 0.000 2.331 479 W HA 0.341 5.002 4.660 0.002 0.000 0.306 479 W C 1.119 177.440 176.519 -0.329 0.000 1.162 479 W CA -0.753 56.233 57.345 -0.598 0.000 1.232 479 W CB 0.847 29.965 29.460 -0.569 0.000 1.235 479 W HN 0.811 nan 8.180 nan 0.000 0.479 480 G N 3.807 112.068 108.800 -0.898 0.000 2.516 480 G HA2 0.242 4.203 3.960 0.002 0.000 0.221 480 G HA3 0.242 4.203 3.960 0.002 0.000 0.221 480 G C 0.738 175.302 174.900 -0.560 0.000 1.107 480 G CA 0.740 45.625 45.100 -0.359 0.000 0.747 480 G HN 1.386 nan 8.290 nan 0.000 0.567 481 G N -0.811 106.939 108.800 -1.751 0.000 2.661 481 G HA2 -0.092 3.869 3.960 0.002 0.000 0.685 481 G HA3 -0.092 3.869 3.960 0.002 0.000 0.685 481 G C -1.022 173.238 174.900 -1.066 0.000 1.298 481 G CA -0.301 43.832 45.100 -1.613 0.000 0.855 481 G HN 0.205 nan 8.290 nan 0.000 0.560 482 D N -0.472 119.621 120.400 -0.511 0.000 2.302 482 D HA 0.530 5.171 4.640 0.002 0.000 0.248 482 D C 0.460 176.639 176.300 -0.203 0.000 1.094 482 D CA 0.489 54.363 54.000 -0.209 0.000 0.897 482 D CB 1.298 42.050 40.800 -0.081 0.000 1.200 482 D HN 0.624 nan 8.370 nan 0.000 0.429 483 C N 1.323 120.533 119.300 -0.151 0.000 2.822 483 C HA 0.454 4.916 4.460 0.002 0.000 0.341 483 C C -0.376 174.539 174.990 -0.126 0.000 1.301 483 C CA -0.815 58.182 59.018 -0.035 0.000 1.706 483 C CB 0.682 28.604 27.740 0.304 0.000 2.178 483 C HN 0.517 nan 8.230 nan 0.000 0.481 484 Y N 0.113 120.500 120.300 0.145 0.000 2.376 484 Y HA 0.473 5.024 4.550 0.002 0.000 0.325 484 Y C 0.830 176.851 175.900 0.202 0.000 1.199 484 Y CA -0.289 57.883 58.100 0.120 0.000 1.206 484 Y CB 0.766 39.289 38.460 0.105 0.000 1.229 484 Y HN 0.753 nan 8.280 nan 0.000 0.480 485 A N 3.447 126.444 122.820 0.296 0.000 3.052 485 A HA 0.254 4.575 4.320 0.002 0.000 0.266 485 A C -0.583 177.146 177.584 0.241 0.000 1.855 485 A CA -0.019 52.164 52.037 0.244 0.000 1.473 485 A CB -1.910 17.161 19.000 0.117 0.000 1.038 485 A HN 0.809 nan 8.150 nan 0.000 0.619 486 N N -2.453 116.444 118.700 0.329 0.000 2.710 486 N HA 0.350 5.091 4.740 0.002 0.000 0.257 486 N C -0.007 175.592 175.510 0.149 0.000 1.327 486 N CA -0.857 52.282 53.050 0.147 0.000 0.861 486 N CB 0.402 38.985 38.487 0.159 0.000 1.532 486 N HN 0.006 nan 8.380 nan 0.000 0.499 487 Y N -0.354 120.097 120.300 0.251 0.000 2.224 487 Y HA -0.123 4.428 4.550 0.002 0.000 0.289 487 Y C 1.493 177.484 175.900 0.151 0.000 1.146 487 Y CA 1.189 59.423 58.100 0.223 0.000 1.182 487 Y CB 0.039 38.667 38.460 0.280 0.000 0.983 487 Y HN 0.630 nan 8.280 nan 0.000 0.524 488 E N 0.286 120.638 120.200 0.253 0.000 2.077 488 E HA -0.133 4.218 4.350 0.002 0.000 0.193 488 E C 1.441 178.116 176.600 0.125 0.000 0.989 488 E CA 0.939 57.418 56.400 0.132 0.000 0.800 488 E CB -0.328 29.436 29.700 0.107 0.000 0.746 488 E HN 0.132 nan 8.360 nan 0.000 0.452 492 E N 0.643 120.891 120.200 0.079 0.000 2.097 492 E HA -0.186 4.165 4.350 0.002 0.000 0.196 492 E C 2.028 178.817 176.600 0.314 0.000 1.000 492 E CA 1.571 58.072 56.400 0.169 0.000 0.804 492 E CB -0.114 29.685 29.700 0.165 0.000 0.740 492 E HN 0.550 nan 8.360 nan 0.000 0.454 493 S N 0.592 116.492 115.700 0.334 0.000 2.368 493 S HA -0.130 4.341 4.470 0.002 0.000 0.225 493 S C 1.916 176.721 174.600 0.342 0.000 1.030 493 S CA 0.742 59.244 58.200 0.504 0.000 0.999 493 S CB -0.173 63.399 63.200 0.619 0.000 0.844 493 S HN 0.269 nan 8.310 nan 0.000 0.459 494 L N 1.105 122.447 121.223 0.199 0.000 2.046 494 L HA -0.087 4.254 4.340 0.002 0.000 0.208 494 L C 2.699 179.449 176.870 -0.200 0.000 1.077 494 L CA 1.462 56.294 54.840 -0.014 0.000 0.747 494 L CB -0.389 41.608 42.059 -0.104 0.000 0.896 494 L HN 0.367 nan 8.230 nan 0.000 0.432 495 R N -0.616 119.822 120.500 -0.104 0.000 2.127 495 R HA -0.141 4.200 4.340 0.002 0.000 0.238 495 R C 2.145 178.265 176.300 -0.300 0.000 1.134 495 R CA 1.158 57.168 56.100 -0.151 0.000 0.975 495 R CB -0.608 29.654 30.300 -0.064 0.000 0.865 495 R HN 0.483 nan 8.270 nan 0.000 0.447 496 G N 0.335 108.940 108.800 -0.324 0.000 2.404 496 G HA2 -0.187 3.774 3.960 0.002 0.000 0.215 496 G HA3 -0.187 3.774 3.960 0.002 0.000 0.215 496 G C 1.512 175.880 174.900 -0.887 0.000 1.174 496 G CA 0.725 45.444 45.100 -0.634 0.000 0.780 496 G HN 0.433 nan 8.290 nan 0.000 0.537 497 G N 0.980 108.931 108.800 -1.416 0.000 2.421 497 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 497 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 497 G C 1.821 176.112 174.900 -1.015 0.000 1.171 497 G CA 0.798 44.572 45.100 -2.211 0.000 0.775 497 G HN 0.409 nan 8.290 nan 0.000 0.543 498 L N 0.747 121.573 121.223 -0.661 0.000 2.046 498 L HA -0.095 4.247 4.340 0.002 0.000 0.208 498 L C 3.199 179.876 176.870 -0.321 0.000 1.077 498 L CA 1.299 55.907 54.840 -0.387 0.000 0.747 498 L CB -0.529 41.379 42.059 -0.252 0.000 0.896 498 L HN 0.175 nan 8.230 nan 0.000 0.432 499 S N 0.053 115.544 115.700 -0.348 0.000 2.368 499 S HA -0.182 4.290 4.470 0.002 0.000 0.225 499 S C 1.979 176.419 174.600 -0.267 0.000 1.030 499 S CA 1.320 59.355 58.200 -0.274 0.000 0.999 499 S CB -0.287 62.726 63.200 -0.312 0.000 0.844 499 S HN 0.338 nan 8.310 nan 0.000 0.459 500 I N 1.351 121.696 120.570 -0.376 0.000 2.394 500 I HA -0.131 4.040 4.170 0.002 0.000 0.251 500 I C 2.267 178.313 176.117 -0.118 0.000 1.136 500 I CA 1.110 62.226 61.300 -0.306 0.000 1.425 500 I CB -0.524 37.219 38.000 -0.429 0.000 1.079 500 I HN 0.387 nan 8.210 nan 0.000 0.425 501 G N 0.651 109.345 108.800 -0.176 0.000 2.408 501 G HA2 -0.186 3.775 3.960 0.002 0.000 0.217 501 G HA3 -0.186 3.775 3.960 0.002 0.000 0.217 501 G C 1.536 176.387 174.900 -0.083 0.000 1.150 501 G CA 0.298 45.332 45.100 -0.108 0.000 0.776 501 G HN 0.390 nan 8.290 nan 0.000 0.542 502 L N 1.037 122.200 121.223 -0.100 0.000 2.622 502 L HA 0.104 4.446 4.340 0.002 0.000 0.233 502 L C 1.753 178.642 176.870 0.032 0.000 1.156 502 L CA 0.298 55.101 54.840 -0.061 0.000 0.866 502 L CB 0.339 42.347 42.059 -0.084 0.000 0.980 502 L HN 0.093 nan 8.230 nan 0.000 0.448 503 S N -0.824 114.893 115.700 0.028 0.000 2.593 503 S HA 0.349 4.820 4.470 0.002 0.000 0.236 503 S C 1.269 175.858 174.600 -0.018 0.000 0.991 503 S CA 0.451 58.703 58.200 0.088 0.000 0.963 503 S CB 1.044 64.298 63.200 0.090 0.000 0.865 503 S HN 0.545 nan 8.310 nan 0.000 0.488 504 G N 1.196 109.957 108.800 -0.065 0.000 2.195 504 G HA2 -0.216 3.745 3.960 0.002 0.000 0.224 504 G HA3 -0.216 3.745 3.960 0.002 0.000 0.224 504 G C -0.173 174.581 174.900 -0.243 0.000 0.990 504 G CA -0.619 44.400 45.100 -0.136 0.000 0.639 504 G HN 0.398 nan 8.290 nan 0.000 0.514 505 F N 1.167 121.013 119.950 -0.173 0.000 2.408 505 F HA 0.608 5.136 4.527 0.002 0.000 0.344 505 F C 1.521 177.211 175.800 -0.182 0.000 1.112 505 F CA 0.158 58.057 58.000 -0.168 0.000 1.096 505 F CB 1.857 40.743 39.000 -0.189 0.000 1.129 505 F HN 0.009 nan 8.300 nan 0.000 0.486 506 G N 2.398 111.118 108.800 -0.133 0.000 2.838 506 G HA2 0.109 4.070 3.960 0.002 0.000 0.210 506 G HA3 0.109 4.070 3.960 0.002 0.000 0.210 506 G C -0.264 174.171 174.900 -0.775 0.000 1.153 506 G CA 0.254 45.065 45.100 -0.480 0.000 0.778 506 G HN 0.334 nan 8.290 nan 0.000 0.539 507 F N -1.452 118.589 119.950 0.153 0.000 2.540 507 F HA 0.648 5.176 4.527 0.002 0.000 0.317 507 F C -1.031 174.897 175.800 0.213 0.000 1.104 507 F CA -1.627 56.466 58.000 0.154 0.000 0.913 507 F CB 2.033 41.050 39.000 0.028 0.000 1.170 507 F HN 0.013 nan 8.300 nan 0.000 0.450 508 W N 3.081 124.448 121.300 0.113 0.000 3.042 508 W HA 0.643 5.305 4.660 0.002 0.000 0.337 508 W C -1.235 175.269 176.519 -0.024 0.000 1.086 508 W CA -0.936 56.401 57.345 -0.013 0.000 1.236 508 W CB 1.909 31.326 29.460 -0.072 0.000 1.381 508 W HN 0.577 nan 8.180 nan 0.000 0.472 509 S N 3.607 118.864 115.700 -0.738 0.000 2.648 509 S HA 0.923 5.394 4.470 0.002 0.000 0.305 509 S C -0.921 173.088 174.600 -0.985 0.000 1.094 509 S CA -0.574 57.196 58.200 -0.715 0.000 0.983 509 S CB 2.198 64.812 63.200 -0.976 0.000 1.101 509 S HN 0.792 nan 8.310 nan 0.000 0.514 510 H N -1.913 116.683 119.070 -0.790 0.000 2.967 510 H HA 0.657 5.214 4.556 0.002 0.000 0.318 510 H C -2.023 173.203 175.328 -0.171 0.000 1.375 510 H CA -1.153 54.506 56.048 -0.649 0.000 1.132 510 H CB 0.458 29.723 29.762 -0.830 0.000 1.848 510 H HN 0.456 nan 8.280 nan 0.000 0.524 511 D N 0.722 121.101 120.400 -0.035 0.000 2.277 511 D HA 0.275 4.917 4.640 0.002 0.000 0.250 511 D C 0.554 176.667 176.300 -0.310 0.000 1.032 511 D CA -0.395 53.582 54.000 -0.037 0.000 0.947 511 D CB 1.342 42.289 40.800 0.246 0.000 1.159 511 D HN 0.309 nan 8.370 nan 0.000 0.460 520 P HA 0.446 nan 4.420 nan 0.000 0.262 520 P C 0.956 178.119 177.300 -0.228 0.000 1.182 520 P CA 0.730 63.702 63.100 -0.215 0.000 0.761 520 P CB 1.081 32.527 31.700 -0.422 0.000 0.795 521 A N 3.429 126.162 122.820 -0.146 0.000 1.892 521 A HA -0.278 4.044 4.320 0.002 0.000 0.218 521 A C 1.948 179.505 177.584 -0.045 0.000 1.188 521 A CA 