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 1p7p_1_A DATA FIRST_RESID 4 DATA SEQUENCE AKKILVTCAL PYANGSIHLG HMLEHIQADV WVRYQRMRGH EVNFICADDA DATA SEQUENCE HGTPIMLKAQ QLGITPEQMI GEMSQEHQTD FAGFNISYDN YHSTHSEENR DATA SEQUENCE QLSELIYSRL KENGFIKNRT ISQLYDPEKG MFLPDRFVKG TCPKCKSPDQ DATA SEQUENCE YGDNCEVCGA TYSPTELIEP KSVVSGATPV MRDSEHFFFD LPSFSEMLQA DATA SEQUENCE WTRSGALQEQ VANKMQEWFE SGLQQWDISR DAPYFGFEIP NAPGKYFYVW DATA SEQUENCE LDAPIGYMGS FKNLCDKRGD SVSFDEYWKK DSTAELYHFI GKDIVYFHSL DATA SEQUENCE FWPAMLEGSN FRKPSNLFVH GYVTVNGAKM SKSRGTFIKA STWLNHFDAD DATA SEQUENCE SLRYYYTAKL SSRIDDIDLN LEDFVQRVNA DIVNKVVNLA SRNAGFINKR DATA SEQUENCE FDGVLASELA DPQLYKTFTD AAEVIGEAWE SREFGKAVRE IMALADLANR DATA SEQUENCE YVDEQAPWVV AKQEGRDADL QAICSMGINL FRVLMTYLKP VLPKLTERAE DATA SEQUENCE AFLNTELTWD GIQQPLLGHK VNPFKALYNR IDMRQVEALV EASKE 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.613 177.584 0.049 0.000 1.274 4 A CA 0.000 52.111 52.037 0.122 0.000 0.836 4 A CB 0.000 19.050 19.000 0.084 0.000 0.831 5 K N 1.446 121.830 120.400 -0.026 0.000 2.202 5 K HA 0.411 4.734 4.320 0.004 0.000 0.264 5 K C -0.288 176.266 176.600 -0.077 0.000 1.010 5 K CA 0.015 56.196 56.287 -0.177 0.000 0.940 5 K CB 0.947 33.165 32.500 -0.471 0.000 0.983 5 K HN 0.563 nan 8.250 nan 0.000 0.475 6 K N 2.693 123.029 120.400 -0.106 0.000 2.293 6 K HA 0.398 4.720 4.320 0.004 0.000 0.267 6 K C -0.657 175.910 176.600 -0.054 0.000 1.010 6 K CA -0.307 55.935 56.287 -0.075 0.000 0.875 6 K CB 0.861 33.171 32.500 -0.318 0.000 1.106 6 K HN 0.404 nan 8.250 nan 0.000 0.450 7 I N 3.969 124.629 120.570 0.151 0.000 2.498 7 I HA 0.353 4.526 4.170 0.004 0.000 0.290 7 I C -0.837 175.455 176.117 0.293 0.000 1.032 7 I CA -0.925 60.499 61.300 0.208 0.000 1.073 7 I CB 1.891 40.043 38.000 0.253 0.000 1.251 7 I HN 0.394 nan 8.210 nan 0.000 0.426 8 L N 7.346 128.678 121.223 0.181 0.000 2.319 8 L HA 0.659 5.001 4.340 0.004 0.000 0.281 8 L C -1.270 175.680 176.870 0.132 0.000 1.005 8 L CA -0.565 54.300 54.840 0.043 0.000 0.828 8 L CB 1.442 43.336 42.059 -0.276 0.000 1.227 8 L HN 0.335 nan 8.230 nan 0.000 0.415 9 V N 3.180 123.270 119.914 0.293 0.000 2.555 9 V HA 0.648 4.770 4.120 0.004 0.000 0.302 9 V C 0.163 176.553 176.094 0.493 0.000 1.038 9 V CA -0.356 62.194 62.300 0.417 0.000 0.887 9 V CB 2.156 34.271 31.823 0.487 0.000 0.991 9 V HN 0.861 nan 8.190 nan 0.000 0.434 10 T N 0.811 115.622 114.554 0.428 0.000 2.901 10 T HA 0.693 5.045 4.350 0.004 0.000 0.293 10 T C -0.684 174.281 174.700 0.441 0.000 1.084 10 T CA -0.604 61.735 62.100 0.397 0.000 1.008 10 T CB 1.738 70.641 68.868 0.058 0.000 1.170 10 T HN 0.616 nan 8.240 nan 0.000 0.509 11 C N 1.320 120.822 119.300 0.337 0.000 2.667 11 C HA 0.910 5.372 4.460 0.004 0.000 0.323 11 C C 1.069 176.218 174.990 0.263 0.000 1.214 11 C CA -0.636 58.489 59.018 0.178 0.000 1.721 11 C CB 1.097 28.654 27.740 -0.305 0.000 2.275 11 C HN 1.263 nan 8.230 nan 0.000 0.491 12 A N 1.891 124.867 122.820 0.261 0.000 2.520 12 A HA 0.410 4.733 4.320 0.004 0.000 0.235 12 A C -0.224 177.519 177.584 0.264 0.000 1.065 12 A CA 0.111 52.344 52.037 0.326 0.000 0.764 12 A CB -0.023 19.153 19.000 0.294 0.000 1.002 12 A HN 0.832 nan 8.150 nan 0.000 0.502 13 L N 3.210 124.508 121.223 0.125 0.000 2.385 13 L HA 0.234 4.576 4.340 0.004 0.000 0.281 13 L C -2.144 174.792 176.870 0.110 0.000 1.106 13 L CA -1.627 53.226 54.840 0.022 0.000 0.856 13 L CB 0.300 42.239 42.059 -0.199 0.000 1.186 13 L HN 0.435 nan 8.230 nan 0.000 0.453 14 P HA -0.044 nan 4.420 nan 0.000 0.267 14 P C -0.637 176.823 177.300 0.267 0.000 1.205 14 P CA 0.052 63.301 63.100 0.248 0.000 0.765 14 P CB 0.259 31.998 31.700 0.066 0.000 0.828 15 Y N 1.958 122.324 120.300 0.111 0.000 2.511 15 Y HA 0.072 4.623 4.550 0.002 0.000 0.332 15 Y C 1.535 177.528 175.900 0.156 0.000 1.177 15 Y CA -0.767 57.369 58.100 0.060 0.000 1.422 15 Y CB 0.783 39.276 38.460 0.055 0.000 1.271 15 Y HN 0.461 nan 8.280 nan 0.000 0.550 16 A N 3.636 126.343 122.820 -0.188 0.000 2.252 16 A HA -0.130 4.192 4.320 0.004 0.000 0.207 16 A C 1.026 178.460 177.584 -0.249 0.000 1.194 16 A CA 0.740 52.661 52.037 -0.194 0.000 0.809 16 A CB -0.687 18.155 19.000 -0.264 0.000 0.814 16 A HN 0.787 nan 8.150 nan 0.000 0.482 17 N N -0.199 118.347 118.700 -0.256 0.000 2.273 17 N HA 0.298 5.040 4.740 0.004 0.000 0.231 17 N C 0.160 175.694 175.510 0.040 0.000 1.134 17 N CA 0.658 53.624 53.050 -0.140 0.000 0.856 17 N CB 0.265 38.643 38.487 -0.181 0.000 1.068 17 N HN 0.207 nan 8.380 nan 0.000 0.510 18 G N -1.042 107.835 108.800 0.128 0.000 2.720 18 G HA2 0.440 4.403 3.960 0.004 0.000 0.295 18 G HA3 0.440 4.403 3.960 0.004 0.000 0.295 18 G C -1.450 173.600 174.900 0.250 0.000 1.437 18 G CA -0.521 44.699 45.100 0.199 0.000 0.886 18 G HN 0.075 nan 8.290 nan 0.000 0.509 19 S N 0.288 116.105 115.700 0.195 0.000 2.592 19 S HA 0.404 4.876 4.470 0.004 0.000 0.271 19 S C 0.751 175.304 174.600 -0.078 0.000 1.326 19 S CA -0.558 57.710 58.200 0.112 0.000 1.024 19 S CB 0.715 63.974 63.200 0.099 0.000 0.921 19 S HN 0.424 nan 8.310 nan 0.000 0.527 20 I N 3.548 123.910 120.570 -0.347 0.000 2.618 20 I HA 0.145 4.317 4.170 0.004 0.000 0.284 20 I C 0.636 176.608 176.117 -0.242 0.000 1.146 20 I CA 0.323 61.238 61.300 -0.641 0.000 1.425 20 I CB -0.746 36.720 38.000 -0.889 0.000 1.383 20 I HN 0.776 nan 8.210 nan 0.000 0.562 21 H N 4.323 123.436 119.070 0.071 0.000 2.824 21 H HA 0.522 5.080 4.556 0.004 0.000 0.345 21 H C 0.567 175.868 175.328 -0.046 0.000 1.252 21 H CA -0.999 55.005 56.048 -0.073 0.000 1.246 21 H CB 0.450 30.046 29.762 -0.277 0.000 1.908 21 H HN 0.314 nan 8.280 nan 0.000 0.601 22 L N -0.108 121.195 121.223 0.132 0.000 2.189 22 L HA -0.116 4.226 4.340 0.004 0.000 0.214 22 L C 2.376 179.363 176.870 0.194 0.000 1.097 22 L CA 1.607 56.498 54.840 0.085 0.000 0.764 22 L CB -0.752 41.323 42.059 0.028 0.000 0.900 22 L HN 0.980 nan 8.230 nan 0.000 0.436 23 G N -0.994 108.062 108.800 0.426 0.000 2.404 23 G HA2 -0.257 3.705 3.960 0.004 0.000 0.215 23 G HA3 -0.257 3.705 3.960 0.004 0.000 0.215 23 G C 1.155 176.119 174.900 0.106 0.000 1.174 23 G CA 0.719 45.983 45.100 0.273 0.000 0.780 23 G HN 0.406 nan 8.290 nan 0.000 0.537 24 H N -0.329 118.745 119.070 0.007 0.000 2.353 24 H HA -0.005 4.553 4.556 0.003 0.000 0.300 24 H C 2.756 178.167 175.328 0.139 0.000 1.090 24 H CA 1.633 57.709 56.048 0.046 0.000 1.327 24 H CB -0.031 29.654 29.762 -0.129 0.000 1.383 24 H HN 0.140 nan 8.280 nan 0.000 0.508 25 M N -0.031 119.650 119.600 0.135 0.000 2.149 25 M HA -0.116 4.366 4.480 0.004 0.000 0.261 25 M C 2.254 178.612 176.300 0.096 0.000 1.064 25 M CA 0.892 56.214 55.300 0.035 0.000 1.102 25 M CB -0.918 31.511 32.600 -0.284 0.000 1.369 25 M HN 0.293 nan 8.290 nan 0.000 0.408 26 L N 0.668 121.857 121.223 -0.057 0.000 2.012 26 L HA -0.201 4.142 4.340 0.004 0.000 0.210 26 L C 2.348 179.026 176.870 -0.319 0.000 1.073 26 L CA 2.138 56.697 54.840 -0.469 0.000 0.748 26 L CB -0.794 40.832 42.059 -0.722 0.000 0.891 26 L HN 0.430 nan 8.230 nan 0.000 0.431 27 E N -1.665 118.369 120.200 -0.277 0.000 2.047 27 E HA -0.245 4.107 4.350 0.004 0.000 0.191 27 E C 2.146 178.706 176.600 -0.067 0.000 0.987 27 E CA 1.286 57.541 56.400 -0.242 0.000 0.799 27 E CB -0.255 29.453 29.700 0.014 0.000 0.752 27 E HN 0.687 nan 8.360 nan 0.000 0.449 28 H N -0.131 118.951 119.070 0.019 0.000 2.423 28 H HA -0.051 4.506 4.556 0.003 0.000 0.297 28 H C 2.301 177.657 175.328 0.046 0.000 1.075 28 H CA 1.220 57.300 56.048 0.054 0.000 1.342 28 H CB 0.183 29.937 29.762 -0.013 0.000 1.395 28 H HN 0.285 nan 8.280 nan 0.000 0.530 29 I N 0.739 121.401 120.570 0.153 0.000 2.286 29 I HA -0.250 3.922 4.170 0.004 0.000 0.245 29 I C 2.852 179.023 176.117 0.090 0.000 1.104 29 I CA 0.928 62.315 61.300 0.146 0.000 1.397 29 I CB -0.224 37.914 38.000 0.229 0.000 1.072 29 I HN 0.227 nan 8.210 nan 0.000 0.417 30 Q N 1.249 121.073 119.800 0.040 0.000 2.061 30 Q HA -0.255 4.087 4.340 0.004 0.000 0.204 30 Q C 2.287 178.193 176.000 -0.157 0.000 0.984 30 Q CA 2.207 58.057 55.803 0.079 0.000 0.846 30 Q CB -0.100 28.603 28.738 -0.058 0.000 0.902 30 Q HN 0.538 nan 8.270 nan 0.000 0.421 31 A N 0.530 123.010 122.820 -0.566 0.000 1.898 31 A HA -0.210 4.112 4.320 0.004 0.000 0.216 31 A C 1.707 178.956 177.584 -0.558 0.000 1.181 31 A CA 1.765 53.144 52.037 -1.096 0.000 0.620 31 A CB -0.774 17.651 19.000 -0.958 0.000 0.819 31 A HN 0.613 nan 8.150 nan 0.000 0.442 32 D N -0.658 119.592 120.400 -0.250 0.000 2.144 32 D HA -0.114 4.528 4.640 0.004 0.000 0.199 32 D C 1.754 177.962 176.300 -0.153 0.000 0.984 32 D CA 1.395 55.298 54.000 -0.161 0.000 0.834 32 D CB -0.018 40.830 40.800 0.079 0.000 0.955 32 D HN 0.137 nan 8.370 nan 0.000 0.465 33 V N -0.359 119.487 119.914 -0.113 0.000 2.343 33 V HA -0.177 3.945 4.120 0.004 0.000 0.247 33 V C 1.928 177.899 176.094 -0.205 0.000 1.051 33 V CA 1.670 63.814 62.300 -0.260 0.000 1.036 33 V CB -0.663 30.885 31.823 -0.457 0.000 0.654 33 V HN 0.430 nan 8.190 nan 0.000 0.451 34 W N 0.329 121.549 121.300 -0.134 0.000 2.355 34 W HA -0.168 4.493 4.660 0.002 0.000 0.309 34 W C 2.380 178.858 176.519 -0.068 0.000 1.206 34 W CA 1.976 59.332 57.345 0.018 0.000 1.284 34 W CB -0.421 29.135 29.460 0.160 0.000 1.145 34 W HN 0.020 nan 8.180 nan 0.000 0.502 35 V N 1.004 120.871 119.914 -0.079 0.000 2.343 35 V HA -0.321 3.801 4.120 0.004 0.000 0.247 35 V C 2.426 178.384 176.094 -0.226 0.000 1.051 35 V CA 2.311 64.469 62.300 -0.237 0.000 1.036 35 V CB -0.803 30.714 31.823 -0.510 0.000 0.654 35 V HN 0.147 nan 8.190 nan 0.000 0.451 36 R N -1.392 118.991 120.500 -0.196 0.000 2.092 36 R HA -0.181 4.161 4.340 0.004 0.000 0.231 36 R C 2.322 178.491 176.300 -0.218 0.000 1.119 36 R CA 1.856 57.857 56.100 -0.165 0.000 0.970 36 R CB -0.470 29.748 30.300 -0.138 0.000 0.864 36 R HN 0.642 nan 8.270 nan 0.000 0.440 37 Y N 1.934 121.996 120.300 -0.397 0.000 2.145 37 Y HA -0.222 4.330 4.550 0.003 0.000 0.286 37 Y C 2.266 177.898 175.900 -0.447 0.000 1.145 37 Y CA 1.461 59.286 58.100 -0.458 0.000 1.148 37 Y CB -0.090 38.041 38.460 -0.549 0.000 0.981 37 Y HN -0.044 nan 8.280 nan 0.000 0.507 38 Q N 0.561 119.993 119.800 -0.613 0.000 2.135 38 Q HA -0.186 4.156 4.340 0.004 0.000 0.204 38 Q C 2.301 178.030 176.000 -0.453 0.000 0.981 38 Q CA 1.770 57.227 55.803 -0.577 0.000 0.856 38 Q CB -0.425 28.029 28.738 -0.474 0.000 0.902 38 Q HN 0.576 nan 8.270 nan 0.000 0.425 39 R N -0.181 120.126 120.500 -0.322 0.000 2.092 39 R HA 0.038 4.380 4.340 0.004 0.000 0.231 39 R C 2.363 178.499 176.300 -0.272 0.000 1.119 39 R CA 0.962 56.932 56.100 -0.217 0.000 0.970 39 R CB -0.211 30.020 30.300 -0.115 0.000 0.864 39 R HN 0.280 nan 8.270 nan 0.000 0.440 40 M N 0.159 119.555 119.600 -0.340 0.000 2.279 40 M HA -0.098 4.384 4.480 0.004 0.000 0.264 40 M C 1.263 177.325 176.300 -0.398 0.000 1.062 40 M CA 1.315 56.447 55.300 -0.279 0.000 1.099 40 M CB 0.069 32.550 32.600 -0.197 0.000 1.394 40 M HN -0.096 nan 8.290 nan 0.000 0.426 41 R N 0.148 120.227 120.500 -0.702 0.000 2.335 41 R HA 0.189 4.532 4.340 0.004 0.000 0.223 41 R C 1.089 176.968 176.300 -0.701 0.000 0.940 41 R CA 0.460 56.099 56.100 -0.768 0.000 1.086 41 R CB -0.919 28.756 30.300 -1.041 0.000 1.073 41 R HN 0.576 nan 8.270 nan 0.000 0.504 42 G N 0.750 109.262 108.800 -0.480 0.000 2.143 42 G HA2 -0.303 3.659 3.960 0.004 0.000 0.249 42 G HA3 -0.303 3.659 3.960 0.004 0.000 0.249 42 G C -0.130 174.637 174.900 -0.221 0.000 0.981 42 G CA 0.311 45.232 45.100 -0.299 0.000 0.665 42 G HN 0.543 nan 8.290 nan 0.000 0.528 43 H N 0.000 118.993 119.070 -0.129 0.000 2.547 43 H HA 0.491 5.049 4.556 0.004 0.000 0.362 43 H C 0.491 175.802 175.328 -0.028 0.000 1.181 43 H CA -0.084 55.914 56.048 -0.082 0.000 1.376 43 H CB 0.964 30.656 29.762 -0.118 0.000 1.488 43 H HN 0.328 nan 8.280 nan 0.000 0.583 44 E N 2.092 122.392 120.200 0.166 0.000 2.105 44 E HA 0.236 4.588 4.350 0.004 0.000 0.285 44 E C -1.306 175.407 176.600 0.188 0.000 1.055 44 E CA -0.467 56.027 56.400 0.158 0.000 0.843 44 E CB 0.412 30.217 29.700 0.174 0.000 1.067 44 E HN 0.233 nan 8.360 nan 0.000 0.398 45 V N 5.033 125.048 119.914 0.169 0.000 2.555 45 V HA 0.357 4.479 4.120 0.004 0.000 0.302 45 V C -0.261 175.966 176.094 0.221 0.000 1.038 45 V CA -1.028 61.381 62.300 0.181 0.000 0.887 45 V CB 1.946 33.833 31.823 0.107 0.000 0.991 45 V HN 0.693 nan 8.190 nan 0.000 0.434 46 N N 3.365 122.213 118.700 0.248 0.000 2.573 46 N HA 0.344 5.086 4.740 0.004 0.000 0.262 46 N C -1.503 174.231 175.510 0.373 0.000 1.029 46 N CA -0.351 52.869 53.050 0.282 0.000 0.882 46 N CB 1.789 40.402 38.487 0.211 0.000 1.204 46 N HN 0.568 nan 8.380 nan 0.000 0.519 47 F N 4.734 124.821 119.950 0.228 0.000 2.390 47 F HA 0.464 4.993 4.527 0.003 0.000 0.361 47 F C -0.534 175.461 175.800 0.324 0.000 1.124 47 F CA -1.211 56.947 58.000 0.264 0.000 1.149 47 F CB 0.236 39.371 39.000 0.226 0.000 1.160 47 F HN 0.262 nan 8.300 nan 0.000 0.501 48 I N 5.917 126.764 120.570 0.462 0.000 2.530 48 I HA 0.417 4.589 4.170 0.004 0.000 0.297 48 I C 0.019 176.213 176.117 0.128 0.000 1.011 48 I CA -0.524 60.935 61.300 0.266 0.000 1.107 48 I CB 1.075 39.283 38.000 0.347 0.000 1.285 48 I HN 0.622 nan 8.210 nan 0.000 0.436 49 C N 3.780 123.017 119.300 -0.106 0.000 3.276 49 C HA 0.967 5.430 4.460 0.004 0.000 0.370 49 C C -1.115 173.482 174.990 -0.655 0.000 1.624 49 C CA 0.336 59.162 59.018 -0.320 0.000 1.179 49 C CB 1.553 28.969 27.740 -0.541 0.000 1.909 49 C HN 1.128 nan 8.230 nan 0.000 0.434 50 A N 1.590 123.832 122.820 -0.963 0.000 2.481 50 A HA 0.558 4.880 4.320 0.004 0.000 0.295 50 A C -2.292 174.977 177.584 -0.525 0.000 0.986 50 A CA -0.346 51.120 52.037 -0.952 0.000 0.617 50 A CB 0.196 18.976 19.000 -0.367 0.000 1.364 50 A HN 0.731 nan 8.150 nan 0.000 0.452 51 D N 0.974 121.255 120.400 -0.198 0.000 2.256 51 D HA 0.472 5.114 4.640 0.004 0.000 0.250 51 D C -0.946 175.294 176.300 -0.101 0.000 1.093 51 D CA 0.605 54.627 54.000 0.036 0.000 0.882 51 D CB 1.352 42.233 40.800 0.135 0.000 1.185 51 D HN 0.424 nan 8.370 nan 0.000 0.437 52 D N 1.521 121.887 120.400 -0.057 0.000 2.411 52 D HA 0.310 4.952 4.640 0.004 0.000 0.225 52 D C -0.229 176.007 176.300 -0.108 0.000 1.156 52 D CA -0.398 53.526 54.000 -0.127 0.000 0.874 52 D CB 0.798 41.559 40.800 -0.064 0.000 1.034 52 D HN 0.307 nan 8.370 nan 0.000 0.502 53 A N 4.037 126.705 122.820 -0.253 0.000 2.430 53 A HA 0.141 4.463 4.320 0.004 0.000 0.243 53 A C 0.374 177.922 177.584 -0.060 0.000 1.254 53 A CA -0.055 51.856 52.037 -0.209 0.000 0.914 53 A CB -0.093 18.829 19.000 -0.131 0.000 0.998 53 A HN 0.658 nan 8.150 nan 0.000 0.515 54 H N -1.332 117.648 119.070 -0.150 0.000 2.615 54 H HA 0.622 5.178 4.556 -0.000 0.000 0.346 54 H C 0.564 175.829 175.328 -0.104 0.000 1.200 54 H CA -0.258 55.670 56.048 -0.201 0.000 1.264 54 H CB 1.606 31.155 29.762 -0.355 0.000 1.699 54 H HN 0.529 nan 8.280 nan 0.000 0.567 55 G N -0.341 108.338 108.800 -0.202 0.000 2.428 55 G HA2 -0.173 3.789 3.960 0.004 0.000 0.681 55 G HA3 -0.173 3.789 3.960 0.004 0.000 0.681 55 G C 0.470 175.138 174.900 -0.387 0.000 1.340 55 G CA -0.226 44.710 45.100 -0.274 0.000 0.915 55 G HN 0.540 nan 8.290 nan 0.000 0.645 56 T N 1.763 116.142 114.554 -0.291 0.000 2.720 56 T HA -0.058 4.294 4.350 0.004 0.000 0.268 56 T C -0.051 174.575 174.700 -0.125 0.000 1.037 56 T CA 2.512 64.487 62.100 -0.210 0.000 1.144 56 T CB -0.742 68.093 68.868 -0.055 0.000 0.864 56 T HN 0.384 nan 8.240 nan 0.000 0.444 57 P HA -0.014 nan 4.420 nan 0.000 0.216 57 P C 1.456 178.769 177.300 0.022 0.000 1.153 57 P CA 0.961 64.183 63.100 0.203 0.000 0.858 57 P CB -0.144 31.774 31.700 0.363 0.000 0.789 58 I N -1.806 118.715 120.570 -0.082 0.000 2.252 58 I HA -0.221 3.951 4.170 0.004 0.000 0.245 58 I C 2.505 178.460 176.117 -0.271 0.000 1.102 58 I CA 1.325 62.492 61.300 -0.221 0.000 1.385 58 I CB -0.420 37.410 38.000 -0.285 0.000 1.064 58 I HN -0.029 nan 8.210 nan 0.000 0.414 59 M N 0.799 120.241 119.600 -0.262 0.000 2.080 59 M HA -0.247 4.235 4.480 0.004 0.000 0.260 59 M C 2.306 178.467 176.300 -0.232 0.000 1.068 59 M CA 2.021 57.146 55.300 -0.291 0.000 1.109 59 M CB -0.049 32.399 32.600 -0.254 0.000 1.342 59 M HN 0.173 nan 8.290 nan 0.000 0.405 60 L N -0.038 121.071 121.223 -0.190 0.000 2.046 60 L HA -0.231 4.111 4.340 0.004 0.000 0.208 60 L C 2.590 179.404 176.870 -0.094 0.000 1.077 60 L CA 1.507 56.262 54.840 -0.143 0.000 0.747 60 L CB -0.803 41.165 42.059 -0.152 0.000 0.896 60 L HN 0.373 nan 8.230 nan 0.000 0.432 61 K N 0.437 120.789 120.400 -0.080 0.000 2.063 61 K HA -0.213 4.109 4.320 0.004 0.000 0.208 61 K C 2.149 178.680 176.600 -0.115 0.000 1.048 61 K CA 1.444 57.688 56.287 -0.071 0.000 0.928 61 K CB -0.106 32.351 32.500 -0.072 0.000 0.713 61 K HN 0.271 nan 8.250 nan 0.000 0.442 62 A N 1.012 123.725 122.820 -0.178 0.000 1.877 62 A HA -0.231 4.091 4.320 0.004 0.000 0.216 62 A C 2.032 179.526 177.584 -0.150 0.000 1.186 62 A CA 1.646 53.564 52.037 -0.199 0.000 0.620 62 A CB -0.598 18.221 19.000 -0.303 0.000 0.822 62 A HN 0.486 nan 8.150 nan 0.000 0.443 63 Q N -0.712 119.002 119.800 -0.142 0.000 2.135 63 Q HA -0.244 4.098 4.340 0.004 0.000 0.204 63 Q C 2.334 178.287 176.000 -0.077 0.000 0.981 63 Q CA 1.773 57.511 55.803 -0.107 0.000 0.856 63 Q CB -0.190 28.485 28.738 -0.105 0.000 0.902 63 Q HN 0.808 nan 8.270 nan 0.000 0.425 64 Q N -0.145 119.615 119.800 -0.066 0.000 2.046 64 Q HA -0.080 4.262 4.340 0.004 0.000 0.200 64 Q C 1.898 177.870 176.000 -0.047 0.000 0.975 64 Q CA 0.690 56.467 55.803 -0.043 0.000 0.836 64 Q CB 0.036 28.760 28.738 -0.024 0.000 0.896 64 Q HN 0.292 nan 8.270 nan 0.000 0.428 65 L N -0.183 121.004 121.223 -0.060 0.000 2.549 65 L HA -0.009 4.333 4.340 0.004 0.000 0.229 65 L C 1.159 177.992 176.870 -0.061 0.000 1.158 65 L CA 1.555 56.360 54.840 -0.059 0.000 0.842 65 L CB -1.154 40.862 42.059 -0.073 0.000 0.952 65 L HN 0.579 nan 8.230 nan 0.000 0.452 66 G N 1.244 110.004 108.800 -0.066 0.000 2.143 66 G HA2 -0.285 3.677 3.960 0.004 0.000 0.248 66 G HA3 -0.285 3.677 3.960 0.004 0.000 0.248 66 G C 0.341 175.199 174.900 -0.070 0.000 0.991 66 G CA 0.640 45.703 45.100 -0.062 0.000 0.689 66 G HN 0.498 nan 8.290 nan 0.000 0.522 67 I N -2.429 118.087 120.570 -0.091 0.000 3.002 67 I HA 0.838 5.010 4.170 0.004 0.000 0.310 67 I C 0.657 176.692 176.117 -0.136 0.000 1.087 67 I CA -0.698 60.542 61.300 -0.100 0.000 1.017 67 I CB 1.779 39.720 38.000 -0.099 0.000 1.226 67 I HN 0.208 nan 8.210 nan 0.000 0.443 68 T N -0.002 114.473 114.554 -0.131 0.000 2.900 68 T HA 0.257 4.609 4.350 0.004 0.000 0.307 68 T C -1.927 172.606 174.700 -0.278 0.000 1.065 68 T CA -0.968 61.030 62.100 -0.170 0.000 1.105 68 T CB 0.704 69.506 68.868 -0.110 0.000 0.979 68 T HN 0.520 nan 8.240 nan 0.000 0.544 69 P HA -0.037 nan 4.420 nan 0.000 0.218 69 P C 1.266 178.201 177.300 -0.609 0.000 1.149 69 P CA 0.838 63.461 63.100 -0.795 0.000 0.817 69 P CB 0.083 30.771 31.700 -1.687 0.000 0.785 70 E N -0.472 119.516 120.200 -0.354 0.000 2.051 70 E HA -0.227 4.125 4.350 0.004 0.000 0.192 70 E C 2.156 178.696 176.600 -0.100 0.000 0.991 70 E CA 1.172 57.511 56.400 -0.102 0.000 0.799 70 E CB -0.764 28.962 29.700 0.043 0.000 0.748 70 E HN 0.348 nan 8.360 nan 0.000 0.449 