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 3g8c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 L N 1.401 122.629 121.223 0.007 0.000 2.453 2 L HA 0.092 4.432 4.340 0.000 0.000 0.272 2 L C 1.214 178.095 176.870 0.019 0.000 1.182 2 L CA 0.110 54.959 54.840 0.014 0.000 0.858 2 L CB 0.031 42.099 42.059 0.016 0.000 1.120 2 L HN 0.770 nan 8.230 nan 0.000 0.474 3 D N 1.766 122.180 120.400 0.023 0.000 2.117 3 D HA -0.086 4.554 4.640 0.000 0.000 0.198 3 D C 0.454 176.770 176.300 0.027 0.000 0.982 3 D CA 1.372 55.385 54.000 0.023 0.000 0.828 3 D CB 0.402 41.217 40.800 0.025 0.000 0.967 3 D HN 0.476 nan 8.370 nan 0.000 0.464 4 K N -0.189 120.233 120.400 0.036 0.000 2.571 4 K HA 0.327 4.648 4.320 0.000 0.000 0.252 4 K C -1.571 175.055 176.600 0.043 0.000 0.956 4 K CA -0.770 55.539 56.287 0.037 0.000 0.822 4 K CB 1.154 33.679 32.500 0.041 0.000 1.286 4 K HN 0.178 nan 8.250 nan 0.000 0.439 5 I N 0.588 121.178 120.570 0.033 0.000 2.785 5 I HA 0.554 4.725 4.170 0.000 0.000 0.302 5 I C -1.084 175.045 176.117 0.019 0.000 1.069 5 I CA -1.064 60.254 61.300 0.030 0.000 1.045 5 I CB 2.184 40.204 38.000 0.034 0.000 1.236 5 I HN 0.192 nan 8.210 nan 0.000 0.429 6 V N 6.085 126.002 119.914 0.003 0.000 2.432 6 V HA 0.321 4.441 4.120 0.000 0.000 0.275 6 V C 0.324 176.437 176.094 0.030 0.000 1.043 6 V CA -0.282 62.020 62.300 0.004 0.000 0.925 6 V CB 1.223 33.022 31.823 -0.039 0.000 0.985 6 V HN 0.503 nan 8.190 nan 0.000 0.466 7 I N 4.811 125.404 120.570 0.037 0.000 2.281 7 I HA 0.321 4.491 4.170 0.000 0.000 0.293 7 I C 0.899 177.033 176.117 0.029 0.000 1.085 7 I CA -0.019 61.287 61.300 0.009 0.000 1.257 7 I CB 1.020 39.003 38.000 -0.028 0.000 1.430 7 I HN 0.674 nan 8.210 nan 0.000 0.489 8 A N 6.298 129.144 122.820 0.044 0.000 3.168 8 A HA 0.365 4.685 4.320 0.000 0.000 0.260 8 A C 0.125 177.717 177.584 0.013 0.000 1.598 8 A CA -0.030 52.042 52.037 0.059 0.000 1.285 8 A CB -0.531 18.544 19.000 0.127 0.000 1.149 8 A HN 0.779 nan 8.150 nan 0.000 0.630 9 N N 0.102 118.771 118.700 -0.052 0.000 3.441 9 N HA 0.410 5.150 4.740 0.000 0.000 0.313 9 N C -1.022 174.280 175.510 -0.347 0.000 1.526 9 N CA -0.386 52.547 53.050 -0.195 0.000 0.871 9 N CB 1.277 39.643 38.487 -0.202 0.000 1.779 9 N HN 0.652 nan 8.380 nan 0.000 0.529 10 R N -0.868 119.347 120.500 -0.475 0.000 2.810 10 R HA 0.729 5.069 4.340 0.000 0.000 0.266 10 R C 0.530 176.508 176.300 -0.536 0.000 1.061 10 R CA -0.044 55.759 56.100 -0.496 0.000 0.943 10 R CB 0.229 30.085 30.300 -0.741 0.000 1.237 10 R HN 0.686 nan 8.270 nan 0.000 0.459 11 G N 0.995 109.441 108.800 -0.589 0.000 2.564 11 G HA2 -0.452 3.509 3.960 0.000 0.000 0.273 11 G HA3 -0.452 3.509 3.960 0.000 0.000 0.273 11 G C 0.632 175.102 174.900 -0.718 0.000 1.242 11 G CA 0.991 45.467 45.100 -1.040 0.000 0.951 11 G HN 1.001 nan 8.290 nan 0.000 0.564 12 E N -0.328 119.615 120.200 -0.429 0.000 2.072 12 E HA 0.059 4.409 4.350 0.000 0.000 0.191 12 E C 2.479 178.953 176.600 -0.210 0.000 0.985 12 E CA 2.009 58.320 56.400 -0.149 0.000 0.801 12 E CB -0.180 29.505 29.700 -0.025 0.000 0.750 12 E HN 0.824 nan 8.360 nan 0.000 0.452 13 I N 0.867 121.266 120.570 -0.284 0.000 2.394 13 I HA -0.037 4.133 4.170 0.000 0.000 0.251 13 I C 2.193 178.059 176.117 -0.419 0.000 1.136 13 I CA 1.266 62.356 61.300 -0.350 0.000 1.425 13 I CB -0.643 36.917 38.000 -0.734 0.000 1.079 13 I HN 0.235 nan 8.210 nan 0.000 0.425 14 A N 0.037 122.537 122.820 -0.534 0.000 1.898 14 A HA -0.175 4.145 4.320 0.000 0.000 0.216 14 A C 2.216 179.486 177.584 -0.523 0.000 1.181 14 A CA 1.808 53.430 52.037 -0.692 0.000 0.620 14 A CB -1.067 17.172 19.000 -1.268 0.000 0.819 14 A HN 0.477 nan 8.150 nan 0.000 0.442 15 L N -0.160 120.844 121.223 -0.364 0.000 2.046 15 L HA -0.102 4.238 4.340 0.000 0.000 0.208 15 L C 2.391 179.193 176.870 -0.113 0.000 1.077 15 L CA 2.446 57.207 54.840 -0.132 0.000 0.747 15 L CB -0.670 41.355 42.059 -0.057 0.000 0.896 15 L HN 0.422 nan 8.230 nan 0.000 0.432 16 R N 0.098 120.517 120.500 -0.134 0.000 2.083 16 R HA -0.161 4.179 4.340 0.000 0.000 0.237 16 R C 2.130 178.365 176.300 -0.110 0.000 1.137 16 R CA 2.311 58.362 56.100 -0.081 0.000 0.951 16 R CB -0.821 29.461 30.300 -0.029 0.000 0.851 16 R HN 0.525 nan 8.270 nan 0.000 0.434 17 I N 0.211 120.655 120.570 -0.210 0.000 2.252 17 I HA -0.224 3.946 4.170 0.000 0.000 0.245 17 I C 2.335 178.372 176.117 -0.134 0.000 1.102 17 I CA 1.104 62.255 61.300 -0.247 0.000 1.385 17 I CB -0.321 37.406 38.000 -0.454 0.000 1.064 17 I HN 0.231 nan 8.210 nan 0.000 0.414 18 L N 0.871 122.031 121.223 -0.106 0.000 2.042 18 L HA -0.253 4.087 4.340 0.000 0.000 0.210 18 L C 2.786 179.644 176.870 -0.019 0.000 1.076 18 L CA 1.704 56.525 54.840 -0.031 0.000 0.749 18 L CB -0.291 41.782 42.059 0.024 0.000 0.893 18 L HN 0.099 nan 8.230 nan 0.000 0.432 19 R N -0.373 120.113 120.500 -0.024 0.000 2.081 19 R HA -0.136 4.204 4.340 0.000 0.000 0.235 19 R C 2.362 178.658 176.300 -0.006 0.000 1.131 19 R CA 1.318 57.413 56.100 -0.008 0.000 0.960 19 R CB -0.627 29.672 30.300 -0.003 0.000 0.856 19 R HN 0.561 nan 8.270 nan 0.000 0.436 20 A N 0.585 123.396 122.820 -0.015 0.000 1.902 20 A HA -0.194 4.126 4.320 0.000 0.000 0.217 20 A C 2.393 179.976 177.584 -0.003 0.000 1.181 20 A CA 1.498 53.531 52.037 -0.007 0.000 0.623 20 A CB -0.835 18.158 19.000 -0.012 0.000 0.818 20 A HN 0.457 nan 8.150 nan 0.000 0.443 21 C N -0.657 118.638 119.300 -0.008 0.000 2.432 21 C HA -0.084 4.376 4.460 0.000 0.000 0.277 21 C C 2.714 177.707 174.990 0.004 0.000 1.249 21 C CA 1.310 60.329 59.018 0.001 0.000 1.725 21 C CB -1.034 26.707 27.740 0.001 0.000 2.028 21 C HN 0.614 nan 8.230 nan 0.000 0.477 22 K N 0.462 120.864 120.400 0.004 0.000 2.103 22 K HA -0.199 4.121 4.320 0.000 0.000 0.207 22 K C 2.075 178.679 176.600 0.006 0.000 1.048 22 K CA 1.286 57.576 56.287 0.006 0.000 0.930 22 K CB -0.283 32.221 32.500 0.006 0.000 0.716 22 K HN 0.581 nan 8.250 nan 0.000 0.444 23 E N 0.811 121.015 120.200 0.006 0.000 2.110 23 E HA -0.145 4.206 4.350 0.000 0.000 0.193 23 E C 1.615 178.219 176.600 0.007 0.000 0.988 23 E CA 0.847 57.252 56.400 0.007 0.000 0.804 23 E CB 0.124 29.829 29.700 0.008 0.000 0.745 23 E HN 0.253 nan 8.360 nan 0.000 0.458 24 L N -0.800 120.427 121.223 0.007 0.000 2.591 24 L HA 0.177 4.517 4.340 0.000 0.000 0.228 24 L C 1.308 178.182 176.870 0.007 0.000 1.133 24 L CA 0.401 55.245 54.840 0.006 0.000 0.880 24 L CB 0.323 42.386 42.059 0.007 0.000 1.033 24 L HN 0.314 nan 8.230 nan 0.000 0.450 25 G N 1.065 109.869 108.800 0.007 0.000 2.143 25 G HA2 -0.279 3.681 3.960 0.000 0.000 0.248 25 G HA3 -0.279 3.681 3.960 0.000 0.000 0.248 25 G C 0.159 175.064 174.900 0.009 0.000 0.991 25 G CA -0.220 44.885 45.100 0.007 0.000 0.689 25 G HN 0.300 nan 8.290 nan 0.000 0.522 26 I N 0.942 121.518 120.570 0.010 0.000 2.371 26 I HA 0.237 4.407 4.170 0.000 0.000 0.290 26 I C 0.937 177.062 176.117 0.014 0.000 1.028 26 I CA -0.501 60.807 61.300 0.013 0.000 1.345 26 I CB 0.908 38.917 38.000 0.014 0.000 1.407 26 I HN -0.007 nan 8.210 nan 0.000 0.501 27 K N 4.371 124.781 120.400 0.016 0.000 2.382 27 K HA 0.206 4.526 4.320 0.000 0.000 0.275 27 K C 0.126 176.738 176.600 0.020 0.000 1.009 27 K CA -0.099 56.198 56.287 0.017 0.000 0.970 27 K CB 0.526 33.037 32.500 0.018 0.000 0.934 27 K HN 0.669 nan 8.250 nan 0.000 0.479 28 T N -1.782 112.783 114.554 0.019 0.000 2.855 28 T HA 0.484 4.834 4.350 0.000 0.000 0.281 28 T C -0.396 174.320 174.700 0.026 0.000 1.007 28 T CA -0.961 61.154 62.100 0.025 0.000 1.009 28 T CB 1.304 70.190 68.868 0.031 0.000 0.983 28 T HN 0.143 nan 8.240 nan 0.000 0.455 29 V N 2.175 122.108 119.914 0.031 0.000 2.407 29 V HA 0.688 4.809 4.120 0.000 0.000 0.291 29 V C 0.301 176.428 176.094 0.054 0.000 1.018 29 V CA -1.032 61.285 62.300 0.030 0.000 0.842 29 V CB 1.090 32.920 31.823 0.013 0.000 0.996 29 V HN 1.255 nan 8.190 nan 0.000 0.426 30 A N 5.429 128.287 122.820 0.063 0.000 2.279 30 A HA 0.694 5.014 4.320 0.000 0.000 0.306 30 A C -0.053 177.610 177.584 0.133 0.000 1.300 30 A CA -0.434 51.669 52.037 0.111 0.000 0.925 30 A CB 0.609 19.585 19.000 -0.040 0.000 1.152 30 A HN 1.201 nan 8.150 nan 0.000 0.544 31 V N 2.313 122.297 119.914 0.117 0.000 2.465 31 V HA 0.800 4.920 4.120 0.000 0.000 0.279 31 V C -0.365 175.794 176.094 0.109 0.000 1.045 31 V CA -0.314 61.997 62.300 0.018 0.000 0.938 31 V CB 0.266 32.058 31.823 -0.051 0.000 0.986 31 V HN 1.102 nan 8.190 nan 0.000 0.467 32 H N 1.449 120.482 119.070 -0.062 0.000 3.016 32 H HA 0.788 5.344 4.556 0.000 0.000 0.362 32 H C -0.176 175.014 175.328 -0.229 0.000 1.233 32 H CA -0.172 55.849 56.048 -0.045 0.000 1.124 32 H CB 1.130 30.914 29.762 0.037 0.000 1.850 32 H HN 0.914 nan 8.280 nan 0.000 0.549 33 S N 0.535 116.131 115.700 -0.175 0.000 2.624 33 S HA 0.107 4.578 4.470 0.000 0.000 0.263 33 S C 1.263 175.940 174.600 0.127 0.000 1.287 33 S CA -0.123 57.990 58.200 -0.144 0.000 0.990 33 S CB 0.937 64.105 63.200 -0.053 0.000 0.950 33 S HN 1.059 nan 8.310 nan 0.000 0.561 34 S N 0.607 116.333 115.700 0.043 0.000 2.442 34 S HA -0.037 4.433 4.470 0.000 0.000 0.236 34 S C 1.699 176.381 174.600 0.136 0.000 1.007 34 S CA 0.542 58.796 58.200 0.089 0.000 0.965 34 S CB -0.967 62.238 63.200 0.010 0.000 0.773 34 S HN 1.124 nan 8.310 nan 0.000 0.504 35 A N 0.846 123.766 122.820 0.166 0.000 2.208 35 A HA 0.172 4.493 4.320 0.000 0.000 0.209 35 A C 1.211 178.972 177.584 0.296 0.000 1.161 35 A CA 0.719 52.902 52.037 0.243 0.000 0.782 35 A CB -0.072 19.126 19.000 0.330 0.000 0.816 35 A HN 0.410 nan 8.150 nan 0.000 0.477 36 D N -1.318 119.254 120.400 0.286 0.000 2.501 36 D HA 0.129 4.769 4.640 0.000 0.000 0.224 36 D C 1.446 177.774 176.300 0.047 0.000 1.202 36 D CA -0.104 54.045 54.000 0.249 0.000 0.829 36 D CB 0.074 41.052 40.800 0.297 0.000 1.023 36 D HN 0.391 nan 8.370 nan 0.000 0.499 37 R N 0.594 121.096 120.500 0.002 0.000 2.159 37 R HA -0.100 4.241 4.340 0.000 0.000 0.237 37 R C 0.233 176.459 176.300 -0.124 0.000 1.131 37 R CA 1.205 57.173 56.100 -0.221 0.000 0.982 37 R CB 0.316 30.603 30.300 -0.022 0.000 0.868 37 R HN -0.075 nan 8.270 nan 0.000 0.453 38 D N 0.018 120.461 120.400 0.071 0.000 2.368 38 D HA 0.079 4.719 4.640 0.000 0.000 0.218 38 D C -0.075 176.402 176.300 0.295 0.000 1.112 38 D CA -0.009 54.106 54.000 0.192 0.000 0.834 38 D CB 0.192 41.177 40.800 0.309 0.000 0.953 38 D HN 0.190 nan 8.370 nan 0.000 0.505 39 L N 0.937 122.269 121.223 0.182 0.000 2.514 39 L HA -0.058 4.282 4.340 0.000 0.000 0.280 39 L C 1.919 178.834 176.870 0.074 0.000 1.223 39 L CA -0.136 54.792 54.840 0.146 0.000 0.864 39 L CB 0.735 42.856 42.059 0.103 0.000 1.118 39 L HN -0.209 nan 8.230 nan 0.000 0.494 40 K N 2.162 122.639 120.400 0.128 0.000 2.044 40 K HA -0.240 4.080 4.320 0.000 0.000 0.210 40 K C 2.170 178.776 176.600 0.011 0.000 1.049 40 K CA 2.016 58.336 56.287 0.055 0.000 0.927 40 K CB -0.174 32.377 32.500 0.085 0.000 0.713 40 K HN 0.766 nan 8.250 nan 0.000 0.443 41 H N -0.760 118.288 119.070 -0.037 0.000 2.423 41 H HA -0.024 4.532 4.556 0.000 0.000 0.297 41 H C 1.786 177.087 175.328 -0.044 0.000 1.075 41 H CA 1.499 57.517 56.048 -0.050 0.000 1.342 41 H CB -0.573 29.144 29.762 -0.075 0.000 1.395 41 H HN 0.037 nan 8.280 nan 0.000 0.530 42 V N 2.003 121.439 119.914 -0.797 0.000 2.295 42 V HA -0.257 3.863 4.120 0.000 0.000 0.246 42 V C 3.130 179.065 176.094 -0.265 0.000 1.049 42 V CA 1.765 63.726 62.300 -0.564 0.000 1.024 42 V CB -0.669 30.827 31.823 -0.544 0.000 0.648 42 V HN 0.286 nan 8.190 nan 0.000 0.447 43 L N -0.831 120.278 121.223 -0.190 0.000 2.201 43 L HA -0.125 4.216 4.340 0.000 0.000 0.212 43 L C 2.163 178.978 176.870 -0.091 0.000 1.105 43 L CA 1.240 56.008 54.840 -0.121 0.000 0.775 43 L CB -0.444 41.548 42.059 -0.111 0.000 0.913 43 L HN 0.307 nan 8.230 nan 0.000 0.440 44 L N -0.672 120.502 121.223 -0.082 0.000 2.529 44 L HA 0.201 4.541 4.340 0.000 0.000 0.223 44 L C 1.409 178.260 176.870 -0.032 0.000 1.113 44 L CA -0.459 54.355 54.840 -0.044 0.000 0.861 44 L CB -0.246 41.802 42.059 -0.018 0.000 1.012 44 L HN 0.114 nan 8.230 nan 0.000 0.461 45 A N 0.025 122.816 122.820 -0.050 0.000 2.366 45 A HA 0.054 4.375 4.320 0.000 0.000 0.249 45 A C 0.719 178.294 177.584 -0.016 0.000 1.084 45 A CA -0.290 51.734 52.037 -0.022 0.000 0.794 45 A CB 0.275 19.257 19.000 -0.029 0.000 1.034 45 A HN 0.136 nan 8.150 nan 0.000 0.491 46 D N 0.185 120.584 120.400 -0.002 0.000 2.117 46 D HA -0.018 4.622 4.640 0.000 0.000 0.198 46 D C 0.261 176.562 176.300 0.002 0.000 0.982 46 D CA 1.425 55.425 54.000 0.001 0.000 0.828 46 D CB 0.241 41.045 40.800 0.007 0.000 0.967 46 D HN 0.724 nan 8.370 nan 0.000 0.464 47 E N -0.683 119.520 120.200 0.006 0.000 2.340 47 E HA 0.412 4.762 4.350 0.000 0.000 0.273 47 E C -0.706 175.905 176.600 0.019 0.000 0.891 47 E CA -0.553 55.854 56.400 0.011 0.000 0.757 47 E CB 2.588 32.296 29.700 0.013 0.000 1.231 47 E HN -0.022 nan 8.360 nan 0.000 0.439 48 T N -1.823 112.751 114.554 0.033 0.000 2.900 48 T HA 0.694 5.044 4.350 0.000 0.000 0.295 48 T C -0.839 173.897 174.700 0.060 0.000 1.044 48 T CA -0.711 61.438 62.100 0.081 0.000 0.995 48 T CB 1.327 70.268 68.868 0.121 0.000 1.072 48 T HN 0.145 nan 8.240 nan 0.000 0.473 49 V N 1.536 121.456 119.914 0.010 0.000 2.569 49 V HA 0.427 4.547 4.120 0.000 0.000 0.301 49 V C 0.060 175.900 176.094 -0.423 0.000 1.044 49 V CA -1.174 61.051 62.300 -0.124 0.000 0.874 49 V CB 1.520 33.280 31.823 -0.105 0.000 1.002 49 V HN 1.293 nan 8.190 nan 0.000 0.424 50 C N 6.779 125.793 119.300 -0.477 0.000 2.464 50 C HA 0.442 4.902 4.460 0.000 0.000 0.370 50 C C 1.739 176.497 174.990 -0.387 0.000 1.267 50 C CA -0.261 58.346 59.018 -0.685 0.000 1.781 50 C CB -1.250 26.283 27.740 -0.346 0.000 2.431 50 C HN 0.886 nan 8.230 nan 0.000 0.556 51 I N 4.220 124.547 120.570 -0.405 0.000 3.860 51 I HA 0.498 4.669 4.170 0.000 0.000 0.319 51 I C 0.897 176.865 176.117 -0.248 0.000 1.279 51 I CA 0.529 61.656 61.300 -0.289 0.000 1.220 51 I CB -0.347 37.476 38.000 -0.295 0.000 1.027 51 I HN 0.740 nan 8.210 nan 0.000 0.428 52 G N 1.389 110.037 108.800 -0.254 0.000 2.327 52 G HA2 0.252 4.212 3.960 0.000 0.000 0.291 52 G HA3 0.252 4.212 3.960 0.000 0.000 0.291 52 G C -3.246 171.550 174.900 -0.173 0.000 1.290 52 G CA -0.687 44.299 45.100 -0.190 0.000 0.857 52 G HN -0.108 nan 8.290 nan 0.000 0.520 53 P HA 0.377 nan 4.420 nan 0.000 0.275 53 P C 1.200 178.401 177.300 -0.165 0.000 1.270 53 P CA 0.754 63.773 63.100 -0.135 0.000 0.791 53 P CB 0.772 32.398 31.700 -0.122 0.000 1.089 54 A N 0.218 122.892 122.820 -0.243 0.000 1.892 54 A HA -0.043 4.277 4.320 0.000 0.000 0.218 54 A C -1.112 176.297 177.584 -0.293 0.000 1.188 54 A CA 1.475 53.286 52.037 -0.375 0.000 0.631 54 A CB -2.621 15.706 19.000 -1.123 0.000 0.822 54 A HN 0.534 nan 8.150 nan 0.000 0.447 55 P HA 0.129 nan 4.420 nan 0.000 0.265 55 P C 0.561 177.886 177.300 0.040 0.000 1.193 55 P CA 0.418 63.459 63.100 -0.099 0.000 0.765 55 P CB 0.861 32.520 31.700 -0.068 0.000 0.823 56 S N 1.874 117.693 115.700 0.197 0.000 2.399 56 S HA -0.134 4.337 4.470 0.000 0.000 0.231 56 S C 1.890 176.540 174.600 0.082 0.000 1.022 56 S CA 0.893 59.247 58.200 0.257 0.000 0.983 56 S CB -0.671 62.817 63.200 0.480 0.000 0.803 56 S HN 0.403 nan 8.310 nan 0.000 0.480 57 V N 1.591 121.545 119.914 0.066 0.000 2.469 57 V HA -0.156 3.964 4.120 0.000 0.000 0.251 57 V C 1.752 177.825 176.094 -0.035 0.000 1.064 57 V CA 1.726 64.038 62.300 0.021 0.000 1.066 57 V CB -0.278 31.561 31.823 0.026 0.000 0.667 57 V HN 0.402 nan 8.190 nan 0.000 0.461 