2.272 54.261 52.037 -0.080 0.000 0.631 521 A CB -1.617 17.344 19.000 -0.064 0.000 0.822 521 A HN 0.858 nan 8.150 nan 0.000 0.447 522 H N -1.453 117.655 119.070 0.064 0.000 2.387 522 H HA -0.026 4.531 4.556 0.002 0.000 0.299 522 H C 1.607 177.149 175.328 0.356 0.000 1.090 522 H CA 1.463 57.621 56.048 0.183 0.000 1.332 522 H CB -1.053 29.008 29.762 0.499 0.000 1.386 522 H HN 0.122 nan 8.280 nan 0.000 0.516 523 V N 0.641 120.562 119.914 0.013 0.000 2.295 523 V HA -0.301 3.820 4.120 0.002 0.000 0.246 523 V C 2.348 178.633 176.094 0.319 0.000 1.049 523 V CA 2.147 64.477 62.300 0.050 0.000 1.024 523 V CB -0.924 30.755 31.823 -0.240 0.000 0.648 523 V HN 0.521 nan 8.190 nan 0.000 0.447 524 Y N 1.103 121.473 120.300 0.116 0.000 2.224 524 Y HA -0.226 4.325 4.550 0.002 0.000 0.289 524 Y C 2.445 178.468 175.900 0.204 0.000 1.146 524 Y CA 1.828 60.015 58.100 0.145 0.000 1.182 524 Y CB -0.128 38.349 38.460 0.028 0.000 0.983 524 Y HN 0.180 nan 8.280 nan 0.000 0.524 525 K N -0.472 120.101 120.400 0.290 0.000 2.103 525 K HA -0.101 4.221 4.320 0.002 0.000 0.204 525 K C 2.130 178.912 176.600 0.303 0.000 1.052 525 K CA 0.896 57.316 56.287 0.223 0.000 0.945 525 K CB -0.046 32.483 32.500 0.050 0.000 0.722 525 K HN 0.145 nan 8.250 nan 0.000 0.443 526 R N 0.441 121.197 120.500 0.427 0.000 2.081 526 R HA -0.125 4.216 4.340 0.002 0.000 0.235 526 R C 1.904 178.357 176.300 0.256 0.000 1.131 526 R CA 0.947 57.261 56.100 0.356 0.000 0.960 526 R CB -0.653 29.913 30.300 0.444 0.000 0.856 526 R HN 0.435 nan 8.270 nan 0.000 0.436 527 W N 0.977 122.351 121.300 0.125 0.000 2.374 527 W HA -0.169 4.492 4.660 0.002 0.000 0.288 527 W C 1.969 178.475 176.519 -0.022 0.000 1.218 527 W CA 0.353 57.774 57.345 0.126 0.000 1.245 527 W CB -0.475 29.035 29.460 0.083 0.000 1.126 527 W HN 0.068 nan 8.180 nan 0.000 0.545 528 C N -0.076 119.275 119.300 0.085 0.000 2.429 528 C HA -0.120 4.342 4.460 0.002 0.000 0.277 528 C C 3.073 177.977 174.990 -0.144 0.000 1.262 528 C CA 1.597 60.575 59.018 -0.068 0.000 1.733 528 C CB -1.517 26.170 27.740 -0.089 0.000 2.010 528 C HN 0.352 nan 8.230 nan 0.000 0.483 529 A N 0.109 122.708 122.820 -0.368 0.000 1.865 529 A HA -0.232 4.089 4.320 0.002 0.000 0.217 529 A C 2.052 179.522 177.584 -0.190 0.000 1.191 529 A CA 1.914 53.395 52.037 -0.927 0.000 0.623 529 A CB -1.068 17.398 19.000 -0.891 0.000 0.826 529 A HN 0.636 nan 8.150 nan 0.000 0.444 530 F N 0.852 120.746 119.950 -0.094 0.000 2.095 530 F HA -0.141 4.387 4.527 0.002 0.000 0.298 530 F C 2.302 178.254 175.800 0.254 0.000 1.104 530 F CA 1.344 59.416 58.000 0.121 0.000 1.232 530 F CB -0.374 38.684 39.000 0.097 0.000 0.987 530 F HN 0.278 nan 8.300 nan 0.000 0.475 531 G N 1.132 109.923 108.800 -0.014 0.000 2.446 531 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 531 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 531 G C 1.433 176.287 174.900 -0.077 0.000 1.168 531 G CA 0.868 45.818 45.100 -0.250 0.000 0.771 531 G HN 0.313 nan 8.290 nan 0.000 0.551 532 L N 0.138 121.385 121.223 0.040 0.000 2.291 532 L HA 0.211 4.552 4.340 0.002 0.000 0.214 532 L C 1.884 178.883 176.870 0.215 0.000 1.120 532 L CA 0.758 55.686 54.840 0.147 0.000 0.799 532 L CB -0.769 41.427 42.059 0.228 0.000 0.925 532 L HN 0.212 nan 8.230 nan 0.000 0.446 533 L N -0.460 120.910 121.223 0.245 0.000 2.998 533 L HA 0.142 4.484 4.340 0.002 0.000 0.234 533 L C 0.151 177.272 176.870 0.418 0.000 1.350 533 L CA -0.052 54.991 54.840 0.338 0.000 1.202 533 L CB -0.217 42.055 42.059 0.355 0.000 1.583 533 L HN 0.047 nan 8.230 nan 0.000 0.456 534 S N -1.832 114.062 115.700 0.323 0.000 2.632 534 S HA 0.234 4.705 4.470 0.002 0.000 0.289 534 S C 0.949 175.724 174.600 0.292 0.000 1.115 534 S CA -0.283 58.117 58.200 0.333 0.000 0.889 534 S CB 2.029 65.430 63.200 0.335 0.000 1.116 534 S HN 0.385 nan 8.310 nan 0.000 0.486 535 S N 0.767 116.662 115.700 0.325 0.000 2.370 535 S HA -0.102 4.369 4.470 0.002 0.000 0.226 535 S C 0.136 174.678 174.600 -0.096 0.000 1.033 535 S CA 1.265 59.655 58.200 0.316 0.000 1.011 535 S CB -0.488 63.062 63.200 0.583 0.000 0.852 535 S HN 0.762 nan 8.310 nan 0.000 0.457 536 H N 0.296 119.375 119.070 0.015 0.000 2.667 536 H HA 0.714 5.271 4.556 0.002 0.000 0.353 536 H C -1.006 174.264 175.328 -0.098 0.000 1.072 536 H CA -0.473 55.524 56.048 -0.085 0.000 1.214 536 H CB 2.081 31.692 29.762 -0.251 0.000 1.600 536 H HN 0.220 nan 8.280 nan 0.000 0.527 537 S N 2.822 118.553 115.700 0.051 0.000 2.513 537 S HA 0.608 5.079 4.470 0.002 0.000 0.299 537 S C -0.596 174.035 174.600 0.052 0.000 1.087 537 S CA -1.106 57.073 58.200 -0.035 0.000 1.012 537 S CB 2.306 65.513 63.200 0.012 0.000 1.044 537 S HN 0.559 nan 8.310 nan 0.000 0.485 538 R N 2.145 122.635 120.500 -0.017 0.000 2.502 538 R HA 0.361 4.702 4.340 0.002 0.000 0.300 538 R C -1.630 174.689 176.300 0.032 0.000 0.984 538 R CA -0.675 55.467 56.100 0.069 0.000 0.882 538 R CB 0.928 31.268 30.300 0.067 0.000 1.180 538 R HN 0.561 nan 8.270 nan 0.000 0.444 539 L N 4.720 125.997 121.223 0.089 0.000 2.305 539 L HA 0.315 4.656 4.340 0.002 0.000 0.281 539 L C -0.601 176.331 176.870 0.104 0.000 1.085 539 L CA 0.025 54.932 54.840 0.112 0.000 0.813 539 L CB 1.011 43.169 42.059 0.167 0.000 1.157 539 L HN 0.690 nan 8.230 nan 0.000 0.436 540 H N 3.417 122.558 119.070 0.119 0.000 2.488 540 H HA 0.261 4.818 4.556 0.002 0.000 0.322 540 H C 0.412 175.833 175.328 0.154 0.000 1.078 540 H CA -0.028 56.082 56.048 0.103 0.000 1.260 540 H CB 1.518 31.308 29.762 0.046 0.000 1.425 540 H HN 0.840 nan 8.280 nan 0.000 0.471 541 G N 3.469 112.426 108.800 0.262 0.000 2.281 541 G HA2 0.007 3.969 3.960 0.002 0.000 0.236 541 G HA3 0.007 3.969 3.960 0.002 0.000 0.236 541 G C 0.050 175.101 174.900 0.252 0.000 1.053 541 G CA 0.645 45.851 45.100 0.178 0.000 0.874 541 G HN 0.644 nan 8.290 nan 0.000 0.450 553 D N -0.605 119.804 120.400 0.015 0.000 2.117 553 D HA -0.098 4.543 4.640 0.002 0.000 0.198 553 D C 1.502 177.829 176.300 0.046 0.000 0.982 553 D CA 1.495 55.512 54.000 0.028 0.000 0.828 553 D CB 0.158 40.975 40.800 0.029 0.000 0.967 553 D HN 0.490 nan 8.370 nan 0.000 0.464 554 E N -0.525 119.703 120.200 0.046 0.000 2.204 554 E HA -0.095 4.257 4.350 0.002 0.000 0.194 554 E C 1.731 178.382 176.600 0.084 0.000 0.989 554 E CA 0.724 57.163 56.400 0.065 0.000 0.824 554 E CB 0.115 29.847 29.700 0.053 0.000 0.756 554 E HN 0.060 nan 8.360 nan 0.000 0.477 555 S N -0.274 115.472 115.700 0.077 0.000 2.383 555 S HA -0.150 4.322 4.470 0.002 0.000 0.227 555 S C 1.960 176.676 174.600 0.195 0.000 1.026 555 S CA 0.980 59.277 58.200 0.161 0.000 0.981 555 S CB -0.210 63.080 63.200 0.149 0.000 0.818 555 S HN 0.483 nan 8.310 nan 0.000 0.472 556 C N 1.769 121.146 119.300 0.129 0.000 2.440 556 C HA -0.045 4.417 4.460 0.002 0.000 0.278 556 C C 2.366 177.436 174.990 0.133 0.000 1.295 556 C CA 0.255 59.343 59.018 0.117 0.000 1.738 556 C CB -1.195 26.584 27.740 0.064 0.000 1.987 556 C HN 0.535 nan 8.230 nan 0.000 0.492 557 D N 0.761 121.239 120.400 0.130 0.000 2.144 557 D HA -0.090 4.552 4.640 0.002 0.000 0.200 557 D C 2.192 178.614 176.300 0.203 0.000 0.978 557 D CA 0.991 55.075 54.000 0.140 0.000 0.833 557 D CB -0.400 40.469 40.800 0.114 0.000 0.961 557 D HN 0.285 nan 8.370 nan 0.000 0.470 558 V N 0.568 120.631 119.914 0.248 0.000 2.307 558 V HA -0.190 3.931 4.120 0.002 0.000 0.245 558 V C 2.652 179.021 176.094 0.460 0.000 1.045 558 V CA 0.987 63.520 62.300 0.389 0.000 1.024 558 V CB -0.434 31.622 31.823 0.388 0.000 0.651 558 V HN 0.053 nan 8.190 nan 0.000 0.449 559 V N -0.028 120.076 119.914 0.317 0.000 2.295 559 V HA -0.281 3.840 4.120 0.002 0.000 0.246 559 V C 2.575 178.815 176.094 0.243 0.000 1.049 559 V CA 2.472 64.934 62.300 0.270 0.000 1.024 559 V CB -0.765 31.181 31.823 0.204 0.000 0.648 559 V HN 0.486 nan 8.190 nan 0.000 0.447 560 R N -0.805 119.809 120.500 0.190 0.000 2.073 560 R HA -0.200 4.141 4.340 0.002 0.000 0.234 560 R C 2.311 178.670 176.300 0.099 0.000 1.134 560 R CA 2.115 58.290 56.100 0.124 0.000 0.952 560 R CB -0.440 29.916 30.300 0.093 0.000 0.850 560 R HN 0.475 nan 8.270 nan 0.000 0.433 561 F N 0.426 120.351 119.950 -0.042 0.000 2.069 561 F HA -0.219 4.309 4.527 0.002 0.000 0.298 561 F C 1.597 177.207 175.800 -0.317 0.000 1.113 561 F CA 1.802 59.657 58.000 -0.243 0.000 1.214 561 F CB -0.385 38.378 39.000 -0.395 0.000 0.978 561 F HN -0.021 nan 8.300 nan 0.000 0.474 562 F N -0.239 119.813 119.950 0.169 0.000 2.325 562 F HA -0.103 4.425 4.527 0.002 0.000 0.299 562 F C 2.431 178.237 175.800 0.010 0.000 1.090 562 F CA 1.393 59.431 58.000 0.063 0.000 1.392 562 F CB -1.114 38.014 39.000 0.214 0.000 1.053 562 F HN -0.133 nan 8.300 nan 0.000 0.521 563 T N -0.535 114.139 114.554 0.201 0.000 2.746 563 T HA -0.208 4.144 4.350 0.002 0.000 0.267 563 T C 1.909 176.660 174.700 0.084 0.000 1.039 563 T CA 1.375 63.577 62.100 0.170 0.000 1.142 563 T CB -0.284 68.682 