71 Q N -0.014 119.715 119.800 -0.118 0.000 2.079 71 Q HA -0.175 4.167 4.340 0.004 0.000 0.200 71 Q C 2.212 178.137 176.000 -0.126 0.000 0.974 71 Q CA 1.475 57.220 55.803 -0.097 0.000 0.840 71 Q CB -0.115 28.570 28.738 -0.088 0.000 0.898 71 Q HN 0.348 nan 8.270 nan 0.000 0.430 72 M N 0.786 120.280 119.600 -0.177 0.000 2.086 72 M HA -0.162 4.320 4.480 0.004 0.000 0.261 72 M C 2.168 178.351 176.300 -0.195 0.000 1.067 72 M CA 1.772 56.959 55.300 -0.188 0.000 1.116 72 M CB -0.218 32.242 32.600 -0.232 0.000 1.348 72 M HN 0.482 nan 8.290 nan 0.000 0.407 73 I N -2.443 118.000 120.570 -0.212 0.000 2.394 73 I HA 0.011 4.183 4.170 0.004 0.000 0.251 73 I C 2.154 178.191 176.117 -0.134 0.000 1.136 73 I CA 1.510 62.700 61.300 -0.182 0.000 1.425 73 I CB -1.467 36.450 38.000 -0.138 0.000 1.079 73 I HN 0.293 nan 8.210 nan 0.000 0.425 74 G N 1.284 110.026 108.800 -0.097 0.000 2.418 74 G HA2 -0.194 3.768 3.960 0.004 0.000 0.217 74 G HA3 -0.194 3.768 3.960 0.004 0.000 0.217 74 G C 1.519 176.365 174.900 -0.089 0.000 1.158 74 G CA 0.862 45.924 45.100 -0.064 0.000 0.771 74 G HN 0.575 nan 8.290 nan 0.000 0.545 75 E N -0.229 119.905 120.200 -0.110 0.000 2.072 75 E HA -0.055 4.297 4.350 0.004 0.000 0.191 75 E C 2.611 179.110 176.600 -0.168 0.000 0.985 75 E CA 0.724 57.055 56.400 -0.115 0.000 0.801 75 E CB -0.161 29.476 29.700 -0.106 0.000 0.750 75 E HN 0.253 nan 8.360 nan 0.000 0.452 76 M N 0.632 120.094 119.600 -0.231 0.000 2.175 76 M HA -0.101 4.381 4.480 0.004 0.000 0.264 76 M C 2.503 178.493 176.300 -0.517 0.000 1.063 76 M CA 1.038 56.097 55.300 -0.402 0.000 1.119 76 M CB -0.938 31.396 32.600 -0.443 0.000 1.377 76 M HN 0.040 nan 8.290 nan 0.000 0.415 77 S N 0.063 115.591 115.700 -0.287 0.000 2.368 77 S HA -0.165 4.308 4.470 0.004 0.000 0.225 77 S C 1.887 176.413 174.600 -0.124 0.000 1.030 77 S CA 1.129 59.245 58.200 -0.140 0.000 0.999 77 S CB 0.035 63.222 63.200 -0.021 0.000 0.844 77 S HN 0.451 nan 8.310 nan 0.000 0.459 78 Q N 0.713 120.444 119.800 -0.115 0.000 2.084 78 Q HA -0.112 4.230 4.340 0.004 0.000 0.202 78 Q C 2.206 178.146 176.000 -0.101 0.000 0.978 78 Q CA 1.446 57.198 55.803 -0.085 0.000 0.844 78 Q CB -0.528 28.173 28.738 -0.063 0.000 0.898 78 Q HN 0.763 nan 8.270 nan 0.000 0.426 79 E N 0.235 120.353 120.200 -0.137 0.000 2.031 79 E HA -0.209 4.143 4.350 0.004 0.000 0.193 79 E C 1.803 178.349 176.600 -0.090 0.000 0.994 79 E CA 0.976 57.310 56.400 -0.110 0.000 0.800 79 E CB -0.047 29.579 29.700 -0.124 0.000 0.752 79 E HN 0.552 nan 8.360 nan 0.000 0.447 80 H N -0.146 118.781 119.070 -0.238 0.000 2.319 80 H HA -0.124 4.434 4.556 0.003 0.000 0.299 80 H C 2.385 177.452 175.328 -0.435 0.000 1.092 80 H CA 1.358 57.159 56.048 -0.411 0.000 1.302 80 H CB 0.085 29.694 29.762 -0.255 0.000 1.373 80 H HN 0.287 nan 8.280 nan 0.000 0.497 81 Q N -0.198 119.493 119.800 -0.182 0.000 2.224 81 Q HA -0.090 4.252 4.340 0.004 0.000 0.203 81 Q C 2.147 178.131 176.000 -0.027 0.000 0.970 81 Q CA 1.437 57.139 55.803 -0.169 0.000 0.865 81 Q CB 0.159 28.754 28.738 -0.237 0.000 0.922 81 Q HN 0.400 nan 8.270 nan 0.000 0.445 82 T N 1.045 115.571 114.554 -0.047 0.000 2.777 82 T HA -0.117 4.235 4.350 0.004 0.000 0.266 82 T C 1.050 175.760 174.700 0.016 0.000 1.040 82 T CA 1.320 63.417 62.100 -0.006 0.000 1.141 82 T CB -0.168 68.688 68.868 -0.020 0.000 0.868 82 T HN 0.230 nan 8.240 nan 0.000 0.444 83 D N 0.715 121.082 120.400 -0.055 0.000 2.084 83 D HA -0.001 4.641 4.640 0.004 0.000 0.196 83 D C 1.851 178.230 176.300 0.132 0.000 0.985 83 D CA 0.969 54.955 54.000 -0.023 0.000 0.826 83 D CB -0.526 40.138 40.800 -0.227 0.000 0.978 83 D HN 0.418 nan 8.370 nan 0.000 0.456 84 F N 1.363 121.377 119.950 0.108 0.000 2.161 84 F HA -0.172 4.357 4.527 0.003 0.000 0.300 84 F C 2.527 178.442 175.800 0.191 0.000 1.089 84 F CA 0.677 58.772 58.000 0.159 0.000 1.282 84 F CB -0.134 38.984 39.000 0.196 0.000 1.010 84 F HN -0.063 nan 8.300 nan 0.000 0.485 85 A N 0.389 123.395 122.820 0.310 0.000 1.933 85 A HA -0.100 4.222 4.320 0.004 0.000 0.218 85 A C 2.447 180.131 177.584 0.165 0.000 1.175 85 A CA 1.675 53.834 52.037 0.203 0.000 0.628 85 A CB -1.529 17.552 19.000 0.135 0.000 0.814 85 A HN 0.402 nan 8.150 nan 0.000 0.444 86 G N -2.028 106.865 108.800 0.155 0.000 2.471 86 G HA2 -0.074 3.888 3.960 0.004 0.000 0.219 86 G HA3 -0.074 3.888 3.960 0.004 0.000 0.219 86 G C 0.974 175.852 174.900 -0.037 0.000 1.125 86 G CA 0.760 45.886 45.100 0.043 0.000 0.775 86 G HN 0.458 nan 8.290 nan 0.000 0.548 87 F N 0.548 120.584 119.950 0.144 0.000 2.664 87 F HA 0.272 4.801 4.527 0.003 0.000 0.303 87 F C 0.841 176.719 175.800 0.130 0.000 1.092 87 F CA -0.620 57.472 58.000 0.154 0.000 1.305 87 F CB 0.144 39.247 39.000 0.173 0.000 1.054 87 F HN 0.013 nan 8.300 nan 0.000 0.565 88 N N 1.274 120.111 118.700 0.227 0.000 2.740 88 N HA -0.180 4.562 4.740 0.004 0.000 0.248 88 N C -0.730 174.851 175.510 0.118 0.000 1.062 88 N CA 0.437 53.577 53.050 0.150 0.000 0.704 88 N CB -1.206 37.354 38.487 0.122 0.000 0.968 88 N HN 0.079 nan 8.380 nan 0.000 0.547 89 I N 1.165 121.783 120.570 0.079 0.000 2.363 89 I HA -0.001 4.171 4.170 0.004 0.000 0.292 89 I C 1.425 177.361 176.117 -0.302 0.000 1.075 89 I CA -0.006 61.213 61.300 -0.135 0.000 1.333 89 I CB 0.355 38.132 38.000 -0.371 0.000 1.415 89 I HN 0.139 nan 8.210 nan 0.000 0.502 90 S N 6.299 121.968 115.700 -0.051 0.000 3.544 90 S HA 0.131 4.603 4.470 0.004 0.000 0.227 90 S C 0.102 174.786 174.600 0.139 0.000 1.387 90 S CA -0.556 57.684 58.200 0.067 0.000 1.182 90 S CB -1.234 62.057 63.200 0.151 0.000 1.243 90 S HN 0.351 nan 8.310 nan 0.000 0.467 91 Y N 1.110 121.444 120.300 0.058 0.000 2.683 91 Y HA 0.057 4.610 4.550 0.005 0.000 0.340 91 Y C 1.474 177.444 175.900 0.117 0.000 1.245 91 Y CA -0.248 57.799 58.100 -0.089 0.000 1.485 91 Y CB 0.367 38.754 38.460 -0.121 0.000 1.328 91 Y HN 0.330 nan 8.280 nan 0.000 0.603 92 D N 0.492 121.091 120.400 0.332 0.000 2.327 92 D HA -0.034 4.608 4.640 0.004 0.000 0.205 92 D C -0.007 176.427 176.300 0.224 0.000 0.989 92 D CA 0.852 55.011 54.000 0.264 0.000 0.873 92 D CB 0.321 41.287 40.800 0.277 0.000 0.955 92 D HN 0.594 nan 8.370 nan 0.000 0.515 93 N N -0.614 118.226 118.700 0.234 0.000 2.516 93 N HA 0.047 4.789 4.740 0.004 0.000 0.268 93 N C -2.111 173.472 175.510 0.122 0.000 1.096 93 N CA -0.373 52.780 53.050 0.172 0.000 0.954 93 N CB 1.874 40.436 38.487 0.125 0.000 1.676 93 N HN -0.153 nan 8.380 nan 0.000 0.490 94 Y N 2.895 123.196 120.300 0.001 0.000 2.363 94 Y HA 0.318 4.872 4.550 0.005 0.000 0.325 94 Y C -0.398 175.545 175.900 0.070 0.000 0.984 94 Y CA -0.289 57.752 58.100 -0.099 0.000 1.248 94 Y CB 0.402 38.736 38.460 -0.209 0.000 1.116 94 Y HN 0.723 nan 8.280 nan 0.000 0.470 95 H N 1.889 120.857 119.070 -0.170 0.000 3.591 95 H HA 0.731 5.287 4.556 -0.000 0.000 0.197 95 H C -0.921 174.355 175.328 -0.086 0.000 1.601 95 H CA -0.203 55.812 56.048 -0.054 0.000 1.631 95 H CB 1.663 31.399 29.762 -0.042 0.000 0.864 95 H HN 0.435 nan 8.280 nan 0.000 0.846 96 S N -1.582 113.871 115.700 -0.412 0.000 2.537 96 S HA 0.241 4.714 4.470 0.004 0.000 0.270 96 S C 0.488 174.899 174.600 -0.315 0.000 1.142 96 S CA -0.004 57.995 58.200 -0.335 0.000 0.870 96 S CB 0.688 63.713 63.200 -0.291 0.000 1.112 96 S HN 0.786 nan 8.310 nan 0.000 0.466 97 T N 0.378 114.750 114.554 -0.304 0.000 3.035 97 T HA 0.010 4.362 4.350 0.004 0.000 0.268 97 T C 0.740 175.217 174.700 -0.372 0.000 1.109 97 T CA 1.158 63.046 62.100 -0.353 0.000 1.119 97 T CB -0.521 68.030 68.868 -0.529 0.000 0.900 97 T HN 0.671 nan 8.240 nan 0.000 0.503 98 H N 2.272 121.074 119.070 -0.447 0.000 2.788 98 H HA 0.555 5.116 4.556 0.008 0.000 0.254 98 H C -0.319 174.996 175.328 -0.022 0.000 1.541 98 H CA -0.563 55.367 56.048 -0.197 0.000 1.295 98 H CB -0.379 29.319 29.762 -0.106 0.000 1.592 98 H HN 0.437 nan 8.280 nan 0.000 0.545 99 S N 1.398 117.081 115.700 -0.028 0.000 2.596 99 S HA 0.171 4.643 4.470 0.004 0.000 0.270 99 S C 0.666 175.270 174.600 0.006 0.000 1.155 99 S CA -1.010 57.154 58.200 -0.060 0.000 0.827 99 S CB 1.798 64.937 63.200 -0.101 0.000 1.130 99 S HN 0.371 nan 8.310 nan 0.000 0.467 100 E N 0.837 121.025 120.200 -0.018 0.000 2.106 100 E HA -0.061 4.291 4.350 0.004 0.000 0.192 100 E C 1.387 177.933 176.600 -0.090 0.000 0.984 100 E CA 1.812 58.167 56.400 -0.075 0.000 0.806 100 E CB -0.294 29.374 29.700 -0.053 0.000 0.750 100 E HN 0.721 nan 8.360 nan 0.000 0.458 101 E N 0.110 120.299 120.200 -0.018 0.000 2.077 101 E HA -0.142 4.210 4.350 0.004 0.000 0.193 101 E C 1.862 178.416 176.600 -0.078 0.000 0.989 101 E CA 1.300 57.662 56.400 -0.063 0.000 0.800 101 E CB -0.303 29.376 29.700 -0.034 0.000 0.746 101 E HN 0.326 nan 8.360 nan 0.000 0.452 102 N N 0.233 118.935 118.700 0.003 0.000 2.216 102 N HA -0.162 4.580 4.740 0.004 0.000 0.183 102 N C 1.974 177.393 175.510 -0.152 0.000 1.017 102 N CA 0.488 53.560 53.050 0.036 0.000 0.861 102 N CB 0.099 38.711 38.487 0.209 0.000 0.986 102 N HN 0.017 nan 8.380 nan 0.000 0.428 103 R N 1.017 121.212 120.500 -0.509 0.000 2.073 103 R HA -0.132 4.210 4.340 0.004 0.000 0.234 103 R C 2.089 178.071 176.300 -0.529 0.000 1.134 103 R CA 1.558 56.938 56.100 -1.199 0.000 0.952 103 R CB -0.049 29.623 30.300 -1.046 0.000 0.850 103 R HN 0.386 nan 8.270 nan 0.000 0.433 104 Q N 0.148 119.765 119.800 -0.305 0.000 2.079 104 Q HA -0.137 4.205 4.340 0.004 0.000 0.200 104 Q C 2.297 178.219 176.000 -0.130 0.000 0.974 104 Q CA 1.405 57.100 55.803 -0.180 0.000 0.840 104 Q CB -0.036 28.617 28.738 -0.140 0.000 0.898 104 Q HN 0.400 nan 8.270 nan 0.000 0.430 105 L N 0.090 121.228 121.223 -0.141 0.000 2.093 105 L HA -0.139 4.203 4.340 0.004 0.000 0.208 105 L C 2.416 179.232 176.870 -0.090 0.000 1.085 105 L CA 0.716 55.496 54.840 -0.100 0.000 0.755 105 L CB -0.225 41.753 42.059 -0.136 0.000 0.904 105 L HN 0.122 nan 8.230 nan 0.000 0.435 106 S N -0.406 115.211 115.700 -0.139 0.000 2.368 106 S HA -0.158 4.314 4.470 0.004 0.000 0.224 106 S C 1.809 176.280 174.600 -0.214 0.000 1.029 106 S CA 1.116 59.191 58.200 -0.209 0.000 0.988 106 S CB -0.123 62.965 63.200 -0.186 0.000 0.838 106 S HN 0.450 nan 8.310 nan 0.000 0.462 107 E N 0.670 120.824 120.200 -0.077 0.000 2.106 107 E HA -0.115 4.238 4.350 0.004 0.000 0.192 107 E C 2.076 178.756 176.600 0.132 0.000 0.984 107 E CA 0.747 57.214 56.400 0.113 0.000 0.806 107 E CB -0.227 29.520 29.700 0.079 0.000 0.750 107 E HN 0.266 nan 8.360 nan 0.000 0.458 108 L N 1.254 122.516 121.223 0.066 0.000 1.994 108 L HA -0.155 4.187 4.340 0.004 0.000 0.208 108 L C 2.125 179.075 176.870 0.134 0.000 1.071 108 L CA 1.580 56.481 54.840 0.101 0.000 0.745 108 L CB -0.315 41.813 42.059 0.115 0.000 0.892 108 L HN 0.075 nan 8.230 nan 0.000 0.431 109 I N -1.483 119.163 120.570 0.127 0.000 2.208 109 I HA -0.341 3.831 4.170 0.004 0.000 0.245 109 I C 2.418 178.602 176.117 0.111 0.000 1.097 109 I CA 1.682 63.066 61.300 0.140 0.000 1.363 109 I CB -0.468 37.577 38.000 0.075 0.000 1.051 109 I HN 0.405 nan 8.210 nan 0.000 0.413 110 Y N 1.934 122.214 120.300 -0.034 0.000 2.145 110 Y HA -0.331 4.209 4.550 -0.017 0.000 0.286 110 Y C 2.879 178.841 175.900 0.103 0.000 1.145 110 Y CA 1.766 59.880 58.100 0.022 0.000 1.148 110 Y CB -0.563 37.924 38.460 0.045 0.000 0.981 110 Y HN 0.266 nan 8.280 nan 0.000 0.507 111 S N 0.198 115.906 115.700 0.013 0.000 2.368 111 S HA -0.224 4.248 4.470 0.004 0.000 0.225 111 S C 2.075 176.631 174.600 -0.073 0.000 1.030 111 S CA 1.338 59.490 58.200 -0.079 0.000 0.999 111 S CB -0.596 62.634 63.200 0.050 0.000 0.844 111 S HN 0.561 nan 8.310 nan 0.000 0.459 112 R N 0.761 121.271 120.500 0.016 0.000 2.075 112 R HA 0.164 4.506 4.340 0.004 0.000 0.232 112 R C 2.442 178.804 176.300 0.104 0.000 1.126 112 R CA 1.459 57.593 56.100 0.058 0.000 0.963 112 R CB -0.611 29.750 30.300 0.101 0.000 0.858 112 R HN 0.425 nan 8.270 nan 0.000 0.435 113 L N 0.646 121.944 121.223 0.126 0.000 2.056 113 L HA -0.173 4.169 4.340 0.004 0.000 0.207 113 L C 2.625 179.588 176.870 0.154 0.000 1.078 113 L CA 1.349 56.372 54.840 0.305 0.000 0.749 113 L CB -0.392 41.851 42.059 0.306 0.000 0.901 113 L HN 0.170 nan 8.230 nan 0.000 0.433 114 K N 0.525 120.848 120.400 -0.128 0.000 2.025 114 K HA -0.248 4.075 4.320 0.004 0.000 0.207 114 K C 2.086 178.607 176.600 -0.131 0.000 1.049 114 K CA 1.637 57.797 56.287 -0.212 0.000 0.933 114 K CB -0.013 32.202 32.500 -0.476 0.000 0.714 114 K HN 0.222 nan 8.250 nan 0.000 0.438 115 E N 0.475 120.612 120.200 -0.106 0.000 2.160 115 E HA -0.188 4.164 4.350 0.004 0.000 0.195 115 E C 0.960 177.501 176.600 -0.099 0.000 0.991 115 E CA 1.363 57.714 56.400 -0.081 0.000 0.810 115 E CB -0.004 29.668 29.700 -0.048 0.000 0.742 115 E HN 0.423 nan 8.360 nan 0.000 0.466 116 N N -0.924 117.722 118.700 -0.091 0.000 2.461 116 N HA 0.040 4.782 4.740 0.004 0.000 0.188 116 N C 0.527 175.678 175.510 -0.599 0.000 1.134 116 N CA 0.237 53.150 53.050 -0.228 0.000 0.878 116 N CB 0.552 39.042 38.487 0.005 0.000 0.972 116 N HN 0.283 nan 8.380 nan 0.000 0.456 117 G N 0.626 109.198 108.800 -0.381 0.000 2.147 117 G HA2 -0.284 3.678 3.960 0.004 0.000 0.244 117 G HA3 -0.284 3.678 3.960 0.004 0.000 0.244 117 G C 0.303 174.994 174.900 -0.349 0.000 1.005 117 G CA -0.226 44.654 45.100 -0.366 0.000 0.713 117 G HN 0.431 nan 8.290 nan 0.000 0.515 118 F N -0.160 119.862 119.950 0.119 0.000 2.693 118 F HA 0.440 4.966 4.527 -0.002 0.000 0.303 118 F C 0.919 176.868 175.800 0.248 0.000 1.097 118 F CA -0.411 57.712 58.000 0.204 0.000 1.330 118 F CB 0.504 39.764 39.000 0.435 0.000 1.067 118 F HN 0.045 nan 8.300 nan 0.000 0.565 119 I N 1.856 122.596 120.570 0.283 0.000 2.406 119 I HA 0.307 4.479 4.170 0.004 0.000 0.290 119 I C -0.407 175.831 176.117 0.202 0.000 0.999 119 I CA -0.787 60.679 61.300 0.277 0.000 1.124 119 I CB 1.396 39.485 38.000 0.148 0.000 1.289 119 I HN -0.112 nan 8.210 nan 0.000 0.441 120 K N 5.040 125.615 120.400 0.291 0.000 2.259 120 K HA 0.496 4.818 4.320 0.004 0.000 0.249 120 K C -0.648 176.175 176.600 0.372 0.000 0.942 120 K CA -0.877 55.556 56.287 0.244 0.000 0.816 120 K CB 1.867 34.478 32.500 0.186 0.000 1.155 120 K HN 0.353 nan 8.250 nan 0.000 0.428 121 N N 1.947 120.820 118.700 0.289 0.000 2.430 121 N HA 0.373 5.115 4.740 0.004 0.000 0.292 121 N C -0.586 175.095 175.510 0.284 0.000 1.051 121 N CA -0.414 52.872 53.050 0.394 0.000 0.917 121 N CB 1.886 40.551 38.487 0.296 0.000 1.164 121 N HN 0.402 nan 8.380 nan 0.000 0.484 122 R N 0.286 121.000 120.500 0.358 0.000 2.604 122 R HA 0.321 4.663 4.340 0.004 0.000 0.270 122 R C -1.251 175.187 176.300 0.230 0.000 1.052 122 R CA -0.437 55.770 56.100 0.179 0.000 0.902 122 R CB 1.346 31.570 30.300 -0.127 0.000 1.233 122 R HN 0.418 nan 8.270 nan 0.000 0.455 123 T N 5.088 119.710 114.554 0.114 0.000 2.845 123 T HA 0.487 4.839 4.350 0.004 0.000 0.288 123 T C 0.102 174.834 174.700 0.053 0.000 0.980 123 T CA -0.392 61.764 62.100 0.093 0.000 1.071 123 T CB 0.434 69.337 68.868 0.060 0.000 0.941 123 T HN 0.484 nan 8.240 nan 0.000 0.487 124 I N -0.901 119.683 120.570 0.023 0.000 3.042 124 I HA 0.840 5.012 4.170 0.004 0.000 0.310 124 I C -0.524 175.566 176.117 -0.045 0.000 1.117 124 I CA -0.994 60.281 61.300 -0.041 0.000 1.003 124 I CB 2.432 40.346 38.000 -0.145 0.000 1.228 124 I HN 0.479 nan 8.210 nan 0.000 0.443 125 S N 2.135 117.823 115.700 -0.021 0.000 2.472 125 S HA 0.535 5.007 4.470 0.004 0.000 0.303 125 S C -0.902 173.728 174.600 0.049 0.000 1.099 125 S CA -0.339 57.885 58.200 0.039 0.000 1.077 125 S CB 1.151 64.382 63.200 0.053 0.000 1.031 125 S HN 0.796 nan 8.310 nan 0.000 0.487 126 Q N 3.735 123.635 119.800 0.167 0.000 2.377 126 Q HA 0.439 4.781 4.340 0.004 0.000 0.279 126 Q C -1.421 174.816 176.000 0.394 0.000 1.049 126 Q CA -0.780 55.159 55.803 0.226 0.000 0.825 126 Q CB 1.268 30.079 28.738 0.120 0.000 1.401 126 Q HN 0.731 nan 8.270 nan 0.000 0.404 127 L N 2.984 124.382 121.223 0.292 0.000 2.525 127 L HA 0.081 4.423 4.340 0.004 0.000 0.278 127 L C -0.711 176.348 176.870 0.315 0.000 1.218 127 L CA 0.528 55.516 54.840 0.247 0.000 0.878 127 L CB 0.039 42.202 42.059 0.174 0.000 1.127 127 L HN 0.579 nan 8.230 nan 0.000 0.492 128 Y N 2.736 123.036 120.300 -0.001 0.000 2.406 128 Y HA 0.232 4.784 4.550 0.003 0.000 0.340 128 Y C -0.472 175.345 175.900 -0.138 0.000 0.975 128 Y CA -1.212 56.763 58.100 -0.209 0.000 1.056 128 Y CB 1.509 39.675 38.460 -0.489 0.000 1.210 128 Y HN 0.498 nan 8.280 nan 0.000 0.448 129 D N 8.492 128.513 120.400 -0.631 0.000 2.393 129 D HA 0.192 4.834 4.640 0.004 0.000 0.232 129 D C -1.840 174.001 176.300 -0.764 0.000 1.192 129 D CA -2.250 51.456 54.000 -0.490 0.000 0.882 129 D CB 1.682 42.277 40.800 -0.342 0.000 1.038 129 D HN 0.408 nan 8.370 nan 0.000 0.499 130 P HA -0.118 nan 4.420 nan 0.000 0.221 130 P C 1.111 178.318 177.300 -0.155 0.000 1.150 130 P CA 0.739 63.728 63.100 -0.184 0.000 0.800 130 P CB 0.735 32.441 31.700 0.011 0.000 0.787 131 E N 0.648 120.755 120.200 -0.156 0.000 2.008 131 E HA -0.181 4.171 4.350 0.004 0.000 0.191 131 E C 2.173 178.696 176.600 -0.129 0.000 0.986 131 E CA 0.999 57.335 56.400 -0.107 0.000 0.807 131 E CB -0.141 29.509 29.700 -0.083 0.000 0.766 131 E HN -0.119 nan 8.360 nan 0.000 0.450 132 K N 0.079 120.377 120.400 -0.169 0.000 2.147 132 K HA -0.060 4.262 4.320 0.004 0.000 0.205 132 K C 0.571 177.053 176.600 -0.196 0.000 1.049 132 K CA 1.273 57.463 56.287 -0.162 0.000 0.936 132 K CB -0.251 32.148 32.500 -0.167 0.000 0.722 132 K HN 0.332 nan 8.250 nan 0.000 0.446 133 G N 1.160 109.760 108.800 -0.334 0.000 2.341 133 G HA2 -0.229 3.733 3.960 0.004 0.000 0.278 133 G HA3 -0.229 3.733 3.960 0.004 0.000 0.278 133 G C -0.265 174.441 174.900 -0.322 0.000 1.111 133 G CA 0.526 45.429 45.100 -0.329 0.000 0.982 133 G HN 0.507 nan 8.290 nan 0.000 0.502 134 M N -1.834 117.392 119.600 -0.624 0.000 2.471 134 M HA 0.773 5.255 4.480 0.004 0.000 0.284 134 M C -0.920 175.219 176.300 -0.267 0.000 1.203 134 M CA -1.211 53.938 55.300 -0.252 0.000 0.915 134 M CB 1.232 33.754 32.600 -0.131 0.000 1.734 134 M HN -0.052 nan 8.290 nan 0.000 0.485 135 F N 2.248 122.290 119.950 0.152 0.000 2.471 135 F HA 0.448 4.978 4.527 0.003 0.000 0.353 135 F C -0.141 175.703 175.800 0.072 0.000 1.113 135 F CA 0.011 58.130 58.000 0.198 0.000 1.262 135 F CB 0.806 39.930 39.000 0.207 0.000 1.146 135 F HN 0.431 nan 8.300 nan 0.000 0.578 136 L N 5.243 126.628 121.223 0.271 0.000 2.287 136 L HA 0.405 4.748 4.340 0.004 0.000 0.287 136 L C -2.303 174.725 176.870 0.263 0.000 1.022 136 L CA -2.071 52.891 54.840 0.204 0.000 0.814 136 L CB 1.172 43.333 42.059 0.170 0.000 1.217 136 L HN 0.348 nan 8.230 nan 0.000 0.420 137 P HA 0.070 nan 4.420 nan 0.000 0.272 137 P C 0.024 177.512 177.300 0.313 0.000 1.230 137 P CA -0.371 62.918 63.100 0.316 0.000 0.788 137 P CB 0.735 32.684 31.700 0.416 0.000 0.949 138 D N 1.438 121.969 120.400 0.219 0.000 2.133 138 D HA -0.221 4.422 4.640 0.004 0.000 0.192 138 D C 1.711 178.104 176.300 0.155 0.000 1.001 138 D CA 1.601 55.702 54.000 0.168 0.000 0.844 138 D CB -0.384 40.488 40.800 0.119 0.000 0.944 138 D HN 0.534 nan 8.370 nan 0.000 0.447 139 R N -0.118 120.451 120.500 0.114 0.000 2.293 139 R HA -0.060 4.282 4.340 0.004 0.000 0.219 139 R C 1.160 177.359 176.300 -0.168 0.000 1.091 139 R CA 0.750 56.824 56.100 -0.043 0.000 1.004 139 R CB -0.631 29.562 30.300 -0.178 0.000 0.865 139 R HN 0.166 nan 8.270 nan 0.000 0.469 140 F N 0.885 120.925 119.950 0.150 0.000 2.668 140 F HA 0.288 4.817 4.527 0.004 0.000 0.297 140 F C -0.192 175.664 175.800 0.093 0.000 1.124 140 F CA -0.521 57.560 58.000 0.135 0.000 1.353 140 F CB 1.145 40.206 39.000 0.100 0.000 0.992 140 F HN -0.230 nan 8.300 nan 0.000 0.524 141 V N 1.524 121.545 119.914 0.179 0.000 2.487 141 V HA 0.393 4.516 4.120 0.004 0.000 0.298 141 V C -0.379 175.704 176.094 -0.018 0.000 1.028 141 V CA -1.042 61.312 62.300 0.091 0.000 0.860 141 V CB 1.890 33.780 31.823 0.111 0.000 0.991 141 V HN 0.200 nan 8.190 nan 0.000 0.427 142 K N 3.072 123.391 120.400 -0.134 0.000 2.385 142 K HA 0.986 5.308 4.320 0.004 0.000 0.248 142 K C -0.199 176.298 176.600 -0.172 0.000 0.955 142 K CA -0.653 55.449 56.287 -0.308 0.000 0.816 142 K CB 2.942 34.990 32.500 -0.753 0.000 1.250 142 K HN 0.857 nan 8.250 nan 0.000 0.434 143 G N 0.311 109.026 108.800 -0.142 0.000 2.494 143 G HA2 0.311 4.273 3.960 0.004 0.000 0.308 143 G HA3 0.311 4.273 3.960 0.004 0.000 0.308 143 G C -1.504 173.357 174.900 -0.065 0.000 1.263 143 G CA -0.732 44.316 45.100 -0.086 0.000 0.840 143 G HN 0.469 nan 8.290 nan 0.000 0.479 144 T N 0.245 114.762 114.554 -0.061 0.000 2.799 144 T HA 0.401 4.753 4.350 0.004 0.000 0.286 144 T C 0.332 174.978 174.700 -0.089 0.000 0.973 144 T CA -0.069 61.999 62.100 -0.054 0.000 1.035 144 T CB 0.959 69.797 68.868 -0.050 0.000 0.932 144 T HN 0.855 nan 8.240 nan 0.000 0.469 145 C N 6.765 126.031 119.300 -0.058 0.000 2.590 145 C HA 0.135 4.597 4.460 0.004 0.000 0.411 145 C C -0.873 174.004 174.990 -0.189 0.000 1.420 145 C CA -1.400 57.546 59.018 -0.121 0.000 1.643 145 C CB -0.134 27.627 27.740 0.035 0.000 2.528 145 C HN 0.690 nan 8.230 nan 0.000 0.606 146 P HA -0.101 nan 4.420 nan 0.000 0.218 146 P C 1.085 178.309 177.300 -0.127 0.000 1.149 146 P CA 1.573 64.525 63.100 -0.246 0.000 0.817 146 P CB 0.075 31.567 31.700 -0.346 0.000 0.785 147 K N -0.408 119.938 120.400 -0.090 0.000 2.017 147 K HA 0.010 4.332 4.320 0.004 0.000 0.207 147 K C 2.262 178.860 176.600 -0.004 0.000 1.035 147 K CA 1.660 57.937 56.287 -0.016 0.000 0.947 147 K CB -1.585 30.939 32.500 0.039 0.000 0.749 147 K HN 0.276 nan 8.250 nan 0.000 0.443 148 C N 0.969 120.276 119.300 0.012 0.000 2.594 148 C HA 0.313 4.775 4.460 0.004 0.000 0.265 148 C C 0.425 175.417 174.990 0.002 0.000 1.351 148 C CA -0.351 58.675 59.018 0.014 0.000 1.744 148 C CB -0.331 27.427 27.740 0.030 0.000 1.890 148 C HN 0.417 nan 8.230 nan 0.000 0.551 149 K N 0.553 120.946 120.400 -0.012 0.000 3.339 149 K HA -0.135 4.187 4.320 0.004 0.000 0.299 149 K C -0.019 176.577 176.600 -0.007 0.000 1.270 149 K CA 1.055 57.331 56.287 -0.019 0.000 0.875 149 K CB -2.563 29.927 32.500 -0.016 0.000 1.298 149 K HN 0.658 nan 8.250 nan 0.000 0.485 150 S N 2.260 117.965 115.700 0.008 0.000 2.531 150 S HA 0.275 4.747 4.470 0.004 0.000 0.279 150 S C -1.503 173.105 174.600 0.013 0.000 1.305 150 S CA -0.781 57.430 58.200 0.018 0.000 1.058 150 S CB 1.185 64.407 63.200 0.036 0.000 0.899 150 S HN 0.126 nan 8.310 nan 0.000 0.493 151 P HA 0.209 nan 4.420 nan 0.000 0.277 151 P C -0.776 176.528 177.300 0.006 0.000 1.271 151 P CA -0.216 62.883 63.100 -0.003 0.000 0.795 151 P CB 0.319 32.016 31.700 -0.005 0.000 1.101 152 D N -1.921 118.462 120.400 -0.028 0.000 2.708 152 D HA -0.124 4.518 4.640 0.004 0.000 0.236 152 D C -0.141 176.157 176.300 -0.002 0.000 1.146 152 D CA 1.079 55.051 54.000 -0.048 0.000 0.662 152 D CB -0.876 39.946 40.800 0.037 0.000 1.059 152 D HN 0.385 nan 8.370 nan 0.000 0.428 153 Q N -0.414 119.375 119.800 -0.019 0.000 2.222 153 Q HA 0.471 4.813 4.340 0.004 0.000 0.252 153 Q C -0.079 175.934 176.000 0.022 0.000 0.926 153 Q CA -0.273 55.593 55.803 0.106 0.000 0.899 153 Q CB 0.910 29.736 28.738 0.147 0.000 1.250 153 Q HN 0.210 nan 8.270 nan 0.000 0.441 154 Y N -0.551 119.772 120.300 0.038 0.000 2.409 154 Y HA 0.544 5.096 4.550 0.003 0.000 0.339 154 Y C 1.162 177.072 175.900 0.017 0.000 1.033 154 Y CA 0.308 58.418 58.100 0.016 0.000 1.094 154 Y CB 1.615 40.053 38.460 -0.036 0.000 1.210 154 Y HN 0.863 nan 8.280 nan 0.000 0.456 155 G N 2.215 111.117 108.800 0.170 0.000 2.552 155 G HA2 -0.344 3.618 3.960 0.004 0.000 0.265 155 G HA3 -0.344 3.618 3.960 0.004 0.000 0.265 155 G C 0.072 175.018 174.900 0.075 0.000 1.234 155 G CA 0.381 45.545 45.100 0.106 0.000 0.944 155 G HN 0.884 nan 8.290 nan 0.000 0.568 156 D N 0.737 121.117 120.400 -0.032 0.000 2.358 156 D HA 0.356 4.998 4.640 0.004 0.000 0.224 156 D C 0.546 176.490 176.300 -0.593 0.000 1.123 156 D CA 0.534 54.413 54.000 -0.201 0.000 0.833 156 D CB -0.514 40.222 40.800 -0.106 0.000 0.946 156 D HN 0.953 nan 8.370 nan 0.000 0.505 157 N N -1.499 116.929 118.700 -0.453 0.000 2.484 157 N HA 0.273 5.015 4.740 0.004 0.000 0.269 157 N C -1.740 173.685 175.510 -0.141 0.000 1.237 157 N CA -1.002 51.777 53.050 -0.452 0.000 0.838 157 N CB 1.542 39.899 38.487 -0.218 0.000 1.593 157 N HN 0.047 nan 8.380 nan 0.000 0.485 158 C N 0.994 120.278 119.300 -0.026 0.000 2.319 158 C HA 0.409 4.871 4.460 0.004 0.000 0.335 158 C C 0.956 175.984 174.990 0.064 0.000 1.274 158 C CA -0.344 58.751 59.018 0.128 0.000 1.806 158 C CB -0.239 27.639 27.740 0.229 0.000 2.329 158 C HN 0.904 nan 8.230 nan 0.000 0.524 159 E N 2.873 123.113 120.200 0.068 0.000 2.476 159 E HA 0.014 4.366 4.350 0.004 0.000 0.191 159 E C 1.108 177.733 176.600 0.041 0.000 1.064 159 E CA 0.212 56.636 56.400 0.041 0.000 0.866 159 E CB 0.493 30.214 29.700 0.036 0.000 0.952 159 E HN 0.738 nan 8.360 nan 0.000 0.492 160 V N -0.035 119.911 119.914 0.054 0.000 2.635 160 V HA -0.130 3.992 4.120 0.004 0.000 0.233 160 V C 2.209 178.328 176.094 0.043 0.000 1.097 160 V CA 1.095 63.422 62.300 0.045 0.000 1.134 160 V CB 0.023 31.875 31.823 0.049 0.000 0.841 160 V HN 0.572 nan 8.190 nan 0.000 0.496 161 C N 0.697 120.030 119.300 0.056 0.000 2.696 161 C HA 0.556 5.018 4.460 0.004 0.000 0.264 161 C C 1.968 176.988 174.990 0.050 0.000 1.288 161 C CA -0.073 58.975 59.018 0.052 0.000 1.717 161 C CB -0.561 27.215 27.740 0.060 0.000 1.893 161 C HN 1.089 nan 8.230 nan 0.000 0.577 162 G N 0.770 109.599 108.800 0.049 0.000 2.162 162 G HA2 0.044 4.006 3.960 0.004 0.000 0.260 162 G HA3 0.044 4.006 3.960 0.004 0.000 0.260 162 G C 0.313 175.229 174.900 0.027 0.000 0.976 162 G CA 0.415 45.532 45.100 0.028 0.000 0.655 162 G HN 1.543 nan 8.290 nan 0.000 0.533 163 A N 0.165 123.030 122.820 0.075 0.000 2.445 163 A HA 0.700 5.022 4.320 0.004 0.000 0.242 163 A C 0.893 178.453 177.584 -0.041 0.000 1.075 163 A CA 1.271 53.371 52.037 0.105 0.000 0.777 163 A CB 0.311 19.457 19.000 0.244 0.000 1.013 163 A HN 1.785 nan 8.150 nan 0.000 0.493 164 T N -0.660 113.845 114.554 -0.082 0.000 2.912 164 T HA 0.795 5.147 4.350 0.004 0.000 0.288 164 T C -0.663 173.907 174.700 -0.217 0.000 1.030 164 T CA -0.349 61.555 62.100 -0.326 0.000 1.020 164 T CB 1.171 69.948 68.868 -0.152 0.000 1.056 164 T HN 1.479 nan 8.240 nan 0.000 0.480 165 Y N -2.004 118.312 120.300 0.027 0.000 2.851 165 Y HA 0.687 5.239 4.550 0.003 0.000 0.359 165 Y C -0.458 175.460 175.900 0.030 0.000 1.231 165 Y CA -1.507 56.609 58.100 0.026 0.000 1.106 165 Y CB 0.455 38.929 38.460 0.023 0.000 1.409 165 Y HN 0.768 nan 8.280 nan 0.000 0.454 166 S N 1.319 117.189 115.700 0.283 0.000 2.565 166 S HA 0.353 4.825 4.470 0.004 0.000 0.276 166 S C -1.905 172.859 174.600 0.274 0.000 1.326 166 S CA -1.151 57.167 58.200 0.197 0.000 1.045 166 S CB 0.756 64.033 63.200 0.129 0.000 0.918 166 S HN 0.543 nan 8.310 nan 0.000 0.505 167 P HA -0.097 nan 4.420 nan 0.000 0.220 167 P C 1.390 178.767 177.300 0.130 0.000 1.144 167 P CA 1.327 64.545 63.100 0.197 0.000 0.800 167 P CB -0.218 31.571 31.700 0.148 0.000 0.772 168 T N -3.713 110.907 114.554 0.109 0.000 3.051 168 T HA -0.081 4.271 4.350 0.004 0.000 0.269 168 T C 1.440 176.161 174.700 0.035 0.000 1.127 168 T CA 0.938 63.080 62.100 0.070 0.000 1.107 168 T CB -0.682 68.226 68.868 0.068 0.000 0.898 168 T HN 0.252 nan 8.240 nan 0.000 0.517 169 E N 0.417 120.635 120.200 0.030 0.000 2.442 169 E HA 0.254 4.606 4.350 0.004 0.000 0.195 169 E C 0.217 176.719 176.600 -0.162 0.000 1.030 169 E CA -0.284 56.080 56.400 -0.060 0.000 0.869 169 E CB 0.014 29.672 29.700 -0.069 0.000 0.857 169 E HN 0.531 nan 8.360 nan 0.000 0.505 170 L N 1.976 123.126 121.223 -0.121 0.000 2.514 170 L HA 0.050 4.392 4.340 0.004 0.000 0.280 170 L C 0.377 177.189 176.870 -0.098 0.000 1.223 170 L CA 0.141 54.897 54.840 -0.140 0.000 0.864 170 L CB 0.385 42.425 42.059 -0.032 0.000 1.118 170 L HN 0.026 nan 8.230 nan 0.000 0.494 171 I N 3.683 124.189 120.570 -0.107 0.000 2.395 171 I HA 0.057 4.230 4.170 0.004 0.000 0.289 171 I C 0.268 176.353 176.117 -0.053 0.000 1.023 171 I CA -0.369 60.888 61.300 -0.072 0.000 1.350 171 I CB 0.699 38.656 38.000 -0.073 0.000 1.409 171 I HN 0.654 nan 8.210 nan 0.000 0.507 172 E N 3.229 123.405 120.200 -0.038 0.000 2.240 172 E HA -0.171 4.181 4.350 0.004 0.000 0.194 172 E C -2.277 174.302 176.600 -0.035 0.000 1.385 172 E CA 0.056 56.437 56.400 -0.032 0.000 0.686 172 E CB -1.424 28.256 29.700 -0.032 0.000 1.125 172 E HN 0.391 nan 8.360 nan 0.000 0.359 173 P HA 0.087 nan 4.420 nan 0.000 0.269 173 P C -0.014 177.270 177.300 -0.028 0.000 1.209 173 P CA 0.410 63.495 63.100 -0.024 0.000 0.776 173 P CB 0.717 32.416 31.700 -0.002 0.000 0.876 174 K N 0.774 121.151 120.400 -0.038 0.000 2.525 174 K HA 0.329 4.651 4.320 0.004 0.000 0.254 174 K C -0.661 175.925 176.600 -0.024 0.000 0.934 174 K CA -0.660 55.605 56.287 -0.036 0.000 0.802 174 K CB 2.152 34.621 32.500 -0.052 0.000 1.295 174 K HN 0.289 nan 8.250 nan 0.000 0.433 175 S N 1.176 116.871 115.700 -0.009 0.000 2.531 175 S HA 0.093 4.565 4.470 0.004 0.000 0.279 175 S C 1.260 175.887 174.600 0.045 0.000 1.305 175 S CA -0.469 57.744 58.200 0.021 0.000 1.058 175 S CB 0.448 63.642 63.200 -0.011 0.000 0.899 175 S HN 0.324 nan 8.310 nan 0.000 0.493 176 V N 5.835 125.820 119.914 0.119 0.000 2.970 176 V HA -0.072 4.050 4.120 0.004 0.000 0.260 176 V C 2.021 178.219 176.094 0.172 0.000 1.100 176 V CA 1.280 63.680 62.300 0.167 0.000 1.122 176 V CB -0.390 31.607 31.823 0.289 0.000 0.721 176 V HN 0.821 nan 8.190 nan 0.000 0.483 177 V N 0.529 120.527 119.914 0.139 0.000 2.379 177 V HA -0.082 4.040 4.120 0.004 0.000 0.243 177 V C 2.250 178.354 176.094 0.017 0.000 1.035 177 V CA 2.076 64.416 62.300 0.067 0.000 1.035 177 V CB 0.038 31.853 31.823 -0.013 0.000 0.673 177 V HN 0.728 nan 8.190 nan 0.000 0.457 178 S N -1.636 114.061 115.700 -0.005 0.000 2.549 178 S HA 0.384 4.856 4.470 0.004 0.000 0.225 178 S C 1.593 176.183 174.600 -0.015 0.000 1.039 178 S CA 0.876 59.063 58.200 -0.021 0.000 0.942 178 S CB 1.232 64.402 63.200 -0.050 0.000 0.881 178 S HN 1.099 nan 8.310 nan 0.000 0.503 179 G N 1.420 110.215 108.800 -0.009 0.000 2.199 179 G HA2 -0.128 3.834 3.960 0.004 0.000 0.254 179 G HA3 -0.128 3.834 3.960 0.004 0.000 0.254 179 G C 0.418 175.305 174.900 -0.022 0.000 0.982 179 G CA 0.061 45.153 45.100 -0.013 0.000 0.632 179 G HN 1.304 nan 8.290 nan 0.000 0.529 180 A N -0.028 122.773 122.820 -0.031 0.000 2.346 180 A HA 0.655 4.978 4.320 0.004 0.000 0.252 180 A C 0.789 178.355 177.584 -0.031 0.000 1.089 180 A CA 1.106 53.122 52.037 -0.035 0.000 0.797 180 A CB 0.255 19.225 19.000 -0.051 0.000 1.047 180 A HN 0.787 nan 8.150 nan 0.000 0.494 181 T N 3.750 118.290 114.554 -0.024 0.000 2.761 181 T HA 0.438 4.790 4.350 0.004 0.000 0.296 181 T C -2.191 172.502 174.700 -0.012 0.000 0.934 181 T CA -0.453 61.638 62.100 -0.015 0.000 1.091 181 T CB 0.460 69.323 68.868 -0.009 0.000 0.896 181 T HN 0.571 nan 8.240 nan 0.000 0.515 182 P HA 0.396 nan 4.420 nan 0.000 0.274 182 P C -0.761 176.565 177.300 0.042 0.000 1.231 182 P CA -0.435 62.672 63.100 0.011 0.000 0.790 182 P CB 1.221 32.937 31.700 0.027 0.000 0.951 183 V N 3.323 123.282 119.914 0.076 0.000 2.962 183 V HA 0.393 4.515 4.120 0.004 0.000 0.313 183 V C -0.155 176.011 176.094 0.119 0.000 1.099 183 V CA -1.261 61.091 62.300 0.085 0.000 0.971 183 V CB 2.189 34.059 31.823 0.077 0.000 1.028 183 V HN 0.393 nan 8.190 nan 0.000 0.430 184 M N 5.070 124.729 119.600 0.098 0.000 2.228 184 M HA 0.436 4.918 4.480 0.004 0.000 0.351 184 M C -0.170 176.192 176.300 0.103 0.000 1.233 184 M CA 0.514 55.884 55.300 0.118 0.000 1.129 184 M CB 0.331 32.983 32.600 0.087 0.000 1.604 184 M HN 0.690 nan 8.290 nan 0.000 0.457 185 R N 1.485 122.083 120.500 0.164 0.000 2.651 185 R HA 0.359 4.701 4.340 0.004 0.000 0.278 185 R C -1.445 175.005 176.300 0.249 0.000 1.010 185 R CA -0.678 55.485 56.100 0.105 0.000 0.896 185 R CB 1.837 32.023 30.300 -0.190 0.000 1.211 185 R HN 0.563 nan 8.270 nan 0.000 0.456 186 D N 0.586 121.071 120.400 0.141 0.000 2.329 186 D HA 0.373 5.015 4.640 0.004 0.000 0.246 186 D C -0.808 175.583 176.300 0.152 0.000 1.111 186 D CA 0.259 54.329 54.000 0.116 0.000 0.941 186 D CB 1.755 42.590 40.800 0.060 0.000 1.169 186 D HN 0.371 nan 8.370 nan 0.000 0.441 187 S N -0.115 115.622 115.700 0.062 0.000 2.560 187 S HA 0.123 4.595 4.470 0.004 0.000 0.283 187 S C -1.349 173.289 174.600 0.064 0.000 1.141 187 S CA -0.827 57.388 58.200 0.026 0.000 0.902 187 S CB 1.002 64.107 63.200 -0.159 0.000 1.104 187 S HN 0.396 nan 8.310 nan 0.000 0.454 188 E N 3.320 123.519 120.200 -0.001 0.000 2.316 188 E HA 0.280 4.632 4.350 0.004 0.000 0.275 188 E C -0.720 175.778 176.600 -0.171 0.000 1.029 188 E CA -0.161 56.248 56.400 0.015 0.000 0.871 188 E CB 0.473 30.190 29.700 0.028 0.000 1.022 188 E HN 0.661 nan 8.360 nan 0.000 0.418 189 H N 3.587 122.572 119.070 -0.143 0.000 2.797 189 H HA 0.313 4.872 4.556 0.005 0.000 0.372 189 H C -0.819 174.487 175.328 -0.038 0.000 1.168 189 H CA -0.773 55.065 56.048 -0.351 0.000 1.163 189 H CB 1.299 30.867 29.762 -0.324 0.000 1.778 189 H HN 0.468 nan 8.280 nan 0.000 0.551 190 F N 1.661 121.583 119.950 -0.048 0.000 2.436 190 F HA 0.339 4.870 4.527 0.006 0.000 0.340 190 F C -0.554 175.204 175.800 -0.070 0.000 1.113 190 F CA -0.855 57.204 58.000 0.097 0.000 1.022 190 F CB 1.103 40.162 39.000 0.097 0.000 1.128 190 F HN 0.228 nan 8.300 nan 0.000 0.466 191 F N 2.556 122.715 119.950 0.347 0.000 2.520 191 F HA 0.360 4.890 4.527 0.004 0.000 0.322 191 F C -0.427 175.587 175.800 0.356 0.000 1.103 191 F CA -1.268 56.895 58.000 0.271 0.000 0.926 191 F CB 1.497 40.622 39.000 0.209 0.000 1.154 191 F HN 0.235 nan 8.300 nan 0.000 0.453 192 F N 2.676 122.852 119.950 0.377 0.000 2.410 192 F HA 0.298 4.829 4.527 0.006 0.000 0.348 192 F C 0.508 176.579 175.800 0.451 0.000 1.106 192 F CA -1.168 57.069 58.000 0.394 0.000 1.163 192 F CB 0.652 39.877 39.000 0.375 0.000 1.129 192 F HN 0.423 nan 8.300 nan 0.000 0.516 193 D N 6.231 126.515 120.400 -0.193 0.000 2.688 193 D HA 0.007 4.649 4.640 0.004 0.000 0.228 193 D C 1.324 177.406 176.300 -0.363 0.000 1.116 193 D CA 0.102 54.021 54.000 -0.134 0.000 1.023 193 D CB -0.217 40.650 40.800 0.111 0.000 1.100 193 D HN 0.669 nan 8.370 nan 0.000 0.487 194 L N 3.662 124.678 121.223 -0.345 0.000 2.043 194 L HA -0.028 4.314 4.340 0.004 0.000 0.212 194 L C -0.994 175.981 176.870 0.174 0.000 1.075 194 L CA 1.874 56.699 54.840 -0.025 0.000 0.752 194 L CB -1.081 41.187 42.059 0.349 0.000 0.891 194 L HN 0.214 nan 8.230 nan 0.000 0.432 195 P HA -0.132 nan 4.420 nan 0.000 0.218 195 P C 1.746 179.084 177.300 0.064 0.000 1.146 195 P CA 1.650 64.820 63.100 0.116 0.000 0.813 195 P CB -0.069 31.686 31.700 0.093 0.000 0.778 196 S N -1.738 113.964 115.700 0.004 0.000 2.442 196 S HA -0.064 4.408 4.470 0.004 0.000 0.236 196 S C 0.953 175.347 174.600 -0.342 0.000 1.007 196 S CA 0.997 59.094 58.200 -0.171 0.000 0.965 196 S CB -0.835 62.233 63.200 -0.221 0.000 0.773 196 S HN 0.183 nan 8.310 nan 0.000 0.504 197 F N 0.807 120.727 119.950 -0.050 0.000 2.660 197 F HA 0.322 4.850 4.527 0.002 0.000 0.302 197 F C 2.044 177.842 175.800 -0.003 0.000 1.103 197 F CA -0.377 57.599 58.000 -0.041 0.000 1.340 197 F CB -0.529 38.436 39.000 -0.058 0.000 1.048 197 F HN 0.086 nan 8.300 nan 0.000 0.551 198 S N 0.900 116.671 115.700 0.118 0.000 2.369 198 S HA -0.268 4.204 4.470 0.004 0.000 0.225 198 S C 2.107 176.665 174.600 -0.070 0.000 1.043 198 S CA 2.220 60.448 58.200 0.048 0.000 1.074 198 S CB -0.158 63.047 63.200 0.009 0.000 0.962 198 S HN 0.534 nan 8.310 nan 0.000 0.433 199 E N 0.190 120.352 120.200 -0.064 0.000 2.077 199 E HA -0.163 4.190 4.350 0.004 0.000 0.193 199 E C 2.216 178.798 176.600 -0.030 0.000 0.989 199 E CA 1.292 57.643 56.400 -0.080 0.000 0.800 199 E CB -0.247 29.419 29.700 -0.056 0.000 0.746 199 E HN 0.487 nan 8.360 nan 0.000 0.452 200 M N 0.906 120.523 119.600 0.029 0.000 2.086 200 M HA -0.166 4.316 4.480 0.004 0.000 0.261 200 M C 2.065 178.436 176.300 0.118 0.000 1.067 200 M CA 1.583 56.927 55.300 0.074 0.000 1.116 200 M CB -0.358 32.312 32.600 0.117 0.000 1.348 200 M HN 0.135 nan 8.290 nan 0.000 0.407 201 L N -0.246 121.064 121.223 0.145 0.000 2.093 201 L HA -0.223 4.119 4.340 0.004 0.000 0.208 201 L C 2.529 179.574 176.870 0.290 0.000 1.085 201 L CA 1.144 56.151 54.840 0.278 0.000 0.755 201 L CB -0.634 41.648 42.059 0.372 0.000 0.904 201 L HN 0.385 nan 8.230 nan 0.000 0.435 202 Q N -0.309 119.440 119.800 -0.084 0.000 2.124 202 Q HA -0.184 4.158 4.340 0.004 0.000 0.202 202 Q C 2.449 178.449 176.000 -0.001 0.000 0.977 202 Q CA 1.568 57.209 55.803 -0.270 0.000 0.850 202 Q CB -0.218 28.207 28.738 -0.521 0.000 0.901 202 Q HN 0.571 nan 8.270 nan 0.000 0.429 203 A N -0.039 122.807 122.820 0.043 0.000 1.898 203 A HA -0.194 4.128 4.320 0.004 0.000 0.216 203 A C 1.666 179.345 177.584 0.159 0.000 1.181 203 A CA 1.067 53.150 52.037 0.075 0.000 0.620 203 A CB -0.964 18.078 19.000 0.071 0.000 0.819 203 A HN 0.599 nan 8.150 nan 0.000 0.442 204 W N 1.327 122.640 121.300 0.021 0.000 2.342 204 W HA -0.141 4.524 4.660 0.008 0.000 0.297 204 W C 2.288 178.832 176.519 0.042 0.000 1.213 204 W CA 2.285 59.648 57.345 0.030 0.000 1.251 204 W CB -0.642 28.845 29.460 0.045 0.000 1.136 204 W HN 0.299 nan 8.180 nan 0.000 0.526 205 T N 0.594 115.261 114.554 0.189 0.000 2.777 205 T HA -0.215 4.137 4.350 0.004 0.000 0.266 205 T C 1.636 176.318 174.700 -0.031 0.000 1.040 205 T CA 1.870 64.007 62.100 0.063 0.000 1.141 205 T CB -0.322 68.710 68.868 0.275 0.000 0.868 205 T HN 0.339 nan 8.240 nan 0.000 0.444 206 R N 1.663 122.165 120.500 0.003 0.000 2.320 206 R HA 0.198 4.540 4.340 0.004 0.000 0.211 206 R C 2.090 178.360 176.300 -0.050 0.000 0.931 206 R CA 0.753 56.837 56.100 -0.026 0.000 1.071 206 R CB -0.366 29.928 30.300 -0.011 0.000 1.025 206 R HN 0.371 nan 8.270 nan 0.000 0.495 207 S N 0.018 115.673 115.700 -0.075 0.000 2.447 207 S HA 0.052 4.524 4.470 0.004 0.000 0.233 207 S C 1.623 176.166 174.600 -0.095 0.000 1.006 207 S CA 0.532 58.686 58.200 -0.077 0.000 0.957 207 S CB -0.144 63.001 63.200 -0.092 0.000 0.773 207 S HN 0.649 nan 8.310 nan 0.000 0.507 208 G N 0.276 109.001 108.800 -0.124 0.000 2.157 208 G HA2 -0.158 3.804 3.960 0.004 0.000 0.239 208 G HA3 -0.158 3.804 3.960 0.004 0.000 0.239 208 G C 0.840 175.661 174.900 -0.132 0.000 0.982 208 G CA 0.287 