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 1ph5_1_A DATA FIRST_RESID 36 DATA SEQUENCE YEYVELAKAS LTSAQPQHFY AVVIDATFPY KTNQERYICS LKIVDPTLYL DATA SEQUENCE KQQKGAGDAS DYATLVLYAK RFEDLPIIHR AGDIIRVHRA TLRLYNGQRQ DATA SEQUENCE FNANVFYSSS WALFSTDKRS VTQEINNQDA VSDTTPFSFS SKHATIEKNE DATA SEQUENCE ISILQNLRKW ANQYFSSYSV ISSDMYTALN KAQAQKGDFD VVAKILQVHE DATA SEQUENCE LDEYTNELKL KDASGQVFYT LSLKLKFPHV RTGEVVRIRS ATYDETSTQK DATA SEQUENCE KVLILSHYSN IITFIQSSKL AKELRAKIQD DHSVEVASLK KNVSLNAVVL DATA SEQUENCE TEVDKKHAAL PSTSLQDLFH HADSDKELQA QDTFRTQFYV TKIEPSDVKE DATA SEQUENCE WVKGYDRKTK KSSSLKGASG KGDNIFQVQF LVKDASTQLN NNTYRVLLYT DATA SEQUENCE QDGLGANFFN VKADNLHKNA DARKKLEDSA ELLTKFNSYV DAVVERRNGF DATA SEQUENCE YLIKDTKLI 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 36 Y HA 0.000 nan 4.550 nan 0.000 0.201 36 Y C 0.000 175.647 175.900 -0.422 0.000 1.272 36 Y CA 0.000 57.840 58.100 -0.434 0.000 1.940 36 Y CB 0.000 38.065 38.460 -0.659 0.000 1.050 37 E N 2.369 122.490 120.200 -0.132 0.000 2.156 37 E HA 0.474 4.827 4.350 0.005 0.000 0.279 37 E C -1.722 174.811 176.600 -0.110 0.000 0.965 37 E CA -0.602 55.744 56.400 -0.090 0.000 0.789 37 E CB 0.802 30.501 29.700 -0.001 0.000 1.098 37 E HN 0.394 nan 8.360 nan 0.000 0.397 38 Y N 2.111 122.558 120.300 0.244 0.000 2.328 38 Y HA 0.452 5.004 4.550 0.003 0.000 0.337 38 Y C 0.039 176.054 175.900 0.192 0.000 1.008 38 Y CA -0.873 57.387 58.100 0.267 0.000 1.129 38 Y CB 1.451 40.092 38.460 0.301 0.000 1.185 38 Y HN 0.252 nan 8.280 nan 0.000 0.476 39 V N 3.965 124.085 119.914 0.342 0.000 2.630 39 V HA 0.368 4.491 4.120 0.005 0.000 0.305 39 V C -0.425 175.787 176.094 0.197 0.000 1.046 39 V CA -0.785 61.648 62.300 0.221 0.000 0.934 39 V CB 1.730 33.658 31.823 0.176 0.000 1.003 39 V HN 0.830 nan 8.190 nan 0.000 0.451 40 E N 3.960 124.222 120.200 0.104 0.000 2.366 40 E HA 0.215 4.568 4.350 0.005 0.000 0.266 40 E C 0.935 177.539 176.600 0.008 0.000 1.051 40 E CA -0.226 56.192 56.400 0.030 0.000 0.884 40 E CB 1.217 30.912 29.700 -0.009 0.000 1.006 40 E HN 0.621 nan 8.360 nan 0.000 0.417 41 L N 1.706 122.880 121.223 -0.081 0.000 2.021 41 L HA -0.314 4.029 4.340 0.005 0.000 0.215 41 L C 2.188 179.087 176.870 0.050 0.000 1.074 41 L CA 1.747 56.547 54.840 -0.067 0.000 0.760 41 L CB -0.563 41.411 42.059 -0.143 0.000 0.889 41 L HN 0.656 nan 8.230 nan 0.000 0.433 42 A N -0.489 122.335 122.820 0.007 0.000 2.119 42 A HA -0.115 4.208 4.320 0.005 0.000 0.217 42 A C 2.113 179.706 177.584 0.015 0.000 1.153 42 A CA 1.119 53.159 52.037 0.006 0.000 0.692 42 A CB -0.188 18.804 19.000 -0.014 0.000 0.799 42 A HN 0.412 nan 8.150 nan 0.000 0.458 43 K N -0.261 120.157 120.400 0.030 0.000 2.353 43 K HA 0.364 4.686 4.320 0.005 0.000 0.195 43 K C 0.694 177.325 176.600 0.052 0.000 1.031 43 K CA 0.310 56.616 56.287 0.032 0.000 1.079 43 K CB 0.195 32.714 32.500 0.031 0.000 0.857 43 K HN 0.364 nan 8.250 nan 0.000 0.535 44 A N 1.880 124.757 122.820 0.094 0.000 2.561 44 A HA 0.011 4.334 4.320 0.005 0.000 0.234 44 A C 0.300 177.910 177.584 0.042 0.000 1.055 44 A CA 0.177 52.291 52.037 0.128 0.000 0.756 44 A CB 0.281 19.459 19.000 0.296 0.000 0.986 44 A HN 0.163 nan 8.150 nan 0.000 0.505 45 S N 1.139 116.857 115.700 0.029 0.000 2.528 45 S HA 0.324 4.796 4.470 0.005 0.000 0.277 45 S C 0.947 175.521 174.600 -0.044 0.000 1.297 45 S CA -0.527 57.669 58.200 -0.007 0.000 1.052 45 S CB -0.053 63.146 63.200 -0.002 0.000 0.917 45 S HN 0.558 nan 8.310 nan 0.000 0.492 46 L N 3.939 125.131 121.223 -0.052 0.000 2.416 46 L HA 0.070 4.413 4.340 0.005 0.000 0.216 46 L C 2.542 179.382 176.870 -0.050 0.000 1.098 46 L CA 0.954 55.751 54.840 -0.072 0.000 0.840 46 L CB -0.301 41.718 42.059 -0.067 0.000 0.981 46 L HN 0.859 nan 8.230 nan 0.000 0.462 47 T N -4.468 110.065 114.554 -0.034 0.000 3.033 47 T HA -0.088 4.265 4.350 0.005 0.000 0.248 47 T C 2.122 176.810 174.700 -0.021 0.000 1.040 47 T CA 0.728 62.812 62.100 -0.025 0.000 1.133 47 T CB -0.186 68.671 68.868 -0.020 0.000 0.895 47 T HN 0.272 nan 8.240 nan 0.000 0.465 48 S N 2.796 118.485 115.700 -0.019 0.000 2.380 48 S HA -0.083 4.390 4.470 0.005 0.000 0.229 48 S C 2.240 176.833 174.600 -0.013 0.000 1.043 48 S CA 2.003 60.194 58.200 -0.014 0.000 1.038 48 S CB -1.314 61.879 63.200 -0.012 0.000 0.872 48 S HN 1.770 nan 8.310 nan 0.000 0.456 49 A N -1.336 121.474 122.820 -0.017 0.000 3.408 49 A HA -0.243 4.079 4.320 0.005 0.000 0.269 49 A C 0.563 178.148 177.584 0.000 0.000 1.124 49 A CA 1.631 53.661 52.037 -0.012 0.000 0.999 49 A CB -2.222 16.771 19.000 -0.011 0.000 1.067 49 A HN 0.677 nan 8.150 nan 0.000 0.815 50 Q N -0.425 119.374 119.800 -0.001 0.000 2.317 50 Q HA 0.549 4.891 4.340 0.005 0.000 0.229 50 Q C -2.452 173.551 176.000 0.006 0.000 0.984 50 Q CA -1.717 54.087 55.803 0.002 0.000 0.911 50 Q CB 0.121 28.853 28.738 -0.010 0.000 1.217 50 Q HN 0.379 nan 8.270 nan 0.000 0.501 51 P HA 0.031 nan 4.420 nan 0.000 0.267 51 P C -1.189 176.020 177.300 -0.150 0.000 1.209 51 P CA 0.295 63.401 63.100 0.010 0.000 0.763 51 P CB 0.544 32.286 31.700 0.071 0.000 0.816 52 Q N 2.113 121.845 119.800 -0.113 0.000 2.387 52 Q HA 0.435 4.777 4.340 0.005 0.000 0.273 52 Q C -0.468 175.434 176.000 -0.164 0.000 1.089 52 Q CA -0.823 54.845 55.803 -0.224 0.000 0.824 52 Q CB 2.081 30.893 28.738 0.123 0.000 1.367 52 Q HN 0.581 nan 8.270 nan 0.000 0.443 53 H N 1.137 120.366 119.070 0.266 0.000 2.679 53 H HA 0.703 5.262 4.556 0.005 0.000 0.367 53 H C -0.761 174.830 175.328 0.440 0.000 1.162 53 H CA -0.685 55.513 56.048 0.250 0.000 1.181 53 H CB 1.403 31.280 29.762 0.193 0.000 1.693 53 H HN 0.641 nan 8.280 nan 0.000 0.538 54 F N -1.045 119.173 119.950 0.448 0.000 2.773 54 F HA 0.533 5.063 4.527 0.006 0.000 0.314 54 F C -2.318 173.510 175.800 0.047 0.000 1.160 54 F CA -1.276 56.897 58.000 0.288 0.000 0.920 54 F CB 1.075 40.083 39.000 0.014 0.000 1.323 54 F HN 0.284 nan 8.300 nan 0.000 0.457 55 Y N 1.169 121.590 120.300 0.201 0.000 2.429 55 Y HA 0.858 5.410 4.550 0.004 0.000 0.342 55 Y C 0.095 176.091 175.900 0.160 0.000 1.004 55 Y CA -0.240 57.865 58.100 0.008 0.000 1.075 55 Y CB 2.010 40.355 38.460 -0.193 0.000 1.214 55 Y HN 1.083 nan 8.280 nan 0.000 0.455 56 A N 1.599 124.586 122.820 0.280 0.000 2.599 56 A HA 0.785 5.108 4.320 0.005 0.000 0.290 56 A C -2.027 175.681 177.584 0.206 0.000 1.101 56 A CA -0.727 51.431 52.037 0.202 0.000 0.674 56 A CB 0.909 20.027 19.000 0.196 0.000 1.277 56 A HN 0.387 nan 8.150 nan 0.000 0.419 57 V N 0.738 120.786 119.914 0.223 0.000 2.427 57 V HA 0.466 4.588 4.120 0.005 0.000 0.286 57 V C -0.196 176.064 176.094 0.278 0.000 1.034 57 V CA -0.557 61.929 62.300 0.309 0.000 0.893 57 V CB 1.490 33.624 31.823 0.518 0.000 0.982 57 V HN 0.643 nan 8.190 nan 0.000 0.452 58 V N 6.416 126.469 119.914 0.231 0.000 2.406 58 V HA 0.276 4.399 4.120 0.005 0.000 0.272 58 V C 0.931 177.161 176.094 0.227 0.000 1.043 58 V CA 0.067 62.471 62.300 0.174 0.000 0.915 58 V CB 1.142 33.020 31.823 0.093 0.000 0.988 58 V HN 0.891 nan 8.190 nan 0.000 0.466 59 I N 0.160 120.852 120.570 0.205 0.000 4.035 59 I HA 0.561 4.734 4.170 0.005 0.000 0.321 59 I C 0.279 176.432 176.117 0.061 0.000 1.289 59 I CA 0.311 61.745 61.300 0.224 0.000 1.236 59 I CB 0.806 38.937 38.000 0.219 0.000 1.076 59 I HN 0.607 nan 8.210 nan 0.000 0.418 60 D N 0.931 121.336 120.400 0.008 0.000 2.663 60 D HA 0.756 5.399 4.640 0.005 0.000 0.233 60 D C -1.579 174.705 176.300 -0.026 0.000 1.240 60 D CA -0.071 53.909 54.000 -0.034 0.000 0.774 60 D CB 2.445 43.199 40.800 -0.076 0.000 1.443 60 D HN 0.390 nan 8.370 nan 0.000 0.441 61 A N 0.931 123.743 122.820 -0.013 0.000 2.583 61 A HA 0.620 4.943 4.320 0.005 0.000 0.298 61 A C -0.231 177.380 177.584 0.044 0.000 1.055 61 A CA -0.299 51.735 52.037 -0.005 0.000 0.714 61 A CB 0.776 19.750 19.000 -0.043 0.000 1.277 61 A HN 0.682 nan 8.150 nan 0.000 0.406 62 T N -0.782 113.812 114.554 0.067 0.000 2.816 62 T HA 0.647 5.000 4.350 0.005 0.000 0.282 62 T C 0.028 174.854 174.700 0.211 0.000 0.993 62 T CA -0.239 61.953 62.100 0.154 0.000 0.994 62 T CB 0.439 69.402 68.868 0.157 0.000 1.025 62 T HN 0.909 nan 8.240 nan 0.000 0.529 63 F N 1.917 121.965 119.950 0.163 0.000 2.375 63 F HA 0.465 4.995 4.527 0.005 0.000 0.333 63 F C -2.222 173.726 175.800 0.247 0.000 1.104 63 F CA -2.467 55.640 58.000 0.178 0.000 1.149 63 F CB 0.824 39.967 39.000 0.239 0.000 1.190 63 F HN 0.391 nan 8.300 nan 0.000 0.533 64 P HA 0.029 nan 4.420 nan 0.000 0.262 64 P C -1.762 175.821 177.300 0.473 0.000 1.199 64 P CA 0.678 63.753 63.100 -0.041 0.000 0.763 64 P CB -0.216 31.165 31.700 -0.532 0.000 0.790 65 Y N 1.133 121.625 120.300 0.319 0.000 2.524 65 Y HA 0.644 5.197 4.550 0.004 0.000 0.344 65 Y C -0.091 176.061 175.900 0.419 0.000 1.012 65 Y CA -2.037 56.317 58.100 0.423 0.000 1.068 65 Y CB 1.331 39.908 38.460 0.196 0.000 1.249 65 Y HN 0.083 nan 8.280 nan 0.000 0.468 66 K N 0.552 121.241 120.400 0.481 0.000 2.174 66 K HA 0.377 4.700 4.320 0.005 0.000 0.275 66 K C 0.307 176.981 176.600 0.123 0.000 1.015 66 K CA 0.390 56.670 56.287 -0.012 0.000 0.933 66 K CB 1.055 33.478 32.500 -0.128 0.000 1.025 66 K HN 1.033 nan 8.250 nan 0.000 0.463 67 T N -0.614 113.897 114.554 -0.071 0.000 3.085 67 T HA 0.097 4.450 4.350 0.005 0.000 0.241 67 T C 0.307 175.006 174.700 -0.002 0.000 0.988 67 T CA 0.072 62.202 62.100 0.049 0.000 1.117 67 T CB -0.262 68.617 68.868 0.018 0.000 0.978 67 T HN 0.753 nan 8.240 nan 0.000 0.454 68 N N -0.004 118.644 118.700 -0.088 0.000 3.229 68 N HA 0.303 5.046 4.740 0.005 0.000 0.315 68 N C 0.187 175.624 175.510 -0.121 0.000 1.520 68 N CA -0.995 52.011 53.050 -0.074 0.000 0.769 68 N CB 0.560 39.016 38.487 -0.051 0.000 1.766 68 N HN -0.074 nan 8.380 nan 0.000 0.618 69 Q N -0.775 118.976 119.800 -0.082 0.000 2.561 69 Q HA -0.093 4.250 4.340 0.005 0.000 0.217 69 Q C -0.296 175.654 176.000 -0.082 0.000 0.980 69 Q CA 1.182 56.941 55.803 -0.074 0.000 0.927 69 Q CB -0.223 28.489 28.738 -0.043 0.000 0.980 69 Q HN 0.790 nan 8.270 nan 0.000 0.525 70 E N -2.560 117.568 120.200 -0.119 0.000 2.671 70 E HA 0.188 4.541 4.350 0.005 0.000 0.204 70 E C -0.126 176.404 176.600 -0.117 0.000 0.940 70 E CA -0.263 56.081 56.400 -0.094 0.000 1.328 70 E CB 0.527 30.181 29.700 -0.077 0.000 1.214 70 E HN -0.138 nan 8.360 nan 0.000 0.624 71 R N 0.413 120.790 120.500 -0.205 0.000 2.740 71 R HA 0.584 4.927 4.340 0.005 0.000 0.282 71 R C -1.900 174.211 176.300 -0.314 0.000 0.969 71 R CA -0.457 55.557 56.100 -0.144 0.000 0.918 71 R CB 1.175 31.441 30.300 -0.057 0.000 1.175 71 R HN 0.021 nan 8.270 nan 0.000 0.464 72 Y N 2.097 122.392 120.300 -0.010 0.000 2.499 72 Y HA 0.629 5.181 4.550 0.004 0.000 0.347 72 Y C -0.091 175.664 175.900 -0.242 0.000 0.987 72 Y CA -0.763 57.281 58.100 -0.092 0.000 1.044 72 Y CB 1.809 40.273 38.460 0.007 0.000 1.245 72 Y HN 0.282 nan 8.280 nan 0.000 0.461 73 I N 1.651 121.982 120.570 -0.399 0.000 2.828 73 I HA 0.495 4.667 4.170 0.005 0.000 0.302 73 I C -1.305 174.538 176.117 -0.455 0.000 1.101 73 I CA -0.846 60.109 61.300 -0.574 0.000 1.031 73 I CB 2.304 39.818 38.000 -0.811 0.000 1.231 73 I HN 0.581 nan 8.210 nan 0.000 0.427 74 C N 3.787 122.896 119.300 -0.319 0.000 2.571 74 C HA 0.570 5.033 4.460 0.005 0.000 0.343 74 C C -0.131 174.772 174.990 -0.146 0.000 1.082 74 C CA -0.338 58.571 59.018 -0.183 0.000 1.339 74 C CB 0.462 28.028 27.740 -0.290 0.000 1.893 74 C HN 0.804 nan 8.230 nan 0.000 0.445 75 S N 6.717 122.402 115.700 -0.024 0.000 2.442 75 S HA 0.865 5.338 4.470 0.005 0.000 0.297 75 S C -0.608 173.987 174.600 -0.009 0.000 1.131 75 S CA -0.485 57.704 58.200 -0.019 0.000 1.092 75 S CB 0.370 63.586 63.200 0.025 0.000 0.998 75 S HN 0.855 nan 8.310 nan 0.000 0.478 76 L N 1.736 122.955 121.223 -0.007 0.000 2.359 76 L HA 0.729 5.072 4.340 0.005 0.000 0.256 76 L C -0.960 175.926 176.870 0.028 0.000 1.026 76 L CA -1.334 53.503 54.840 -0.005 0.000 0.828 76 L CB 1.767 43.805 42.059 -0.036 0.000 1.406 76 L HN 0.407 nan 8.230 nan 0.000 0.413 77 K N 2.449 122.842 120.400 -0.012 0.000 2.206 77 K HA 0.732 5.055 4.320 0.005 0.000 0.264 77 K C -0.925 175.711 176.600 0.060 0.000 0.967 77 K CA -0.492 55.777 56.287 -0.029 0.000 0.844 77 K CB 2.342 34.625 32.500 -0.363 0.000 1.099 77 K HN 0.660 nan 8.250 nan 0.000 0.441 78 I N -0.538 120.117 120.570 0.143 0.000 2.785 78 I HA 0.720 4.893 4.170 0.005 0.000 0.302 78 I C -0.493 175.727 176.117 0.171 0.000 1.069 78 I CA -1.227 60.160 61.300 0.146 0.000 1.045 78 I CB 1.962 40.017 38.000 0.092 0.000 1.236 78 I HN 0.390 nan 8.210 nan 0.000 0.429 79 V N 0.791 120.806 119.914 0.169 0.000 3.159 79 V HA 0.875 4.998 4.120 0.005 0.000 0.308 79 V C -1.732 174.342 176.094 -0.033 0.000 1.190 79 V CA -0.290 62.090 62.300 0.134 0.000 1.037 79 V CB 2.056 34.038 31.823 0.264 0.000 1.060 79 V HN 1.131 nan 8.190 nan 0.000 0.437 80 D N 0.007 120.249 120.400 -0.264 0.000 2.692 80 D HA 0.517 5.160 4.640 0.005 0.000 0.303 80 D C -2.742 172.960 176.300 -0.998 0.000 1.278 80 D CA -1.466 52.092 54.000 -0.737 0.000 0.852 80 D CB 1.005 41.569 40.800 -0.394 0.000 1.375 80 D HN 0.284 nan 8.370 nan 0.000 0.453 81 P HA -0.113 nan 4.420 nan 0.000 0.221 81 P C 1.079 178.280 177.300 -0.165 0.000 1.141 81 P CA 2.666 65.217 63.100 -0.915 0.000 0.794 81 P CB 0.061 31.315 31.700 -0.744 0.000 0.764 82 T N -5.774 108.712 114.554 -0.114 0.000 2.990 82 T HA 0.209 4.561 4.350 0.005 0.000 0.250 82 T C 0.306 175.024 174.700 0.031 0.000 1.041 82 T CA -0.036 62.071 62.100 0.011 0.000 1.010 82 T CB -0.090 68.756 68.868 -0.037 0.000 1.003 82 T HN -0.116 nan 8.240 nan 0.000 0.499 83 L N 2.012 123.266 121.223 0.052 0.000 2.518 83 L HA 0.512 4.855 4.340 0.005 0.000 0.262 83 L C -0.752 176.184 176.870 0.110 0.000 0.982 83 L CA -1.379 53.463 54.840 0.004 0.000 0.873 83 L CB 1.191 43.243 42.059 -0.012 0.000 1.198 83 L HN 0.386 nan 8.230 nan 0.000 0.427 84 Y N 3.827 124.099 120.300 -0.047 0.000 2.506 84 Y HA 0.589 5.140 4.550 0.002 0.000 0.290 84 Y C -1.023 174.885 175.900 0.013 0.000 1.003 84 Y CA -0.747 57.331 58.100 -0.038 0.000 1.082 84 Y CB 0.360 38.710 38.460 -0.184 0.000 1.399 84 Y HN 0.277 nan 8.280 nan 0.000 0.586 85 L N 2.191 123.040 121.223 -0.624 0.000 2.445 85 L HA 0.560 4.902 4.340 0.005 0.000 0.262 85 L C -0.973 175.718 176.870 -0.299 0.000 0.974 85 L CA -0.992 53.622 54.840 -0.376 0.000 0.822 85 L CB 2.264 44.042 42.059 -0.469 0.000 1.339 85 L HN 0.077 nan 8.230 nan 0.000 0.409 86 K N 2.399 122.711 120.400 -0.147 0.000 2.168 86 K HA 0.252 4.575 4.320 0.005 0.000 0.258 86 K C -0.439 176.102 176.600 -0.098 0.000 1.010 86 K CA -0.501 55.716 56.287 -0.116 0.000 0.929 86 K CB 0.380 32.839 32.500 -0.070 0.000 0.998 86 K HN 0.567 nan 8.250 nan 0.000 0.479 87 Q N 2.864 122.616 119.800 -0.080 0.000 2.477 87 Q HA -0.159 4.183 4.340 0.005 0.000 0.276 87 Q C -0.453 175.531 176.000 -0.028 0.000 1.317 87 Q CA 0.490 56.261 55.803 -0.054 0.000 0.963 87 Q CB -0.526 28.186 28.738 -0.043 0.000 1.451 87 Q HN 0.341 nan 8.270 nan 0.000 0.492 88 Q N 1.355 121.145 119.800 -0.017 0.000 2.263 88 Q HA 0.103 4.446 4.340 0.005 0.000 0.270 88 Q C 0.107 176.119 176.000 0.020 0.000 1.104 88 Q CA 0.144 55.956 55.803 0.015 0.000 0.909 88 Q CB 0.878 29.645 28.738 0.049 0.000 1.214 88 Q HN 0.372 nan 8.270 nan 0.000 0.400 89 K N 2.226 122.636 120.400 0.017 0.000 1.960 89 K HA 0.090 4.413 4.320 0.005 0.000 0.118 89 K C 0.715 177.321 176.600 0.010 0.000 2.331 89 K CA 0.939 57.235 56.287 0.015 0.000 1.182 89 K CB -0.388 32.117 32.500 0.009 0.000 2.595 89 K HN 0.580 nan 8.250 nan 0.000 0.428 90 G N -0.136 108.667 108.800 0.005 0.000 3.215 90 G HA2 0.375 4.338 3.960 0.005 0.000 0.236 90 G HA3 0.375 4.338 3.960 0.005 0.000 0.236 90 G C 1.158 176.059 174.900 0.001 0.000 1.029 90 G CA 0.443 45.544 45.100 0.002 0.000 0.909 90 G HN 0.314 nan 8.290 nan 0.000 0.543 91 A N 0.487 123.308 122.820 0.002 0.000 1.972 91 A HA 0.387 4.710 4.320 0.005 0.000 0.219 91 A C 2.156 179.748 177.584 0.014 0.000 1.169 91 A CA 1.811 53.849 52.037 0.002 0.000 0.635 91 A CB -0.644 18.354 19.000 -0.004 0.000 0.810 91 A HN 1.672 nan 8.150 nan 0.000 0.446 92 G N -1.280 107.534 108.800 0.022 0.000 2.182 92 G HA2 -0.199 3.764 3.960 0.005 0.000 0.248 92 G HA3 -0.199 3.764 3.960 0.005 0.000 0.248 92 G C 0.160 175.090 174.900 0.049 0.000 1.042 92 G CA 0.986 46.103 45.100 0.029 0.000 0.775 92 G HN 1.143 nan 