68.868 0.163 0.000 0.866 563 T HN 0.304 nan 8.240 nan 0.000 0.444 564 Q N 0.099 119.879 119.800 -0.035 0.000 2.084 564 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 564 Q C 2.353 178.247 176.000 -0.177 0.000 0.978 564 Q CA 1.059 56.792 55.803 -0.115 0.000 0.844 564 Q CB -0.339 28.273 28.738 -0.211 0.000 0.898 564 Q HN 0.314 nan 8.270 nan 0.000 0.426 565 L N 1.371 122.401 121.223 -0.322 0.000 2.012 565 L HA -0.224 4.117 4.340 0.002 0.000 0.210 565 L C 2.228 179.055 176.870 -0.071 0.000 1.073 565 L CA 1.921 56.564 54.840 -0.328 0.000 0.748 565 L CB -0.408 41.351 42.059 -0.499 0.000 0.891 565 L HN 0.031 nan 8.230 nan 0.000 0.431 566 K N -1.209 119.217 120.400 0.043 0.000 2.032 566 K HA -0.211 4.110 4.320 0.002 0.000 0.209 566 K C 2.128 178.806 176.600 0.129 0.000 1.048 566 K CA 1.978 58.343 56.287 0.130 0.000 0.927 566 K CB -0.378 32.237 32.500 0.192 0.000 0.712 566 K HN 0.538 nan 8.250 nan 0.000 0.441 567 C N 1.005 120.380 119.300 0.125 0.000 2.429 567 C HA -0.022 4.439 4.460 0.002 0.000 0.277 567 C C 1.574 176.697 174.990 0.221 0.000 1.262 567 C CA 0.096 59.223 59.018 0.183 0.000 1.733 567 C CB -0.905 26.913 27.740 0.130 0.000 2.010 567 C HN 0.434 nan 8.230 nan 0.000 0.483 572 Y N 0.763 120.932 120.300 -0.218 0.000 2.176 572 Y HA -0.028 4.523 4.550 0.002 0.000 0.291 572 Y C 1.879 177.690 175.900 -0.149 0.000 1.122 572 Y CA 1.038 59.062 58.100 -0.125 0.000 1.128 572 Y CB -0.440 37.988 38.460 -0.054 0.000 1.005 572 Y HN -0.203 nan 8.280 nan 0.000 0.509 573 L N -0.035 121.048 121.223 -0.233 0.000 2.013 573 L HA -0.276 4.065 4.340 0.002 0.000 0.212 573 L C 2.287 178.921 176.870 -0.393 0.000 1.073 573 L CA 1.876 56.534 54.840 -0.303 0.000 0.753 573 L CB -1.785 40.229 42.059 -0.075 0.000 0.890 573 L HN 0.414 nan 8.230 nan 0.000 0.432 574 Y N 0.002 119.896 120.300 -0.678 0.000 2.293 574 Y HA -0.244 4.307 4.550 0.002 0.000 0.291 574 Y C 2.769 178.407 175.900 -0.437 0.000 1.137 574 Y CA 1.556 59.220 58.100 -0.726 0.000 1.202 574 Y CB -0.115 37.661 38.460 -1.140 0.000 0.990 574 Y HN 0.124 nan 8.280 nan 0.000 0.537 575 R N 0.745 121.031 120.500 -0.357 0.000 2.092 575 R HA -0.102 4.239 4.340 0.002 0.000 0.231 575 R C 1.798 177.932 176.300 -0.278 0.000 1.119 575 R CA 1.780 57.724 56.100 -0.259 0.000 0.970 575 R CB -0.387 29.809 30.300 -0.172 0.000 0.864 575 R HN 0.181 nan 8.270 nan 0.000 0.440 576 E N 0.152 120.134 120.200 -0.362 0.000 2.152 576 E HA -0.042 4.310 4.350 0.002 0.000 0.192 576 E C 1.794 178.285 176.600 -0.181 0.000 0.983 576 E CA 1.207 57.429 56.400 -0.296 0.000 0.818 576 E CB -0.277 29.179 29.700 -0.407 0.000 0.758 576 E HN 0.456 nan 8.360 nan 0.000 0.467 577 A N 1.287 124.005 122.820 -0.170 0.000 2.015 577 A HA 0.020 4.341 4.320 0.002 0.000 0.219 577 A C 2.339 179.924 177.584 0.002 0.000 1.163 577 A CA 1.520 53.603 52.037 0.077 0.000 0.646 577 A CB -0.300 18.738 19.000 0.063 0.000 0.806 577 A HN 0.236 nan 8.150 nan 0.000 0.448 578 A N -0.563 122.131 122.820 -0.210 0.000 2.014 578 A HA -0.051 4.270 4.320 0.002 0.000 0.218 578 A C 2.176 179.716 177.584 -0.074 0.000 1.163 578 A CA 1.279 53.231 52.037 -0.142 0.000 0.652 578 A CB -0.400 18.505 19.000 -0.159 0.000 0.808 578 A HN 0.502 nan 8.150 nan 0.000 0.449 579 R N -0.487 119.955 120.500 -0.097 0.000 2.092 579 R HA -0.060 4.281 4.340 0.002 0.000 0.231 579 R C 2.288 178.533 176.300 -0.092 0.000 1.119 579 R CA 1.140 57.184 56.100 -0.092 0.000 0.970 579 R CB -0.268 29.965 30.300 -0.112 0.000 0.864 579 R HN 0.480 nan 8.270 nan 0.000 0.440 580 A N 1.002 123.758 122.820 -0.107 0.000 1.930 580 A HA -0.189 4.133 4.320 0.002 0.000 0.217 580 A C 1.889 179.429 177.584 -0.074 0.000 1.175 580 A CA 1.512 53.448 52.037 -0.168 0.000 0.627 580 A CB -0.760 17.980 19.000 -0.433 0.000 0.815 580 A HN 0.512 nan 8.150 nan 0.000 0.443 581 N N 0.025 118.740 118.700 0.025 0.000 2.331 581 N HA -0.056 4.685 4.740 0.002 0.000 0.180 581 N C 1.688 177.187 175.510 -0.018 0.000 1.019 581 N CA 1.200 54.272 53.050 0.038 0.000 0.881 581 N CB -0.096 38.441 38.487 0.083 0.000 0.972 581 N HN 0.383 nan 8.380 nan 0.000 0.435 582 A N 0.481 123.280 122.820 -0.034 0.000 1.956 582 A HA 0.187 4.508 4.320 0.002 0.000 0.212 582 A C 1.876 179.426 177.584 -0.057 0.000 1.188 582 A CA 0.295 52.307 52.037 -0.042 0.000 0.675 582 A CB 0.225 19.202 19.000 -0.038 0.000 0.845 582 A HN 0.129 nan 8.150 nan 0.000 0.455 583 R N -1.276 119.183 120.500 -0.068 0.000 2.476 583 R HA 0.223 4.564 4.340 0.002 0.000 0.276 583 R C 1.069 177.316 176.300 -0.088 0.000 0.941 583 R CA 0.610 56.666 56.100 -0.073 0.000 1.088 583 R CB 0.033 30.291 30.300 -0.070 0.000 1.216 583 R HN 0.754 nan 8.270 nan 0.000 0.533 584 G N 1.496 110.234 108.800 -0.104 0.000 2.166 584 G HA2 -0.284 3.677 3.960 0.002 0.000 0.260 584 G HA3 -0.284 3.677 3.960 0.002 0.000 0.260 584 G C 0.115 174.933 174.900 -0.137 0.000 0.986 584 G CA 0.908 45.931 45.100 -0.129 0.000 0.683 584 G HN 0.251 nan 8.290 nan 0.000 0.527 585 T N 3.896 118.371 114.554 -0.131 0.000 2.743 585 T HA 0.449 4.800 4.350 0.002 0.000 0.290 585 T C -1.065 173.526 174.700 -0.182 0.000 0.908 585 T CA -0.186 61.834 62.100 -0.133 0.000 1.092 585 T CB 1.790 70.591 68.868 -0.112 0.000 0.882 585 T HN 0.379 nan 8.240 nan 0.000 0.531 595 F N 0.449 120.404 119.950 0.008 0.000 2.593 595 F HA 0.411 4.940 4.527 0.002 0.000 0.336 595 F C -2.015 173.784 175.800 -0.003 0.000 1.491 595 F CA -1.561 56.456 58.000 0.028 0.000 1.114 595 F CB 1.423 40.470 39.000 0.079 0.000 1.468 595 F HN -0.097 nan 8.300 nan 0.000 0.579 596 P HA -0.179 nan 4.420 nan 0.000 0.217 596 P C 0.934 178.263 177.300 0.048 0.000 1.148 596 P CA 1.568 64.677 63.100 0.016 0.000 0.834 596 P CB 0.306 31.994 31.700 -0.020 0.000 0.783 597 D N -1.642 118.806 120.400 0.081 0.000 2.340 597 D HA -0.028 4.613 4.640 0.002 0.000 0.220 597 D C 0.212 176.568 176.300 0.094 0.000 1.039 597 D CA 0.569 54.616 54.000 0.079 0.000 0.866 597 D CB -0.163 40.684 40.800 0.078 0.000 0.913 597 D HN 0.185 nan 8.370 nan 0.000 0.523 598 D N 0.863 121.337 120.400 0.123 0.000 2.380 598 D HA 0.105 4.746 4.640 0.002 0.000 0.230 598 D C -1.665 174.654 176.300 0.032 0.000 1.154 598 D CA -2.226 51.835 54.000 0.102 0.000 0.859 598 D CB 1.885 42.779 40.800 0.155 0.000 1.045 598 D HN -0.135 nan 8.370 nan 0.000 0.495 599 P HA -0.116 nan 4.420 nan 0.000 0.218 599 P C 0.829 178.105 177.300 -0.041 0.000 1.146 599 P CA 0.910 64.013 63.100 0.005 0.000 0.813 599 P CB 0.266 31.979 31.700 0.021 0.000 0.778 600 A N -1.722 121.009 122.820 -0.148 0.000 2.168 600 A HA -0.088 4.233 4.320 0.002 0.000 0.215 600 A C 1.867 179.198 177.584 -0.421 0.000 1.152 600 A CA 0.933 52.751 52.037 -0.364 0.000 0.716 600 A CB -1.357 17.149 19.000 -0.823 0.000 0.794 600 A HN 0.251 nan 8.150 nan 0.000 0.465 601 C N -0.230 118.932 119.300 -0.229 0.000 2.791 601 C HA 0.102 4.563 4.460 0.002 0.000 0.270 601 C C 1.634 176.603 174.990 -0.036 0.000 1.257 601 C CA -0.221 58.724 59.018 -0.121 0.000 1.699 601 C CB -0.786 26.948 27.740 -0.009 0.000 1.904 601 C HN 0.558 nan 8.230 nan 0.000 0.603 602 D N 1.155 121.535 120.400 -0.033 0.000 2.123 602 D HA -0.142 4.500 4.640 0.002 0.000 0.196 602 D C 1.014 177.190 176.300 -0.205 0.000 0.992 602 D CA 1.746 55.678 54.000 -0.114 0.000 0.833 602 D CB -0.177 40.486 40.800 -0.227 0.000 0.954 602 D HN 0.580 nan 8.370 nan 0.000 0.455 603 Y N -0.438 119.902 120.300 0.066 0.000 2.507 603 Y HA 0.210 4.762 4.550 0.002 0.000 0.254 603 Y C 0.183 176.124 175.900 0.069 0.000 1.171 603 Y CA -0.726 57.411 58.100 0.062 0.000 1.238 603 Y CB 0.288 38.760 38.460 0.021 0.000 1.148 603 Y HN -0.186 nan 8.280 nan 0.000 0.525 604 L N 2.743 124.065 121.223 0.167 0.000 2.562 604 L HA 0.012 4.353 4.340 0.002 0.000 0.271 604 L C 0.730 177.661 176.870 0.103 0.000 1.167 604 L CA 0.341 55.258 54.840 0.128 0.000 0.917 604 L CB 0.072 42.155 42.059 0.040 0.000 1.187 604 L HN 0.346 nan 8.230 nan 0.000 0.482 605 D N 1.232 121.690 120.400 0.098 0.000 2.525 605 D HA 0.026 4.667 4.640 0.002 0.000 0.231 605 D C 0.928 177.247 176.300 0.031 0.000 1.216 605 D CA -0.027 54.003 54.000 0.050 0.000 0.813 605 D CB 0.242 41.057 40.800 0.026 0.000 1.108 605 D HN 0.440 nan 8.370 nan 0.000 0.524 606 R N 0.520 121.060 120.500 0.067 0.000 2.468 606 R HA 0.239 4.580 4.340 0.002 0.000 0.280 606 R C 0.219 176.643 176.300 0.206 0.000 0.963 606 R CA 0.011 56.163 56.100 0.086 0.000 1.083 606 R CB 0.558 30.867 30.300 0.014 0.000 1.200 606 R HN 0.392 nan 8.270 nan 0.000 0.541 607 Q N -0.251 119.655 119.800 0.177 0.000 2.590 607 Q HA 0.458 4.800 4.340 0.002 0.000 0.295 607 Q C -1.355 174.792 176.000 0.245 0.000 0.973 607 Q CA -1.175 54.709 55.803 0.135 0.000 0.768 607 Q CB 1.593 30.332 28.738 0.003 0.000 1.479 607 Q HN 0.046 nan 8.270 nan 0.000 0.419 611 G N 3.009 111.905 108.800 0.160 0.000 2.728 611 G HA2 -0.186 3.775 3.960 0.002 0.000 0.294 611 G HA3 -0.186 3.775 3.960 0.002 0.000 0.294 611 G C 0.159 