58 K N -0.824 119.539 120.400 -0.061 0.000 2.374 58 K HA 0.141 4.461 4.320 0.000 0.000 0.196 58 K C 1.535 178.033 176.600 -0.170 0.000 1.023 58 K CA 0.811 57.038 56.287 -0.099 0.000 1.103 58 K CB 0.549 32.996 32.500 -0.089 0.000 0.848 58 K HN 0.721 nan 8.250 nan 0.000 0.528 59 S N -0.851 114.711 115.700 -0.230 0.000 3.600 59 S HA 0.025 4.495 4.470 0.000 0.000 0.179 59 S C 1.528 175.826 174.600 -0.503 0.000 0.816 59 S CA -0.320 57.616 58.200 -0.440 0.000 0.916 59 S CB -0.632 62.174 63.200 -0.656 0.000 1.164 59 S HN 0.082 nan 8.310 nan 0.000 0.709 60 Y N 2.147 122.249 120.300 -0.331 0.000 2.509 60 Y HA 0.385 4.935 4.550 0.000 0.000 0.293 60 Y C 1.746 177.340 175.900 -0.511 0.000 1.133 60 Y CA 0.393 58.115 58.100 -0.629 0.000 1.283 60 Y CB -0.448 37.175 38.460 -1.395 0.000 1.001 60 Y HN 0.229 nan 8.280 nan 0.000 0.555 61 L N -0.405 120.710 121.223 -0.180 0.000 2.728 61 L HA 0.143 4.483 4.340 0.000 0.000 0.238 61 L C 0.555 177.339 176.870 -0.142 0.000 1.143 61 L CA -0.111 54.661 54.840 -0.113 0.000 0.937 61 L CB 0.029 42.104 42.059 0.027 0.000 1.225 61 L HN -0.011 nan 8.230 nan 0.000 0.507 62 N N 1.491 120.087 118.700 -0.173 0.000 2.663 62 N HA 0.162 4.902 4.740 0.000 0.000 0.250 62 N C 1.035 176.470 175.510 -0.125 0.000 1.129 62 N CA 0.113 53.084 53.050 -0.132 0.000 0.995 62 N CB 0.482 38.883 38.487 -0.144 0.000 1.324 62 N HN 0.193 nan 8.380 nan 0.000 0.512 63 I N 3.633 124.151 120.570 -0.086 0.000 2.118 63 I HA -0.215 3.956 4.170 0.000 0.000 0.241 63 I C -0.669 175.483 176.117 0.059 0.000 1.070 63 I CA 1.150 62.453 61.300 0.006 0.000 1.327 63 I CB -1.047 37.023 38.000 0.116 0.000 1.034 63 I HN 0.384 nan 8.210 nan 0.000 0.405 64 P HA -0.190 nan 4.420 nan 0.000 0.215 64 P C 1.444 178.742 177.300 -0.003 0.000 1.153 64 P CA 1.946 65.061 63.100 0.024 0.000 0.853 64 P CB -0.060 31.645 31.700 0.008 0.000 0.788 65 A N -0.950 121.846 122.820 -0.041 0.000 1.898 65 A HA -0.155 4.165 4.320 0.000 0.000 0.216 65 A C 2.206 179.744 177.584 -0.076 0.000 1.181 65 A CA 1.401 53.394 52.037 -0.073 0.000 0.620 65 A CB -1.555 17.375 19.000 -0.117 0.000 0.819 65 A HN 0.119 nan 8.150 nan 0.000 0.442 66 I N -0.460 120.073 120.570 -0.063 0.000 2.252 66 I HA -0.209 3.962 4.170 0.000 0.000 0.245 66 I C 2.255 178.351 176.117 -0.036 0.000 1.102 66 I CA 1.123 62.397 61.300 -0.044 0.000 1.385 66 I CB -0.235 37.759 38.000 -0.011 0.000 1.064 66 I HN 0.278 nan 8.210 nan 0.000 0.414 67 I N -0.206 120.372 120.570 0.013 0.000 2.226 67 I HA -0.303 3.867 4.170 0.000 0.000 0.245 67 I C 2.761 178.840 176.117 -0.064 0.000 1.100 67 I CA 1.354 62.623 61.300 -0.052 0.000 1.374 67 I CB -0.327 37.713 38.000 0.067 0.000 1.057 67 I HN 0.224 nan 8.210 nan 0.000 0.413 68 S N 0.751 116.441 115.700 -0.017 0.000 2.370 68 S HA -0.213 4.257 4.470 0.000 0.000 0.226 68 S C 2.216 176.796 174.600 -0.032 0.000 1.033 68 S CA 1.513 59.709 58.200 -0.006 0.000 1.011 68 S CB -0.203 62.991 63.200 -0.010 0.000 0.852 68 S HN 0.469 nan 8.310 nan 0.000 0.457 69 A N 1.319 124.099 122.820 -0.068 0.000 1.902 69 A HA 0.229 4.549 4.320 0.000 0.000 0.217 69 A C 2.497 180.028 177.584 -0.088 0.000 1.181 69 A CA 1.824 53.816 52.037 -0.075 0.000 0.623 69 A CB -1.410 17.536 19.000 -0.090 0.000 0.818 69 A HN 0.801 nan 8.150 nan 0.000 0.443 70 A N -0.146 122.563 122.820 -0.184 0.000 1.908 70 A HA -0.200 4.120 4.320 0.000 0.000 0.218 70 A C 1.941 179.479 177.584 -0.077 0.000 1.181 70 A CA 1.721 53.571 52.037 -0.311 0.000 0.627 70 A CB -0.546 17.905 19.000 -0.915 0.000 0.818 70 A HN 0.644 nan 8.150 nan 0.000 0.445 71 E N -0.763 119.464 120.200 0.045 0.000 2.051 71 E HA -0.155 4.195 4.350 0.000 0.000 0.192 71 E C 1.951 178.626 176.600 0.126 0.000 0.991 71 E CA 1.221 57.769 56.400 0.247 0.000 0.799 71 E CB -0.241 29.589 29.700 0.217 0.000 0.748 71 E HN 0.688 nan 8.360 nan 0.000 0.449 72 I N 1.292 121.897 120.570 0.058 0.000 2.493 72 I HA -0.190 3.980 4.170 0.000 0.000 0.254 72 I C 2.242 178.380 176.117 0.034 0.000 1.160 72 I CA 1.377 62.699 61.300 0.037 0.000 1.445 72 I CB 0.031 38.038 38.000 0.012 0.000 1.086 72 I HN 0.180 nan 8.210 nan 0.000 0.433 73 T N -2.504 112.069 114.554 0.032 0.000 3.081 73 T HA 0.197 4.548 4.350 0.000 0.000 0.255 73 T C 1.456 176.186 174.700 0.051 0.000 1.113 73 T CA 0.411 62.529 62.100 0.030 0.000 1.082 73 T CB 0.146 69.022 68.868 0.014 0.000 0.939 73 T HN 0.510 nan 8.240 nan 0.000 0.506 74 G N 1.447 110.298 108.800 0.085 0.000 2.176 74 G HA2 -0.014 3.947 3.960 0.000 0.000 0.252 74 G HA3 -0.014 3.947 3.960 0.000 0.000 0.252 74 G C 0.265 175.240 174.900 0.126 0.000 1.024 74 G CA -0.056 45.107 45.100 0.105 0.000 0.755 74 G HN 1.132 nan 8.290 nan 0.000 0.507 75 A N -0.900 122.006 122.820 0.142 0.000 2.346 75 A HA 0.761 5.081 4.320 0.000 0.000 0.252 75 A C 1.652 179.404 177.584 0.280 0.000 1.089 75 A CA 0.728 52.844 52.037 0.132 0.000 0.797 75 A CB 0.952 19.972 19.000 0.034 0.000 1.047 75 A HN 1.646 nan 8.150 nan 0.000 0.494 76 V N -3.040 117.008 119.914 0.223 0.000 3.556 76 V HA 0.655 4.775 4.120 0.000 0.000 0.287 76 V C 0.454 176.722 176.094 0.290 0.000 1.422 76 V CA 0.813 63.273 62.300 0.266 0.000 1.038 76 V CB -0.825 31.066 31.823 0.113 0.000 0.850 76 V HN 1.779 nan 8.190 nan 0.000 0.437 77 A N 0.094 123.027 122.820 0.188 0.000 2.606 77 A HA 0.871 5.192 4.320 0.000 0.000 0.293 77 A C -1.423 176.172 177.584 0.019 0.000 1.082 77 A CA -0.592 51.506 52.037 0.102 0.000 0.685 77 A CB 1.683 20.708 19.000 0.043 0.000 1.284 77 A HN 0.301 nan 8.150 nan 0.000 0.408 78 I N 1.849 122.409 120.570 -0.017 0.000 2.478 78 I HA 0.289 4.460 4.170 0.000 0.000 0.287 78 I C -0.900 175.165 176.117 -0.087 0.000 1.042 78 I CA -0.484 60.805 61.300 -0.019 0.000 1.067 78 I CB 1.907 39.923 38.000 0.026 0.000 1.233 78 I HN 0.740 nan 8.210 nan 0.000 0.431 79 H N 8.770 127.769 119.070 -0.119 0.000 2.594 79 H HA 0.332 4.888 4.556 0.000 0.000 0.304 79 H C -2.041 173.219 175.328 -0.114 0.000 1.068 79 H CA -2.240 53.702 56.048 -0.177 0.000 1.308 79 H CB 1.867 31.543 29.762 -0.143 0.000 1.409 79 H HN 0.326 nan 8.280 nan 0.000 0.460 80 P HA 0.087 nan 4.420 nan 0.000 0.249 80 P C 0.861 178.265 177.300 0.174 0.000 1.229 80 P CA 0.928 64.150 63.100 0.203 0.000 0.788 80 P CB 0.690 32.547 31.700 0.263 0.000 1.072 81 G N 1.119 110.067 108.800 0.247 0.000 2.574 81 G HA2 -0.259 3.701 3.960 0.000 0.000 0.286 81 G HA3 -0.259 3.701 3.960 0.000 0.000 0.286 81 G C -0.553 174.373 174.900 0.043 0.000 1.212 81 G CA 0.585 45.658 45.100 -0.046 0.000 0.979 81 G HN 0.454 nan 8.290 nan 0.000 0.557 82 Y N -1.126 119.204 120.300 0.050 0.000 2.598 82 Y HA 0.709 5.260 4.550 0.000 0.000 0.340 82 Y C 0.868 176.755 175.900 -0.022 0.000 1.038 82 Y CA -0.679 57.440 58.100 0.031 0.000 1.100 82 Y CB 0.897 39.361 38.460 0.007 0.000 1.281 82 Y HN 2.611 nan 8.280 nan 0.000 0.488 83 G N 1.250 110.202 108.800 0.252 0.000 2.752 83 G HA2 -0.191 3.769 3.960 0.000 0.000 0.234 83 G HA3 -0.191 3.769 3.960 0.000 0.000 0.234 83 G C -0.059 174.897 174.900 0.093 0.000 1.367 83 G CA 0.257 45.384 45.100 0.045 0.000 0.879 83 G HN 1.394 nan 8.290 nan 0.000 0.563 84 F N -2.444 117.562 119.950 0.093 0.000 2.271 84 F HA -0.320 4.207 4.527 0.000 0.000 0.306 84 F C 2.268 178.099 175.800 0.052 0.000 1.484 84 F CA 1.707 59.740 58.000 0.055 0.000 1.166 84 F CB -1.121 37.885 39.000 0.010 0.000 3.762 84 F HN 0.476 nan 8.300 nan 0.000 0.149 85 L N 0.633 122.011 121.223 0.259 0.000 2.628 85 L HA 0.074 4.414 4.340 0.000 0.000 0.229 85 L C 1.942 179.030 176.870 0.363 0.000 1.137 85 L CA 0.649 55.574 54.840 0.141 0.000 0.909 85 L CB -0.284 41.557 42.059 -0.363 0.000 1.137 85 L HN 0.534 nan 8.230 nan 0.000 0.470 86 S N -0.322 115.585 115.700 0.345 0.000 2.399 86 S HA -0.169 4.301 4.470 0.000 0.000 0.231 86 S C 1.278 176.108 174.600 0.383 0.000 1.022 86 S CA 0.966 59.404 58.200 0.396 0.000 0.983 86 S CB -0.131 63.230 63.200 0.269 0.000 0.803 86 S HN 0.542 nan 8.310 nan 0.000 0.480 87 E N 1.225 121.583 120.200 0.264 0.000 2.685 87 E HA 0.251 4.601 4.350 0.000 0.000 0.208 87 E C -0.617 176.074 176.600 0.152 0.000 0.996 87 E CA -0.334 56.181 56.400 0.191 0.000 1.054 87 E CB 0.204 29.985 29.700 0.136 0.000 1.075 87 E HN 0.339 nan 8.360 nan 0.000 0.460 88 N N 1.119 119.935 118.700 0.193 0.000 2.469 88 N HA 0.135 4.875 4.740 0.000 0.000 0.239 88 N C 0.557 176.121 175.510 0.089 0.000 1.053 88 N CA -0.002 53.140 53.050 0.154 0.000 0.937 88 N CB 1.291 39.894 38.487 0.194 0.000 1.163 88 N HN 0.122 nan 8.380 nan 0.000 0.509 89 A N 4.329 127.166 122.820 0.028 0.000 1.933 89 A HA -0.166 4.154 4.320 0.000 0.000 0.218 89 A C 1.799 179.343 177.584 -0.067 0.000 1.175 89 A CA 1.190 53.197 52.037 -0.050 0.000 0.628 89 A CB -0.193 18.792 19.000 -0.026 0.000 0.814 89 A HN 0.662 nan 8.150 nan 0.000 0.444 90 N N -1.045 117.660 118.700 0.007 0.000 2.188 90 N HA -0.093 4.647 4.740 0.000 0.000 0.184 90 N C 1.382 176.918 175.510 0.044 0.000 1.018 90 N CA 1.303 54.364 53.050 0.020 0.000 0.858 90 N CB -0.589 37.929 38.487 0.052 0.000 0.989 90 N HN 0.636 nan 8.380 nan 0.000 0.426 91 F N 1.411 121.314 119.950 -0.078 0.000 2.102 91 F HA -0.127 4.400 4.527 0.000 0.000 0.298 91 F C 2.164 177.840 175.800 -0.207 0.000 1.105 91 F CA 1.280 59.234 58.000 -0.077 0.000 1.239 91 F CB -0.102 38.897 39.000 -0.002 0.000 0.991 91 F HN 0.037 nan 8.300 nan 0.000 0.474 92 A N 0.921 123.374 122.820 -0.612 0.000 1.883 92 A HA -0.302 4.018 4.320 0.000 0.000 0.217 92 A C 2.093 179.314 177.584 -0.605 0.000 1.186 92 A CA 2.080 53.421 52.037 -1.160 0.000 0.624 92 A CB -1.194 17.052 19.000 -1.257 0.000 0.822 92 A HN 0.716 nan 8.150 nan 0.000 0.444 93 E N -0.465 119.532 120.200 -0.338 0.000 2.106 93 E HA -0.292 4.058 4.350 0.000 0.000 0.192 93 E C 2.088 178.599 176.600 -0.148 0.000 0.984 93 E CA 1.349 57.631 56.400 -0.196 0.000 0.806 93 E CB -0.447 29.182 29.700 -0.118 0.000 0.750 93 E HN 0.736 nan 8.360 nan 0.000 0.458 94 Q N 1.053 120.772 119.800 -0.135 0.000 2.084 94 Q HA -0.135 4.206 4.340 0.000 0.000 0.202 94 Q C 2.281 178.239 176.000 -0.070 0.000 0.978 94 Q CA 1.953 57.718 55.803 -0.062 0.000 0.844 94 Q CB 0.003 28.750 28.738 0.015 0.000 0.898 94 Q HN 0.256 nan 8.270 nan 0.000 0.426 95 V N 1.269 121.055 119.914 -0.212 0.000 2.255 95 V HA -0.300 3.820 4.120 0.000 0.000 0.247 95 V C 2.075 178.184 176.094 0.024 0.000 1.051 95 V CA 2.382 64.610 62.300 -0.120 0.000 1.018 95 V CB -0.596 31.042 31.823 -0.308 0.000 0.641 95 V HN 0.460 nan 8.190 nan 0.000 0.445 96 E N -0.362 119.800 120.200 -0.063 0.000 2.106 96 E HA -0.245 4.105 4.350 0.000 0.000 0.192 96 E C 2.420 179.000 176.600 -0.033 0.000 0.984 96 E CA 1.140 57.520 56.400 -0.033 0.000 0.806 96 E CB -0.209 29.451 29.700 -0.068 0.000 0.750 96 E HN 0.458 nan 8.360 nan 0.000 0.458 97 R N 0.699 121.177 120.500 -0.037 0.000 2.115 97 R HA -0.056 4.284 4.340 0.000 0.000 0.230 97 R C 1.912 178.200 176.300 -0.020 0.000 1.111 97 R CA 1.276 57.359 56.100 -0.030 0.000 0.976 97 R CB 0.080 30.365 30.300 -0.025 0.000 0.870 97 R HN -0.030 nan 8.270 nan 0.000 0.445 98 S N -0.952 114.762 115.700 0.022 0.000 2.561 98 S HA 0.113 4.583 4.470 0.000 0.000 0.225 98 S C 1.046 175.544 174.600 -0.170 0.000 0.977 98 S CA 0.738 58.960 58.200 0.037 0.000 0.926 98 S CB 0.798 64.148 63.200 0.250 0.000 0.769 98 S HN 0.713 nan 8.310 nan 0.000 0.533 99 G N 0.534 109.230 108.800 -0.173 0.000 2.179 99 G HA2 -0.209 3.751 3.960 0.000 0.000 0.220 99 G HA3 -0.209 3.751 3.960 0.000 0.000 0.220 99 G C -0.087 174.586 174.900 -0.379 0.000 0.990 99 G CA -0.550 44.367 45.100 -0.304 0.000 0.646 99 G HN 0.405 nan 8.290 nan 0.000 0.517 100 F N 0.613 120.549 119.950 -0.023 0.000 2.399 100 F HA 0.688 5.215 4.527 0.000 0.000 0.328 100 F C 1.179 176.971 175.800 -0.012 0.000 1.084 100 F CA -1.198 56.793 58.000 -0.015 0.000 1.053 100 F CB 0.931 39.926 39.000 -0.009 0.000 1.209 100 F HN -0.067 nan 8.300 nan 0.000 0.502 101 I N 2.692 123.373 120.570 0.186 0.000 2.471 101 I HA 0.019 4.189 4.170 0.000 0.000 0.286 101 I C -0.438 175.746 176.117 0.112 0.000 1.079 101 I CA -0.050 61.311 61.300 0.102 0.000 1.398 101 I CB 0.372 38.400 38.000 0.046 0.000 1.403 101 I HN 0.437 nan 8.210 nan 0.000 0.530 102 F N 7.710 127.618 119.950 -0.070 0.000 2.404 102 F HA 0.410 4.937 4.527 0.000 0.000 0.358 102 F C 0.342 176.064 175.800 -0.130 0.000 1.120 102 F CA -0.541 57.385 58.000 -0.122 0.000 1.144 102 F CB 0.524 39.425 39.000 -0.166 0.000 1.133 102 F HN 0.277 nan 8.300 nan 0.000 0.495 103 I N 7.240 127.418 120.570 -0.653 0.000 2.349 103 I HA 0.364 4.535 4.170 0.000 0.000 0.302 103 I C 0.631 176.284 176.117 -0.773 0.000 1.180 103 I CA 0.451 61.388 61.300 -0.606 0.000 1.405 103 I CB -0.918 36.721 38.000 -0.601 0.000 1.474 103 I HN 0.784 nan 8.210 nan 0.000 0.632 104 G N 6.081 114.630 108.800 -0.417 0.000 2.325 104 G HA2 0.327 4.287 3.960 0.000 0.000 0.295 104 G HA3 0.327 4.287 3.960 0.000 0.000 0.295 104 G C -3.297 171.595 174.900 -0.013 0.000 1.274 104 G CA -0.748 44.240 45.100 -0.187 0.000 0.857 104 G HN 0.112 nan 8.290 nan 0.000 0.499 105 P HA 0.316 nan 4.420 nan 0.000 0.275 105 P C -0.438 176.848 177.300 -0.022 0.000 1.266 105 P CA -0.503 62.487 63.100 -0.183 0.000 0.793 105 P CB 0.474 32.014 31.700 -0.267 0.000 1.074 106 K N 0.376 120.727 120.400 -0.082 0.000 2.414 106 K HA 0.101 4.422 4.320 0.000 0.000 0.272 106 K C 1.490 178.039 176.600 -0.086 0.000 0.993 106 K CA 0.269 56.516 56.287 -0.068 0.000 0.964 106 K CB 0.035 32.499 32.500 -0.060 0.000 0.925 106 K HN 0.467 nan 8.250 nan 0.000 0.487 107 A N 4.035 126.774 122.820 -0.136 0.000 1.917 107 A HA -0.249 4.071 4.320 0.000 0.000 0.219 107 A C 1.847 179.386 177.584 -0.075 0.000 1.182 107 A CA 2.040 53.987 52.037 -0.151 0.000 0.633 107 A CB -0.391 18.505 19.000 -0.174 0.000 0.819 107 A HN 0.863 nan 8.150 nan 0.000 0.448 108 E N -0.894 119.274 120.200 -0.052 0.000 2.085 108 E HA -0.156 4.194 4.350 0.000 0.000 0.194 108 E C 2.044 178.642 176.600 -0.004 0.000 0.994 108 E CA 1.710 58.095 56.400 -0.025 0.000 0.801 108 E CB -0.425 29.264 29.700 -0.019 0.000 0.743 108 E HN 0.654 nan 8.360 nan 0.000 0.453 109 T N 1.251 115.807 114.554 0.003 0.000 2.777 109 T HA -0.075 4.275 4.350 0.000 0.000 0.266 109 T C 1.996 176.736 174.700 0.067 0.000 1.040 109 T CA 0.758 62.887 62.100 0.049 0.000 1.141 109 T CB -0.164 68.739 68.868 0.059 0.000 0.868 109 T HN 0.108 nan 8.240 nan 0.000 0.444 110 I N 1.907 122.501 120.570 0.040 0.000 2.163 110 I HA -0.267 3.904 4.170 0.000 0.000 0.243 110 I C 2.824 178.961 176.117 0.033 0.000 1.085 110 I CA 1.613 62.943 61.300 0.049 0.000 1.347 110 I CB -0.421 37.591 38.000 0.021 0.000 1.044 110 I HN 0.319 nan 8.210 nan 0.000 0.408 111 R N 0.958 121.465 120.500 0.012 0.000 2.115 111 R HA -0.128 4.213 4.340 0.000 0.000 0.226 111 R C 2.295 178.603 176.300 0.013 0.000 1.100 111 R CA 0.898 57.004 56.100 0.011 0.000 0.980 111 R CB -0.864 29.438 30.300 0.003 0.000 0.875 111 R HN 0.222 nan 8.270 nan 0.000 0.445 112 L N 1.008 122.241 121.223 0.017 0.000 1.990 112 L HA -0.094 4.246 4.340 0.000 0.000 0.213 112 L C 1.932 178.814 176.870 0.021 0.000 1.072 112 L CA 1.914 56.764 54.840 0.016 0.000 0.755 112 L CB -0.249 41.824 42.059 0.023 0.000 0.889 112 L HN 0.215 nan 8.230 nan 0.000 0.432 113 M N -1.078 118.544 119.600 0.037 0.000 2.556 113 M HA 0.194 4.674 4.480 0.000 0.000 0.245 113 M C 1.978 178.297 176.300 0.033 0.000 1.128 113 M CA 0.899 56.225 55.300 0.043 0.000 1.069 113 M CB -1.447 31.178 32.600 0.042 0.000 1.469 113 M HN 0.406 nan 8.290 nan 0.000 0.494 114 G N -0.136 108.677 108.800 0.022 0.000 2.683 