45.320 45.100 -0.112 0.000 0.650 208 G HN 1.101 nan 8.290 nan 0.000 0.527 209 A N -0.183 122.521 122.820 -0.192 0.000 1.855 209 A HA 0.616 4.938 4.320 0.004 0.000 0.213 209 A C 1.510 178.965 177.584 -0.215 0.000 1.195 209 A CA 1.094 53.013 52.037 -0.197 0.000 0.610 209 A CB -0.151 18.684 19.000 -0.276 0.000 0.837 209 A HN 0.750 nan 8.150 nan 0.000 0.444 210 L N 0.617 121.645 121.223 -0.324 0.000 2.482 210 L HA 0.050 4.392 4.340 0.004 0.000 0.273 210 L C 0.394 177.156 176.870 -0.180 0.000 1.228 210 L CA -0.373 54.297 54.840 -0.283 0.000 0.827 210 L CB 0.174 42.021 42.059 -0.354 0.000 1.099 210 L HN 0.468 nan 8.230 nan 0.000 0.494 211 Q N 0.857 120.568 119.800 -0.147 0.000 2.361 211 Q HA -0.080 4.262 4.340 0.004 0.000 0.276 211 Q C 0.954 176.872 176.000 -0.136 0.000 1.022 211 Q CA 0.206 55.933 55.803 -0.128 0.000 0.898 211 Q CB 0.761 29.426 28.738 -0.121 0.000 1.246 211 Q HN 0.521 nan 8.270 nan 0.000 0.410 212 E N 2.230 122.356 120.200 -0.123 0.000 2.070 212 E HA -0.338 4.014 4.350 0.004 0.000 0.197 212 E C 1.261 177.781 176.600 -0.133 0.000 1.004 212 E CA 1.811 58.140 56.400 -0.118 0.000 0.805 212 E CB 0.197 29.836 29.700 -0.103 0.000 0.744 212 E HN 0.627 nan 8.360 nan 0.000 0.451 213 Q N -0.277 119.441 119.800 -0.137 0.000 2.170 213 Q HA -0.133 4.209 4.340 0.004 0.000 0.203 213 Q C 2.309 178.195 176.000 -0.191 0.000 0.976 213 Q CA 1.504 57.214 55.803 -0.155 0.000 0.858 213 Q CB 0.130 28.780 28.738 -0.146 0.000 0.907 213 Q HN 0.228 nan 8.270 nan 0.000 0.433 214 V N 0.792 120.598 119.914 -0.179 0.000 2.379 214 V HA -0.234 3.888 4.120 0.004 0.000 0.245 214 V C 2.261 178.219 176.094 -0.227 0.000 1.044 214 V CA 1.693 63.876 62.300 -0.195 0.000 1.036 214 V CB -0.938 30.798 31.823 -0.144 0.000 0.664 214 V HN 0.386 nan 8.190 nan 0.000 0.453 215 A N 0.445 123.155 122.820 -0.184 0.000 1.908 215 A HA -0.287 4.035 4.320 0.004 0.000 0.218 215 A C 2.046 179.521 177.584 -0.181 0.000 1.181 215 A CA 2.365 54.309 52.037 -0.155 0.000 0.627 215 A CB -0.901 18.026 19.000 -0.121 0.000 0.818 215 A HN 0.699 nan 8.150 nan 0.000 0.445 216 N N -0.630 117.953 118.700 -0.196 0.000 2.069 216 N HA -0.165 4.578 4.740 0.004 0.000 0.191 216 N C 1.785 177.096 175.510 -0.332 0.000 1.031 216 N CA 1.204 54.129 53.050 -0.208 0.000 0.852 216 N CB -0.113 38.266 38.487 -0.180 0.000 1.018 216 N HN 0.200 nan 8.380 nan 0.000 0.423 217 K N 1.191 121.313 120.400 -0.463 0.000 2.063 217 K HA -0.062 4.260 4.320 0.004 0.000 0.208 217 K C 1.948 177.852 176.600 -1.159 0.000 1.048 217 K CA 1.181 56.973 56.287 -0.824 0.000 0.928 217 K CB -0.269 31.685 32.500 -0.909 0.000 0.713 217 K HN 0.309 nan 8.250 nan 0.000 0.442 218 M N 0.614 119.734 119.600 -0.800 0.000 2.159 218 M HA -0.186 4.296 4.480 0.004 0.000 0.263 218 M C 2.015 177.980 176.300 -0.558 0.000 1.063 218 M CA 1.391 56.305 55.300 -0.643 0.000 1.110 218 M CB -0.229 32.161 32.600 -0.350 0.000 1.374 218 M HN 0.021 nan 8.290 nan 0.000 0.411 219 Q N 0.559 120.211 119.800 -0.247 0.000 2.124 219 Q HA -0.156 4.186 4.340 0.004 0.000 0.202 219 Q C 1.731 177.695 176.000 -0.060 0.000 0.977 219 Q CA 1.484 57.295 55.803 0.015 0.000 0.850 219 Q CB -0.394 28.348 28.738 0.006 0.000 0.901 219 Q HN 0.638 nan 8.270 nan 0.000 0.429 220 E N -0.646 119.404 120.200 -0.250 0.000 2.077 220 E HA -0.173 4.179 4.350 0.004 0.000 0.193 220 E C 1.816 178.385 176.600 -0.052 0.000 0.989 220 E CA 0.774 57.056 56.400 -0.197 0.000 0.800 220 E CB -0.059 29.431 29.700 -0.350 0.000 0.746 220 E HN 0.427 nan 8.360 nan 0.000 0.452 221 W N 0.079 121.281 121.300 -0.162 0.000 2.388 221 W HA -0.044 4.619 4.660 0.005 0.000 0.294 221 W C 1.921 178.378 176.519 -0.103 0.000 1.212 221 W CA 0.559 57.806 57.345 -0.163 0.000 1.271 221 W CB -1.071 28.193 29.460 -0.327 0.000 1.126 221 W HN 0.102 nan 8.180 nan 0.000 0.535 222 F N 0.744 120.802 119.950 0.179 0.000 2.186 222 F HA -0.212 4.316 4.527 0.002 0.000 0.299 222 F C 2.430 178.281 175.800 0.084 0.000 1.090 222 F CA 1.383 59.446 58.000 0.104 0.000 1.307 222 F CB -0.560 38.475 39.000 0.059 0.000 1.019 222 F HN -0.148 nan 8.300 nan 0.000 0.489 223 E N 0.672 121.020 120.200 0.247 0.000 2.077 223 E HA -0.166 4.186 4.350 0.004 0.000 0.193 223 E C 2.059 178.739 176.600 0.132 0.000 0.989 223 E CA 1.844 58.332 56.400 0.148 0.000 0.800 223 E CB -0.399 29.355 29.700 0.090 0.000 0.746 223 E HN 0.098 nan 8.360 nan 0.000 0.452 224 S N -0.659 115.131 115.700 0.149 0.000 2.419 224 S HA 0.144 4.616 4.470 0.004 0.000 0.233 224 S C 0.681 175.361 174.600 0.134 0.000 1.016 224 S CA 0.847 59.128 58.200 0.135 0.000 0.974 224 S CB -0.417 62.882 63.200 0.164 0.000 0.786 224 S HN 0.649 nan 8.310 nan 0.000 0.492 225 G N 1.005 109.908 108.800 0.171 0.000 3.225 225 G HA2 -0.116 3.846 3.960 0.004 0.000 0.686 225 G HA3 -0.116 3.846 3.960 0.004 0.000 0.686 225 G C -0.759 174.243 174.900 0.171 0.000 1.105 225 G CA -0.967 44.230 45.100 0.162 0.000 0.831 225 G HN 0.290 nan 8.290 nan 0.000 0.578 226 L N 2.475 123.817 121.223 0.197 0.000 2.417 226 L HA 0.475 4.817 4.340 0.004 0.000 0.268 226 L C 0.722 177.698 176.870 0.175 0.000 1.158 226 L CA -0.526 54.433 54.840 0.198 0.000 0.819 226 L CB 0.885 43.076 42.059 0.220 0.000 1.112 226 L HN 0.563 nan 8.230 nan 0.000 0.458 227 Q N 1.609 121.531 119.800 0.204 0.000 2.445 227 Q HA 0.398 4.740 4.340 0.004 0.000 0.281 227 Q C -0.984 175.182 176.000 0.276 0.000 1.101 227 Q CA -0.858 55.062 55.803 0.195 0.000 0.833 227 Q CB 2.090 30.930 28.738 0.170 0.000 1.416 227 Q HN 0.517 nan 8.270 nan 0.000 0.451 228 Q N 0.249 120.200 119.800 0.252 0.000 2.421 228 Q HA 0.101 4.443 4.340 0.004 0.000 0.255 228 Q C -0.871 175.469 176.000 0.568 0.000 1.013 228 Q CA 0.166 56.179 55.803 0.350 0.000 0.895 228 Q CB 0.699 29.588 28.738 0.253 0.000 1.271 228 Q HN 0.431 nan 8.270 nan 0.000 0.460 229 W N 3.247 124.762 121.300 0.358 0.000 2.417 229 W HA 0.167 4.830 4.660 0.005 0.000 0.315 229 W C -0.958 175.628 176.519 0.112 0.000 1.045 229 W CA -1.258 56.204 57.345 0.195 0.000 1.221 229 W CB 0.908 30.273 29.460 -0.158 0.000 1.309 229 W HN 0.478 nan 8.180 nan 0.000 0.453 230 D N 6.264 126.562 120.400 -0.170 0.000 2.346 230 D HA 0.010 4.652 4.640 0.004 0.000 0.260 230 D C 0.873 176.675 176.300 -0.830 0.000 1.252 230 D CA 0.238 53.717 54.000 -0.867 0.000 0.895 230 D CB 0.348 40.727 40.800 -0.701 0.000 1.097 230 D HN 0.566 nan 8.370 nan 0.000 0.489 231 I N 0.965 121.137 120.570 -0.664 0.000 3.927 231 I HA 0.220 4.392 4.170 0.004 0.000 0.332 231 I C -0.044 175.947 176.117 -0.209 0.000 1.485 231 I CA -0.594 60.390 61.300 -0.527 0.000 1.131 231 I CB 0.099 37.820 38.000 -0.465 0.000 1.092 231 I HN 0.118 nan 8.210 nan 0.000 0.410 232 S N 0.915 116.423 115.700 -0.320 0.000 2.566 232 S HA 0.746 5.218 4.470 0.004 0.000 0.298 232 S C -0.429 173.870 174.600 -0.502 0.000 1.083 232 S CA -0.798 57.154 58.200 -0.413 0.000 0.978 232 S CB 2.598 65.383 63.200 -0.692 0.000 1.073 232 S HN 0.230 nan 8.310 nan 0.000 0.491 233 R N 1.280 121.448 120.500 -0.552 0.000 2.673 233 R HA 0.485 4.827 4.340 0.004 0.000 0.281 233 R C -1.301 174.722 176.300 -0.462 0.000 0.991 233 R CA -0.542 55.232 56.100 -0.544 0.000 0.896 233 R CB 1.569 31.404 30.300 -0.775 0.000 1.201 233 R HN 0.793 nan 8.270 nan 0.000 0.457 234 D N 0.814 121.044 120.400 -0.284 0.000 2.329 234 D HA 0.331 4.973 4.640 0.004 0.000 0.246 234 D C 0.003 176.334 176.300 0.052 0.000 1.111 234 D CA -0.137 53.819 54.000 -0.073 0.000 0.941 234 D CB 1.606 42.468 40.800 0.102 0.000 1.169 234 D HN 0.480 nan 8.370 nan 0.000 0.441 235 A N 2.123 125.027 122.820 0.140 0.000 2.386 235 A HA 0.351 4.673 4.320 0.004 0.000 0.248 235 A C -2.048 175.604 177.584 0.114 0.000 1.082 235 A CA -0.907 51.197 52.037 0.112 0.000 0.789 235 A CB -0.121 19.022 19.000 0.239 0.000 1.025 235 A HN 0.366 nan 8.150 nan 0.000 0.490 236 P HA 0.345 nan 4.420 nan 0.000 0.276 236 P C -1.351 175.919 177.300 -0.050 0.000 1.230 236 P CA 0.443 63.532 63.100 -0.018 0.000 0.776 236 P CB 0.549 32.231 31.700 -0.031 0.000 0.888 237 Y N 2.094 122.122 120.300 -0.454 0.000 2.592 237 Y HA 0.463 5.014 4.550 0.002 0.000 0.334 237 Y C -1.760 173.830 175.900 -0.517 0.000 1.136 237 Y CA -1.266 56.515 58.100 -0.532 0.000 1.042 237 Y CB 1.794 39.795 38.460 -0.765 0.000 1.325 237 Y HN 0.233 nan 8.280 nan 0.000 0.457 238 F N 4.373 123.859 119.950 -0.775 0.000 2.293 238 F HA 0.760 5.293 4.527 0.011 0.000 0.370 238 F C -0.070 175.356 175.800 -0.624 0.000 1.090 238 F CA 0.024 57.687 58.000 -0.561 0.000 1.133 238 F CB 0.374 39.083 39.000 -0.484 0.000 1.360 238 F HN 0.623 nan 8.300 nan 0.000 0.489 239 G N 4.099 112.413 108.800 -0.810 0.000 2.435 239 G HA2 0.224 4.186 3.960 0.004 0.000 0.296 239 G HA3 0.224 4.186 3.960 0.004 0.000 0.296 239 G C -1.726 173.005 174.900 -0.282 0.000 1.240 239 G CA -0.919 43.545 45.100 -1.061 0.000 0.872 239 G HN 0.264 nan 8.290 nan 0.000 0.480 240 F N 1.780 121.718 119.950 -0.021 0.000 2.411 240 F HA 0.375 4.924 4.527 0.037 0.000 0.350 240 F C 0.860 176.576 175.800 -0.140 0.000 1.114 240 F CA -0.607 57.436 58.000 0.071 0.000 1.135 240 F CB 1.294 40.455 39.000 0.268 0.000 1.120 240 F HN 0.237 nan 8.300 nan 0.000 0.495 241 E N 3.648 123.725 120.200 -0.205 0.000 2.392 241 E HA 0.172 4.524 4.350 0.004 0.000 0.264 241 E C -0.340 175.874 176.600 -0.643 0.000 1.024 241 E CA -0.227 55.732 56.400 -0.734 0.000 0.903 241 E CB 1.178 30.526 29.700 -0.585 0.000 0.963 241 E HN 0.462 nan 8.360 nan 0.000 0.432 242 I N 4.632 124.700 120.570 -0.837 0.000 2.441 242 I HA 0.134 4.306 4.170 0.004 0.000 0.287 242 I C -2.057 173.816 176.117 -0.406 0.000 1.049 242 I CA -2.236 58.509 61.300 -0.926 0.000 1.381 242 I CB 0.616 38.075 38.000 -0.902 0.000 1.409 242 I HN 0.186 nan 8.210 nan 0.000 0.523 243 P HA 0.018 nan 4.420 nan 0.000 0.264 243 P C -0.225 177.056 177.300 -0.032 0.000 1.183 243 P CA 0.471 63.538 63.100 -0.055 0.000 0.763 243 P CB 0.156 31.903 31.700 0.078 0.000 0.807 244 N N 0.322 119.001 118.700 -0.035 0.000 2.778 244 N HA -0.228 4.514 4.740 0.004 0.000 0.249 244 N C -0.262 175.242 175.510 -0.011 0.000 1.069 244 N CA 0.815 53.854 53.050 -0.018 0.000 0.831 244 N CB -1.443 37.045 38.487 0.001 0.000 1.142 244 N HN 0.495 nan 8.380 nan 0.000 0.573 245 A N -0.219 122.580 122.820 -0.035 0.000 3.159 245 A HA 0.502 4.824 4.320 0.004 0.000 0.330 245 A C -2.572 174.964 177.584 -0.078 0.000 1.032 245 A CA -1.109 50.940 52.037 0.021 0.000 0.841 245 A CB 0.628 19.749 19.000 0.202 0.000 1.093 245 A HN -0.072 nan 8.150 nan 0.000 0.478 246 P HA 0.226 nan 4.420 nan 0.000 0.263 246 P C 1.245 178.490 177.300 -0.090 0.000 1.175 246 P CA 2.197 65.244 63.100 -0.089 0.000 0.761 246 P CB 0.699 32.373 31.700 -0.043 0.000 0.794 247 G N 1.181 109.919 108.800 -0.104 0.000 2.184 247 G HA2 -0.218 3.744 3.960 0.004 0.000 0.264 247 G HA3 -0.218 3.744 3.960 0.004 0.000 0.264 247 G C 0.002 174.872 174.900 -0.051 0.000 0.975 247 G CA -0.021 45.066 45.100 -0.022 0.000 0.642 247 G HN 0.512 nan 8.290 nan 0.000 0.536 248 K N -0.237 120.025 120.400 -0.229 0.000 2.221 248 K HA 0.713 5.035 4.320 0.004 0.000 0.258 248 K C -0.943 175.366 176.600 -0.484 0.000 0.944 248 K CA -0.661 55.439 56.287 -0.311 0.000 0.823 248 K CB 1.750 34.013 32.500 -0.396 0.000 1.113 248 K HN 0.184 nan 8.250 nan 0.000 0.431 249 Y N 0.257 120.267 120.300 -0.483 0.000 2.570 249 Y HA 0.412 4.969 4.550 0.011 0.000 0.345 249 Y C 0.090 175.682 175.900 -0.513 0.000 1.014 249 Y CA -1.095 56.711 58.100 -0.490 0.000 1.063 249 Y CB 1.173 39.392 38.460 -0.401 0.000 1.272 249 Y HN 0.373 nan 8.280 nan 0.000 0.477 250 F N 1.804 121.716 119.950 -0.064 0.000 2.456 250 F HA 0.099 4.615 4.527 -0.018 0.000 0.358 250 F C 0.194 175.958 175.800 -0.061 0.000 1.095 250 F CA -0.491 57.457 58.000 -0.087 0.000 1.216 250 F CB 0.246 39.246 39.000 -0.001 0.000 1.125 250 F HN 0.412 nan 8.300 nan 0.000 0.549 251 Y N 3.862 124.134 120.300 -0.046 0.000 2.597 251 Y HA -0.007 4.545 4.550 0.002 0.000 0.336 251 Y C 1.161 177.135 175.900 0.124 0.000 1.216 251 Y CA -0.150 57.926 58.100 -0.040 0.000 1.463 251 Y CB 0.610 38.994 38.460 -0.127 0.000 1.303 251 Y HN 0.474 nan 8.280 nan 0.000 0.576 252 V N 7.020 126.808 119.914 -0.211 0.000 2.317 252 V HA -0.336 3.786 4.120 0.004 0.000 0.251 252 V C 1.597 177.390 176.094 -0.502 0.000 1.065 252 V CA 2.498 64.606 62.300 -0.319 0.000 1.049 252 V CB -0.762 30.874 31.823 -0.311 0.000 0.651 252 V HN 0.958 nan 8.190 nan 0.000 0.450 253 W N -0.914 119.911 121.300 -0.792 0.000 2.611 253 W HA -0.004 4.657 4.660 0.002 0.000 0.251 253 W C 2.187 178.731 176.519 0.041 0.000 1.265 253 W CA 0.666 57.813 57.345 -0.329 0.000 1.295 253 W CB 0.084 29.502 29.460 -0.070 0.000 1.129 253 W HN 0.240 nan 8.180 nan 0.000 0.630 254 L N 1.013 122.301 121.223 0.109 0.000 2.127 254 L HA -0.104 4.238 4.340 0.004 0.000 0.203 254 L C 1.764 178.626 176.870 -0.013 0.000 1.080 254 L CA 2.581 57.456 54.840 0.059 0.000 0.768 254 L CB -1.218 40.747 42.059 -0.155 0.000 0.924 254 L HN 0.080 nan 8.230 nan 0.000 0.444 255 D N -0.299 120.062 120.400 -0.065 0.000 2.289 255 D HA -0.043 4.599 4.640 0.004 0.000 0.207 255 D C 1.909 178.085 176.300 -0.207 0.000 0.966 255 D CA 0.971 54.930 54.000 -0.068 0.000 0.868 255 D CB -0.006 40.850 40.800 0.094 0.000 0.943 255 D HN 0.238 nan 8.370 nan 0.000 0.514 256 A N 1.910 124.531 122.820 -0.332 0.000 1.859 256 A HA -0.098 4.224 4.320 0.004 0.000 0.217 256 A C 0.239 177.425 177.584 -0.663 0.000 1.198 256 A CA 1.990 53.705 52.037 -0.536 0.000 0.629 256 A CB -1.801 16.715 19.000 -0.807 0.000 0.830 256 A HN 0.370 nan 8.150 nan 0.000 0.446 257 P HA -0.080 nan 4.420 nan 0.000 0.221 257 P C 1.390 178.128 177.300 -0.938 0.000 1.150 257 P CA 0.927 63.303 63.100 -1.208 0.000 0.800 257 P CB -0.218 30.598 31.700 -1.473 0.000 0.787 258 I N -0.112 120.191 120.570 -0.445 0.000 2.700 258 I HA -0.109 4.063 4.170 0.004 0.000 0.261 258 I C 2.535 178.554 176.117 -0.163 0.000 1.219 258 I CA 1.246 62.470 61.300 -0.127 0.000 1.463 258 I CB -1.072 36.899 38.000 -0.049 0.000 1.092 258 I HN -0.007 nan 8.210 nan 0.000 0.452 259 G N 0.240 108.863 108.800 -0.295 0.000 2.448 259 G HA2 -0.245 3.717 3.960 0.004 0.000 0.219 259 G HA3 -0.245 3.717 3.960 0.004 0.000 0.219 259 G C 1.458 176.301 174.900 -0.095 0.000 1.127 259 G CA 0.486 45.452 45.100 -0.223 0.000 0.766 259 G HN 0.378 nan 8.290 nan 0.000 0.552 260 Y N 0.198 120.472 120.300 -0.045 0.000 2.145 260 Y HA -0.112 4.439 4.550 0.003 0.000 0.286 260 Y C 3.111 179.119 175.900 0.180 0.000 1.145 260 Y CA 1.138 59.315 58.100 0.129 0.000 1.148 260 Y CB -0.187 38.444 38.460 0.283 0.000 0.981 260 Y HN 0.126 nan 8.280 nan 0.000 0.507 261 M N -0.465 119.202 119.600 0.112 0.000 2.099 261 M HA -0.130 4.352 4.480 0.004 0.000 0.262 261 M C 2.582 178.959 176.300 0.130 0.000 1.067 261 M CA 1.710 56.906 55.300 -0.174 0.000 1.124 261 M CB -0.855 31.382 32.600 -0.605 0.000 1.353 261 M HN 0.367 nan 8.290 nan 0.000 0.410 262 G N -0.525 108.305 108.800 0.049 0.000 2.440 262 G HA2 -0.255 3.708 3.960 0.004 0.000 0.218 262 G HA3 -0.255 3.708 3.960 0.004 0.000 0.218 262 G C 1.643 176.615 174.900 0.119 0.000 1.154 262 G CA 1.358 46.493 45.100 0.058 0.000 0.767 262 G HN 0.459 nan 8.290 nan 0.000 0.552 263 S N -0.589 115.222 115.700 0.184 0.000 2.382 263 S HA -0.085 4.387 4.470 0.004 0.000 0.228 263 S C 2.036 176.739 174.600 0.172 0.000 1.027 263 S CA 1.271 59.563 58.200 0.154 0.000 0.991 263 S CB -0.362 62.949 63.200 0.184 0.000 0.823 263 S HN 0.318 nan 8.310 nan 0.000 0.469 264 F N 2.232 122.287 119.950 0.176 0.000 2.206 264 F HA 0.171 4.698 4.527 0.001 0.000 0.298 264 F C 2.169 178.107 175.800 0.230 0.000 1.090 264 F CA 1.592 59.735 58.000 0.239 0.000 1.323 264 F CB -0.462 38.796 39.000 0.430 0.000 1.028 264 F HN 0.152 nan 8.300 nan 0.000 0.492 265 K N 0.242 120.760 120.400 0.196 0.000 2.057 265 K HA -0.270 4.052 4.320 0.004 0.000 0.207 265 K C 2.045 178.519 176.600 -0.210 0.000 1.049 265 K CA 1.742 57.949 56.287 -0.133 0.000 0.931 265 K CB -0.421 31.806 32.500 -0.455 0.000 0.714 265 K HN 0.303 nan 8.250 nan 0.000 0.440 266 N N 0.553 119.122 118.700 -0.219 0.000 2.104 266 N HA -0.208 4.534 4.740 0.004 0.000 0.190 266 N C 1.766 177.129 175.510 -0.245 0.000 1.024 266 N CA 1.262 54.120 53.050 -0.321 0.000 0.853 266 N CB -0.199 37.844 38.487 -0.741 0.000 1.008 266 N HN 0.199 nan 8.380 nan 0.000 0.424 267 L N 0.285 121.380 121.223 -0.213 0.000 2.017 267 L HA -0.099 4.243 4.340 0.004 0.000 0.208 267 L C 2.126 178.870 176.870 -0.210 0.000 1.073 267 L CA 1.584 56.322 54.840 -0.169 0.000 0.745 267 L CB -1.060 40.929 42.059 -0.117 0.000 0.894 267 L HN 0.338 nan 8.230 nan 0.000 0.432 268 C N -0.035 119.066 119.300 -0.330 0.000 2.432 268 C HA -0.141 4.321 4.460 0.004 0.000 0.277 268 C C 2.361 177.269 174.990 -0.137 0.000 1.249 268 C CA 0.852 59.715 59.018 -0.258 0.000 1.725 268 C CB -1.137 26.440 27.740 -0.272 0.000 2.028 268 C HN 0.593 nan 8.230 nan 0.000 0.477 269 D N 0.714 121.030 120.400 -0.141 0.000 2.117 269 D HA -0.108 4.535 4.640 0.004 0.000 0.197 269 D C 2.179 178.435 176.300 -0.073 0.000 0.987 269 D CA 1.113 55.054 54.000 -0.099 0.000 0.829 269 D CB -0.441 40.291 40.800 -0.114 0.000 0.961 269 D HN 0.526 nan 8.370 nan 0.000 0.460 270 K N 0.277 120.628 120.400 -0.082 0.000 2.211 270 K HA -0.009 4.313 4.320 0.004 0.000 0.203 270 K C 2.003 178.585 176.600 -0.030 0.000 1.050 270 K CA 0.625 56.883 56.287 -0.049 0.000 0.945 270 K CB 0.088 32.560 32.500 -0.047 0.000 0.732 270 K HN 0.055 nan 8.250 nan 0.000 0.451 271 R N -0.532 119.944 120.500 -0.039 0.000 2.275 271 R HA 0.017 4.359 4.340 0.004 0.000 0.199 271 R C 0.943 177.238 176.300 -0.009 0.000 0.989 271 R CA 0.568 56.658 56.100 -0.017 0.000 1.016 271 R CB 0.369 30.657 30.300 -0.020 0.000 0.918 271 R HN 0.333 nan 8.270 nan 0.000 0.473 272 G N 1.799 110.588 108.800 -0.018 0.000 2.147 272 G HA2 -0.259 3.703 3.960 0.004 0.000 0.244 272 G HA3 -0.259 3.703 3.960 0.004 0.000 0.244 272 G C -0.494 174.408 174.900 0.004 0.000 1.005 272 G CA 0.275 45.371 45.100 -0.006 0.000 0.713 272 G HN 0.363 nan 8.290 nan 0.000 0.515 273 D N 0.700 121.098 120.400 -0.003 0.000 2.347 273 D HA 0.481 5.123 4.640 0.004 0.000 0.235 273 D C 1.516 177.835 176.300 0.031 0.000 1.149 273 D CA 0.272 54.283 54.000 0.019 0.000 0.850 273 D CB 0.818 41.623 40.800 0.008 0.000 1.061 273 D HN 0.293 nan 8.370 nan 0.000 0.487 274 S N 1.750 117.481 115.700 0.052 0.000 2.556 274 S HA 0.025 4.497 4.470 0.004 0.000 0.216 274 S C 1.405 176.073 174.600 0.113 0.000 0.970 274 S CA 0.339 58.580 58.200 0.067 0.000 0.912 274 S CB -0.031 63.200 63.200 0.051 0.000 0.790 274 S HN 0.354 nan 8.310 nan 0.000 0.504 275 V N -2.774 117.221 119.914 0.134 0.000 3.359 275 V HA 0.294 4.416 4.120 0.004 0.000 0.245 275 V C 1.965 178.208 176.094 0.248 0.000 1.247 275 V CA 0.710 63.112 62.300 0.171 0.000 1.145 275 V CB -0.573 31.329 31.823 0.133 0.000 0.906 275 V HN 0.312 nan 8.190 nan 0.000 0.464 276 S N 0.912 116.772 115.700 0.267 0.000 2.400 276 S HA -0.099 4.373 4.470 0.004 0.000 0.232 276 S C 1.547 176.509 174.600 0.603 0.000 1.025 276 S CA 2.186 60.637 58.200 0.420 0.000 0.993 276 S CB -0.605 62.806 63.200 0.351 0.000 0.808 276 S HN 0.705 nan 8.310 nan 0.000 0.478 277 F N 2.857 123.030 119.950 0.371 0.000 2.069 