175.141 174.900 0.138 0.000 1.342 611 G CA -0.052 45.081 45.100 0.056 0.000 0.866 611 G HN 0.532 nan 8.290 nan 0.000 0.534 612 D N 0.405 120.871 120.400 0.109 0.000 2.178 612 D HA -0.070 4.572 4.640 0.002 0.000 0.202 612 D C 1.938 178.320 176.300 0.136 0.000 0.974 612 D CA 1.542 55.594 54.000 0.087 0.000 0.841 612 D CB -0.001 40.826 40.800 0.045 0.000 0.953 612 D HN 0.411 nan 8.370 nan 0.000 0.478 613 N N -0.047 118.786 118.700 0.223 0.000 2.220 613 N HA 0.049 4.790 4.740 0.002 0.000 0.195 613 N C 0.425 175.980 175.510 0.074 0.000 1.123 613 N CA 0.082 53.182 53.050 0.083 0.000 0.874 613 N CB 1.833 40.288 38.487 -0.053 0.000 0.995 613 N HN 0.029 nan 8.380 nan 0.000 0.498 617 A N 5.784 128.361 122.820 -0.404 0.000 2.483 617 A HA 0.901 5.222 4.320 0.002 0.000 0.308 617 A C -2.935 174.530 177.584 -0.199 0.000 1.291 617 A CA -1.612 50.266 52.037 -0.264 0.000 0.774 617 A CB 1.126 19.914 19.000 -0.354 0.000 1.134 617 A HN 0.531 nan 8.150 nan 0.000 0.471 618 P HA 0.201 nan 4.420 nan 0.000 0.269 618 P C 0.103 177.130 177.300 -0.455 0.000 1.215 618 P CA -0.051 62.843 63.100 -0.343 0.000 0.780 618 P CB 1.038 32.379 31.700 -0.598 0.000 0.898 619 V N 2.516 122.181 119.914 -0.416 0.000 2.439 619 V HA 0.414 4.536 4.120 0.002 0.000 0.282 619 V C -0.539 175.256 176.094 -0.497 0.000 1.039 619 V CA -0.132 61.998 62.300 -0.282 0.000 0.913 619 V CB 0.157 31.925 31.823 -0.093 0.000 0.983 619 V HN 0.341 nan 8.190 nan 0.000 0.460 620 F N 3.968 123.790 119.950 -0.214 0.000 2.750 620 F HA 0.406 4.934 4.527 0.002 0.000 0.297 620 F C 1.010 176.179 175.800 -1.052 0.000 1.138 620 F CA 0.119 57.821 58.000 -0.496 0.000 1.346 620 F CB 0.364 39.228 39.000 -0.227 0.000 0.965 620 F HN 0.796 nan 8.300 nan 0.000 0.514 621 T N -4.635 109.509 114.554 -0.683 0.000 2.896 621 T HA 0.289 4.640 4.350 0.002 0.000 0.297 621 T C 0.681 175.226 174.700 -0.257 0.000 1.108 621 T CA -0.689 61.107 62.100 -0.507 0.000 1.004 621 T CB 2.430 71.192 68.868 -0.176 0.000 1.159 621 T HN 0.185 nan 8.240 nan 0.000 0.499 622 E N 0.979 121.124 120.200 -0.093 0.000 2.028 622 E HA -0.052 4.299 4.350 0.002 0.000 0.190 622 E C 2.318 178.876 176.600 -0.070 0.000 0.984 622 E CA 1.157 57.506 56.400 -0.086 0.000 0.800 622 E CB -0.509 28.895 29.700 -0.494 0.000 0.758 622 E HN 0.799 nan 8.360 nan 0.000 0.448 623 A N 0.192 122.964 122.820 -0.081 0.000 1.986 623 A HA -0.094 4.228 4.320 0.002 0.000 0.220 623 A C 1.990 179.506 177.584 -0.113 0.000 1.171 623 A CA 2.030 54.022 52.037 -0.076 0.000 0.640 623 A CB -0.833 18.140 19.000 -0.045 0.000 0.811 623 A HN 0.651 nan 8.150 nan 0.000 0.451 624 G N -1.653 107.087 108.800 -0.100 0.000 2.168 624 G HA2 -0.148 3.814 3.960 0.002 0.000 0.197 624 G HA3 -0.148 3.814 3.960 0.002 0.000 0.197 624 G C -0.351 174.562 174.900 0.021 0.000 0.997 624 G CA 0.124 45.181 45.100 -0.072 0.000 0.658 624 G HN 0.511 nan 8.290 nan 0.000 0.513 625 D N 0.130 120.537 120.400 0.010 0.000 2.414 625 D HA 0.446 5.087 4.640 0.002 0.000 0.242 625 D C -0.036 176.323 176.300 0.099 0.000 1.129 625 D CA 0.781 54.815 54.000 0.057 0.000 0.885 625 D CB 2.428 43.242 40.800 0.025 0.000 1.198 625 D HN 0.487 nan 8.370 nan 0.000 0.437 626 V N 1.771 121.792 119.914 0.178 0.000 2.924 626 V HA 0.187 4.308 4.120 0.002 0.000 0.300 626 V C -1.721 174.571 176.094 0.330 0.000 1.227 626 V CA -0.582 61.865 62.300 0.244 0.000 0.954 626 V CB 2.206 34.174 31.823 0.242 0.000 1.055 626 V HN 0.471 nan 8.190 nan 0.000 0.429 627 Q N 5.456 125.460 119.800 0.339 0.000 2.337 627 Q HA 0.779 5.120 4.340 0.002 0.000 0.266 627 Q C -1.460 174.889 176.000 0.582 0.000 1.023 627 Q CA -0.488 55.531 55.803 0.361 0.000 0.829 627 Q CB 2.628 31.514 28.738 0.246 0.000 1.306 627 Q HN 0.744 nan 8.270 nan 0.000 0.449 628 F N -1.016 119.128 119.950 0.323 0.000 2.668 628 F HA 0.553 5.081 4.527 0.002 0.000 0.309 628 F C -1.753 173.767 175.800 -0.467 0.000 1.117 628 F CA -1.437 56.525 58.000 -0.063 0.000 0.951 628 F CB 0.853 39.779 39.000 -0.124 0.000 1.323 628 F HN 0.461 nan 8.300 nan 0.000 0.451 629 Y N 2.253 121.951 120.300 -1.002 0.000 2.387 629 Y HA 0.776 5.327 4.550 0.002 0.000 0.330 629 Y C -1.759 173.765 175.900 -0.627 0.000 1.133 629 Y CA -1.360 56.024 58.100 -1.193 0.000 1.152 629 Y CB 1.571 39.093 38.460 -1.562 0.000 1.215 629 Y HN 0.771 nan 8.280 nan 0.000 0.466 630 L N 8.530 128.897 121.223 -1.426 0.000 2.376 630 L HA 0.594 4.936 4.340 0.002 0.000 0.275 630 L C -2.486 173.552 176.870 -1.387 0.000 0.987 630 L CA -2.530 51.562 54.840 -1.248 0.000 0.828 630 L CB 1.839 43.356 42.059 -0.905 0.000 1.249 630 L HN 0.565 nan 8.230 nan 0.000 0.409 631 P HA 0.095 nan 4.420 nan 0.000 0.275 631 P C -0.793 176.465 177.300 -0.070 0.000 1.266 631 P CA -0.562 62.239 63.100 -0.498 0.000 0.793 631 P CB 0.451 31.627 31.700 -0.875 0.000 1.074 632 E N 0.322 120.537 120.200 0.025 0.000 2.608 632 E HA 0.242 4.593 4.350 0.002 0.000 0.259 632 E C 0.155 176.832 176.600 0.129 0.000 0.951 632 E CA 0.771 57.225 56.400 0.089 0.000 0.945 632 E CB -0.497 29.261 29.700 0.096 0.000 0.916 632 E HN 0.639 nan 8.360 nan 0.000 0.477 633 G N 3.316 112.171 108.800 0.090 0.000 2.347 633 G HA2 -0.090 3.871 3.960 0.002 0.000 0.477 633 G HA3 -0.090 3.871 3.960 0.002 0.000 0.477 633 G C -1.267 173.647 174.900 0.023 0.000 1.349 633 G CA -0.680 44.406 45.100 -0.024 0.000 1.000 633 G HN 0.574 nan 8.290 nan 0.000 0.605 634 R N 0.078 120.526 120.500 -0.086 0.000 2.247 634 R HA 0.504 4.845 4.340 0.002 0.000 0.329 634 R C -0.756 175.528 176.300 -0.027 0.000 1.014 634 R CA -0.715 55.398 56.100 0.021 0.000 0.907 634 R CB 0.348 30.660 30.300 0.020 0.000 1.146 634 R HN 0.448 nan 8.270 nan 0.000 0.499 635 W N 2.122 123.421 121.300 -0.001 0.000 2.303 635 W HA 0.338 4.999 4.660 0.002 0.000 0.334 635 W C 0.119 176.765 176.519 0.210 0.000 1.197 635 W CA -0.136 57.247 57.345 0.064 0.000 1.262 635 W CB 1.558 31.019 29.460 0.002 0.000 1.153 635 W HN 0.296 nan 8.180 nan 0.000 0.596 636 T N 1.655 116.484 114.554 0.458 0.000 2.861 636 T HA 0.097 4.448 4.350 0.002 0.000 0.287 636 T C -0.758 174.040 174.700 0.163 0.000 1.003 636 T CA -0.635 61.698 62.100 0.389 0.000 0.977 636 T CB 0.984 70.129 68.868 0.461 0.000 0.996 636 T HN 0.277 nan 8.240 nan 0.000 0.448 637 H N 3.582 122.555 119.070 -0.160 0.000 2.803 637 H HA 0.176 4.733 4.556 0.002 0.000 0.330 637 H C 1.136 176.255 175.328 -0.350 0.000 1.057 637 H CA -0.125 55.499 56.048 -0.706 0.000 1.458 637 H CB 0.674 29.985 29.762 -0.753 0.000 1.470 637 H HN 0.617 nan 8.280 nan 0.000 0.560 638 L N 4.149 125.006 121.223 -0.611 0.000 2.034 638 L HA -0.266 4.076 4.340 0.002 0.000 0.217 638 L C 1.537 178.527 176.870 0.200 0.000 1.077 638 L CA 2.478 57.232 54.840 -0.143 0.000 0.769 638 L CB -0.200 41.810 42.059 -0.081 0.000 0.890 638 L HN 0.816 nan 8.230 nan 0.000 0.435 639 W N -4.278 117.104 121.300 0.136 0.000 2.741 639 W HA 0.218 4.879 4.660 0.002 0.000 0.317 639 W C 1.782 178.340 176.519 0.064 0.000 1.029 639 W CA -0.409 56.977 57.345 0.070 0.000 1.511 639 W CB -0.493 28.976 29.460 0.016 0.000 1.025 639 W HN -0.054 nan 8.180 nan 0.000 0.554 640 H N 0.926 119.910 119.070 -0.143 0.000 2.525 640 H HA 0.106 4.664 4.556 0.002 0.000 0.275 640 H C 0.824 176.130 175.328 -0.037 0.000 0.984 640 H CA 1.040 56.948 56.048 -0.234 0.000 1.264 640 H CB -0.237 29.131 29.762 -0.656 0.000 1.432 640 H HN 0.146 nan 8.280 nan 0.000 0.549 641 N N 1.614 120.405 118.700 0.151 0.000 2.863 641 N HA -0.152 4.589 4.740 0.002 0.000 0.245 641 N C -0.415 175.191 175.510 0.159 0.000 1.001 641 N CA 1.218 54.368 53.050 0.166 0.000 0.901 641 N CB -1.067 37.504 38.487 0.139 0.000 1.124 641 N HN 0.655 nan 8.380 nan 0.000 0.582 642 D N 0.632 121.126 120.400 0.157 0.000 2.344 642 D HA 0.223 4.864 4.640 0.002 0.000 0.244 642 D C 0.045 176.500 176.300 0.259 0.000 1.134 642 D CA 0.303 54.401 54.000 0.162 0.000 0.930 642 D CB 1.149 42.026 40.800 0.129 0.000 1.175 642 D HN 0.180 nan 8.370 nan 0.000 0.437 643 E N -0.311 120.015 120.200 0.210 0.000 2.244 643 E HA 0.578 4.930 4.350 0.002 0.000 0.266 643 E C -0.984 175.703 176.600 0.144 0.000 0.914 643 E CA -0.990 55.545 56.400 0.225 0.000 0.794 643 E CB 1.908 31.705 29.700 0.161 0.000 1.210 643 E HN 0.173 nan 8.360 nan 0.000 0.414 644 L N 1.831 123.110 121.223 0.092 0.000 2.455 644 L HA 0.336 4.677 4.340 0.002 0.000 0.264 644 L C -1.305 175.569 176.870 0.007 0.000 0.968 644 L CA -0.654 54.126 54.840 -0.101 0.000 0.827 644 L CB 2.018 43.750 42.059 -0.545 0.000 1.317 644 L HN 0.451 nan 8.230 nan 0.000 0.407 645 D N 1.621 122.052 120.400 0.053 0.000 2.255 645 D HA 0.546 5.188 4.640 0.002 0.000 0.249 645 D C 0.298 176.671 176.300 0.122 0.000 1.078 645 D CA 0.034 54.095 54.000 0.102 0.000 0.896 645 D CB 1.900 42.749 40.800 0.082 0.000 1.194 645 D HN 0.675 nan 8.370 nan 0.000 0.429 646 G N -0.625 108.239 108.800 0.107 0.000 2.510 646 G HA2 0.359 4.320 3.960 0.002 0.000 0.280 646 G HA3 0.359 4.320 3.960 