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 3bi5_1_A DATA FIRST_RESID 5 DATA SEQUENCE SPAKKKVIII GAGIAGLKAA STLHQNGIQD CLVLEARDRV GGRLQTVTGY DATA SEQUENCE QGRKYDIGAS WHHDTLTNPL FLEEAQLSLN DGRTRFVFDD DNFIYIDEER DATA SEQUENCE GRVDHDKELL LEIVDNEMSK FAELEFHQHL GVSDCSFFQL VMKYLLQRRQ DATA SEQUENCE FLTNDQIRYL PQLCRYLELW HGLDWKLLSA KDTYFGHQGR NAFALNYDSV DATA SEQUENCE VQRIAQSFPQ NWLKLScEVK SITREPSKNV TVNcEDGTVY NADYVIITVP DATA SEQUENCE QSVLNLSVQP EKNLRGRIEF QPPLKPVIQD AFDKIHFGAL GKVIFEFEEC DATA SEQUENCE CWSNESSKIV TLANSTNEFV EIVRNAENLD ELDSMLEREX XXXXTSVTCW DATA SEQUENCE SQPLFFVNLS KSTGVASFMM LMQAPLTNHI ESIREDKERL FSFFQPVLNK DATA SEQUENCE IMKCLDSEDV IDGMRXXXXX XXANKPVLRN IIVSNWTRDP YSRGAYSACF DATA SEQUENCE PGDDPVDMVV AMSNGQDSRI RFAGEHTIMD GAGCAYGAWE SGRREATRIS DATA SEQUENCE DLLKLEHHH 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.569 174.600 -0.052 0.000 1.055 5 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 5 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 6 P HA 0.681 nan 4.420 nan 0.000 0.287 6 P C 0.282 177.555 177.300 -0.046 0.000 1.294 6 P CA 0.096 63.142 63.100 -0.089 0.000 0.776 6 P CB 1.021 32.667 31.700 -0.090 0.000 0.889 7 A N 4.559 127.355 122.820 -0.041 0.000 2.624 7 A HA -0.018 4.303 4.320 0.002 0.000 0.231 7 A C 0.500 178.131 177.584 0.079 0.000 1.034 7 A CA 0.428 52.492 52.037 0.045 0.000 0.754 7 A CB -0.151 18.923 19.000 0.123 0.000 0.953 7 A HN 0.494 nan 8.150 nan 0.000 0.509 8 K N 2.112 122.539 120.400 0.045 0.000 2.156 8 K HA 0.485 4.806 4.320 0.002 0.000 0.271 8 K C -0.439 176.161 176.600 0.000 0.000 0.995 8 K CA -0.434 55.863 56.287 0.017 0.000 0.890 8 K CB 1.502 34.001 32.500 -0.002 0.000 1.073 8 K HN 0.638 nan 8.250 nan 0.000 0.454 9 K N 2.125 122.504 120.400 -0.035 0.000 2.508 9 K HA 0.260 4.581 4.320 0.002 0.000 0.260 9 K C 0.459 176.998 176.600 -0.102 0.000 0.949 9 K CA -0.828 55.399 56.287 -0.100 0.000 0.834 9 K CB 2.061 34.459 32.500 -0.170 0.000 1.365 9 K HN 0.169 nan 8.250 nan 0.000 0.437 10 K N 0.171 120.497 120.400 -0.123 0.000 2.021 10 K HA 0.104 4.425 4.320 0.002 0.000 0.205 10 K C 0.297 176.862 176.600 -0.059 0.000 1.047 10 K CA 1.016 57.260 56.287 -0.072 0.000 0.943 10 K CB 0.338 32.798 32.500 -0.066 0.000 0.725 10 K HN 0.335 nan 8.250 nan 0.000 0.439 11 V N 1.338 121.156 119.914 -0.161 0.000 2.638 11 V HA 0.397 4.518 4.120 0.002 0.000 0.306 11 V C -0.784 175.157 176.094 -0.254 0.000 1.052 11 V CA -0.792 61.417 62.300 -0.151 0.000 0.885 11 V CB 2.005 33.729 31.823 -0.165 0.000 0.999 11 V HN 0.040 nan 8.190 nan 0.000 0.424 12 I N 5.404 