277 F HA -0.187 4.348 4.527 0.012 0.000 0.298 277 F C 1.950 178.123 175.800 0.622 0.000 1.113 277 F CA 1.760 60.099 58.000 0.565 0.000 1.214 277 F CB -0.408 38.776 39.000 0.307 0.000 0.978 277 F HN 0.104 nan 8.300 nan 0.000 0.474 278 D N 0.231 120.945 120.400 0.523 0.000 2.144 278 D HA -0.167 4.475 4.640 0.004 0.000 0.199 278 D C 2.109 178.556 176.300 0.245 0.000 0.984 278 D CA 1.479 55.701 54.000 0.370 0.000 0.834 278 D CB -0.463 40.524 40.800 0.312 0.000 0.955 278 D HN 0.522 nan 8.370 nan 0.000 0.465 279 E N -0.646 119.708 120.200 0.257 0.000 2.204 279 E HA -0.175 4.177 4.350 0.004 0.000 0.195 279 E C 1.526 178.128 176.600 0.004 0.000 0.990 279 E CA 0.734 57.213 56.400 0.131 0.000 0.821 279 E CB -0.051 29.740 29.700 0.151 0.000 0.750 279 E HN 0.429 nan 8.360 nan 0.000 0.477 280 Y N -1.969 118.297 120.300 -0.055 0.000 2.476 280 Y HA -0.008 4.544 4.550 0.002 0.000 0.283 280 Y C 1.253 176.771 175.900 -0.637 0.000 1.109 280 Y CA 0.422 58.294 58.100 -0.380 0.000 1.246 280 Y CB 0.228 38.358 38.460 -0.550 0.000 1.068 280 Y HN 0.066 nan 8.280 nan 0.000 0.552 281 W N 0.938 122.200 121.300 -0.063 0.000 3.058 281 W HA 0.186 4.855 4.660 0.016 0.000 0.306 281 W C 0.524 177.133 176.519 0.149 0.000 1.188 281 W CA -0.462 56.855 57.345 -0.047 0.000 1.651 281 W CB 0.191 29.472 29.460 -0.298 0.000 1.051 281 W HN -0.291 nan 8.180 nan 0.000 0.592 282 K N 1.263 121.809 120.400 0.243 0.000 2.319 282 K HA 0.146 4.468 4.320 0.004 0.000 0.265 282 K C 0.771 177.405 176.600 0.057 0.000 1.000 282 K CA -0.116 56.255 56.287 0.140 0.000 0.943 282 K CB 0.863 33.416 32.500 0.089 0.000 0.950 282 K HN 0.002 nan 8.250 nan 0.000 0.485 283 K N 0.786 121.193 120.400 0.012 0.000 2.160 283 K HA -0.167 4.155 4.320 0.004 0.000 0.206 283 K C 0.792 177.375 176.600 -0.028 0.000 1.047 283 K CA 1.963 58.243 56.287 -0.012 0.000 0.930 283 K CB -0.188 32.296 32.500 -0.026 0.000 0.720 283 K HN 0.766 nan 8.250 nan 0.000 0.450 284 D N 0.303 120.688 120.400 -0.025 0.000 2.370 284 D HA -0.025 4.618 4.640 0.004 0.000 0.230 284 D C 0.034 176.300 176.300 -0.057 0.000 1.143 284 D CA -0.032 53.947 54.000 -0.035 0.000 0.834 284 D CB 0.116 40.903 40.800 -0.022 0.000 0.944 284 D HN -0.157 nan 8.370 nan 0.000 0.504 285 S N 0.572 116.224 115.700 -0.080 0.000 2.560 285 S HA 0.121 4.593 4.470 0.004 0.000 0.284 285 S C 1.287 175.789 174.600 -0.162 0.000 1.327 285 S CA 0.028 58.146 58.200 -0.136 0.000 1.055 285 S CB 0.728 63.809 63.200 -0.198 0.000 0.868 285 S HN 0.370 nan 8.310 nan 0.000 0.506 286 T N 1.914 116.358 114.554 -0.184 0.000 3.092 286 T HA 0.534 4.886 4.350 0.004 0.000 0.258 286 T C 0.429 174.983 174.700 -0.243 0.000 1.031 286 T CA 0.019 62.016 62.100 -0.172 0.000 0.925 286 T CB 0.049 68.841 68.868 -0.125 0.000 1.036 286 T HN 0.681 nan 8.240 nan 0.000 0.544 287 A N 1.272 123.873 122.820 -0.365 0.000 2.286 287 A HA 0.607 4.929 4.320 0.004 0.000 0.286 287 A C -0.067 177.277 177.584 -0.399 0.000 1.097 287 A CA -0.735 51.004 52.037 -0.498 0.000 0.821 287 A CB 0.502 18.906 19.000 -0.992 0.000 1.076 287 A HN 0.539 nan 8.150 nan 0.000 0.490 288 E N -0.313 119.683 120.200 -0.341 0.000 2.191 288 E HA 0.473 4.825 4.350 0.004 0.000 0.278 288 E C -1.398 174.865 176.600 -0.561 0.000 0.972 288 E CA -0.572 55.577 56.400 -0.419 0.000 0.804 288 E CB 1.897 31.471 29.700 -0.209 0.000 1.110 288 E HN 0.414 nan 8.360 nan 0.000 0.394 289 L N 3.806 124.530 121.223 -0.832 0.000 2.349 289 L HA 0.420 4.762 4.340 0.004 0.000 0.278 289 L C -1.940 174.319 176.870 -1.018 0.000 0.996 289 L CA -0.435 53.939 54.840 -0.776 0.000 0.825 289 L CB 0.537 42.175 42.059 -0.701 0.000 1.243 289 L HN 0.468 nan 8.230 nan 0.000 0.412 290 Y N 3.170 123.207 120.300 -0.438 0.000 2.425 290 Y HA 0.541 5.094 4.550 0.005 0.000 0.344 290 Y C -0.622 174.948 175.900 -0.550 0.000 0.969 290 Y CA -0.647 57.088 58.100 -0.607 0.000 1.052 290 Y CB 1.856 39.998 38.460 -0.530 0.000 1.215 290 Y HN 0.581 nan 8.280 nan 0.000 0.451 291 H N 2.591 121.513 119.070 -0.246 0.000 2.539 291 H HA 0.381 4.939 4.556 0.002 0.000 0.332 291 H C -1.438 173.756 175.328 -0.224 0.000 1.031 291 H CA -0.785 55.162 56.048 -0.169 0.000 1.206 291 H CB 1.167 30.851 29.762 -0.129 0.000 1.446 291 H HN 0.481 nan 8.280 nan 0.000 0.496 292 F N 4.844 124.847 119.950 0.088 0.000 2.411 292 F HA 0.352 4.880 4.527 0.003 0.000 0.355 292 F C 0.405 176.249 175.800 0.074 0.000 1.117 292 F CA -0.595 57.472 58.000 0.111 0.000 1.139 292 F CB 0.560 39.641 39.000 0.135 0.000 1.120 292 F HN 0.386 nan 8.300 nan 0.000 0.493 293 I N -0.237 120.414 120.570 0.136 0.000 3.191 293 I HA 0.926 5.098 4.170 0.004 0.000 0.313 293 I C -0.218 175.759 176.117 -0.233 0.000 1.193 293 I CA -1.233 60.071 61.300 0.006 0.000 0.968 293 I CB 1.868 39.728 38.000 -0.233 0.000 1.262 293 I HN 0.542 nan 8.210 nan 0.000 0.456 294 G N 1.227 109.892 108.800 -0.224 0.000 2.477 294 G HA2 0.311 4.273 3.960 0.004 0.000 0.304 294 G HA3 0.311 4.273 3.960 0.004 0.000 0.304 294 G C 0.456 175.256 174.900 -0.167 0.000 1.175 294 G CA -0.613 44.214 45.100 -0.456 0.000 0.907 294 G HN 0.944 nan 8.290 nan 0.000 0.509 295 K N -0.337 119.965 120.400 -0.163 0.000 2.280 295 K HA -0.075 4.247 4.320 0.004 0.000 0.202 295 K C 0.575 177.245 176.600 0.116 0.000 1.047 295 K CA 1.329 57.581 56.287 -0.058 0.000 0.942 295 K CB 0.096 32.476 32.500 -0.199 0.000 0.739 295 K HN 0.278 nan 8.250 nan 0.000 0.457 296 D N 1.668 122.200 120.400 0.219 0.000 2.348 296 D HA -0.025 4.618 4.640 0.004 0.000 0.216 296 D C 1.529 177.978 176.300 0.248 0.000 0.970 296 D CA 0.844 54.999 54.000 0.259 0.000 0.889 296 D CB 0.132 41.102 40.800 0.283 0.000 0.912 296 D HN 0.606 nan 8.370 nan 0.000 0.524 297 I N -3.265 117.458 120.570 0.255 0.000 3.833 297 I HA 0.174 4.346 4.170 0.004 0.000 0.328 297 I C 1.069 177.391 176.117 0.342 0.000 1.554 297 I CA -0.178 61.337 61.300 0.358 0.000 1.116 297 I CB 0.446 38.703 38.000 0.427 0.000 1.182 297 I HN -0.337 nan 8.210 nan 0.000 0.459 298 V N 0.737 120.787 119.914 0.226 0.000 2.515 298 V HA -0.276 3.847 4.120 0.004 0.000 0.250 298 V C 2.300 178.449 176.094 0.093 0.000 1.058 298 V CA 2.107 64.539 62.300 0.219 0.000 1.064 298 V CB -0.824 31.166 31.823 0.278 0.000 0.675 298 V HN 0.622 nan 8.190 nan 0.000 0.461 299 Y N 0.282 120.357 120.300 -0.375 0.000 2.128 299 Y HA -0.284 4.267 4.550 0.002 0.000 0.284 299 Y C 2.188 177.534 175.900 -0.922 0.000 1.154 299 Y CA 2.144 59.614 58.100 -1.050 0.000 1.149 299 Y CB -0.307 37.197 38.460 -1.594 0.000 0.976 299 Y HN 0.261 nan 8.280 nan 0.000 0.505 300 F N -1.472 118.246 119.950 -0.387 0.000 2.186 300 F HA -0.232 4.297 4.527 0.002 0.000 0.299 300 F C 2.473 178.169 175.800 -0.172 0.000 1.090 300 F CA 1.717 59.493 58.000 -0.372 0.000 1.307 300 F CB -0.663 37.964 39.000 -0.621 0.000 1.019 300 F HN 0.185 nan 8.300 nan 0.000 0.489 301 H N -1.166 117.994 119.070 0.149 0.000 2.512 301 H HA 0.023 4.582 4.556 0.005 0.000 0.279 301 H C 2.255 177.760 175.328 0.294 0.000 0.999 301 H CA 1.453 57.648 56.048 0.246 0.000 1.283 301 H CB 0.044 29.930 29.762 0.207 0.000 1.421 301 H HN 0.302 nan 8.280 nan 0.000 0.554 302 S N -0.470 115.381 115.700 0.252 0.000 2.497 302 S HA 0.117 4.589 4.470 0.004 0.000 0.218 302 S C 1.776 176.431 174.600 0.092 0.000 1.023 302 S CA -0.155 58.230 58.200 0.309 0.000 0.913 302 S CB 0.137 63.498 63.200 0.268 0.000 0.800 302 S HN 0.158 nan 8.310 nan 0.000 0.505 303 L N -1.255 119.843 121.223 -0.209 0.000 2.777 303 L HA 0.397 4.740 4.340 0.004 0.000 0.172 303 L C 1.962 178.751 176.870 -0.135 0.000 1.179 303 L CA 0.185 54.834 54.840 -0.319 0.000 0.859 303 L CB -0.599 40.944 42.059 -0.859 0.000 1.269 303 L HN 0.116 nan 8.230 nan 0.000 0.511 304 F N 0.160 120.000 119.950 -0.184 0.000 2.069 304 F HA -0.283 4.248 4.527 0.006 0.000 0.298 304 F C 2.407 178.228 175.800 0.035 0.000 1.113 304 F CA 1.320 59.267 58.000 -0.089 0.000 1.214 304 F CB -1.140 37.597 39.000 -0.439 0.000 0.978 304 F HN 0.257 nan 8.300 nan 0.000 0.474 305 W N 2.344 123.667 121.300 0.037 0.000 2.332 305 W HA -0.197 4.460 4.660 -0.004 0.000 0.321 305 W C -0.821 175.638 176.519 -0.101 0.000 1.219 305 W CA 1.306 58.640 57.345 -0.018 0.000 1.277 305 W CB -1.477 27.982 29.460 -0.002 0.000 1.161 305 W HN -0.010 nan 8.180 nan 0.000 0.476 306 P HA -0.169 nan 4.420 nan 0.000 0.216 306 P C 1.521 178.534 177.300 -0.478 0.000 1.150 306 P CA 3.049 65.816 63.100 -0.555 0.000 0.837 306 P CB -0.500 30.723 31.700 -0.795 0.000 0.786 307 A N -1.063 121.525 122.820 -0.388 0.000 1.873 307 A HA -0.189 4.133 4.320 0.004 0.000 0.215 307 A C 2.196 179.354 177.584 -0.711 0.000 1.186 307 A CA 1.818 53.432 52.037 -0.705 0.000 0.616 307 A CB -1.459 17.241 19.000 -0.499 0.000 0.823 307 A HN 0.087 nan 8.150 nan 0.000 0.442 308 M N -0.594 118.741 119.600 -0.442 0.000 2.080 308 M HA -0.149 4.333 4.480 0.004 0.000 0.260 308 M C 2.124 178.255 176.300 -0.281 0.000 1.068 308 M CA 1.519 56.550 55.300 -0.448 0.000 1.109 308 M CB -0.520 31.932 32.600 -0.246 0.000 1.342 308 M HN 0.388 nan 8.290 nan 0.000 0.405 309 L N -0.610 120.395 121.223 -0.363 0.000 2.017 309 L HA -0.215 4.127 4.340 0.004 0.000 0.208 309 L C 2.477 179.298 176.870 -0.082 0.000 1.073 309 L CA 1.349 56.046 54.840 -0.239 0.000 0.745 309 L CB -0.668 41.113 42.059 -0.463 0.000 0.894 309 L HN 0.267 nan 8.230 nan 0.000 0.432 310 E N 0.580 120.673 120.200 -0.179 0.000 2.058 310 E HA -0.202 4.150 4.350 0.004 0.000 0.194 310 E C 2.075 178.726 176.600 0.085 0.000 0.997 310 E CA 1.609 57.980 56.400 -0.049 0.000 0.801 310 E CB -0.376 29.302 29.700 -0.038 0.000 0.746 310 E HN 0.362 nan 8.360 nan 0.000 0.450 311 G N -0.933 107.895 108.800 0.048 0.000 2.534 311 G HA2 -0.173 3.789 3.960 0.004 0.000 0.217 311 G HA3 -0.173 3.789 3.960 0.004 0.000 0.217 311 G C 1.298 176.360 174.900 0.271 0.000 1.128 311 G CA 0.887 46.132 45.100 0.242 0.000 0.784 311 G HN 0.369 nan 8.290 nan 0.000 0.542 312 S N -0.943 114.856 115.700 0.165 0.000 2.593 312 S HA 0.187 4.660 4.470 0.004 0.000 0.236 312 S C 0.766 175.379 174.600 0.022 0.000 0.991 312 S CA 0.128 58.434 58.200 0.177 0.000 0.963 312 S CB -0.256 63.118 63.200 0.290 0.000 0.865 312 S HN 0.409 nan 8.310 nan 0.000 0.488 313 N N 0.107 118.804 118.700 -0.005 0.000 2.780 313 N HA -0.148 4.594 4.740 0.004 0.000 0.248 313 N C -1.385 173.943 175.510 -0.304 0.000 1.102 313 N CA 0.379 53.342 53.050 -0.144 0.000 0.697 313 N CB -1.171 37.196 38.487 -0.199 0.000 1.028 313 N HN 0.517 nan 8.380 nan 0.000 0.554 314 F N 0.484 120.441 119.950 0.012 0.000 2.556 314 F HA 0.503 5.022 4.527 -0.013 0.000 0.327 314 F C 0.958 176.741 175.800 -0.028 0.000 1.059 314 F CA -1.041 56.982 58.000 0.038 0.000 0.953 314 F CB 0.831 39.876 39.000 0.075 0.000 1.227 314 F HN -0.004 nan 8.300 nan 0.000 0.478 315 R N 1.085 121.703 120.500 0.196 0.000 2.774 315 R HA 0.397 4.739 4.340 0.004 0.000 0.269 315 R C -1.182 175.072 176.300 -0.077 0.000 1.068 315 R CA -0.474 55.628 56.100 0.003 0.000 1.180 315 R CB 0.164 30.419 30.300 -0.074 0.000 1.077 315 R HN 0.533 nan 8.270 nan 0.000 0.513 316 K N 1.121 121.419 120.400 -0.170 0.000 2.211 316 K HA 0.436 4.758 4.320 0.004 0.000 0.237 316 K C -2.363 174.124 176.600 -0.189 0.000 1.002 316 K CA -2.231 53.893 56.287 -0.271 0.000 0.885 316 K CB 0.956 33.209 32.500 -0.412 0.000 1.136 316 K HN 0.442 nan 8.250 nan 0.000 0.448 317 P HA 0.009 nan 4.420 nan 0.000 0.266 317 P C -0.198 177.114 177.300 0.021 0.000 1.195 317 P CA 0.394 63.479 63.100 -0.025 0.000 0.768 317 P CB 0.688 32.559 31.700 0.285 0.000 0.838 318 S N 0.996 116.533 115.700 -0.271 0.000 2.395 318 S HA -0.011 4.461 4.470 0.004 0.000 0.225 318 S C 0.800 175.317 174.600 -0.139 0.000 1.027 318 S CA 1.056 59.105 58.200 -0.252 0.000 0.965 318 S CB -0.317 62.529 63.200 -0.589 0.000 0.812 318 S HN 0.573 nan 8.310 nan 0.000 0.482 319 N N -0.571 117.991 118.700 -0.230 0.000 3.043 319 N HA 0.349 5.091 4.740 0.004 0.000 0.243 319 N C -2.163 173.091 175.510 -0.426 0.000 1.347 319 N CA -0.382 52.511 53.050 -0.263 0.000 0.896 319 N CB 1.114 39.466 38.487 -0.226 0.000 1.501 319 N HN 0.009 nan 8.380 nan 0.000 0.504 320 L N 1.889 122.888 121.223 -0.374 0.000 2.341 320 L HA 0.559 4.902 4.340 0.004 0.000 0.278 320 L C -0.692 175.954 176.870 -0.373 0.000 1.005 320 L CA -0.669 53.989 54.840 -0.303 0.000 0.818 320 L CB 1.405 43.447 42.059 -0.027 0.000 1.259 320 L HN 0.444 nan 8.230 nan 0.000 0.418 321 F N 3.065 122.770 119.950 -0.408 0.000 2.325 321 F HA 0.415 4.945 4.527 0.005 0.000 0.369 321 F C -0.007 175.590 175.800 -0.339 0.000 1.095 321 F CA -1.085 56.578 58.000 -0.563 0.000 1.082 321 F CB 1.675 39.930 39.000 -1.242 0.000 1.289 321 F HN 0.110 nan 8.300 nan 0.000 0.462 322 V N 3.701 123.581 119.914 -0.058 0.000 2.481 322 V HA 0.311 4.433 4.120 0.004 0.000 0.286 322 V C 0.089 176.128 176.094 -0.091 0.000 1.042 322 V CA -0.664 61.570 62.300 -0.109 0.000 0.928 322 V CB 1.216 32.962 31.823 -0.129 0.000 0.986 322 V HN 0.674 nan 8.190 nan 0.000 0.462 323 H N 1.938 120.985 119.070 -0.039 0.000 2.771 323 H HA 0.752 5.310 4.556 0.003 0.000 0.367 323 H C 0.081 175.354 175.328 -0.092 0.000 1.172 323 H CA -0.500 55.507 56.048 -0.069 0.000 1.186 323 H CB 2.061 31.800 29.762 -0.038 0.000 1.790 323 H HN 0.688 nan 8.280 nan 0.000 0.556 324 G N -0.178 108.635 108.800 0.021 0.000 2.510 324 G HA2 0.290 4.252 3.960 0.004 0.000 0.280 324 G HA3 0.290 4.252 3.960 0.004 0.000 0.280 324 G C -0.750 174.208 174.900 0.096 0.000 1.386 324 G CA -0.852 44.176 45.100 -0.120 0.000 1.047 324 G HN 0.593 nan 8.290 nan 0.000 0.527 325 Y N -1.828 118.519 120.300 0.079 0.000 2.295 325 Y HA 0.396 4.948 4.550 0.003 0.000 0.331 325 Y C 0.613 176.542 175.900 0.049 0.000 1.311 325 Y CA -1.001 57.148 58.100 0.082 0.000 1.430 325 Y CB 1.243 39.737 38.460 0.057 0.000 1.339 325 Y HN 0.073 nan 8.280 nan 0.000 0.552 326 V N 1.177 121.224 119.914 0.222 0.000 2.472 326 V HA 0.349 4.471 4.120 0.004 0.000 0.290 326 V C -0.034 176.135 176.094 0.125 0.000 1.037 326 V CA -0.610 61.758 62.300 0.112 0.000 0.908 326 V CB 1.525 33.385 31.823 0.062 0.000 0.985 326 V HN 0.900 nan 8.190 nan 0.000 0.454 327 T N 1.539 116.167 114.554 0.122 0.000 2.924 327 T HA 0.807 5.159 4.350 0.004 0.000 0.291 327 T C -0.901 173.863 174.700 0.107 0.000 1.045 327 T CA -0.787 61.378 62.100 0.108 0.000 1.015 327 T CB 1.925 70.858 68.868 0.108 0.000 1.103 327 T HN 0.288 nan 8.240 nan 0.000 0.496 328 V N 2.863 122.829 119.914 0.087 0.000 2.444 328 V HA 0.442 4.564 4.120 0.004 0.000 0.294 328 V C -0.206 175.931 176.094 0.072 0.000 1.022 328 V CA -0.971 61.375 62.300 0.076 0.000 0.850 328 V CB 0.935 32.796 31.823 0.063 0.000 0.992 328 V HN 1.062 nan 8.190 nan 0.000 0.426 329 N N 3.945 122.690 118.700 0.075 0.000 2.735 329 N HA -0.209 4.533 4.740 0.004 0.000 0.248 329 N C 1.169 176.722 175.510 0.072 0.000 1.083 329 N CA 1.654 54.747 53.050 0.072 0.000 0.703 329 N CB -1.168 37.355 38.487 0.060 0.000 1.005 329 N HN 1.557 nan 8.380 nan 0.000 0.550 330 G N -2.559 106.290 108.800 0.082 0.000 2.225 330 G HA2 -0.069 3.893 3.960 0.004 0.000 0.254 330 G HA3 -0.069 3.893 3.960 0.004 0.000 0.254 330 G C 0.175 175.116 174.900 0.069 0.000 0.988 330 G CA 0.885 46.030 45.100 0.075 0.000 0.625 330 G HN 1.301 nan 8.290 nan 0.000 0.527 331 A N -0.478 122.383 122.820 0.067 0.000 2.430 331 A HA 0.811 5.133 4.320 0.004 0.000 0.300 331 A C 0.281 177.903 177.584 0.063 0.000 1.124 331 A CA 0.343 52.416 52.037 0.060 0.000 0.766 331 A CB 1.068 20.098 19.000 0.049 0.000 1.328 331 A HN 0.769 nan 8.150 nan 0.000 0.424 332 K N 1.107 121.538 120.400 0.052 0.000 2.518 332 K HA 0.131 4.453 4.320 0.004 0.000 0.276 332 K C -0.046 176.584 176.600 0.049 0.000 0.974 332 K CA 0.181 56.491 56.287 0.038 0.000 0.986 332 K CB 0.073 32.576 32.500 0.005 0.000 0.901 332 K HN 0.693 nan 8.250 nan 0.000 0.497 333 M N 2.401 122.041 119.600 0.067 0.000 2.248 333 M HA -0.088 4.394 4.480 0.004 0.000 0.343 333 M C 0.246 176.614 176.300 0.114 0.000 1.243 333 M CA 0.793 56.165 55.300 0.120 0.000 1.025 333 M CB 0.571 33.290 32.600 0.198 0.000 1.759 333 M HN 0.523 nan 8.290 nan 0.000 0.452 334 S N 2.661 118.429 115.700 0.113 0.000 2.659 334 S HA 0.304 4.776 4.470 0.004 0.000 0.312 334 S C 0.604 175.259 174.600 0.092 0.000 1.114 334 S CA -0.862 57.377 58.200 0.066 0.000 1.063 334 S CB 1.108 64.333 63.200 0.042 0.000 0.996 334 S HN 0.769 nan 8.310 nan 0.000 0.478 335 K N 2.178 122.602 120.400 0.039 0.000 2.057 335 K HA -0.098 4.224 4.320 0.004 0.000 0.207 335 K C 2.305 178.932 176.600 0.045 0.000 1.049 335 K CA 1.798 58.116 56.287 0.052 0.000 0.931 335 K CB -0.247 32.214 32.500 -0.065 0.000 0.714 335 K HN 0.787 nan 8.250 nan 0.000 0.440 336 S N 1.060 116.770 115.700 0.017 0.000 2.399 336 S HA -0.130 4.342 4.470 0.004 0.000 0.231 336 S C 1.843 176.461 174.600 0.030 0.000 1.022 336 S CA 0.848 59.058 58.200 0.017 0.000 0.983 336 S CB -0.187 63.016 63.200 0.005 0.000 0.803 336 S HN 0.249 nan 8.310 nan 0.000 0.480 337 R N 0.779 121.302 120.500 0.039 0.000 2.297 337 R HA 0.255 4.597 4.340 0.004 0.000 0.197 337 R C 1.387 177.718 176.300 0.051 0.000 0.943 337 R CA 0.401 56.526 56.100 0.041 0.000 1.038 337 R CB -0.243 30.082 30.300 0.042 0.000 0.957 337 R HN 0.607 nan 8.270 nan 0.000 0.484 338 G N 1.419 110.259 108.800 0.068 0.000 2.160 338 G HA2 -0.287 3.675 3.960 0.004 0.000 0.244 338 G HA3 -0.287 3.675 3.960 0.004 0.000 0.244 338 G C 0.648 175.600 174.900 0.085 0.000 1.022 338 G CA 0.778 45.924 45.100 0.077 0.000 0.741 338 G HN 0.451 nan 8.290 nan 0.000 0.508 339 T N -3.005 111.613 114.554 0.105 0.000 3.054 339 T HA 0.454 4.806 4.350 0.004 0.000 0.255 339 T C 0.641 175.416 174.700 0.125 0.000 1.035 339 T CA 0.080 62.239 62.100 0.098 0.000 0.941 339 T CB 0.232 69.149 68.868 0.082 0.000 1.026 339 T HN 0.780 nan 8.240 nan 0.000 0.533 340 F N 3.011 122.973 119.950 0.019 0.000 2.406 340 F HA 0.584 5.112 4.527 0.003 0.000 0.358 340 F C -0.586 175.247 175.800 0.055 0.000 1.161 340 F CA -2.435 55.568 58.000 0.004 0.000 1.185 340 F CB -0.186 38.804 39.000 -0.016 0.000 1.421 340 F HN 0.064 nan 8.300 nan 0.000 0.576 341 I N 6.361 126.767 120.570 -0.274 0.000 2.336 341 I HA 0.254 4.426 4.170 0.004 0.000 0.292 341 I C -0.035 175.973 176.117 -0.181 0.000 0.991 341 I CA -0.784 60.443 61.300 -0.123 0.000 1.227 341 I CB 1.278 39.322 38.000 0.074 0.000 1.366 341 I HN 0.401 nan 8.210 nan 0.000 0.466 342 K N 3.872 124.234 120.400 -0.063 0.000 2.154 342 K HA 0.417 4.739 4.320 0.004 0.000 0.264 342 K C 0.936 177.608 176.600 0.120 0.000 1.008 342 K CA -0.311 55.973 56.287 -0.005 0.000 0.937 342 K CB 1.417 33.942 32.500 0.042 0.000 1.002 342 K HN 0.732 nan 8.250 nan 0.000 0.469 343 A N 1.586 124.454 122.820 0.079 0.000 1.908 343 A HA -0.209 4.113 4.320 0.004 0.000 0.218 343 A C 2.172 179.982 177.584 0.376 0.000 1.181 343 A CA 2.275 54.438 52.037 0.211 0.000 0.627 343 A CB -0.835 18.163 19.000 -0.005 0.000 0.818 343 A HN 0.845 nan 8.150 nan 0.000 0.445 344 S N -0.801 115.014 115.700 0.193 0.000 2.370 344 S HA -0.179 4.293 4.470 0.004 0.000 0.226 344 S C 1.871 176.575 174.600 0.174 0.000 1.033 344 S CA 2.061 60.354 58.200 0.155 0.000 1.011 344 S CB -1.340 61.903 63.200 0.072 0.000 0.852 344 S HN 0.494 nan 8.310 nan 0.000 0.457 345 T N 1.220 115.888 114.554 