114 G HA2 -0.073 3.887 3.960 0.000 0.000 0.213 114 G HA3 -0.073 3.887 3.960 0.000 0.000 0.213 114 G C -0.012 174.879 174.900 -0.015 0.000 1.142 114 G CA -0.051 45.053 45.100 0.006 0.000 0.793 114 G HN 0.427 nan 8.290 nan 0.000 0.534 115 D N -0.447 119.947 120.400 -0.010 0.000 2.274 115 D HA 0.325 4.965 4.640 0.000 0.000 0.239 115 D C 1.439 177.719 176.300 -0.034 0.000 1.104 115 D CA -0.435 53.551 54.000 -0.023 0.000 0.840 115 D CB 1.020 41.810 40.800 -0.016 0.000 1.100 115 D HN -0.055 nan 8.370 nan 0.000 0.477 116 K N 2.132 122.504 120.400 -0.047 0.000 2.097 116 K HA -0.079 4.241 4.320 0.000 0.000 0.205 116 K C 1.699 178.140 176.600 -0.266 0.000 1.050 116 K CA 0.719 56.950 56.287 -0.094 0.000 0.938 116 K CB 0.082 32.590 32.500 0.012 0.000 0.718 116 K HN 0.331 nan 8.250 nan 0.000 0.442 117 V N 1.729 121.467 119.914 -0.294 0.000 2.261 117 V HA -0.275 3.846 4.120 0.000 0.000 0.246 117 V C 2.540 178.542 176.094 -0.153 0.000 1.047 117 V CA 2.314 64.430 62.300 -0.306 0.000 1.015 117 V CB -0.597 31.121 31.823 -0.175 0.000 0.642 117 V HN 0.444 nan 8.190 nan 0.000 0.446 118 S N 1.010 116.659 115.700 -0.085 0.000 2.382 118 S HA -0.153 4.317 4.470 0.000 0.000 0.228 118 S C 2.093 176.669 174.600 -0.040 0.000 1.027 118 S CA 1.374 59.544 58.200 -0.050 0.000 0.991 118 S CB -0.584 62.599 63.200 -0.027 0.000 0.823 118 S HN 0.574 nan 8.310 nan 0.000 0.469 119 A N 2.212 125.020 122.820 -0.021 0.000 1.858 119 A HA 0.058 4.379 4.320 0.000 0.000 0.216 119 A C 2.254 179.835 177.584 -0.006 0.000 1.190 119 A CA 1.574 53.626 52.037 0.026 0.000 0.617 119 A CB -0.916 18.163 19.000 0.132 0.000 0.827 119 A HN 0.574 nan 8.150 nan 0.000 0.443 120 I N -0.215 120.377 120.570 0.037 0.000 2.226 120 I HA -0.288 3.883 4.170 0.000 0.000 0.245 120 I C 2.982 179.063 176.117 -0.060 0.000 1.100 120 I CA 1.038 62.356 61.300 0.030 0.000 1.374 120 I CB -0.365 37.646 38.000 0.018 0.000 1.057 120 I HN 0.366 nan 8.210 nan 0.000 0.413 121 A N 0.815 123.596 122.820 -0.064 0.000 1.883 121 A HA -0.221 4.100 4.320 0.000 0.000 0.217 121 A C 2.551 180.095 177.584 -0.067 0.000 1.186 121 A CA 2.074 54.078 52.037 -0.055 0.000 0.624 121 A CB -0.949 18.023 19.000 -0.047 0.000 0.822 121 A HN 0.441 nan 8.150 nan 0.000 0.444 122 A N -1.105 121.669 122.820 -0.077 0.000 1.933 122 A HA -0.116 4.204 4.320 0.000 0.000 0.218 122 A C 2.171 179.677 177.584 -0.130 0.000 1.175 122 A CA 1.991 53.979 52.037 -0.082 0.000 0.628 122 A CB -0.451 18.513 19.000 -0.060 0.000 0.814 122 A HN 0.445 nan 8.150 nan 0.000 0.444 123 M N -0.403 119.062 119.600 -0.224 0.000 2.156 123 M HA -0.056 4.424 4.480 0.000 0.000 0.264 123 M C 1.967 178.152 176.300 -0.191 0.000 1.067 123 M CA 1.381 56.487 55.300 -0.325 0.000 1.131 123 M CB -1.146 31.002 32.600 -0.754 0.000 1.368 123 M HN 0.387 nan 8.290 nan 0.000 0.416 124 K N 0.356 120.683 120.400 -0.120 0.000 2.032 124 K HA -0.195 4.125 4.320 0.000 0.000 0.209 124 K C 2.117 178.684 176.600 -0.056 0.000 1.048 124 K CA 1.363 57.617 56.287 -0.056 0.000 0.927 124 K CB -0.203 32.284 32.500 -0.022 0.000 0.712 124 K HN 0.239 nan 8.250 nan 0.000 0.441 125 K N 0.474 120.838 120.400 -0.060 0.000 2.103 125 K HA -0.144 4.176 4.320 0.000 0.000 0.207 125 K C 1.836 178.398 176.600 -0.062 0.000 1.048 125 K CA 1.388 57.644 56.287 -0.051 0.000 0.930 125 K CB -0.065 32.408 32.500 -0.045 0.000 0.716 125 K HN 0.136 nan 8.250 nan 0.000 0.444 126 A N -0.230 122.538 122.820 -0.086 0.000 2.167 126 A HA 0.135 4.455 4.320 0.000 0.000 0.214 126 A C 1.405 178.921 177.584 -0.114 0.000 1.151 126 A CA 1.123 53.101 52.037 -0.098 0.000 0.735 126 A CB -0.287 18.642 19.000 -0.119 0.000 0.802 126 A HN 0.576 nan 8.150 nan 0.000 0.467 127 G N -1.917 106.821 108.800 -0.105 0.000 2.144 127 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 127 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 127 G C 0.112 174.937 174.900 -0.125 0.000 0.988 127 G CA 0.022 45.058 45.100 -0.105 0.000 0.659 127 G HN 0.725 nan 8.290 nan 0.000 0.522 128 V N 3.119 122.952 119.914 -0.134 0.000 2.555 128 V HA 0.393 4.514 4.120 0.000 0.000 0.286 128 V C -1.175 174.937 176.094 0.029 0.000 1.044 128 V CA -1.106 61.136 62.300 -0.097 0.000 1.026 128 V CB 1.249 32.960 31.823 -0.186 0.000 0.981 128 V HN 0.254 nan 8.190 nan 0.000 0.480 129 P HA 0.178 nan 4.420 nan 0.000 0.271 129 P C -0.569 176.924 177.300 0.321 0.000 1.226 129 P CA -0.045 63.162 63.100 0.178 0.000 0.765 129 P CB 0.525 32.307 31.700 0.137 0.000 0.835 130 C N 2.782 122.256 119.300 0.290 0.000 2.505 130 C HA 0.431 4.891 4.460 0.000 0.000 0.358 130 C C 0.508 175.756 174.990 0.430 0.000 1.226 130 C CA -0.615 58.624 59.018 0.369 0.000 1.900 130 C CB 1.977 29.867 27.740 0.251 0.000 2.306 130 C HN 0.348 nan 8.230 nan 0.000 0.512 131 V N 3.248 123.386 119.914 0.372 0.000 2.555 131 V HA 0.177 4.297 4.120 0.000 0.000 0.286 131 V C -2.001 174.195 176.094 0.169 0.000 1.044 131 V CA -0.750 61.694 62.300 0.240 0.000 1.026 131 V CB 0.335 32.229 31.823 0.118 0.000 0.981 131 V HN 0.769 nan 8.190 nan 0.000 0.480 132 P HA 0.333 nan 4.420 nan 0.000 0.262 132 P C 0.275 177.619 177.300 0.072 0.000 1.182 132 P CA 0.666 63.817 63.100 0.085 0.000 0.761 132 P CB 0.497 32.227 31.700 0.050 0.000 0.795 133 G N 0.389 109.237 108.800 0.080 0.000 2.561 133 G HA2 0.322 4.282 3.960 0.000 0.000 0.310 133 G HA3 0.322 4.282 3.960 0.000 0.000 0.310 133 G C 0.692 175.641 174.900 0.082 0.000 1.292 133 G CA 0.019 45.177 45.100 0.097 0.000 0.811 133 G HN 0.318 nan 8.290 nan 0.000 0.482 134 S N -0.605 115.161 115.700 0.110 0.000 2.447 134 S HA 0.009 4.479 4.470 0.000 0.000 0.233 134 S C 0.632 175.271 174.600 0.065 0.000 1.006 134 S CA 1.474 59.724 58.200 0.083 0.000 0.957 134 S CB -0.225 63.041 63.200 0.109 0.000 0.773 134 S HN 0.706 nan 8.310 nan 0.000 0.507 135 D N 1.726 122.164 120.400 0.062 0.000 2.697 135 D HA -0.019 4.622 4.640 0.000 0.000 0.235 135 D C 0.352 176.658 176.300 0.010 0.000 1.167 135 D CA 1.563 55.575 54.000 0.021 0.000 0.656 135 D CB -1.642 39.172 40.800 0.024 0.000 1.025 135 D HN 0.952 nan 8.370 nan 0.000 0.419 136 G N -0.902 107.905 108.800 0.011 0.000 2.350 136 G HA2 0.322 4.282 3.960 0.000 0.000 0.304 136 G HA3 0.322 4.282 3.960 0.000 0.000 0.304 136 G C -3.261 171.674 174.900 0.058 0.000 1.421 136 G CA -0.889 44.221 45.100 0.016 0.000 0.934 136 G HN -0.002 nan 8.290 nan 0.000 0.632 137 P HA 0.487 nan 4.420 nan 0.000 0.275 137 P C -0.442 176.905 177.300 0.079 0.000 1.228 137 P CA -0.448 62.705 63.100 0.088 0.000 0.786 137 P CB 1.121 32.860 31.700 0.065 0.000 0.927 138 L N 2.250 123.526 121.223 0.088 0.000 2.380 138 L HA 0.398 4.738 4.340 0.000 0.000 0.273 138 L C 1.431 178.331 176.870 0.049 0.000 1.138 138 L CA 0.502 55.379 54.840 0.062 0.000 0.832 138 L CB -0.231 41.862 42.059 0.057 0.000 1.124 138 L HN 0.547 nan 8.230 nan 0.000 0.454 139 G N 1.511 110.334 108.800 0.039 0.000 2.531 139 G HA2 0.221 4.182 3.960 0.000 0.000 0.281 139 G HA3 0.221 4.182 3.960 0.000 0.000 0.281 139 G C 0.258 175.175 174.900 0.030 0.000 1.382 139 G CA -0.329 44.791 45.100 0.033 0.000 1.045 139 G HN 0.672 nan 8.290 nan 0.000 0.533 140 D N -0.716 119.699 120.400 0.026 0.000 2.348 140 D HA -0.003 4.637 4.640 0.000 0.000 0.211 140 D C 0.156 176.469 176.300 0.021 0.000 0.998 140 D CA 0.192 54.206 54.000 0.023 0.000 0.873 140 D CB 0.356 41.169 40.800 0.021 0.000 0.925 140 D HN 0.243 nan 8.370 nan 0.000 0.524 141 D N 1.329 121.741 120.400 0.021 0.000 2.348 141 D HA -0.034 4.606 4.640 0.000 0.000 0.259 141 D C 1.211 177.524 176.300 0.022 0.000 1.296 141 D CA -0.126 53.886 54.000 0.020 0.000 0.931 141 D CB 0.676 41.487 40.800 0.018 0.000 1.067 141 D HN -0.197 nan 8.370 nan 0.000 0.503 142 M N 2.396 122.009 119.600 0.022 0.000 2.476 142 M HA -0.073 4.407 4.480 0.000 0.000 0.262 142 M C 1.008 177.324 176.300 0.027 0.000 1.079 142 M CA 0.647 55.962 55.300 0.025 0.000 1.104 142 M CB -0.209 32.405 32.600 0.024 0.000 1.409 142 M HN 0.407 nan 8.290 nan 0.000 0.467 143 D N 0.372 120.785 120.400 0.023 0.000 2.103 143 D HA -0.109 4.531 4.640 0.000 0.000 0.199 143 D C 1.903 178.216 176.300 0.021 0.000 0.978 143 D CA 1.055 55.068 54.000 0.022 0.000 0.829 143 D CB -0.020 40.791 40.800 0.019 0.000 0.981 143 D HN 0.357 nan 8.370 nan 0.000 0.464 144 K N 0.798 121.210 120.400 0.019 0.000 2.063 144 K HA -0.109 4.211 4.320 0.000 0.000 0.208 144 K C 1.936 178.546 176.600 0.017 0.000 1.048 144 K CA 1.016 57.313 56.287 0.017 0.000 0.928 144 K CB -0.169 32.341 32.500 0.018 0.000 0.713 144 K HN 0.163 nan 8.250 nan 0.000 0.442 145 N N 0.440 119.153 118.700 0.021 0.000 2.069 145 N HA -0.152 4.589 4.740 0.000 0.000 0.191 145 N C 1.906 177.426 175.510 0.017 0.000 1.031 145 N CA 0.821 53.883 53.050 0.020 0.000 0.852 145 N CB -0.048 38.455 38.487 0.028 0.000 1.018 145 N HN 0.123 nan 8.380 nan 0.000 0.423 146 R N 0.604 121.123 120.500 0.032 0.000 2.105 146 R HA -0.075 4.265 4.340 0.000 0.000 0.239 146 R C 2.273 178.582 176.300 0.016 0.000 1.135 146 R CA 1.266 57.394 56.100 0.046 0.000 0.967 146 R CB -0.215 30.122 30.300 0.062 0.000 0.861 146 R HN 0.233 nan 8.270 nan 0.000 0.442 147 A N 0.832 123.658 122.820 0.010 0.000 1.930 147 A HA -0.123 4.197 4.320 0.000 0.000 0.217 147 A C 2.077 179.649 177.584 -0.020 0.000 1.175 147 A CA 1.090 53.127 52.037 0.001 0.000 0.627 147 A CB -0.375 18.629 19.000 0.007 0.000 0.815 147 A HN 0.199 nan 8.150 nan 0.000 0.443 148 I N -0.212 120.345 120.570 -0.022 0.000 2.179 148 I HA -0.281 3.890 4.170 0.000 0.000 0.242 148 I C 2.957 179.020 176.117 -0.091 0.000 1.088 148 I CA 1.102 62.381 61.300 -0.034 0.000 1.357 148 I CB -0.327 37.665 38.000 -0.013 0.000 1.051 148 I HN 0.350 nan 8.210 nan 0.000 0.409 149 A N 0.522 123.256 122.820 -0.143 0.000 1.933 149 A HA -0.253 4.067 4.320 0.000 0.000 0.218 149 A C 2.391 179.745 177.584 -0.383 0.000 1.175 149 A CA 1.769 53.593 52.037 -0.355 0.000 0.628 149 A CB -0.508 18.209 19.000 -0.471 0.000 0.814 149 A HN 0.355 nan 8.150 nan 0.000 0.444 150 K N 0.225 120.518 120.400 -0.179 0.000 2.002 150 K HA -0.234 4.086 4.320 0.000 0.000 0.209 150 K C 2.330 178.887 176.600 -0.072 0.000 1.048 150 K CA 1.747 57.983 56.287 -0.085 0.000 0.930 150 K CB -0.215 32.278 32.500 -0.012 0.000 0.714 150 K HN 0.629 nan 8.250 nan 0.000 0.438 151 R N 0.177 120.642 120.500 -0.059 0.000 2.115 151 R HA -0.037 4.303 4.340 0.000 0.000 0.230 151 R C 2.234 178.508 176.300 -0.042 0.000 1.111 151 R CA 1.423 57.502 56.100 -0.035 0.000 0.976 151 R CB -0.625 29.664 30.300 -0.018 0.000 0.870 151 R HN 0.185 nan 8.270 nan 0.000 0.445 152 I N 1.039 121.564 120.570 -0.075 0.000 2.252 152 I HA 0.000 4.171 4.170 0.000 0.000 0.245 152 I C 0.782 176.852 176.117 -0.078 0.000 1.102 152 I CA 1.347 62.604 61.300 -0.071 0.000 1.385 152 I CB -0.542 37.402 38.000 -0.093 0.000 1.064 152 I HN 0.560 nan 8.210 nan 0.000 0.414 153 G N 0.108 108.830 108.800 -0.130 0.000 3.172 153 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 153 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 153 G C -0.656 174.191 174.900 -0.088 0.000 1.009 153 G CA -0.946 44.105 45.100 -0.081 0.000 0.787 153 G HN 0.052 nan 8.290 nan 0.000 0.559 154 Y N 2.625 122.937 120.300 0.019 0.000 2.457 154 Y HA 0.415 4.966 4.550 0.000 0.000 0.341 154 Y C -0.548 175.374 175.900 0.035 0.000 1.240 154 Y CA -0.523 57.590 58.100 0.023 0.000 1.437 154 Y CB 0.357 38.823 38.460 0.010 0.000 1.328 154 Y HN 0.554 nan 8.280 nan 0.000 0.588 155 P HA 0.225 nan 4.420 nan 0.000 0.275 155 P C -0.887 176.546 177.300 0.221 0.000 1.228 155 P CA -0.247 63.023 63.100 0.285 0.000 0.786 155 P CB 1.233 33.068 31.700 0.226 0.000 0.927 156 V N 0.555 120.586 119.914 0.195 0.000 3.166 156 V HA 0.706 4.826 4.120 0.000 0.000 0.317 156 V C -0.398 175.737 176.094 0.067 0.000 1.136 156 V CA -1.144 61.205 62.300 0.083 0.000 1.035 156 V CB 2.028 33.815 31.823 -0.060 0.000 1.110 156 V HN 0.547 nan 8.190 nan 0.000 0.450 157 I N 1.382 121.977 120.570 0.042 0.000 2.582 157 I HA 0.534 4.705 4.170 0.000 0.000 0.292 157 I C -1.364 174.702 176.117 -0.083 0.000 1.066 157 I CA -0.902 60.391 61.300 -0.012 0.000 1.053 157 I CB 1.824 39.876 38.000 0.086 0.000 1.241 157 I HN 0.577 nan 8.210 nan 0.000 0.421 158 I N 7.039 127.547 120.570 -0.103 0.000 2.331 158 I HA 0.398 4.568 4.170 0.000 0.000 0.292 158 I C -0.301 175.687 176.117 -0.215 0.000 0.998 158 I CA -0.437 60.774 61.300 -0.148 0.000 1.267 158 I CB 0.908 38.862 38.000 -0.076 0.000 1.386 158 I HN 0.517 nan 8.210 nan 0.000 0.476 159 K N 4.277 124.432 120.400 -0.410 0.000 2.378 159 K HA 0.729 5.050 4.320 0.000 0.000 0.252 159 K C -0.584 175.828 176.600 -0.313 0.000 0.931 159 K CA -0.752 55.268 56.287 -0.446 0.000 0.794 159 K CB 2.664 34.717 32.500 -0.745 0.000 1.181 159 K HN 0.674 nan 8.250 nan 0.000 0.425 160 A N 1.274 124.044 122.820 -0.084 0.000 2.409 160 A HA 0.101 4.422 4.320 0.000 0.000 0.262 160 A C 1.219 178.854 177.584 0.084 0.000 1.113 160 A CA -0.090 51.972 52.037 0.041 0.000 0.790 160 A CB 0.868 19.948 19.000 0.133 0.000 1.046 160 A HN 0.800 nan 8.150 nan 0.000 0.496 161 S N 2.435 118.239 115.700 0.174 0.000 2.371 161 S HA -0.052 4.418 4.470 0.000 0.000 0.224 161 S C 1.778 176.364 174.600 -0.023 0.000 1.029 161 S CA 1.828 60.131 58.200 0.172 0.000 0.978 161 S CB -0.373 62.911 63.200 0.140 0.000 0.833 161 S HN 1.070 nan 8.310 nan 0.000 0.466 162 G N -0.011 108.724 108.800 -0.109 0.000 2.848 162 G HA2 0.222 4.182 3.960 0.000 0.000 0.208 162 G HA3 0.222 4.182 3.960 0.000 0.000 0.208 162 G C 0.727 175.147 174.900 -0.800 0.000 1.152 162 G CA 0.267 45.210 45.100 -0.263 0.000 0.789 162 G HN 0.596 nan 8.290 nan 0.000 0.531 163 G N 0.860 109.112 108.800 -0.914 0.000 2.789 163 G HA2 0.386 4.347 3.960 0.000 0.000 0.281 163 G HA3 0.386 4.347 3.960 0.000 0.000 0.281 163 G C 0.872 175.465 174.900 -0.513 0.000 0.708 163 G CA 0.109 44.510 45.100 -1.164 0.000 2.067 163 G HN 0.323 nan 8.290 nan 0.000 0.554 164 G N 0.529 109.062 108.800 -0.445 0.000 3.452 164 G HA2 0.510 4.471 3.960 0.000 0.000 0.258 164 G HA3 0.510 4.471 3.960 0.000 0.000 0.258 164 G C 0.546 175.408 174.900 -0.064 0.000 1.305 164 G CA 0.256 45.259 45.100 -0.162 0.000 1.514 164 G HN 0.917 nan 8.290 nan 0.000 0.593 165 G N -2.041 106.726 108.800 -0.056 0.000 2.523 165 G HA2 0.482 4.443 3.960 0.000 0.000 0.291 165 G HA3 0.482 4.443 3.960 0.000 0.000 0.291 165 G C 0.833 175.772 174.900 0.066 0.000 1.450 165 G CA 0.240 45.369 45.100 0.048 0.000 0.790 165 G HN 0.462 nan 8.290 nan 0.000 0.496 166 G N -0.115 108.732 108.800 0.079 0.000 2.599 166 G HA2 -0.130 3.830 3.960 0.000 0.000 0.219 166 G HA3 -0.130 3.830 3.960 0.000 0.000 0.219 166 G C 1.091 176.038 174.900 0.078 0.000 1.193 166 G CA 1.555 46.697 45.100 0.069 0.000 0.778 166 G HN 0.756 nan 8.290 nan 0.000 0.589 167 R N 0.145 120.730 120.500 0.142 0.000 2.738 167 R HA 0.434 4.774 4.340 0.000 0.000 0.268 167 R C 0.858 177.273 176.300 0.191 0.000 1.062 167 R CA 0.993 57.178 56.100 0.141 0.000 1.158 167 R CB 0.259 30.631 30.300 0.119 0.000 1.046 167 R HN 0.901 nan 8.270 nan 0.000 0.493 168 G N 2.060 110.938 108.800 0.130 0.000 2.309 168 G HA2 -0.159 3.801 3.960 0.000 0.000 0.183 168 G HA3 -0.159 3.801 3.960 0.000 0.000 0.183 168 G C -0.555 174.363 174.900 0.030 0.000 1.063 168 G CA -0.085 45.095 45.100 0.132 0.000 0.768 168 G HN 0.453 nan 8.290 nan 0.000 0.490 169 M N -0.637 118.963 119.600 0.000 0.000 2.371 169 M HA 0.625 5.106 4.480 0.000 0.000 0.287 169 M C -0.385 175.893 176.300 -0.037 0.000 1.149 169 M CA -0.710 54.563 55.300 -0.045 0.000 0.929 169 M CB 