125.858 120.570 -0.194 0.000 2.355 12 I HA 0.488 4.659 4.170 0.002 0.000 0.288 12 I C -0.666 175.345 176.117 -0.177 0.000 0.999 12 I CA -0.388 60.773 61.300 -0.232 0.000 1.163 12 I CB 1.748 39.620 38.000 -0.214 0.000 1.316 12 I HN 0.451 nan 8.210 nan 0.000 0.454 13 I N 7.229 127.684 120.570 -0.191 0.000 2.312 13 I HA 0.286 4.457 4.170 0.002 0.000 0.290 13 I C -0.417 175.641 176.117 -0.099 0.000 1.008 13 I CA -0.620 60.600 61.300 -0.133 0.000 1.226 13 I CB 1.280 39.193 38.000 -0.145 0.000 1.371 13 I HN 0.358 nan 8.210 nan 0.000 0.468 14 I N 6.121 126.656 120.570 -0.058 0.000 2.312 14 I HA 0.580 4.751 4.170 0.002 0.000 0.291 14 I C 0.623 176.738 176.117 -0.003 0.000 1.031 14 I CA 0.065 61.345 61.300 -0.035 0.000 1.293 14 I CB 0.857 38.850 38.000 -0.012 0.000 1.403 14 I HN 0.753 nan 8.210 nan 0.000 0.484 15 G N 4.579 113.371 108.800 -0.013 0.000 3.067 15 G HA2 0.245 4.206 3.960 0.002 0.000 0.686 15 G HA3 0.245 4.206 3.960 0.002 0.000 0.686 15 G C -0.362 174.551 174.900 0.023 0.000 1.119 15 G CA -0.483 44.622 45.100 0.007 0.000 0.790 15 G HN 0.992 nan 8.290 nan 0.000 0.605 16 A N 1.755 124.595 122.820 0.033 0.000 3.159 16 A HA 0.786 5.107 4.320 0.002 0.000 0.301 16 A C 1.286 178.917 177.584 0.079 0.000 1.271 16 A CA 1.046 53.123 52.037 0.067 0.000 0.998 16 A CB -0.215 18.835 19.000 0.083 0.000 1.101 16 A HN 2.121 nan 8.150 nan 0.000 0.610 17 G N -0.854 107.989 108.800 0.072 0.000 2.543 17 G HA2 0.392 4.353 3.960 0.002 0.000 0.290 17 G HA3 0.392 4.353 3.960 0.002 0.000 0.290 17 G C 0.976 175.929 174.900 0.089 0.000 1.310 17 G CA -0.422 44.721 45.100 0.072 0.000 1.025 17 G HN 0.336 nan 8.290 nan 0.000 0.502 18 I N -0.068 120.555 120.570 0.088 0.000 2.423 18 I HA -0.182 3.990 4.170 0.002 0.000 0.254 18 I C 2.801 179.003 176.117 0.142 0.000 1.151 18 I CA 1.546 62.933 61.300 0.145 0.000 1.421 18 I CB 0.018 38.115 38.000 0.162 0.000 1.079 18 I HN 0.488 nan 8.210 nan 0.000 0.431 19 A N 0.438 123.318 122.820 0.100 0.000 1.845 19 A HA -0.134 4.188 4.320 0.002 0.000 0.215 19 A C 2.367 179.963 177.584 0.019 0.000 1.195 19 A CA 1.742 53.815 52.037 0.059 0.000 0.616 19 A CB -1.572 17.467 19.000 0.065 0.000 0.832 19 A HN 0.469 nan 8.150 nan 0.000 0.443 20 G N -0.439 108.381 108.800 0.033 0.000 2.422 20 G HA2 -0.120 3.842 3.960 0.002 0.000 0.218 20 G HA3 -0.120 3.842 3.960 0.002 0.000 0.218 20 G C 1.569 176.470 174.900 0.001 0.000 1.146 20 G CA 0.973 46.075 45.100 0.003 0.000 0.769 20 G HN 0.407 nan 8.290 nan 0.000 0.547 21 L N -0.126 121.143 121.223 0.077 0.000 2.046 21 L HA -0.053 4.288 4.340 0.002 0.000 0.208 