0.190 0.000 2.746 345 T HA -0.100 4.252 4.350 0.004 0.000 0.267 345 T C 1.339 176.222 174.700 0.306 0.000 1.039 345 T CA 1.219 63.443 62.100 0.207 0.000 1.142 345 T CB -0.599 68.384 68.868 0.191 0.000 0.866 345 T HN 0.640 nan 8.240 nan 0.000 0.444 346 W N 1.994 123.417 121.300 0.205 0.000 2.321 346 W HA -0.120 4.542 4.660 0.004 0.000 0.306 346 W C 1.496 178.147 176.519 0.219 0.000 1.217 346 W CA 1.002 58.506 57.345 0.266 0.000 1.257 346 W CB -0.644 29.011 29.460 0.325 0.000 1.145 346 W HN 0.261 nan 8.180 nan 0.000 0.509 347 L N 0.715 122.108 121.223 0.284 0.000 2.362 347 L HA -0.199 4.143 4.340 0.004 0.000 0.219 347 L C 1.830 178.637 176.870 -0.104 0.000 1.134 347 L CA 1.216 56.084 54.840 0.047 0.000 0.807 347 L CB -0.887 41.177 42.059 0.008 0.000 0.927 347 L HN 0.057 nan 8.230 nan 0.000 0.447 348 N N -1.586 117.031 118.700 -0.139 0.000 2.409 348 N HA -0.102 4.641 4.740 0.004 0.000 0.179 348 N C 1.537 176.684 175.510 -0.606 0.000 1.032 348 N CA 0.458 53.307 53.050 -0.334 0.000 0.898 348 N CB 0.177 38.441 38.487 -0.371 0.000 0.971 348 N HN 0.429 nan 8.380 nan 0.000 0.441 349 H N -1.472 117.347 119.070 -0.418 0.000 2.545 349 H HA 0.210 4.768 4.556 0.003 0.000 0.283 349 H C -0.100 174.579 175.328 -1.081 0.000 0.997 349 H CA 0.521 56.111 56.048 -0.763 0.000 1.269 349 H CB 0.707 29.923 29.762 -0.910 0.000 1.451 349 H HN 0.011 nan 8.280 nan 0.000 0.508 350 F N 1.346 121.056 119.950 -0.400 0.000 2.620 350 F HA 0.199 4.728 4.527 0.003 0.000 0.320 350 F C 0.025 175.749 175.800 -0.125 0.000 1.069 350 F CA -1.392 56.430 58.000 -0.296 0.000 0.953 350 F CB 1.367 40.090 39.000 -0.460 0.000 1.322 350 F HN -0.045 nan 8.300 nan 0.000 0.479 351 D N 0.700 121.258 120.400 0.263 0.000 2.411 351 D HA 0.362 5.004 4.640 0.004 0.000 0.251 351 D C 0.734 177.235 176.300 0.336 0.000 1.201 351 D CA -0.299 53.809 54.000 0.179 0.000 0.996 351 D CB 0.822 41.681 40.800 0.097 0.000 1.101 351 D HN 0.559 nan 8.370 nan 0.000 0.504 352 A N 0.250 123.140 122.820 0.117 0.000 1.897 352 A HA -0.158 4.164 4.320 0.004 0.000 0.215 352 A C 1.678 179.459 177.584 0.328 0.000 1.181 352 A CA 1.400 53.475 52.037 0.064 0.000 0.620 352 A CB -0.672 18.239 19.000 -0.149 0.000 0.821 352 A HN 0.578 nan 8.150 nan 0.000 0.443 353 D N 0.429 121.019 120.400 0.315 0.000 2.158 353 D HA -0.165 4.478 4.640 0.004 0.000 0.197 353 D C 2.478 179.041 176.300 0.438 0.000 0.995 353 D CA 1.821 56.036 54.000 0.358 0.000 0.846 353 D CB -0.312 40.720 40.800 0.387 0.000 0.941 353 D HN 0.591 nan 8.370 nan 0.000 0.456 354 S N 0.296 116.331 115.700 0.558 0.000 2.356 354 S HA -0.172 4.300 4.470 0.004 0.000 0.223 354 S C 2.024 177.027 174.600 0.672 0.000 1.032 354 S CA 0.755 59.332 58.200 0.629 0.000 1.005 354 S CB -0.657 62.993 63.200 0.750 0.000 0.867 354 S HN 0.210 nan 8.310 nan 0.000 0.449 355 L N 1.855 123.399 121.223 0.534 0.000 2.056 355 L HA 0.141 4.483 4.340 0.004 0.000 0.207 355 L C 2.675 179.552 176.870 0.012 0.000 1.078 355 L CA 1.465 56.309 54.840 0.006 0.000 0.749 355 L CB -0.689 41.040 42.059 -0.550 0.000 0.901 355 L HN 0.207 nan 8.230 nan 0.000 0.433 356 R N -1.798 118.832 120.500 0.215 0.000 2.083 356 R HA -0.253 4.089 4.340 0.004 0.000 0.237 356 R C 2.279 178.729 176.300 0.250 0.000 1.137 356 R CA 2.074 58.316 56.100 0.236 0.000 0.951 356 R CB -0.861 29.593 30.300 0.257 0.000 0.851 356 R HN 0.425 nan 8.270 nan 0.000 0.434 357 Y N 0.236 120.653 120.300 0.195 0.000 2.145 357 Y HA -0.302 4.250 4.550 0.003 0.000 0.286 357 Y C 2.164 178.187 175.900 0.205 0.000 1.145 357 Y CA 1.421 59.625 58.100 0.173 0.000 1.148 357 Y CB -0.582 37.958 38.460 0.133 0.000 0.981 357 Y HN 0.050 nan 8.280 nan 0.000 0.507 358 Y N -0.421 119.927 120.300 0.079 0.000 2.097 358 Y HA -0.358 4.194 4.550 0.003 0.000 0.282 358 Y C 2.339 178.276 175.900 0.062 0.000 1.152 358 Y CA 2.235 60.357 58.100 0.037 0.000 1.136 358 Y CB -1.026 37.568 38.460 0.224 0.000 0.975 358 Y HN 0.274 nan 8.280 nan 0.000 0.498 359 Y N -0.942 119.439 120.300 0.135 0.000 2.128 359 Y HA -0.321 4.231 4.550 0.004 0.000 0.284 359 Y C 2.554 178.456 175.900 0.005 0.000 1.154 359 Y CA 1.131 59.265 58.100 0.056 0.000 1.149 359 Y CB -0.493 38.011 38.460 0.073 0.000 0.976 359 Y HN 0.091 nan 8.280 nan 0.000 0.505 360 T N -0.081 114.591 114.554 0.196 0.000 2.788 360 T HA -0.206 4.146 4.350 0.004 0.000 0.268 360 T C 1.998 176.734 174.700 0.059 0.000 1.044 360 T CA 1.083 63.305 62.100 0.204 0.000 1.139 360 T CB -0.424 68.510 68.868 0.111 0.000 0.867 360 T HN 0.454 nan 8.240 nan 0.000 0.454 361 A N 1.199 123.876 122.820 -0.239 0.000 2.067 361 A HA -0.031 4.291 4.320 0.004 0.000 0.219 361 A C 2.152 179.620 177.584 -0.194 0.000 1.158 361 A CA 1.165 53.016 52.037 -0.310 0.000 0.661 361 A CB -0.216 18.432 19.000 -0.587 0.000 0.801 361 A HN 0.414 nan 8.150 nan 0.000 0.452 362 K N -1.118 119.183 120.400 -0.164 0.000 2.354 362 K HA 0.317 4.639 4.320 0.004 0.000 0.194 362 K C -0.159 176.415 176.600 -0.045 0.000 1.038 362 K CA -0.258 55.961 56.287 -0.114 0.000 1.052 362 K CB 0.176 32.598 32.500 -0.131 0.000 0.861 362 K HN 0.366 nan 8.250 nan 0.000 0.535 363 L N 1.624 122.854 121.223 0.011 0.000 2.452 363 L HA 0.055 4.397 4.340 0.004 0.000 0.267 363 L C 0.615 177.441 176.870 -0.074 0.000 1.188 363 L CA -0.035 54.788 54.840 -0.029 0.000 0.821 363 L CB 1.056 43.117 42.059 0.002 0.000 1.102 363 L HN 0.119 nan 8.230 nan 0.000 0.470 364 S N -1.168 114.435 115.700 -0.161 0.000 2.776 364 S HA 0.278 4.750 4.470 0.004 0.000 0.292 364 S C 0.315 174.764 174.600 -0.251 0.000 1.187 364 S CA -0.038 58.057 58.200 -0.175 0.000 0.834 364 S CB 1.337 64.463 63.200 -0.123 0.000 1.199 364 S HN 0.554 nan 8.310 nan 0.000 0.514 365 S N -0.494 115.071 115.700 -0.226 0.000 2.603 365 S HA 0.261 4.733 4.470 0.004 0.000 0.220 365 S C 0.580 175.062 174.600 -0.196 0.000 0.967 365 S CA -0.508 57.539 58.200 -0.254 0.000 0.920 365 S CB -0.522 62.541 63.200 -0.227 0.000 0.773 365 S HN 0.636 nan 8.310 nan 0.000 0.529 366 R N 0.809 121.213 120.500 -0.159 0.000 2.607 366 R HA 0.522 4.865 4.340 0.004 0.000 0.261 366 R C 1.067 177.292 176.300 -0.124 0.000 1.051 366 R CA -0.347 55.673 56.100 -0.133 0.000 1.110 366 R CB 0.501 30.733 30.300 -0.113 0.000 1.158 366 R HN 0.399 nan 8.270 nan 0.000 0.543 367 I N -2.108 118.388 120.570 -0.123 0.000 3.855 367 I HA 0.222 4.394 4.170 0.004 0.000 0.327 367 I C -0.736 175.301 176.117 -0.133 0.000 1.359 367 I CA -0.436 60.786 61.300 -0.129 0.000 1.142 367 I CB -0.114 37.791 38.000 -0.157 0.000 1.041 367 I HN 0.196 nan 8.210 nan 0.000 0.403 368 D N 2.609 122.944 120.400 -0.107 0.000 2.382 368 D HA 0.089 4.731 4.640 0.004 0.000 0.240 368 D C -0.032 176.225 176.300 -0.072 0.000 1.146 368 D CA 0.266 54.211 54.000 -0.092 0.000 0.897 368 D CB 0.621 41.380 40.800 -0.070 0.000 1.197 368 D HN 0.174 nan 8.370 nan 0.000 0.432 369 D N 0.407 120.773 120.400 -0.056 0.000 2.400 369 D HA 0.091 4.733 4.640 0.004 0.000 0.238 369 D C 0.163 176.472 176.300 0.015 0.000 1.157 369 D CA 0.124 54.122 54.000 -0.003 0.000 0.889 369 D CB 0.622 41.449 40.800 0.046 0.000 1.199 369 D HN 0.116 nan 8.370 nan 0.000 0.436 370 I N 1.714 122.301 120.570 0.029 0.000 2.362 370 I HA 0.154 4.326 4.170 0.004 0.000 0.289 370 I C 0.043 176.222 176.117 0.103 0.000 0.994 370 I CA -0.658 60.660 61.300 0.031 0.000 1.158 370 I CB 1.186 39.150 38.000 -0.059 0.000 1.315 370 I HN 0.212 nan 8.210 nan 0.000 0.451 371 D N 5.765 126.253 120.400 0.147 0.000 2.233 371 D HA 0.334 4.976 4.640 0.004 0.000 0.240 371 D C -0.718 175.776 176.300 0.323 0.000 1.074 371 D CA -0.399 53.716 54.000 0.192 0.000 0.838 371 D CB 1.229 42.120 40.800 0.151 0.000 1.124 371 D HN 0.284 nan 8.370 nan 0.000 0.475 372 L N 5.306 126.687 121.223 0.263 0.000 2.315 372 L HA 0.349 4.691 4.340 0.004 0.000 0.278 372 L C -0.675 176.235 176.870 0.067 0.000 1.088 372 L CA -0.370 54.579 54.840 0.182 0.000 0.899 372 L CB 0.003 42.093 42.059 0.052 0.000 1.277 372 L HN 0.365 nan 8.230 nan 0.000 0.431 373 N N 4.597 123.369 118.700 0.121 0.000 2.406 373 N HA 0.094 4.836 4.740 0.004 0.000 0.251 373 N C 0.951 176.475 175.510 0.025 0.000 1.069 373 N CA -0.152 52.958 53.050 0.100 0.000 0.947 373 N CB 0.941 39.530 38.487 0.170 0.000 1.111 373 N HN 0.745 nan 8.380 nan 0.000 0.497 374 L N 2.403 123.640 121.223 0.023 0.000 2.083 374 L HA -0.130 4.212 4.340 0.004 0.000 0.209 374 L C 2.236 179.181 176.870 0.124 0.000 1.083 374 L CA 0.950 55.819 54.840 0.048 0.000 0.752 374 L CB -0.194 41.893 42.059 0.047 0.000 0.899 374 L HN 0.554 nan 8.230 nan 0.000 0.433 375 E N 0.209 120.470 120.200 0.102 0.000 2.051 375 E HA -0.263 4.089 4.350 0.004 0.000 0.192 375 E C 1.743 178.412 176.600 0.115 0.000 0.991 375 E CA 1.660 58.121 56.400 0.102 0.000 0.799 375 E CB -0.150 29.601 29.700 0.086 0.000 0.748 375 E HN 0.448 nan 8.360 nan 0.000 0.449 376 D N -0.249 120.237 120.400 0.143 0.000 2.144 376 D HA -0.163 4.479 4.640 0.004 0.000 0.199 376 D C 1.841 178.286 176.300 0.241 0.000 0.984 376 D CA 0.579 54.703 54.000 0.206 0.000 0.834 376 D CB -0.208 40.769 40.800 0.295 0.000 0.955 376 D HN 0.072 nan 8.370 nan 0.000 0.465 377 F N 0.547 120.446 119.950 -0.084 0.000 2.069 377 F HA -0.209 4.320 4.527 0.004 0.000 0.298 377 F C 2.068 177.851 175.800 -0.028 0.000 1.113 377 F CA 1.337 59.182 58.000 -0.258 0.000 1.214 377 F CB -0.693 38.008 39.000 -0.497 0.000 0.978 377 F HN -0.100 nan 8.300 nan 0.000 0.474 378 V N 0.789 120.596 119.914 -0.179 0.000 2.287 378 V HA -0.316 3.806 4.120 0.004 0.000 0.248 378 V C 2.547 178.566 176.094 -0.126 0.000 1.053 378 V CA 2.135 64.298 62.300 -0.229 0.000 1.027 378 V CB -0.831 30.985 31.823 -0.012 0.000 0.646 378 V HN 0.392 nan 8.190 nan 0.000 0.447 379 Q N -0.396 119.396 119.800 -0.014 0.000 2.084 379 Q HA -0.148 4.194 4.340 0.004 0.000 0.202 379 Q C 2.452 178.474 176.000 0.037 0.000 0.978 379 Q CA 1.334 57.151 55.803 0.024 0.000 0.844 379 Q CB -0.473 28.302 28.738 0.062 0.000 0.898 379 Q HN 0.474 nan 8.270 nan 0.000 0.426 380 R N 0.100 120.656 120.500 0.092 0.000 2.075 380 R HA -0.035 4.307 4.340 0.004 0.000 0.232 380 R C 2.366 178.728 176.300 0.102 0.000 1.126 380 R CA 0.676 56.872 56.100 0.161 0.000 0.963 380 R CB -0.792 29.703 30.300 0.325 0.000 0.858 380 R HN 0.141 nan 8.270 nan 0.000 0.435 381 V N 2.147 122.046 119.914 -0.026 0.000 2.295 381 V HA -0.246 3.876 4.120 0.004 0.000 0.246 381 V C 1.944 177.960 176.094 -0.130 0.000 1.049 381 V CA 1.787 64.010 62.300 -0.128 0.000 1.024 381 V CB -0.501 31.140 31.823 -0.305 0.000 0.648 381 V HN 0.291 nan 8.190 nan 0.000 0.447 382 N N 0.537 119.187 118.700 -0.083 0.000 2.106 382 N HA -0.096 4.646 4.740 0.004 0.000 0.188 382 N C 1.884 177.374 175.510 -0.033 0.000 1.029 382 N CA 1.705 54.733 53.050 -0.036 0.000 0.848 382 N CB -0.571 37.907 38.487 -0.014 0.000 1.007 382 N HN 0.481 nan 8.380 nan 0.000 0.423 383 A N 1.221 124.032 122.820 -0.016 0.000 1.873 383 A HA -0.129 4.193 4.320 0.004 0.000 0.215 383 A C 1.772 179.347 177.584 -0.016 0.000 1.186 383 A CA 1.687 53.724 52.037 0.001 0.000 0.616 383 A CB -0.360 18.658 19.000 0.029 0.000 0.823 383 A HN 0.143 nan 8.150 nan 0.000 0.442 384 D N -0.309 120.068 120.400 -0.039 0.000 2.146 384 D HA 0.029 4.671 4.640 0.004 0.000 0.209 384 D C 2.019 178.183 176.300 -0.228 0.000 0.973 384 D CA 0.991 54.936 54.000 -0.091 0.000 0.860 384 D CB -0.361 40.416 40.800 -0.037 0.000 1.015 384 D HN 0.450 nan 8.370 nan 0.000 0.465 385 I N 0.607 120.941 120.570 -0.393 0.000 2.162 385 I HA -0.186 3.986 4.170 0.004 0.000 0.238 385 I C 2.427 178.382 176.117 -0.270 0.000 1.076 385 I CA 0.681 61.695 61.300 -0.476 0.000 1.353 385 I CB -0.246 37.276 38.000 -0.797 0.000 1.063 385 I HN -0.132 nan 8.210 nan 0.000 0.408 386 V N 1.176 120.980 119.914 -0.183 0.000 2.244 386 V HA -0.247 3.875 4.120 0.004 0.000 0.244 386 V C 1.857 177.943 176.094 -0.013 0.000 1.042 386 V CA 2.282 64.558 62.300 -0.039 0.000 1.006 386 V CB -0.875 30.967 31.823 0.031 0.000 0.641 386 V HN 0.403 nan 8.190 nan 0.000 0.446 387 N N -0.827 117.863 118.700 -0.017 0.000 2.446 387 N HA -0.021 4.721 4.740 0.004 0.000 0.179 387 N C 1.649 177.172 175.510 0.021 0.000 1.054 387 N CA 0.677 53.729 53.050 0.004 0.000 0.905 387 N CB 0.086 38.576 38.487 0.004 0.000 0.973 387 N HN 0.487 nan 8.380 nan 0.000 0.448 388 K N -0.722 119.687 120.400 0.015 0.000 2.266 388 K HA 0.198 4.520 4.320 0.004 0.000 0.209 388 K C 1.507 178.159 176.600 0.086 0.000 1.065 388 K CA 0.347 56.664 56.287 0.051 0.000 0.946 388 K CB 0.162 32.688 32.500 0.042 0.000 1.069 388 K HN -0.108 nan 8.250 nan 0.000 0.472 389 V N 1.302 121.252 119.914 0.061 0.000 2.256 389 V HA -0.154 3.968 4.120 0.004 0.000 0.240 389 V C 2.242 178.481 176.094 0.242 0.000 1.036 389 V CA 1.274 63.660 62.300 0.144 0.000 1.008 389 V CB -0.272 31.583 31.823 0.053 0.000 0.648 389 V HN 0.016 nan 8.190 nan 0.000 0.453 390 V N 1.239 121.235 119.914 0.137 0.000 2.469 390 V HA -0.297 3.825 4.120 0.004 0.000 0.251 390 V C 2.338 178.427 176.094 -0.008 0.000 1.064 390 V CA 2.308 64.665 62.300 0.095 0.000 1.066 390 V CB -1.135 30.724 31.823 0.060 0.000 0.667 390 V HN 0.692 nan 8.190 nan 0.000 0.461 391 N N 0.060 118.779 118.700 0.032 0.000 2.094 391 N HA -0.219 4.523 4.740 0.004 0.000 0.191 391 N C 1.901 177.424 175.510 0.022 0.000 1.023 391 N CA 1.388 54.453 53.050 0.026 0.000 0.857 391 N CB -0.081 38.432 38.487 0.044 0.000 1.013 391 N HN 0.324 nan 8.380 nan 0.000 0.426 392 L N 1.252 122.514 121.223 0.065 0.000 2.081 392 L HA -0.137 4.205 4.340 0.004 0.000 0.212 392 L C 2.368 179.207 176.870 -0.051 0.000 1.080 392 L CA 1.767 56.663 54.840 0.092 0.000 0.754 392 L CB -0.873 41.324 42.059 0.230 0.000 0.893 392 L HN 0.238 nan 8.230 nan 0.000 0.433 393 A N -1.646 120.958 122.820 -0.360 0.000 1.861 393 A HA -0.106 4.216 4.320 0.004 0.000 0.212 393 A C 2.409 179.878 177.584 -0.192 0.000 1.199 393 A CA 1.328 53.003 52.037 -0.603 0.000 0.613 393 A CB -0.856 17.195 19.000 -1.582 0.000 0.846 393 A HN 0.508 nan 8.150 nan 0.000 0.446 394 S N 1.081 116.733 115.700 -0.081 0.000 2.399 394 S HA -0.232 4.240 4.470 0.004 0.000 0.231 394 S C 1.914 176.497 174.600 -0.027 0.000 1.022 394 S CA 1.316 59.543 58.200 0.045 0.000 0.983 394 S CB -0.561 62.665 63.200 0.043 0.000 0.803 394 S HN 0.752 nan 8.310 nan 0.000 0.480 395 R N 0.975 121.480 120.500 0.008 0.000 2.275 395 R HA 0.222 4.564 4.340 0.004 0.000 0.199 395 R C 1.103 177.475 176.300 0.119 0.000 0.989 395 R CA 0.920 57.050 56.100 0.050 0.000 1.016 395 R CB -0.329 30.033 30.300 0.103 0.000 0.918 395 R HN 0.349 nan 8.270 nan 0.000 0.473 396 N N 0.618 119.389 118.700 0.118 0.000 2.445 396 N HA 0.118 4.860 4.740 0.004 0.000 0.204 396 N C 1.509 177.140 175.510 0.202 0.000 1.098 396 N CA 0.781 53.963 53.050 0.220 0.000 0.859 396 N CB 0.442 39.059 38.487 0.216 0.000 1.249 396 N HN 0.220 nan 8.380 nan 0.000 0.462 397 A N 1.280 124.180 122.820 0.134 0.000 1.908 397 A HA -0.041 4.281 4.320 0.004 0.000 0.218 397 A C 2.269 179.881 177.584 0.048 0.000 1.181 397 A CA 2.158 54.298 52.037 0.172 0.000 0.627 397 A CB -1.274 17.801 19.000 0.125 0.000 0.818 397 A HN 0.310 nan 8.150 nan 0.000 0.445 398 G N -0.954 107.762 108.800 -0.139 0.000 2.491 398 G HA2 -0.261 3.701 3.960 0.004 0.000 0.218 398 G HA3 -0.261 3.701 3.960 0.004 0.000 0.218 398 G C 1.445 176.273 174.900 -0.120 0.000 1.180 398 G CA 1.206 46.161 45.100 -0.240 0.000 0.774 398 G HN 0.509 nan 8.290 nan 0.000 0.562 399 F N 0.417 120.423 119.950 0.093 0.000 2.171 399 F HA -0.034 4.496 4.527 0.004 0.000 0.300 399 F C 2.673 178.633 175.800 0.266 0.000 1.090 399 F CA 0.223 58.315 58.000 0.154 0.000 1.293 399 F CB -0.069 39.053 39.000 0.203 0.000 1.013 399 F HN 0.032 nan 8.300 nan 0.000 0.486 400 I N 0.311 121.156 120.570 0.458 0.000 2.179 400 I HA -0.275 3.897 4.170 0.004 0.000 0.242 400 I C 2.010 178.320 176.117 0.321 0.000 1.088 400 I CA 1.406 62.976 61.300 0.450 0.000 1.357 400 I CB -1.289 36.899 38.000 0.313 0.000 1.051 400 I HN 0.206 nan 8.210 nan 0.000 0.409 401 N N 1.127 119.949 118.700 0.204 0.000 2.142 401 N HA -0.140 4.602 4.740 0.004 0.000 0.186 401 N C 1.784 177.334 175.510 0.066 0.000 1.023 401 N CA 1.141 54.264 53.050 0.122 0.000 0.852 401 N CB -0.104 38.425 38.487 0.069 0.000 0.998 401 N HN 0.452 nan 8.380 nan 0.000 0.424 402 K N 0.378 120.803 120.400 0.042 0.000 2.137 402 K HA 0.134 4.456 4.320 0.004 0.000 0.202 402 K C 1.785 178.348 176.600 -0.061 0.000 1.052 402 K CA 0.521 56.803 56.287 -0.008 0.000 0.961 402 K CB 0.292 32.779 32.500 -0.022 0.000 0.741 402 K HN 0.071 nan 8.250 nan 0.000 0.452 403 R N -0.396 120.036 120.500 -0.113 0.000 2.206 403 R HA 0.109 4.451 4.340 0.004 0.000 0.198 403 R C 0.711 176.522 176.300 -0.815 0.000 0.986 403 R CA 0.643 56.442 56.100 -0.502 0.000 1.029 403 R CB 0.373 30.228 30.300 -0.741 0.000 0.966 403 R HN 0.146 nan 8.270 nan 0.000 0.487 404 F N 1.045 121.035 119.950 0.067 0.000 2.814 404 F HA 0.273 4.802 4.527 0.003 0.000 0.326 404 F C -0.236 175.588 175.800 0.040 0.000 1.159 404 F CA -0.804 57.225 58.000 0.049 0.000 1.234 404 F CB 0.326 39.358 39.000 0.054 0.000 1.016 404 F HN -0.140 nan 8.300 nan 0.000 0.510 405 D N 0.633 121.101 120.400 0.112 0.000 2.811 405 D HA -0.226 4.416 4.640 0.004 0.000 0.231 405 D C 1.619 177.980 176.300 0.102 0.000 1.157 405 D CA 1.339 55.389 54.000 0.082 0.000 0.716 405 D CB -1.229 39.608 40.800 0.060 0.000 1.077 405 D HN 0.738 nan 8.370 nan 0.000 0.428 406 G N -1.608 107.279 108.800 0.145 0.000 2.168 406 G HA2 -0.339 3.623 3.960 0.004 0.000 0.263 406 G HA3 -0.339 3.623 3.960 0.004 0.000 0.263 406 G C 0.395 175.363 174.900 0.115 0.000 0.977 406 G CA 0.393 45.576 45.100 0.139 0.000 0.659 406 G HN 0.572 nan 8.290 nan 0.000 0.533 407 V N 1.887 121.879 119.914 0.130 0.000 2.432 407 V HA 0.526 4.648 4.120 0.004 0.000 0.275 407 V C 1.099 177.228 176.094 0.059 0.000 1.043 407 V CA -0.677 61.671 62.300 0.080 0.000 0.925 407 V CB 1.480 33.347 31.823 0.072 0.000 0.985 407 V HN 0.326 nan 8.190 nan 0.000 0.466 408 L N 3.893 125.139 121.223 0.038 0.000 2.436 408 L HA 0.531 4.873 4.340 0.004 0.000 0.265 408 L C 1.073 177.914 176.870 -0.049 0.000 1.168 408 L CA -0.225 54.613 54.840 -0.003 0.000 0.815 408 L CB 0.653 42.726 42.059 0.023 0.000 1.109 408 L HN 0.777 nan 8.230 nan 0.000 0.462 409 A N 1.345 124.103 122.820 -0.104 0.000 2.536 409 A HA 0.078 4.400 4.320 0.004 0.000 0.234 409 A C 1.231 178.767 177.584 -0.080 0.000 1.076 409 A CA 0.405 52.373 52.037 -0.115 0.000 0.769 409 A CB 0.134 19.052 19.000 -0.138 0.000 1.020 409 A HN 0.911 nan 8.150 nan 0.000 0.508 410 S N -0.172 115.486 115.700 -0.070 0.000 2.522 410 S HA 0.138 4.610 4.470 0.004 0.000 0.227 410 S C 0.227 174.784 174.600 -0.072 0.000 0.986 410 S CA 0.981 59.147 58.200 -0.057 0.000 0.929 410 S CB -0.195 62.980 63.200 -0.042 0.000 0.769 410 S HN 0.711 nan 8.310 nan 0.000 0.529 411 E N -0.112 120.036 120.200 -0.087 0.000 2.390 411 E HA 0.563 4.916 4.350 0.004 0.000 0.277 411 E C -1.365 175.161 176.600 -0.123 0.000 0.939 411 E CA -0.640 55.700 56.400 -0.100 0.000 0.769 411 E CB 1.418 31.073 29.700 -0.076 0.000 1.251 411 E HN 0.118 nan 8.360 nan 0.000 0.450 412 L N 1.943 123.072 121.223 -0.156 0.000 2.410 412 L HA 0.231 4.573 4.340 0.004 0.000 0.273 412 L C 1.235 178.035 176.870 -0.117 0.000 1.152 412 L CA -0.047 54.683 54.840 -0.184 0.000 0.855 412 L CB 0.706 42.611 42.059 -0.257 0.000 1.129 412 L HN 0.839 nan 8.230 nan 0.000 0.463 413 A N 2.359 125.122 122.820 -0.094 0.000 1.930 413 A HA -0.123 4.199 4.320 0.004 0.000 0.217 413 A C 0.911 178.479 177.584 -0.026 0.000 1.175 413 A CA 1.302 53.319 52.037 -0.033 0.000 0.627 413 A CB -0.108 18.915 19.000 0.039 0.000 0.815 413 A HN 0.762 nan 8.150 nan 0.000 0.443 414 D N -2.111 118.238 120.400 -0.085 0.000 2.400 414 D HA 0.345 4.987 4.640 0.004 0.000 0.272 414 D C -2.263 173.999 176.300 -0.063 0.000 1.220 414 D CA -1.820 52.137 54.000 -0.071 0.000 0.897 414 D CB 1.067 41.793 40.800 -0.123 0.000 1.134 414 D HN -0.038 nan 8.370 nan 0.000 0.507 415 P HA -0.167 nan 4.420 nan 0.000 0.216 415 P C 1.346 178.680 177.300 0.056 0.000 1.153 415 P CA 1.316 64.419 63.100 0.005 0.000 0.858 415 P CB 0.437 32.132 31.700 -0.008 0.000 0.789 416 Q N -1.108 118.713 119.800 0.036 0.000 2.050 416 Q HA -0.171 4.171 4.340 0.004 0.000 0.202 416 Q C 2.128 178.166 176.000 0.064 0.000 0.980 416 Q CA 1.086 56.918 55.803 0.048 0.000 0.840 416 Q CB -0.932 27.829 28.738 0.039 0.000 0.898 416 Q HN 0.174 nan 8.270 nan 0.000 0.424 417 L N -0.152 121.096 121.223 0.041 0.000 2.046 417 L HA -0.207 4.135 4.340 0.004 0.000 0.208 417 L C 2.153 179.071 176.870 0.081 0.000 1.077 417 L CA 1.768 56.637 54.840 0.049 0.000 0.747 417 L CB -0.721 41.286 42.059 -0.087 0.000 0.896 417 L HN 0.181 nan 8.230 nan 0.000 0.432 418 Y N 0.410 120.646 120.300 -0.107 0.000 2.181 418 Y HA -0.281 4.271 4.550 0.003 0.000 0.288 418 Y C 2.706 178.629 175.900 0.040 0.000 1.146 418 Y CA 2.313 60.348 58.100 -0.108 0.000 1.164 418 Y CB -0.147 38.225 38.460 -0.148 0.000 0.982 418 Y HN 0.258 nan 8.280 nan 0.000 0.515 419 K N -0.925 119.538 120.400 0.105 0.000 2.147 419 K HA -0.154 4.168 4.320 0.004 0.000 0.205 419 K C 1.870 178.488 176.600 0.031 0.000 1.049 419 K CA 1.795 58.114 56.287 0.053 0.000 0.936 419 K CB -0.200 32.342 32.500 0.069 0.000 0.722 419 K HN 0.266 nan 8.250 nan 0.000 0.446 420 T N 0.639 115.243 114.554 0.083 0.000 2.746 420 T HA -0.121 4.231 4.350 0.004 0.000 0.267 420 T C 1.380 176.102 174.700 0.035 0.000 1.039 420 T CA 1.372 63.513 62.100 0.068 0.000 1.142 420 T CB -0.269 68.667 68.868 0.113 0.000 0.866 420 T HN 0.137 nan 8.240 nan 0.000 0.444 421 F N 1.897 121.749 119.950 -0.162 0.000 2.113 421 F HA -0.083 4.447 4.527 0.003 0.000 0.297 421 F C 2.963 178.672 175.800 -0.152 0.000 1.103 421 F CA 1.421 59.316 58.000 -0.174 0.000 1.248 421 F CB -1.283 37.528 39.000 -0.316 0.000 0.999 421 F HN 0.226 nan 8.300 nan 0.000 0.475 422 T N -3.125 111.368 114.554 -0.102 0.000 2.867 422 T HA -0.140 4.212 4.350 0.004 0.000 0.268 422 T C 1.539 176.232 174.700 -0.011 0.000 1.057 422 T CA 1.384 63.428 62.100 -0.094 0.000 1.136 422 T CB -0.478 68.297 68.868 -0.154 0.000 0.874 422 T HN 0.043 nan 8.240 nan 0.000 0.466 423 D N 2.023 122.412 120.400 -0.019 0.000 2.263 423 D HA 0.093 4.736 4.640 0.004 0.000 0.208 423 D C 2.148 178.423 176.300 -0.042 0.000 0.971 423 D CA 1.088 55.078 54.000 -0.017 0.000 0.867 423 D CB -0.444 40.345 40.800 -0.018 0.000 0.929 423 D HN 0.612 nan 8.370 nan 0.000 0.492 424 A N 0.249 123.021 122.820 -0.080 0.000 2.206 424 A HA 0.239 4.561 4.320 0.004 0.000 0.211 424 A C 2.180 179.616 177.584 -0.248 0.000 1.158 424 A CA 1.067 52.998 52.037 -0.176 0.000 0.761 424 A CB -0.213 18.631 19.000 -0.261 0.000 0.801 424 A HN 0.171 nan 8.150 nan 0.000 0.473 425 A N 0.323 123.074 122.820 -0.114 0.000 1.908 425 A HA -0.222 4.100 4.320 0.004 0.000 0.218 425 A C 1.968 179.652 177.584 0.167 0.000 1.181 425 A CA 1.813 53.827 52.037 -0.038 0.000 0.627 425 A CB -0.481 18.585 19.000 0.109 0.000 0.818 425 A HN 0.665 nan 8.150 nan 0.000 0.445 426 E N -0.506 119.758 120.200 0.108 0.000 2.038 426 E HA -0.167 4.185 4.350 0.004 0.000 0.195 426 E C 1.947 178.559 176.600 0.021 0.000 1.000 426 E CA 1.616 58.080 56.400 0.105 0.000 0.803 426 E CB -0.227 29.508 29.700 0.058 0.000 0.750 426 E HN 0.335 nan 8.360 nan 0.000 0.448 427 V N 0.737 120.612 119.914 -0.064 0.000 2.358 427 V HA -0.197 3.926 4.120 0.004 0.000 0.246 427 V C 2.150 178.122 176.094 -0.204 0.000 1.047 427 V CA 1.571 63.797 62.300 -0.124 0.000 1.035 427 V CB -0.269 31.467 31.823 -0.146 0.000 0.658 427 V HN 0.333 nan 8.190 nan 0.000 0.452 428 I N 0.709 121.113 120.570 -0.276 0.000 2.226 428 I HA -0.120 4.052 4.170 0.004 0.000 0.245 428 I C 2.615 178.508 176.117 -0.373 0.000 1.100 428 I CA 1.623 62.656 61.300 -0.444 0.000 1.374 428 I CB -1.056 36.558 38.000 -0.643 0.000 1.057 428 I HN 0.446 nan 8.210 nan 0.000 0.413 429 G N 0.288 109.091 108.800 0.005 0.000 2.422 429 G HA2 -0.219 3.744 3.960 0.004 0.000 0.218 429 G HA3 -0.219 3.744 3.960 0.004 0.000 0.218 429 G C 1.513 176.291 174.900 -0.202 0.000 1.146 429 G CA 0.519 45.586 45.100 -0.056 0.000 0.769 429 G HN 0.410 nan 8.290 nan 0.000 0.547 430 E N 0.376 120.517 120.200 -0.099 0.000 2.150 430 E HA 0.028 4.380 4.350 0.004 0.000 0.193 430 E C 2.843 179.373 176.600 -0.116 0.000 0.985 430 E CA 0.650 57.007 56.400 -0.072 0.000 0.814 430 E CB -0.101 29.570 29.700 -0.050 0.000 0.752 430 E HN 0.431 nan 8.360 nan 0.000 0.466 431 A N 0.420 123.106 122.820 -0.224 0.000 1.897 431 A HA -0.140 4.183 4.320 0.004 0.000 0.215 431 A C 1.760 179.287 177.584 -0.095 0.000 1.181 431 A CA 0.795 52.693 52.037 -0.231 0.000 0.620 431 A CB -0.886 17.868 19.000 -0.409 0.000 0.821 431 A HN 0.372 nan 8.150 nan 0.000 0.443 432 W N -0.363 120.781 121.300 -0.261 0.000 2.379 432 W HA -0.122 4.541 4.660 0.004 0.000 0.307 432 W C 2.357 178.807 176.519 -0.116 0.000 1.200 432 W CA 0.961 58.103 57.345 -0.337 0.000 1.297 432 W CB -0.060 28.718 29.460 -1.136 0.000 1.140 432 W HN 0.466 nan 8.180 nan 0.000 0.507 433 E N 0.951 121.136 120.200 -0.026 0.000 2.058 433 E HA -0.236 4.117 4.350 0.004 0.000 0.194 433 E C 2.075 178.875 176.600 0.334 0.000 0.997 433 E CA 2.364 58.895 56.400 0.219 0.000 0.801 433 E CB -0.474 29.324 29.700 0.164 0.000 0.746 433 E HN 0.078 nan 8.360 nan 0.000 0.450 434 S N -0.763 115.013 115.700 0.126 0.000 2.603 434 S HA 0.083 4.555 4.470 0.004 0.000 0.220 434 S C 0.682 175.218 174.600 -0.108 0.000 0.967 434 S CA 0.424 58.621 58.200 -0.004 0.000 0.920 434 S CB -0.205 62.968 63.200 -0.044 0.000 0.773 434 S HN 0.388 nan 8.310 nan 0.000 0.529 435 R N 0.123 120.639 120.500 0.027 0.000 3.936 435 R HA -0.086 4.256 4.340 0.004 0.000 0.366 435 R C -1.103 175.037 176.300 -0.266 0.000 1.158 435 R CA 1.096 57.047 56.100 -0.247 0.000 0.969 435 R CB -1.820 28.098 30.300 -0.637 0.000 1.504 435 R HN 0.402 nan 8.270 nan 0.000 0.538 436 E N 0.766 120.952 120.200 -0.023 0.000 2.110 436 E HA 0.059 4.411 4.350 0.004 0.000 0.300 436 E C 0.690 177.355 176.600 0.108 0.000 1.278 436 E CA 0.021 56.395 56.400 -0.044 0.000 1.365 436 E CB -0.355 29.292 29.700 -0.089 0.000 1.283 436 E HN 0.369 nan 8.360 nan 0.000 0.490 437 F N 0.235 120.173 119.950 -0.020 0.000 2.095 437 F HA -0.188 4.341 4.527 0.003 0.000 0.298 437 F C 2.408 178.145 175.800 -0.106 0.000 1.104 437 F CA 0.647 58.685 58.000 0.063 0.000 1.232 437 F CB -0.081 39.058 39.000 0.232 0.000 0.987 437 F HN 0.407 nan 8.300 nan 0.000 0.475 438 G N 0.238 109.099 108.800 0.101 0.000 2.469 438 G HA2 -0.323 3.639 3.960 0.004 0.000 0.219 438 G HA3 -0.323 3.639 3.960 0.004 0.000 0.219 438 G C 1.555 176.396 174.900 -0.099 0.000 1.150 438 G CA 1.019 46.104 45.100 -0.026 0.000 0.763 438 G HN 0.261 nan 8.290 nan 0.000 0.561 439 K N 0.551 120.877 120.400 -0.123 0.000 2.026 439 K HA 0.050 4.372 4.320 0.004 0.000 0.208 439 K C 2.836 179.270 176.600 -0.277 0.000 1.048 439 K CA 1.238 57.420 56.287 -0.174 0.000 0.929 439 K CB -0.343 32.057 32.500 -0.167 0.000 0.713 439 K HN 0.200 nan 8.250 nan 0.000 0.439 440 A N 0.788 123.342 122.820 -0.442 0.000 1.883 440 A HA -0.132 4.190 4.320 0.004 0.000 0.217 440 A C 2.254 179.537 177.584 -0.501 0.000 1.186 440 A CA 1.812 53.392 52.037 -0.762 0.000 0.624 440 A CB -0.734 17.197 19.000 -1.782 0.000 0.822 440 A HN 0.191 nan 8.150 nan 0.000 0.444 441 V N -0.162 119.566 119.914 -0.309 0.000 2.343 441 V HA -0.265 3.857 4.120 0.004 0.000 0.247 441 V C 2.635 178.689 176.094 -0.065 0.000 1.051 441 V CA 2.223 64.475 62.300 -0.080 0.000 1.036 441 V CB -0.818 30.986 31.823 -0.031 0.000 0.654 441 V HN 0.515 nan 8.190 nan 0.000 0.451 442 R N -0.250 120.187 120.500 -0.104 0.000 2.091 442 R HA -0.228 4.114 4.340 0.004 0.000 0.238 442 R C 2.403 178.642 176.300 -0.102 0.000 1.136 442 R CA 1.864 57.915 56.100 -0.082 0.000 0.959 442 R CB -0.287 29.959 30.300 -0.090 0.000 0.856 442 R HN 0.503 nan 8.270 nan 0.000 0.437 443 E N 1.001 121.103 120.200 -0.163 0.000 2.077 443 E HA -0.133 4.219 4.350 0.004 0.000 0.193 443 E C 1.756 178.251 176.600 -0.175 0.000 0.989 443 E CA 1.258 57.543 56.400 -0.191 0.000 0.800 443 E CB -0.153 29.387 29.700 -0.266 0.000 0.746 443 E HN 0.286 nan 8.360 nan 0.000 0.452 444 I N -0.113 120.372 120.570 -0.142 0.000 2.179 444 I HA -0.252 3.920 4.170 0.004 0.000 0.242 444 I C 2.127 178.242 176.117 -0.003 0.000 1.088 444 I CA 0.893 62.167 61.300 -0.043 0.000 1.357 444 I CB -0.285 37.752 38.000 0.061 0.000 1.051 444 I HN 0.211 nan 8.210 nan 0.000 0.409 445 M N 0.267 119.876 119.600 0.015 0.000 2.296 445 M HA -0.086 4.396 4.480 0.004 0.000 0.265 445 M C 2.526 178.831 176.300 0.007 0.000 1.064 445 M CA 1.442 56.765 55.300 0.038 0.000 1.109 445 M CB -1.335 31.304 32.600 0.065 0.000 1.396 445 M HN 0.281 nan 8.290 nan 0.000 0.430 446 A N 0.257 123.054 122.820 -0.039 0.000 1.930 446 A HA -0.097 4.225 4.320 0.004 0.000 0.217 446 A C 2.298 179.834 177.584 -0.080 0.000 1.175 446 A CA 1.145 53.149 52.037 -0.054 0.000 0.627 446 A CB -0.770 18.178 19.000 -0.087 0.000 0.815 446 A HN 0.456 nan 8.150 nan 0.000 0.443 447 L N -0.896 120.230 121.223 -0.162 0.000 2.093 447 L HA -0.160 4.182 4.340 0.004 0.000 0.208 447 L C 3.105 179.982 176.870 0.012 0.000 1.085 447 L CA 0.910 55.547 54.840 -0.339 0.000 0.755 447 L CB -0.547 41.132 42.059 -0.634 0.000 0.904 447 L HN 0.444 nan 8.230 nan 0.000 0.435 448 A N 0.055 122.927 122.820 0.086 0.000 1.908 448 A HA -0.247 4.075 4.320 0.004 0.000 0.218 448 A C 1.925 179.613 177.584 0.173 0.000 1.181 448 A CA 2.052 54.196 52.037 0.178 0.000 0.627 448 A CB -0.532 18.542 19.000 0.123 0.000 0.818 448 A HN 0.366 nan 8.150 nan 0.000 0.445 449 D N -0.269 120.199 120.400 0.113 0.000 2.117 449 D HA -0.133 4.510 4.640 0.004 0.000 0.197 449 D C 1.920 178.309 176.300 0.148 0.000 0.987 449 D CA 1.030 55.096 54.000 0.109 0.000 0.829 449 D CB -0.388 40.453 40.800 0.069 0.000 0.961 449 D HN 0.450 nan 8.370 nan 0.000 0.460 450 L N 0.552 121.872 121.223 0.163 0.000 2.046 450 L HA -0.173 4.169 4.340 0.004 0.000 0.208 450 L C 2.278 179.347 176.870 0.330 0.000 1.077 450 L CA 1.324 56.297 54.840 0.220 0.000 0.747 450 L CB -0.150 42.024 42.059 0.191 0.000 0.896 450 L HN -0.045 nan 8.230 nan 0.000 0.432 451 A N -0.160 122.913 122.820 0.423 0.000 1.902 451 A HA -0.219 4.103 4.320 0.004 0.000 0.217 451 A C 1.961 179.725 177.584 0.300 0.000 1.181 451 A CA 1.813 54.059 52.037 0.348 0.000 0.623 451 A CB -0.645 18.554 19.000 0.332 0.000 0.818 451 A HN 0.553 nan 8.150 nan 0.000 0.443 452 N N -0.693 118.153 118.700 0.243 0.000 2.244 452 N HA -0.129 4.613 4.740 0.004 0.000 0.183 452 N C 1.887 177.509 175.510 0.187 0.000 1.016 452 N CA 1.173 54.343 53.050 0.200 0.000 0.866 452 N CB -0.294 38.285 38.487 0.153 0.000 0.980 452 N HN 0.612 nan 8.380 nan 0.000 0.430 453 R N 0.095 120.708 120.500 0.188 0.000 2.092 453 R HA -0.152 4.190 4.340 0.004 0.000 0.231 453 R C 2.221 178.615 176.300 0.157 0.000 1.119 453 R CA 0.899 57.093 56.100 0.156 0.000 0.970 453 R CB -0.343 30.043 30.300 0.144 0.000 0.864 453 R HN 0.217 nan 8.270 nan 0.000 0.440 454 Y N 0.737 121.099 120.300 0.103 0.000 2.128 454 Y HA -0.226 4.326 4.550 0.004 0.000 0.284 454 Y C 1.876 177.818 175.900 0.071 0.000 1.154 454 Y CA 1.865 60.010 58.100 0.075 0.000 1.149 454 Y CB -0.456 38.041 38.460 0.062 0.000 0.976 454 Y HN -0.140 nan 8.280 nan 0.000 0.505 455 V N 0.829 120.732 119.914 -0.018 0.000 2.343 455 V HA -0.287 3.835 4.120 0.004 0.000 0.247 455 V C 2.068 178.157 176.094 -0.008 0.000 1.051 455 V CA 2.170 64.429 62.300 -0.067 0.000 1.036 455 V CB -0.744 31.181 31.823 0.171 0.000 0.654 455 V HN 0.393 nan 8.190 nan 0.000 0.451 456 D N 0.029 120.503 120.400 0.123 0.000 2.117 456 D HA -0.166 4.476 4.640 0.004 0.000 0.197 456 D C 2.234 178.564 176.300 0.050 0.000 0.987 456 D CA 1.315 55.464 54.000 0.248 0.000 0.829 456 D CB -0.194 40.740 40.800 0.223 0.000 0.961 456 D HN 0.563 nan 8.370 nan 0.000 0.460 457 E N 0.091 120.256 120.200 -0.057 0.000 2.110 457 E HA -0.147 4.206 4.350 0.004 0.000 0.193 457 E C 1.955 178.414 176.600 -0.236 0.000 0.988 457 E CA 0.685 57.016 56.400 -0.116 0.000 0.804 457 E CB 0.095 29.741 29.700 -0.090 0.000 0.745 457 E HN 0.231 nan 8.360 nan 0.000 0.458 458 Q N -0.579 118.998 119.800 -0.371 0.000 2.389 458 Q HA 0.116 4.458 4.340 0.004 0.000 0.204 458 Q C 0.586 176.311 176.000 -0.458 0.000 0.944 458 Q CA 0.655 56.216 55.803 -0.403 0.000 0.908 458 Q CB 0.411 28.840 28.738 -0.514 0.000 1.002 458 Q HN 0.245 nan 8.270 nan 0.000 0.493 459 A N 2.443 124.895 122.820 -0.613 0.000 2.203 459 A HA -0.148 4.174 4.320 0.004 0.000 0.279 459 A C -1.238 175.747 177.584 -0.998 0.000 1.396 459 A CA 0.574 51.806 52.037 -1.342 0.000 0.747 459 A CB -1.143 17.078 19.000 -1.299 0.000 1.151 459 A HN 0.245 nan 8.150 nan 0.000 0.345 460 P HA -0.183 nan 4.420 nan 0.000 0.219 460 P C 1.338 178.503 177.300 -0.223 0.000 1.146 460 P CA 1.838 64.772 63.100 -0.277 0.000 0.808 460 P CB -0.384 31.297 31.700 -0.033 0.000 0.779 461 W N -0.292 121.013 121.300 0.007 0.000 2.465 461 W HA 0.028 4.690 4.660 0.003 0.000 0.268 461 W C 1.455 177.973 176.519 -0.000 0.000 1.242 461 W CA 0.286 57.673 57.345 0.069 0.000 1.248 461 W CB -1.611 27.911 29.460 0.103 0.000 1.118 461 W HN -0.297 nan 8.180 nan 0.000 0.587 462 V N 0.955 120.528 119.914 -0.568 0.000 2.426 462 V HA -0.193 3.929 4.120 0.004 0.000 0.242 462 V C 2.368 178.313 176.094 -0.250 0.000 1.036 462 V CA 1.550 63.631 62.300 -0.365 0.000 1.044 462 V CB -0.720 30.804 31.823 -0.499 0.000 0.688 462 V HN 0.113 nan 8.190 nan 0.000 0.462 463 V N 0.906 120.631 119.914 -0.315 0.000 2.392 463 V HA -0.283 3.840 4.120 0.004 0.000 0.249 463 V C 2.756 178.727 176.094 -0.205 0.000 1.059 463 V CA 2.017 64.175 62.300 -0.237 0.000 1.051 463 V CB -1.277 30.395 31.823 -0.252 0.000 0.658 463 V HN 0.547 nan 8.190 nan 0.000 0.455 464 A N 1.116 123.772 122.820 -0.273 0.000 1.978 464 A HA -0.253 4.069 4.320 0.004 0.000 0.220 464 A C 2.176 179.702 177.584 -0.098 0.000 1.170 464 A CA 2.122 53.998 52.037 -0.269 0.000 0.636 464 A CB -0.430 18.318 19.000 -0.421 0.000 0.810 464 A HN 0.766 nan 8.150 nan 0.000 0.448 465 K N -0.357 120.009 120.400 -0.057 0.000 2.417 465 K HA 0.132 4.454 4.320 0.004 0.000 0.196 465 K C -0.105 176.478 176.600 -0.029 0.000 1.023 465 K CA -0.080 56.198 56.287 -0.015 0.000 1.122 465 K CB 0.123 32.634 32.500 0.019 0.000 0.850 465 K HN 0.545 nan 8.250 nan 0.000 0.521 466 Q N 1.636 121.404 119.800 -0.053 0.000 2.290 466 Q HA 0.226 4.568 4.340 0.004 0.000 0.259 466 Q C -0.602 175.375 176.000 -0.039 0.000 0.941 466 Q CA -0.355 55.420 55.803 -0.047 0.000 0.912 466 Q CB 1.512 30.212 28.738 -0.064 0.000 1.244 466 Q HN 0.347 nan 8.270 nan 0.000 0.441 467 E N 0.739 120.923 120.200 -0.028 0.000 2.452 467 E HA 0.281 4.633 4.350 0.004 0.000 0.261 467 E C 1.073 177.661 176.600 -0.020 0.000 0.987 467 E CA 0.397 56.784 56.400 -0.021 0.000 0.926 467 E CB -0.189 29.501 29.700 -0.016 0.000 0.934 467 E HN 0.907 nan 8.360 nan 0.000 0.452 468 G N 1.887 110.679 108.800 -0.014 0.000 2.168 468 G HA2 -0.284 3.678 3.960 0.004 0.000 0.263 468 G HA3 -0.284 3.678 3.960 0.004 0.000 0.263 468 G C 1.061 175.957 174.900 -0.006 0.000 0.977 468 G CA 0.541 45.636 45.100 -0.007 0.000 0.659 468 G HN 0.556 nan 8.290 nan 0.000 0.533 469 R N 0.345 120.837 120.500 -0.014 0.000 2.426 469 R HA 0.211 4.553 4.340 0.004 0.000 0.263 469 R C 1.400 177.709 176.300 0.015 0.000 0.961 469 R CA 0.599 56.688 56.100 -0.020 0.000 1.086 469 R CB -0.203 30.064 30.300 -0.055 0.000 1.186 469 R HN 0.481 nan 8.270 nan 0.000 0.537 470 D N 1.504 121.941 120.400 0.063 0.000 2.116 470 D HA -0.194 4.448 4.640 0.004 0.000 0.193 470 D C 1.882 178.317 176.300 0.225 0.000 0.998 470 D CA 1.975 56.095 54.000 0.201 0.000 0.836 470 D CB 0.027 40.940 40.800 0.187 0.000 0.951 470 D HN 0.200 nan 8.370 nan 0.000 0.449 471 A N 0.980 123.858 122.820 0.097 0.000 1.883 471 A HA -0.234 4.088 4.320 0.004 0.000 0.217 471 A C 1.758 179.303 177.584 -0.066 0.000 1.186 471 A CA 1.946 53.985 52.037 0.003 0.000 0.624 471 A CB -0.565 18.434 19.000 -0.001 0.000 0.822 471 A HN 0.087 nan 8.150 nan 0.000 0.444 472 D N -0.520 119.852 120.400 -0.045 0.000 2.144 472 D HA -0.116 4.526 4.640 0.004 0.000 0.199 472 D C 1.842 178.084 176.300 -0.096 0.000 0.984 472 D CA 1.241 55.199 54.000 -0.071 0.000 0.834 472 D CB -0.432 40.326 40.800 -0.070 0.000 0.955 472 D HN 0.360 nan 8.370 nan 0.000 0.465 473 L N 1.015 122.193 121.223 -0.076 0.000 2.017 473 L HA -0.174 4.168 4.340 0.004 0.000 0.208 473 L C 2.305 179.082 176.870 -0.155 0.000 1.073 473 L CA 1.780 56.565 54.840 -0.093 0.000 0.745 473 L CB -0.739 41.315 42.059 -0.008 0.000 0.894 473 L HN -0.033 nan 8.230 nan 0.000 0.432 474 Q N -0.861 118.685 119.800 -0.423 0.000 2.124 474 Q HA -0.223 4.120 4.340 0.004 0.000 0.202 474 Q C 2.070 177.860 176.000 -0.350 0.000 0.977 474 Q CA 1.790 57.103 55.803 -0.816 0.000 0.850 474 Q CB -0.177 27.635 28.738 -1.543 0.000 0.901 474 Q HN 0.660 nan 8.270 nan 0.000 0.429 475 A N 0.903 123.586 122.820 -0.229 0.000 1.858 475 A HA -0.176 4.146 4.320 0.004 0.000 0.216 475 A C 1.999 179.565 177.584 -0.030 0.000 1.190 475 A CA 1.455 53.423 52.037 -0.116 0.000 0.617 475 A CB -0.713 18.238 19.000 -0.080 0.000 0.827 475 A HN 0.470 nan 8.150 nan 0.000 0.443 476 I N -0.443 120.121 120.570 -0.010 0.000 2.127 476 I HA -0.346 3.826 4.170 0.004 0.000 0.241 476 I C 2.519 178.714 176.117 0.131 0.000 1.075 476 I CA 1.417 62.765 61.300 0.080 0.000 1.334 476 I CB -0.520 37.457 38.000 -0.037 0.000 1.040 476 I HN 0.386 nan 8.210 nan 0.000 0.405 477 C N -0.029 119.317 119.300 0.076 0.000 2.435 477 C HA -0.098 4.365 4.460 0.004 0.000 0.279 477 C C 3.152 178.213 174.990 0.117 0.000 1.321 477 C CA 0.973 60.077 59.018 0.143 0.000 1.752 477 C CB -0.959 26.901 27.740 0.200 0.000 1.959 477 C HN 0.486 nan 8.230 nan 0.000 0.500 478 S N 0.642 116.365 115.700 0.037 0.000 2.383 478 S HA -0.175 4.297 4.470 0.004 0.000 0.227 478 S C 1.790 176.393 174.600 0.006 0.000 1.026 478 S CA 1.551 59.758 58.200 0.011 0.000 0.981 478 S CB -0.381 62.783 63.200 -0.060 0.000 0.818 478 S HN 0.564 nan 8.310 nan 0.000 0.472 479 M N 2.363 121.969 119.600 0.009 0.000 2.080 479 M HA -0.006 4.476 4.480 0.004 0.000 0.260 479 M C 2.003 178.292 176.300 -0.019 0.000 1.068 479 M CA 1.785 57.053 55.300 -0.054 0.000 1.109 479 M CB -1.283 31.284 32.600 -0.054 0.000 1.342 479 M HN 0.283 nan 8.290 nan 0.000 0.405 480 G N -0.150 108.725 108.800 0.125 0.000 2.418 