2.614 35.172 32.600 -0.070 0.000 1.683 169 M HN 0.205 nan 8.290 nan 0.000 0.470 170 R N 2.153 122.617 120.500 -0.060 0.000 2.510 170 R HA 0.602 4.942 4.340 0.000 0.000 0.287 170 R C -1.790 174.446 176.300 -0.107 0.000 1.084 170 R CA -0.528 55.532 56.100 -0.066 0.000 0.934 170 R CB 1.948 32.221 30.300 -0.044 0.000 1.201 170 R HN 0.541 nan 8.270 nan 0.000 0.431 171 V N 4.686 124.496 119.914 -0.174 0.000 2.530 171 V HA 0.307 4.427 4.120 0.000 0.000 0.282 171 V C -0.077 175.921 176.094 -0.161 0.000 1.048 171 V CA -0.374 61.753 62.300 -0.289 0.000 0.997 171 V CB 1.448 32.925 31.823 -0.578 0.000 0.987 171 V HN 0.419 nan 8.190 nan 0.000 0.477 172 V N 6.255 126.121 119.914 -0.080 0.000 2.487 172 V HA 0.474 4.594 4.120 0.000 0.000 0.298 172 V C 0.574 176.707 176.094 0.064 0.000 1.028 172 V CA -0.647 61.660 62.300 0.011 0.000 0.860 172 V CB 1.651 33.550 31.823 0.127 0.000 0.991 172 V HN 0.852 nan 8.190 nan 0.000 0.427 173 R N 2.471 122.906 120.500 -0.109 0.000 2.373 173 R HA 0.476 4.816 4.340 0.000 0.000 0.221 173 R C 0.688 176.613 176.300 -0.624 0.000 0.893 173 R CA 0.427 56.418 56.100 -0.182 0.000 1.049 173 R CB 1.365 31.592 30.300 -0.122 0.000 1.119 173 R HN 0.804 nan 8.270 nan 0.000 0.535 174 G N -0.460 107.841 108.800 -0.832 0.000 2.649 174 G HA2 0.093 4.053 3.960 0.000 0.000 0.290 174 G HA3 0.093 4.053 3.960 0.000 0.000 0.290 174 G C -0.764 173.760 174.900 -0.626 0.000 1.426 174 G CA -0.554 43.953 45.100 -0.989 0.000 0.794 174 G HN -0.214 nan 8.290 nan 0.000 0.483 175 D N 0.102 120.298 120.400 -0.340 0.000 2.178 175 D HA -0.111 4.530 4.640 0.000 0.000 0.201 175 D C 2.650 178.924 176.300 -0.043 0.000 0.980 175 D CA 1.520 55.493 54.000 -0.045 0.000 0.842 175 D CB -0.108 40.704 40.800 0.021 0.000 0.948 175 D HN 0.463 nan 8.370 nan 0.000 0.472 176 A N 0.930 123.700 122.820 -0.084 0.000 1.908 176 A HA -0.210 4.110 4.320 0.000 0.000 0.218 176 A C 1.900 179.458 177.584 -0.044 0.000 1.181 176 A CA 1.559 53.563 52.037 -0.056 0.000 0.627 176 A CB -0.338 18.623 19.000 -0.065 0.000 0.818 176 A HN 0.107 nan 8.150 nan 0.000 0.445 177 E N -1.011 119.153 120.200 -0.061 0.000 2.479 177 E HA 0.149 4.499 4.350 0.000 0.000 0.193 177 E C 1.499 178.092 176.600 -0.011 0.000 1.049 177 E CA -0.113 56.263 56.400 -0.042 0.000 0.870 177 E CB 0.025 29.689 29.700 -0.060 0.000 0.944 177 E HN 0.476 nan 8.360 nan 0.000 0.492 178 L N 0.841 122.073 121.223 0.014 0.000 1.994 178 L HA -0.100 4.240 4.340 0.000 0.000 0.208 178 L C 2.064 178.955 176.870 0.036 0.000 1.071 178 L CA 2.070 56.946 54.840 0.059 0.000 0.745 178 L CB -0.787 41.345 42.059 0.122 0.000 0.892 178 L HN 0.150 nan 8.230 nan 0.000 0.431 179 A N -1.387 121.449 122.820 0.027 0.000 1.877 179 A HA -0.237 4.083 4.320 0.000 0.000 0.216 179 A C 2.241 179.832 177.584 0.012 0.000 1.186 179 A CA 1.674 53.722 52.037 0.020 0.000 0.620 179 A CB -0.666 18.343 19.000 0.016 0.000 0.822 179 A HN 0.592 nan 8.150 nan 0.000 0.443 180 Q N 0.027 119.829 119.800 0.005 0.000 2.061 180 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 180 Q C 2.510 178.509 176.000 -0.001 0.000 0.984 180 Q CA 1.942 57.744 55.803 -0.000 0.000 0.846 180 Q CB -0.453 28.281 28.738 -0.007 0.000 0.902 180 Q HN 0.665 nan 8.270 nan 0.000 0.421 181 S N 0.788 116.487 115.700 -0.002 0.000 2.382 181 S HA -0.107 4.363 4.470 0.000 0.000 0.228 181 S C 2.046 176.645 174.600 -0.002 0.000 1.027 181 S CA 0.921 59.117 58.200 -0.006 0.000 0.991 181 S CB -0.214 62.981 63.200 -0.009 0.000 0.823 181 S HN 0.311 nan 8.310 nan 0.000 0.469 182 I N 1.403 121.977 120.570 0.006 0.000 2.202 182 I HA -0.168 4.002 4.170 0.000 0.000 0.242 182 I C 2.462 178.586 176.117 0.012 0.000 1.091 182 I CA 0.991 62.297 61.300 0.009 0.000 1.368 182 I CB -0.531 37.479 38.000 0.017 0.000 1.058 182 I HN 0.216 nan 8.210 nan 0.000 0.410 183 S N 0.640 116.347 115.700 0.012 0.000 2.359 183 S HA -0.264 4.206 4.470 0.000 0.000 0.224 183 S C 1.990 176.596 174.600 0.010 0.000 1.035 183 S CA 1.733 59.940 58.200 0.012 0.000 1.018 183 S CB -0.390 62.815 63.200 0.009 0.000 0.876 183 S HN 0.299 nan 8.310 nan 0.000 0.448 184 M N 1.478 121.081 119.600 0.005 0.000 2.065 184 M HA -0.136 4.344 4.480 0.000 0.000 0.259 184 M C 2.168 178.472 176.300 0.008 0.000 1.069 184 M CA 1.610 56.911 55.300 0.002 0.000 1.110 184 M CB -0.831 31.767 32.600 -0.003 0.000 1.328 184 M HN 0.266 nan 8.290 nan 0.000 0.405 185 T N -0.655 113.905 114.554 0.010 0.000 2.746 185 T HA -0.164 4.186 4.350 0.000 0.000 0.267 185 T C 1.814 176.539 174.700 0.042 0.000 1.039 185 T CA 1.579 63.692 62.100 0.021 0.000 1.142 185 T CB -0.385 68.486 68.868 0.005 0.000 0.866 185 T HN 0.396 nan 8.240 nan 0.000 0.444 186 R N 0.978 121.500 120.500 0.035 0.000 2.083 186 R HA -0.062 4.278 4.340 0.000 0.000 0.237 186 R C 2.630 178.954 176.300 0.040 0.000 1.137 186 R CA 1.474 57.601 56.100 0.046 0.000 0.951 186 R CB -0.477 29.845 30.300 0.037 0.000 0.851 186 R HN 0.387 nan 8.270 nan 0.000 0.434 187 A N 0.867 123.700 122.820 0.022 0.000 1.877 187 A HA -0.185 4.136 4.320 0.000 0.000 0.216 187 A C 1.917 179.496 177.584 -0.007 0.000 1.186 187 A CA 1.657 53.699 52.037 0.008 0.000 0.620 187 A CB -0.463 18.538 19.000 0.001 0.000 0.822 187 A HN 0.499 nan 8.150 nan 0.000 0.443 188 E N -0.275 119.920 120.200 -0.007 0.000 2.110 188 E HA -0.102 4.248 4.350 0.000 0.000 0.193 188 E C 2.315 178.867 176.600 -0.081 0.000 0.988 188 E CA 0.871 57.246 56.400 -0.042 0.000 0.804 188 E CB -0.288 29.402 29.700 -0.017 0.000 0.745 188 E HN 0.620 nan 8.360 nan 0.000 0.458 189 A N 1.807 124.651 122.820 0.040 0.000 1.902 189 A HA -0.241 4.079 4.320 0.000 0.000 0.217 189 A C 2.075 179.706 177.584 0.077 0.000 1.181 189 A CA 1.663 53.808 52.037 0.181 0.000 0.623 189 A CB -0.385 18.785 19.000 0.283 0.000 0.818 189 A HN 0.065 nan 8.150 nan 0.000 0.443 190 K N -0.402 120.023 120.400 0.042 0.000 2.057 190 K HA -0.096 4.224 4.320 0.000 0.000 0.207 190 K C 2.139 178.717 176.600 -0.035 0.000 1.049 190 K CA 1.222 57.524 56.287 0.025 0.000 0.931 190 K CB -0.307 32.207 32.500 0.023 0.000 0.714 190 K HN 0.381 nan 8.250 nan 0.000 0.440 191 A N 0.634 123.404 122.820 -0.085 0.000 1.898 191 A HA -0.045 4.275 4.320 0.000 0.000 0.216 191 A C 2.198 179.662 177.584 -0.200 0.000 1.181 191 A CA 1.802 53.771 52.037 -0.113 0.000 0.620 191 A CB -0.521 18.417 19.000 -0.103 0.000 0.819 191 A HN 0.463 nan 8.150 nan 0.000 0.442 192 A N -1.913 120.660 122.820 -0.410 0.000 1.997 192 A HA 0.389 4.709 4.320 0.000 0.000 0.212 192 A C 1.442 178.627 177.584 -0.665 0.000 1.178 192 A CA 0.937 52.543 52.037 -0.718 0.000 0.698 192 A CB -0.205 18.022 19.000 -1.287 0.000 0.842 192 A HN 0.518 nan 8.150 nan 0.000 0.458 193 F N -1.353 118.615 119.950 0.030 0.000 2.746 193 F HA 0.240 4.767 4.527 0.000 0.000 0.320 193 F C 1.066 176.886 175.800 0.032 0.000 1.097 193 F CA 0.308 58.328 58.000 0.034 0.000 1.195 193 F CB 0.285 39.307 39.000 0.038 0.000 1.056 193 F HN -0.013 nan 8.300 nan 0.000 0.562 194 S N 1.856 117.623 115.700 0.112 0.000 3.521 194 S HA -0.267 4.203 4.470 0.000 0.000 0.362 194 S C -0.300 174.367 174.600 0.112 0.000 1.044 194 S CA 0.934 59.185 58.200 0.085 0.000 1.091 194 S CB -1.501 61.739 63.200 0.066 0.000 0.908 194 S HN 0.590 nan 8.310 nan 0.000 0.473 195 N N 0.974 119.769 118.700 0.159 0.000 2.571 195 N HA 0.250 4.990 4.740 0.000 0.000 0.286 195 N C -0.380 175.225 175.510 0.159 0.000 1.138 195 N CA -0.437 52.700 53.050 0.146 0.000 0.859 195 N CB 1.276 39.855 38.487 0.153 0.000 1.414 195 N HN 0.143 nan 8.380 nan 0.000 0.529 196 D N 2.899 123.364 120.400 0.110 0.000 2.328 196 D HA 0.011 4.651 4.640 0.000 0.000 0.226 196 D C 0.634 176.993 176.300 0.097 0.000 1.066 196 D CA -0.111 53.949 54.000 0.100 0.000 0.861 196 D CB -0.123 40.718 40.800 0.067 0.000 0.912 196 D HN 0.527 nan 8.370 nan 0.000 0.521 197 M N 1.841 121.502 119.600 0.102 0.000 2.246 197 M HA 0.172 4.652 4.480 0.000 0.000 0.350 197 M C -0.605 175.771 176.300 0.126 0.000 1.406 197 M CA -0.194 55.166 55.300 0.100 0.000 1.089 197 M CB 0.693 33.347 32.600 0.089 0.000 1.782 197 M HN -0.022 nan 8.290 nan 0.000 0.457 198 V N 3.913 123.900 119.914 0.123 0.000 3.001 198 V HA 0.815 4.935 4.120 0.000 0.000 0.314 198 V C -1.360 174.846 176.094 0.186 0.000 1.099 198 V CA -0.810 61.561 62.300 0.118 0.000 0.989 198 V CB 1.619 33.467 31.823 0.040 0.000 1.040 198 V HN 0.929 nan 8.190 nan 0.000 0.434 199 Y N 1.174 121.487 120.300 0.022 0.000 2.665 199 Y HA 0.865 5.416 4.550 0.000 0.000 0.336 199 Y C -0.664 175.247 175.900 0.019 0.000 1.085 199 Y CA -1.810 56.302 58.100 0.020 0.000 1.096 199 Y CB 2.161 40.634 38.460 0.021 0.000 1.301 199 Y HN 0.893 nan 8.280 nan 0.000 0.493 200 M N 2.311 121.972 119.600 0.102 0.000 2.393 200 M HA 0.470 4.950 4.480 0.000 0.000 0.316 200 M C -1.598 174.759 176.300 0.096 0.000 1.087 200 M CA -0.301 55.000 55.300 0.002 0.000 0.937 200 M CB 2.154 34.760 32.600 0.009 0.000 1.668 200 M HN 1.000 nan 8.290 nan 0.000 0.438 201 E N 2.450 122.672 120.200 0.037 0.000 2.429 201 E HA 0.448 4.798 4.350 0.000 0.000 0.276 201 E C -1.556 175.069 176.600 0.041 0.000 0.953 201 E CA -1.209 55.240 56.400 0.082 0.000 0.787 201 E CB 1.545 31.344 29.700 0.166 0.000 1.307 201 E HN 0.474 nan 8.360 nan 0.000 0.458 202 K N 1.010 121.422 120.400 0.020 0.000 2.489 202 K HA -0.025 4.295 4.320 0.000 0.000 0.278 202 K C -1.435 175.190 176.600 0.042 0.000 1.000 202 K CA 0.074 56.362 56.287 0.001 0.000 1.012 202 K CB 0.084 32.544 32.500 -0.067 0.000 0.903 202 K HN 0.525 nan 8.250 nan 0.000 0.485 203 Y N 5.671 125.946 120.300 -0.041 0.000 2.365 203 Y HA 0.286 4.836 4.550 0.000 0.000 0.340 203 Y C -0.848 175.035 175.900 -0.029 0.000 1.016 203 Y CA -0.622 57.466 58.100 -0.020 0.000 1.196 203 Y CB 0.424 38.892 38.460 0.012 0.000 1.167 203 Y HN 0.453 nan 8.280 nan 0.000 0.509 204 L N 6.592 127.483 121.223 -0.553 0.000 2.276 204 L HA 0.282 4.622 4.340 0.000 0.000 0.286 204 L C 0.896 177.450 176.870 -0.526 0.000 1.061 204 L CA -0.263 54.318 54.840 -0.432 0.000 0.807 204 L CB 1.546 43.411 42.059 -0.323 0.000 1.177 204 L HN 0.659 nan 8.230 nan 0.000 0.429 205 E N 1.896 121.945 120.200 -0.251 0.000 2.122 205 E HA -0.105 4.245 4.350 0.000 0.000 0.190 205 E C 0.871 177.508 176.600 0.060 0.000 0.977 205 E CA 0.780 57.123 56.400 -0.095 0.000 0.820 205 E CB 0.303 30.004 29.700 0.001 0.000 0.770 205 E HN 0.601 nan 8.360 nan 0.000 0.462 206 N N 0.183 118.896 118.700 0.022 0.000 2.480 206 N HA 0.144 4.884 4.740 0.000 0.000 0.281 206 N C -2.805 172.718 175.510 0.021 0.000 1.381 206 N CA -1.611 51.481 53.050 0.070 0.000 0.903 206 N CB 0.641 39.153 38.487 0.042 0.000 1.274 206 N HN -0.010 nan 8.380 nan 0.000 0.505 207 P HA 0.336 nan 4.420 nan 0.000 0.282 207 P C -0.638 176.685 177.300 0.037 0.000 1.259 207 P CA -0.326 62.771 63.100 -0.005 0.000 0.826 207 P CB 1.709 33.399 31.700 -0.017 0.000 1.064 208 R N -0.221 120.347 120.500 0.112 0.000 2.573 208 R HA 0.390 4.730 4.340 0.000 0.000 0.272 208 R C 0.119 176.539 176.300 0.201 0.000 1.009 208 R CA -0.645 55.552 56.100 0.161 0.000 1.059 208 R CB 0.437 30.861 30.300 0.207 0.000 1.112 208 R HN 0.607 nan 8.270 nan 0.000 0.517 209 H N 1.031 120.170 119.070 0.115 0.000 2.640 209 H HA 0.346 4.902 4.556 0.000 0.000 0.297 209 H C -1.216 174.208 175.328 0.161 0.000 1.073 209 H CA -0.440 55.688 56.048 0.134 0.000 1.305 209 H CB 0.554 30.369 29.762 0.088 0.000 1.404 209 H HN 0.114 nan 8.280 nan 0.000 0.459 210 V N 6.489 126.445 119.914 0.071 0.000 2.531 210 V HA 0.265 4.385 4.120 0.000 0.000 0.301 210 V C -0.536 175.693 176.094 0.226 0.000 1.034 210 V CA -0.792 61.617 62.300 0.183 0.000 0.865 210 V CB 1.501 33.422 31.823 0.163 0.000 0.995 210 V HN 0.920 nan 8.190 nan 0.000 0.424 211 E N 4.400 124.744 120.200 0.240 0.000 2.288 211 E HA 0.773 5.123 4.350 0.000 0.000 0.268 211 E C -1.747 175.010 176.600 0.261 0.000 0.885 211 E CA -1.034 55.534 56.400 0.280 0.000 0.767 211 E CB 2.734 32.582 29.700 0.247 0.000 1.220 211 E HN 0.363 nan 8.360 nan 0.000 0.427 212 I N 2.034 122.797 120.570 0.322 0.000 2.378 212 I HA 0.130 4.300 4.170 0.000 0.000 0.291 212 I C -0.327 175.949 176.117 0.265 0.000 0.992 212 I CA -0.552 60.896 61.300 0.246 0.000 1.154 212 I CB 1.635 39.745 38.000 0.183 0.000 1.315 212 I HN 0.554 nan 8.210 nan 0.000 0.448 213 Q N 6.099 126.021 119.800 0.204 0.000 2.286 213 Q HA 0.589 4.929 4.340 0.000 0.000 0.257 213 Q C -0.888 175.236 176.000 0.206 0.000 0.941 213 Q CA -0.263 55.649 55.803 0.182 0.000 0.912 213 Q CB 1.095 29.919 28.738 0.142 0.000 1.192 213 Q HN 0.543 nan 8.270 nan 0.000 0.410 214 V N 1.841 121.875 119.914 0.200 0.000 3.046 214 V HA 0.783 4.903 4.120 0.000 0.000 0.316 214 V C -0.928 175.267 176.094 0.169 0.000 1.104 214 V CA -1.049 61.374 62.300 0.205 0.000 1.006 214 V CB 1.948 33.937 31.823 0.276 0.000 1.058 214 V HN 0.754 nan 8.190 nan 0.000 0.440 215 L N 1.727 123.046 121.223 0.159 0.000 2.455 215 L HA 0.928 5.268 4.340 0.000 0.000 0.264 215 L C -0.386 176.577 176.870 0.156 0.000 0.968 215 L CA -0.643 54.285 54.840 0.146 0.000 0.827 215 L CB 2.199 44.306 42.059 0.080 0.000 1.317 215 L HN 1.104 nan 8.230 nan 0.000 0.407 216 A N 1.454 124.375 122.820 0.169 0.000 2.427 216 A HA 0.714 5.034 4.320 0.000 0.000 0.298 216 A C -1.475 176.143 177.584 0.057 0.000 1.036 216 A CA -0.631 51.488 52.037 0.137 0.000 0.701 216 A CB 1.587 20.729 19.000 0.237 0.000 1.250 216 A HN 0.721 nan 8.150 nan 0.000 0.412 217 D N 0.720 121.140 120.400 0.033 0.000 2.549 217 D HA 0.510 5.150 4.640 0.000 0.000 0.270 217 D C 1.038 177.335 176.300 -0.005 0.000 1.181 217 D CA 0.090 54.092 54.000 0.003 0.000 1.070 217 D CB 0.615 41.416 40.800 0.002 0.000 1.154 217 D HN 0.437 nan 8.370 nan 0.000 0.602 218 G N -1.546 107.245 108.800 -0.015 0.000 2.920 218 G HA2 -0.061 3.899 3.960 0.000 0.000 0.208 218 G HA3 -0.061 3.899 3.960 0.000 0.000 0.208 218 G C 0.764 175.659 174.900 -0.009 0.000 1.159 218 G CA 0.052 45.142 45.100 -0.016 0.000 0.784 218 G HN 0.314 nan 8.290 nan 0.000 0.535 219 Q N -0.737 119.061 119.800 -0.004 0.000 2.282 219 Q HA 0.355 4.695 4.340 0.000 0.000 0.206 219 Q C 1.667 177.669 176.000 0.003 0.000 0.878 219 Q CA 0.598 56.400 55.803 -0.002 0.000 0.944 219 Q CB 0.776 29.512 28.738 -0.003 0.000 1.100 219 Q HN 0.382 nan 8.270 nan 0.000 0.509 220 G N 0.040 108.846 108.800 0.009 0.000 2.175 220 G HA2 -0.228 3.733 3.960 0.000 0.000 0.244 220 G HA3 -0.228 3.733 3.960 0.000 0.000 0.244 220 G C -0.113 174.800 174.900 0.022 0.000 0.982 220 G CA -0.270 44.839 45.100 0.016 0.000 0.641 220 G HN 0.274 nan 8.290 nan 0.000 0.527 221 N N 1.112 119.824 118.700 0.020 0.000 2.529 221 N HA 0.610 5.350 4.740 0.000 0.000 0.278 221 N C 0.041 175.576 175.510 0.041 0.000 1.146 221 N CA 0.895 53.958 53.050 0.021 0.000 0.980 221 N CB 1.640 40.133 38.487 0.009 0.000 1.124 221 N HN 1.003 nan 8.380 nan 0.000 0.458 222 A N 2.060 124.907 122.820 0.046 0.000 2.437 222 A HA 0.626 4.946 4.320 0.000 0.000 0.293 222 A C -0.430 177.192 177.584 0.064 0.000 1.038 222 A CA -0.782 51.301 52.037 0.077 0.000 0.708 222 A CB 0.748 19.808 19.000 0.099 0.000 1.251 222 A HN 0.689 nan 8.150 nan 0.000 0.409 223 I N -0.396 120.212 120.570 0.064 0.000 2.892 223 I HA 0.888 5.059 4.170 0.000 0.000 0.306 223 I C -0.863 175.305 176.117 0.085 0.000 1.078 223 I CA -1.243 60.065 61.300 0.013 0.000 1.032 223 I CB 2.089 40.040 38.000 -0.081 0.000 1.229 223 I HN 0.718 nan 8.210 nan 0.000 0.435 224 Y N 2.877 123.173 120.300 -0.007 0.000 2.387 224 Y HA 0.796 5.346 4.550 0.000 0.000 0.336 224 Y C -1.185 174.714 175.900 -0.003 