8.290 nan 0.000 0.501 93 D N -2.383 118.058 120.400 0.068 0.000 2.945 93 D HA -0.039 4.604 4.640 0.005 0.000 0.225 93 D C 0.911 177.269 176.300 0.097 0.000 1.158 93 D CA 1.747 55.814 54.000 0.112 0.000 0.805 93 D CB -1.124 39.762 40.800 0.142 0.000 1.098 93 D HN 1.833 nan 8.370 nan 0.000 0.426 94 A N 0.158 123.016 122.820 0.064 0.000 2.409 94 A HA 0.563 4.886 4.320 0.005 0.000 0.262 94 A C 0.703 178.333 177.584 0.077 0.000 1.113 94 A CA 0.072 52.152 52.037 0.071 0.000 0.790 94 A CB 0.733 19.763 19.000 0.049 0.000 1.046 94 A HN 0.284 nan 8.150 nan 0.000 0.496 95 S N 1.710 117.493 115.700 0.137 0.000 2.564 95 S HA 0.290 4.763 4.470 0.005 0.000 0.278 95 S C -0.194 174.519 174.600 0.189 0.000 1.333 95 S CA -0.363 57.950 58.200 0.188 0.000 1.048 95 S CB 0.802 64.174 63.200 0.287 0.000 0.900 95 S HN 0.778 nan 8.310 nan 0.000 0.505 96 D N 0.589 121.051 120.400 0.103 0.000 2.228 96 D HA 0.645 5.288 4.640 0.005 0.000 0.247 96 D C -1.026 175.343 176.300 0.114 0.000 0.995 96 D CA -0.322 53.656 54.000 -0.035 0.000 0.903 96 D CB 0.882 41.598 40.800 -0.140 0.000 1.205 96 D HN 0.552 nan 8.370 nan 0.000 0.459 97 Y N -0.875 119.451 120.300 0.044 0.000 2.702 97 Y HA 0.687 5.241 4.550 0.006 0.000 0.336 97 Y C -1.520 174.422 175.900 0.069 0.000 1.203 97 Y CA -1.506 56.635 58.100 0.069 0.000 1.072 97 Y CB 0.322 38.844 38.460 0.104 0.000 1.327 97 Y HN 0.366 nan 8.280 nan 0.000 0.456 98 A N 0.972 123.964 122.820 0.286 0.000 2.281 98 A HA 0.869 5.192 4.320 0.005 0.000 0.329 98 A C -0.219 177.581 177.584 0.360 0.000 1.122 98 A CA -0.209 51.981 52.037 0.255 0.000 0.850 98 A CB 0.719 19.865 19.000 0.244 0.000 1.207 98 A HN 1.185 nan 8.150 nan 0.000 0.495 99 T N -1.229 113.522 114.554 0.328 0.000 2.918 99 T HA 0.624 4.977 4.350 0.005 0.000 0.286 99 T C -0.824 174.044 174.700 0.281 0.000 1.026 99 T CA -0.561 61.709 62.100 0.284 0.000 1.031 99 T CB 1.228 70.247 68.868 0.252 0.000 1.046 99 T HN 0.960 nan 8.240 nan 0.000 0.479 100 L N 2.487 123.833 121.223 0.204 0.000 2.376 100 L HA 0.708 5.051 4.340 0.005 0.000 0.275 100 L C -1.383 175.548 176.870 0.101 0.000 0.987 100 L CA -0.680 54.287 54.840 0.212 0.000 0.828 100 L CB 1.828 44.001 42.059 0.190 0.000 1.249 100 L HN 0.667 nan 8.230 nan 0.000 0.409 101 V N 6.615 126.594 119.914 0.109 0.000 2.326 101 V HA 0.432 4.554 4.120 0.005 0.000 0.281 101 V C -0.140 175.928 176.094 -0.043 0.000 1.015 101 V CA -0.490 61.791 62.300 -0.033 0.000 0.823 101 V CB 1.258 33.072 31.823 -0.015 0.000 1.009 101 V HN 0.591 nan 8.190 nan 0.000 0.436 102 L N 5.585 126.709 121.223 -0.165 0.000 2.275 102 L HA 0.568 4.911 4.340 0.005 0.000 0.288 102 L C -0.875 175.888 176.870 -0.179 0.000 1.046 102 L CA -0.459 54.334 54.840 -0.078 0.000 0.805 102 L CB 0.821 42.795 42.059 -0.143 0.000 1.193 102 L HN 0.489 nan 8.230 nan 0.000 0.426 103 Y N 2.011 122.369 120.300 0.097 0.000 2.387 103 Y HA 0.773 5.326 4.550 0.004 0.000 0.336 103 Y C 0.342 176.435 175.900 0.321 0.000 1.067 103 Y CA -0.561 57.656 58.100 0.195 0.000 1.114 103 Y CB 2.035 40.678 38.460 0.306 0.000 1.208 103 Y HN 0.646 nan 8.280 nan 0.000 0.458 104 A N 1.860 124.969 122.820 0.482 0.000 2.602 104 A HA 0.594 4.916 4.320 0.005 0.000 0.290 104 A C -0.306 177.508 177.584 0.385 0.000 1.114 104 A CA -0.979 51.337 52.037 0.465 0.000 0.683 104 A CB 1.517 20.672 19.000 0.259 0.000 1.281 104 A HN 0.795 nan 8.150 nan 0.000 0.416 105 K N -0.392 120.202 120.400 0.324 0.000 2.352 105 K HA 0.166 4.488 4.320 0.005 0.000 0.194 105 K C 0.050 176.871 176.600 0.368 0.000 1.038 105 K CA 0.614 57.050 56.287 0.248 0.000 1.023 105 K CB 0.358 32.940 32.500 0.136 0.000 0.840 105 K HN 0.556 nan 8.250 nan 0.000 0.519 106 R N -0.424 120.211 120.500 0.224 0.000 2.686 106 R HA 0.183 4.526 4.340 0.005 0.000 0.283 106 R C 0.043 176.068 176.300 -0.458 0.000 0.978 106 R CA -0.523 55.554 56.100 -0.038 0.000 0.897 106 R CB 0.882 31.183 30.300 0.001 0.000 1.192 106 R HN -0.099 nan 8.270 nan 0.000 0.457 107 F N 3.196 122.428 119.950 -1.197 0.000 2.126 107 F HA -0.207 4.323 4.527 0.005 0.000 0.299 107 F C 1.978 177.539 175.800 -0.399 0.000 1.096 107 F CA 1.926 59.337 58.000 -0.982 0.000 1.255 107 F CB 0.283 38.828 39.000 -0.758 0.000 0.997 107 F HN 0.583 nan 8.300 nan 0.000 0.479 108 E N -0.677 119.370 120.200 -0.256 0.000 2.515 108 E HA -0.159 4.194 4.350 0.005 0.000 0.201 108 E C 0.671 177.167 176.600 -0.173 0.000 1.071 108 E CA 0.910 57.177 56.400 -0.222 0.000 0.880 108 E CB -0.748 28.912 29.700 -0.066 0.000 0.828 108 E HN 0.499 nan 8.360 nan 0.000 0.540 109 D N 0.696 121.016 120.400 -0.133 0.000 2.328 109 D HA 0.199 4.842 4.640 0.005 0.000 0.221 109 D C 0.278 176.717 176.300 0.232 0.000 1.072 109 D CA 0.130 54.150 54.000 0.033 0.000 0.850 109 D CB 0.515 41.352 40.800 0.062 0.000 0.922 109 D HN 0.182 nan 8.370 nan 0.000 0.516 110 L N 1.458 122.653 121.223 -0.046 0.000 2.333 110 L HA 0.400 4.743 4.340 0.005 0.000 0.269 110 L C -2.305 174.213 176.870 -0.586 0.000 1.010 110 L CA -2.057 52.611 54.840 -0.286 0.000 0.818 110 L CB 2.449 44.257 42.059 -0.418 0.000 1.306 110 L HN -0.272 nan 8.230 nan 0.000 0.430 111 P HA 0.212 nan 4.420 nan 0.000 0.280 111 P C -0.884 175.976 177.300 -0.733 0.000 1.244 111 P CA -0.053 62.325 63.100 -1.203 0.000 0.784 111 P CB 1.125 31.857 31.700 -1.614 0.000 0.913 112 I N 4.529 124.762 120.570 -0.562 0.000 2.306 112 I HA 0.216 4.389 4.170 0.005 0.000 0.288 112 I C 0.467 176.319 176.117 -0.442 0.000 1.036 112 I CA -0.828 60.120 61.300 -0.587 0.000 1.221 112 I CB 0.742 38.404 38.000 -0.563 0.000 1.385 112 I HN 0.099 nan 8.210 nan 0.000 0.472 113 I N 6.557 126.930 120.570 -0.328 0.000 2.308 113 I HA 0.092 4.265 4.170 0.005 0.000 0.293 113 I C 1.063 177.112 176.117 -0.113 0.000 1.078 113 I CA 0.013 61.214 61.300 -0.166 0.000 1.292 113 I CB 0.212 38.153 38.000 -0.098 0.000 1.423 113 I HN 0.579 nan 8.210 nan 0.000 0.493 114 H N 5.308 124.352 119.070 -0.044 0.000 2.595 114 H HA 0.273 4.832 4.556 0.005 0.000 0.265 114 H C 0.641 175.934 175.328 -0.059 0.000 0.953 114 H CA 0.291 56.235 56.048 -0.174 0.000 1.197 114 H CB 0.881 30.348 29.762 -0.492 0.000 1.438 114 H HN 0.485 nan 8.280 nan 0.000 0.531 115 R N 0.376 120.910 120.500 0.058 0.000 2.621 115 R HA 0.568 4.911 4.340 0.005 0.000 0.284 115 R C -1.247 175.017 176.300 -0.060 0.000 0.998 115 R CA -0.654 55.442 56.100 -0.007 0.000 0.895 115 R CB 1.761 32.057 30.300 -0.007 0.000 1.195 115 R HN 0.070 nan 8.270 nan 0.000 0.450 116 A N 1.608 124.328 122.820 -0.165 0.000 2.363 116 A HA 0.566 4.889 4.320 0.005 0.000 0.270 116 A C 0.991 178.469 177.584 -0.177 0.000 1.121 116 A CA 0.593 52.569 52.037 -0.102 0.000 0.800 116 A CB 0.714 19.595 19.000 -0.199 0.000 1.052 116 A HN 1.107 nan 8.150 nan 0.000 0.493 117 G N 1.721 110.450 108.800 -0.117 0.000 2.316 117 G HA2 -0.157 3.806 3.960 0.005 0.000 0.203 117 G HA3 -0.157 3.806 3.960 0.005 0.000 0.203 117 G C 0.060 174.887 174.900 -0.122 0.000 0.999 117 G CA 0.152 44.929 45.100 -0.538 0.000 0.649 117 G HN 0.723 nan 8.290 nan 0.000 0.489 118 D N 0.456 120.857 120.400 0.001 0.000 2.369 118 D HA 0.485 5.128 4.640 0.005 0.000 0.241 118 D C 0.760 177.172 176.300 0.187 0.000 1.271 118 D CA 0.405 54.481 54.000 0.127 0.000 0.942 118 D CB 0.920 41.847 40.800 0.211 0.000 1.129 118 D HN 0.336 nan 8.370 nan 0.000 0.476 119 I N 0.847 121.564 120.570 0.246 0.000 2.562 119 I HA 0.409 4.581 4.170 0.005 0.000 0.301 119 I C -0.041 176.214 176.117 0.230 0.000 1.003 119 I CA -0.767 60.683 61.300 0.250 0.000 1.127 119 I CB 2.141 40.307 38.000 0.276 0.000 1.304 119 I HN 0.122 nan 8.210 nan 0.000 0.446 120 I N 5.172 125.833 120.570 0.150 0.000 2.545 120 I HA 0.474 4.646 4.170 0.005 0.000 0.292 120 I C -0.867 175.188 176.117 -0.104 0.000 1.040 120 I CA -0.664 60.666 61.300 0.050 0.000 1.068 120 I CB 1.754 39.756 38.000 0.004 0.000 1.251 120 I HN 0.608 nan 8.210 nan 0.000 0.424 121 R N 6.657 127.021 120.500 -0.228 0.000 2.437 121 R HA 0.690 5.033 4.340 0.005 0.000 0.310 121 R C -1.951 174.051 176.300 -0.496 0.000 0.955 121 R CA -0.519 55.214 56.100 -0.611 0.000 0.851 121 R CB 1.810 31.616 30.300 -0.824 0.000 1.161 121 R HN 0.508 nan 8.270 nan 0.000 0.446 122 V N 4.101 123.625 119.914 -0.651 0.000 2.555 122 V HA 0.386 4.509 4.120 0.005 0.000 0.302 122 V C -0.514 175.452 176.094 -0.213 0.000 1.038 122 V CA -0.685 61.315 62.300 -0.500 0.000 0.887 122 V CB 1.840 33.203 31.823 -0.768 0.000 0.991 122 V HN 0.833 nan 8.190 nan 0.000 0.434 123 H N 3.595 122.604 119.070 -0.103 0.000 2.495 123 H HA 0.548 5.106 4.556 0.004 0.000 0.348 123 H C -0.134 175.316 175.328 0.204 0.000 1.113 123 H CA -1.020 55.056 56.048 0.047 0.000 1.195 123 H CB 1.134 30.805 29.762 -0.152 0.000 1.521 123 H HN 0.566 nan 8.280 nan 0.000 0.509 124 R N 0.823 121.700 120.500 0.627 0.000 3.209 124 R HA -0.165 4.177 4.340 0.005 0.000 0.252 124 R C -1.143 175.302 176.300 0.242 0.000 0.958 124 R CA 0.295 56.611 56.100 0.360 0.000 0.651 124 R CB -1.276 29.162 30.300 0.230 0.000 1.142 124 R HN 0.562 nan 8.270 nan 0.000 0.441 125 A N 0.747 123.724 122.820 0.263 0.000 2.317 125 A HA 0.597 4.920 4.320 0.005 0.000 0.327 125 A C 0.508 178.271 177.584 0.298 0.000 1.178 125 A CA -0.130 52.092 52.037 0.309 0.000 0.817 125 A CB 1.209 20.481 19.000 0.452 0.000 1.189 125 A HN 0.309 nan 8.150 nan 0.000 0.489 126 T N 0.747 115.434 114.554 0.221 0.000 2.767 126 T HA 0.547 4.900 4.350 0.005 0.000 0.284 126 T C -0.393 174.337 174.700 0.050 0.000 0.973 126 T CA -0.524 61.647 62.100 0.119 0.000 0.996 126 T CB 0.690 69.597 68.868 0.064 0.000 0.927 126 T HN 0.845 nan 8.240 nan 0.000 0.456 127 L N 3.862 125.024 121.223 -0.102 0.000 2.343 127 L HA 0.832 5.175 4.340 0.005 0.000 0.275 127 L C -0.043 176.688 176.870 -0.232 0.000 1.056 127 L CA -0.394 54.207 54.840 -0.398 0.000 0.804 127 L CB 1.062 42.639 42.059 -0.804 0.000 1.203 127 L HN 1.047 nan 8.230 nan 0.000 0.440 128 R N 3.267 123.636 120.500 -0.217 0.000 2.663 128 R HA 0.529 4.872 4.340 0.005 0.000 0.267 128 R C -1.962 174.300 176.300 -0.063 0.000 1.038 128 R CA -1.041 54.998 56.100 -0.101 0.000 0.886 128 R CB 0.672 30.954 30.300 -0.031 0.000 1.249 128 R HN 0.489 nan 8.270 nan 0.000 0.463 129 L N 2.701 123.909 121.223 -0.026 0.000 2.313 129 L HA 0.305 4.648 4.340 0.005 0.000 0.282 129 L C -1.025 175.901 176.870 0.093 0.000 1.092 129 L CA 0.088 54.932 54.840 0.007 0.000 0.831 129 L CB 0.331 42.377 42.059 -0.022 0.000 1.159 129 L HN 0.589 nan 8.230 nan 0.000 0.442 130 Y N 5.121 125.406 120.300 -0.025 0.000 2.376 130 Y HA 0.330 4.882 4.550 0.004 0.000 0.326 130 Y C 0.349 176.249 175.900 0.001 0.000 0.970 130 Y CA -1.049 57.051 58.100 0.000 0.000 1.248 130 Y CB 0.430 38.905 38.460 0.026 0.000 1.117 130 Y HN 0.704 nan 8.280 nan 0.000 0.476 131 N N 4.627 123.078 118.700 -0.416 0.000 2.714 131 N HA -0.205 4.537 4.740 0.005 0.000 0.253 131 N C 0.982 176.398 175.510 -0.158 0.000 1.024 131 N CA 1.658 54.502 53.050 -0.343 0.000 0.726 131 N CB -1.086 37.102 38.487 -0.498 0.000 0.908 131 N HN 1.334 nan 8.380 nan 0.000 0.542 132 G N -1.104 107.633 108.800 -0.104 0.000 2.205 132 G HA2 -0.349 3.614 3.960 0.005 0.000 0.261 132 G HA3 -0.349 3.614 3.960 0.005 0.000 0.261 132 G C -0.048 174.816 174.900 -0.060 0.000 0.980 132 G CA 1.084 46.139 45.100 -0.074 0.000 0.632 132 G HN 0.855 nan 8.290 nan 0.000 0.533 133 Q N -0.882 118.898 119.800 -0.033 0.000 2.433 133 Q HA 0.796 5.139 4.340 0.005 0.000 0.279 133 Q C -0.217 175.789 176.000 0.009 0.000 1.105 133 Q CA -1.212 54.576 55.803 -0.025 0.000 0.815 133 Q CB 1.282 29.999 28.738 -0.035 0.000 1.403 133 Q HN 0.250 nan 8.270 nan 0.000 0.435 134 R N 1.555 122.046 120.500 -0.015 0.000 2.345 134 R HA 0.053 4.396 4.340 0.005 0.000 0.331 134 R C -0.592 175.706 176.300 -0.002 0.000 1.067 134 R CA 0.006 56.072 56.100 -0.056 0.000 0.962 134 R CB 0.386 30.649 30.300 -0.061 0.000 0.987 134 R HN 0.539 nan 8.270 nan 0.000 0.451 135 Q N 4.292 124.070 119.800 -0.037 0.000 2.372 135 Q HA 0.206 4.549 4.340 0.005 0.000 0.259 135 Q C -1.200 174.780 176.000 -0.033 0.000 0.993 135 Q CA -0.564 55.271 55.803 0.054 0.000 0.854 135 Q CB 0.645 29.441 28.738 0.097 0.000 1.231 135 Q HN 0.389 nan 8.270 nan 0.000 0.462 136 F N 2.803 122.810 119.950 0.094 0.000 2.410 136 F HA 0.369 4.897 4.527 0.002 0.000 0.348 136 F C 0.539 176.440 175.800 0.168 0.000 1.106 136 F CA -0.296 57.791 58.000 0.146 0.000 1.163 136 F CB 0.962 40.094 39.000 0.221 0.000 1.129 136 F HN 0.441 nan 8.300 nan 0.000 0.516 137 N N 2.046 120.936 118.700 0.316 0.000 2.269 137 N HA 0.754 5.497 4.740 0.005 0.000 0.304 137 N C -1.370 174.305 175.510 0.275 0.000 1.072 137 N CA -0.649 52.572 53.050 0.285 0.000 0.802 137 N CB 2.256 40.866 38.487 0.205 0.000 1.348 137 N HN 0.611 nan 8.380 nan 0.000 0.484 138 A N 1.780 124.771 122.820 0.285 0.000 2.437 138 A HA 0.425 4.747 4.320 0.005 0.000 0.293 138 A C -1.217 176.483 177.584 0.193 0.000 1.038 138 A CA -0.841 51.322 52.037 0.210 0.000 0.708 138 A CB 0.727 19.844 19.000 0.196 0.000 1.251 138 A HN 0.529 nan 8.150 nan 0.000 0.409 139 N N 2.462 121.176 118.700 0.024 0.000 2.500 139 N HA 0.252 4.995 4.740 0.005 0.000 0.236 139 N C 1.159 176.521 175.510 -0.248 0.000 1.022 139 N CA -0.287 52.610 53.050 -0.254 0.000 0.935 139 N CB 1.551 39.556 38.487 -0.802 0.000 1.147 139 N HN 0.355 nan 8.380 nan 0.000 0.512 140 V N 1.681 121.592 119.914 -0.005 0.000 2.759 140 V HA -0.199 3.923 4.120 0.005 0.000 0.256 140 V C 1.613 177.742 176.094 0.059 0.000 1.080 140 V CA 1.299 63.643 62.300 0.072 0.000 1.101 140 V CB -0.918 31.032 31.823 0.212 0.000 0.698 140 V HN 0.641 nan 8.190 nan 0.000 0.477 141 F N -1.366 118.686 119.950 0.170 0.000 2.604 141 F HA 0.066 4.596 4.527 0.005 0.000 0.298 141 F C 1.842 177.760 175.800 0.196 0.000 1.131 141 F CA 0.663 58.756 58.000 0.154 0.000 1.457 141 F CB -0.721 38.370 39.000 0.151 0.000 1.095 141 F HN 0.196 nan 8.300 nan 0.000 0.574 142 Y N 1.768 121.852 120.300 -0.360 0.000 2.680 142 Y HA 0.233 4.785 4.550 0.004 0.000 0.217 142 Y C 2.091 177.941 175.900 -0.083 0.000 1.016 142 Y CA 0.956 58.946 58.100 -0.183 0.000 1.430 142 Y CB -0.296 37.967 38.460 -0.329 0.000 1.168 142 Y HN 0.008 nan 8.280 nan 0.000 0.486 143 S N -1.320 114.101 115.700 -0.466 0.000 2.787 143 S HA 0.358 4.830 4.470 0.005 0.000 0.255 143 S C 0.088 174.601 174.600 -0.145 0.000 1.051 143 S CA -0.309 57.627 58.200 -0.440 0.000 1.124 143 S CB -0.194 62.597 63.200 -0.681 0.000 1.104 143 S HN 0.137 nan 8.310 nan 0.000 0.623 144 S N 2.784 118.448 115.700 -0.060 0.000 2.601 144 S HA 0.732 5.205 4.470 0.005 0.000 0.271 144 S C 0.104 174.716 174.600 0.020 0.000 1.305 144 S CA -0.218 58.001 58.200 0.033 0.000 1.022 144 S CB 1.242 64.486 63.200 0.075 0.000 0.940 144 S HN 0.785 nan 8.310 nan 0.000 0.525 145 S N 1.648 117.366 115.700 0.031 0.000 2.607 145 S HA 0.830 5.303 4.470 0.005 0.000 0.273 145 S C -1.437 173.113 174.600 -0.084 0.000 1.148 145 S CA -1.097 57.044 58.200 -0.097 0.000 0.833 145 S CB 1.462 64.563 63.200 -0.166 0.000 1.130 145 S HN 0.912 nan 8.310 nan 0.000 0.470 146 W N -0.474 120.711 121.300 -0.192 0.000 3.047 146 W HA 0.858 5.520 4.660 0.004 0.000 0.341 146 W C -1.467 174.893 176.519 -0.264 0.000 1.225 146 W CA -1.201 55.986 57.345 -0.264 0.000 1.150 146 W CB 1.223 30.550 29.460 -0.220 0.000 1.470 146 W HN 1.272 nan 8.180 nan 0.000 0.578 147 A N 2.025 124.863 122.820 0.029 0.000 2.513 147 A HA 0.657 4.979 4.320 0.005 0.000 0.296 147 A C -1.893 175.576 177.584 -0.192 0.000 1.052 147 A CA -0.811 51.121 52.037 -0.176 0.000 0.714 147 A CB 1.220 19.990 19.000 -0.383 0.000 1.279 147 A HN 0.625 nan 8.150 nan 0.000 0.397 148 L N 1.881 122.856 121.223 -0.414 0.000 2.309 148 L HA 0.680 5.023 4.340 0.005 0.000 0.282 148 L C -1.117 175.221 176.870 -0.886 0.000 1.036 148 L CA -0.383 54.118 54.840 -0.565 0.000 0.806 148 L CB 1.257 42.823 42.059 -0.820 0.000 1.220 148 L HN 0.677 nan 8.230 nan 0.000 0.429 149 F N 0.439 120.314 119.950 -0.125 0.000 2.532 149 F HA 0.333 4.864 4.527 0.006 0.000 0.321 149 F C 0.559 176.579 175.800 0.368 0.000 1.089 149 F CA -0.624 57.446 58.000 0.117 0.000 0.926 149 F CB 2.099 41.160 39.000 0.101 0.000 1.168 149 F HN 0.302 nan 8.300 nan 0.000 0.459 150 S N 1.020 117.086 115.700 0.610 0.000 2.505 150 S HA 0.163 4.636 4.470 0.005 0.000 0.276 150 S C 0.903 175.640 174.600 0.228 0.000 1.274 150 S CA -0.316 58.099 58.200 0.357 