480 G HA2 -0.181 3.781 3.960 0.004 0.000 0.217 480 G HA3 -0.181 3.781 3.960 0.004 0.000 0.217 480 G C 1.586 176.576 174.900 0.151 0.000 1.158 480 G CA 1.186 46.380 45.100 0.157 0.000 0.771 480 G HN 0.545 nan 8.290 nan 0.000 0.545 481 I N 0.750 121.416 120.570 0.160 0.000 2.286 481 I HA -0.150 4.022 4.170 0.004 0.000 0.248 481 I C 2.481 178.720 176.117 0.204 0.000 1.115 481 I CA 0.661 62.095 61.300 0.224 0.000 1.392 481 I CB -0.153 37.978 38.000 0.218 0.000 1.065 481 I HN 0.104 nan 8.210 nan 0.000 0.418 482 N N 0.674 119.422 118.700 0.079 0.000 2.270 482 N HA -0.058 4.684 4.740 0.004 0.000 0.181 482 N C 1.960 177.529 175.510 0.098 0.000 1.016 482 N CA 1.083 54.164 53.050 0.051 0.000 0.870 482 N CB -0.010 38.429 38.487 -0.079 0.000 0.979 482 N HN 0.340 nan 8.380 nan 0.000 0.431 483 L N -0.366 120.853 121.223 -0.006 0.000 2.093 483 L HA -0.118 4.224 4.340 0.004 0.000 0.208 483 L C 2.231 179.119 176.870 0.031 0.000 1.085 483 L CA 0.772 55.491 54.840 -0.201 0.000 0.755 483 L CB -0.476 41.316 42.059 -0.445 0.000 0.904 483 L HN 0.060 nan 8.230 nan 0.000 0.435 484 F N 0.881 120.830 119.950 -0.002 0.000 2.134 484 F HA -0.222 4.307 4.527 0.004 0.000 0.299 484 F C 2.818 178.622 175.800 0.007 0.000 1.097 484 F CA 1.416 59.442 58.000 0.043 0.000 1.264 484 F CB -0.309 38.747 39.000 0.094 0.000 1.001 484 F HN -0.104 nan 8.300 nan 0.000 0.479 485 R N 0.901 121.403 120.500 0.004 0.000 2.096 485 R HA -0.156 4.186 4.340 0.004 0.000 0.240 485 R C 2.112 178.243 176.300 -0.280 0.000 1.139 485 R CA 2.183 58.191 56.100 -0.154 0.000 0.952 485 R CB -1.095 29.177 30.300 -0.048 0.000 0.854 485 R HN 0.347 nan 8.270 nan 0.000 0.436 486 V N 1.595 121.362 119.914 -0.244 0.000 2.307 486 V HA -0.233 3.890 4.120 0.004 0.000 0.245 486 V C 2.630 178.373 176.094 -0.585 0.000 1.045 486 V CA 1.652 63.680 62.300 -0.453 0.000 1.024 486 V CB -0.466 31.137 31.823 -0.366 0.000 0.651 486 V HN 0.254 nan 8.190 nan 0.000 0.449 487 L N -1.101 119.964 121.223 -0.264 0.000 2.046 487 L HA -0.201 4.141 4.340 0.004 0.000 0.208 487 L C 2.602 179.348 176.870 -0.207 0.000 1.077 487 L CA 1.319 56.082 54.840 -0.129 0.000 0.747 487 L CB -0.542 41.532 42.059 0.025 0.000 0.896 487 L HN 0.291 nan 8.230 nan 0.000 0.432 488 M N -0.827 118.531 119.600 -0.403 0.000 2.374 488 M HA -0.121 4.361 4.480 0.004 0.000 0.264 488 M C 2.250 178.421 176.300 -0.215 0.000 1.067 488 M CA 1.532 56.609 55.300 -0.372 0.000 1.103 488 M CB -1.312 30.904 32.600 -0.639 0.000 1.402 488 M HN 0.229 nan 8.290 nan 0.000 0.444 489 T N -0.399 113.981 114.554 -0.290 0.000 2.812 489 T HA -0.116 4.236 4.350 0.004 0.000 0.264 489 T C 1.572 176.268 174.700 -0.007 0.000 1.042 489 T CA 1.113 63.081 62.100 -0.220 0.000 1.140 489 T CB -0.270 68.342 68.868 -0.427 0.000 0.870 489 T HN 0.216 nan 8.240 nan 0.000 0.445 490 Y N 1.063 121.356 120.300 -0.011 0.000 2.352 490 Y HA 0.166 4.718 4.550 0.003 0.000 0.292 490 Y C 1.943 178.071 175.900 0.380 0.000 1.136 490 Y CA -0.129 58.105 58.100 0.225 0.000 1.227 490 Y CB -0.698 37.827 38.460 0.108 0.000 0.991 490 Y HN 0.191 nan 8.280 nan 0.000 0.545 491 L N -0.498 120.913 121.223 0.314 0.000 2.592 491 L HA 0.032 4.374 4.340 0.004 0.000 0.227 491 L C 2.226 179.144 176.870 0.079 0.000 1.127 491 L CA 0.203 55.177 54.840 0.224 0.000 0.884 491 L CB -0.193 41.953 42.059 0.144 0.000 1.065 491 L HN 0.040 nan 8.230 nan 0.000 0.457 492 K N 1.434 121.874 120.400 0.067 0.000 2.074 492 K HA -0.181 4.141 4.320 0.004 0.000 0.209 492 K C -0.680 175.893 176.600 -0.045 0.000 1.048 492 K CA 1.597 57.895 56.287 0.017 0.000 0.926 492 K CB -0.537 31.988 32.500 0.042 0.000 0.713 492 K HN 0.164 nan 8.250 nan 0.000 0.444 493 P HA -0.090 nan 4.420 nan 0.000 0.223 493 P C 0.909 178.039 177.300 -0.285 0.000 1.151 493 P CA 0.835 63.763 63.100 -0.286 0.000 0.787 493 P CB 0.242 31.591 31.700 -0.585 0.000 0.788 494 V N -1.449 118.323 119.914 -0.237 0.000 2.500 494 V HA 0.009 4.131 4.120 0.004 0.000 0.243 494 V C 1.250 177.370 176.094 0.043 0.000 1.039 494 V CA 1.089 63.324 62.300 -0.108 0.000 1.053 494 V CB -0.556 31.265 31.823 -0.004 0.000 0.695 494 V HN -0.000 nan 8.190 nan 0.000 0.463 495 L N 0.858 122.115 121.223 0.056 0.000 2.502 495 L HA 0.322 4.664 4.340 0.004 0.000 0.247 495 L C -1.987 174.931 176.870 0.080 0.000 1.180 495 L CA -1.349 53.551 54.840 0.098 0.000 0.956 495 L CB 1.237 43.353 42.059 0.094 0.000 1.282 495 L HN 0.107 nan 8.230 nan 0.000 0.470 496 P HA -0.172 nan 4.420 nan 0.000 0.216 496 P C 1.351 178.698 177.300 0.079 0.000 1.153 496 P CA 1.198 64.338 63.100 0.067 0.000 0.858 496 P CB 0.307 32.050 31.700 0.071 0.000 0.789 497 K N -0.756 119.705 120.400 0.101 0.000 2.031 497 K HA -0.048 4.274 4.320 0.004 0.000 0.205 497 K C 1.994 178.662 176.600 0.114 0.000 1.049 497 K CA 0.898 57.245 56.287 0.100 0.000 0.939 497 K CB -1.491 31.070 32.500 0.102 0.000 0.717 497 K HN 0.107 nan 8.250 nan 0.000 0.438 498 L N 1.679 122.993 121.223 0.152 0.000 2.131 498 L HA -0.127 4.215 4.340 0.004 0.000 0.210 498 L C 1.874 178.811 176.870 0.111 0.000 1.092 498 L CA 1.910 56.849 54.840 0.166 0.000 0.759 498 L CB -0.964 41.213 42.059 0.195 0.000 0.903 498 L HN 0.123 nan 8.230 nan 0.000 0.435 499 T N -0.407 114.193 114.554 0.077 0.000 2.746 499 T HA -0.155 4.197 4.350 0.004 0.000 0.267 499 T C 1.666 176.401 174.700 0.059 0.000 1.039 499 T CA 1.670 63.796 62.100 0.043 0.000 1.142 499 T CB -0.172 68.710 68.868 0.024 0.000 0.866 499 T HN 0.505 nan 8.240 nan 0.000 0.444 500 E N 0.937 121.177 120.200 0.068 0.000 2.051 500 E HA -0.110 4.242 4.350 0.004 0.000 0.192 500 E C 2.577 179.229 176.600 0.086 0.000 0.991 500 E CA 0.832 57.273 56.400 0.069 0.000 0.799 500 E CB -0.124 29.615 29.700 0.065 0.000 0.748 500 E HN 0.412 nan 8.360 nan 0.000 0.449 501 R N 0.498 121.054 120.500 0.094 0.000 2.096 501 R HA -0.081 4.261 4.340 0.004 0.000 0.235 501 R C 2.386 178.766 176.300 0.132 0.000 1.127 501 R CA 1.055 57.217 56.100 0.102 0.000 0.968 501 R CB -0.307 30.046 30.300 0.088 0.000 0.861 501 R HN 0.106 nan 8.270 nan 0.000 0.440 502 A N 1.551 124.465 122.820 0.156 0.000 1.898 502 A HA -0.181 4.141 4.320 0.004 0.000 0.216 502 A C 1.890 179.609 177.584 0.224 0.000 1.181 502 A CA 1.300 53.501 52.037 0.273 0.000 0.620 502 A CB -0.273 18.855 19.000 0.213 0.000 0.819 502 A HN 0.322 nan 8.150 nan 0.000 0.442 503 E N -0.158 120.112 120.200 0.118 0.000 2.150 503 E HA -0.066 4.287 4.350 0.004 0.000 0.193 503 E C 2.247 178.900 176.600 0.088 0.000 0.985 503 E CA 0.813 57.258 56.400 0.073 0.000 0.814 503 E CB -0.266 29.462 29.700 0.047 0.000 0.752 503 E HN 0.625 nan 8.360 nan 0.000 0.466 504 A N 1.287 124.180 122.820 0.120 0.000 1.898 504 A HA -0.172 4.150 4.320 0.004 0.000 0.216 504 A C 1.981 179.674 177.584 0.181 0.000 1.181 504 A CA 1.064 53.179 52.037 0.130 0.000 0.620 504 A CB -0.640 18.439 19.000 0.132 0.000 0.819 504 A HN 0.364 nan 8.150 nan 0.000 0.442 505 F N 0.801 120.795 119.950 0.074 0.000 2.102 505 F HA -0.081 4.448 4.527 0.003 0.000 0.298 505 F C 1.664 177.542 175.800 0.130 0.000 1.105 505 F CA 1.625 59.682 58.000 0.096 0.000 1.239 505 F CB -0.553 38.407 39.000 -0.067 0.000 0.991 505 F HN 0.107 nan 8.300 nan 0.000 0.474 506 L N 0.332 121.350 121.223 -0.343 0.000 2.465 506 L HA -0.062 4.280 4.340 0.004 0.000 0.224 506 L C 0.488 177.341 176.870 -0.029 0.000 1.145 506 L CA 1.077 55.685 54.840 -0.387 0.000 0.834 506 L CB -1.061 40.878 42.059 -0.199 0.000 0.944 506 L HN 0.310 nan 8.230 nan 0.000 0.451 507 N N -0.406 118.306 118.700 0.020 0.000 2.758 507 N HA -0.180 4.562 4.740 0.004 0.000 0.248 507 N C -0.145 175.437 175.510 0.120 0.000 1.076 507 N CA 0.776 53.872 53.050 0.077 0.000 0.696 507 N CB -0.534 37.974 38.487 0.035 0.000 0.979 507 N HN 0.318 nan 8.380 nan 0.000 0.550 508 T N -0.901 113.687 114.554 0.057 0.000 2.977 508 T HA 0.167 4.519 4.350 0.004 0.000 0.345 508 T C -1.660 173.043 174.700 0.005 0.000 1.562 508 T CA -0.751 61.366 62.100 0.028 0.000 1.090 508 T CB 1.554 70.404 68.868 -0.029 0.000 1.383 508 T HN 0.257 nan 8.240 nan 0.000 0.484 509 E N 3.962 124.165 120.200 0.005 0.000 2.338 509 E HA 0.418 4.770 4.350 0.004 0.000 0.272 509 E C -0.688 175.902 176.600 -0.017 0.000 1.029 509 E CA -0.516 55.886 56.400 0.003 0.000 0.872 509 E CB 0.559 30.266 29.700 0.011 0.000 1.015 509 E HN 0.545 nan 8.360 nan 0.000 0.417 510 L N 4.778 125.988 121.223 -0.021 0.000 2.260 510 L HA 0.283 4.625 4.340 0.004 0.000 0.289 510 L C 0.356 177.220 176.870 -0.010 0.000 1.057 510 L CA -0.487 54.328 54.840 -0.043 0.000 0.811 510 L CB 0.965 42.983 42.059 -0.067 0.000 1.184 510 L HN 0.652 nan 8.230 nan 0.000 0.429 511 T N -1.893 112.655 114.554 -0.009 0.000 2.912 511 T HA 0.169 4.521 4.350 0.004 0.000 0.288 511 T C 0.772 175.516 174.700 0.074 0.000 1.030 511 T CA -0.746 61.381 62.100 0.046 0.000 1.020 511 T CB 1.760 70.649 68.868 0.035 0.000 1.056 511 T HN 0.644 nan 8.240 nan 0.000 0.480 512 W N 1.620 122.902 121.300 -0.031 0.000 2.335 512 W HA -0.156 4.507 4.660 0.004 0.000 0.311 512 W C 0.699 177.227 176.519 0.015 0.000 1.213 512 W CA 2.028 59.380 57.345 0.011 0.000 1.274 512 W CB -0.188 29.274 29.460 0.003 0.000 1.148 512 W HN 0.769 nan 8.180 nan 0.000 0.498 513 D N -0.734 119.769 120.400 0.173 0.000 2.277 513 D HA -0.048 4.594 4.640 0.004 0.000 0.208 513 D C 2.272 178.572 176.300 -0.001 0.000 0.962 513 D CA 1.322 55.371 54.000 0.082 0.000 0.865 513 D CB -0.962 39.899 40.800 0.100 0.000 0.939 513 D HN 0.236 nan 8.370 nan 0.000 0.510 514 G N 1.985 110.774 108.800 -0.019 0.000 2.462 514 G HA2 -0.236 3.727 3.960 0.004 0.000 0.220 514 G HA3 -0.236 3.727 3.960 0.004 0.000 0.220 514 G C 1.727 176.590 174.900 -0.063 0.000 1.121 514 G CA 0.683 45.758 45.100 -0.041 0.000 0.758 514 G HN 0.480 nan 8.290 nan 0.000 0.559 515 I N -2.235 118.265 120.570 -0.116 0.000 2.700 515 I HA -0.108 4.064 4.170 0.004 0.000 0.261 515 I C 2.075 178.207 176.117 0.024 0.000 1.219 515 I CA 1.022 62.259 61.300 -0.106 0.000 1.463 515 I CB -0.215 37.611 38.000 -0.290 0.000 1.092 515 I HN 0.013 nan 8.210 nan 0.000 0.452 516 Q N 1.367 121.172 119.800 0.008 0.000 2.436 516 Q HA -0.029 4.313 4.340 0.004 0.000 0.209 516 Q C 0.146 176.184 176.000 0.064 0.000 0.965 516 Q CA 0.964 56.802 55.803 0.058 0.000 0.910 516 Q CB -0.125 28.632 28.738 0.031 0.000 0.980 516 Q HN 0.713 nan 8.270 nan 0.000 0.491 517 Q N 1.129 120.942 119.800 0.022 0.000 2.508 517 Q HA 0.277 4.619 4.340 0.004 0.000 0.247 517 Q C -2.267 173.687 176.000 -0.078 0.000 1.047 517 Q CA -1.646 54.139 55.803 -0.030 0.000 0.783 517 Q CB 1.550 30.264 28.738 -0.040 0.000 1.172 517 Q HN 0.018 nan 8.270 nan 0.000 0.515 518 P HA -0.007 nan 4.420 nan 0.000 0.271 518 P C -0.602 176.554 177.300 -0.240 0.000 1.233 518 P CA -0.246 62.678 63.100 -0.292 0.000 0.789 518 P CB 1.047 32.327 31.700 -0.699 0.000 0.951 519 L N 1.766 122.836 121.223 -0.255 0.000 2.342 519 L HA 0.287 4.629 4.340 0.004 0.000 0.285 519 L C 0.303 177.076 176.870 -0.162 0.000 1.095 519 L CA -0.150 54.523 54.840 -0.279 0.000 0.843 519 L CB -0.457 41.356 42.059 -0.411 0.000 1.201 519 L HN 0.183 nan 8.230 nan 0.000 0.445 520 L N 2.807 123.971 121.223 -0.099 0.000 2.365 520 L HA 0.534 4.876 4.340 0.004 0.000 0.273 520 L C 0.979 177.854 176.870 0.009 0.000 1.000 520 L CA -0.833 53.970 54.840 -0.061 0.000 0.819 520 L CB 1.799 43.806 42.059 -0.086 0.000 1.284 520 L HN 0.767 nan 8.230 nan 0.000 0.418 521 G N 1.117 109.921 108.800 0.006 0.000 2.395 521 G HA2 -0.274 3.688 3.960 0.004 0.000 0.300 521 G HA3 -0.274 3.688 3.960 0.004 0.000 0.300 521 G C -0.102 174.835 174.900 0.063 0.000 0.998 521 G CA 0.294 45.405 45.100 0.019 0.000 1.046 521 G HN 0.819 nan 8.290 nan 0.000 0.513 522 H N -0.613 118.430 119.070 -0.043 0.000 2.538 522 H HA 0.583 5.141 4.556 0.003 0.000 0.353 522 H C 0.007 175.314 175.328 -0.034 0.000 1.109 522 H CA -0.987 55.035 56.048 -0.044 0.000 1.192 522 H CB 1.692 31.416 29.762 -0.064 0.000 1.555 522 H HN 0.127 nan 8.280 nan 0.000 0.518 523 K N 4.099 124.223 120.400 -0.459 0.000 2.297 523 K HA 0.283 4.605 4.320 0.004 0.000 0.286 523 K C -0.821 175.631 176.600 -0.247 0.000 1.053 523 K CA -0.461 55.670 56.287 -0.261 0.000 0.940 523 K CB 0.318 32.692 32.500 -0.210 0.000 1.019 523 K HN 0.393 nan 8.250 nan 0.000 0.475 524 V N 1.096 120.977 119.914 -0.055 0.000 2.994 524 V HA 0.636 4.758 4.120 0.004 0.000 0.318 524 V C -0.476 175.667 176.094 0.082 0.000 1.085 524 V CA -1.045 61.225 62.300 -0.050 0.000 0.998 524 V CB 1.824 33.564 31.823 -0.139 0.000 1.063 524 V HN 0.741 nan 8.190 nan 0.000 0.447 525 N N 1.341 120.149 118.700 0.179 0.000 2.472 525 N HA 0.621 5.363 4.740 0.004 0.000 0.289 525 N C -2.809 172.951 175.510 0.416 0.000 1.156 525 N CA -1.523 51.677 53.050 0.249 0.000 0.940 525 N CB 1.512 40.122 38.487 0.205 0.000 1.200 525 N HN 0.505 nan 8.380 nan 0.000 0.511 526 P HA 0.312 nan 4.420 nan 0.000 0.274 526 P C -1.012 176.417 177.300 0.215 0.000 1.237 526 P CA -0.102 63.083 63.100 0.142 0.000 0.793 526 P CB 0.377 32.093 31.700 0.026 0.000 0.977 527 F N -1.675 118.267 119.950 -0.013 0.000 2.628 527 F HA 0.631 5.161 4.527 0.004 0.000 0.309 527 F C -0.682 175.071 175.800 -0.079 0.000 1.108 527 F CA -1.451 56.524 58.000 -0.041 0.000 0.971 527 F CB 1.357 40.302 39.000 -0.091 0.000 1.279 527 F HN 0.106 nan 8.300 nan 0.000 0.441 528 K N 2.885 123.327 120.400 0.070 0.000 2.087 528 K HA 0.764 5.086 4.320 0.004 0.000 0.255 528 K C 0.170 176.854 176.600 0.141 0.000 0.988 528 K CA -0.264 56.023 56.287 -0.000 0.000 0.915 528 K CB 1.561 34.065 32.500 0.006 0.000 1.043 528 K HN 1.322 nan 8.250 nan 0.000 0.457 529 A N 3.760 126.621 122.820 0.069 0.000 2.130 529 A HA -0.151 4.171 4.320 0.004 0.000 0.327 529 A C 0.868 178.546 177.584 0.156 0.000 0.816 529 A CA 0.557 52.659 52.037 0.109 0.000 1.426 529 A CB -0.819 18.201 19.000 0.033 0.000 0.643 529 A HN 0.835 nan 8.150 nan 0.000 0.265 530 L N 1.302 122.647 121.223 0.203 0.000 2.217 530 L HA 0.048 4.390 4.340 0.004 0.000 0.211 530 L C 0.487 177.462 176.870 0.174 0.000 1.107 530 L CA 1.025 55.929 54.840 0.107 0.000 0.783 530 L CB -0.054 41.966 42.059 -0.065 0.000 0.919 530 L HN 0.818 nan 8.230 nan 0.000 0.442 531 Y N -0.208 120.113 120.300 0.036 0.000 2.314 531 Y HA 0.271 4.823 4.550 0.003 0.000 0.317 531 Y C -0.800 175.115 175.900 0.024 0.000 1.234 531 Y CA -1.408 56.711 58.100 0.031 0.000 1.111 531 Y CB 0.846 39.320 38.460 0.023 0.000 1.283 531 Y HN -0.075 nan 8.280 nan 0.000 0.418 532 N N 4.418 123.106 118.700 -0.019 0.000 2.495 532 N HA 0.465 5.207 4.740 0.004 0.000 0.280 532 N C -0.508 175.076 175.510 0.123 0.000 1.168 532 N CA -0.744 52.331 53.050 0.042 0.000 0.978 532 N CB 1.282 39.749 38.487 -0.033 0.000 1.191 532 N HN 0.593 nan 8.380 nan 0.000 0.497 533 R N 0.404 120.962 120.500 0.096 0.000 2.679 533 R HA 0.395 4.737 4.340 0.004 0.000 0.269 533 R C 0.458 176.812 176.300 0.089 0.000 1.076 533 R CA -0.178 55.979 56.100 0.095 0.000 1.160 533 R CB 0.485 30.818 30.300 0.055 0.000 1.054 533 R HN 0.587 nan 8.270 nan 0.000 0.507 534 I N -1.917 118.711 120.570 0.097 0.000 3.023 534 I HA 0.609 4.781 4.170 0.004 0.000 0.312 534 I C -0.969 175.215 176.117 0.112 0.000 1.056 534 I CA -1.173 60.215 61.300 0.147 0.000 1.033 534 I CB 2.284 40.427 38.000 0.239 0.000 1.233 534 I HN 0.567 nan 8.210 nan 0.000 0.462 535 D N 2.428 122.921 120.400 0.155 0.000 2.583 535 D HA 0.295 4.937 4.640 0.004 0.000 0.248 535 D C 0.346 176.735 176.300 0.148 0.000 1.209 535 D CA -0.819 53.248 54.000 0.112 0.000 0.848 535 D CB 1.143 41.985 40.800 0.070 0.000 1.431 535 D HN 0.425 nan 8.370 nan 0.000 0.436 536 M N 0.248 119.914 119.600 0.110 0.000 2.346 536 M HA -0.050 4.432 4.480 0.004 0.000 0.263 536 M C 1.683 178.042 176.300 0.098 0.000 1.064 536 M CA 1.279 56.646 55.300 0.112 0.000 1.083 536 M CB -0.898 31.749 32.600 0.078 0.000 1.399 536 M HN 0.525 nan 8.290 nan 0.000 0.435 537 R N -0.289 120.256 120.500 0.074 0.000 2.081 537 R HA -0.156 4.186 4.340 0.004 0.000 0.235 537 R C 2.146 178.471 176.300 0.041 0.000 1.131 537 R CA 1.280 57.408 56.100 0.046 0.000 0.960 537 R CB -0.272 30.045 30.300 0.027 0.000 0.856 537 R HN 0.557 nan 8.270 nan 0.000 0.436 538 Q N -0.015 119.823 119.800 0.063 0.000 2.119 538 Q HA -0.100 4.242 4.340 0.004 0.000 0.201 538 Q C 2.178 178.209 176.000 0.050 0.000 0.972 538 Q CA 1.237 57.033 55.803 -0.011 0.000 0.847 538 Q CB 0.030 28.721 28.738 -0.078 0.000 0.903 538 Q HN 0.148 nan 8.270 nan 0.000 0.433 539 V N 1.307 121.372 119.914 0.252 0.000 2.358 539 V HA -0.253 3.869 4.120 0.004 0.000 0.246 539 V C 1.864 177.988 176.094 0.050 0.000 1.047 539 V CA 1.912 64.347 62.300 0.224 0.000 1.035 539 V CB -0.420 31.530 31.823 0.211 0.000 0.658 539 V HN 0.358 nan 8.190 nan 0.000 0.452 540 E N 0.257 120.480 120.200 0.038 0.000 2.110 540 E HA -0.188 4.164 4.350 0.004 0.000 0.193 540 E C 2.304 178.881 176.600 -0.039 0.000 0.988 540 E CA 1.290 57.694 56.400 0.006 0.000 0.804 540 E CB -0.331 29.380 29.700 0.019 0.000 0.745 540 E HN 0.610 nan 8.360 nan 0.000 0.458 541 A N 1.181 123.962 122.820 -0.065 0.000 1.898 541 A HA -0.153 4.169 4.320 0.004 0.000 0.216 541 A C 2.169 179.574 177.584 -0.297 0.000 1.181 541 A CA 1.003 52.991 52.037 -0.082 0.000 0.620 541 A CB -0.491 18.518 19.000 0.015 0.000 0.819 541 A HN 0.243 nan 8.150 nan 0.000 0.442 542 L N -0.018 120.841 121.223 -0.608 0.000 2.017 542 L HA -0.103 4.239 4.340 0.004 0.000 0.208 542 L C 2.322 179.021 176.870 -0.285 0.000 1.073 542 L CA 2.036 56.366 54.840 -0.851 0.000 0.745 542 L CB -0.612 41.118 42.059 -0.548 0.000 0.894 542 L HN 0.131 nan 8.230 nan 0.000 0.432 543 V N -0.087 119.747 119.914 -0.134 0.000 2.343 543 V HA -0.218 3.904 4.120 0.004 0.000 0.247 543 V C 2.706 178.788 176.094 -0.020 0.000 1.051 543 V CA 1.813 64.092 62.300 -0.036 0.000 1.036 543 V CB -0.729 31.093 31.823 -0.002 0.000 0.654 543 V HN 0.462 nan 8.190 nan 0.000 0.451 544 E N 0.280 120.462 120.200 -0.030 0.000 2.110 544 E HA -0.148 4.205 4.350 0.004 0.000 0.193 544 E C 2.332 178.940 176.600 0.013 0.000 0.988 544 E CA 1.476 57.875 56.400 -0.002 0.000 0.804 544 E CB -0.488 29.213 29.700 0.001 0.000 0.745 544 E HN 0.575 nan 8.360 nan 0.000 0.458 545 A N 0.738 123.562 122.820 0.007 0.000 1.930 545 A HA -0.100 4.222 4.320 0.004 0.000 0.217 545 A C 2.451 180.072 177.584 0.062 0.000 1.175 545 A CA 1.559 53.631 52.037 0.058 0.000 0.627 545 A CB -0.336 18.755 19.000 0.151 0.000 0.815 545 A HN 0.165 nan 8.150 nan 0.000 0.443 546 S N -0.255 115.472 115.700 0.045 0.000 2.402 546 S HA -0.098 4.374 4.470 0.004 0.000 0.229 546 S C 1.872 176.524 174.600 0.086 0.000 1.021 546 S CA 1.362 59.609 58.200 0.078 0.000 0.974 546 S CB -0.150 63.095 63.200 0.075 0.000 0.800 546 S HN 0.608 nan 8.310 nan 0.000 0.484 547 K N 1.385 121.821 120.400 0.060 0.000 2.057 547 K HA -0.010 4.312 4.320 0.004 0.000 0.206 547 K C 1.414 178.044 176.600 0.050 0.000 1.050 547 K CA 1.257 57.577 56.287 0.054 0.000 0.935 547 K CB -0.222 32.300 32.500 0.037 0.000 0.715 547 K HN 0.538 nan 8.250 nan 0.000 0.439 548 E N 0.000 120.228 120.200 0.047 0.000 2.725 548 E HA 0.000 4.352 4.350 0.004 0.000 0.291 548 E CA 0.000 56.425 56.400 0.041 0.000 0.976 548 E CB 0.000 29.721 29.700 0.035 0.000 0.812 548 E HN 0.000 nan 8.360 nan 0.000 0.440