0.002 0.000 0.280 646 G C 0.092 174.940 174.900 -0.086 0.000 1.386 646 G CA -0.364 44.725 45.100 -0.019 0.000 1.047 646 G HN 0.477 nan 8.290 nan 0.000 0.527 647 S N -1.841 113.731 115.700 -0.214 0.000 3.482 647 S HA -0.166 4.305 4.470 0.002 0.000 0.294 647 S C 0.348 174.958 174.600 0.018 0.000 1.244 647 S CA 1.611 59.783 58.200 -0.046 0.000 0.911 647 S CB -1.466 61.760 63.200 0.044 0.000 1.070 647 S HN 1.195 nan 8.310 nan 0.000 0.614 648 R N -1.749 118.613 120.500 -0.230 0.000 2.733 648 R HA 0.578 4.920 4.340 0.002 0.000 0.272 648 R C -1.443 174.684 176.300 -0.289 0.000 1.029 648 R CA -1.095 54.957 56.100 -0.079 0.000 0.888 648 R CB 0.329 30.539 30.300 -0.149 0.000 1.251 648 R HN 0.107 nan 8.270 nan 0.000 0.464 649 W N 0.754 121.911 121.300 -0.238 0.000 2.283 649 W HA 0.444 5.105 4.660 0.002 0.000 0.341 649 W C 0.436 176.501 176.519 -0.756 0.000 1.206 649 W CA 0.486 57.636 57.345 -0.324 0.000 1.294 649 W CB 0.778 30.142 29.460 -0.160 0.000 1.154 649 W HN 0.314 nan 8.180 nan 0.000 0.613 650 H N 1.537 120.409 119.070 -0.330 0.000 2.928 650 H HA 0.350 4.908 4.556 0.002 0.000 0.371 650 H C -0.957 174.106 175.328 -0.443 0.000 1.186 650 H CA -1.027 54.700 56.048 -0.536 0.000 1.134 650 H CB 2.452 31.604 29.762 -1.017 0.000 1.824 650 H HN 0.044 nan 8.280 nan 0.000 0.554 651 K N 2.329 122.667 120.400 -0.103 0.000 2.507 651 K HA 0.326 4.647 4.320 0.002 0.000 0.251 651 K C -1.190 175.466 176.600 0.095 0.000 0.943 651 K CA -0.329 55.968 56.287 0.017 0.000 0.794 651 K CB 2.076 34.580 32.500 0.007 0.000 1.188 651 K HN 0.811 nan 8.250 nan 0.000 0.428 652 Q N 1.611 121.540 119.800 0.214 0.000 2.683 652 Q HA 0.387 4.728 4.340 0.002 0.000 0.302 652 Q C -1.280 174.822 176.000 0.171 0.000 1.042 652 Q CA -0.999 54.925 55.803 0.200 0.000 0.773 652 Q CB 2.688 31.646 28.738 0.366 0.000 1.508 652 Q HN 0.532 nan 8.270 nan 0.000 0.459 653 Q N 0.640 120.455 119.800 0.025 0.000 2.304 653 Q HA 0.351 4.693 4.340 0.002 0.000 0.270 653 Q C -1.728 174.183 176.000 -0.150 0.000 1.035 653 Q CA -0.324 55.481 55.803 0.003 0.000 0.781 653 Q CB 1.445 30.158 28.738 -0.042 0.000 1.261 653 Q HN 0.587 nan 8.270 nan 0.000 0.444 654 H N 1.613 120.669 119.070 -0.024 0.000 2.637 654 H HA 0.400 4.957 4.556 0.002 0.000 0.363 654 H C -0.054 175.209 175.328 -0.108 0.000 1.131 654 H CA -0.563 55.469 56.048 -0.026 0.000 1.183 654 H CB 2.101 31.892 29.762 0.049 0.000 1.637 654 H HN 0.865 nan 8.280 nan 0.000 0.531 655 G N 0.514 109.320 108.800 0.009 0.000 2.653 655 G HA2 0.098 4.060 3.960 0.002 0.000 0.265 655 G HA3 0.098 4.060 3.960 0.002 0.000 0.265 655 G C 0.420 175.294 174.900 -0.044 0.000 1.237 655 G CA -0.446 44.596 45.100 -0.097 0.000 0.946 655 G HN 0.575 nan 8.290 nan 0.000 0.522 656 F N -1.099 118.961 119.950 0.183 0.000 2.494 656 F HA 0.035 4.563 4.527 0.002 0.000 0.298 656 F C 1.915 177.878 175.800 0.271 0.000 1.106 656 F CA 0.176 58.312 58.000 0.227 0.000 1.452 656 F CB 0.245 39.373 39.000 0.215 0.000 1.085 656 F HN 0.014 nan 8.300 nan 0.000 0.569 657 L N -0.881 120.508 121.223 0.277 0.000 2.791 657 L HA 0.247 4.589 4.340 0.002 0.000 0.239 657 L C 0.422 177.345 176.870 0.089 0.000 1.203 657 L CA 0.428 55.254 54.840 -0.023 0.000 1.002 657 L CB -1.148 40.663 42.059 -0.414 0.000 1.295 657 L HN -0.011 nan 8.230 nan 0.000 0.504 658 S N 0.391 116.376 115.700 0.475 0.000 2.625 658 S HA 0.884 5.355 4.470 0.002 0.000 0.271 658 S C -1.119 173.746 174.600 0.441 0.000 1.161 658 S CA -0.497 58.099 58.200 0.660 0.000 0.820 658 S CB 1.871 65.478 63.200 0.679 0.000 1.137 658 S HN 0.186 nan 8.310 nan 0.000 0.470 659 L N -1.315 120.009 121.223 0.169 0.000 3.020 659 L HA 0.677 5.018 4.340 0.002 0.000 0.273 659 L C -3.224 173.347 176.870 -0.499 0.000 1.018 659 L CA -2.098 52.511 54.840 -0.385 0.000 0.950 659 L CB 1.373 43.384 42.059 -0.080 0.000 1.510 659 L HN 0.362 nan 8.230 nan 0.000 0.404 660 P HA 0.264 nan 4.420 nan 0.000 0.270 660 P C -0.954 176.067 177.300 -0.465 0.000 1.242 660 P CA 0.056 62.880 63.100 -0.460 0.000 0.768 660 P CB 0.942 32.059 31.700 -0.972 0.000 0.820 661 V N 5.857 125.334 119.914 -0.728 0.000 2.443 661 V HA 0.267 4.388 4.120 0.002 0.000 0.272 661 V C -0.828 174.685 176.094 -0.969 0.000 1.002 661 V CA -0.540 61.334 62.300 -0.710 0.000 0.840 661 V CB -0.051 31.412 31.823 -0.600 0.000 1.042 661 V HN 0.384 nan 8.190 nan 0.000 0.446 662 Y N 2.039 122.089 120.300 -0.416 0.000 2.360 662 Y HA 0.645 5.196 4.550 0.002 0.000 0.337 662 Y C 0.282 176.219 175.900 0.063 0.000 1.039 662 Y CA -0.830 57.169 58.100 -0.168 0.000 1.109 662 Y CB 2.041 40.451 38.460 -0.083 0.000 1.201 662 Y HN 0.326 nan 8.280 nan 0.000 0.458 663 V N 4.395 124.339 119.914 0.049 0.000 2.481 663 V HA 0.379 4.500 4.120 0.002 0.000 0.286 663 V C 0.287 176.236 176.094 -0.240 0.000 1.042 663 V CA -1.177 60.974 62.300 -0.249 0.000 0.928 663 V CB 1.280 32.489 31.823 -1.023 0.000 0.986 663 V HN 0.712 nan 8.190 nan 0.000 0.462 664 R N 2.255 122.427 120.500 -0.547 0.000 2.679 664 R HA 0.153 4.494 4.340 0.002 0.000 0.269 664 R C -0.132 175.810 176.300 -0.597 0.000 1.076 664 R CA -0.542 54.887 56.100 -1.118 0.000 1.160 664 R CB 0.637 30.399 30.300 -0.895 0.000 1.054 664 R HN 0.970 nan 8.270 nan 0.000 0.507 665 D N 1.317 121.372 120.400 -0.575 0.000 2.384 665 D HA -0.050 4.591 4.640 0.002 0.000 0.244 665 D C -0.225 175.954 176.300 -0.203 0.000 1.251 665 D CA -0.286 53.553 54.000 -0.269 0.000 0.961 665 D CB 0.221 40.871 40.800 -0.251 0.000 1.116 665 D HN 0.564 nan 8.370 nan 0.000 0.484 666 N N -1.397 117.234 118.700 -0.116 0.000 2.727 666 N HA -0.154 4.587 4.740 0.002 0.000 0.249 666 N C -0.920 174.570 175.510 -0.033 0.000 1.048 666 N CA 0.998 53.996 53.050 -0.086 0.000 0.714 666 N CB -1.525 36.854 38.487 -0.181 0.000 0.959 666 N HN 0.532 nan 8.380 nan 0.000 0.544 667 T N 0.779 115.350 114.554 0.029 0.000 2.863 667 T HA 0.577 4.928 4.350 0.002 0.000 0.285 667 T C -0.134 174.681 174.700 0.191 0.000 1.009 667 T CA -0.573 61.561 62.100 0.057 0.000 0.989 667 T CB 2.348 71.181 68.868 -0.059 0.000 1.004 667 T HN 0.154 nan 8.240 nan 0.000 0.455 668 L N 4.174 125.493 121.223 0.160 0.000 2.388 668 L HA 0.642 4.983 4.340 0.002 0.000 0.267 668 L C -1.510 175.515 176.870 0.258 0.000 0.995 668 L CA -0.726 54.241 54.840 0.212 0.000 0.864 668 L CB 0.750 42.872 42.059 0.105 0.000 1.216 668 L HN 0.481 nan 8.230 nan 0.000 0.430 669 L N 4.192 125.621 121.223 0.344 0.000 2.343 669 L HA 0.876 5.217 4.340 0.002 0.000 0.275 669 L C -0.104 176.963 176.870 0.329 0.000 1.056 669 L CA -0.130 54.866 54.840 0.260 0.000 0.804 669 L CB 1.798 43.945 42.059 0.146 0.000 1.203 669 L HN 0.726 nan 8.230 nan 0.000 0.440 670 A N 5.873 128.815 122.820 0.203 0.000 2.285 670 A HA 0.681 5.002 4.320 0.002 0.000 0.310 670 A C -1.135 176.454 177.584 0.008 0.000 1.266 670 A CA -0.481 51.550 52.037 -0.010 0.000 0.832 670 A CB 0.136 19.087 19.000 -0.082 0.000 1.163 670 A HN 0.628 nan 8.150 nan 0.000 0.499 671 L N 2.859 124.105 121.223 0.038 0.000 2.317 671 L HA 0.622 4.963 4.340 0.002 0.000 0.281 671 L C 1.071 177.992 176.870 0.085 0.000 1.024 671 L CA -0.750 54.134 54.840 0.074 0.000 0.810 671 L CB 1.913 44.028 42.059 0.094 0.000 1.240 671 L HN 0.800 nan 8.230 nan 0.000 0.427 672 G N 0.689 109.593 108.800 0.173 0.000 2.621 672 G HA2 0.082 4.043 3.960 0.002 0.000 0.271 672 G HA3 0.082 4.043 3.960 0.002 0.000 0.271 672 G C 0.440 175.471 174.900 0.218 0.000 1.236 672 G CA -0.445 44.848 45.100 0.321 0.000 0.958 672 G HN 0.803 nan 8.290 nan 0.000 0.512 673 N N -0.605 118.214 118.700 0.199 0.000 2.238 673 N HA 0.027 4.768 4.740 0.002 0.000 0.222 673 N C -0.281 175.134 175.510 -0.159 0.000 1.133 673 N CA -0.450 52.614 53.050 0.023 0.000 0.854 673 N CB 0.344 38.850 38.487 0.032 0.000 1.041 673 N HN 0.319 nan 8.380 nan 0.000 0.510 674 N N 1.079 119.534 118.700 -0.408 0.000 2.410 674 N HA 0.111 4.852 4.740 0.002 0.000 0.287 674 N C -1.297 173.942 175.510 -0.451 0.000 1.044 674 N CA -0.325 52.324 53.050 -0.668 0.000 0.881 674 N CB 1.685 39.302 38.487 -1.450 0.000 1.405 674 N HN 0.173 nan 8.380 nan 0.000 0.490 675 D N 1.799 122.056 120.400 -0.238 0.000 2.538 675 D HA 0.114 4.755 4.640 0.002 0.000 0.231 675 D C 0.135 176.400 176.300 -0.058 0.000 1.229 675 D CA 0.158 54.085 54.000 -0.120 0.000 0.828 675 D CB 0.490 41.222 40.800 -0.113 0.000 1.035 675 D HN 0.314 nan 8.370 nan 0.000 0.495 676 Q N 0.390 120.150 119.800 -0.066 0.000 2.316 676 Q HA 0.207 4.548 4.340 0.002 0.000 0.235 676 Q C 0.414 176.513 176.000 0.165 0.000 0.863 676 Q CA 0.408 56.230 55.803 0.033 0.000 0.939 676 Q CB 1.484 30.214 28.738 -0.014 0.000 1.108 676 Q HN 0.538 nan 8.270 nan 0.000 0.522 677 R N -0.781 119.749 120.500 0.050 0.000 2.710 677 R HA 0.400 4.741 4.340 0.002 0.000 0.270 677 R C -2.619 173.734 176.300 0.088 0.000 1.021 677 R CA -1.342 54.746 56.100 -0.020 0.000 0.889 677 R CB 1.118 31.431 30.300 0.021 0.000 1.243 677 R HN -0.312 nan 8.270 nan 