0.000 1.053 150 S CB 0.793 64.099 63.200 0.176 0.000 0.919 150 S HN 0.750 nan 8.310 nan 0.000 0.490 151 T N 4.154 118.796 114.554 0.146 0.000 2.896 151 T HA 0.027 4.380 4.350 0.005 0.000 0.263 151 T C 0.407 175.136 174.700 0.048 0.000 1.050 151 T CA 0.808 62.961 62.100 0.089 0.000 1.140 151 T CB -0.203 68.684 68.868 0.031 0.000 0.877 151 T HN 0.615 nan 8.240 nan 0.000 0.457 152 D N 0.557 120.970 120.400 0.021 0.000 2.447 152 D HA 0.240 4.883 4.640 0.005 0.000 0.265 152 D C 1.354 177.666 176.300 0.020 0.000 1.250 152 D CA -0.518 53.486 54.000 0.006 0.000 1.046 152 D CB 0.575 41.364 40.800 -0.018 0.000 1.095 152 D HN -0.196 nan 8.370 nan 0.000 0.555 153 K N 0.108 120.514 120.400 0.011 0.000 2.063 153 K HA -0.057 4.265 4.320 0.005 0.000 0.208 153 K C 0.519 177.126 176.600 0.012 0.000 1.048 153 K CA 1.276 57.573 56.287 0.017 0.000 0.928 153 K CB 0.003 32.509 32.500 0.010 0.000 0.713 153 K HN 0.346 nan 8.250 nan 0.000 0.442 154 R N 0.138 120.628 120.500 -0.016 0.000 2.807 154 R HA 0.256 4.599 4.340 0.005 0.000 0.276 154 R C -0.082 176.147 176.300 -0.118 0.000 0.979 154 R CA -0.483 55.590 56.100 -0.046 0.000 0.928 154 R CB 1.785 32.059 30.300 -0.043 0.000 1.191 154 R HN 0.006 nan 8.270 nan 0.000 0.471 155 S N -0.047 115.517 115.700 -0.226 0.000 2.608 155 S HA 0.074 4.547 4.470 0.005 0.000 0.261 155 S C 1.371 175.779 174.600 -0.320 0.000 1.314 155 S CA -0.856 57.044 58.200 -0.500 0.000 0.992 155 S CB 0.942 63.512 63.200 -1.050 0.000 0.935 155 S HN 0.332 nan 8.310 nan 0.000 0.564 156 V N 1.393 121.113 119.914 -0.323 0.000 2.332 156 V HA -0.186 3.936 4.120 0.005 0.000 0.248 156 V C 2.804 178.817 176.094 -0.135 0.000 1.055 156 V CA 2.558 64.760 62.300 -0.164 0.000 1.038 156 V CB -1.621 30.127 31.823 -0.126 0.000 0.651 156 V HN 1.042 nan 8.190 nan 0.000 0.450 157 T N -0.796 113.666 114.554 -0.154 0.000 2.746 157 T HA -0.255 4.097 4.350 0.005 0.000 0.267 157 T C 1.906 176.567 174.700 -0.066 0.000 1.039 157 T CA 1.589 63.642 62.100 -0.078 0.000 1.142 157 T CB -0.260 68.590 68.868 -0.031 0.000 0.866 157 T HN 0.530 nan 8.240 nan 0.000 0.444 158 Q N 0.307 120.051 119.800 -0.094 0.000 2.291 158 Q HA -0.068 4.275 4.340 0.005 0.000 0.205 158 Q C 2.199 178.172 176.000 -0.045 0.000 0.970 158 Q CA 0.987 56.756 55.803 -0.057 0.000 0.876 158 Q CB -0.003 28.699 28.738 -0.060 0.000 0.935 158 Q HN 0.610 nan 8.270 nan 0.000 0.455 159 E N 0.113 120.279 120.200 -0.056 0.000 2.122 159 E HA -0.067 4.286 4.350 0.005 0.000 0.190 159 E C 1.723 178.310 176.600 -0.022 0.000 0.977 159 E CA 0.494 56.873 56.400 -0.036 0.000 0.820 159 E CB 0.168 29.845 29.700 -0.037 0.000 0.770 159 E HN 0.342 nan 8.360 nan 0.000 0.462 160 I N 1.658 122.214 120.570 -0.024 0.000 2.493 160 I HA -0.187 3.986 4.170 0.005 0.000 0.254 160 I C 1.290 177.402 176.117 -0.007 0.000 1.160 160 I CA 0.710 62.003 61.300 -0.012 0.000 1.445 160 I CB -0.015 37.978 38.000 -0.012 0.000 1.086 160 I HN 0.061 nan 8.210 nan 0.000 0.433 161 N N 0.702 119.396 118.700 -0.010 0.000 2.236 161 N HA -0.024 4.719 4.740 0.005 0.000 0.196 161 N C 0.148 175.655 175.510 -0.004 0.000 1.114 161 N CA 0.150 53.198 53.050 -0.004 0.000 0.859 161 N CB -0.037 38.449 38.487 -0.002 0.000 0.982 161 N HN 0.164 nan 8.380 nan 0.000 0.493 162 N N 1.335 120.031 118.700 -0.007 0.000 2.738 162 N HA -0.203 4.540 4.740 0.005 0.000 0.249 162 N C -0.678 174.829 175.510 -0.004 0.000 1.047 162 N CA 0.581 53.627 53.050 -0.006 0.000 0.707 162 N CB -1.049 37.435 38.487 -0.004 0.000 0.937 162 N HN 0.432 nan 8.380 nan 0.000 0.545 163 Q N -0.412 119.385 119.800 -0.005 0.000 2.364 163 Q HA 0.520 4.863 4.340 0.005 0.000 0.204 163 Q C -0.786 175.215 176.000 0.002 0.000 1.002 163 Q CA -0.668 55.136 55.803 0.000 0.000 1.012 163 Q CB 0.913 29.653 28.738 0.003 0.000 1.188 163 Q HN 0.254 nan 8.270 nan 0.000 0.522 164 D N -0.261 120.144 120.400 0.009 0.000 2.738 164 D HA 0.409 5.052 4.640 0.005 0.000 0.237 164 D C -1.250 175.065 176.300 0.025 0.000 1.123 164 D CA -0.366 53.642 54.000 0.014 0.000 0.856 164 D CB 1.887 42.696 40.800 0.015 0.000 1.552 164 D HN 0.607 nan 8.370 nan 0.000 0.480 165 A N 1.491 124.331 122.820 0.033 0.000 2.425 165 A HA 0.204 4.527 4.320 0.005 0.000 0.249 165 A C 1.529 179.146 177.584 0.054 0.000 1.084 165 A CA -0.330 51.740 52.037 0.055 0.000 0.781 165 A CB 0.540 19.584 19.000 0.073 0.000 1.019 165 A HN 0.449 nan 8.150 nan 0.000 0.490 166 V N 1.883 121.834 119.914 0.061 0.000 2.282 166 V HA -0.135 3.987 4.120 0.005 0.000 0.249 166 V C 1.414 177.539 176.094 0.052 0.000 1.057 166 V CA 2.502 64.834 62.300 0.052 0.000 1.032 166 V CB -1.040 30.815 31.823 0.054 0.000 0.645 166 V HN 1.294 nan 8.190 nan 0.000 0.447 167 S N -2.577 113.163 115.700 0.068 0.000 2.683 167 S HA 0.234 4.707 4.470 0.005 0.000 0.269 167 S C -0.303 174.353 174.600 0.093 0.000 1.165 167 S CA -0.254 57.986 58.200 0.067 0.000 0.840 167 S CB 1.176 64.411 63.200 0.058 0.000 1.169 167 S HN 0.188 nan 8.310 nan 0.000 0.490 168 D N 1.107 121.558 120.400 0.085 0.000 2.355 168 D HA 0.092 4.735 4.640 0.005 0.000 0.218 168 D C 1.234 177.617 176.300 0.139 0.000 1.004 168 D CA 1.460 55.523 54.000 0.103 0.000 0.880 168 D CB 0.049 40.887 40.800 0.063 0.000 0.911 168 D HN 0.760 nan 8.370 nan 0.000 0.528 169 T N -2.373 112.263 114.554 0.137 0.000 3.129 169 T HA 0.116 4.468 4.350 0.005 0.000 0.267 169 T C 0.657 175.526 174.700 0.281 0.000 1.018 169 T CA -0.338 61.866 62.100 0.174 0.000 0.903 169 T CB 0.261 69.176 68.868 0.079 0.000 1.067 169 T HN -0.271 nan 8.240 nan 0.000 0.549 170 T N 4.910 119.598 114.554 0.223 0.000 2.744 170 T HA 0.474 4.827 4.350 0.005 0.000 0.291 170 T C -2.724 171.999 174.700 0.039 0.000 0.957 170 T CA -1.158 61.017 62.100 0.125 0.000 1.002 170 T CB 1.283 70.202 68.868 0.084 0.000 0.919 170 T HN 0.109 nan 8.240 nan 0.000 0.468 171 P HA 0.173 nan 4.420 nan 0.000 0.276 171 P C 0.371 177.550 177.300 -0.202 0.000 1.230 171 P CA -0.571 62.117 63.100 -0.687 0.000 0.776 171 P CB 0.273 31.450 31.700 -0.871 0.000 0.888 172 F N 0.314 120.173 119.950 -0.152 0.000 2.789 172 F HA 0.375 4.905 4.527 0.004 0.000 0.300 172 F C 0.467 176.246 175.800 -0.035 0.000 1.132 172 F CA -0.223 57.752 58.000 -0.043 0.000 1.404 172 F CB 0.004 38.991 39.000 -0.022 0.000 1.114 172 F HN 0.198 nan 8.300 nan 0.000 0.584 173 S N -0.071 115.379 115.700 -0.418 0.000 2.543 173 S HA 0.653 5.125 4.470 0.005 0.000 0.274 173 S C -1.480 172.953 174.600 -0.277 0.000 1.149 173 S CA -0.800 57.210 58.200 -0.316 0.000 0.866 173 S CB 0.828 63.910 63.200 -0.196 0.000 1.111 173 S HN 0.483 nan 8.310 nan 0.000 0.457 174 F N 0.300 119.906 119.950 -0.575 0.000 2.744 174 F HA 0.710 5.239 4.527 0.005 0.000 0.311 174 F C -0.422 174.593 175.800 -1.309 0.000 1.144 174 F CA -0.843 56.526 58.000 -1.052 0.000 0.938 174 F CB 0.537 39.114 39.000 -0.704 0.000 1.292 174 F HN 0.511 nan 8.300 nan 0.000 0.444 175 S N 1.129 115.884 115.700 -1.575 0.000 2.652 175 S HA 0.735 5.208 4.470 0.005 0.000 0.270 175 S C 0.008 174.346 174.600 -0.437 0.000 1.243 175 S CA 0.031 57.582 58.200 -1.081 0.000 0.999 175 S CB 1.102 63.570 63.200 -1.220 0.000 0.973 175 S HN 2.616 nan 8.310 nan 0.000 0.544 176 S N 0.639 116.164 115.700 -0.291 0.000 3.859 176 S HA -0.186 4.287 4.470 0.005 0.000 0.678 176 S C 0.226 174.767 174.600 -0.099 0.000 1.658 176 S CA 0.552 58.665 58.200 -0.144 0.000 1.761 176 S CB -1.407 61.735 63.200 -0.095 0.000 0.350 176 S HN 0.975 nan 8.310 nan 0.000 1.312 177 K N 0.655 120.996 120.400 -0.098 0.000 2.366 177 K HA 0.098 4.421 4.320 0.005 0.000 0.198 177 K C 0.702 177.075 176.600 -0.378 0.000 1.044 177 K CA 1.158 57.307 56.287 -0.229 0.000 0.973 177 K CB -0.109 32.224 32.500 -0.278 0.000 0.767 177 K HN 0.586 nan 8.250 nan 0.000 0.475 178 H N -1.353 117.762 119.070 0.075 0.000 2.851 178 H HA 0.522 5.081 4.556 0.004 0.000 0.372 178 H C -1.290 173.859 175.328 -0.298 0.000 1.158 178 H CA -0.983 55.024 56.048 -0.068 0.000 1.159 178 H CB 2.196 31.908 29.762 -0.083 0.000 1.757 178 H HN -0.039 nan 8.280 nan 0.000 0.546 179 A N 1.973 124.490 122.820 -0.506 0.000 2.375 179 A HA 0.543 4.865 4.320 0.005 0.000 0.295 179 A C -0.555 176.795 177.584 -0.390 0.000 1.066 179 A CA -0.635 51.000 52.037 -0.670 0.000 0.722 179 A CB 1.113 19.245 19.000 -1.446 0.000 1.206 179 A HN 0.553 nan 8.150 nan 0.000 0.435 180 T N 2.206 116.622 114.554 -0.229 0.000 2.855 180 T HA 0.643 4.995 4.350 0.005 0.000 0.281 180 T C -0.539 174.125 174.700 -0.059 0.000 1.007 180 T CA -0.016 62.014 62.100 -0.118 0.000 1.009 180 T CB 0.846 69.679 68.868 -0.059 0.000 0.983 180 T HN 0.410 nan 8.240 nan 0.000 0.455 181 I N 2.991 123.554 120.570 -0.013 0.000 2.439 181 I HA 0.264 4.437 4.170 0.005 0.000 0.283 181 I C 0.200 176.345 176.117 0.047 0.000 1.023 181 I CA -0.679 60.648 61.300 0.045 0.000 1.100 181 I CB 1.516 39.560 38.000 0.073 0.000 1.238 181 I HN 0.443 nan 8.210 nan 0.000 0.445 182 E N 5.364 125.611 120.200 0.078 0.000 2.349 182 E HA 0.235 4.588 4.350 0.005 0.000 0.262 182 E C 0.686 177.315 176.600 0.048 0.000 1.088 182 E CA -0.452 55.989 56.400 0.069 0.000 0.899 182 E CB 0.972 30.735 29.700 0.105 0.000 1.044 182 E HN 0.311 nan 8.360 nan 0.000 0.420 183 K N 1.474 121.894 120.400 0.033 0.000 2.103 183 K HA -0.142 4.181 4.320 0.005 0.000 0.207 183 K C 1.297 177.904 176.600 0.011 0.000 1.048 183 K CA 1.009 57.306 56.287 0.016 0.000 0.930 183 K CB -0.351 32.157 32.500 0.012 0.000 0.716 183 K HN 0.527 nan 8.250 nan 0.000 0.444 184 N N 1.232 119.951 118.700 0.032 0.000 2.609 184 N HA -0.150 4.593 4.740 0.005 0.000 0.190 184 N C 0.980 176.500 175.510 0.018 0.000 1.157 184 N CA 0.778 53.847 53.050 0.031 0.000 0.918 184 N CB 0.053 38.575 38.487 0.059 0.000 0.978 184 N HN 0.396 nan 8.380 nan 0.000 0.448 185 E N 0.581 120.784 120.200 0.005 0.000 2.140 185 E HA 0.106 4.458 4.350 0.005 0.000 0.191 185 E C 1.994 178.465 176.600 -0.214 0.000 0.973 185 E CA 0.165 56.509 56.400 -0.093 0.000 0.829 185 E CB 0.061 29.746 29.700 -0.025 0.000 0.781 185 E HN 0.306 nan 8.360 nan 0.000 0.466 186 I N 2.033 122.525 120.570 -0.130 0.000 2.143 186 I HA -0.384 3.789 4.170 0.005 0.000 0.245 186 I C 2.765 178.786 176.117 -0.159 0.000 1.068 186 I CA 1.767 62.987 61.300 -0.134 0.000 1.326 186 I CB -0.722 37.238 38.000 -0.066 0.000 1.028 186 I HN 0.150 nan 8.210 nan 0.000 0.412 187 S N 1.110 116.733 115.700 -0.127 0.000 2.382 187 S HA -0.150 4.323 4.470 0.005 0.000 0.228 187 S C 1.957 176.451 174.600 -0.177 0.000 1.027 187 S CA 1.137 59.268 58.200 -0.115 0.000 0.991 187 S CB -0.829 62.327 63.200 -0.074 0.000 0.823 187 S HN 0.459 nan 8.310 nan 0.000 0.469 188 I N 0.856 121.262 120.570 -0.273 0.000 2.163 188 I HA -0.103 4.070 4.170 0.005 0.000 0.240 188 I C 2.564 178.366 176.117 -0.525 0.000 1.081 188 I CA 1.100 62.153 61.300 -0.412 0.000 1.353 188 I CB -0.488 37.148 38.000 -0.607 0.000 1.054 188 I HN 0.294 nan 8.210 nan 0.000 0.407 189 L N 0.893 121.724 121.223 -0.653 0.000 1.989 189 L HA -0.259 4.084 4.340 0.005 0.000 0.211 189 L C 2.538 179.258 176.870 -0.251 0.000 1.071 189 L CA 1.941 56.453 54.840 -0.546 0.000 0.749 189 L CB -0.861 40.876 42.059 -0.538 0.000 0.890 189 L HN 0.241 nan 8.230 nan 0.000 0.431 190 Q N -0.750 118.941 119.800 -0.183 0.000 2.135 190 Q HA -0.201 4.142 4.340 0.005 0.000 0.204 190 Q C 2.012 177.982 176.000 -0.049 0.000 0.981 190 Q CA 1.572 57.325 55.803 -0.084 0.000 0.856 190 Q CB -0.283 28.417 28.738 -0.064 0.000 0.902 190 Q HN 0.582 nan 8.270 nan 0.000 0.425 191 N N 0.693 119.347 118.700 -0.076 0.000 2.080 191 N HA -0.123 4.619 4.740 0.005 0.000 0.189 191 N C 1.724 177.253 175.510 0.032 0.000 1.036 191 N CA 0.759 53.794 53.050 -0.025 0.000 0.846 191 N CB -0.293 38.161 38.487 -0.055 0.000 1.015 191 N HN 0.138 nan 8.380 nan 0.000 0.423 192 L N 1.871 123.080 121.223 -0.022 0.000 2.127 192 L HA -0.069 4.274 4.340 0.005 0.000 0.211 192 L C 2.208 179.195 176.870 0.195 0.000 1.089 192 L CA 1.454 56.338 54.840 0.074 0.000 0.757 192 L CB -0.341 41.709 42.059 -0.015 0.000 0.899 192 L HN 0.049 nan 8.230 nan 0.000 0.434 193 R N -0.568 119.993 120.500 0.102 0.000 2.075 193 R HA -0.178 4.165 4.340 0.005 0.000 0.232 193 R C 2.379 178.755 176.300 0.127 0.000 1.126 193 R CA 1.605 57.773 56.100 0.114 0.000 0.963 193 R CB -0.183 30.153 30.300 0.061 0.000 0.858 193 R HN 0.378 nan 8.270 nan 0.000 0.435 194 K N -0.443 120.027 120.400 0.116 0.000 2.097 194 K HA -0.204 4.119 4.320 0.005 0.000 0.205 194 K C 1.854 178.543 176.600 0.147 0.000 1.050 194 K CA 1.442 57.792 56.287 0.105 0.000 0.938 194 K CB -0.205 32.346 32.500 0.085 0.000 0.718 194 K HN 0.210 nan 8.250 nan 0.000 0.442 195 W N 1.267 122.586 121.300 0.031 0.000 2.379 195 W HA -0.157 4.507 4.660 0.006 0.000 0.307 195 W C 1.942 178.539 176.519 0.130 0.000 1.200 195 W CA 2.246 59.616 57.345 0.041 0.000 1.297 195 W CB -0.418 29.032 29.460 -0.018 0.000 1.140 195 W HN 0.158 nan 8.180 nan 0.000 0.507 196 A N 0.812 123.829 122.820 0.328 0.000 1.948 196 A HA -0.297 4.026 4.320 0.005 0.000 0.220 196 A C 1.872 179.530 177.584 0.124 0.000 1.177 196 A CA 2.167 54.357 52.037 0.254 0.000 0.636 196 A CB -1.031 18.146 19.000 0.296 0.000 0.815 196 A HN 0.495 nan 8.150 nan 0.000 0.449 197 N N -0.520 118.214 118.700 0.056 0.000 2.300 197 N HA -0.096 4.647 4.740 0.005 0.000 0.179 197 N C 1.886 177.400 175.510 0.007 0.000 1.016 197 N CA 1.243 54.314 53.050 0.036 0.000 0.876 197 N CB -0.327 38.174 38.487 0.022 0.000 0.979 197 N HN 0.677 nan 8.380 nan 0.000 0.432 198 Q N -0.549 119.211 119.800 -0.067 0.000 2.123 198 Q HA -0.131 4.211 4.340 0.005 0.000 0.199 198 Q C 1.594 177.523 176.000 -0.118 0.000 0.966 198 Q CA 0.919 56.663 55.803 -0.099 0.000 0.845 198 Q CB -0.139 28.526 28.738 -0.121 0.000 0.907 198 Q HN 0.396 nan 8.270 nan 0.000 0.439 199 Y N 0.375 120.397 120.300 -0.463 0.000 2.109 199 Y HA -0.198 4.356 4.550 0.007 0.000 0.285 199 Y C 1.695 177.543 175.900 -0.088 0.000 1.131 199 Y CA 1.216 59.044 58.100 -0.454 0.000 1.121 199 Y CB -0.479 37.291 38.460 -1.150 0.000 0.987 199 Y HN -0.031 nan 8.280 nan 0.000 0.495 200 F N 0.384 120.167 119.950 -0.279 0.000 2.269 200 F HA -0.157 4.372 4.527 0.004 0.000 0.301 200 F C 2.788 178.490 175.800 -0.163 0.000 1.082 200 F CA 1.571 59.424 58.000 -0.245 0.000 1.360 200 F CB -0.722 38.230 39.000 -0.080 0.000 1.041 200 F HN 0.220 nan 8.300 nan 0.000 0.512 201 S N -2.194 113.524 115.700 0.029 0.000 2.446 201 S HA -0.047 4.426 4.470 0.005 0.000 0.225 201 S C 1.907 176.443 174.600 -0.106 0.000 1.016 201 S CA 0.968 59.152 58.200 -0.027 0.000 0.943 201 S CB -0.358 62.830 63.200 -0.019 0.000 0.786 201 S HN 0.182 nan 8.310 nan 0.000 0.508 202 S N -0.039 115.567 115.700 -0.157 0.000 2.441 202 S HA 0.355 4.828 4.470 0.005 0.000 0.224 202 S C -0.157 174.130 174.600 -0.522 0.000 1.043 202 S CA 0.018 58.019 58.200 -0.332 0.000 0.948 202 S CB -0.159 62.814 63.200 -0.380 0.000 0.810 202 S HN 0.610 nan 8.310 nan 0.000 0.504 203 Y N 0.321 120.493 120.300 -0.214 0.000 2.621 203 Y HA 0.446 4.999 4.550 0.005 0.000 0.334 203 Y C 1.548 177.258 175.900 -0.318 0.000 1.074 203 Y CA -0.939 57.021 58.100 -0.233 0.000 1.149 203 Y CB 0.864 39.178 38.460 -0.244 0.000 1.302 203 Y HN -0.152 nan 8.280 nan 0.000 0.501 204 S N -0.632 115.037 115.700 -0.051 0.000 2.414 204 S HA -0.096 4.377 4.470 0.005 0.000 0.227 204 S C 1.437 175.909 174.600 -0.213 0.000 1.022 204 S CA 1.056 59.195 58.200 -0.102 0.000 0.958 204 S CB -0.149 63.053 63.200 0.003 0.000 0.797 204 S HN 0.678 nan 8.310 nan 0.000 0.493 205 V N 0.021 119.748 119.914 -0.312 0.000 0.516 205 V HA -0.252 3.871 4.120 0.005 0.000 0.092 205 V C 0.166 176.225 176.094 -0.058 0.000 2.243 205 V CA 1.609 63.649 62.300 -0.434 0.000 3.573 205 V CB -1.006 30.195 31.823 -1.038 0.000 0.862 205 V HN 0.470 nan 8.190 nan 0.000 0.902 206 I N 3.021 123.616 120.570 0.042 0.000 2.257 206 I HA 0.316 4.489 4.170 0.005 0.000 0.290 206 I C 0.963 177.227 176.117 0.244 0.000 1.137 206 I CA 0.563 61.969 61.300 0.177 0.000 1.255 206 I CB 0.098 38.256 38.000 0.263 0.000 1.485 206 I HN 0.612 nan 8.210 nan 0.000 0.534 207 S N 3.113 118.938 115.700 0.208 0.000 2.596 207 S HA 0.069 4.542 4.470 0.005 0.000 0.260 207 S C 1.560 176.273 174.600 0.189 0.000 1.336 207 S CA -0.103 58.212 58.200 0.191 0.000 0.993 207 S CB 0.742 64.018 63.200 0.126 0.000 0.923 207 S HN 0.669 nan 8.310 nan 0.000 0.567 208 S N 0.564 