0.000 1.067 224 Y CA -1.615 56.486 58.100 0.001 0.000 1.114 224 Y CB 1.309 39.748 38.460 -0.036 0.000 1.208 224 Y HN 0.473 nan 8.280 nan 0.000 0.458 225 L N 4.745 126.029 121.223 0.101 0.000 2.709 225 L HA 0.674 5.014 4.340 0.000 0.000 0.236 225 L C 0.584 177.514 176.870 0.100 0.000 1.266 225 L CA 0.310 55.164 54.840 0.024 0.000 0.987 225 L CB -0.094 41.982 42.059 0.028 0.000 1.306 225 L HN 1.160 nan 8.230 nan 0.000 0.467 226 A N 0.640 123.565 122.820 0.174 0.000 5.949 226 A HA -0.117 4.203 4.320 0.000 0.000 0.275 226 A C 0.345 178.005 177.584 0.127 0.000 2.055 226 A CA 1.283 53.417 52.037 0.161 0.000 0.713 226 A CB -0.666 18.384 19.000 0.083 0.000 1.146 226 A HN 0.633 nan 8.150 nan 0.000 0.370 227 E N 0.250 120.496 120.200 0.077 0.000 2.445 227 E HA 0.809 5.160 4.350 0.000 0.000 0.273 227 E C -0.684 175.957 176.600 0.069 0.000 0.961 227 E CA -0.885 55.561 56.400 0.077 0.000 0.807 227 E CB 1.274 31.002 29.700 0.046 0.000 1.362 227 E HN 0.829 nan 8.360 nan 0.000 0.453 228 R N 0.126 120.687 120.500 0.101 0.000 2.744 228 R HA 0.385 4.725 4.340 0.000 0.000 0.279 228 R C -1.071 175.312 176.300 0.138 0.000 0.977 228 R CA -0.846 55.313 56.100 0.097 0.000 0.906 228 R CB 1.664 32.031 30.300 0.111 0.000 1.197 228 R HN 0.539 nan 8.270 nan 0.000 0.463 229 D N 1.596 122.070 120.400 0.123 0.000 2.303 229 D HA 0.222 4.862 4.640 0.000 0.000 0.236 229 D C -0.559 175.846 176.300 0.174 0.000 1.068 229 D CA -0.355 53.742 54.000 0.162 0.000 0.830 229 D CB 1.305 42.179 40.800 0.123 0.000 1.109 229 D HN 0.573 nan 8.370 nan 0.000 0.496 230 C N 3.030 122.458 119.300 0.215 0.000 2.751 230 C HA 0.227 4.687 4.460 0.000 0.000 0.248 230 C C 1.825 176.826 174.990 0.019 0.000 1.710 230 C CA -0.525 58.530 59.018 0.062 0.000 1.676 230 C CB -1.131 26.552 27.740 -0.095 0.000 3.106 230 C HN 0.523 nan 8.230 nan 0.000 0.502 231 S N 0.976 116.749 115.700 0.122 0.000 2.428 231 S HA 0.050 4.520 4.470 0.000 0.000 0.230 231 S C 1.113 175.758 174.600 0.074 0.000 1.014 231 S CA 0.909 59.178 58.200 0.115 0.000 0.957 231 S CB -0.116 63.169 63.200 0.142 0.000 0.784 231 S HN 0.599 nan 8.310 nan 0.000 0.499 232 M N 2.990 122.637 119.600 0.079 0.000 2.429 232 M HA 0.250 4.730 4.480 0.000 0.000 0.334 232 M C -0.230 176.063 176.300 -0.012 0.000 1.560 232 M CA 0.914 56.245 55.300 0.051 0.000 1.291 232 M CB -0.701 31.912 32.600 0.021 0.000 1.754 232 M HN 0.279 nan 8.290 nan 0.000 0.456 233 Q N 1.668 121.452 119.800 -0.026 0.000 2.421 233 Q HA 0.624 4.964 4.340 0.000 0.000 0.280 233 Q C -0.685 175.247 176.000 -0.113 0.000 1.085 233 Q CA -0.892 54.867 55.803 -0.072 0.000 0.807 233 Q CB 3.518 32.216 28.738 -0.067 0.000 1.405 233 Q HN 0.519 nan 8.270 nan 0.000 0.419 234 R N 1.309 121.716 120.500 -0.155 0.000 2.502 234 R HA 0.357 4.697 4.340 0.000 0.000 0.300 234 R C -0.851 175.310 176.300 -0.233 0.000 0.984 234 R CA -0.293 55.669 56.100 -0.230 0.000 0.882 234 R CB 0.770 30.883 30.300 -0.313 0.000 1.180 234 R HN 0.749 nan 8.270 nan 0.000 0.444 235 R N 3.979 124.299 120.500 -0.299 0.000 3.416 235 R HA -0.192 4.149 4.340 0.000 0.000 0.263 235 R C -0.471 175.698 176.300 -0.217 0.000 1.053 235 R CA 1.109 57.027 56.100 -0.304 0.000 0.705 235 R CB -1.773 28.439 30.300 -0.147 0.000 1.124 235 R HN 0.951 nan 8.270 nan 0.000 0.444 236 H N -3.889 115.162 119.070 -0.032 0.000 3.179 236 H HA -0.208 4.348 4.556 0.000 0.000 0.250 236 H C 0.236 175.529 175.328 -0.059 0.000 1.142 236 H CA 1.656 57.685 56.048 -0.031 0.000 1.165 236 H CB -0.996 28.765 29.762 -0.002 0.000 1.253 236 H HN 0.533 nan 8.280 nan 0.000 0.325 237 Q N 1.675 121.463 119.800 -0.020 0.000 2.278 237 Q HA 0.369 4.709 4.340 0.000 0.000 0.257 237 Q C -0.317 175.638 176.000 -0.076 0.000 0.928 237 Q CA -0.502 55.273 55.803 -0.046 0.000 0.932 237 Q CB 0.855 29.565 28.738 -0.047 0.000 1.221 237 Q HN 0.192 nan 8.270 nan 0.000 0.434 238 K N 2.081 122.424 120.400 -0.094 0.000 2.448 238 K HA 0.071 4.391 4.320 0.000 0.000 0.278 238 K C 0.011 176.568 176.600 -0.072 0.000 1.009 238 K CA -0.089 56.137 56.287 -0.102 0.000 0.995 238 K CB 0.845 33.265 32.500 -0.133 0.000 0.917 238 K HN 0.467 nan 8.250 nan 0.000 0.481 239 V N 2.151 122.030 119.914 -0.058 0.000 3.090 239 V HA 0.049 4.169 4.120 0.000 0.000 0.237 239 V C 0.024 176.097 176.094 -0.036 0.000 1.209 239 V CA 0.154 62.430 62.300 -0.041 0.000 1.209 239 V CB 1.093 32.889 31.823 -0.044 0.000 0.971 239 V HN 0.443 nan 8.190 nan 0.000 0.477 240 V N 0.981 120.872 119.914 -0.037 0.000 2.656 240 V HA 0.612 4.732 4.120 0.000 0.000 0.307 240 V C -1.136 174.977 176.094 0.032 0.000 1.051 240 V CA -0.550 61.739 62.300 -0.019 0.000 0.893 240 V CB 2.091 33.853 31.823 -0.100 0.000 0.999 240 V HN 0.453 nan 8.190 nan 0.000 0.426 241 E N 2.442 122.676 120.200 0.057 0.000 2.343 241 E HA 0.744 5.095 4.350 0.000 0.000 0.270 241 E C -1.105 175.564 176.600 0.114 0.000 0.895 241 E CA -0.835 55.611 56.400 0.076 0.000 0.767 241 E CB 2.576 32.296 29.700 0.033 0.000 1.248 241 E HN 0.868 nan 8.360 nan 0.000 0.440 242 E N 0.127 120.396 120.200 0.115 0.000 2.413 242 E HA 0.852 5.202 4.350 0.000 0.000 0.277 242 E C -1.561 175.021 176.600 -0.031 0.000 0.958 242 E CA -1.484 54.966 56.400 0.083 0.000 0.779 242 E CB 1.882 31.718 29.700 0.225 0.000 1.278 242 E HN 0.436 nan 8.360 nan 0.000 0.456 243 A N 1.860 124.551 122.820 -0.215 0.000 2.486 243 A HA 0.707 5.028 4.320 0.000 0.000 0.300 243 A C -2.756 174.474 177.584 -0.590 0.000 1.048 243 A CA -1.592 50.295 52.037 -0.250 0.000 0.696 243 A CB 1.607 20.552 19.000 -0.092 0.000 1.278 243 A HN 0.532 nan 8.150 nan 0.000 0.405 244 P HA 0.404 nan 4.420 nan 0.000 0.277 244 P C -0.078 177.185 177.300 -0.063 0.000 1.276 244 P CA -0.108 62.919 63.100 -0.122 0.000 0.788 244 P CB 0.725 32.408 31.700 -0.029 0.000 1.114 245 A N 0.771 123.588 122.820 -0.005 0.000 2.409 245 A HA 0.441 4.761 4.320 0.000 0.000 0.267 245 A C -2.139 175.453 177.584 0.014 0.000 1.127 245 A CA -1.434 50.611 52.037 0.014 0.000 0.795 245 A CB -1.358 17.626 19.000 -0.027 0.000 1.061 245 A HN 0.355 nan 8.150 nan 0.000 0.502 246 P HA 0.234 nan 4.420 nan 0.000 0.265 246 P C 1.104 178.378 177.300 -0.043 0.000 1.193 246 P CA 1.850 64.939 63.100 -0.018 0.000 0.765 246 P CB 0.676 32.330 31.700 -0.077 0.000 0.823 247 G N 2.569 111.343 108.800 -0.044 0.000 2.179 247 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 247 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 247 G C 0.144 175.026 174.900 -0.030 0.000 0.977 247 G CA -0.470 44.614 45.100 -0.026 0.000 0.641 247 G HN 0.471 nan 8.290 nan 0.000 0.533 248 I N 3.038 123.571 120.570 -0.063 0.000 2.352 248 I HA 0.300 4.470 4.170 0.000 0.000 0.290 248 I C 1.379 177.487 176.117 -0.015 0.000 1.036 248 I CA 0.148 61.404 61.300 -0.072 0.000 1.336 248 I CB 0.217 38.153 38.000 -0.107 0.000 1.407 248 I HN 0.314 nan 8.210 nan 0.000 0.497 249 T N 4.453 119.010 114.554 0.004 0.000 2.882 249 T HA 0.288 4.638 4.350 0.000 0.000 0.287 249 T C -1.732 172.984 174.700 0.026 0.000 1.014 249 T CA -1.563 60.547 62.100 0.016 0.000 1.049 249 T CB 1.098 69.977 68.868 0.019 0.000 1.001 249 T HN 0.297 nan 8.240 nan 0.000 0.525 250 P HA -0.173 nan 4.420 nan 0.000 0.216 250 P C 1.616 178.945 177.300 0.049 0.000 1.150 250 P CA 1.098 64.226 63.100 0.048 0.000 0.843 250 P CB 0.061 31.789 31.700 0.048 0.000 0.787 251 E N -0.282 119.942 120.200 0.040 0.000 2.072 251 E HA -0.125 4.226 4.350 0.000 0.000 0.191 251 E C 2.225 178.857 176.600 0.053 0.000 0.985 251 E CA 0.921 57.348 56.400 0.044 0.000 0.801 251 E CB -1.393 28.326 29.700 0.031 0.000 0.750 251 E HN 0.297 nan 8.360 nan 0.000 0.452 252 L N 0.656 121.907 121.223 0.047 0.000 2.017 252 L HA -0.124 4.217 4.340 0.000 0.000 0.208 252 L C 3.067 179.955 176.870 0.031 0.000 1.073 252 L CA 1.365 56.252 54.840 0.078 0.000 0.745 252 L CB -0.273 41.854 42.059 0.114 0.000 0.894 252 L HN 0.126 nan 8.230 nan 0.000 0.432 253 R N 0.049 120.547 120.500 -0.003 0.000 2.091 253 R HA -0.243 4.097 4.340 0.000 0.000 0.238 253 R C 2.430 178.637 176.300 -0.154 0.000 1.136 253 R CA 1.804 57.865 56.100 -0.064 0.000 0.959 253 R CB -0.197 30.123 30.300 0.033 0.000 0.856 253 R HN 0.208 nan 8.270 nan 0.000 0.437 254 R N -0.833 119.640 120.500 -0.046 0.000 2.066 254 R HA -0.205 4.135 4.340 0.000 0.000 0.232 254 R C 2.209 178.391 176.300 -0.198 0.000 1.131 254 R CA 1.857 57.918 56.100 -0.065 0.000 0.955 254 R CB -0.544 29.786 30.300 0.051 0.000 0.851 254 R HN 0.332 nan 8.270 nan 0.000 0.432 255 Y N 0.646 120.815 120.300 -0.219 0.000 2.081 255 Y HA -0.283 4.267 4.550 0.000 0.000 0.280 255 Y C 2.024 177.693 175.900 -0.385 0.000 1.163 255 Y CA 2.073 60.033 58.100 -0.233 0.000 1.135 255 Y CB -0.295 38.079 38.460 -0.145 0.000 0.970 255 Y HN 0.130 nan 8.280 nan 0.000 0.498 256 I N 0.417 120.774 120.570 -0.354 0.000 2.406 256 I HA -0.023 4.148 4.170 0.000 0.000 0.249 256 I C 2.457 178.118 176.117 -0.760 0.000 1.122 256 I CA 1.639 62.518 61.300 -0.702 0.000 1.431 256 I CB -1.024 36.197 38.000 -1.298 0.000 1.087 256 I HN 0.320 nan 8.210 nan 0.000 0.424 257 G N -0.310 107.946 108.800 -0.906 0.000 2.421 257 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 257 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 257 G C 1.567 175.788 174.900 -1.133 0.000 1.171 257 G CA 0.846 45.065 45.100 -1.469 0.000 0.775 257 G HN 0.467 nan 8.290 nan 0.000 0.543 258 E N -0.007 119.689 120.200 -0.841 0.000 2.110 258 E HA -0.099 4.251 4.350 0.000 0.000 0.193 258 E C 2.745 179.128 176.600 -0.362 0.000 0.988 258 E CA 0.635 56.802 56.400 -0.388 0.000 0.804 258 E CB -0.074 29.465 29.700 -0.267 0.000 0.745 258 E HN 0.316 nan 8.360 nan 0.000 0.458 259 R N -0.168 120.045 120.500 -0.477 0.000 2.092 259 R HA -0.081 4.259 4.340 0.000 0.000 0.231 259 R C 2.392 178.432 176.300 -0.435 0.000 1.119 259 R CA 1.236 57.078 56.100 -0.431 0.000 0.970 259 R CB -0.253 29.756 30.300 -0.486 0.000 0.864 259 R HN 0.237 nan 8.270 nan 0.000 0.440 260 C N -0.323 118.659 119.300 -0.530 0.000 2.446 260 C HA 0.022 4.482 4.460 0.000 0.000 0.277 260 C C 2.862 177.603 174.990 -0.415 0.000 1.275 260 C CA 0.643 59.204 59.018 -0.761 0.000 1.727 260 C CB -0.853 26.451 27.740 -0.727 0.000 2.010 260 C HN 0.599 nan 8.230 nan 0.000 0.486 261 A N 0.629 123.337 122.820 -0.188 0.000 1.908 261 A HA -0.257 4.063 4.320 0.000 0.000 0.218 261 A C 2.242 179.798 177.584 -0.046 0.000 1.181 261 A CA 2.135 54.162 52.037 -0.018 0.000 0.627 261 A CB -0.630 18.424 19.000 0.091 0.000 0.818 261 A HN 0.684 nan 8.150 nan 0.000 0.445 262 K N -0.347 119.985 120.400 -0.112 0.000 2.057 262 K HA -0.109 4.212 4.320 0.000 0.000 0.207 262 K C 2.179 178.730 176.600 -0.083 0.000 1.049 262 K CA 1.249 57.479 56.287 -0.094 0.000 0.931 262 K CB -0.351 32.072 32.500 -0.128 0.000 0.714 262 K HN 0.367 nan 8.250 nan 0.000 0.440 263 A N 1.080 123.815 122.820 -0.143 0.000 1.908 263 A HA -0.200 4.120 4.320 0.000 0.000 0.218 263 A C 2.481 180.090 177.584 0.041 0.000 1.181 263 A CA 1.767 53.747 52.037 -0.095 0.000 0.627 263 A CB -1.116 17.756 19.000 -0.212 0.000 0.818 263 A HN 0.580 nan 8.150 nan 0.000 0.445 264 C N -1.237 118.123 119.300 0.100 0.000 2.398 264 C HA -0.125 4.335 4.460 0.000 0.000 0.276 264 C C 2.745 177.826 174.990 0.152 0.000 1.222 264 C CA 1.251 60.386 59.018 0.195 0.000 1.746 264 C CB -1.403 26.467 27.740 0.217 0.000 2.039 264 C HN 0.479 nan 8.230 nan 0.000 0.470 265 V N 1.151 121.115 119.914 0.083 0.000 2.287 265 V HA -0.223 3.897 4.120 0.000 0.000 0.248 265 V C 2.077 178.196 176.094 0.043 0.000 1.053 265 V CA 2.420 64.753 62.300 0.055 0.000 1.027 265 V CB -0.780 31.057 31.823 0.024 0.000 0.646 265 V HN 0.465 nan 8.190 nan 0.000 0.447 266 D N 0.302 120.717 120.400 0.025 0.000 2.144 266 D HA -0.121 4.519 4.640 0.000 0.000 0.199 266 D C 1.835 178.152 176.300 0.029 0.000 0.984 266 D CA 1.765 55.771 54.000 0.011 0.000 0.834 266 D CB -0.223 40.568 40.800 -0.015 0.000 0.955 266 D HN 0.680 nan 8.370 nan 0.000 0.465 267 I N -3.874 116.733 120.570 0.061 0.000 3.793 267 I HA 0.321 4.491 4.170 0.000 0.000 0.315 267 I C 1.017 177.189 176.117 0.092 0.000 1.275 267 I CA 0.339 61.684 61.300 0.076 0.000 1.214 267 I CB -0.078 37.981 38.000 0.099 0.000 1.018 267 I HN -0.021 nan 8.210 nan 0.000 0.439 268 G N 1.746 110.601 108.800 0.092 0.000 2.314 268 G HA2 -0.354 3.607 3.960 0.000 0.000 0.292 268 G HA3 -0.354 3.607 3.960 0.000 0.000 0.292 268 G C -0.079 174.878 174.900 0.096 0.000 1.059 268 G CA 0.226 45.370 45.100 0.073 0.000 0.982 268 G HN 0.672 nan 8.290 nan 0.000 0.505 269 Y N 0.259 120.579 120.300 0.033 0.000 2.480 269 Y HA 0.502 5.052 4.550 0.000 0.000 0.338 269 Y C 0.921 176.839 175.900 0.031 0.000 1.220 269 Y CA 0.056 58.178 58.100 0.037 0.000 1.430 269 Y CB 0.593 39.091 38.460 0.063 0.000 1.311 269 Y HN 0.411 nan 8.280 nan 0.000 0.575 270 R N 3.722 123.802 120.500 -0.701 0.000 2.574 270 R HA 0.553 4.894 4.340 0.000 0.000 0.288 270 R C -0.426 175.562 176.300 -0.521 0.000 1.004 270 R CA 0.221 56.077 56.100 -0.408 0.000 0.895 270 R CB 1.287 31.440 30.300 -0.245 0.000 1.191 270 R HN 1.023 nan 8.270 nan 0.000 0.444 271 G N 1.824 110.513 108.800 -0.184 0.000 2.548 271 G HA2 0.012 3.972 3.960 0.000 0.000 0.208 271 G HA3 0.012 3.972 3.960 0.000 0.000 0.208 271 G C -0.960 174.009 174.900 0.113 0.000 1.308 271 G CA -0.431 44.617 45.100 -0.086 0.000 0.924 271 G HN 0.849 nan 8.290 nan 0.000 0.540 272 A N -0.501 122.381 122.820 0.104 0.000 2.371 272 A HA 0.927 5.247 4.320 0.000 0.000 0.257 272 A C 0.905 178.669 177.584 0.300 0.000 1.089 272 A CA 1.231 53.370 52.037 0.170 0.000 0.794 272 A CB 0.883 19.928 19.000 0.074 0.000 1.029 272 A HN 2.591 nan 8.150 nan 0.000 0.488 273 G N -0.631 108.290 108.800 0.202 0.000 2.623 273 G HA2 0.584 4.544 3.960 0.000 0.000 0.290 273 G HA3 0.584 4.544 3.960 0.000 0.000 0.290 273 G C -1.159 173.697 174.900 -0.074 0.000 1.437 273 G CA -0.337 44.771 45.100 0.013 0.000 0.798 273 G HN 0.806 nan 8.290 nan 0.000 0.488 274 T N 0.608 115.059 114.554 -0.172 0.000 2.881 274 T HA 0.518 4.868 4.350 0.000 0.000 0.290 274 T C -1.278 173.295 174.700 -0.211 0.000 1.000 274 T CA -0.180 61.880 62.100 -0.066 0.000 0.978 274 T CB 1.027 69.914 68.868 0.031 0.000 0.997 274 T HN 0.293 nan 8.240 nan 0.000 0.443 275 F N 2.370 122.332 119.950 0.020 0.000 2.391 275 F HA 0.351 4.878 4.527 0.000 0.000 0.359 275 F C 1.077 176.801 175.800 -0.128 0.000 1.122 275 F CA -0.765 57.217 58.000 -0.031 0.000 1.120 275 F CB 0.863 39.897 39.000 0.056 0.000 1.142 275 F HN 0.423 nan 8.300 nan 0.000 0.483 276 E N 3.913 124.001 120.200 -0.186 0.000 2.197 276 E HA 0.427 4.777 4.350 0.000 0.000 0.281 276 E C -1.166 175.129 176.600 -0.507 0.000 0.995 276 E CA -0.461 55.793 56.400 -0.243 0.000 0.808 276 E CB 1.345 30.948 29.700 -0.162 0.000 1.093 276 E HN 0.344 nan 8.360 nan 0.000 0.394 277 F N 1.509 121.401 119.950 -0.097 0.000 2.579 277 F HA 0.343 4.870 4.527 0.000 0.000 0.324 277 F C -0.385 175.407 175.800 -0.013 0.000 1.058 277 F CA -1.183 56.858 58.000 0.068 0.000 0.944 277 F CB 0.891 40.113 39.000 0.371 0.000 1.245 277 F HN 0.191 nan 8.300 nan 0.000 0.477 278 L N 2.324 123.736 121.223 0.316 0.000 2.289 278 L HA 0.343 4.683 4.340 0.000 0.000 0.285 278 L C -0.882 176.210 176.870 0.370 0.000 1.049 278 L CA -0.567 54.427 54.840 0.257 0.000 0.804 278 L CB 0.595 42.754 42.059 0.167 0.000 1.195 278 L HN 0.493 nan 8.230 nan 0.000 0.428 279 F N 3.842 123.815 119.950 0.038 0.000 2.426 279 F HA 0.540 5.068 4.527 0.000 0.000 0.348 279 F C -0.068 175.685 175.800 -0.078 0.000 1.124 279 F CA -0.194 57.698 58.000 -0.179 0.000 1.008 279 F CB 0.939 39.694 39.000 -0.407 0.000 1.139 279 F HN 0.562 nan 8.300 nan 0.000 0.452 280 E N 4.992 124.864 120.200 -0.547 0.000 2.335 280 E HA 0.190 4.540 4.350 0.000 0.000 0.280 280 E C -0.881 175.461 176.600 -0.430 0.000 0.918 280 E CA -0.650 55.528 56.400 -0.370 0.000 0.765 280 E CB 1.118 30.761 29.700 -0.096 0.000 1.218 280 E HN 0.755 nan 8.360 nan 0.000 0.425 281 N N 2.427 120.900 118.700 -0.379 0.000 2.727 281 N HA -0.242 4.498 4.740 0.000 0.000 0.249 281 N C 0.541 175.822 175.510 -0.381 0.000 1.048 281 N CA 1.497 54.378 53.050 -0.283 0.000 0.714 281 N CB -1.242 37.160 38.487 -0.141 0.000 0.959 281 N HN 0.980 nan 8.380 nan 0.000 0.544 282 G N -1.024 107.363 108.800 -0.688 0.000 2.155 282 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 282 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 282 G C -0.267 174.325 174.900 -0.514 0.000 0.983 282 G CA 0.761 45.528 45.100 -0.555 0.000 0.676 282 G HN 0.536 nan 8.290 nan 0.000 0.528 283 E N -0.710 119.062 120.200 -0.712 0.000 2.222 283 E HA 0.590 4.940 4.350 0.000 0.000 0.267 283 E C -0.719 175.526 176.600 -0.591 0.000 0.884 283 E CA -0.793 55.303 56.400 -0.508 0.000 0.764 283 E CB 1.371 30.805 29.700 -0.443 0.000 1.169 283 E HN 0.125 nan 8.360 nan 0.000 0.413 284 F N 1.483 121.241 119.950 -0.320 0.000 2.385 284 F HA 0.315 4.843 4.527 0.000 0.000 0.336 284 F C -0.218 175.392 175.800 -0.317 0.000 1.100 284 F CA -0.357 57.546 58.000 -0.161 0.000 1.116 284 F CB 0.784 39.595 39.000 -0.316 0.000 1.166 284 F HN 0.331 nan 8.300 nan 0.000 0.511 285 Y N 3.189 123.828 120.300 0.566 0.000 2.322 285 Y HA 0.239 4.789 4.550 0.000 0.000 0.324 285 Y C -0.417 175.801 175.900 0.529 0.000 1.027 285 Y CA -1.265 57.115 58.100 0.466 0.000 1.179 285 Y CB 1.091 39.688 38.460 0.229 0.000 1.136 285 Y HN 0.476 nan 8.280 nan 0.000 0.449 286 F N 5.674 125.896 119.950 0.454 0.000 2.608 286 F HA 0.131 4.658 4.527 0.000 0.000 0.380 286 F C 0.875 176.675 175.800 -0.000 0.000 1.083 286 F CA 0.234 58.188 58.000 -0.077 0.000 1.266 286 F CB 0.614 39.559 39.000 -0.092 0.000 1.076 286 F HN 0.578 nan 8.300 nan 0.000 0.574 287 I N 1.094 121.145 120.570 -0.866 0.000 3.565 287 I HA 0.382 4.552 4.170 0.000 0.000 0.287 287 I C -0.445 175.075 176.117 -0.995 0.000 1.193 287 I CA 0.008 60.926 61.300 -0.636 0.000 1.402 287 I CB 0.121 37.967 38.000 -0.258 0.000 1.284 287 I HN 0.613 nan 8.210 nan 0.000 0.454 288 E N 1.123 120.501 120.200 -1.370 0.000 2.422 288 E HA 0.434 4.784 4.350 0.000 0.000 0.280 288 E C -1.418 174.866 176.600 -0.527 0.000 1.091 288 E CA -0.944 54.909 56.400 -0.912 0.000 0.849 288 E CB 1.663 31.161 29.700 -0.336 0.000 1.353 288 E HN 0.161 nan 8.360 nan 0.000 0.449 289 M N 2.098 121.636 119.600 -0.103 0.000 2.243 289 M HA 0.449 4.929 4.480 0.000 0.000 0.324 289 M C -1.638 174.573 176.300 -0.148 0.000 1.031 289 M CA -0.807 54.388 55.300 -0.174 0.000 0.949 289 M CB 1.518 33.941 32.600 -0.295 0.000 1.615 289 M HN 0.490 nan 8.290 nan 0.000 0.430 290 N N 3.104 121.717 118.700 -0.146 0.000 2.408 290 N HA 0.189 4.929 4.740 0.000 0.000 0.257 290 N C -0.375 175.115 175.510 -0.033 0.000 1.064 290 N CA -0.014 53.003 53.050 -0.055 0.000 0.952 290 N CB 1.256 39.733 38.487 -0.017 0.000 1.093 290 N HN 0.584 nan 8.380 nan 0.000 0.490 291 T N 0.526 115.114 114.554 0.056 0.000 3.629 291 T HA 0.512 4.862 4.350 0.000 0.000 0.317 291 T C 0.260 175.083 174.700 0.205 0.000 1.690 291 T CA -0.724 61.493 62.100 0.195 0.000 1.276 291 T CB -0.468 68.547 68.868 0.245 0.000 1.205 291 T HN 0.732 nan 8.240 nan 0.000 0.824 292 R N -0.669 119.931 120.500 0.167 0.000 2.829 292 R HA 0.512 4.852 4.340 0.000 0.000 0.284 292 R C -1.552 174.818 176.300 0.117 0.000 1.006 292 R CA -1.227 54.954 56.100 0.134 0.000 0.844 292 R CB 0.026 30.420 30.300 0.157 0.000 1.309 292 R HN 0.153 nan 8.270 nan 0.000 0.494 293 I N 1.237 121.875 120.570 0.112 0.000 2.813 293 I HA 0.040 4.210 4.170 0.000 0.000 0.287 293 I C 0.006 176.217 176.117 0.157 0.000 1.196 293 I CA 0.586 61.942 61.300 0.093 0.000 1.421 293 I CB 0.866 38.880 38.000 0.023 0.000 1.365 293 I HN 0.605 nan 8.210 nan 0.000 0.591 294 Q N 4.067 123.955 119.800 0.146 0.000 2.259 294 Q HA 0.281 4.621 4.340 0.000 0.000 0.246 294 Q C 0.664 176.767 176.000 0.172 0.000 0.920 294 Q CA -0.184 55.692 55.803 0.122 0.000 0.895 294 Q CB 1.614 30.422 28.738 0.116 0.000 1.220 294 Q HN 0.607 nan 8.270 nan 0.000 0.439 295 V N 2.777 122.622 119.914 -0.114 0.000 2.282 295 V HA -0.247 3.874 4.120 0.000 0.000 0.249 295 V C 1.531 177.607 176.094 -0.030 0.000 1.057 295 V CA 2.387 64.537 62.300 -0.251 0.000 1.032 295 V CB -0.676 30.832 31.823 -0.526 0.000 0.645 295 V HN 0.938 nan 8.190 nan 0.000 0.447 296 E N 1.030 121.208 120.200 -0.037 0.000 2.403 296 E HA -0.147 4.204 4.350 0.000 0.000 0.187 296 E C 1.672 178.255 176.600 -0.028 0.000 1.073 296 E CA 0.337 56.709 56.400 -0.047 0.000 0.888 296 E CB -0.841 28.844 29.700 -0.024 0.000 1.035 296 E HN 0.912 nan 8.360 nan 0.000 0.471 297 H N 0.971 120.057 119.070 0.028 0.000 2.426 297 H HA -0.018 4.538 4.556 0.000 0.000 0.298 297 H C -0.983 174.368 175.328 0.037 0.000 1.107 297 H CA 1.133 57.207 56.048 0.043 0.000 1.298 297 H CB -1.710 28.088 29.762 0.060 0.000 1.377 297 H HN 0.166 nan 8.280 nan 0.000 0.519 298 P HA -0.153 nan 4.420 nan 0.000 0.217 298 P C 2.290 179.549 177.300 -0.068 0.000 1.148 298 P CA 1.993 64.941 63.100 -0.253 0.000 0.828 298 P CB -0.264 31.269 31.700 -0.278 0.000 0.783 299 V N -3.718 116.173 119.914 -0.039 0.000 2.407 299 V HA -0.229 3.892 4.120 0.000 0.000 0.248 299 V C 1.927 178.033 176.094 0.021 0.000 1.055 299 V CA 2.543 64.847 62.300 0.007 0.000 1.049 299 V CB -2.248 29.578 31.823 0.006 0.000 0.662 299 V HN 0.065 nan 8.190 nan 0.000 0.455 300 T N 0.413 114.987 114.554 0.033 0.000 2.777 300 T HA -0.123 4.227 4.350 0.000 0.000 0.266 300 T C 1.810 176.538 174.700 0.046 0.000 1.040 300 T CA 1.922 64.051 62.100 0.049 0.000 1.141 300 T CB -0.332 68.583 68.868 0.079 0.000 0.868 300 T HN 0.699 nan 8.240 nan 0.000 0.444 301 E N 0.939 121.170 120.200 0.051 0.000 2.058 301 E HA -0.136 4.214 4.350 0.000 0.000 0.194 301 E C 2.263 178.860 176.600 -0.005 0.000 0.997 301 E CA 1.091 57.513 56.400 0.037 0.000 0.801 301 E CB -0.200 29.533 29.700 0.055 0.000 0.746 301 E HN 0.365 nan 8.360 nan 0.000 0.450 302 M N 0.407 120.001 119.600 -0.010 0.000 2.159 302 M HA -0.110 4.370 4.480 0.000 0.000 0.263 302 M C 2.570 178.832 176.300 -0.063 0.000 1.063 302 M CA 1.305 56.563 55.300 -0.070 0.000 1.110 302 M CB -0.934 31.689 32.600 0.038 0.000 1.374 302 M HN 0.237 nan 8.290 nan 0.000 0.411 303 I N -2.464 118.142 120.570 0.061 0.000 3.728 303 I HA 0.037 4.207 4.170 0.000 0.000 0.307 303 I C 1.661 177.818 176.117 0.068 0.000 1.276 303 I CA 1.044 62.417 61.300 0.121 0.000 1.285 303 I CB -0.430 37.632 38.000 0.103 0.000 1.038 303 I HN 0.225 nan 8.210 nan 0.000 0.445 304 T N -3.795 110.776 114.554 0.028 0.000 2.955 304 T HA 0.425 4.775 4.350 0.000 0.000 0.251 304 T C 1.658 176.362 174.700 0.007 0.000 1.002 304 T CA 0.494 62.607 62.100 0.021 0.000 0.970 304 T CB 0.450 69.322 68.868 0.008 0.000 1.091 304 T HN 0.554 nan 8.240 nan 0.000 0.495 305 G N 1.292 110.084 108.800 -0.014 0.000 2.184 305 G HA2 -0.244 3.716 3.960 0.000 0.000 0.264 305 G HA3 -0.244 3.716 3.960 0.000 0.000 0.264 305 G C 0.095 174.993 174.900 -0.004 0.000 0.975 305 G CA 0.142 45.229 45.100 -0.020 0.000 0.642 305 G HN 0.775 nan 8.290 nan 0.000 0.536 306 V N 1.769 121.686 119.914 0.005 0.000 2.432 306 V HA 0.356 4.476 4.120 0.000 0.000 0.271 306 V C 0.353 176.466 176.094 0.031 0.000 1.046 306 V CA -0.562 61.745 62.300 0.012 0.000 0.945 306 V CB 1.691 33.518 31.823 0.007 0.000 0.992 306 V HN 0.348 nan 8.190 nan 0.000 0.471 307 D N 4.605 125.022 120.400 0.029 0.000 2.352 307 D HA 0.167 4.807 4.640 0.000 0.000 0.245 307 D C 0.878 177.203 176.300 0.042 0.000 1.224 307 D CA 0.011 54.038 54.000 0.044 0.000 0.879 307 D CB 1.272 42.090 40.800 0.031 0.000 1.057 307 D HN 0.454 nan 8.370 nan 0.000 0.491 308 L N 4.171 125.431 121.223 0.063 0.000 2.156 308 L HA -0.120 4.220 4.340 0.000 0.000 0.208 308 L C 2.132 178.991 176.870 -0.017 0.000 1.095 308 L CA 0.344 55.201 54.840 0.027 0.000 0.770 308 L CB -0.084 42.000 42.059 0.042 0.000 0.914 308 L HN 0.515 nan 8.230 nan 0.000 0.439 309 I N 0.030 120.581 120.570 -0.032 0.000 2.202 309 I HA -0.227 3.943 4.170 0.000 0.000 0.242 309 I C 2.411 178.534 176.117 0.011 0.000 1.091 309 I CA 1.442 62.729 61.300 -0.023 0.000 1.368 309 I CB -0.988 36.983 38.000 -0.048 0.000 1.058 309 I HN 0.271 nan 8.210 nan 0.000 0.410 310 K N 0.584 120.991 120.400 0.010 0.000 2.103 310 K HA -0.190 4.130 4.320 0.000 0.000 0.207 310 K C 1.974 178.577 176.600 0.005 0.000 1.048 310 K CA 1.094 57.387 56.287 0.010 0.000 0.930 310 K CB -0.046 32.460 32.500 0.011 0.000 0.716 310 K HN 0.281 nan 8.250 nan 0.000 0.444 311 E N 1.154 121.357 120.200 0.005 0.000 2.077 311 E HA -0.194 4.156 4.350 0.000 0.000 0.193 311 E C 2.073 178.667 176.600 -0.009 0.000 0.989 311 E CA 1.176 57.576 56.400 0.001 0.000 0.800 311 E CB -0.141 29.564 29.700 0.008 0.000 0.746 311 E HN 0.382 nan 8.360 nan 0.000 0.452 312 Q N 0.188 119.980 119.800 -0.014 0.000 2.077 312 Q HA -0.150 4.191 4.340 0.000 0.000 0.206 312 Q C 2.485 178.451 176.000 -0.057 0.000 0.989 312 Q CA 1.222 56.997 55.803 -0.047 0.000 0.853 312 Q CB -0.210 28.499 28.738 -0.048 0.000 0.907 312 Q HN 0.279 nan 8.270 nan 0.000 0.418 313 L N -0.120 121.091 121.223 -0.020 0.000 2.056 313 L HA -0.172 4.168 4.340 0.000 0.000 0.207 313 L C 2.540 179.398 176.870 -0.020 0.000 1.078 313 L CA 1.083 55.914 54.840 -0.015 0.000 0.749 313 L CB -0.382 41.684 42.059 0.013 0.000 0.901 313 L HN 0.153 nan 8.230 nan 0.000 0.433 314 R N 0.259 120.750 120.500 -0.014 0.000 2.073 314 R HA -0.144 4.196 4.340 0.000 0.000 0.234 314 R C 2.317 178.605 176.300 -0.020 0.000 1.134 314 R CA 1.514 57.606 56.100 -0.013 0.000 0.952 314 R CB -0.512 29.783 30.300 -0.008 0.000 0.850 314 R HN 0.294 nan 8.270 nan 0.000 0.433 315 I N 0.721 121.275 120.570 -0.027 0.000 2.151 315 I HA -0.315 3.855 4.170 0.000 0.000 0.243 315 I C 2.612 178.703 176.117 -0.043 0.000 1.080 315 I CA 1.519 62.799 61.300 -0.034 0.000 1.339 315 I CB -0.444 37.532 38.000 -0.040 0.000 1.039 315 I HN 0.229 nan 8.210 nan 0.000 0.409 316 A N 0.480 123.266 122.820 -0.057 0.000 1.972 316 A HA -0.068 4.252 4.320 0.000 0.000 0.219 316 A C 2.410 179.973 177.584 -0.035 0.000 1.169 316 A CA 1.610 53.611 52.037 -0.060 0.000 0.635 316 A CB -0.671 18.276 19.000 -0.088 0.000 0.810 316 A HN 0.451 nan 8.150 nan 0.000 0.446 317 A N -1.871 120.934 122.820 -0.026 0.000 2.206 317 A HA 0.384 4.704 4.320 0.000 0.000 0.211 317 A C 1.803 179.378 177.584 -0.015 0.000 1.158 317 A CA 1.327 53.354 52.037 -0.016 0.000 0.761 317 A CB -0.815 18.179 19.000 -0.010 0.000 0.801 317 A HN 1.868 nan 8.150 nan 0.000 0.473 318 G N -1.547 107.242 108.800 -0.019 0.000 2.144 318 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 318 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 318 G C -0.015 174.877 174.900 -0.014 0.000 0.988 318 G CA 0.150 45.240 45.100 -0.017 0.000 0.659 318 G HN 0.582 nan 8.290 nan 0.000 0.522 319 Q N 0.967 120.759 119.800 -0.013 0.000 2.299 319 Q HA 0.408 4.748 4.340 0.000 0.000 0.246 319 Q C -2.007 173.987 176.000 -0.010 0.000 0.935 319 Q CA -1.559 54.238 55.803 -0.010 0.000 0.887 319 Q CB 1.644 30.377 28.738 -0.009 0.000 1.223 319 Q HN 0.304 nan 8.270 nan 0.000 0.439 320 P HA 0.045 nan 4.420 nan 0.000 0.274 320 P C -0.350 176.946 177.300 -0.006 0.000 1.256 320 P CA -0.248 62.848 63.100 -0.007 0.000 0.795 320 P CB 0.654 32.350 31.700 -0.006 0.000 1.038 321 L N 0.928 122.148 121.223 -0.005 0.000 2.525 321 L HA -0.044 4.297 4.340 0.000 0.000 0.278 321 L C 1.964 178.828 176.870 -0.010 0.000 1.218 321 L CA 0.247 55.084 54.840 -0.005 0.000 0.878 321 L CB -0.039 42.017 42.059 -0.004 0.000 1.127 321 L HN 0.502 nan 8.230 nan 0.000 0.492 322 S N 3.198 118.892 115.700 -0.010 0.000 2.515 322 S HA 0.089 4.559 4.470 0.000 0.000 0.231 322 S C 0.400 174.989 174.600 -0.017 0.000 0.987 322 S CA 0.147 58.341 58.200 -0.011 0.000 0.936 322 S CB 0.043 63.239 63.200 -0.007 0.000 0.766 322 S HN 0.544 nan 8.310 nan 0.000 0.528 323 I N 0.677 121.231 120.570 -0.027 0.000 2.686 323 I HA 0.435 4.605 4.170 0.000 0.000 0.295 323 I C -1.093 174.990 176.117 -0.057 0.000 1.114 323 I CA -0.966 60.308 61.300 -0.044 0.000 1.038 323 I CB 2.158 40.125 38.000 -0.054 0.000 1.238 323 I HN -0.019 nan 8.210 nan 0.000 0.420 324 K N 3.870 124.230 120.400 -0.067 0.000 2.109 324 K HA 0.241 4.562 4.320 0.000 0.000 0.243 324 K C 0.304 176.827 176.600 -0.128 0.000 1.006 324 K CA -0.526 55.715 56.287 -0.076 0.000 0.917 324 K CB 1.063 33.529 32.500 -0.057 0.000 1.081 324 K HN 0.457 nan 8.250 nan 0.000 0.468 325 Q N 1.785 121.503 119.800 -0.137 0.000 2.096 325 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 325 Q C 1.719 177.579 176.000 -0.233 0.000 0.982 325 Q CA 2.084 57.757 55.803 -0.217 0.000 0.850 325 Q CB -0.036 28.592 28.738 -0.184 0.000 0.901 325 Q HN 0.680 nan 8.270 nan 0.000 0.422 326 E N -0.355 119.752 120.200 -0.154 0.000 2.265 326 E HA -0.221 4.129 4.350 0.000 0.000 0.196 326 E C 0.959 177.418 176.600 -0.236 0.000 0.996 326 E CA 1.403 57.725 56.400 -0.129 0.000 0.832 326 E CB -0.169 29.503 29.700 -0.047 0.000 0.756 326 E HN 0.561 nan 8.360 nan 0.000 0.491 327 E N 0.762 120.803 120.200 -0.266 0.000 2.479 327 E HA 0.090 4.440 4.350 0.000 0.000 0.193 327 E C -0.257 176.009 176.600 -0.557 0.000 1.049 327 E CA -0.143 56.056 56.400 -0.335 0.000 0.870 327 E CB 0.965 30.588 29.700 -0.128 0.000 0.944 327 E HN 0.031 nan 8.360 nan 0.000 0.492 328 V N 2.093 121.689 119.914 -0.529 0.000 2.408 328 V HA 0.112 4.232 4.120 0.000 0.000 0.267 328 V C -0.531 175.259 176.094 -0.507 0.000 1.047 328 V CA -0.056 61.996 62.300 -0.414 0.000 0.937 328 V CB 0.114 31.741 31.823 -0.326 0.000 0.999 328 V HN 0.192 nan 8.190 nan 0.000 0.472 329 H N 2.097 121.144 119.070 -0.037 0.000 2.589 329 H HA 0.520 5.077 4.556 0.000 0.000 0.351 329 H C -0.612 174.718 175.328 0.004 0.000 1.074 329 H CA -0.891 55.149 56.048 -0.014 0.000 1.203 329 H CB 1.965 31.726 29.762 -0.003 0.000 1.558 329 H HN 0.433 nan 8.280 nan 0.000 0.522 330 V N 3.952 123.946 119.914 0.133 0.000 2.427 330 V HA 0.220 4.340 4.120 0.000 0.000 0.268 330 V C 0.252 176.412 176.094 0.111 0.000 1.046 330 V CA -0.042 62.317 62.300 0.098 0.000 0.970 330 V CB 0.423 32.291 31.823 0.074 0.000 1.001 330 V HN 0.680 nan 8.190 nan 0.000 0.476 331 R N 3.714 124.291 120.500 0.129 0.000 2.532 331 R HA 0.627 4.967 4.340 0.000 0.000 0.297 331 R C 0.385 176.823 176.300 0.231 0.000 0.984 331 R CA 0.539 56.729 56.100 0.150 0.000 0.884 331 R CB 1.674 32.063 30.300 0.148 0.000 1.182 331 R HN 1.002 nan 8.270 nan 0.000 0.442 332 G N 2.157 111.040 108.800 0.139 0.000 2.593 332 G HA2 -0.296 3.664 3.960 0.000 0.000 0.237 332 G HA3 -0.296 3.664 3.960 0.000 0.000 0.237 332 G C -1.243 173.667 174.900 0.017 0.000 1.312 332 G CA 0.150 45.252 45.100 0.004 0.000 0.896 332 G HN 0.828 nan 8.290 nan 0.000 0.574 333 H N -0.811 118.099 119.070 -0.266 0.000 3.038 333 H HA 0.701 5.257 4.556 0.000 0.000 0.362 333 H C -0.108 175.147 175.328 -0.121 0.000 1.167 333 H CA 0.489 56.455 56.048 -0.136 0.000 1.197 333 H CB 1.572 31.241 29.762 -0.154 0.000 1.840 333 H HN 1.491 nan 8.280 nan 0.000 0.540 334 A N 3.349 126.122 122.820 -0.078 0.000 2.435 334 A HA 0.702 5.022 4.320 0.000 0.000 