0.000 0.464 678 P HA -0.017 nan 4.420 nan 0.000 0.234 678 P C -0.734 176.791 177.300 0.375 0.000 1.175 678 P CA 0.756 64.007 63.100 0.252 0.000 0.801 678 P CB 0.191 31.974 31.700 0.138 0.000 0.891 679 D N 0.896 121.435 120.400 0.232 0.000 2.473 679 D HA 0.189 4.830 4.640 0.002 0.000 0.226 679 D C -0.412 175.847 176.300 -0.069 0.000 1.089 679 D CA -0.833 53.178 54.000 0.020 0.000 0.883 679 D CB -0.011 40.810 40.800 0.036 0.000 1.029 679 D HN 0.223 nan 8.370 nan 0.000 0.517 680 Y N -1.720 118.281 120.300 -0.498 0.000 2.655 680 Y HA 0.487 5.038 4.550 0.002 0.000 0.336 680 Y C -0.657 174.772 175.900 -0.785 0.000 1.154 680 Y CA -1.817 56.005 58.100 -0.464 0.000 1.055 680 Y CB 0.575 38.907 38.460 -0.214 0.000 1.295 680 Y HN -0.087 nan 8.280 nan 0.000 0.465 681 V N 3.054 122.730 119.914 -0.396 0.000 2.416 681 V HA -0.143 3.978 4.120 0.002 0.000 0.260 681 V C 0.453 176.332 176.094 -0.359 0.000 1.018 681 V CA 0.024 62.066 62.300 -0.431 0.000 1.120 681 V CB -0.965 30.677 31.823 -0.301 0.000 1.081 681 V HN 0.844 nan 8.190 nan 0.000 0.474 682 W N 3.572 124.719 121.300 -0.255 0.000 2.425 682 W HA -0.096 4.565 4.660 0.002 0.000 0.277 682 W C 2.161 178.645 176.519 -0.059 0.000 1.231 682 W CA 1.434 58.632 57.345 -0.245 0.000 1.248 682 W CB -0.669 28.640 29.460 -0.252 0.000 1.117 682 W HN 0.894 nan 8.180 nan 0.000 0.568 683 H N -0.581 118.568 119.070 0.130 0.000 2.539 683 H HA 0.195 4.753 4.556 0.002 0.000 0.267 683 H C -0.544 174.811 175.328 0.045 0.000 0.982 683 H CA 0.453 56.552 56.048 0.085 0.000 1.146 683 H CB -0.196 29.611 29.762 0.076 0.000 1.382 683 H HN 0.014 nan 8.280 nan 0.000 0.577 684 E N 0.456 120.479 120.200 -0.295 0.000 2.134 684 E HA 0.380 4.732 4.350 0.002 0.000 0.278 684 E C 0.644 177.236 176.600 -0.014 0.000 0.959 684 E CA 0.392 56.679 56.400 -0.189 0.000 0.783 684 E CB 0.923 30.471 29.700 -0.253 0.000 1.095 684 E HN 0.517 nan 8.360 nan 0.000 0.399 685 G N 3.397 112.221 108.800 0.041 0.000 2.203 685 G HA2 -0.323 3.639 3.960 0.002 0.000 0.263 685 G HA3 -0.323 3.639 3.960 0.002 0.000 0.263 685 G C 0.483 175.438 174.900 0.091 0.000 1.012 685 G CA 0.737 45.880 45.100 0.072 0.000 0.749 685 G HN 0.649 nan 8.290 nan 0.000 0.512 686 T N -0.412 114.190 114.554 0.081 0.000 2.853 686 T HA 0.551 4.902 4.350 0.002 0.000 0.298 686 T C 0.674 175.310 174.700 -0.107 0.000 0.978 686 T CA 0.778 62.846 62.100 -0.053 0.000 1.152 686 T CB 0.850 69.591 68.868 -0.213 0.000 0.914 686 T HN 1.663 nan 8.240 nan 0.000 0.539 687 A N 5.895 128.658 122.820 -0.095 0.000 2.294 687 A HA 0.622 4.943 4.320 0.002 0.000 0.316 687 A C -0.270 177.261 177.584 -0.088 0.000 1.359 687 A CA -0.723 51.305 52.037 -0.016 0.000 0.956 687 A CB -0.318 18.747 19.000 0.108 0.000 1.155 687 A HN 0.797 nan 8.150 nan 0.000 0.544 688 F N 1.726 121.738 119.950 0.103 0.000 2.371 688 F HA 0.397 4.925 4.527 0.002 0.000 0.329 688 F C 1.002 176.742 175.800 -0.101 0.000 1.107 688 F CA 0.470 58.531 58.000 0.101 0.000 1.137 688 F CB 1.054 40.095 39.000 0.069 0.000 1.214 688 F HN 0.503 nan 8.300 nan 0.000 0.536 689 H N 3.570 122.808 119.070 0.280 0.000 2.840 689 H HA 0.245 4.803 4.556 0.002 0.000 0.340 689 H C -1.215 174.146 175.328 0.056 0.000 1.004 689 H CA -0.739 55.362 56.048 0.088 0.000 1.288 689 H CB 2.292 32.094 29.762 0.067 0.000 1.607 689 H HN 0.297 nan 8.280 nan 0.000 0.522 690 L N 4.628 125.848 121.223 -0.004 0.000 2.264 690 L HA 0.351 4.692 4.340 0.002 0.000 0.289 690 L C -1.132 175.645 176.870 -0.154 0.000 1.044 690 L CA -0.313 54.542 54.840 0.024 0.000 0.807 690 L CB -0.081 41.991 42.059 0.022 0.000 1.192 690 L HN 0.453 nan 8.230 nan 0.000 0.425 691 F N 4.153 124.124 119.950 0.036 0.000 2.411 691 F HA 0.368 4.896 4.527 0.002 0.000 0.352 691 F C 0.965 176.745 175.800 -0.032 0.000 1.123 691 F CA -0.877 57.126 58.000 0.005 0.000 1.044 691 F CB 0.731 39.717 39.000 -0.024 0.000 1.135 691 F HN 0.490 nan 8.300 nan 0.000 0.461 692 N N 2.629 121.392 118.700 0.105 0.000 2.725 692 N HA -0.231 4.510 4.740 0.002 0.000 0.280 692 N C -0.741 174.769 175.510 0.000 0.000 1.017 692 N CA 0.322 53.395 53.050 0.039 0.000 0.813 692 N CB -0.585 37.917 38.487 0.024 0.000 0.931 692 N HN 0.448 nan 8.380 nan 0.000 0.570 693 L N 1.367 122.599 121.223 0.014 0.000 2.385 693 L HA 0.092 4.433 4.340 0.002 0.000 0.281 693 L C 0.917 177.797 176.870 0.017 0.000 1.106 693 L CA 0.175 55.021 54.840 0.010 0.000 0.856 693 L CB 0.431 42.510 42.059 0.034 0.000 1.186 693 L HN 0.226 nan 8.230 nan 0.000 0.453 694 Q N 2.513 122.309 119.800 -0.008 0.000 2.414 694 Q HA 0.127 4.468 4.340 0.002 0.000 0.206 694 Q C -0.378 175.726 176.000 0.174 0.000 1.058 694 Q CA -0.530 55.313 55.803 0.068 0.000 1.025 694 Q CB 0.542 29.297 28.738 0.027 0.000 1.196 694 Q HN 0.559 nan 8.270 nan 0.000 0.586 695 D N -0.888 119.610 120.400 0.163 0.000 2.312 695 D HA 0.189 4.830 4.640 0.002 0.000 0.252 695 D C 0.373 176.719 176.300 0.076 0.000 1.150 695 D CA 0.939 55.000 54.000 0.101 0.000 0.870 695 D CB 0.676 41.512 40.800 0.060 0.000 1.153 695 D HN 0.741 nan 8.370 nan 0.000 0.457 696 G N 3.256 112.057 108.800 0.002 0.000 2.157 696 G HA2 -0.182 3.779 3.960 0.002 0.000 0.239 696 G HA3 -0.182 3.779 3.960 0.002 0.000 0.239 696 G C 0.289 175.032 174.900 -0.262 0.000 0.982 696 G CA -0.030 44.997 45.100 -0.122 0.000 0.650 696 G HN 0.693 nan 8.290 nan 0.000 0.527 697 H N -0.038 119.028 119.070 -0.006 0.000 2.651 697 H HA 0.711 5.268 4.556 0.002 0.000 0.353 697 H C -0.448 174.873 175.328 -0.012 0.000 1.178 697 H CA -0.239 55.803 56.048 -0.010 0.000 1.224 697 H CB 2.125 31.881 29.762 -0.010 0.000 1.702 697 H HN 0.383 nan 8.280 nan 0.000 0.550 698 E N 0.540 120.812 120.200 0.121 0.000 2.292 698 E HA 0.580 4.931 4.350 0.002 0.000 0.272 698 E C -1.770 174.856 176.600 0.043 0.000 0.881 698 E CA -0.940 55.491 56.400 0.051 0.000 0.754 698 E CB 2.056 31.763 29.700 0.012 0.000 1.201 698 E HN 0.700 nan 8.360 nan 0.000 0.425 699 A N 3.360 126.192 122.820 0.021 0.000 2.318 699 A HA 0.625 4.946 4.320 0.002 0.000 0.317 699 A C -1.150 176.425 177.584 -0.015 0.000 1.159 699 A CA -0.581 51.464 52.037 0.013 0.000 0.799 699 A CB 1.367 20.386 19.000 0.031 0.000 1.194 699 A HN 0.322 nan 8.150 nan 0.000 0.479 700 V N 1.346 121.249 119.914 -0.018 0.000 2.495 700 V HA 0.515 4.636 4.120 0.002 0.000 0.298 700 V C -0.306 175.775 176.094 -0.023 0.000 1.031 700 V CA -0.648 61.622 62.300 -0.051 0.000 0.871 700 V CB 1.359 33.147 31.823 -0.059 0.000 0.988 700 V HN 1.038 nan 8.190 nan 0.000 0.432 701 C N 4.630 123.900 119.300 -0.051 0.000 2.369 701 C HA 0.646 5.107 4.460 0.002 0.000 0.322 701 C C -0.196 174.795 174.990 0.002 0.000 1.258 701 C CA -0.329 58.713 59.018 0.041 0.000 1.487 701 C CB 0.418 28.254 27.740 0.159 0.000 2.165 701 C HN 1.006 nan 8.230 nan 0.000 0.483 702 E N 4.050 124.279 120.200 0.048 0.000 2.141 702 E HA 0.390 4.741 4.350 0.002 0.000 0.259 702 E C -0.374 176.290 176.600 0.106 0.000 0.883 702 E CA -0.314 56.105 56.400 0.031 0.000 0.744 702 E CB 1.780 31.476 29.700 -0.007 0.000 1.150 702 E HN 0.706 nan 8.360 nan 0.000 0.420 703 V N 2.670 122.704 119.914 0.200 0.000 2.546 703 V HA 0.561 4.682 4.120 0.002 0.000 0.284 703 V C -2.449 173.766 176.094 0.202 0.000 1.050 703 V CA -1.870 60.564 62.300 0.224 0.000 0.981 703 V CB 1.063 33.096 31.823 0.350 0.000 0.990 703 V HN 0.463 nan 8.190 nan 0.000 0.474 704 P HA 0.543 nan 4.420 nan 0.000 0.283 704 P C -0.579 176.964 177.300 0.406 0.000 1.271 704 P CA -0.465 62.777 63.100 0.237 0.000 0.841 704 P CB 2.013 33.828 31.700 0.191 0.000 1.122 705 A N 1.098 124.107 122.820 0.314 0.000 2.242 705 A HA 0.561 4.882 4.320 0.002 0.000 0.304 705 A C 1.615 179.408 177.584 0.349 0.000 1.100 705 A CA 0.012 52.194 52.037 0.243 0.000 0.860 705 A CB -0.311 18.751 19.000 0.104 0.000 1.168 705 A HN 0.495 nan 8.150 nan 0.000 0.503 706 A N -0.222 122.652 122.820 0.090 0.000 2.131 706 A HA -0.112 4.209 4.320 0.002 0.000 0.220 706 A C 1.142 178.856 177.584 0.217 0.000 1.158 706 A CA 2.115 54.146 52.037 -0.009 0.000 0.665 706 A CB -0.642 18.247 19.000 -0.186 0.000 0.795 706 A HN 0.842 nan 8.150 nan 0.000 0.460 707 D N -3.237 117.301 120.400 0.230 0.000 2.363 707 D HA 0.327 4.968 4.640 0.002 0.000 0.214 707 D C 1.125 177.579 176.300 0.255 0.000 1.093 707 D CA 0.828 54.965 54.000 0.228 0.000 0.837 707 D CB -0.332 40.545 40.800 0.129 0.000 0.948 707 D HN 0.648 nan 8.370 nan 0.000 0.507 708 G N 0.399 109.409 108.800 0.350 0.000 2.268 708 G HA2 -0.300 3.661 3.960 0.002 0.000 0.240 708 G HA3 -0.300 3.661 3.960 0.002 0.000 0.240 708 G C 0.505 175.470 174.900 0.108 0.000 1.010 708 G CA 0.310 45.520 45.100 0.183 0.000 0.618 708 G HN 0.846 nan 8.290 nan 0.000 0.516 709 S N -0.084 115.683 115.700 0.112 0.000 2.579 709 S HA 0.546 5.017 4.470 0.002 0.000 0.275 709 S C 0.436 175.083 174.600 0.078 0.000 1.345 709 S CA -0.048 58.194 58.200 0.071 0.000 1.031 709 S CB 2.083 65.319 63.200 0.060 0.000 0.892 709 S HN 1.088 