116.271 115.700 0.012 0.000 2.400 208 S HA -0.222 4.251 4.470 0.005 0.000 0.232 208 S C 1.319 175.690 174.600 -0.382 0.000 1.025 208 S CA 1.293 59.274 58.200 -0.365 0.000 0.993 208 S CB -0.904 62.164 63.200 -0.220 0.000 0.808 208 S HN 0.904 nan 8.310 nan 0.000 0.478 209 D N 0.920 121.246 120.400 -0.124 0.000 2.363 209 D HA -0.037 4.606 4.640 0.005 0.000 0.226 209 D C 1.440 177.740 176.300 0.000 0.000 1.020 209 D CA 0.399 54.361 54.000 -0.063 0.000 0.892 209 D CB -0.312 40.492 40.800 0.006 0.000 0.900 209 D HN 0.509 nan 8.370 nan 0.000 0.531 210 M N -0.458 119.170 119.600 0.047 0.000 2.371 210 M HA 0.155 4.638 4.480 0.005 0.000 0.246 210 M C -0.579 175.882 176.300 0.268 0.000 1.103 210 M CA -0.138 55.266 55.300 0.173 0.000 1.010 210 M CB 0.262 33.000 32.600 0.230 0.000 1.457 210 M HN 0.042 nan 8.290 nan 0.000 0.486 211 Y N -3.721 116.622 120.300 0.072 0.000 2.609 211 Y HA 0.651 5.203 4.550 0.004 0.000 0.336 211 Y C -0.967 174.959 175.900 0.043 0.000 1.129 211 Y CA -1.406 56.740 58.100 0.078 0.000 1.040 211 Y CB 0.744 39.251 38.460 0.077 0.000 1.310 211 Y HN -0.310 nan 8.280 nan 0.000 0.460 212 T N 2.125 116.766 114.554 0.145 0.000 2.823 212 T HA 0.714 5.066 4.350 0.005 0.000 0.279 212 T C -0.073 174.609 174.700 -0.030 0.000 0.998 212 T CA -0.354 61.715 62.100 -0.052 0.000 0.994 212 T CB 1.305 70.053 68.868 -0.200 0.000 0.960 212 T HN 0.953 nan 8.240 nan 0.000 0.448 213 A N 3.029 125.803 122.820 -0.076 0.000 2.520 213 A HA 0.300 4.623 4.320 0.005 0.000 0.245 213 A C 1.527 179.047 177.584 -0.107 0.000 1.072 213 A CA -0.260 51.758 52.037 -0.031 0.000 0.761 213 A CB -0.273 18.706 19.000 -0.037 0.000 1.004 213 A HN 1.011 nan 8.150 nan 0.000 0.499 214 L N 1.751 122.938 121.223 -0.059 0.000 2.127 214 L HA -0.205 4.137 4.340 0.005 0.000 0.211 214 L C 2.059 178.956 176.870 0.045 0.000 1.089 214 L CA 1.569 56.343 54.840 -0.110 0.000 0.757 214 L CB -0.508 41.548 42.059 -0.006 0.000 0.899 214 L HN 0.968 nan 8.230 nan 0.000 0.434 215 N N -0.608 118.135 118.700 0.070 0.000 2.515 215 N HA -0.110 4.633 4.740 0.005 0.000 0.191 215 N C 0.895 176.406 175.510 0.003 0.000 1.182 215 N CA 0.553 53.659 53.050 0.094 0.000 0.879 215 N CB 0.052 38.579 38.487 0.067 0.000 0.984 215 N HN 0.258 nan 8.380 nan 0.000 0.453 216 K N -0.644 119.707 120.400 -0.083 0.000 2.477 216 K HA 0.341 4.664 4.320 0.005 0.000 0.208 216 K C 1.248 177.688 176.600 -0.267 0.000 1.117 216 K CA 0.274 56.473 56.287 -0.146 0.000 1.039 216 K CB 0.618 33.033 32.500 -0.141 0.000 0.937 216 K HN 0.157 nan 8.250 nan 0.000 0.570 217 A N 1.525 124.148 122.820 -0.328 0.000 1.940 217 A HA -0.234 4.089 4.320 0.005 0.000 0.219 217 A C 2.148 179.518 177.584 -0.357 0.000 1.176 217 A CA 1.673 53.378 52.037 -0.553 0.000 0.631 217 A CB -0.356 18.401 19.000 -0.404 0.000 0.814 217 A HN 0.390 nan 8.150 nan 0.000 0.446 218 Q N -0.858 118.648 119.800 -0.491 0.000 2.437 218 Q HA 0.044 4.386 4.340 0.005 0.000 0.210 218 Q C 1.707 177.502 176.000 -0.340 0.000 0.972 218 Q CA 0.913 56.234 55.803 -0.803 0.000 0.903 218 Q CB -0.240 27.924 28.738 -0.957 0.000 0.967 218 Q HN 0.631 nan 8.270 nan 0.000 0.486 219 A N -0.192 122.489 122.820 -0.231 0.000 2.218 219 A HA 0.055 4.378 4.320 0.005 0.000 0.209 219 A C 0.488 178.025 177.584 -0.080 0.000 1.168 219 A CA -0.093 51.865 52.037 -0.132 0.000 0.804 219 A CB 0.212 19.143 19.000 -0.115 0.000 0.834 219 A HN 0.256 nan 8.150 nan 0.000 0.482 220 Q N 0.169 119.926 119.800 -0.071 0.000 2.327 220 Q HA 0.181 4.524 4.340 0.005 0.000 0.254 220 Q C 0.342 176.398 176.000 0.092 0.000 0.952 220 Q CA 0.091 55.914 55.803 0.034 0.000 0.884 220 Q CB 1.245 30.065 28.738 0.136 0.000 1.224 220 Q HN 0.412 nan 8.270 nan 0.000 0.422 221 K N 0.703 121.158 120.400 0.092 0.000 2.031 221 K HA -0.041 4.282 4.320 0.005 0.000 0.205 221 K C 1.077 177.748 176.600 0.118 0.000 1.049 221 K CA 1.268 57.608 56.287 0.088 0.000 0.939 221 K CB 0.212 32.752 32.500 0.067 0.000 0.717 221 K HN 0.728 nan 8.250 nan 0.000 0.438 222 G N 0.508 109.394 108.800 0.142 0.000 3.302 222 G HA2 0.064 4.027 3.960 0.005 0.000 0.170 222 G HA3 0.064 4.027 3.960 0.005 0.000 0.170 222 G C -1.164 173.834 174.900 0.162 0.000 1.119 222 G CA -0.378 44.802 45.100 0.134 0.000 0.826 222 G HN 0.263 nan 8.290 nan 0.000 0.646 223 D N -0.278 120.170 120.400 0.081 0.000 2.354 223 D HA 0.507 5.150 4.640 0.005 0.000 0.247 223 D C -0.517 175.807 176.300 0.040 0.000 1.138 223 D CA -0.066 53.897 54.000 -0.063 0.000 0.958 223 D CB 1.558 42.325 40.800 -0.056 0.000 1.144 223 D HN 0.332 nan 8.370 nan 0.000 0.458 224 F N -2.269 117.715 119.950 0.057 0.000 2.789 224 F HA 0.524 5.054 4.527 0.004 0.000 0.319 224 F C -1.373 174.457 175.800 0.050 0.000 1.168 224 F CA -1.228 56.801 58.000 0.048 0.000 0.934 224 F CB 0.862 39.882 39.000 0.033 0.000 1.375 224 F HN 0.033 nan 8.300 nan 0.000 0.480 225 D N 0.628 121.256 120.400 0.380 0.000 2.299 225 D HA 0.702 5.344 4.640 0.005 0.000 0.243 225 D C -0.939 175.576 176.300 0.359 0.000 0.982 225 D CA -0.291 53.867 54.000 0.264 0.000 0.924 225 D CB 2.594 43.520 40.800 0.209 0.000 1.238 225 D HN 0.459 nan 8.370 nan 0.000 0.484 226 V N 0.440 120.483 119.914 0.216 0.000 2.962 226 V HA 0.524 4.647 4.120 0.005 0.000 0.313 226 V C -0.459 175.644 176.094 0.015 0.000 1.099 226 V CA -0.830 61.566 62.300 0.159 0.000 0.971 226 V CB 2.558 34.444 31.823 0.106 0.000 1.028 226 V HN 0.301 nan 8.190 nan 0.000 0.430 227 V N 2.533 122.383 119.914 -0.107 0.000 2.445 227 V HA 0.865 4.988 4.120 0.005 0.000 0.283 227 V C -0.039 175.958 176.094 -0.162 0.000 1.014 227 V CA 0.043 62.190 62.300 -0.254 0.000 0.852 227 V CB 1.153 32.497 31.823 -0.797 0.000 1.021 227 V HN 1.152 nan 8.190 nan 0.000 0.435 228 A N 4.329 127.100 122.820 -0.081 0.000 2.569 228 A HA 0.853 5.176 4.320 0.005 0.000 0.290 228 A C -0.894 176.659 177.584 -0.052 0.000 1.136 228 A CA -0.856 51.146 52.037 -0.060 0.000 0.710 228 A CB 1.963 20.946 19.000 -0.028 0.000 1.303 228 A HN 0.599 nan 8.150 nan 0.000 0.413 229 K N 0.793 121.162 120.400 -0.052 0.000 2.143 229 K HA 0.582 4.904 4.320 0.005 0.000 0.272 229 K C -1.076 175.496 176.600 -0.046 0.000 1.001 229 K CA -0.396 55.861 56.287 -0.050 0.000 0.915 229 K CB 0.524 32.992 32.500 -0.053 0.000 1.047 229 K HN 0.567 nan 8.250 nan 0.000 0.458 230 I N 5.870 126.413 120.570 -0.045 0.000 2.322 230 I HA -0.023 4.150 4.170 0.005 0.000 0.292 230 I C 0.696 176.791 176.117 -0.037 0.000 1.060 230 I CA -0.416 60.857 61.300 -0.045 0.000 1.309 230 I CB 0.792 38.762 38.000 -0.050 0.000 1.415 230 I HN 0.634 nan 8.210 nan 0.000 0.492 231 L N 5.075 126.274 121.223 -0.040 0.000 2.341 231 L HA 0.148 4.491 4.340 0.005 0.000 0.214 231 L C 0.623 177.491 176.870 -0.004 0.000 1.115 231 L CA 1.152 55.977 54.840 -0.025 0.000 0.820 231 L CB -0.522 41.517 42.059 -0.034 0.000 0.944 231 L HN 0.667 nan 8.230 nan 0.000 0.452 232 Q N -1.032 118.766 119.800 -0.004 0.000 2.468 232 Q HA 0.331 4.674 4.340 0.005 0.000 0.263 232 Q C -2.008 174.011 176.000 0.032 0.000 0.979 232 Q CA -0.307 55.507 55.803 0.019 0.000 0.932 232 Q CB 1.946 30.707 28.738 0.038 0.000 1.462 232 Q HN -0.214 nan 8.270 nan 0.000 0.403 233 V N 3.854 123.786 119.914 0.030 0.000 2.284 233 V HA 0.251 4.373 4.120 0.005 0.000 0.274 233 V C -0.746 175.378 176.094 0.050 0.000 1.023 233 V CA -0.559 61.760 62.300 0.031 0.000 0.808 233 V CB 0.670 32.493 31.823 0.000 0.000 1.035 233 V HN 0.705 nan 8.190 nan 0.000 0.445 234 H N 3.376 122.416 119.070 -0.051 0.000 2.652 234 H HA 0.318 4.876 4.556 0.005 0.000 0.298 234 H C 0.247 175.503 175.328 -0.121 0.000 1.076 234 H CA -0.447 55.525 56.048 -0.127 0.000 1.360 234 H CB 0.960 30.628 29.762 -0.157 0.000 1.421 234 H HN 0.707 nan 8.280 nan 0.000 0.464 235 E N 5.413 125.333 120.200 -0.467 0.000 1.985 235 E HA -0.007 4.346 4.350 0.005 0.000 0.268 235 E C 0.434 176.639 176.600 -0.659 0.000 1.219 235 E CA -0.252 55.903 56.400 -0.409 0.000 0.942 235 E CB 0.184 29.751 29.700 -0.223 0.000 1.045 235 E HN 0.693 nan 8.360 nan 0.000 0.413 236 L N 4.655 125.576 121.223 -0.505 0.000 2.056 236 L HA -0.017 4.325 4.340 0.005 0.000 0.207 236 L C 0.058 176.826 176.870 -0.170 0.000 1.078 236 L CA 2.024 56.647 54.840 -0.361 0.000 0.749 236 L CB -0.057 41.910 42.059 -0.153 0.000 0.901 236 L HN 0.771 nan 8.230 nan 0.000 0.433 237 D N -4.827 115.498 120.400 -0.126 0.000 2.779 237 D HA 0.037 4.680 4.640 0.005 0.000 0.331 237 D C 0.599 176.817 176.300 -0.136 0.000 1.331 237 D CA -0.172 53.778 54.000 -0.084 0.000 0.866 237 D CB 0.065 40.848 40.800 -0.029 0.000 1.409 237 D HN -0.020 nan 8.370 nan 0.000 0.486 238 E N -1.149 118.915 120.200 -0.228 0.000 2.169 238 E HA -0.275 4.078 4.350 0.005 0.000 0.202 238 E C 0.274 176.569 176.600 -0.508 0.000 1.016 238 E CA 1.672 57.797 56.400 -0.458 0.000 0.817 238 E CB -0.121 29.120 29.700 -0.765 0.000 0.736 238 E HN 0.583 nan 8.360 nan 0.000 0.462 239 Y N -1.059 119.226 120.300 -0.024 0.000 2.588 239 Y HA 0.303 4.855 4.550 0.005 0.000 0.247 239 Y C -0.271 175.607 175.900 -0.036 0.000 1.157 239 Y CA -0.462 57.620 58.100 -0.030 0.000 1.215 239 Y CB 1.303 39.744 38.460 -0.032 0.000 1.245 239 Y HN -0.175 nan 8.280 nan 0.000 0.534 240 T N 0.875 115.467 114.554 0.063 0.000 2.921 240 T HA 0.330 4.683 4.350 0.005 0.000 0.297 240 T C -0.792 173.894 174.700 -0.024 0.000 1.013 240 T CA -0.945 61.174 62.100 0.031 0.000 0.990 240 T CB 1.541 70.431 68.868 0.036 0.000 1.023 240 T HN -0.029 nan 8.240 nan 0.000 0.447 241 N N 2.087 120.784 118.700 -0.004 0.000 2.417 241 N HA 0.311 5.054 4.740 0.005 0.000 0.300 241 N C -0.615 174.901 175.510 0.010 0.000 1.102 241 N CA -0.584 52.451 53.050 -0.025 0.000 0.886 241 N CB 2.072 40.562 38.487 0.004 0.000 1.203 241 N HN 0.700 nan 8.380 nan 0.000 0.496 242 E N 2.329 122.538 120.200 0.016 0.000 2.114 242 E HA 0.214 4.566 4.350 0.005 0.000 0.266 242 E C -0.943 175.745 176.600 0.146 0.000 0.896 242 E CA -0.669 55.792 56.400 0.101 0.000 0.750 242 E CB 0.665 30.448 29.700 0.138 0.000 1.121 242 E HN 0.239 nan 8.360 nan 0.000 0.413 243 L N 4.186 125.483 121.223 0.123 0.000 2.349 243 L HA 0.274 4.617 4.340 0.005 0.000 0.275 243 L C 0.261 177.183 176.870 0.085 0.000 1.115 243 L CA 0.290 55.178 54.840 0.081 0.000 0.820 243 L CB 0.919 42.992 42.059 0.023 0.000 1.135 243 L HN 0.451 nan 8.230 nan 0.000 0.445 244 K N 4.517 124.913 120.400 -0.007 0.000 2.334 244 K HA 0.566 4.889 4.320 0.005 0.000 0.265 244 K C -1.323 175.172 176.600 -0.175 0.000 1.039 244 K CA -0.422 55.721 56.287 -0.240 0.000 0.920 244 K CB 0.466 32.859 32.500 -0.179 0.000 1.160 244 K HN 0.514 nan 8.250 nan 0.000 0.451 245 L N 3.150 124.272 121.223 -0.169 0.000 2.334 245 L HA 0.589 4.932 4.340 0.005 0.000 0.270 245 L C -0.414 176.431 176.870 -0.042 0.000 1.018 245 L CA -0.948 53.852 54.840 -0.066 0.000 0.811 245 L CB 1.604 43.659 42.059 -0.007 0.000 1.271 245 L HN 0.552 nan 8.230 nan 0.000 0.443 246 K N 1.477 121.865 120.400 -0.020 0.000 2.589 246 K HA 0.239 4.562 4.320 0.005 0.000 0.253 246 K C -1.759 174.840 176.600 -0.001 0.000 0.974 246 K CA -0.557 55.731 56.287 0.002 0.000 0.835 246 K CB 1.623 34.108 32.500 -0.024 0.000 1.272 246 K HN 0.742 nan 8.250 nan 0.000 0.444 247 D N 2.757 123.170 120.400 0.021 0.000 2.567 247 D HA 0.260 4.903 4.640 0.005 0.000 0.275 247 D C 0.975 177.284 176.300 0.015 0.000 1.195 247 D CA -0.208 53.797 54.000 0.009 0.000 1.087 247 D CB 0.389 41.206 40.800 0.028 0.000 1.165 247 D HN 0.387 nan 8.370 nan 0.000 0.609 248 A N -0.346 122.489 122.820 0.026 0.000 2.019 248 A HA -0.122 4.201 4.320 0.005 0.000 0.219 248 A C 2.008 179.610 177.584 0.030 0.000 1.164 248 A CA 2.218 54.272 52.037 0.027 0.000 0.644 248 A CB -1.081 17.950 19.000 0.051 0.000 0.805 248 A HN 0.602 nan 8.150 nan 0.000 0.449 249 S N -1.791 113.934 115.700 0.042 0.000 2.555 249 S HA 0.312 4.785 4.470 0.005 0.000 0.230 249 S C 1.526 176.146 174.600 0.034 0.000 0.978 249 S CA 1.154 59.376 58.200 0.035 0.000 0.934 249 S CB -0.487 62.736 63.200 0.039 0.000 0.766 249 S HN 1.915 nan 8.310 nan 0.000 0.533 250 G N 0.071 108.890 108.800 0.031 0.000 2.179 250 G HA2 -0.239 3.724 3.960 0.005 0.000 0.260 250 G HA3 -0.239 3.724 3.960 0.005 0.000 0.260 250 G C -0.050 174.875 174.900 0.042 0.000 0.977 250 G CA 0.201 45.316 45.100 0.024 0.000 0.641 250 G HN 0.557 nan 8.290 nan 0.000 0.533 251 Q N 0.248 120.095 119.800 0.078 0.000 2.288 251 Q HA 0.538 4.881 4.340 0.005 0.000 0.254 251 Q C 0.227 176.317 176.000 0.150 0.000 0.932 251 Q CA -0.193 55.687 55.803 0.129 0.000 0.902 251 Q CB 1.740 30.613 28.738 0.225 0.000 1.203 251 Q HN 0.239 nan 8.270 nan 0.000 0.415 252 V N 4.382 124.345 119.914 0.082 0.000 2.481 252 V HA 0.488 4.610 4.120 0.005 0.000 0.286 252 V C -0.461 175.625 176.094 -0.013 0.000 1.042 252 V CA -0.257 62.045 62.300 0.003 0.000 0.928 252 V CB 0.861 32.624 31.823 -0.100 0.000 0.986 252 V HN 0.589 nan 8.190 nan 0.000 0.462 253 F N 2.601 122.446 119.950 -0.175 0.000 2.613 253 F HA 0.665 5.195 4.527 0.005 0.000 0.310 253 F C -0.688 174.949 175.800 -0.271 0.000 1.085 253 F CA -0.735 57.200 58.000 -0.110 0.000 0.945 253 F CB 2.104 41.111 39.000 0.011 0.000 1.298 253 F HN 0.320 nan 8.300 nan 0.000 0.455 254 Y N 0.180 120.586 120.300 0.177 0.000 2.509 254 Y HA 0.675 5.228 4.550 0.005 0.000 0.341 254 Y C 0.149 176.126 175.900 0.128 0.000 1.038 254 Y CA -0.727 57.438 58.100 0.109 0.000 1.089 254 Y CB 2.446 40.930 38.460 0.040 0.000 1.241 254 Y HN 0.497 nan 8.280 nan 0.000 0.468 255 T N 2.507 117.206 114.554 0.242 0.000 2.942 255 T HA 0.493 4.846 4.350 0.005 0.000 0.327 255 T C -1.722 173.051 174.700 0.121 0.000 1.360 255 T CA -0.723 61.469 62.100 0.153 0.000 1.055 255 T CB 0.665 69.593 68.868 0.100 0.000 1.261 255 T HN 0.514 nan 8.240 nan 0.000 0.485 256 L N 3.123 124.400 121.223 0.091 0.000 2.305 256 L HA 0.626 4.969 4.340 0.005 0.000 0.281 256 L C 0.294 177.221 176.870 0.096 0.000 1.085 256 L CA -0.588 54.299 54.840 0.078 0.000 0.813 256 L CB 1.561 43.652 42.059 0.054 0.000 1.157 256 L HN 0.564 nan 8.230 nan 0.000 0.436 257 S N 4.468 120.234 115.700 0.110 0.000 2.756 257 S HA 0.477 4.950 4.470 0.005 0.000 0.303 257 S C -0.418 174.261 174.600 0.131 0.000 1.135 257 S CA -0.696 57.624 58.200 0.201 0.000 1.066 257 S CB 0.560 63.888 63.200 0.213 0.000 1.008 257 S HN 0.463 nan 8.310 nan 0.000 0.482 258 L N 5.425 126.675 121.223 0.046 0.000 2.514 258 L HA 0.132 4.475 4.340 0.005 0.000 0.280 258 L C 1.684 178.551 176.870 -0.005 0.000 1.223 258 L CA -0.014 54.809 54.840 -0.028 0.000 0.864 258 L CB 0.439 42.409 42.059 -0.149 0.000 1.118 258 L HN 0.750 nan 8.230 nan 0.000 0.494 259 K N 1.890 122.309 120.400 0.032 0.000 2.026 259 K HA -0.200 4.123 4.320 0.005 0.000 0.208 259 K C 1.702 178.324 176.600 0.036 0.000 1.048 259 K CA 1.079 57.394 56.287 0.047 0.000 0.929 259 K CB -0.137 32.397 32.500 0.056 0.000 0.713 259 K HN 0.442 nan 8.250 nan 0.000 0.439 260 L N 1.976 123.208 121.223 0.014 0.000 2.056 260 L HA -0.148 4.195 4.340 0.005 0.000 0.207 260 L C 2.214 179.075 176.870 -0.015 0.000 1.078 260 L CA 1.819 56.667 54.840 0.013 0.000 0.749 260 L CB -0.401 41.658 42.059 0.000 0.000 0.901 260 L HN 0.024 nan 8.230 nan 0.000 0.433 261 K N -0.902 119.382 120.400 -0.194 0.000 2.025 261 K HA -0.125 4.198 4.320 0.005 0.000 0.207 261 K C 0.123 176.514 176.600 -0.349 0.000 1.049 261 K CA 1.445 57.438 56.287 -0.490 0.000 0.933 261 K CB -0.150 31.682 32.500 -1.114 0.000 0.714 261 K HN 0.315 nan 8.250 nan 0.000 0.438 262 F N 1.260 121.275 119.950 0.109 0.000 2.449 262 F HA 0.282 4.812 4.527 0.004 0.000 0.329 262 F C -1.892 174.000 175.800 0.153 0.000 1.245 262 F CA -1.968 56.166 58.000 0.222 0.000 1.193 262 F CB 1.606 40.675 39.000 0.115 0.000 1.425 262 F HN 0.055 nan 8.300 nan 0.000 0.544 263 P HA -0.125 nan 4.420 nan 0.000 0.245 263 P C 0.739 178.110 177.300 0.118 0.000 1.212 263 P CA 1.035 64.214 63.100 0.130 0.000 0.774 263 P CB -0.161 31.581 31.700 0.070 0.000 0.999 264 H N -0.725 118.284 119.070 -0.102 0.000 2.586 264 H HA 0.140 4.698 4.556 0.005 0.000 0.273 264 H C 0.547 175.845 175.328 -0.049 0.000 0.997 264 H CA -0.359 55.622 56.048 -0.112 0.000 1.177 264 H CB -1.355 28.280 29.762 -0.212 0.000 1.471 264 H HN -0.098 nan 8.280 nan 0.000 0.538 265 V N 0.859 120.602 119.914 -0.285 0.000 2.673 265 V HA 0.358 4.481 4.120 0.005 0.000 0.303 265 V C 0.093 176.120 176.094 -0.111 0.000 1.046 265 V CA -0.512 