0.304 334 A C -1.481 176.162 177.584 0.099 0.000 1.064 334 A CA -0.582 51.507 52.037 0.088 0.000 0.727 334 A CB 1.523 20.610 19.000 0.146 0.000 1.284 334 A HN 0.421 nan 8.150 nan 0.000 0.415 335 V N 1.320 121.327 119.914 0.156 0.000 2.656 335 V HA 0.567 4.687 4.120 0.000 0.000 0.307 335 V C -0.234 175.935 176.094 0.125 0.000 1.051 335 V CA -0.508 61.899 62.300 0.178 0.000 0.893 335 V CB 1.762 33.736 31.823 0.251 0.000 0.999 335 V HN 0.987 nan 8.190 nan 0.000 0.426 336 E N 2.819 123.079 120.200 0.099 0.000 2.187 336 E HA 0.505 4.855 4.350 0.000 0.000 0.268 336 E C -1.590 175.044 176.600 0.057 0.000 0.896 336 E CA -0.456 55.984 56.400 0.065 0.000 0.766 336 E CB 1.709 31.423 29.700 0.023 0.000 1.142 336 E HN 0.729 nan 8.360 nan 0.000 0.408 337 C N 4.728 124.067 119.300 0.065 0.000 2.281 337 C HA 0.452 4.912 4.460 0.000 0.000 0.325 337 C C 0.144 175.170 174.990 0.060 0.000 1.282 337 C CA -0.716 58.333 59.018 0.052 0.000 1.640 337 C CB 0.105 27.886 27.740 0.067 0.000 2.288 337 C HN 0.729 nan 8.230 nan 0.000 0.507 338 R N 3.091 123.609 120.500 0.031 0.000 2.442 338 R HA 0.370 4.710 4.340 0.000 0.000 0.291 338 R C -0.401 175.941 176.300 0.070 0.000 1.069 338 R CA -0.061 56.056 56.100 0.029 0.000 1.022 338 R CB 0.403 30.703 30.300 0.000 0.000 0.976 338 R HN 0.542 nan 8.270 nan 0.000 0.443 339 I N 3.300 123.927 120.570 0.094 0.000 2.321 339 I HA 0.232 4.403 4.170 0.000 0.000 0.291 339 I C -0.355 175.829 176.117 0.112 0.000 0.998 339 I CA -0.712 60.674 61.300 0.142 0.000 1.227 339 I CB 1.082 39.242 38.000 0.268 0.000 1.368 339 I HN 0.539 nan 8.210 nan 0.000 0.466 340 N N 3.775 122.538 118.700 0.105 0.000 2.284 340 N HA 0.575 5.315 4.740 0.000 0.000 0.300 340 N C -0.262 175.301 175.510 0.089 0.000 1.047 340 N CA -0.538 52.568 53.050 0.094 0.000 0.821 340 N CB 2.104 40.645 38.487 0.089 0.000 1.337 340 N HN 0.677 nan 8.380 nan 0.000 0.482 341 A N 1.997 124.867 122.820 0.083 0.000 2.805 341 A HA 0.329 4.649 4.320 0.000 0.000 0.301 341 A C -0.329 177.284 177.584 0.047 0.000 1.557 341 A CA -0.081 51.994 52.037 0.063 0.000 1.254 341 A CB -0.769 18.268 19.000 0.062 0.000 1.114 341 A HN 0.752 nan 8.150 nan 0.000 0.553 342 E N 1.412 121.634 120.200 0.036 0.000 2.390 342 E HA 0.364 4.714 4.350 0.000 0.000 0.277 342 E C -1.463 175.112 176.600 -0.042 0.000 0.939 342 E CA -1.003 55.411 56.400 0.022 0.000 0.769 342 E CB 1.225 30.974 29.700 0.083 0.000 1.251 342 E HN 0.307 nan 8.360 nan 0.000 0.450 343 D N 2.571 122.923 120.400 -0.080 0.000 2.351 343 D HA 0.062 4.702 4.640 0.000 0.000 0.251 343 D C -1.270 174.829 176.300 -0.336 0.000 1.137 343 D CA -1.964 51.946 54.000 -0.150 0.000 0.879 343 D CB 1.335 42.066 40.800 -0.116 0.000 1.181 343 D HN 0.247 nan 8.370 nan 0.000 0.448 344 P HA -0.116 nan 4.420 nan 0.000 0.219 344 P C 0.308 177.210 177.300 -0.663 0.000 1.146 344 P CA 1.258 64.075 63.100 -0.472 0.000 0.808 344 P CB 0.458 32.017 31.700 -0.234 0.000 0.779 345 N N -0.944 117.501 118.700 -0.425 0.000 2.428 345 N HA -0.049 4.691 4.740 0.000 0.000 0.181 345 N C 1.801 177.180 175.510 -0.217 0.000 1.028 345 N CA 1.280 54.161 53.050 -0.282 0.000 0.877 345 N CB -0.499 37.905 38.487 -0.138 0.000 1.064 345 N HN 0.163 nan 8.380 nan 0.000 0.434 346 T N -2.170 112.278 114.554 -0.177 0.000 3.035 346 T HA 0.056 4.406 4.350 0.000 0.000 0.259 346 T C 0.514 175.278 174.700 0.107 0.000 1.078 346 T CA 0.163 62.249 62.100 -0.023 0.000 1.132 346 T CB -0.446 68.411 68.868 -0.017 0.000 0.900 346 T HN 0.196 nan 8.240 nan 0.000 0.480 347 F N 0.192 120.137 119.950 -0.009 0.000 3.048 347 F HA -0.156 4.371 4.527 0.000 0.000 0.287 347 F C 0.388 176.184 175.800 -0.006 0.000 0.796 347 F CA -0.128 57.867 58.000 -0.007 0.000 1.111 347 F CB -2.256 36.738 39.000 -0.011 0.000 1.320 347 F HN 0.274 nan 8.300 nan 0.000 0.430 348 L N 1.017 122.296 121.223 0.093 0.000 2.418 348 L HA 0.334 4.675 4.340 0.000 0.000 0.265 348 L C -1.614 175.278 176.870 0.037 0.000 1.143 348 L CA -1.879 52.995 54.840 0.058 0.000 0.809 348 L CB 0.355 42.428 42.059 0.024 0.000 1.124 348 L HN -0.334 nan 8.230 nan 0.000 0.456 349 P HA -0.077 nan 4.420 nan 0.000 0.266 349 P C -0.588 176.710 177.300 -0.003 0.000 1.193 349 P CA 0.189 63.301 63.100 0.021 0.000 0.770 349 P CB 0.577 32.283 31.700 0.010 0.000 0.836 350 S N 2.822 118.521 115.700 -0.003 0.000 2.060 350 S HA 0.354 4.824 4.470 0.000 0.000 0.156 350 S C -2.374 172.214 174.600 -0.021 0.000 1.690 350 S CA -1.673 56.516 58.200 -0.018 0.000 1.238 350 S CB -0.364 62.825 63.200 -0.018 0.000 1.150 350 S HN 0.195 nan 8.310 nan 0.000 0.437 351 P HA 0.631 nan 4.420 nan 0.000 0.273 351 P C 0.477 177.737 177.300 -0.067 0.000 1.250 351 P CA 0.289 63.355 63.100 -0.056 0.000 0.793 351 P CB 0.855 32.496 31.700 -0.099 0.000 1.011 352 G N -0.554 108.195 108.800 -0.086 0.000 2.362 352 G HA2 0.096 4.056 3.960 0.000 0.000 0.288 352 G HA3 0.096 4.056 3.960 0.000 0.000 0.288 352 G C -1.703 173.131 174.900 -0.110 0.000 1.305 352 G CA -0.802 44.246 45.100 -0.086 0.000 0.910 352 G HN 0.642 nan 8.290 nan 0.000 0.518 353 K N 0.238 120.585 120.400 -0.088 0.000 2.227 353 K HA 0.581 4.901 4.320 0.000 0.000 0.280 353 K C 0.116 176.686 176.600 -0.050 0.000 1.041 353 K CA -0.613 55.617 56.287 -0.095 0.000 0.905 353 K CB 0.509 32.971 32.500 -0.064 0.000 1.068 353 K HN 0.361 nan 8.250 nan 0.000 0.470 354 I N 4.489 125.029 120.570 -0.050 0.000 2.452 354 I HA -0.035 4.136 4.170 0.000 0.000 0.287 354 I C 1.536 177.679 176.117 0.044 0.000 1.079 354 I CA 0.006 61.315 61.300 0.015 0.000 1.387 354 I CB 1.307 39.324 38.000 0.028 0.000 1.404 354 I HN 0.812 nan 8.210 nan 0.000 0.522 355 T N 2.851 117.441 114.554 0.059 0.000 3.040 355 T HA 0.152 4.502 4.350 0.000 0.000 0.252 355 T C 0.777 175.531 174.700 0.091 0.000 1.064 355 T CA -0.037 62.100 62.100 0.063 0.000 1.110 355 T CB 0.278 69.171 68.868 0.041 0.000 0.921 355 T HN 0.553 nan 8.240 nan 0.000 0.480 356 R N -0.376 120.192 120.500 0.114 0.000 2.604 356 R HA 0.617 4.958 4.340 0.000 0.000 0.281 356 R C -2.368 174.063 176.300 0.217 0.000 1.020 356 R CA -1.023 55.158 56.100 0.135 0.000 0.899 356 R CB 1.802 32.146 30.300 0.074 0.000 1.205 356 R HN 0.283 nan 8.270 nan 0.000 0.450 357 F N 3.070 123.065 119.950 0.074 0.000 2.561 357 F HA 0.459 4.986 4.527 0.000 0.000 0.313 357 F C -1.607 174.256 175.800 0.105 0.000 1.126 357 F CA -0.550 57.493 58.000 0.072 0.000 0.918 357 F CB 1.808 40.859 39.000 0.085 0.000 1.199 357 F HN 0.720 nan 8.300 nan 0.000 0.444 358 H N 3.921 122.351 119.070 -1.067 0.000 2.877 358 H HA 0.713 5.269 4.556 0.000 0.000 0.347 358 H C -1.340 173.225 175.328 -1.271 0.000 1.042 358 H CA -0.313 55.150 56.048 -0.975 0.000 1.276 358 H CB 1.784 31.278 29.762 -0.447 0.000 1.681 358 H HN 0.899 nan 8.280 nan 0.000 0.521 359 A N 6.107 128.030 122.820 -1.495 0.000 2.327 359 A HA 0.493 4.813 4.320 0.000 0.000 0.283 359 A C -2.310 174.816 177.584 -0.763 0.000 1.127 359 A CA -1.376 49.958 52.037 -1.172 0.000 0.810 359 A CB 0.012 18.529 19.000 -0.805 0.000 1.066 359 A HN 0.614 nan 8.150 nan 0.000 0.492 360 P HA 0.510 nan 4.420 nan 0.000 0.274 360 P C 0.184 177.396 177.300 -0.147 0.000 1.256 360 P CA 0.090 63.040 63.100 -0.251 0.000 0.795 360 P CB 1.274 32.870 31.700 -0.174 0.000 1.038 361 G N -2.452 106.320 108.800 -0.046 0.000 2.749 361 G HA2 0.684 4.644 3.960 0.000 0.000 0.300 361 G HA3 0.684 4.644 3.960 0.000 0.000 0.300 361 G C -0.665 174.270 174.900 0.057 0.000 1.352 361 G CA -0.354 44.754 45.100 0.013 0.000 0.789 361 G HN 0.825 nan 8.290 nan 0.000 0.509 362 G N -1.881 106.973 108.800 0.090 0.000 2.408 362 G HA2 0.403 4.363 3.960 0.000 0.000 0.682 362 G HA3 0.403 4.363 3.960 0.000 0.000 0.682 362 G C -0.834 174.198 174.900 0.220 0.000 1.303 362 G CA -0.354 44.827 45.100 0.134 0.000 0.966 362 G HN 1.518 nan 8.290 nan 0.000 0.560 363 F N 2.227 122.210 119.950 0.055 0.000 2.571 363 F HA 0.453 4.980 4.527 0.001 0.000 0.384 363 F C 1.642 177.504 175.800 0.104 0.000 1.058 363 F CA 0.858 58.901 58.000 0.073 0.000 1.200 363 F CB 0.454 39.494 39.000 0.067 0.000 1.077 363 F HN 2.177 nan 8.300 nan 0.000 0.558 364 G N 3.791 112.627 108.800 0.061 0.000 2.179 364 G HA2 -0.189 3.771 3.960 0.000 0.000 0.260 364 G HA3 -0.189 3.771 3.960 0.000 0.000 0.260 364 G C -0.405 174.549 174.900 0.091 0.000 0.977 364 G CA 0.105 45.200 45.100 -0.009 0.000 0.641 364 G HN 0.756 nan 8.290 nan 0.000 0.533 365 V N 0.879 120.862 119.914 0.115 0.000 2.394 365 V HA 0.711 4.832 4.120 0.000 0.000 0.282 365 V C 0.550 176.729 176.094 0.140 0.000 1.031 365 V CA -0.435 61.939 62.300 0.123 0.000 0.881 365 V CB 1.600 33.488 31.823 0.109 0.000 0.982 365 V HN 0.490 nan 8.190 nan 0.000 0.451 366 R N 4.795 125.390 120.500 0.158 0.000 2.532 366 R HA 0.354 4.694 4.340 0.000 0.000 0.297 366 R C -1.592 174.859 176.300 0.252 0.000 0.984 366 R CA -0.596 55.602 56.100 0.164 0.000 0.884 366 R CB 1.548 31.905 30.300 0.095 0.000 1.182 366 R HN 0.864 nan 8.270 nan 0.000 0.442 367 W N 6.426 127.751 121.300 0.043 0.000 2.411 367 W HA 0.354 5.014 4.660 0.000 0.000 0.317 367 W C -1.320 175.233 176.519 0.056 0.000 1.030 367 W CA -0.610 56.769 57.345 0.056 0.000 1.239 367 W CB 1.781 31.284 29.460 0.071 0.000 1.304 367 W HN 0.536 nan 8.180 nan 0.000 0.437 368 E N 4.779 124.646 120.200 -0.555 0.000 2.121 368 E HA 0.263 4.614 4.350 0.000 0.000 0.255 368 E C -1.041 175.097 176.600 -0.770 0.000 0.906 368 E CA -0.136 55.970 56.400 -0.490 0.000 0.745 368 E CB 1.764 31.307 29.700 -0.262 0.000 1.155 368 E HN 0.318 nan 8.360 nan 0.000 0.424 369 S N 1.053 116.317 115.700 -0.727 0.000 2.542 369 S HA 0.171 4.641 4.470 0.000 0.000 0.276 369 S C 0.103 174.572 174.600 -0.219 0.000 1.148 369 S CA -0.658 57.220 58.200 -0.537 0.000 0.886 369 S CB 0.427 63.105 63.200 -0.869 0.000 1.109 369 S HN 0.680 nan 8.310 nan 0.000 0.458 370 H N 2.749 121.670 119.070 -0.248 0.000 2.551 370 H HA 0.401 4.957 4.556 0.000 0.000 0.266 370 H C 0.961 176.115 175.328 -0.290 0.000 0.977 370 H CA 0.222 56.146 56.048 -0.207 0.000 1.163 370 H CB -0.453 29.176 29.762 -0.221 0.000 1.381 370 H HN 0.585 nan 8.280 nan 0.000 0.581 371 I N -0.277 119.845 120.570 -0.747 0.000 2.720 371 I HA 0.307 4.477 4.170 0.000 0.000 0.287 371 I C -0.755 174.988 176.117 -0.623 0.000 1.090 371 I CA -1.174 59.626 61.300 -0.833 0.000 1.384 371 I CB 0.563 38.150 38.000 -0.688 0.000 1.420 371 I HN 0.192 nan 8.210 nan 0.000 0.575 372 Y N 2.898 122.923 120.300 -0.457 0.000 2.638 372 Y HA 0.775 5.325 4.550 0.000 0.000 0.335 372 Y C -0.491 175.417 175.900 0.014 0.000 1.155 372 Y CA -1.609 56.360 58.100 -0.218 0.000 1.046 372 Y CB 0.527 38.954 38.460 -0.055 0.000 1.303 372 Y HN 0.823 nan 8.280 nan 0.000 0.460 373 A N 1.096 124.129 122.820 0.354 0.000 2.524 373 A HA 0.460 4.780 4.320 0.000 0.000 0.250 373 A C 1.362 179.105 177.584 0.265 0.000 1.078 373 A CA 0.891 53.096 52.037 0.281 0.000 0.761 373 A CB -1.249 17.921 19.000 0.283 0.000 1.012 373 A HN 2.238 nan 8.150 nan 0.000 0.500 374 G N 0.675 109.558 108.800 0.138 0.000 2.194 374 G HA2 -0.259 3.702 3.960 0.000 0.000 0.236 374 G HA3 -0.259 3.702 3.960 0.000 0.000 0.236 374 G C 0.133 175.048 174.900 0.024 0.000 0.987 374 G CA 0.417 45.589 45.100 0.119 0.000 0.635 374 G HN 1.574 nan 8.290 nan 0.000 0.520 375 Y N 2.710 122.804 120.300 -0.343 0.000 2.359 375 Y HA 0.566 5.116 4.550 0.000 0.000 0.330 375 Y C 0.437 176.186 175.900 -0.253 0.000 1.143 375 Y CA 0.479 58.243 58.100 -0.560 0.000 1.318 375 Y CB 1.052 38.782 38.460 -1.216 0.000 1.234 375 Y HN 0.057 nan 8.280 nan 0.000 0.522 376 T N 6.785 120.785 114.554 -0.923 0.000 2.744 376 T HA 0.293 4.644 4.350 0.000 0.000 0.291 376 T C -0.663 173.417 174.700 -1.033 0.000 0.957 376 T CA -0.584 61.094 62.100 -0.704 0.000 1.002 376 T CB 0.395 69.057 68.868 -0.343 0.000 0.919 376 T HN 0.475 nan 8.240 nan 0.000 0.468 377 V N 8.025 127.616 119.914 -0.539 0.000 2.415 377 V HA 0.172 4.292 4.120 0.000 0.000 0.267 377 V C -1.903 174.133 176.094 -0.096 0.000 1.042 377 V CA -1.612 60.573 62.300 -0.192 0.000 1.000 377 V CB -0.037 31.782 31.823 -0.007 0.000 1.015 377 V HN 0.694 nan 8.190 nan 0.000 0.478 378 P HA 0.184 nan 4.420 nan 0.000 0.272 378 P C -1.926 175.298 177.300 -0.128 0.000 1.223 378 P CA -1.478 61.644 63.100 0.037 0.000 0.784 378 P CB 0.179 32.112 31.700 0.387 0.000 0.923 379 P HA -0.044 nan 4.420 nan 0.000 0.241 379 P C 0.400 177.389 177.300 -0.518 0.000 1.191 379 P CA 1.149 63.953 63.100 -0.492 0.000 0.771 379 P CB -0.060 31.278 31.700 -0.604 0.000 0.929 380 Y N -1.569 118.509 120.300 -0.369 0.000 2.523 380 Y HA 0.110 4.660 4.550 0.000 0.000 0.279 380 Y C 0.986 176.515 175.900 -0.618 0.000 1.139 380 Y CA 0.019 57.741 58.100 -0.630 0.000 1.296 380 Y CB -0.305 37.549 38.460 -1.011 0.000 1.045 380 Y HN -0.077 nan 8.280 nan 0.000 0.538 381 Y N -1.074 119.362 120.300 0.227 0.000 2.693 381 Y HA 0.305 4.856 4.550 0.000 0.000 0.331 381 Y C -0.140 175.823 175.900 0.106 0.000 1.092 381 Y CA -2.274 55.946 58.100 0.200 0.000 1.131 381 Y CB 0.425 39.024 38.460 0.232 0.000 1.318 381 Y HN -0.302 nan 8.280 nan 0.000 0.510 382 D N 0.016 120.557 120.400 0.235 0.000 2.478 382 D HA -0.007 4.633 4.640 0.000 0.000 0.234 382 D C 0.970 177.349 176.300 0.132 0.000 1.154 382 D CA 0.737 54.808 54.000 0.119 0.000 0.874 382 D CB 0.865 41.695 40.800 0.049 0.000 1.198 382 D HN 0.567 nan 8.370 nan 0.000 0.455 383 S N 3.077 118.834 115.700 0.095 0.000 2.561 383 S HA -0.080 4.391 4.470 0.000 0.000 0.225 383 S C 1.076 175.737 174.600 0.103 0.000 0.977 383 S CA -0.216 58.041 58.200 0.095 0.000 0.926 383 S CB -0.201 63.044 63.200 0.075 0.000 0.769 383 S HN 0.592 nan 8.310 nan 0.000 0.533 384 M N 2.986 122.643 119.600 0.095 0.000 2.220 384 M HA 0.295 4.775 4.480 0.000 0.000 0.343 384 M C 0.659 177.036 176.300 0.129 0.000 1.470 384 M CA -0.174 55.178 55.300 0.088 0.000 1.161 384 M CB 0.446 33.077 32.600 0.052 0.000 1.737 384 M HN 0.491 nan 8.290 nan 0.000 0.464 385 I N 1.500 122.143 120.570 0.121 0.000 3.941 385 I HA 0.536 4.707 4.170 0.000 0.000 0.321 385 I C 0.589 176.708 176.117 0.003 0.000 1.284 385 I CA -0.145 61.233 61.300 0.130 0.000 1.226 385 I CB 0.293 38.338 38.000 0.075 0.000 1.045 385 I HN 0.627 nan 8.210 nan 0.000 0.420 386 G N 1.090 109.865 108.800 -0.041 0.000 2.559 386 G HA2 0.547 4.508 3.960 0.000 0.000 0.291 386 G HA3 0.547 4.508 3.960 0.000 0.000 0.291 386 G C -1.905 172.867 174.900 -0.213 0.000 1.424 386 G CA -0.872 44.052 45.100 -0.294 0.000 0.786 386 G HN 0.077 nan 8.290 nan 0.000 0.485 387 K N -0.187 119.995 120.400 -0.363 0.000 2.482 387 K HA 0.548 4.868 4.320 0.000 0.000 0.251 387 K C -1.633 174.927 176.600 -0.067 0.000 0.936 387 K CA -0.810 55.393 56.287 -0.140 0.000 0.791 387 K CB 2.902 35.331 32.500 -0.118 0.000 1.213 387 K HN 0.328 nan 8.250 nan 0.000 0.428 388 L N 4.261 125.583 121.223 0.165 0.000 2.287 388 L HA 0.538 4.878 4.340 0.000 0.000 0.287 388 L C -1.509 175.466 176.870 0.174 0.000 1.022 388 L CA -0.495 54.537 54.840 0.321 0.000 0.814 388 L CB 0.891 43.192 42.059 0.403 0.000 1.217 388 L HN 0.536 nan 8.230 nan 0.000 0.420 389 I N 4.879 125.543 120.570 0.156 0.000 2.436 389 I HA 0.452 4.622 4.170 0.000 0.000 0.289 389 I C -0.793 175.402 176.117 0.129 0.000 1.010 389 I CA -0.053 61.313 61.300 0.110 0.000 1.098 389 I CB 1.771 39.807 38.000 0.059 0.000 1.266 389 I HN 0.510 nan 8.210 nan 0.000 0.434 390 C N 5.237 124.613 119.300 0.126 0.000 2.408 390 C HA 0.557 5.017 4.460 0.000 0.000 0.321 390 C C -0.609 174.464 174.990 0.139 0.000 1.245 390 C CA -0.819 58.272 59.018 0.122 0.000 1.523 390 C