nan 8.310 nan 0.000 0.529 710 V N 3.415 123.358 119.914 0.049 0.000 2.415 710 V HA 0.138 4.259 4.120 0.002 0.000 0.267 710 V C 1.066 177.194 176.094 0.058 0.000 1.042 710 V CA -0.150 62.181 62.300 0.052 0.000 1.000 710 V CB 0.263 32.096 31.823 0.016 0.000 1.015 710 V HN 0.935 nan 8.190 nan 0.000 0.478 711 I N 5.108 125.730 120.570 0.087 0.000 2.852 711 I HA 0.295 4.466 4.170 0.002 0.000 0.264 711 I C 0.116 176.332 176.117 0.166 0.000 1.179 711 I CA 0.906 62.239 61.300 0.056 0.000 1.480 711 I CB 0.241 38.207 38.000 -0.057 0.000 1.111 711 I HN 0.528 nan 8.210 nan 0.000 0.441 712 F N -0.493 119.460 119.950 0.004 0.000 2.615 712 F HA 0.518 5.046 4.527 0.002 0.000 0.312 712 F C -1.048 174.750 175.800 -0.004 0.000 1.119 712 F CA -0.554 57.450 58.000 0.007 0.000 0.979 712 F CB 1.301 40.331 39.000 0.052 0.000 1.266 712 F HN -0.368 nan 8.300 nan 0.000 0.444 713 T N 6.609 120.655 114.554 -0.846 0.000 2.841 713 T HA 0.636 4.988 4.350 0.002 0.000 0.285 713 T C -1.711 172.347 174.700 -1.070 0.000 0.991 713 T CA -0.441 61.242 62.100 -0.695 0.000 0.966 713 T CB 1.500 70.153 68.868 -0.359 0.000 0.962 713 T HN 0.567 nan 8.240 nan 0.000 0.438 714 L N 3.283 124.012 121.223 -0.823 0.000 2.341 714 L HA 0.740 5.081 4.340 0.002 0.000 0.278 714 L C -0.532 176.086 176.870 -0.419 0.000 1.005 714 L CA -0.434 53.946 54.840 -0.767 0.000 0.818 714 L CB 1.426 42.841 42.059 -1.073 0.000 1.259 714 L HN 0.551 nan 8.230 nan 0.000 0.418 715 K N 3.847 124.066 120.400 -0.301 0.000 2.385 715 K HA 0.927 5.248 4.320 0.002 0.000 0.248 715 K C -1.791 174.741 176.600 -0.113 0.000 0.955 715 K CA -0.692 55.493 56.287 -0.170 0.000 0.816 715 K CB 2.033 34.454 32.500 -0.131 0.000 1.250 715 K HN 0.722 nan 8.250 nan 0.000 0.434 716 A N 2.144 124.925 122.820 -0.064 0.000 2.499 716 A HA 0.673 4.995 4.320 0.002 0.000 0.280 716 A C -1.319 176.262 177.584 -0.005 0.000 1.135 716 A CA -0.614 51.407 52.037 -0.026 0.000 0.744 716 A CB 1.160 20.152 19.000 -0.013 0.000 1.213 716 A HN 0.736 nan 8.150 nan 0.000 0.434 717 A N 2.222 125.041 122.820 -0.002 0.000 2.306 717 A HA 0.905 5.226 4.320 0.002 0.000 0.330 717 A C 0.132 177.726 177.584 0.016 0.000 1.146 717 A CA -0.704 51.337 52.037 0.006 0.000 0.827 717 A CB 0.939 19.936 19.000 -0.005 0.000 1.178 717 A HN 0.907 nan 8.150 nan 0.000 0.490 718 R N 1.007 121.522 120.500 0.024 0.000 2.514 718 R HA 0.535 4.876 4.340 0.002 0.000 0.296 718 R C -1.510 174.801 176.300 0.019 0.000 1.012 718 R CA -0.085 56.031 56.100 0.027 0.000 0.897 718 R CB 1.489 31.816 30.300 0.045 0.000 1.184 718 R HN 0.836 nan 8.270 nan 0.000 0.440 719 T N 1.230 115.791 114.554 0.011 0.000 2.847 719 T HA 0.621 4.973 4.350 0.002 0.000 0.291 719 T C 0.673 175.378 174.700 0.009 0.000 0.998 719 T CA 0.039 62.142 62.100 0.005 0.000 0.967 719 T CB 1.765 70.632 68.868 -0.002 0.000 0.954 719 T HN 0.886 nan 8.240 nan 0.000 0.441 720 G N 3.945 112.752 108.800 0.011 0.000 2.536 720 G HA2 -0.291 3.670 3.960 0.002 0.000 0.280 720 G HA3 -0.291 3.670 3.960 0.002 0.000 0.280 720 G C 0.238 175.148 174.900 0.016 0.000 1.152 720 G CA 0.104 45.211 45.100 0.012 0.000 0.970 720 G HN 0.772 nan 8.290 nan 0.000 0.549 721 N N 1.425 120.133 118.700 0.014 0.000 2.338 721 N HA 0.286 5.028 4.740 0.002 0.000 0.251 721 N C -0.407 175.112 175.510 0.015 0.000 1.199 721 N CA 0.562 53.621 53.050 0.016 0.000 0.879 721 N CB 0.979 39.475 38.487 0.014 0.000 1.159 721 N HN 0.488 nan 8.380 nan 0.000 0.514 722 T N 1.742 116.304 114.554 0.014 0.000 2.772 722 T HA 0.420 4.771 4.350 0.002 0.000 0.288 722 T C 0.153 174.862 174.700 0.016 0.000 0.994 722 T CA -0.387 61.721 62.100 0.014 0.000 0.951 722 T CB 1.493 70.367 68.868 0.011 0.000 0.933 722 T HN -0.089 nan 8.240 nan 0.000 0.447 723 I N 3.808 124.389 120.570 0.018 0.000 2.315 723 I HA 0.259 4.430 4.170 0.002 0.000 0.291 723 I C 0.571 176.700 176.117 0.019 0.000 1.006 723 I CA -0.537 60.774 61.300 0.020 0.000 1.265 723 I CB 0.888 38.902 38.000 0.023 0.000 1.387 723 I HN 0.543 nan 8.210 nan 0.000 0.475 724 T N 6.062 120.625 114.554 0.015 0.000 2.832 724 T HA 0.386 4.737 4.350 0.002 0.000 0.313 724 T C 0.322 175.029 174.700 0.011 0.000 1.035 724 T CA -0.371 61.737 62.100 0.014 0.000 0.950 724 T CB 0.847 69.719 68.868 0.007 0.000 0.984 724 T HN 0.216 nan 8.240 nan 0.000 0.486 725 V N 3.354 123.285 119.914 0.028 0.000 2.649 725 V HA 0.623 4.744 4.120 0.002 0.000 0.292 725 V C 0.682 176.794 176.094 0.030 0.000 1.055 725 V CA -0.240 62.078 62.300 0.028 0.000 1.023 725 V CB 1.598 33.473 31.823 0.088 0.000 0.992 725 V HN 0.869 nan 8.190 nan 0.000 0.480 726 T N 2.946 117.489 114.554 -0.018 0.000 3.105 726 T HA 0.630 4.981 4.350 0.002 0.000 0.321 726 T C -0.109 174.531 174.700 -0.100 0.000 1.135 726 T CA 0.130 62.220 62.100 -0.017 0.000 1.053 726 T CB 1.268 70.119 68.868 -0.029 0.000 1.133 726 T HN 1.019 nan 8.240 nan 0.000 0.463 727 G N 1.519 110.299 108.800 -0.032 0.000 2.705 727 G HA2 0.902 4.864 3.960 0.002 0.000 0.299 727 G HA3 0.902 4.864 3.960 0.002 0.000 0.299 727 G C -0.957 173.870 174.900 -0.122 0.000 1.315 727 G CA -0.415 44.591 45.100 -0.156 0.000 1.045 727 G HN 1.250 nan 8.290 nan 0.000 0.517 728 A N -1.406 121.289 122.820 -0.209 0.000 2.562 728 A HA 0.804 5.125 4.320 0.002 0.000 0.305 728 A C 0.103 177.696 177.584 0.015 0.000 1.059 728 A CA 0.585 52.586 52.037 -0.060 0.000 0.835 728 A CB 0.572 19.503 19.000 -0.116 0.000 1.299 728 A HN 2.733 nan 8.150 nan 0.000 0.392 729 G N 1.470 110.386 108.800 0.194 0.000 2.447 729 G HA2 0.413 4.375 3.960 0.002 0.000 0.220 729 G HA3 0.413 4.375 3.960 0.002 0.000 0.220 729 G C -0.649 174.475 174.900 0.374 0.000 1.261 729 G CA 0.108 45.360 45.100 0.255 0.000 1.000 729 G HN 1.963 nan 8.290 nan 0.000 0.515 730 E N -0.609 119.748 120.200 0.261 0.000 2.195 730 E HA 0.786 5.137 4.350 0.002 0.000 0.271 730 E C -0.292 176.269 176.600 -0.064 0.000 0.923 730 E CA -0.630 55.833 56.400 0.106 0.000 0.790 730 E CB 2.270 31.999 29.700 0.049 0.000 1.155 730 E HN 2.257 nan 8.360 nan 0.000 0.402 731 A N 2.169 124.886 122.820 -0.172 0.000 2.540 731 A HA 0.433 4.754 4.320 0.002 0.000 0.315 731 A C -1.716 175.866 177.584 -0.002 0.000 1.037 731 A CA -1.216 50.693 52.037 -0.213 0.000 0.940 731 A CB 0.746 19.088 19.000 -1.097 0.000 1.262 731 A HN 0.594 nan 8.150 nan 0.000 0.377 732 K N 0.992 121.464 120.400 0.120 0.000 2.385 732 K HA 0.834 5.156 4.320 0.002 0.000 0.248 732 K C 0.040 176.709 176.600 0.115 0.000 0.955 732 K CA -0.481 55.884 56.287 0.130 0.000 0.816 732 K CB 0.860 33.395 32.500 0.059 0.000 1.250 732 K HN 0.681 nan 8.250 nan 0.000 0.434 733 N N 0.422 119.143 118.700 0.035 0.000 2.780 733 N HA -0.129 4.612 4.740 0.002 0.000 0.248 733 N C -1.112 174.459 175.510 0.103 0.000 1.102 733 N CA 0.613 53.666 53.050 0.004 0.000 0.697 733 N CB -0.486 38.008 38.487 0.010 0.000 1.028 733 N HN 0.769 nan 8.380 nan 0.000 0.554 734 W N -0.015 121.313 121.300 0.045 0.000 2.390 734 W HA 0.739 5.400 4.660 0.002 0.000 0.362 734 W C 0.092 176.692 176.519 0.136 0.000 1.206 734 W CA -0.342 57.077 57.345 0.122 0.000 1.355 734 W CB 0.853 30.487 29.460 0.291 0.000 1.278 734 W HN -0.064 nan 8.180 nan 0.000 0.653 735 T N 0.801 115.739 114.554 0.639 0.000 2.896 735 T HA 0.546 4.897 4.350 0.002 0.000 0.297 735 T C -1.935 173.114 174.700 0.581 0.000 1.108 735 T CA -0.725 61.615 62.100 0.400 0.000 1.004 735 T CB 1.825 70.783 68.868 0.149 0.000 1.159 735 T HN 0.521 nan 8.240 nan 0.000 0.499 736 L N 4.118 125.563 121.223 0.370 0.000 2.377 736 L HA 0.681 5.023 4.340 0.002 0.000 0.270 736 L C -0.586 176.324 176.870 0.068 0.000 0.991 736 L CA -0.631 54.380 54.840 0.284 0.000 0.851 736 L CB 0.586 42.857 42.059 0.353 0.000 1.218 736 L HN 0.910 nan 8.230 nan 0.000 0.420 737 C N 6.603 125.851 119.300 -0.088 0.000 2.325 737 C HA 0.501 4.962 4.460 0.002 0.000 0.347 737 C C 0.067 175.002 174.990 -0.091 0.000 1.263 737 C CA -0.897 58.044 59.018 -0.128 0.000 1.806 737 C CB -0.325 27.251 27.740 -0.274 0.000 2.405 737 C HN 0.689 nan 8.230 nan 0.000 0.537 738 L N 7.827 129.018 121.223 -0.053 0.000 2.356 738 L HA 0.324 4.665 4.340 0.002 0.000 0.282 738 L C 0.868 177.687 176.870 -0.086 0.000 1.132 738 L CA 0.373 55.179 54.840 -0.058 0.000 0.923 738 L CB -0.627 41.419 42.059 -0.021 0.000 1.278 738 L HN 0.696 nan 8.230 nan 0.000 0.436 739 R N 4.163 124.553 120.500 -0.184 0.000 2.486 739 R HA -0.114 4.228 4.340 0.002 0.000 0.304 739 R C 0.712 176.962 176.300 -0.084 0.000 0.913 739 R CA 0.189 56.166 56.100 -0.206 0.000 1.124 739 R CB -0.253 29.719 30.300 -0.547 0.000 0.891 739 R HN 0.533 nan 8.270 nan 0.000 0.410 740 N N -0.291 118.392 118.700 -0.027 0.000 2.753 740 N HA -0.184 4.557 4.740 0.002 0.000 0.251 740 N C -0.677 174.837 175.510 0.008 0.000 1.097 740 N CA 0.942 53.997 53.050 0.009 0.000 0.786 740 N CB -0.998 37.507 38.487 0.029 0.000 1.137 740 N HN 0.247 nan 8.380 nan 0.000 0.566 741 V N 2.055 121.967 119.914 -0.003 0.000 2.353 