61.636 62.300 -0.252 0.000 1.126 265 V CB 0.648 32.371 31.823 -0.167 0.000 0.934 265 V HN 0.236 nan 8.190 nan 0.000 0.487 266 R N 2.455 122.899 120.500 -0.093 0.000 2.548 266 R HA 0.414 4.756 4.340 0.005 0.000 0.280 266 R C -0.430 175.847 176.300 -0.039 0.000 1.061 266 R CA -0.579 55.493 56.100 -0.047 0.000 0.915 266 R CB 1.902 32.183 30.300 -0.031 0.000 1.210 266 R HN 0.858 nan 8.270 nan 0.000 0.442 267 T N 0.689 115.227 114.554 -0.026 0.000 2.946 267 T HA 0.221 4.573 4.350 0.005 0.000 0.311 267 T C 1.356 176.044 174.700 -0.020 0.000 1.063 267 T CA 1.595 63.683 62.100 -0.020 0.000 1.139 267 T CB 0.512 69.374 68.868 -0.010 0.000 0.994 267 T HN 0.845 nan 8.240 nan 0.000 0.547 268 G N 1.929 110.714 108.800 -0.024 0.000 2.225 268 G HA2 -0.202 3.761 3.960 0.005 0.000 0.254 268 G HA3 -0.202 3.761 3.960 0.005 0.000 0.254 268 G C 0.023 174.907 174.900 -0.028 0.000 0.988 268 G CA -0.243 44.842 45.100 -0.025 0.000 0.625 268 G HN 0.627 nan 8.290 nan 0.000 0.527 269 E N 0.075 120.259 120.200 -0.026 0.000 2.277 269 E HA 0.608 4.961 4.350 0.005 0.000 0.274 269 E C 0.161 176.751 176.600 -0.017 0.000 1.022 269 E CA -0.618 55.772 56.400 -0.016 0.000 0.853 269 E CB 1.966 31.661 29.700 -0.009 0.000 1.086 269 E HN 0.180 nan 8.360 nan 0.000 0.397 270 V N 2.584 122.497 119.914 -0.002 0.000 2.439 270 V HA 0.356 4.479 4.120 0.005 0.000 0.282 270 V C 0.196 176.374 176.094 0.139 0.000 1.039 270 V CA -0.577 61.721 62.300 -0.004 0.000 0.913 270 V CB 1.436 33.188 31.823 -0.119 0.000 0.983 270 V HN 0.491 nan 8.190 nan 0.000 0.460 271 V N 3.114 123.100 119.914 0.120 0.000 3.102 271 V HA 0.740 4.863 4.120 0.005 0.000 0.312 271 V C -0.544 175.651 176.094 0.167 0.000 1.135 271 V CA -1.188 61.213 62.300 0.168 0.000 1.022 271 V CB 2.043 33.853 31.823 -0.022 0.000 1.056 271 V HN 0.880 nan 8.190 nan 0.000 0.436 272 R N 2.230 122.788 120.500 0.097 0.000 2.343 272 R HA 0.688 5.030 4.340 0.005 0.000 0.320 272 R C -1.385 174.892 176.300 -0.038 0.000 0.956 272 R CA -0.720 55.401 56.100 0.035 0.000 0.836 272 R CB 1.353 31.651 30.300 -0.003 0.000 1.151 272 R HN 0.889 nan 8.270 nan 0.000 0.450 273 I N 4.835 125.387 120.570 -0.031 0.000 2.307 273 I HA 0.254 4.427 4.170 0.005 0.000 0.289 273 I C 0.046 176.151 176.117 -0.019 0.000 1.021 273 I CA -0.907 60.355 61.300 -0.063 0.000 1.224 273 I CB 1.298 39.253 38.000 -0.076 0.000 1.376 273 I HN 0.456 nan 8.210 nan 0.000 0.470 274 R N 6.044 126.535 120.500 -0.016 0.000 2.210 274 R HA 0.333 4.676 4.340 0.005 0.000 0.338 274 R C -0.201 176.105 176.300 0.011 0.000 1.062 274 R CA 0.151 56.262 56.100 0.020 0.000 0.902 274 R CB 0.331 30.655 30.300 0.041 0.000 1.050 274 R HN 0.692 nan 8.270 nan 0.000 0.461 275 S N 2.256 117.949 115.700 -0.012 0.000 3.373 275 S HA 0.065 4.538 4.470 0.005 0.000 0.728 275 S C -1.236 173.262 174.600 -0.169 0.000 0.612 275 S CA 0.279 58.450 58.200 -0.048 0.000 1.473 275 S CB -1.325 61.934 63.200 0.098 0.000 0.990 275 S HN 1.208 nan 8.310 nan 0.000 0.936 276 A N 4.198 126.776 122.820 -0.403 0.000 2.539 276 A HA 0.956 5.279 4.320 0.005 0.000 0.296 276 A C -0.066 177.009 177.584 -0.849 0.000 1.073 276 A CA 0.031 51.761 52.037 -0.512 0.000 0.700 276 A CB 1.809 20.539 19.000 -0.451 0.000 1.296 276 A HN 1.758 nan 8.150 nan 0.000 0.405 277 T N -1.435 112.858 114.554 -0.436 0.000 2.887 277 T HA 0.585 4.937 4.350 0.005 0.000 0.288 277 T C -0.735 174.016 174.700 0.085 0.000 1.021 277 T CA -0.452 61.522 62.100 -0.210 0.000 1.000 277 T CB 1.208 70.051 68.868 -0.042 0.000 1.034 277 T HN 0.739 nan 8.240 nan 0.000 0.467 278 Y N 1.837 122.284 120.300 0.245 0.000 2.359 278 Y HA 0.352 4.905 4.550 0.004 0.000 0.334 278 Y C 0.112 176.141 175.900 0.215 0.000 1.058 278 Y CA -0.465 57.828 58.100 0.321 0.000 1.244 278 Y CB 0.692 39.361 38.460 0.349 0.000 1.187 278 Y HN 0.765 nan 8.280 nan 0.000 0.510 279 D N 5.379 125.622 120.400 -0.262 0.000 2.393 279 D HA 0.070 4.713 4.640 0.005 0.000 0.232 279 D C 0.292 176.489 176.300 -0.173 0.000 1.192 279 D CA 0.140 54.054 54.000 -0.143 0.000 0.882 279 D CB 0.661 41.398 40.800 -0.105 0.000 1.038 279 D HN 0.760 nan 8.370 nan 0.000 0.499 280 E N 1.240 121.500 120.200 0.100 0.000 2.482 280 E HA -0.072 4.281 4.350 0.005 0.000 0.196 280 E C 1.249 177.910 176.600 0.100 0.000 1.047 280 E CA 0.599 57.122 56.400 0.205 0.000 0.869 280 E CB 0.230 30.072 29.700 0.237 0.000 0.836 280 E HN 0.531 nan 8.360 nan 0.000 0.520 281 T N -2.357 112.224 114.554 0.045 0.000 3.122 281 T HA 0.150 4.503 4.350 0.005 0.000 0.250 281 T C 0.584 175.289 174.700 0.008 0.000 1.067 281 T CA -0.397 61.721 62.100 0.031 0.000 0.966 281 T CB 0.379 69.262 68.868 0.025 0.000 1.002 281 T HN -0.217 nan 8.240 nan 0.000 0.542 282 S N 0.956 116.647 115.700 -0.015 0.000 2.456 282 S HA 0.491 4.964 4.470 0.005 0.000 0.316 282 S C 0.741 175.331 174.600 -0.018 0.000 1.089 282 S CA -0.635 57.547 58.200 -0.029 0.000 1.101 282 S CB 1.639 64.802 63.200 -0.061 0.000 0.995 282 S HN 0.464 nan 8.310 nan 0.000 0.468 283 T N 2.013 116.564 114.554 -0.005 0.000 2.971 283 T HA 0.081 4.434 4.350 0.005 0.000 0.252 283 T C 1.134 175.832 174.700 -0.004 0.000 1.022 283 T CA 0.171 62.275 62.100 0.007 0.000 0.980 283 T CB 0.050 68.928 68.868 0.017 0.000 1.044 283 T HN 0.376 nan 8.240 nan 0.000 0.501 284 Q N 1.364 121.154 119.800 -0.016 0.000 2.163 284 Q HA 0.176 4.519 4.340 0.005 0.000 0.198 284 Q C 0.645 176.626 176.000 -0.032 0.000 0.954 284 Q CA 0.892 56.683 55.803 -0.021 0.000 0.851 284 Q CB 0.199 28.922 28.738 -0.024 0.000 0.928 284 Q HN 0.707 nan 8.270 nan 0.000 0.459 285 K N -0.607 119.764 120.400 -0.049 0.000 2.512 285 K HA 0.433 4.756 4.320 0.005 0.000 0.263 285 K C -0.707 175.837 176.600 -0.094 0.000 0.966 285 K CA -0.964 55.295 56.287 -0.047 0.000 0.851 285 K CB 1.610 34.074 32.500 -0.060 0.000 1.395 285 K HN -0.397 nan 8.250 nan 0.000 0.440 286 K N 1.665 121.948 120.400 -0.195 0.000 2.349 286 K HA 0.247 4.570 4.320 0.005 0.000 0.289 286 K C -0.606 175.822 176.600 -0.287 0.000 1.064 286 K CA -0.408 55.561 56.287 -0.530 0.000 0.947 286 K CB 1.102 32.811 32.500 -1.317 0.000 1.007 286 K HN 0.444 nan 8.250 nan 0.000 0.478 287 V N 4.926 124.786 119.914 -0.089 0.000 2.680 287 V HA 0.425 4.548 4.120 0.005 0.000 0.309 287 V C 0.062 176.305 176.094 0.249 0.000 1.052 287 V CA -0.979 61.407 62.300 0.142 0.000 0.908 287 V CB 2.064 33.912 31.823 0.041 0.000 1.001 287 V HN 0.555 nan 8.190 nan 0.000 0.431 288 L N 4.907 126.303 121.223 0.287 0.000 2.317 288 L HA 0.609 4.952 4.340 0.005 0.000 0.281 288 L C -0.695 176.211 176.870 0.059 0.000 1.024 288 L CA -0.490 54.445 54.840 0.158 0.000 0.810 288 L CB 1.833 43.956 42.059 0.107 0.000 1.240 288 L HN 0.478 nan 8.230 nan 0.000 0.427 289 I N 4.103 124.674 120.570 0.001 0.000 2.354 289 I HA 0.374 4.546 4.170 0.005 0.000 0.292 289 I C -0.324 175.751 176.117 -0.070 0.000 0.989 289 I CA -0.391 60.896 61.300 -0.022 0.000 1.188 289 I CB 1.527 39.517 38.000 -0.017 0.000 1.342 289 I HN 0.357 nan 8.210 nan 0.000 0.457 290 L N 4.813 126.002 121.223 -0.057 0.000 2.334 290 L HA 0.586 4.929 4.340 0.005 0.000 0.270 290 L C 0.050 176.840 176.870 -0.135 0.000 1.018 290 L CA -0.461 54.326 54.840 -0.088 0.000 0.811 290 L CB 1.837 43.886 42.059 -0.017 0.000 1.271 290 L HN 0.546 nan 8.230 nan 0.000 0.443 291 S N -2.224 113.316 115.700 -0.267 0.000 2.739 291 S HA 0.230 4.703 4.470 0.005 0.000 0.306 291 S C 0.708 175.094 174.600 -0.358 0.000 1.115 291 S CA -0.570 57.381 58.200 -0.414 0.000 0.985 291 S CB 1.318 63.936 63.200 -0.971 0.000 1.133 291 S HN 0.825 nan 8.310 nan 0.000 0.541 292 H N -0.132 118.709 119.070 -0.382 0.000 2.489 292 H HA -0.113 4.446 4.556 0.005 0.000 0.293 292 H C 1.302 176.631 175.328 0.002 0.000 1.066 292 H CA 1.917 57.877 56.048 -0.147 0.000 1.305 292 H CB -0.509 29.247 29.762 -0.011 0.000 1.386 292 H HN 0.738 nan 8.280 nan 0.000 0.551 293 Y N -0.229 119.816 120.300 -0.425 0.000 2.482 293 Y HA 0.434 4.987 4.550 0.005 0.000 0.270 293 Y C 0.477 176.340 175.900 -0.061 0.000 1.152 293 Y CA -0.894 57.014 58.100 -0.319 0.000 1.292 293 Y CB -0.370 37.526 38.460 -0.940 0.000 1.070 293 Y HN 0.008 nan 8.280 nan 0.000 0.528 294 S N 1.957 117.610 115.700 -0.079 0.000 2.584 294 S HA 0.173 4.646 4.470 0.005 0.000 0.270 294 S C -0.274 174.463 174.600 0.230 0.000 1.346 294 S CA -0.375 57.859 58.200 0.055 0.000 1.018 294 S CB 0.472 63.643 63.200 -0.050 0.000 0.899 294 S HN 0.572 nan 8.310 nan 0.000 0.542 295 N N 0.317 119.115 118.700 0.163 0.000 2.308 295 N HA 0.439 5.182 4.740 0.005 0.000 0.283 295 N C -1.772 173.657 175.510 -0.135 0.000 1.105 295 N CA -0.494 52.674 53.050 0.196 0.000 0.840 295 N CB 0.949 39.621 38.487 0.309 0.000 1.633 295 N HN 0.505 nan 8.380 nan 0.000 0.476 296 I N 3.370 123.669 120.570 -0.452 0.000 2.382 296 I HA 0.455 4.627 4.170 0.005 0.000 0.286 296 I C -0.522 175.565 176.117 -0.049 0.000 1.002 296 I CA -0.570 60.461 61.300 -0.450 0.000 1.135 296 I CB 1.024 38.466 38.000 -0.930 0.000 1.288 296 I HN 0.392 nan 8.210 nan 0.000 0.448 297 I N 5.362 125.916 120.570 -0.028 0.000 2.509 297 I HA 0.380 4.553 4.170 0.005 0.000 0.293 297 I C 0.550 176.621 176.117 -0.076 0.000 1.020 297 I CA -0.441 60.872 61.300 0.022 0.000 1.088 297 I CB 2.312 40.257 38.000 -0.092 0.000 1.267 297 I HN 0.545 nan 8.210 nan 0.000 0.430 298 T N 1.195 115.758 114.554 0.014 0.000 2.884 298 T HA 0.641 4.993 4.350 0.005 0.000 0.277 298 T C -0.483 174.139 174.700 -0.130 0.000 0.976 298 T CA -0.487 61.644 62.100 0.052 0.000 0.956 298 T CB 0.997 69.955 68.868 0.149 0.000 1.113 298 T HN 0.150 nan 8.240 nan 0.000 0.554 299 F N 0.027 120.000 119.950 0.037 0.000 2.538 299 F HA 0.559 5.089 4.527 0.004 0.000 0.325 299 F C 0.587 176.361 175.800 -0.044 0.000 1.066 299 F CA -1.840 56.176 58.000 0.027 0.000 0.946 299 F CB 1.171 40.219 39.000 0.081 0.000 1.199 299 F HN 0.641 nan 8.300 nan 0.000 0.473 300 I N -0.062 120.515 120.570 0.012 0.000 2.779 300 I HA 0.131 4.304 4.170 0.005 0.000 0.285 300 I C 1.458 177.573 176.117 -0.003 0.000 1.134 300 I CA -0.645 60.608 61.300 -0.080 0.000 1.398 300 I CB 0.544 38.384 38.000 -0.267 0.000 1.404 300 I HN 0.617 nan 8.210 nan 0.000 0.587 301 Q N 3.173 122.967 119.800 -0.009 0.000 2.182 301 Q HA -0.263 4.080 4.340 0.005 0.000 0.213 301 Q C 2.069 178.075 176.000 0.011 0.000 1.000 301 Q CA 2.978 58.783 55.803 0.004 0.000 0.889 301 Q CB -0.265 28.470 28.738 -0.005 0.000 0.932 301 Q HN 0.999 nan 8.270 nan 0.000 0.415 302 S N -0.705 114.999 115.700 0.007 0.000 2.555 302 S HA 0.011 4.484 4.470 0.005 0.000 0.230 302 S C 1.021 175.668 174.600 0.079 0.000 0.978 302 S CA 0.466 58.683 58.200 0.030 0.000 0.934 302 S CB -0.142 63.076 63.200 0.029 0.000 0.766 302 S HN 0.254 nan 8.310 nan 0.000 0.533 303 S N 1.869 117.645 115.700 0.127 0.000 2.571 303 S HA 0.073 4.546 4.470 0.005 0.000 0.297 303 S C 1.102 175.715 174.600 0.020 0.000 1.234 303 S CA -0.337 57.982 58.200 0.198 0.000 1.120 303 S CB 0.464 63.829 63.200 0.275 0.000 0.923 303 S HN 0.620 nan 8.310 nan 0.000 0.504 304 K N 4.028 124.420 120.400 -0.013 0.000 2.097 304 K HA -0.096 4.227 4.320 0.005 0.000 0.205 304 K C 1.901 178.426 176.600 -0.124 0.000 1.050 304 K CA 1.236 57.479 56.287 -0.073 0.000 0.938 304 K CB -0.224 32.222 32.500 -0.089 0.000 0.718 304 K HN 0.654 nan 8.250 nan 0.000 0.442 305 L N 1.154 122.274 121.223 -0.172 0.000 2.017 305 L HA -0.094 4.249 4.340 0.005 0.000 0.208 305 L C 2.188 178.840 176.870 -0.363 0.000 1.073 305 L CA 2.223 56.907 54.840 -0.260 0.000 0.745 305 L CB -0.833 41.033 42.059 -0.321 0.000 0.894 305 L HN 0.206 nan 8.230 nan 0.000 0.432 306 A N -0.690 121.839 122.820 -0.486 0.000 1.930 306 A HA -0.224 4.099 4.320 0.005 0.000 0.217 306 A C 2.452 179.908 177.584 -0.213 0.000 1.175 306 A CA 1.800 53.568 52.037 -0.448 0.000 0.627 306 A CB -0.593 18.161 19.000 -0.409 0.000 0.815 306 A HN 0.536 nan 8.150 nan 0.000 0.443 307 K N -0.097 120.214 120.400 -0.149 0.000 2.026 307 K HA -0.176 4.147 4.320 0.005 0.000 0.208 307 K C 1.893 178.437 176.600 -0.093 0.000 1.048 307 K CA 1.701 57.931 56.287 -0.094 0.000 0.929 307 K CB -0.199 32.260 32.500 -0.068 0.000 0.713 307 K HN 0.588 nan 8.250 nan 0.000 0.439 308 E N 0.192 120.330 120.200 -0.103 0.000 2.110 308 E HA -0.182 4.171 4.350 0.005 0.000 0.193 308 E C 1.900 178.446 176.600 -0.088 0.000 0.988 308 E CA 0.854 57.202 56.400 -0.086 0.000 0.804 308 E CB 0.051 29.702 29.700 -0.082 0.000 0.745 308 E HN 0.154 nan 8.360 nan 0.000 0.458 309 L N 0.582 121.733 121.223 -0.119 0.000 2.156 309 L HA -0.072 4.271 4.340 0.005 0.000 0.208 309 L C 2.092 178.908 176.870 -0.091 0.000 1.095 309 L CA 1.414 56.187 54.840 -0.112 0.000 0.770 309 L CB -0.319 41.645 42.059 -0.160 0.000 0.914 309 L HN -0.022 nan 8.230 nan 0.000 0.439 310 R N -1.179 119.266 120.500 -0.092 0.000 2.189 310 R HA -0.062 4.281 4.340 0.005 0.000 0.223 310 R C 1.990 178.256 176.300 -0.057 0.000 1.092 310 R CA 1.063 57.121 56.100 -0.069 0.000 0.989 310 R CB -0.170 30.093 30.300 -0.062 0.000 0.876 310 R HN 0.377 nan 8.270 nan 0.000 0.457 311 A N 0.890 123.675 122.820 -0.058 0.000 1.909 311 A HA -0.044 4.279 4.320 0.005 0.000 0.209 311 A C 1.967 179.523 177.584 -0.046 0.000 1.247 311 A CA 0.485 52.493 52.037 -0.048 0.000 0.660 311 A CB -0.159 18.813 19.000 -0.046 0.000 0.910 311 A HN 0.106 nan 8.150 nan 0.000 0.465 312 K N 0.050 120.421 120.400 -0.048 0.000 2.032 312 K HA -0.058 4.265 4.320 0.005 0.000 0.209 312 K C 0.035 176.610 176.600 -0.041 0.000 1.048 312 K CA 0.982 57.244 56.287 -0.041 0.000 0.927 312 K CB -0.317 32.159 32.500 -0.040 0.000 0.712 312 K HN 0.473 nan 8.250 nan 0.000 0.441 313 I N 3.033 123.576 120.570 -0.045 0.000 2.452 313 I HA 0.006 4.178 4.170 0.005 0.000 0.287 313 I C 0.095 176.183 176.117 -0.048 0.000 1.079 313 I CA -0.242 61.032 61.300 -0.043 0.000 1.387 313 I CB 1.033 39.006 38.000 -0.045 0.000 1.404 313 I HN 0.255 nan 8.210 nan 0.000 0.522 314 Q N 4.397 124.166 119.800 -0.051 0.000 2.301 314 Q HA 0.276 4.619 4.340 0.005 0.000 0.267 314 Q C -0.642 175.309 176.000 -0.080 0.000 1.035 314 Q CA -0.860 54.905 55.803 -0.064 0.000 0.856 314 Q CB 1.791 30.490 28.738 -0.065 0.000 1.337 314 Q HN 0.453 nan 8.270 nan 0.000 0.450 315 D N 1.306 121.644 120.400 -0.104 0.000 2.515 315 D HA -0.081 4.562 4.640 0.005 0.000 0.232 315 D C -0.805 175.382 176.300 -0.188 0.000 1.157 315 D CA 0.895 54.810 54.000 -0.142 0.000 0.871 315 D CB 0.623 41.309 40.800 -0.190 0.000 1.200 315 D HN 0.315 nan 8.370 nan 0.000 0.466 316 D N 1.431 121.748 120.400 -0.138 0.000 2.646 316 D HA 0.175 4.817 4.640 0.005 0.000 0.245 316 D C -0.346 175.981 176.300 0.045 0.000 1.099 316 D CA -0.403 53.545 54.000 -0.086 0.000 0.849 316 D CB 0.690 41.473 40.800 -0.028 0.000 1.448 316 D HN 0.550 nan 8.370 nan 0.000 0.489 317 H N 0.761 119.824 119.070 -0.011 0.000 3.078 317 H HA 0.046 4.605 4.556 0.005 0.000 0.263 317 H C 1.855 177.183 175.328 -0.000 0.000 1.177 317 H CA 0.109 56.153 56.048 -0.006 0.000 1.128 317 H CB 1.018 30.773 29.762 -0.011 0.000 1.623 317 H HN 0.369 nan 8.280 nan 0.000 0.592 318 S N 0.308 116.074 115.700 0.109 0.000 2.374 318 S HA -0.172 4.301 4.470 0.005 0.000 0.227 318 S C 2.086 176.721 174.600 0.058 0.000 1.037 318 S CA 1.367 59.605 58.200 0.064 0.000 1.024 318 S CB -0.823 62.399 63.200 0.038 0.000 0.861 318 S HN 0.131 nan 8.310 nan 0.000 0.456 319 V N 2.203 122.159 119.914 0.070 0.000 2.295 319 V HA -0.169 3.954 4.120 0.005 0.000 0.246 319 V C 2.853 178.975 176.094 0.047 0.000 1.049 319 V CA 2.364 64.706 62.300 0.071 0.000 1.024 319 V CB -1.061 30.840 31.823 0.130 0.000 0.648 319 V HN 0.442 nan 8.190 nan 0.000 0.447 320 E N 0.035 120.259 120.200 0.040 0.000 2.031 320 E HA -0.171 4.182 4.350 0.005 0.000 0.193 320 E C 2.165 178.757 176.600 -0.014 0.000 0.994 320 E CA 1.445 57.837 56.400 -0.015 0.000 0.800 320 E CB -0.635 29.013 29.700 -0.087 0.000 0.752 320 E HN 0.385 nan 8.360 nan 0.000 0.447 321 V N 1.050 120.969 119.914 0.009 0.000 2.282 321 V HA -0.321 3.802 4.120 0.005 0.000 0.249 321 V C 2.212 178.311 176.094 0.008 0.000 1.057 321 V CA 1.996 64.302 62.300 0.010 0.000 1.032 321 V CB -0.896 30.945 31.823 0.030 0.000 0.645 321 V HN 0.384 nan 8.190 nan 0.000 0.447 322 A N 0.314 123.142 122.820 0.014 0.000 2.015 322 A HA -0.180 4.143 4.320 0.005 0.000 0.219 322 A C 2.525 180.112 177.584 0.005 0.000 1.163 322 A CA 2.020 54.063 52.037 0.011 0.000 