CB 0.937 28.734 27.740 0.095 0.000 2.178 390 C HN 0.691 nan 8.230 nan 0.000 0.488 391 Y N 1.707 121.998 120.300 -0.014 0.000 2.468 391 Y HA 0.796 5.346 4.550 0.000 0.000 0.342 391 Y C 0.139 175.984 175.900 -0.091 0.000 1.021 391 Y CA 0.063 58.141 58.100 -0.036 0.000 1.079 391 Y CB 1.568 39.994 38.460 -0.058 0.000 1.226 391 Y HN 0.830 nan 8.280 nan 0.000 0.460 392 G N 3.213 111.452 108.800 -0.934 0.000 2.682 392 G HA2 0.219 4.179 3.960 0.000 0.000 0.290 392 G HA3 0.219 4.179 3.960 0.000 0.000 0.290 392 G C -0.461 173.893 174.900 -0.911 0.000 1.425 392 G CA -0.535 44.105 45.100 -0.767 0.000 0.807 392 G HN 0.644 nan 8.290 nan 0.000 0.482 393 E N -0.662 119.272 120.200 -0.444 0.000 2.333 393 E HA -0.085 4.265 4.350 0.000 0.000 0.198 393 E C 0.426 176.921 176.600 -0.175 0.000 1.007 393 E CA 1.181 57.443 56.400 -0.231 0.000 0.845 393 E CB -0.232 29.424 29.700 -0.074 0.000 0.766 393 E HN 0.518 nan 8.360 nan 0.000 0.507 394 N N -1.073 117.510 118.700 -0.196 0.000 2.853 394 N HA 0.158 4.898 4.740 0.000 0.000 0.258 394 N C 0.187 175.572 175.510 -0.209 0.000 1.444 394 N CA -0.821 52.138 53.050 -0.152 0.000 0.837 394 N CB 1.056 39.469 38.487 -0.125 0.000 1.489 394 N HN -0.176 nan 8.380 nan 0.000 0.529 395 R N -0.601 119.695 120.500 -0.340 0.000 2.091 395 R HA -0.120 4.220 4.340 0.000 0.000 0.238 395 R C 0.169 176.269 176.300 -0.333 0.000 1.136 395 R CA 1.907 57.638 56.100 -0.614 0.000 0.959 395 R CB -0.396 29.352 30.300 -0.920 0.000 0.856 395 R HN 0.629 nan 8.270 nan 0.000 0.437 396 D N -0.285 119.970 120.400 -0.242 0.000 2.144 396 D HA -0.133 4.507 4.640 0.000 0.000 0.199 396 D C 1.893 178.128 176.300 -0.109 0.000 0.984 396 D CA 1.165 55.071 54.000 -0.155 0.000 0.834 396 D CB -0.105 40.622 40.800 -0.121 0.000 0.955 396 D HN 0.101 nan 8.370 nan 0.000 0.465 397 V N 1.289 121.131 119.914 -0.120 0.000 2.358 397 V HA -0.205 3.915 4.120 0.000 0.000 0.246 397 V C 2.530 178.568 176.094 -0.094 0.000 1.047 397 V CA 1.660 63.899 62.300 -0.101 0.000 1.035 397 V CB -0.796 30.951 31.823 -0.127 0.000 0.658 397 V HN 0.173 nan 8.190 nan 0.000 0.452 398 A N 0.120 122.871 122.820 -0.116 0.000 1.883 398 A HA -0.222 4.098 4.320 0.000 0.000 0.217 398 A C 2.184 179.778 177.584 0.017 0.000 1.186 398 A CA 2.192 54.199 52.037 -0.050 0.000 0.624 398 A CB -0.597 18.407 19.000 0.008 0.000 0.822 398 A HN 0.513 nan 8.150 nan 0.000 0.444 399 I N -0.428 120.148 120.570 0.011 0.000 2.252 399 I HA -0.262 3.908 4.170 0.000 0.000 0.245 399 I C 2.982 179.132 176.117 0.057 0.000 1.102 399 I CA 0.984 62.329 61.300 0.074 0.000 1.385 399 I CB -0.371 37.667 38.000 0.064 0.000 1.064 399 I HN 0.367 nan 8.210 nan 0.000 0.414 400 A N 0.896 123.726 122.820 0.017 0.000 1.877 400 A HA -0.218 4.102 4.320 0.000 0.000 0.216 400 A C 2.402 180.002 177.584 0.026 0.000 1.186 400 A CA 1.573 53.621 52.037 0.018 0.000 0.620 400 A CB -0.595 18.406 19.000 0.001 0.000 0.822 400 A HN 0.307 nan 8.150 nan 0.000 0.443 401 R N -1.882 118.629 120.500 0.019 0.000 2.096 401 R HA -0.130 4.210 4.340 0.000 0.000 0.235 401 R C 2.197 178.524 176.300 0.046 0.000 1.127 401 R CA 1.656 57.774 56.100 0.029 0.000 0.968 401 R CB -0.356 29.954 30.300 0.016 0.000 0.861 401 R HN 0.574 nan 8.270 nan 0.000 0.440 402 M N 1.364 120.999 119.600 0.059 0.000 2.086 402 M HA -0.147 4.333 4.480 0.000 0.000 0.261 402 M C 1.626 177.962 176.300 0.059 0.000 1.067 402 M CA 1.791 57.136 55.300 0.074 0.000 1.116 402 M CB -0.025 32.634 32.600 0.099 0.000 1.348 402 M HN -0.124 nan 8.290 nan 0.000 0.407 403 K N -0.065 120.368 120.400 0.056 0.000 2.020 403 K HA -0.206 4.114 4.320 0.000 0.000 0.212 403 K C 1.752 178.370 176.600 0.030 0.000 1.050 403 K CA 2.298 58.611 56.287 0.044 0.000 0.929 403 K CB -0.589 31.937 32.500 0.044 0.000 0.714 403 K HN 0.593 nan 8.250 nan 0.000 0.443 404 N N 0.333 119.050 118.700 0.028 0.000 2.142 404 N HA -0.135 4.605 4.740 0.000 0.000 0.186 404 N C 1.882 177.398 175.510 0.011 0.000 1.023 404 N CA 0.767 53.829 53.050 0.019 0.000 0.852 404 N CB -0.131 38.370 38.487 0.023 0.000 0.998 404 N HN 0.187 nan 8.380 nan 0.000 0.424 405 A N 1.401 124.232 122.820 0.019 0.000 1.902 405 A HA -0.078 4.242 4.320 0.000 0.000 0.217 405 A C 2.155 179.728 177.584 -0.019 0.000 1.181 405 A CA 1.015 53.054 52.037 0.003 0.000 0.623 405 A CB -0.724 18.296 19.000 0.034 0.000 0.818 405 A HN 0.169 nan 8.150 nan 0.000 0.443 406 L N -0.850 120.377 121.223 0.007 0.000 2.083 406 L HA -0.256 4.084 4.340 0.000 0.000 0.209 406 L C 2.816 179.676 176.870 -0.016 0.000 1.083 406 L CA 1.535 56.377 54.840 0.004 0.000 0.752 406 L CB -0.510 41.565 42.059 0.026 0.000 0.899 406 L HN 0.483 nan 8.230 nan 0.000 0.433 407 Q N -0.463 119.330 119.800 -0.012 0.000 2.224 407 Q HA -0.197 4.143 4.340 0.000 0.000 0.203 407 Q C 1.930 177.908 176.000 -0.036 0.000 0.970 407 Q CA 1.169 56.961 55.803 -0.018 0.000 0.865 407 Q CB 0.031 28.764 28.738 -0.008 0.000 0.922 407 Q HN 0.534 nan 8.270 nan 0.000 0.445 408 E N 0.093 120.265 120.200 -0.047 0.000 2.230 408 E HA -0.037 4.313 4.350 0.000 0.000 0.192 408 E C -0.067 176.471 176.600 -0.102 0.000 0.987 408 E CA -0.230 56.136 56.400 -0.057 0.000 0.841 408 E CB 0.283 29.956 29.700 -0.044 0.000 0.783 408 E HN 0.083 nan 8.360 nan 0.000 0.481 409 L N 1.999 123.131 121.223 -0.151 0.000 2.534 409 L HA 0.108 4.448 4.340 0.000 0.000 0.271 409 L C -0.614 176.159 176.870 -0.161 0.000 1.178 409 L CA 0.784 55.475 54.840 -0.248 0.000 0.907 409 L CB 0.209 42.133 42.059 -0.225 0.000 1.164 409 L HN -0.067 nan 8.230 nan 0.000 0.482 410 I N 7.065 127.510 120.570 -0.208 0.000 2.418 410 I HA 0.369 4.540 4.170 0.000 0.000 0.287 410 I C -0.633 175.488 176.117 0.005 0.000 1.008 410 I CA -0.277 60.968 61.300 -0.093 0.000 1.104 410 I CB 1.241 39.192 38.000 -0.082 0.000 1.264 410 I HN 0.485 nan 8.210 nan 0.000 0.438 411 I N 5.365 125.992 120.570 0.096 0.000 2.542 411 I HA 0.305 4.475 4.170 0.000 0.000 0.278 411 I C -1.153 175.032 176.117 0.113 0.000 1.069 411 I CA -0.524 60.895 61.300 0.198 0.000 1.100 411 I CB 1.162 39.303 38.000 0.235 0.000 1.204 411 I HN 0.399 nan 8.210 nan 0.000 0.470 412 D N 3.748 124.209 120.400 0.102 0.000 2.217 412 D HA 0.627 5.267 4.640 0.000 0.000 0.248 412 D C 1.030 177.362 176.300 0.054 0.000 1.008 412 D CA 0.317 54.354 54.000 0.060 0.000 0.914 412 D CB 2.197 43.024 40.800 0.045 0.000 1.182 412 D HN 0.760 nan 8.370 nan 0.000 0.451 413 G N 0.265 109.083 108.800 0.030 0.000 2.259 413 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 413 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 413 G C 0.312 175.216 174.900 0.005 0.000 1.001 413 G CA 0.336 45.446 45.100 0.017 0.000 0.627 413 G HN 0.614 nan 8.290 nan 0.000 0.501 414 I N -2.529 118.050 120.570 0.014 0.000 3.042 414 I HA 0.822 4.992 4.170 0.000 0.000 0.310 414 I C -0.470 175.653 176.117 0.011 0.000 1.117 414 I CA -1.627 59.677 61.300 0.006 0.000 1.003 414 I CB 1.771 39.775 38.000 0.008 0.000 1.228 414 I HN -0.096 nan 8.210 nan 0.000 0.443 415 K N 1.782 122.181 120.400 -0.000 0.000 2.172 415 K HA 0.583 4.903 4.320 0.000 0.000 0.276 415 K C -0.368 176.238 176.600 0.009 0.000 1.013 415 K CA -0.449 55.834 56.287 -0.006 0.000 0.913 415 K CB 1.725 34.206 32.500 -0.032 0.000 1.055 415 K HN 0.864 nan 8.250 nan 0.000 0.461 416 T N -1.739 112.825 114.554 0.017 0.000 2.887 416 T HA 0.209 4.559 4.350 0.000 0.000 0.292 416 T C 0.329 175.047 174.700 0.030 0.000 1.087 416 T CA -1.028 61.097 62.100 0.042 0.000 1.009 416 T CB 1.001 69.914 68.868 0.075 0.000 1.203 416 T HN 0.588 nan 8.240 nan 0.000 0.518 417 N N 0.594 119.328 118.700 0.057 0.000 2.313 417 N HA 0.042 4.783 4.740 0.000 0.000 0.207 417 N C 1.302 176.848 175.510 0.061 0.000 1.141 417 N CA -0.179 52.909 53.050 0.063 0.000 0.830 417 N CB -0.573 37.975 38.487 0.103 0.000 1.008 417 N HN 0.386 nan 8.380 nan 0.000 0.481 418 V N 0.839 120.788 119.914 0.058 0.000 2.332 418 V HA -0.247 3.873 4.120 0.000 0.000 0.248 418 V C 1.628 177.743 176.094 0.035 0.000 1.055 418 V CA 2.064 64.397 62.300 0.055 0.000 1.038 418 V CB -0.446 31.409 31.823 0.053 0.000 0.651 418 V HN 0.256 nan 8.190 nan 0.000 0.450 419 D N -0.297 120.117 120.400 0.024 0.000 2.178 419 D HA -0.135 4.505 4.640 0.000 0.000 0.201 419 D C 1.901 178.214 176.300 0.021 0.000 0.980 419 D CA 1.016 55.025 54.000 0.016 0.000 0.842 419 D CB -0.265 40.537 40.800 0.004 0.000 0.948 419 D HN 0.381 nan 8.370 nan 0.000 0.472 420 L N 0.794 122.036 121.223 0.032 0.000 2.056 420 L HA -0.135 4.206 4.340 0.000 0.000 0.207 420 L C 1.943 178.827 176.870 0.024 0.000 1.078 420 L CA 1.620 56.488 54.840 0.045 0.000 0.749 420 L CB -0.468 41.646 42.059 0.092 0.000 0.901 420 L HN -0.117 nan 8.230 nan 0.000 0.433 421 Q N -0.137 119.676 119.800 0.021 0.000 2.124 421 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 421 Q C 2.387 178.378 176.000 -0.016 0.000 0.977 421 Q CA 2.077 57.875 55.803 -0.007 0.000 0.850 421 Q CB -0.323 28.426 28.738 0.019 0.000 0.901 421 Q HN 0.621 nan 8.270 nan 0.000 0.429 422 I N 0.346 120.921 120.570 0.008 0.000 2.226 422 I HA -0.294 3.877 4.170 0.000 0.000 0.245 422 I C 2.506 178.632 176.117 0.015 0.000 1.100 422 I CA 1.132 62.440 61.300 0.014 0.000 1.374 422 I CB -0.219 37.792 38.000 0.018 0.000 1.057 422 I HN 0.160 nan 8.210 nan 0.000 0.413 423 R N 0.638 121.147 120.500 0.014 0.000 2.081 423 R HA -0.118 4.222 4.340 0.000 0.000 0.235 423 R C 2.311 178.623 176.300 0.020 0.000 1.131 423 R CA 1.396 57.511 56.100 0.024 0.000 0.960 423 R CB -0.313 30.004 30.300 0.029 0.000 0.856 423 R HN 0.365 nan 8.270 nan 0.000 0.436 424 I N 0.353 120.905 120.570 -0.030 0.000 2.226 424 I HA -0.276 3.894 4.170 0.000 0.000 0.245 424 I C 2.237 178.264 176.117 -0.149 0.000 1.100 424 I CA 1.007 62.237 61.300 -0.116 0.000 1.374 424 I CB -0.244 37.605 38.000 -0.252 0.000 1.057 424 I HN 0.145 nan 8.210 nan 0.000 0.413 425 M N 0.324 119.869 119.600 -0.091 0.000 2.159 425 M HA -0.140 4.340 4.480 0.000 0.000 0.263 425 M C 1.647 178.043 176.300 0.161 0.000 1.063 425 M CA 1.522 56.861 55.300 0.065 0.000 1.110 425 M CB -1.397 31.243 32.600 0.068 0.000 1.374 425 M HN 0.246 nan 8.290 nan 0.000 0.411 426 N N 0.791 119.550 118.700 0.098 0.000 2.521 426 N HA -0.050 4.690 4.740 0.000 0.000 0.188 426 N C 0.192 175.775 175.510 0.122 0.000 1.146 426 N CA 0.251 53.360 53.050 0.098 0.000 0.893 426 N CB -0.148 38.378 38.487 0.065 0.000 0.975 426 N HN 0.395 nan 8.380 nan 0.000 0.451 427 D N 1.103 121.600 120.400 0.162 0.000 2.383 427 D HA -0.013 4.628 4.640 0.000 0.000 0.252 427 D C 0.394 176.808 176.300 0.189 0.000 1.166 427 D CA -0.055 54.060 54.000 0.192 0.000 0.879 427 D CB 1.188 42.138 40.800 0.249 0.000 1.164 427 D HN -0.002 nan 8.370 nan 0.000 0.462 428 E N 3.041 123.323 120.200 0.137 0.000 2.118 428 E HA -0.176 4.174 4.350 0.000 0.000 0.195 428 E C 1.402 178.045 176.600 0.072 0.000 0.992 428 E CA 1.177 57.632 56.400 0.092 0.000 0.804 428 E CB -0.024 29.719 29.700 0.070 0.000 0.741 428 E HN 0.491 nan 8.360 nan 0.000 0.458 429 N N -0.249 118.485 118.700 0.055 0.000 2.207 429 N HA -0.081 4.659 4.740 0.000 0.000 0.182 429 N C 1.689 177.165 175.510 -0.056 0.000 1.020 429 N CA 0.684 53.697 53.050 -0.061 0.000 0.858 429 N CB -0.337 37.995 38.487 -0.259 0.000 0.991 429 N HN 0.192 nan 8.380 nan 0.000 0.427 430 F N 2.395 122.261 119.950 -0.139 0.000 2.134 430 F HA -0.188 4.339 4.527 0.000 0.000 0.299 430 F C 2.463 178.241 175.800 -0.036 0.000 1.097 430 F CA 1.414 59.364 58.000 -0.083 0.000 1.264 430 F CB -0.054 38.937 39.000 -0.015 0.000 1.001 430 F HN -0.007 nan 8.300 nan 0.000 0.479 431 Q N -1.007 118.765 119.800 -0.048 0.000 2.135 431 Q HA -0.307 4.034 4.340 0.000 0.000 0.204 431 Q C 2.037 177.933 176.000 -0.172 0.000 0.981 431 Q CA 2.028 57.747 55.803 -0.141 0.000 0.856 431 Q CB -0.435 28.306 28.738 0.005 0.000 0.902 431 Q HN 0.629 nan 8.270 nan 0.000 0.425 432 H N -0.744 118.224 119.070 -0.170 0.000 2.357 432 H HA 0.059 4.616 4.556 0.000 0.000 0.301 432 H C 0.528 175.736 175.328 -0.200 0.000 1.082 432 H CA 1.426 57.382 56.048 -0.154 0.000 1.342 432 H CB -0.031 29.667 29.762 -0.105 0.000 1.389 432 H HN 0.296 nan 8.280 nan 0.000 0.511 433 G N -2.547 106.130 108.800 -0.204 0.000 2.662 433 G HA2 0.266 4.226 3.960 0.000 0.000 0.686 433 G HA3 0.266 4.226 3.960 0.000 0.000 0.686 433 G C 0.674 175.523 174.900 -0.085 0.000 1.271 433 G CA 0.085 45.031 45.100 -0.258 0.000 0.816 433 G HN 1.272 nan 8.290 nan 0.000 0.608 434 G N -1.381 107.386 108.800 -0.055 0.000 2.136 434 G HA2 0.173 4.133 3.960 0.000 0.000 0.242 434 G HA3 0.173 4.133 3.960 0.000 0.000 0.242 434 G C 1.016 175.938 174.900 0.036 0.000 0.989 434 G CA 1.414 46.526 45.100 0.020 0.000 0.682 434 G HN 2.839 nan 8.290 nan 0.000 0.522 435 T N -0.278 114.274 114.554 -0.003 0.000 2.926 435 T HA 0.467 4.817 4.350 0.000 0.000 0.307 435 T C 0.825 175.569 174.700 0.073 0.000 1.059 435 T CA 0.278 62.359 62.100 -0.031 0.000 1.122 435 T CB 1.343 70.063 68.868 -0.247 0.000 0.972 435 T HN 0.947 nan 8.240 nan 0.000 0.545 436 N N 2.078 120.845 118.700 0.111 0.000 2.405 436 N HA 0.177 4.917 4.740 0.000 0.000 0.269 436 N C 1.332 176.883 175.510 0.069 0.000 1.249 436 N CA -0.915 52.193 53.050 0.096 0.000 0.974 436 N CB -0.022 38.524 38.487 0.099 0.000 1.204 436 N HN 0.821 nan 8.380 nan 0.000 0.565 437 I N -4.007 116.516 120.570 -0.078 0.000 3.083 437 I HA -0.064 4.107 4.170 0.000 0.000 0.273 437 I C 0.505 176.488 176.117 -0.222 0.000 1.297 437 I CA 1.075 62.278 61.300 -0.161 0.000 1.452 437 I CB -0.487 37.390 38.000 -0.205 0.000 1.078 437 I HN 0.390 nan 8.210 nan 0.000 0.484 438 H N -0.957 118.183 119.070 0.115 0.000 2.622 438 H HA 0.070 4.626 4.556 0.000 0.000 0.269 438 H C 1.500 176.872 175.328 0.074 0.000 0.977 438 H CA 0.273 56.367 56.048 0.077 0.000 1.179 438 H CB -0.113 29.693 29.762 0.074 0.000 1.458 438 H HN 0.434 nan 8.280 nan 0.000 0.531 439 Y N 1.629 121.990 120.300 0.102 0.000 2.145 439 Y HA -0.209 4.342 4.550 0.000 0.000 0.286 439 Y C 2.342 178.273 175.900 0.051 0.000 1.145 439 Y CA 1.046 59.196 58.100 0.084 0.000 1.148 439 Y CB -0.256 38.257 38.460 0.088 0.000 0.981 439 Y HN 0.098 nan 8.280 nan 0.000 0.507 440 L N 0.701 121.940 121.223 0.027 0.000 2.046 440 L HA -0.165 4.175 4.340 0.000 0.000 0.208 440 L C 2.069 178.851 176.870 -0.148 0.000 1.077 440 L CA 2.011 56.807 54.840 -0.073 0.000 0.747 440 L CB -0.804 41.251 42.059 -0.006 0.000 0.896 440 L HN 0.284 nan 8.230 nan 0.000 0.432 441 E N -0.627 119.507 120.200 -0.111 0.000 2.110 441 E HA -0.264 4.086 4.350 0.000 0.000 0.193 441 E C 2.114 178.644 176.600 -0.117 0.000 0.988 441 E CA 1.244 57.576 56.400 -0.115 0.000 0.804 441 E CB -0.147 29.502 29.700 -0.085 0.000 0.745 441 E HN 0.448 nan 8.360 nan 0.000 0.458 442 K N 1.597 121.915 120.400 -0.138 0.000 2.057 442 K HA -0.213 4.107 4.320 0.000 0.000 0.207 442 K C 2.140 178.601 176.600 -0.232 0.000 1.049 442 K CA 1.318 57.509 56.287 -0.161 0.000 0.931 442 K CB 0.003 32.417 32.500 -0.143 0.000 0.714 442 K HN -0.097 nan 8.250 nan 0.000 0.440 443 K N 0.154 120.319 120.400 -0.391 0.000 2.057 443 K HA -0.121 4.199 4.320 0.000 0.000 0.207 443 K C 0.661 177.175 176.600 -0.143 0.000 1.049 443 K CA 0.646 56.736 56.287 -0.328 0.000 0.931 443 K CB -0.020 32.234 32.500 -0.410 0.000 0.714 443 K HN -0.002 nan 8.250 nan 0.000 0.440 444 L N 0.000 121.155 121.223 -0.114 0.000 2.949 444 L HA 0.000 4.340 4.340 0.000 0.000 0.249 444 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 444 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 444 L HN 0.000 nan 8.230 nan 0.000 0.502