741 V HA 0.109 4.231 4.120 0.002 0.000 0.264 741 V C 2.096 178.195 176.094 0.008 0.000 1.049 741 V CA -0.157 62.145 62.300 0.003 0.000 0.896 741 V CB 1.343 33.165 31.823 -0.003 0.000 1.025 741 V HN 0.160 nan 8.190 nan 0.000 0.475 742 V N 2.189 122.110 119.914 0.012 0.000 2.255 742 V HA -0.028 4.093 4.120 0.002 0.000 0.247 742 V C 0.790 176.891 176.094 0.011 0.000 1.051 742 V CA 1.732 64.040 62.300 0.014 0.000 1.018 742 V CB -0.497 31.335 31.823 0.015 0.000 0.641 742 V HN 0.820 nan 8.190 nan 0.000 0.445 743 K N 0.508 120.914 120.400 0.010 0.000 2.597 743 K HA 0.491 4.812 4.320 0.002 0.000 0.282 743 K C -1.488 175.117 176.600 0.008 0.000 0.975 743 K CA -0.013 56.279 56.287 0.009 0.000 0.867 743 K CB 2.253 34.758 32.500 0.009 0.000 1.465 743 K HN 0.619 nan 8.250 nan 0.000 0.417 744 V N -0.054 119.864 119.914 0.007 0.000 2.628 744 V HA 0.575 4.697 4.120 0.002 0.000 0.306 744 V C 0.115 176.213 176.094 0.007 0.000 1.045 744 V CA -0.572 61.733 62.300 0.008 0.000 0.905 744 V CB 1.318 33.146 31.823 0.008 0.000 0.997 744 V HN 0.828 nan 8.190 nan 0.000 0.436 745 N N 2.140 120.844 118.700 0.007 0.000 2.714 745 N HA 0.564 5.305 4.740 0.002 0.000 0.298 745 N C 0.209 175.723 175.510 0.006 0.000 1.298 745 N CA 0.057 53.111 53.050 0.006 0.000 1.007 745 N CB 0.804 39.295 38.487 0.007 0.000 1.318 745 N HN 1.366 nan 8.380 nan 0.000 0.516 746 G N 0.747 109.550 108.800 0.005 0.000 1.837 746 G HA2 0.135 4.096 3.960 0.002 0.000 0.207 746 G HA3 0.135 4.096 3.960 0.002 0.000 0.207 746 G C -1.238 173.665 174.900 0.006 0.000 1.659 746 G CA -0.624 44.479 45.100 0.005 0.000 0.956 746 G HN 0.116 nan 8.290 nan 0.000 0.655 747 L N 0.921 122.146 121.223 0.004 0.000 2.836 747 L HA 0.872 5.213 4.340 0.002 0.000 0.216 747 L C 1.049 177.921 176.870 0.003 0.000 1.861 747 L CA -0.009 54.833 54.840 0.003 0.000 2.145 747 L CB 1.420 43.478 42.059 -0.002 0.000 2.671 747 L HN 0.768 nan 8.230 nan 0.000 0.594 748 Q N -1.292 118.508 119.800 -0.000 0.000 1.506 748 Q HA 0.082 4.424 4.340 0.002 0.000 0.144 748 Q C -0.883 175.114 176.000 -0.005 0.000 0.496 748 Q CA -0.013 55.790 55.803 0.000 0.000 0.833 748 Q CB -0.059 28.683 28.738 0.007 0.000 0.873 748 Q HN 0.467 nan 8.270 nan 0.000 0.178 749 D N 1.070 121.467 120.400 -0.005 0.000 3.071 749 D HA 0.588 5.229 4.640 0.002 0.000 0.259 749 D C -0.471 175.805 176.300 -0.039 0.000 1.331 749 D CA 0.900 54.890 54.000 -0.016 0.000 0.861 749 D CB 0.527 41.325 40.800 -0.004 0.000 1.059 749 D HN 0.408 nan 8.370 nan 0.000 0.486 750 G N -1.259 107.517 108.800 -0.040 0.000 2.489 750 G HA2 0.341 4.302 3.960 0.002 0.000 0.291 750 G HA3 0.341 4.302 3.960 0.002 0.000 0.291 750 G C -0.121 174.750 174.900 -0.048 0.000 1.487 750 G CA -0.566 44.496 45.100 -0.063 0.000 0.795 750 G HN 0.030 nan 8.290 nan 0.000 0.513 751 S N -0.933 114.731 115.700 -0.059 0.000 2.502 751 S HA 0.567 5.038 4.470 0.002 0.000 0.251 751 S C 0.154 174.736 174.600 -0.030 0.000 1.254 751 S CA 0.136 58.310 58.200 -0.042 0.000 0.989 751 S CB 0.610 63.781 63.200 -0.048 0.000 1.015 751 S HN 0.946 nan 8.310 nan 0.000 0.529 752 Q N -0.633 119.153 119.800 -0.022 0.000 2.638 752 Q HA 0.504 4.845 4.340 0.002 0.000 0.227 752 Q C -1.945 174.050 176.000 -0.009 0.000 0.842 752 Q CA -0.403 55.393 55.803 -0.013 0.000 1.095 752 Q CB 0.484 29.217 28.738 -0.008 0.000 1.595 752 Q HN 0.805 nan 8.270 nan 0.000 0.511 753 A N 3.130 125.947 122.820 -0.006 0.000 2.454 753 A HA 0.832 5.153 4.320 0.002 0.000 0.302 753 A C -0.981 176.606 177.584 0.004 0.000 1.079 753 A CA -0.681 51.355 52.037 -0.001 0.000 0.731 753 A CB 1.830 20.828 19.000 -0.003 0.000 1.299 753 A HN 0.638 nan 8.150 nan 0.000 0.413 754 E N 0.549 120.754 120.200 0.008 0.000 2.318 754 E HA 0.626 4.977 4.350 0.002 0.000 0.265 754 E C 0.006 176.618 176.600 0.020 0.000 1.069 754 E CA 0.198 56.606 56.400 0.014 0.000 0.893 754 E CB 1.671 31.380 29.700 0.015 0.000 1.076 754 E HN 0.846 nan 8.360 nan 0.000 0.414 755 S N 0.178 115.894 115.700 0.027 0.000 2.656 755 S HA 0.279 4.750 4.470 0.002 0.000 0.273 755 S C 0.561 175.191 174.600 0.049 0.000 1.168 755 S CA -0.721 57.502 58.200 0.039 0.000 0.817 755 S CB 1.432 64.659 63.200 0.044 0.000 1.146 755 S HN 0.292 nan 8.310 nan 0.000 0.475 756 E N 0.598 120.836 120.200 0.064 0.000 2.153 756 E HA -0.096 4.255 4.350 0.002 0.000 0.194 756 E C 1.513 178.162 176.600 0.083 0.000 0.988 756 E CA 1.451 57.896 56.400 0.074 0.000 0.811 756 E CB -0.202 29.551 29.700 0.090 0.000 0.746 756 E HN 0.719 nan 8.360 nan 0.000 0.466 757 Q N -0.807 119.049 119.800 0.093 0.000 2.403 757 Q HA 0.219 4.561 4.340 0.002 0.000 0.203 757 Q C 0.621 176.652 176.000 0.052 0.000 0.932 757 Q CA 0.384 56.245 55.803 0.096 0.000 0.945 757 Q CB 0.946 29.776 28.738 0.154 0.000 1.045 757 Q HN 0.199 nan 8.270 nan 0.000 0.511 758 G N 0.354 109.177 108.800 0.039 0.000 2.334 758 G HA2 -0.056 3.906 3.960 0.002 0.000 0.315 758 G HA3 -0.056 3.906 3.960 0.002 0.000 0.315 758 G C -1.986 172.920 174.900 0.010 0.000 1.284 758 G CA -1.161 43.949 45.100 0.016 0.000 0.985 758 G HN 0.011 nan 8.290 nan 0.000 0.504 759 L N 0.427 121.651 121.223 0.002 0.000 2.410 759 L HA 0.567 4.908 4.340 0.002 0.000 0.273 759 L C 0.474 177.342 176.870 -0.003 0.000 1.144 759 L CA -0.117 54.724 54.840 0.002 0.000 0.863 759 L CB 1.078 43.138 42.059 0.003 0.000 1.140 759 L HN 0.567 nan 8.230 nan 0.000 0.463 760 V N 6.713 126.626 119.914 -0.001 0.000 2.318 760 V HA 0.295 4.416 4.120 0.002 0.000 0.271 760 V C 0.002 176.097 176.094 0.001 0.000 1.030 760 V CA -0.703 61.596 62.300 -0.003 0.000 0.844 760 V CB 1.261 33.083 31.823 -0.002 0.000 1.015 760 V HN 0.505 nan 8.190 nan 0.000 0.460 761 V N 4.934 124.856 119.914 0.013 0.000 2.546 761 V HA 0.415 4.537 4.120 0.002 0.000 0.284 761 V C 0.182 176.259 176.094 -0.029 0.000 1.050 761 V CA -0.615 61.686 62.300 0.002 0.000 0.981 761 V CB 1.663 33.500 31.823 0.024 0.000 0.990 761 V HN 0.817 nan 8.190 nan 0.000 0.474 762 K N 8.157 128.508 120.400 -0.083 0.000 2.473 762 K HA 0.440 4.761 4.320 0.002 0.000 0.246 762 K C -2.522 173.942 176.600 -0.226 0.000 1.011 762 K CA -2.269 53.916 56.287 -0.171 0.000 0.984 762 K CB 1.271 33.697 32.500 -0.125 0.000 1.250 762 K HN 0.363 nan 8.250 nan 0.000 0.454 763 P HA -0.046 nan 4.420 nan 0.000 0.268 763 P C -0.412 176.733 177.300 -0.257 0.000 1.208 763 P CA 0.073 62.992 63.100 -0.300 0.000 0.777 763 P CB 0.918 32.359 31.700 -0.432 0.000 0.875 764 Q N 1.004 120.716 119.800 -0.148 0.000 2.482 764 Q HA 0.200 4.541 4.340 0.002 0.000 0.209 764 Q C 1.223 177.162 176.000 -0.101 0.000 0.961 764 Q CA 1.524 57.262 55.803 -0.109 0.000 0.945 764 Q CB -0.372 28.329 28.738 -0.062 0.000 1.012 764 Q HN 0.669 nan 8.270 nan 0.000 0.515 765 G N -1.088 107.641 108.800 -0.118 0.000 4.309 765 G HA2 -0.044 3.918 3.960 0.002 0.000 0.201 765 G HA3 -0.044 3.918 3.960 0.002 0.000 0.201 765 G C 0.682 175.591 174.900 0.015 0.000 1.024 765 G CA 0.371 45.436 45.100 -0.057 0.000 1.007 765 G HN 0.205 nan 8.290 nan 0.000 0.348 766 N N 0.010 118.760 118.700 0.084 0.000 2.844 766 N HA 0.225 4.966 4.740 0.002 0.000 0.347 766 N C 0.937 176.590 175.510 0.238 0.000 0.787 766 N CA 0.909 54.126 53.050 0.278 0.000 1.609 766 N CB -0.325 38.326 38.487 0.273 0.000 0.995 766 N HN 0.686 nan 8.380 nan 0.000 1.595 767 A N 2.130 125.036 122.820 0.145 0.000 2.586 767 A HA 0.397 4.718 4.320 0.002 0.000 0.231 767 A C -0.153 177.483 177.584 0.087 0.000 1.055 767 A CA 0.647 52.746 52.037 0.104 0.000 0.756 767 A CB -0.188 18.850 19.000 0.064 0.000 0.988 767 A HN 0.465 nan 8.150 nan 0.000 0.509 768 L N -0.014 121.257 121.223 0.080 0.000 2.775 768 L HA 0.621 4.962 4.340 0.002 0.000 0.263 768 L C -0.445 176.453 176.870 0.047 0.000 1.017 768 L CA -0.507 54.370 54.840 0.063 0.000 0.891 768 L CB 2.712 44.828 42.059 0.095 0.000 1.482 768 L HN 0.783 nan 8.230 nan 0.000 0.410 769 T N 2.050 116.624 114.554 0.034 0.000 3.172 769 T HA 0.609 4.961 4.350 0.002 0.000 0.320 769 T C -1.575 173.138 174.700 0.022 0.000 1.085 769 T CA -0.331 61.784 62.100 0.026 0.000 1.052 769 T CB 0.939 69.819 68.868 0.019 0.000 1.107 769 T HN 0.241 nan 8.240 nan 0.000 0.458 770 I N 3.792 124.375 120.570 0.022 0.000 2.530 770 I HA 0.481 4.652 4.170 0.002 0.000 0.297 770 I C 0.279 176.405 176.117 0.016 0.000 1.011 770 I CA -0.628 60.683 61.300 0.019 0.000 1.107 770 I CB 2.021 40.035 38.000 0.023 0.000 1.285 770 I HN 0.587 nan 8.210 nan 0.000 0.436 771 T N 6.023 120.585 114.554 0.013 0.000 2.809 771 T HA 0.493 4.844 4.350 0.002 0.000 0.284 771 T C 0.292 174.999 174.700 0.011 0.000 0.992 771 T CA -0.529 61.578 62.100 0.012 0.000 0.957 771 T CB 1.371 70.244 68.868 0.010 0.000 0.942 771 T HN 0.133 nan 8.240 nan 0.000 0.439 772 L N 0.000 121.230 121.223 0.012 0.000 2.949 772 L HA 0.000 4.341 4.340 0.002 0.000 0.249 772 L CA 0.000 54.847 54.840 0.012 0.000 0.813 772 L CB 0.000 42.067 42.059 0.014 0.000 0.961 772 L HN 0.000 nan 8.230 nan 0.000 0.502