0.646 322 A CB -0.600 18.409 19.000 0.015 0.000 0.806 322 A HN 0.698 nan 8.150 nan 0.000 0.448 323 S N 0.149 115.848 115.700 -0.001 0.000 2.387 323 S HA -0.024 4.448 4.470 0.005 0.000 0.226 323 S C 1.670 176.264 174.600 -0.010 0.000 1.026 323 S CA 1.089 59.283 58.200 -0.010 0.000 0.972 323 S CB -0.720 62.465 63.200 -0.025 0.000 0.814 323 S HN 0.464 nan 8.310 nan 0.000 0.477 324 L N 0.494 121.710 121.223 -0.012 0.000 2.642 324 L HA 0.077 4.420 4.340 0.005 0.000 0.236 324 L C 2.230 179.100 176.870 -0.000 0.000 1.169 324 L CA 0.847 55.681 54.840 -0.010 0.000 0.851 324 L CB -0.487 41.565 42.059 -0.012 0.000 0.968 324 L HN 0.366 nan 8.230 nan 0.000 0.453 325 K N -0.730 119.671 120.400 0.002 0.000 2.352 325 K HA 0.097 4.420 4.320 0.005 0.000 0.194 325 K C 0.443 177.047 176.600 0.007 0.000 1.038 325 K CA 0.016 56.306 56.287 0.005 0.000 1.023 325 K CB 0.517 33.021 32.500 0.006 0.000 0.840 325 K HN 0.027 nan 8.250 nan 0.000 0.519 326 K N 1.265 121.670 120.400 0.007 0.000 2.143 326 K HA 0.153 4.476 4.320 0.005 0.000 0.272 326 K C 0.338 176.948 176.600 0.016 0.000 1.001 326 K CA 0.006 56.300 56.287 0.011 0.000 0.915 326 K CB 0.980 33.487 32.500 0.012 0.000 1.047 326 K HN 0.101 nan 8.250 nan 0.000 0.458 327 N N -0.154 118.556 118.700 0.017 0.000 2.244 327 N HA -0.090 4.652 4.740 0.005 0.000 0.183 327 N C -0.186 175.346 175.510 0.035 0.000 1.016 327 N CA 0.546 53.608 53.050 0.021 0.000 0.866 327 N CB 0.311 38.806 38.487 0.013 0.000 0.980 327 N HN 0.086 nan 8.380 nan 0.000 0.430 328 V N 0.543 120.481 119.914 0.040 0.000 2.462 328 V HA 0.157 4.280 4.120 0.005 0.000 0.288 328 V C -0.754 175.390 176.094 0.083 0.000 1.020 328 V CA -0.747 61.598 62.300 0.074 0.000 0.857 328 V CB 1.575 33.420 31.823 0.036 0.000 1.013 328 V HN -0.050 nan 8.190 nan 0.000 0.431 329 S N 4.908 120.674 115.700 0.109 0.000 2.422 329 S HA 0.495 4.968 4.470 0.005 0.000 0.298 329 S C 0.783 175.439 174.600 0.094 0.000 1.118 329 S CA -0.596 57.637 58.200 0.056 0.000 1.083 329 S CB 0.749 63.944 63.200 -0.009 0.000 0.971 329 S HN 0.668 nan 8.310 nan 0.000 0.478 330 L N 3.988 125.247 121.223 0.060 0.000 2.610 330 L HA 0.135 4.477 4.340 0.005 0.000 0.232 330 L C -0.151 176.681 176.870 -0.064 0.000 1.149 330 L CA 0.234 55.113 54.840 0.066 0.000 0.872 330 L CB -0.505 41.570 42.059 0.026 0.000 0.992 330 L HN 0.571 nan 8.230 nan 0.000 0.447 331 N N 0.335 118.962 118.700 -0.121 0.000 2.400 331 N HA 0.450 5.193 4.740 0.005 0.000 0.288 331 N C -0.121 175.256 175.510 -0.221 0.000 1.024 331 N CA -0.262 52.644 53.050 -0.241 0.000 0.894 331 N CB 1.522 39.894 38.487 -0.191 0.000 1.173 331 N HN -0.003 nan 8.380 nan 0.000 0.487 332 A N 1.528 124.175 122.820 -0.288 0.000 2.425 332 A HA 0.443 4.766 4.320 0.005 0.000 0.249 332 A C -0.344 177.123 177.584 -0.193 0.000 1.084 332 A CA -0.206 51.661 52.037 -0.283 0.000 0.781 332 A CB 0.290 18.861 19.000 -0.715 0.000 1.019 332 A HN 0.481 nan 8.150 nan 0.000 0.490 333 V N 3.369 123.218 119.914 -0.110 0.000 2.482 333 V HA 0.263 4.386 4.120 0.005 0.000 0.295 333 V C -0.359 175.697 176.094 -0.063 0.000 1.026 333 V CA -0.553 61.687 62.300 -0.102 0.000 0.856 333 V CB 1.654 33.414 31.823 -0.106 0.000 1.001 333 V HN 0.621 nan 8.190 nan 0.000 0.424 334 V N 6.724 126.575 119.914 -0.105 0.000 2.339 334 V HA 0.208 4.331 4.120 0.005 0.000 0.261 334 V C 1.173 177.187 176.094 -0.134 0.000 1.058 334 V CA -0.025 62.221 62.300 -0.090 0.000 0.897 334 V CB 0.801 32.565 31.823 -0.098 0.000 1.052 334 V HN 0.785 nan 8.190 nan 0.000 0.480 335 L N 3.512 124.666 121.223 -0.115 0.000 2.291 335 L HA 0.013 4.356 4.340 0.005 0.000 0.214 335 L C 1.492 178.264 176.870 -0.164 0.000 1.120 335 L CA 0.948 55.708 54.840 -0.135 0.000 0.799 335 L CB -0.437 41.559 42.059 -0.105 0.000 0.925 335 L HN 0.848 nan 8.230 nan 0.000 0.446 336 T N -2.806 111.654 114.554 -0.156 0.000 2.870 336 T HA 0.530 4.883 4.350 0.005 0.000 0.277 336 T C -0.541 174.092 174.700 -0.111 0.000 1.000 336 T CA -0.769 61.225 62.100 -0.176 0.000 0.982 336 T CB 2.488 71.245 68.868 -0.186 0.000 1.249 336 T HN 0.134 nan 8.240 nan 0.000 0.589 337 E N 0.366 120.511 120.200 -0.091 0.000 2.307 337 E HA 0.486 4.838 4.350 0.005 0.000 0.280 337 E C -0.895 175.698 176.600 -0.011 0.000 0.900 337 E CA -1.106 55.271 56.400 -0.038 0.000 0.790 337 E CB 2.160 31.846 29.700 -0.024 0.000 1.261 337 E HN 0.797 nan 8.360 nan 0.000 0.405 338 V N 1.207 121.133 119.914 0.020 0.000 2.834 338 V HA 0.339 4.462 4.120 0.005 0.000 0.301 338 V C 0.545 176.685 176.094 0.077 0.000 1.066 338 V CA -0.643 61.698 62.300 0.068 0.000 1.052 338 V CB 1.397 33.274 31.823 0.090 0.000 1.021 338 V HN 0.851 nan 8.190 nan 0.000 0.480 339 D N 2.441 122.909 120.400 0.115 0.000 2.488 339 D HA -0.029 4.614 4.640 0.005 0.000 0.238 339 D C 1.343 177.649 176.300 0.011 0.000 1.138 339 D CA 0.436 54.466 54.000 0.050 0.000 0.873 339 D CB 1.192 42.012 40.800 0.033 0.000 1.183 339 D HN 0.860 nan 8.370 nan 0.000 0.458 340 K N 3.450 123.839 120.400 -0.017 0.000 2.173 340 K HA -0.257 4.066 4.320 0.005 0.000 0.207 340 K C 1.698 178.263 176.600 -0.059 0.000 1.046 340 K CA 1.674 57.946 56.287 -0.026 0.000 0.929 340 K CB -0.300 32.183 32.500 -0.028 0.000 0.720 340 K HN 0.412 nan 8.250 nan 0.000 0.453 341 K N 0.033 120.347 120.400 -0.144 0.000 2.515 341 K HA -0.106 4.217 4.320 0.005 0.000 0.196 341 K C 0.862 177.308 176.600 -0.257 0.000 1.038 341 K CA 1.171 57.324 56.287 -0.223 0.000 0.967 341 K CB -0.042 32.266 32.500 -0.319 0.000 0.780 341 K HN 0.334 nan 8.250 nan 0.000 0.483 342 H N -0.401 118.669 119.070 -0.000 0.000 2.827 342 H HA 0.304 4.863 4.556 0.005 0.000 0.269 342 H C 1.760 177.087 175.328 -0.002 0.000 1.031 342 H CA 0.386 56.434 56.048 -0.000 0.000 1.202 342 H CB 0.695 30.462 29.762 0.008 0.000 1.511 342 H HN 0.342 nan 8.280 nan 0.000 0.517 343 A N 1.163 124.036 122.820 0.089 0.000 2.084 343 A HA -0.094 4.228 4.320 0.005 0.000 0.221 343 A C 2.234 179.841 177.584 0.038 0.000 1.161 343 A CA 1.619 53.686 52.037 0.051 0.000 0.653 343 A CB -0.387 18.627 19.000 0.023 0.000 0.802 343 A HN 0.339 nan 8.150 nan 0.000 0.457 344 A N -1.647 121.197 122.820 0.039 0.000 2.379 344 A HA 0.513 4.836 4.320 0.005 0.000 0.236 344 A C 0.437 178.040 177.584 0.033 0.000 1.272 344 A CA -0.220 51.833 52.037 0.026 0.000 0.886 344 A CB -0.261 18.747 19.000 0.014 0.000 0.962 344 A HN 0.437 nan 8.150 nan 0.000 0.504 345 L N 2.020 123.274 121.223 0.052 0.000 2.276 345 L HA 0.469 4.812 4.340 0.005 0.000 0.286 345 L C -2.161 174.724 176.870 0.024 0.000 1.061 345 L CA -2.104 52.760 54.840 0.040 0.000 0.807 345 L CB 0.870 42.963 42.059 0.057 0.000 1.177 345 L HN 0.053 nan 8.230 nan 0.000 0.429 346 P HA 0.197 nan 4.420 nan 0.000 0.274 346 P C -1.008 176.307 177.300 0.026 0.000 1.237 346 P CA -0.417 62.694 63.100 0.018 0.000 0.793 346 P CB 0.871 32.581 31.700 0.016 0.000 0.977 347 S N 0.032 115.746 115.700 0.023 0.000 2.617 347 S HA 0.486 4.958 4.470 0.005 0.000 0.283 347 S C -0.042 174.579 174.600 0.035 0.000 1.189 347 S CA -0.322 57.894 58.200 0.027 0.000 1.036 347 S CB 0.728 63.934 63.200 0.009 0.000 1.014 347 S HN 0.447 nan 8.310 nan 0.000 0.522 348 T N 2.186 116.763 114.554 0.038 0.000 2.812 348 T HA 0.433 4.786 4.350 0.005 0.000 0.282 348 T C 0.283 174.963 174.700 -0.034 0.000 0.990 348 T CA -0.742 61.367 62.100 0.015 0.000 0.960 348 T CB 1.273 70.166 68.868 0.042 0.000 0.948 348 T HN 0.696 nan 8.240 nan 0.000 0.438 349 S N 3.183 118.866 115.700 -0.029 0.000 2.589 349 S HA 0.239 4.711 4.470 0.005 0.000 0.265 349 S C 1.519 176.076 174.600 -0.072 0.000 1.342 349 S CA -0.732 57.451 58.200 -0.029 0.000 1.005 349 S CB 0.225 63.416 63.200 -0.016 0.000 0.909 349 S HN 0.626 nan 8.310 nan 0.000 0.555 350 L N 0.418 121.599 121.223 -0.070 0.000 2.141 350 L HA -0.116 4.226 4.340 0.005 0.000 0.209 350 L C 2.988 179.790 176.870 -0.113 0.000 1.094 350 L CA 1.435 56.200 54.840 -0.125 0.000 0.763 350 L CB -0.710 41.178 42.059 -0.285 0.000 0.908 350 L HN 0.793 nan 8.230 nan 0.000 0.437 351 Q N 0.522 120.301 119.800 -0.035 0.000 2.096 351 Q HA -0.230 4.113 4.340 0.005 0.000 0.204 351 Q C 1.712 177.817 176.000 0.175 0.000 0.982 351 Q CA 1.947 57.818 55.803 0.114 0.000 0.850 351 Q CB -0.005 28.783 28.738 0.084 0.000 0.901 351 Q HN 0.373 nan 8.270 nan 0.000 0.422 352 D N -0.860 119.610 120.400 0.117 0.000 2.149 352 D HA -0.090 4.552 4.640 0.005 0.000 0.201 352 D C 1.621 177.876 176.300 -0.075 0.000 0.972 352 D CA 0.499 54.582 54.000 0.139 0.000 0.835 352 D CB -0.063 40.764 40.800 0.045 0.000 0.966 352 D HN 0.199 nan 8.370 nan 0.000 0.476 353 L N -0.481 120.579 121.223 -0.271 0.000 2.083 353 L HA -0.085 4.257 4.340 0.005 0.000 0.209 353 L C 1.739 178.235 176.870 -0.623 0.000 1.083 353 L CA 1.536 56.001 54.840 -0.627 0.000 0.752 353 L CB -0.578 40.894 42.059 -0.978 0.000 0.899 353 L HN 0.015 nan 8.230 nan 0.000 0.433 354 F N -3.083 116.672 119.950 -0.325 0.000 2.717 354 F HA 0.120 4.649 4.527 0.005 0.000 0.297 354 F C 2.115 177.626 175.800 -0.481 0.000 1.113 354 F CA 0.181 57.969 58.000 -0.354 0.000 1.319 354 F CB 0.044 38.763 39.000 -0.467 0.000 1.097 354 F HN 0.144 nan 8.300 nan 0.000 0.595 355 H N -2.313 116.694 119.070 -0.106 0.000 2.874 355 H HA 0.267 4.826 4.556 0.005 0.000 0.264 355 H C 0.653 175.637 175.328 -0.573 0.000 1.007 355 H CA 0.595 56.446 56.048 -0.330 0.000 1.207 355 H CB 0.494 29.980 29.762 -0.461 0.000 1.487 355 H HN 0.305 nan 8.280 nan 0.000 0.505 356 H N -1.069 118.034 119.070 0.055 0.000 3.540 356 H HA 0.331 4.890 4.556 0.005 0.000 0.259 356 H C 1.725 177.039 175.328 -0.024 0.000 1.197 356 H CA 0.460 56.520 56.048 0.019 0.000 1.136 356 H CB 0.639 30.413 29.762 0.020 0.000 1.605 356 H HN 0.206 nan 8.280 nan 0.000 0.657 357 A N 0.610 123.430 122.820 -0.000 0.000 2.067 357 A HA -0.104 4.218 4.320 0.005 0.000 0.219 357 A C 1.360 178.934 177.584 -0.017 0.000 1.158 357 A CA 1.408 53.418 52.037 -0.045 0.000 0.661 357 A CB 0.029 18.941 19.000 -0.148 0.000 0.801 357 A HN 0.112 nan 8.150 nan 0.000 0.452 358 D N -1.204 119.185 120.400 -0.018 0.000 2.431 358 D HA 0.101 4.744 4.640 0.005 0.000 0.213 358 D C 1.030 177.338 176.300 0.013 0.000 1.130 358 D CA 0.971 54.961 54.000 -0.017 0.000 0.834 358 D CB 0.494 41.265 40.800 -0.047 0.000 0.985 358 D HN 0.539 nan 8.370 nan 0.000 0.504 359 S N -1.420 114.308 115.700 0.046 0.000 2.679 359 S HA 0.034 4.507 4.470 0.005 0.000 0.258 359 S C 0.321 174.960 174.600 0.066 0.000 1.068 359 S CA -0.516 57.720 58.200 0.060 0.000 1.115 359 S CB 1.220 64.472 63.200 0.086 0.000 1.078 359 S HN 0.004 nan 8.310 nan 0.000 0.603 360 D N 2.355 122.799 120.400 0.073 0.000 2.373 360 D HA 0.222 4.864 4.640 0.005 0.000 0.227 360 D C 0.851 177.180 176.300 0.048 0.000 1.091 360 D CA -0.178 53.855 54.000 0.055 0.000 0.840 360 D CB 1.384 42.219 40.800 0.059 0.000 1.060 360 D HN 0.153 nan 8.370 nan 0.000 0.502 361 K N 3.331 123.751 120.400 0.033 0.000 2.097 361 K HA -0.289 4.033 4.320 0.005 0.000 0.214 361 K C 1.097 177.720 176.600 0.038 0.000 1.052 361 K CA 1.732 58.037 56.287 0.029 0.000 0.932 361 K CB 0.261 32.773 32.500 0.019 0.000 0.716 361 K HN 0.280 nan 8.250 nan 0.000 0.455 362 E N 0.634 120.858 120.200 0.041 0.000 2.028 362 E HA -0.078 4.275 4.350 0.005 0.000 0.191 362 E C 1.950 178.607 176.600 0.095 0.000 0.988 362 E CA 1.148 57.578 56.400 0.051 0.000 0.799 362 E CB -0.165 29.560 29.700 0.043 0.000 0.755 362 E HN 0.337 nan 8.360 nan 0.000 0.447 363 L N 0.640 121.944 121.223 0.135 0.000 2.265 363 L HA -0.198 4.144 4.340 0.005 0.000 0.215 363 L C 2.248 179.267 176.870 0.250 0.000 1.117 363 L CA 1.005 55.997 54.840 0.253 0.000 0.782 363 L CB -0.325 41.832 42.059 0.164 0.000 0.914 363 L HN 0.199 nan 8.230 nan 0.000 0.441 364 Q N -0.341 119.537 119.800 0.131 0.000 2.245 364 Q HA -0.050 4.293 4.340 0.005 0.000 0.201 364 Q C 2.259 178.305 176.000 0.077 0.000 0.955 364 Q CA 1.148 57.007 55.803 0.093 0.000 0.870 364 Q CB -0.038 28.729 28.738 0.048 0.000 0.945 364 Q HN 0.540 nan 8.270 nan 0.000 0.461 365 A N 0.290 123.144 122.820 0.058 0.000 2.208 365 A HA -0.014 4.309 4.320 0.005 0.000 0.209 365 A C 0.592 178.162 177.584 -0.023 0.000 1.161 365 A CA 0.344 52.389 52.037 0.015 0.000 0.782 365 A CB 0.280 19.282 19.000 0.003 0.000 0.816 365 A HN 0.109 nan 8.150 nan 0.000 0.477 366 Q N 0.109 119.894 119.800 -0.024 0.000 2.266 366 Q HA 0.306 4.648 4.340 0.005 0.000 0.261 366 Q C -0.549 175.341 176.000 -0.182 0.000 0.985 366 Q CA -0.203 55.447 55.803 -0.256 0.000 0.873 366 Q CB 1.641 29.984 28.738 -0.658 0.000 1.306 366 Q HN 0.584 nan 8.270 nan 0.000 0.447 367 D N -1.054 119.193 120.400 -0.254 0.000 2.489 367 D HA 0.042 4.685 4.640 0.005 0.000 0.231 367 D C -0.358 175.929 176.300 -0.021 0.000 1.114 367 D CA 0.102 54.098 54.000 -0.005 0.000 0.842 367 D CB 0.704 41.499 40.800 -0.008 0.000 1.133 367 D HN 0.254 nan 8.370 nan 0.000 0.506 368 T N 0.987 115.334 114.554 -0.345 0.000 2.786 368 T HA 0.532 4.885 4.350 0.005 0.000 0.283 368 T C -0.946 173.467 174.700 -0.478 0.000 0.992 368 T CA -0.393 61.579 62.100 -0.213 0.000 0.954 368 T CB 0.894 69.674 68.868 -0.148 0.000 0.934 368 T HN -0.102 nan 8.240 nan 0.000 0.440 369 F N 0.974 120.903 119.950 -0.034 0.000 2.640 369 F HA 0.715 5.245 4.527 0.005 0.000 0.324 369 F C 0.307 176.048 175.800 -0.100 0.000 1.077 369 F CA -1.455 56.508 58.000 -0.062 0.000 0.965 369 F CB 1.769 40.729 39.000 -0.068 0.000 1.351 369 F HN 0.280 nan 8.300 nan 0.000 0.487 370 R N 0.088 120.660 120.500 0.121 0.000 2.740 370 R HA 0.783 5.125 4.340 0.005 0.000 0.282 370 R C -1.221 175.106 176.300 0.044 0.000 0.969 370 R CA -0.232 55.889 56.100 0.034 0.000 0.918 370 R CB 2.095 32.395 30.300 -0.001 0.000 1.175 370 R HN 0.852 nan 8.270 nan 0.000 0.464 371 T N 1.484 116.056 114.554 0.029 0.000 2.749 371 T HA 0.377 4.730 4.350 0.005 0.000 0.310 371 T C -1.873 172.821 174.700 -0.009 0.000 1.496 371 T CA -0.603 61.519 62.100 0.037 0.000 1.006 371 T CB 1.741 70.653 68.868 0.072 0.000 1.457 371 T HN 0.542 nan 8.240 nan 0.000 0.497 372 Q N 0.755 120.560 119.800 0.008 0.000 2.423 372 Q HA 0.880 5.223 4.340 0.005 0.000 0.278 372 Q C -1.211 174.816 176.000 0.045 0.000 1.097 372 Q CA -0.552 55.182 55.803 -0.114 0.000 0.809 372 Q CB 2.115 30.826 28.738 -0.044 0.000 1.391 372 Q HN 0.666 nan 8.270 nan 0.000 0.428 373 F N -1.831 118.196 119.950 0.129 0.000 2.978 373 F HA 0.641 5.170 4.527 0.005 0.000 0.324 373 F C -1.972 173.946 175.800 0.198 0.000 1.157 373 F CA -1.696 56.374 58.000 0.116 0.000 0.879 373 F CB 0.619 39.592 39.000 -0.045 0.000 1.364 373 F HN 0.479 nan 8.300 nan 0.000 0.465 374 Y N -0.325 120.215 120.300 0.400 0.000 2.409 374 Y HA 0.811 5.363 4.550 0.005 0.000 0.343 374 Y C -1.307 174.680 175.900 0.146 0.000 0.973 374 Y CA -2.031 56.116 58.100 0.079 0.000 1.064 374 Y CB 1.283 39.578 38.460 -0.275 0.000 1.207 374 Y HN 0.565 nan 8.280 nan 0.000 0.452 375 V N 3.816 123.838 119.914 0.181 0.000 2.455 375 V HA 0.080 4.203 4.120 0.005 0.000 0.273 375 V C 1.043 177.219 176.094 0.136 0.000 1.045 375 V CA 0.635 62.975 62.300 0.068 0.000 0.976 375 V CB 0.669 32.452 31.823 -0.068 0.000 0.993 375 V HN 1.133 nan 8.190 nan 0.000 0.475 376 T N 1.851 116.464 114.554 0.098 0.000 2.939 376 T HA 0.115 4.468 4.350 0.005 0.000 0.254 376 T C 0.598 175.365 174.700 0.113 0.000 1.041 376 T CA 0.411 62.593 62.100 0.137 0.000 1.142 376 T CB 0.330 69.252 68.868 0.089 0.000 0.874 376 T HN 0.519 nan 8.240 nan 0.000 0.452 377 K N -0.108 120.354 120.400 0.103 0.000 2.551 377 K HA 0.619 4.941 4.320 0.005 0.000 0.269 377 K C -2.061 174.647 176.600 0.179 0.000 0.949 377 K CA -1.009 55.353 56.287 0.126 0.000 0.849 377 K CB 2.092 34.641 32.500 0.082 0.000 1.411 377 K HN 0.247 nan 8.250 nan 0.000 0.432 378 I N 2.244 122.948 120.570 0.224 0.000 2.509 378 I HA 0.370 4.542 4.170 0.005 0.000 0.293 378 I C -0.672 175.540 176.117 0.158 0.000 1.020 378 I CA -0.746 60.703 61.300 0.248 0.000 1.088 378 I CB 2.142 40.380 38.000 0.398 0.000 1.267 378 I HN 0.558 nan 8.210 nan 0.000 0.430 379 E N 6.415 126.625 120.200 0.017 0.000 2.288 379 E HA 0.427 4.779 4.350 0.005 0.000 0.268 379 E C -2.581 173.977 176.600 -0.070 0.000 0.885 379 E CA -1.928 54.488 56.400 0.028 0.000 0.767 379 E CB 2.474 32.179 29.700 0.007 0.000 1.220 379 E HN 0.306 nan 8.360 nan 0.000 0.427 380 P HA 0.034 nan 4.420 nan 0.000 0.274 380 P C 0.183 177.646 177.300 0.273 0.000 1.237 380 P CA -0.087 63.105 63.100 0.153 0.000 0.793 380 P CB 1.183 32.969 31.700 0.144 0.000 0.977 381 S N 0.075 115.884 115.700 0.181 0.000 2.359 381 S HA -0.166 4.307 4.470 0.005 0.000 0.223 381 S C 0.892 175.583 174.600 0.151 0.000 1.039 381 S CA 1.399 59.702 58.200 0.170 0.000 1.042 381 S CB -0.878 62.381 63.200 0.099 0.000 0.915 381 S HN 0.659 nan 8.310 nan 0.000 0.439 382 D N 1.542 122.001 120.400 0.098 0.000 2.363 382 D HA 0.091 4.734 4.640 0.005 0.000 0.263 382 D C 0.939 177.181 176.300 -0.097 0.000 1.258 382 D CA -0.004 54.000 54.000 0.006 0.000 0.907 382 D CB 0.877 41.691 40.800 0.024 0.000 1.107 382 D HN -0.064 nan 8.370 nan 0.000 0.495 383 V N 5.101 124.798 119.914 -0.362 0.000 2.546 383 V HA -0.252 3.871 4.120 0.005 0.000 0.254 383 V C 2.274 177.953 176.094 -0.691 0.000 1.076 383 V CA 1.610 63.303 62.300 -1.012 0.000 1.087 383 V CB -0.411 30.814 31.823 -0.997 0.000 0.674 383 V HN 0.589 nan 8.190 nan 0.000 0.470 384 K N -0.329 119.833 120.400 -0.397 0.000 2.283 384 K HA -0.105 4.218 4.320 0.005 0.000 0.202 384 K C 1.784 178.166 176.600 -0.363 0.000 1.048 384 K CA 0.783 56.800 56.287 -0.451 0.000 0.948 384 K CB -0.047 32.167 32.500 -0.476 0.000 0.742 384 K HN 0.397 nan 8.250 nan 0.000 0.458 385 E N -0.555 119.597 120.200 -0.079 0.000 2.489 385 E HA -0.067 4.286 4.350 0.005 0.000 0.193 385 E C 1.101 177.809 176.600 0.181 0.000 1.057 385 E CA 0.205 56.654 56.400 0.082 0.000 0.866 385 E CB 0.074 29.852 29.700 0.129 0.000 0.916 385 E HN 0.340 nan 8.360 nan 0.000 0.500 386 W N 0.959 122.212 121.300 -0.078 0.000 2.350 386 W HA -0.095 4.567 4.660 0.005 0.000 0.289 386 W C 0.790 177.265 176.519 -0.073 0.000 1.215 386 W CA 0.536 57.869 57.345 -0.021 0.000 1.236 386 W CB -0.378 29.113 29.460 0.051 0.000 1.130 386 W HN -0.263 nan 8.180 nan 0.000 0.541 387 V N 2.351 122.274 119.914 0.014 0.000 2.370 387 V HA 0.280 4.402 4.120 0.005 0.000 0.283 387 V C 0.244 176.281 176.094 -0.094 0.000 1.023 387 V CA -1.020 61.156 62.300 -0.206 0.000 0.857 387 V CB 1.316 32.904 31.823 -0.392 0.000 0.985 387 V HN -0.260 nan 8.190 nan 0.000 0.443 388 K N 2.574 122.922 120.400 -0.088 0.000 2.350 388 K HA 0.607 4.930 4.320 0.005 0.000 0.241 388 K C 0.155 176.752 176.600 -0.006 0.000 0.994 388 K CA -0.593 55.678 56.287 -0.026 0.000 0.839 388 K CB 2.414 34.896 32.500 -0.030 0.000 1.244 388 K HN 0.780 nan 8.250 nan 0.000 0.443 389 G N 0.717 109.532 108.800 0.027 0.000 2.390 389 G HA2 0.253 4.216 3.960 0.005 0.000 0.270 389 G HA3 0.253 4.216 3.960 0.005 0.000 0.270 389 G C -1.331 173.637 174.900 0.113 0.000 1.211 389 G CA 0.062 45.190 45.100 0.048 0.000 0.842 389 G HN 0.419 nan 8.290 nan 0.000 0.519 390 Y N 1.896 122.176 120.300 -0.033 0.000 2.341 390 Y HA 0.388 4.941 4.550 0.005 0.000 0.338 390 Y C -0.669 175.223 175.900 -0.014 0.000 0.965 390 Y CA -1.653 56.431 58.100 -0.026 0.000 1.108 390 Y CB 2.110 40.555 38.460 -0.026 0.000 1.180 390 Y HN 0.468 nan 8.280 nan 0.000 0.458 391 D N 5.987 126.066 120.400 -0.536 0.000 2.412 391 D HA 0.209 4.851 4.640 0.005 0.000 0.224 391 D C 0.326 176.147 176.300 -0.797 0.000 1.093 391 D CA -0.253 53.464 54.000 -0.473 0.000 0.850 391 D CB 0.888 41.539 40.800 -0.249 0.000 1.046 391 D HN 0.820 nan 8.370 nan 0.000 0.507 392 R N 2.370 122.494 120.500 -0.626 0.000 2.316 392 R HA -0.009 4.333 4.340 0.005 0.000 0.202 392 R C 1.609 177.781 176.300 -0.213 0.000 1.029 392 R CA 0.719 56.551 56.100 -0.446 0.000 1.018 392 R CB 0.541 30.759 30.300 -0.136 0.000 0.888 392 R HN 0.324 nan 8.270 nan 0.000 0.471 393 K N -0.422 119.866 120.400 -0.187 0.000 2.242 393 K HA -0.004 4.318 4.320 0.005 0.000 0.200 393 K C 1.773 178.320 176.600 -0.089 0.000 1.050 393 K CA 1.482 57.708 56.287 -0.102 0.000 0.981 393 K CB 0.392 32.845 32.500 -0.078 0.000 0.795 393 K HN 0.177 nan 8.250 nan 0.000 0.477 394 T N -1.613 112.869 114.554 -0.121 0.000 3.040 394 T HA 0.117 4.470 4.350 0.005 0.000 0.250 394 T C 0.349 175.012 174.700 -0.062 0.000 1.058 394 T CA -0.283 61.771 62.100 -0.077 0.000 0.988 394 T CB 0.192 69.018 68.868 -0.071 0.000 0.993 394 T HN -0.063 nan 8.240 nan 0.000 0.519 395 K N 0.599 120.932 120.400 -0.112 0.000 3.160 395 K HA -0.131 4.191 4.320 0.005 0.000 0.280 395 K C -0.452 176.204 176.600 0.093 0.000 1.154 395 K CA 0.842 57.138 56.287 0.015 0.000 0.822 395 K CB -2.157 30.392 32.500 0.082 0.000 1.239 395 K HN 0.586 nan 8.250 nan 0.000 0.489 396 K N 0.615 121.000 120.400 -0.025 0.000 2.281 396 K HA 0.537 4.859 4.320 0.005 0.000 0.242 396 K C 0.279 176.937 176.600 0.097 0.000 0.971 396 K CA -0.518 55.800 56.287 0.052 0.000 0.834 396 K CB 1.939 34.440 32.500 0.001 0.000 1.181 396 K HN 0.204 nan 8.250 nan 0.000 0.435 397 S N -0.343 115.439 115.700 0.137 0.000 2.599 397 S HA 0.747 5.220 4.470 0.005 0.000 0.287 397 S C -0.821 173.811 174.600 0.053 0.000 1.105 397 S CA -0.661 57.626 58.200 0.145 0.000 0.899 397 S CB 1.695 64.983 63.200 0.148 0.000 1.100 397 S HN 0.602 nan 8.310 nan 0.000 0.482 398 S N 0.389 116.112 115.700 0.038 0.000 2.625 398 S HA 0.693 5.166 4.470 0.005 0.000 0.271 398 S C -0.444 174.167 174.600 0.018 0.000 1.161 398 S CA -0.834 57.377 58.200 0.017 0.000 0.820 398 S CB 1.003 64.206 63.200 0.006 0.000 1.137 398 S HN 1.116 nan 8.310 nan 0.000 0.470 399 S N -0.354 115.355 115.700 0.015 0.000 2.572 399 S HA 0.303 4.776 4.470 0.005 0.000 0.279 399 S C 0.319 174.923 174.600 0.008 0.000 1.341 399 S CA -0.634 57.583 58.200 0.028 0.000 1.043 399 S CB -0.411 62.795 63.200 0.009 0.000 0.887 399 S HN 0.600 nan 8.310 nan 0.000 0.516 400 L N 4.129 125.381 121.223 0.048 0.000 2.741 400 L HA 0.308 4.650 4.340 0.005 0.000 0.237 400 L C 1.961 178.747 176.870 -0.140 0.000 1.178 400 L CA -0.009 54.845 54.840 0.024 0.000 0.973 400 L CB -0.182 41.950 42.059 0.121 0.000 1.255 400 L HN 0.703 nan 8.230 nan 0.000 0.498 401 K N 0.853 121.036 120.400 -0.362 0.000 2.504 401 K HA 0.000 4.323 4.320 0.005 0.000 0.195 401 K C 1.387 177.840 176.600 -0.246 0.000 1.036 401 K CA 0.714 56.662 56.287 -0.565 0.000 0.984 401 K CB 0.178 32.371 32.500 -0.512 0.000 0.788 401 K HN 0.340 nan 8.250 nan 0.000 0.488 402 G N 0.026 108.738 108.800 -0.147 0.000 3.899 402 G HA2 0.521 4.484 3.960 0.005 0.000 0.293 402 G HA3 0.521 4.484 3.960 0.005 0.000 0.293 402 G C -0.505 174.360 174.900 -0.058 0.000 1.054 402 G CA 0.168 45.216 45.100 -0.087 0.000 0.846 402 G HN 0.393 nan 8.290 nan 0.000 0.525 403 A N -0.299 122.488 122.820 -0.056 0.000 4.772 403 A HA 0.008 4.330 4.320 0.005 0.000 0.553 403 A C 1.800 179.374 177.584 -0.015 0.000 1.107 403 A CA 0.648 52.668 52.037 -0.028 0.000 0.419 403 A CB -1.495 17.490 19.000 -0.024 0.000 3.151 403 A HN 1.727 nan 8.150 nan 0.000 0.491 404 S N -0.367 115.328 115.700 -0.007 0.000 2.559 404 S HA 0.094 4.566 4.470 0.005 0.000 0.250 404 S C 1.674 176.269 174.600 -0.008 0.000 0.977 404 S CA 1.744 59.942 58.200 -0.004 0.000 0.958 404 S CB -0.950 62.249 63.200 -0.002 0.000 0.751 404 S HN 2.378 nan 8.310 nan 0.000 0.534 405 G N 1.177 109.969 108.800 -0.013 0.000 2.882 405 G HA2 0.018 3.981 3.960 0.005 0.000 0.206 405 G HA3 0.018 3.981 3.960 0.005 0.000 0.206 405 G C 1.212 176.102 174.900 -0.017 0.000 1.155 405 G CA -0.066 45.025 45.100 -0.015 0.000 0.800 405 G HN 0.444 nan 8.290 nan 0.000 0.524 406 K N 0.240 120.633 120.400 -0.012 0.000 2.374 406 K HA 0.308 4.631 4.320 0.005 0.000 0.196 406 K C 1.289 177.882 176.600 -0.012 0.000 1.023 406 K CA 0.563 56.844 56.287 -0.011 0.000 1.103 406 K CB 0.797 33.297 32.500 -0.001 0.000 0.848 406 K HN 0.406 nan 8.250 nan 0.000 0.528 407 G N 1.402 110.196 108.800 -0.010 0.000 2.384 407 G HA2 -0.171 3.792 3.960 0.005 0.000 0.204 407 G HA3 -0.171 3.792 3.960 0.005 0.000 0.204 407 G C -1.582 173.329 174.900 0.019 0.000 1.237 407 G CA -0.850 44.244 45.100 -0.010 0.000 1.060 407 G HN 0.102 nan 8.290 nan 0.000 0.514 408 D N 1.442 121.868 120.400 0.042 0.000 2.382 408 D HA 0.236 4.879 4.640 0.005 0.000 0.245 408 D C 0.235 176.578 176.300 0.071 0.000 1.120 408 D CA 0.013 54.051 54.000 0.065 0.000 0.890 408 D CB 0.378 41.239 40.800 0.102 0.000 1.201 408 D HN 0.331 nan 8.370 nan 0.000 0.433 409 N N 1.476 120.192 118.700 0.027 0.000 2.520 409 N HA 0.355 5.098 4.740 0.005 0.000 0.273 409 N C 0.122 175.609 175.510 -0.039 0.000 1.155 409 N CA -0.105 52.932 53.050 -0.021 0.000 0.967 409 N CB 1.151 39.602 38.487 -0.059 0.000 1.092 409 N HN 0.427 nan 8.380 nan 0.000 0.457 410 I N -2.588 117.926 120.570 -0.093 0.000 3.195 410 I HA 0.573 4.746 4.170 0.005 0.000 0.313 410 I C -1.253 174.752 176.117 -0.186 0.000 1.237 410 I CA -1.056 60.184 61.300 -0.101 0.000 0.963 410 I CB 1.525 39.459 38.000 -0.110 0.000 1.278 410 I HN 0.092 nan 8.210 nan 0.000 0.460 411 F N 1.565 121.495 119.950 -0.034 0.000 2.408 411 F HA 0.495 5.025 4.527 0.005 0.000 0.344 411 F C 0.421 176.090 175.800 -0.218 0.000 1.112 411 F CA 0.046 58.027 58.000 -0.032 0.000 1.096 411 F CB 1.516 40.578 39.000 0.105 0.000 1.129 411 F HN 0.507 nan 8.300 nan 0.000 0.486 412 Q N 4.299 124.028 119.800 -0.118 0.000 3.064 412 Q HA 0.396 4.739 4.340 0.005 0.000 0.258 412 Q C -1.776 173.993 176.000 -0.384 0.000 0.972 412 Q CA -0.280 55.176 55.803 -0.578 0.000 0.761 412 Q CB 1.355 29.680 28.738 -0.688 0.000 1.281 412 Q HN 0.473 nan 8.270 nan 0.000 0.455 413 V N 2.344 122.082 119.914 -0.292 0.000 2.513 413 V HA 0.367 4.490 4.120 0.005 0.000 0.299 413 V C -0.389 175.455 176.094 -0.417 0.000 1.035 413 V CA -0.618 61.375 62.300 -0.511 0.000 0.889 413 V CB 1.863 33.147 31.823 -0.899 0.000 0.988 413 V HN 0.567 nan 8.190 nan 0.000 0.440 414 Q N 3.897 123.459 119.800 -0.398 0.000 2.413 414 Q HA 0.483 4.826 4.340 0.005 0.000 0.258 414 Q C -1.468 174.380 176.000 -0.253 0.000 1.037 414 Q CA -0.370 55.284 55.803 -0.248 0.000 0.764 414 Q CB 0.930 29.616 28.738 -0.087 0.000 1.217 414 Q HN 0.682 nan 8.270 nan 0.000 0.490 415 F N 2.889 122.758 119.950 -0.135 0.000 2.412 415 F HA 0.254 4.784 4.527 0.005 0.000 0.348 415 F C -0.103 175.608 175.800 -0.150 0.000 1.102 415 F CA -0.919 57.000 58.000 -0.135 0.000 1.196 415 F CB 0.831 39.743 39.000 -0.147 0.000 1.144 415 F HN 0.372 nan 8.300 nan 0.000 0.541 416 L N 5.149 126.428 121.223 0.093 0.000 2.276 416 L HA 0.431 4.774 4.340 0.005 0.000 0.286 416 L C -0.110 176.696 176.870 -0.106 0.000 1.024 416 L CA -0.508 54.306 54.840 -0.044 0.000 0.826 416 L CB 1.007 43.048 42.059 -0.030 0.000 1.211 416 L HN 0.394 nan 8.230 nan 0.000 0.422 417 V N 1.483 121.256 119.914 -0.235 0.000 3.166 417 V HA 0.837 4.960 4.120 0.005 0.000 0.317 417 V C -0.461 175.459 176.094 -0.291 0.000 1.136 417 V CA -0.809 61.289 62.300 -0.337 0.000 1.035 417 V CB 2.267 33.628 31.823 -0.769 0.000 1.110 417 V HN 0.712 nan 8.190 nan 0.000 0.450 418 K N 0.121 120.253 120.400 -0.446 0.000 2.575 418 K HA 0.577 4.899 4.320 0.005 0.000 0.279 418 K C -2.000 174.314 176.600 -0.477 0.000 0.969 418 K CA -0.219 55.819 56.287 -0.416 0.000 0.868 418 K CB 2.195 34.393 32.500 -0.504 0.000 1.457 418 K HN 1.188 nan 8.250 nan 0.000 0.426 419 D N 0.275 120.614 120.400 -0.103 0.000 2.895 419 D HA 0.319 4.962 4.640 0.005 0.000 0.320 419 D C 0.365 176.780 176.300 0.192 0.000 1.249 419 D CA -0.177 53.899 54.000 0.127 0.000 0.997 419 D CB 0.447 41.321 40.800 0.123 0.000 1.430 419 D HN 0.437 nan 8.370 nan 0.000 0.558 420 A N 0.125 123.036 122.820 0.152 0.000 1.898 420 A HA -0.069 4.254 4.320 0.005 0.000 0.216 420 A C 2.012 179.608 177.584 0.018 0.000 1.181 420 A CA 2.790 54.872 52.037 0.075 0.000 0.620 420 A CB -1.189 17.806 19.000 -0.010 0.000 0.819 420 A HN 0.721 nan 8.150 nan 0.000 0.442 421 S N -0.669 115.031 115.700 -0.001 0.000 2.507 421 S HA -0.068 4.405 4.470 0.005 0.000 0.235 421 S C 1.253 175.852 174.600 -0.001 0.000 0.988 421 S CA 1.637 59.823 58.200 -0.024 0.000 0.944 421 S CB -0.728 62.459 63.200 -0.022 0.000 0.762 421 S HN 0.847 nan 8.310 nan 0.000 0.526 422 T N -3.265 111.311 114.554 0.037 0.000 3.170 422 T HA 0.332 4.684 4.350 0.005 0.000 0.288 422 T C 1.143 175.908 174.700 0.109 0.000 0.992 422 T CA -0.050 62.100 62.100 0.084 0.000 0.909 422 T CB 0.212 69.176 68.868 0.159 0.000 1.133 422 T HN 0.164 nan 8.240 nan 0.000 0.530 423 Q N 1.574 121.436 119.800 0.104 0.000 2.152 423 Q HA 0.015 4.358 4.340 0.005 0.000 0.206 423 Q C 1.739 177.802 176.000 0.106 0.000 0.985 423 Q CA 1.797 57.685 55.803 0.142 0.000 0.863 423 Q CB -0.674 28.146 28.738 0.136 0.000 0.904 423 Q HN 0.700 nan 8.270 nan 0.000 0.422 424 L N 0.223 121.485 121.223 0.066 0.000 2.354 424 L HA 0.081 4.423 4.340 0.005 0.000 0.212 424 L C 0.646 177.538 176.870 0.038 0.000 1.091 424 L CA 0.096 54.965 54.840 0.048 0.000 0.828 424 L CB -0.640 41.437 42.059 0.031 0.000 0.973 424 L HN 0.273 nan 8.230 nan 0.000 0.461 425 N N -0.480 118.244 118.700 0.039 0.000 2.326 425 N HA -0.144 4.599 4.740 0.005 0.000 0.239 425 N C 0.251 175.770 175.510 0.014 0.000 1.301 425 N CA -0.024 53.041 53.050 0.025 0.000 0.909 425 N CB 0.013 38.520 38.487 0.034 0.000 1.156 425 N HN -0.015 nan 8.380 nan 0.000 0.462 426 N N -0.535 118.159 118.700 -0.010 0.000 2.346 426 N HA 0.036 4.779 4.740 0.005 0.000 0.225 426 N C -1.023 174.434 175.510 -0.088 0.000 1.144 426 N CA -0.300 52.730 53.050 -0.033 0.000 0.837 426 N CB -0.277 38.193 38.487 -0.028 0.000 1.069 426 N HN 0.438 nan 8.380 nan 0.000 0.487 427 N N -0.350 118.272 118.700 -0.129 0.000 2.404 427 N HA 0.245 4.988 4.740 0.005 0.000 0.297 427 N C -0.874 174.347 175.510 -0.482 0.000 1.163 427 N CA -0.130 52.711 53.050 -0.349 0.000 0.864 427 N CB 1.966 40.161 38.487 -0.487 0.000 1.247 427 N HN -0.114 nan 8.380 nan 0.000 0.510 428 T N 0.430 114.567 114.554 -0.695 0.000 2.912 428 T HA 0.598 4.951 4.350 0.005 0.000 0.299 428 T C -1.605 172.570 174.700 -0.875 0.000 1.052 428 T CA -0.437 61.327 62.100 -0.560 0.000 0.996 428 T CB 0.251 68.952 68.868 -0.278 0.000 1.070 428 T HN 0.261 nan 8.240 nan 0.000 0.465 429 Y N 1.978 121.991 120.300 -0.479 0.000 2.446 429 Y HA 0.607 5.160 4.550 0.005 0.000 0.338 429 Y C 0.878 176.488 175.900 -0.483 0.000 1.055 429 Y CA -1.244 56.408 58.100 -0.748 0.000 1.101 429 Y CB 1.200 38.703 38.460 -1.594 0.000 1.221 429 Y HN 0.337 nan 8.280 nan 0.000 0.460 430 R N 1.720 122.123 120.500 -0.161 0.000 2.234 430 R HA 0.550 4.893 4.340 0.005 0.000 0.324 430 R C -1.366 175.017 176.300 0.137 0.000 1.054 430 R CA -0.595 55.506 56.100 0.001 0.000 0.912 430 R CB 0.935 31.266 30.300 0.053 0.000 1.030 430 R HN 0.392 nan 8.270 nan 0.000 0.455 431 V N 6.037 125.972 119.914 0.036 0.000 2.407 431 V HA 0.324 4.447 4.120 0.005 0.000 0.291 431 V C -0.023 176.062 176.094 -0.015 0.000 1.018 431 V CA -0.753 61.579 62.300 0.053 0.000 0.842 431 V CB 1.622 33.387 31.823 -0.096 0.000 0.996 431 V HN 0.585 nan 8.190 nan 0.000 0.426 432 L N 5.023 126.199 121.223 -0.079 0.000 2.379 432 L HA 0.587 4.929 4.340 0.005 0.000 0.269 432 L C -0.369 176.411 176.870 -0.151 0.000 1.084 432 L CA -0.620 54.087 54.840 -0.222 0.000 0.802 432 L CB 1.310 43.015 42.059 -0.590 0.000 1.175 432 L HN 0.475 nan 8.230 nan 0.000 0.448 433 L N 2.781 123.951 121.223 -0.089 0.000 2.529 433 L HA 0.386 4.729 4.340 0.005 0.000 0.246 433 L C -1.367 175.607 176.870 0.175 0.000 1.394 433 L CA -0.007 54.769 54.840 -0.106 0.000 0.906 433 L CB 0.017 41.819 42.059 -0.428 0.000 1.170 433 L HN 0.255 nan 8.230 nan 0.000 0.501 434 Y N 0.813 121.032 120.300 -0.135 0.000 2.434 434 Y HA 0.354 4.907 4.550 0.005 0.000 0.341 434 Y C 1.584 177.443 175.900 -0.069 0.000 0.965 434 Y CA -0.853 57.182 58.100 -0.109 0.000 1.205 434 Y CB 1.127 39.500 38.460 -0.145 0.000 1.121 434 Y HN 0.527 nan 8.280 nan 0.000 0.507 435 T N -1.966 112.642 114.554 0.090 0.000 3.144 435 T HA -0.066 4.287 4.350 0.005 0.000 0.249 435 T C 1.476 176.185 174.700 0.016 0.000 1.089 435 T CA -0.145 62.007 62.100 0.086 0.000 0.989 435 T CB 0.135 69.114 68.868 0.185 0.000 0.992 435 T HN 0.533 nan 8.240 nan 0.000 0.540 436 Q N 1.779 121.513 119.800 -0.110 0.000 2.308 436 Q HA -0.183 4.160 4.340 0.005 0.000 0.209 436 Q C 0.334 176.316 176.000 -0.031 0.000 0.985 436 Q CA 1.661 57.340 55.803 -0.205 0.000 0.881 436 Q CB -0.557 27.741 28.738 -0.733 0.000 0.917 436 Q HN 0.480 nan 8.270 nan 0.000 0.443 437 D N -0.538 119.865 120.400 0.006 0.000 2.395 437 D HA 0.268 4.911 4.640 0.005 0.000 0.213 437 D C 0.789 177.124 176.300 0.057 0.000 1.110 437 D CA 0.714 54.743 54.000 0.047 0.000 0.835 437 D CB 0.906 41.734 40.800 0.047 0.000 0.965 437 D HN 0.461 nan 8.370 nan 0.000 0.505 438 G N 0.756 109.594 108.800 0.063 0.000 2.213 438 G HA2 -0.243 3.719 3.960 0.005 0.000 0.236 438 G HA3 -0.243 3.719 3.960 0.005 0.000 0.236 438 G C 0.279 175.227 174.900 0.080 0.000 0.991 438 G CA -0.372 44.773 45.100 0.075 0.000 0.629 438 G HN 0.318 nan 8.290 nan 0.000 0.517 439 L N 1.226 122.492 121.223 0.072 0.000 2.433 439 L HA 0.440 4.782 4.340 0.005 0.000 0.275 439 L C 1.708 178.623 176.870 0.074 0.000 1.128 439 L CA 0.994 55.877 54.840 0.072 0.000 0.875 439 L CB 0.425 42.520 42.059 0.060 0.000 1.171 439 L HN 1.074 nan 8.230 nan 0.000 0.463 440 G N 2.671 111.521 108.800 0.084 0.000 2.160 440 G HA2 -0.329 3.634 3.960 0.005 0.000 0.251 440 G HA3 -0.329 3.634 3.960 0.005 0.000 0.251 440 G C 0.989 175.949 174.900 0.099 0.000 1.008 440 G CA 0.381 45.530 45.100 0.081 0.000 0.724 440 G HN 0.842 nan 8.290 nan 0.000 0.514 441 A N -0.104 122.795 122.820 0.132 0.000 2.019 441 A HA 0.033 4.355 4.320 0.005 0.000 0.219 441 A C 1.862 179.569 177.584 0.206 0.000 1.164 441 A CA 1.815 53.969 52.037 0.195 0.000 0.644 441 A CB -0.179 18.923 19.000 0.170 0.000 0.805 441 A HN 0.471 nan 8.150 nan 0.000 0.449 442 N N -1.477 117.308 118.700 0.143 0.000 2.238 442 N HA 0.113 4.856 4.740 0.005 0.000 0.222 442 N C 0.662 176.205 175.510 0.054 0.000 1.133 442 N CA -0.159 52.963 53.050 0.119 0.000 0.854 442 N CB -0.007 38.532 38.487 0.087 0.000 1.041 442 N HN 0.479 nan 8.380 nan 0.000 0.510 443 F N 0.893 120.740 119.950 -0.172 0.000 2.095 443 F HA -0.126 4.404 4.527 0.005 0.000 0.298 443 F C 1.215 176.793 175.800 -0.371 0.000 1.104 443 F CA 1.641 59.428 58.000 -0.356 0.000 1.232 443 F CB -0.127 38.488 39.000 -0.643 0.000 0.987 443 F HN -0.058 nan 8.300 nan 0.000 0.475 444 F N 0.116 120.083 119.950 0.028 0.000 2.797 444 F HA 0.120 4.650 4.527 0.005 0.000 0.302 444 F C 1.039 176.844 175.800 0.008 0.000 1.130 444 F CA 0.308 58.309 58.000 0.000 0.000 1.387 444 F CB -0.408 38.635 39.000 0.072 0.000 1.107 444 F HN -0.019 nan 8.300 nan 0.000 0.577 445 N N 0.024 118.810 118.700 0.144 0.000 2.800 445 N HA -0.171 4.572 4.740 0.005 0.000 0.250 445 N C -0.879 174.737 175.510 0.177 0.000 1.078 445 N CA 0.637 53.758 53.050 0.117 0.000 0.804 445 N CB -1.415 37.111 38.487 0.064 0.000 1.135 445 N HN 0.092 nan 8.380 nan 0.000 0.565 446 V N 1.336 121.418 119.914 0.280 0.000 2.409 446 V HA 0.206 4.328 4.120 0.005 0.000 0.290 446 V C 0.291 176.621 176.094 0.393 0.000 1.017 446 V CA -0.991 61.486 62.300 0.295 0.000 0.841 446 V CB 2.090 34.100 31.823 0.311 0.000 1.003 446 V HN -0.073 nan 8.190 nan 0.000 0.426 447 K N 3.158 123.718 120.400 0.266 0.000 2.448 447 K HA 0.374 4.697 4.320 0.005 0.000 0.278 447 K C 0.620 177.347 176.600 0.213 0.000 1.009 447 K CA 0.085 56.522 56.287 0.251 0.000 0.995 447 K CB 0.873 33.460 32.500 0.144 0.000 0.917 447 K HN 0.820 nan 8.250 nan 0.000 0.481 448 A N 2.714 125.628 122.820 0.157 0.000 2.561 448 A HA 0.043 4.366 4.320 0.005 0.000 0.234 448 A C 0.175 177.681 177.584 -0.130 0.000 1.055 448 A CA 0.541 52.445 52.037 -0.223 0.000 0.756 448 A CB 0.048 18.870 19.000 -0.296 0.000 0.986 448 A HN 0.724 nan 8.150 nan 0.000 0.505 449 D N 0.033 120.320 120.400 -0.189 0.000 2.683 449 D HA 0.096 4.739 4.640 0.005 0.000 0.246 449 D C -1.006 175.225 176.300 -0.116 0.000 1.238 449 D CA -0.570 53.371 54.000 -0.099 0.000 0.759 449 D CB 0.853 41.627 40.800 -0.043 0.000 1.349 449 D HN 0.419 nan 8.370 nan 0.000 0.426 450 N N 2.171 120.834 118.700 -0.061 0.000 2.411 450 N HA 0.011 4.753 4.740 0.005 0.000 0.282 450 N C 1.059 176.525 175.510 -0.074 0.000 1.322 450 N CA 0.296 53.326 53.050 -0.033 0.000 0.943 450 N CB 0.083 38.583 38.487 0.021 0.000 1.266 450 N HN 0.421 nan 8.380 nan 0.000 0.486 451 L N 3.009 124.125 121.223 -0.178 0.000 2.551 451 L HA -0.070 4.272 4.340 0.005 0.000 0.228 451 L C 1.531 178.239 176.870 -0.269 0.000 1.153 451 L CA 0.475 55.169 54.840 -0.243 0.000 0.851 451 L CB -0.354 41.509 42.059 -0.326 0.000 0.959 451 L HN 0.563 nan 8.230 nan 0.000 0.451 452 H N 0.232 119.265 119.070 -0.061 0.000 2.512 452 H HA 0.031 4.590 4.556 0.005 0.000 0.279 452 H C 1.577 176.880 175.328 -0.042 0.000 0.999 452 H CA 0.884 56.901 56.048 -0.051 0.000 1.283 452 H CB 0.513 30.249 29.762 -0.043 0.000 1.421 452 H HN 0.394 nan 8.280 nan 0.000 0.554 453 K N -0.024 120.410 120.400 0.056 0.000 2.424 453 K HA 0.031 4.354 4.320 0.005 0.000 0.198 453 K C 0.643 177.241 176.600 -0.003 0.000 1.190 453 K CA -0.152 56.150 56.287 0.025 0.000 0.935 453 K CB 0.816 33.331 32.500 0.026 0.000 1.087 453 K HN -0.102 nan 8.250 nan 0.000 0.524 454 N N 1.524 120.212 118.700 -0.021 0.000 2.602 454 N HA 0.154 4.897 4.740 0.005 0.000 0.238 454 N C 0.321 175.807 175.510 -0.039 0.000 1.084 454 N CA -0.079 52.956 53.050 -0.025 0.000 0.952 454 N CB 1.228 39.699 38.487 -0.025 0.000 1.244 454 N HN 0.150 nan 8.380 nan 0.000 0.512 455 A N 3.256 126.057 122.820 -0.031 0.000 1.940 455 A HA -0.158 4.165 4.320 0.005 0.000 0.219 455 A C 1.695 179.255 177.584 -0.038 0.000 1.176 455 A CA 1.347 53.361 52.037 -0.039 0.000 0.631 455 A CB -0.184 18.800 19.000 -0.027 0.000 0.814 455 A HN 0.685 nan 8.150 nan 0.000 0.446 456 D N 0.033 120.419 120.400 -0.023 0.000 2.092 456 D HA -0.124 4.519 4.640 0.005 0.000 0.193 456 D C 2.298 178.589 176.300 -0.015 0.000 0.994 456 D CA 1.638 55.630 54.000 -0.014 0.000 0.828 456 D CB -0.250 40.550 40.800 -0.001 0.000 0.963 456 D HN 0.448 nan 8.370 nan 0.000 0.450 457 A N 1.272 124.083 122.820 -0.015 0.000 1.933 457 A HA -0.197 4.126 4.320 0.005 0.000 0.218 457 A C 2.170 179.724 177.584 -0.051 0.000 1.175 457 A CA 1.432 53.465 52.037 -0.007 0.000 0.628 457 A CB -0.502 18.496 19.000 -0.003 0.000 0.814 457 A HN 0.110 nan 8.150 nan 0.000 0.444 458 R N -0.395 120.050 120.500 -0.092 0.000 2.075 458 R HA -0.174 4.169 4.340 0.005 0.000 0.232 458 R C 2.169 178.377 176.300 -0.152 0.000 1.126 458 R CA 1.892 57.897 56.100 -0.158 0.000 0.963 458 R CB -0.186 30.016 30.300 -0.162 0.000 0.858 458 R HN 0.330 nan 8.270 nan 0.000 0.435 459 K N 1.070 121.413 120.400 -0.096 0.000 2.057 459 K HA -0.114 4.209 4.320 0.005 0.000 0.207 459 K C 1.722 178.285 176.600 -0.062 0.000 1.049 459 K CA 1.782 58.023 56.287 -0.076 0.000 0.931 459 K CB 0.011 32.484 32.500 -0.046 0.000 0.714 459 K HN 0.131 nan 8.250 nan 0.000 0.440 460 K N -0.006 120.371 120.400 -0.037 0.000 2.097 460 K HA -0.052 4.271 4.320 0.005 0.000 0.206 460 K C 2.053 178.645 176.600 -0.013 0.000 1.049 460 K CA 1.527 57.813 56.287 -0.001 0.000 0.933 460 K CB -0.151 32.371 32.500 0.036 0.000 0.717 460 K HN 0.119 nan 8.250 nan 0.000 0.442 461 L N 0.790 121.957 121.223 -0.092 0.000 2.072 461 L HA -0.162 4.181 4.340 0.005 0.000 0.205 461 L C 2.171 178.889 176.870 -0.254 0.000 1.079 461 L CA 1.275 55.995 54.840 -0.199 0.000 0.752 461 L CB -0.393 41.446 42.059 -0.367 0.000 0.906 461 L HN 0.216 nan 8.230 nan 0.000 0.436 462 E N 0.182 120.215 120.200 -0.280 0.000 2.085 462 E HA -0.234 4.119 4.350 0.005 0.000 0.194 462 E C 1.712 178.267 176.600 -0.075 0.000 0.994 462 E CA 1.384 57.647 56.400 -0.230 0.000 0.801 462 E CB -0.099 29.488 29.700 -0.189 0.000 0.743 462 E HN 0.456 nan 8.360 nan 0.000 0.453 463 D N 0.269 120.647 120.400 -0.037 0.000 2.097 463 D HA -0.085 4.558 4.640 0.005 0.000 0.195 463 D C 2.085 178.424 176.300 0.066 0.000 0.989 463 D CA 0.973 54.981 54.000 0.013 0.000 0.827 463 D CB -0.265 40.543 40.800 0.013 0.000 0.966 463 D HN -0.033 nan 8.370 nan 0.000 0.456 464 S N 0.423 116.188 115.700 0.109 0.000 2.399 464 S HA -0.117 4.356 4.470 0.005 0.000 0.231 464 S C 2.060 176.832 174.600 0.285 0.000 1.022 464 S CA 0.966 59.294 58.200 0.214 0.000 0.983 464 S CB -0.156 63.254 63.200 0.349 0.000 0.803 464 S HN 0.363 nan 8.310 nan 0.000 0.480 465 A N 1.637 124.630 122.820 0.287 0.000 1.902 465 A HA -0.128 4.195 4.320 0.005 0.000 0.217 465 A C 2.004 179.721 177.584 0.221 0.000 1.181 465 A CA 1.363 53.625 52.037 0.376 0.000 0.623 465 A CB -0.494 18.686 19.000 0.299 0.000 0.818 465 A HN 0.521 nan 8.150 nan 0.000 0.443 466 E N -0.824 119.453 120.200 0.128 0.000 2.150 466 E HA -0.146 4.207 4.350 0.005 0.000 0.193 466 E C 1.771 178.417 176.600 0.077 0.000 0.985 466 E CA 0.925 57.377 56.400 0.087 0.000 0.814 466 E CB -0.158 29.572 29.700 0.051 0.000 0.752 466 E HN 0.443 nan 8.360 nan 0.000 0.466 467 L N 0.244 121.515 121.223 0.080 0.000 2.072 467 L HA -0.126 4.217 4.340 0.005 0.000 0.205 467 L C 2.087 178.978 176.870 0.035 0.000 1.079 467 L CA 1.314 56.181 54.840 0.046 0.000 0.752 467 L CB -0.286 41.798 42.059 0.042 0.000 0.906 467 L HN 0.139 nan 8.230 nan 0.000 0.436 468 L N -1.122 120.151 121.223 0.085 0.000 2.141 468 L HA -0.178 4.165 4.340 0.005 0.000 0.209 468 L C 2.141 179.033 176.870 0.037 0.000 1.094 468 L CA 1.704 56.574 54.840 0.050 0.000 0.763 468 L CB -0.822 41.295 42.059 0.097 0.000 0.908 468 L HN 0.435 nan 8.230 nan 0.000 0.437 469 T N -3.894 110.710 114.554 0.083 0.000 3.107 469 T HA 0.007 4.360 4.350 0.005 0.000 0.249 469 T C 0.788 175.524 174.700 0.060 0.000 1.096 469 T CA -0.274 61.880 62.100 0.089 0.000 1.012 469 T CB 0.011 68.954 68.868 0.125 0.000 0.977 469 T HN 0.066 nan 8.240 nan 0.000 0.527 470 K N 1.233 121.650 120.400 0.028 0.000 2.350 470 K HA 0.238 4.561 4.320 0.005 0.000 0.279 470 K C -0.244 176.340 176.600 -0.025 0.000 1.027 470 K CA -0.854 55.447 56.287 0.022 0.000 0.969 470 K CB 0.214 32.719 32.500 0.008 0.000 0.954 470 K HN 0.201 nan 8.250 nan 0.000 0.474 471 F N 4.847 124.731 119.950 -0.109 0.000 2.628 471 F HA -0.101 4.429 4.527 0.005 0.000 0.362 471 F C 0.839 176.518 175.800 -0.202 0.000 1.148 471 F CA 1.050 58.945 58.000 -0.176 0.000 1.352 471 F CB 0.063 38.987 39.000 -0.127 0.000 1.081 471 F HN 0.943 nan 8.300 nan 0.000 0.605 472 N N 1.732 119.524 118.700 -1.514 0.000 2.828 472 N HA -0.236 4.507 4.740 0.005 0.000 0.248 472 N C -0.802 174.313 175.510 -0.658 0.000 1.044 472 N CA 1.125 53.496 53.050 -1.132 0.000 0.851 472 N CB -1.310 36.621 38.487 -0.926 0.000 1.136 472 N HN 0.456 nan 8.380 nan 0.000 0.572 473 S N 0.217 115.494 115.700 -0.705 0.000 2.457 473 S HA 0.620 5.093 4.470 0.005 0.000 0.289 473 S C -0.553 173.677 174.600 -0.617 0.000 1.163 473 S CA -0.352 57.593 58.200 -0.425 0.000 1.078 473 S CB 0.890 63.953 63.200 -0.228 0.000 0.987 473 S HN 0.221 nan 8.310 nan 0.000 0.482 474 Y N 0.632 120.858 120.300 -0.122 0.000 2.633 474 Y HA 0.662 5.215 4.550 0.005 0.000 0.339 474 Y C -0.146 175.642 175.900 -0.188 0.000 1.045 474 Y CA -1.115 56.932 58.100 -0.088 0.000 1.098 474 Y CB 1.069 39.491 38.460 -0.065 0.000 1.296 474 Y HN 0.265 nan 8.280 nan 0.000 0.494 475 V N 1.218 121.008 119.914 -0.206 0.000 2.540 475 V HA 0.324 4.446 4.120 0.005 0.000 0.302 475 V C -1.266 174.540 176.094 -0.481 0.000 1.035 475 V CA -0.730 61.323 62.300 -0.411 0.000 0.873 475 V CB 1.760 33.192 31.823 -0.652 0.000 0.992 475 V HN 0.713 nan 8.190 nan 0.000 0.428 476 D N 3.578 123.825 120.400 -0.255 0.000 2.414 476 D HA 0.742 5.385 4.640 0.005 0.000 0.232 476 D C -0.381 175.853 176.300 -0.110 0.000 1.070 476 D CA 0.061 53.956 54.000 -0.175 0.000 0.839 476 D CB 1.562 42.307 40.800 -0.092 0.000 1.079 476 D HN 0.851 nan 8.370 nan 0.000 0.521 477 A N 2.612 125.377 122.820 -0.093 0.000 2.609 477 A HA 0.662 4.984 4.320 0.005 0.000 0.291 477 A C -1.342 176.259 177.584 0.028 0.000 1.096 477 A CA -0.675 51.372 52.037 0.016 0.000 0.684 477 A CB 1.419 20.478 19.000 0.099 0.000 1.282 477 A HN 0.288 nan 8.150 nan 0.000 0.412 478 V N 0.877 120.803 119.914 0.019 0.000 2.532 478 V HA 0.646 4.768 4.120 0.005 0.000 0.295 478 V C -0.071 176.044 176.094 0.035 0.000 1.041 478 V CA -0.214 62.056 62.300 -0.051 0.000 0.926 478 V CB 1.347 33.007 31.823 -0.271 0.000 0.992 478 V HN 1.269 nan 8.190 nan 0.000 0.457 479 V N 1.590 121.553 119.914 0.081 0.000 2.876 479 V HA 0.727 4.850 4.120 0.005 0.000 0.312 479 V C -0.712 175.519 176.094 0.228 0.000 1.085 479 V CA -0.793 61.604 62.300 0.162 0.000 0.945 479 V CB 1.926 33.867 31.823 0.197 0.000 1.017 479 V HN 0.917 nan 8.190 nan 0.000 0.428 480 E N 2.662 122.977 120.200 0.191 0.000 2.158 480 E HA 0.462 4.815 4.350 0.005 0.000 0.271 480 E C -0.320 176.355 176.600 0.125 0.000 0.911 480 E CA -0.890 55.604 56.400 0.157 0.000 0.767 480 E CB 1.649 31.396 29.700 0.078 0.000 1.120 480 E HN 0.820 nan 8.360 nan 0.000 0.405 481 R N 4.286 124.848 120.500 0.103 0.000 2.347 481 R HA 0.231 4.574 4.340 0.005 0.000 0.304 481 R C -0.633 175.591 176.300 -0.126 0.000 1.072 481 R CA 0.020 56.014 56.100 -0.176 0.000 0.980 481 R CB 0.563 30.766 30.300 -0.161 0.000 0.986 481 R HN 0.482 nan 8.270 nan 0.000 0.448 482 R N 3.654 124.056 120.500 -0.163 0.000 2.510 482 R HA 0.078 4.421 4.340 0.005 0.000 0.294 482 R C -0.937 175.324 176.300 -0.066 0.000 1.056 482 R CA -0.770 55.285 56.100 -0.075 0.000 0.918 482 R CB 1.196 31.483 30.300 -0.022 0.000 1.187 482 R HN 0.886 nan 8.270 nan 0.000 0.437 483 N N 2.228 120.881 118.700 -0.079 0.000 2.699 483 N HA -0.231 4.512 4.740 0.005 0.000 0.256 483 N C 0.536 175.886 175.510 -0.266 0.000 0.993 483 N CA 1.790 54.787 53.050 -0.087 0.000 0.759 483 N CB -0.898 37.607 38.487 0.030 0.000 0.906 483 N HN 1.057 nan 8.380 nan 0.000 0.541 484 G N -1.915 106.646 108.800 -0.398 0.000 2.184 484 G HA2 -0.311 3.652 3.960 0.005 0.000 0.264 484 G HA3 -0.311 3.652 3.960 0.005 0.000 0.264 484 G C 0.134 174.493 174.900 -0.901 0.000 0.975 484 G CA 0.614 45.324 45.100 -0.651 0.000 0.642 484 G HN 0.493 nan 8.290 nan 0.000 0.536 485 F N -1.054 118.693 119.950 -0.338 0.000 2.556 485 F HA 0.730 5.260 4.527 0.005 0.000 0.327 485 F C 0.090 175.617 175.800 -0.455 0.000 1.059 485 F CA -1.416 56.395 58.000 -0.316 0.000 0.953 485 F CB 1.365 40.230 39.000 -0.224 0.000 1.227 485 F HN -0.042 nan 8.300 nan 0.000 0.478 486 Y N 2.291 122.623 120.300 0.053 0.000 2.342 486 Y HA 0.534 5.086 4.550 0.005 0.000 0.338 486 Y C -0.820 175.062 175.900 -0.029 0.000 0.965 486 Y CA -0.808 57.272 58.100 -0.033 0.000 1.159 486 Y CB 1.123 39.515 38.460 -0.113 0.000 1.157 486 Y HN 0.229 nan 8.280 nan 0.000 0.486 487 L N 4.801 126.082 121.223 0.097 0.000 2.307 487 L HA 0.451 4.794 4.340 0.005 0.000 0.284 487 L C -0.161 176.746 176.870 0.063 0.000 1.023 487 L CA -0.415 54.438 54.840 0.021 0.000 0.810 487 L CB 1.114 43.162 42.059 -0.019 0.000 1.231 487 L HN 0.534 nan 8.230 nan 0.000 0.423 488 I N 3.970 124.557 120.570 0.027 0.000 2.634 488 I HA 0.245 4.417 4.170 0.005 0.000 0.284 488 I C 0.229 176.373 176.117 0.045 0.000 1.124 488 I CA 0.017 61.338 61.300 0.036 0.000 1.417 488 I CB 0.390 38.355 38.000 -0.059 0.000 1.396 488 I HN 0.689 nan 8.210 nan 0.000 0.571 489 K N 3.207 123.656 120.400 0.080 0.000 2.548 489 K HA 0.356 4.679 4.320 0.005 0.000 0.282 489 K C -1.072 175.604 176.600 0.127 0.000 1.006 489 K CA -0.864 55.481 56.287 0.097 0.000 0.892 489 K CB 1.376 33.930 32.500 0.090 0.000 1.499 489 K HN 0.436 nan 8.250 nan 0.000 0.433 490 D N 0.146 120.631 120.400 0.141 0.000 2.701 490 D HA -0.139 4.504 4.640 0.005 0.000 0.235 490 D C -1.056 175.332 176.300 0.148 0.000 1.155 490 D CA 1.541 55.638 54.000 0.162 0.000 0.649 490 D CB -1.439 39.532 40.800 0.285 0.000 1.050 490 D HN 0.657 nan 8.370 nan 0.000 0.425 491 T N 0.070 114.710 114.554 0.145 0.000 3.031 491 T HA 0.462 4.814 4.350 0.005 0.000 0.305 491 T C 0.222 174.933 174.700 0.019 0.000 0.985 491 T CA -0.883 61.294 62.100 0.130 0.000 1.008 491 T CB 2.275 71.288 68.868 0.242 0.000 1.005 491 T HN -0.016 nan 8.240 nan 0.000 0.444 492 K N 1.830 122.141 120.400 -0.149 0.000 2.346 492 K HA 0.739 5.061 4.320 0.005 0.000 0.238 492 K C -0.613 175.754 176.600 -0.388 0.000 1.039 492 K CA -1.047 55.055 56.287 -0.310 0.000 0.861 492 K CB 1.815 34.237 32.500 -0.130 0.000 1.278 492 K HN 0.295 nan 8.250 nan 0.000 0.460 493 L N 1.462 122.472 121.223 -0.355 0.000 2.439 493 L HA 0.571 4.914 4.340 0.005 0.000 0.259 493 L C -0.224 176.565 176.870 -0.135 0.000 1.129 493 L CA -0.439 54.245 54.840 -0.262 0.000 0.803 493 L CB 0.352 42.274 42.059 -0.228 0.000 1.161 493 L HN 0.629 nan 8.230 nan 0.000 0.462 494 I N 0.000 120.495 120.570 -0.125 0.000 2.984 494 I HA 0.000 4.173 4.170 0.005 0.000 0.288 494 I CA 0.000 61.239 61.300 -0.102 0.000 1.566 494 I CB 0.000 37.938 38.000 -0.103 0.000 1.214 494 I HN 0.000 nan 8.210 nan 0.000 0.494