21 L C 2.785 179.727 176.870 0.121 0.000 1.077 21 L CA 1.474 56.416 54.840 0.171 0.000 0.747 21 L CB -0.250 41.951 42.059 0.237 0.000 0.896 21 L HN 0.172 nan 8.230 nan 0.000 0.432 22 K N 0.541 120.967 120.400 0.043 0.000 2.148 22 K HA -0.075 4.247 4.320 0.002 0.000 0.204 22 K C 1.993 178.513 176.600 -0.132 0.000 1.050 22 K CA 1.371 57.606 56.287 -0.087 0.000 0.942 22 K CB -0.296 32.000 32.500 -0.340 0.000 0.724 22 K HN 0.212 nan 8.250 nan 0.000 0.446 23 A N 0.559 123.309 122.820 -0.117 0.000 1.908 23 A HA -0.096 4.226 4.320 0.002 0.000 0.218 23 A C 2.376 179.894 177.584 -0.110 0.000 1.181 23 A CA 2.160 54.123 52.037 -0.123 0.000 0.627 23 A CB -1.060 17.875 19.000 -0.109 0.000 0.818 23 A HN 0.410 nan 8.150 nan 0.000 0.445 24 A N -1.207 121.523 122.820 -0.151 0.000 1.929 24 A HA -0.030 4.291 4.320 0.002 0.000 0.216 24 A C 2.451 179.988 177.584 -0.079 0.000 1.176 24 A CA 1.939 53.840 52.037 -0.228 0.000 0.628 24 A CB -0.918 17.623 19.000 -0.765 0.000 0.816 24 A HN 0.532 nan 8.150 nan 0.000 0.444 25 S N -0.862 114.859 115.700 0.034 0.000 2.383 25 S HA -0.149 4.323 4.470 0.002 0.000 0.229 25 S C 2.049 176.723 174.600 0.123 0.000 1.030 25 S CA 2.250 60.575 58.200 0.209 0.000 1.002 25 S CB -0.481 62.843 63.200 0.207 0.000 0.829 25 S HN 0.623 nan 8.310 nan 0.000 0.467 26 T N 2.500 117.069 114.554 0.025 0.000 2.812 26 T HA 0.103 4.455 4.350 0.002 0.000 0.264 26 T C 1.725 176.443 174.700 0.030 0.000 1.042 26 T CA 1.129 63.225 62.100 -0.007 0.000 1.140 26 T CB -0.306 68.508 68.868 -0.089 0.000 0.870 26 T HN 0.287 nan 8.240 nan 0.000 0.445 27 L N 0.245 121.502 121.223 0.057 0.000 1.970 27 L HA -0.191 4.150 4.340 0.002 0.000 0.212 27 L C 2.576 179.560 176.870 0.190 0.000 1.071 27 L CA 1.944 56.844 54.840 0.101 0.000 0.751 27 L CB -0.669 41.458 42.059 0.114 0.000 0.889 27 L HN 0.335 nan 8.230 nan 0.000 0.432 28 H N -0.032 119.145 119.070 0.177 0.000 2.353 28 H HA -0.272 4.286 4.556 0.002 0.000 0.298 28 H C 2.294 177.653 175.328 0.052 0.000 1.103 28 H CA 2.277 58.386 56.048 0.102 0.000 1.293 28 H CB -0.092 29.637 29.762 -0.055 0.000 1.372 28 H HN 0.304 nan 8.280 nan 0.000 0.501 29 Q N -0.203 119.606 119.800 0.016 0.000 2.181 29 Q HA -0.158 4.183 4.340 0.002 0.000 0.205 29 Q C 0.666 176.623 176.000 -0.071 0.000 0.980 29 Q CA 1.689 57.460 55.803 -0.053 0.000 0.862 29 Q CB 0.047 28.794 28.738 0.016 0.000 0.905 29 Q HN 0.460 nan 8.270 nan 0.000 0.429 30 N N -0.620 118.060 118.700 -0.033 0.000 2.313 30 N HA 0.137 4.878 4.740 0.002 0.000 0.207 30 N C 0.286 175.782 175.510 -0.024 0.000 1.141 30 N CA 0.817 53.851 53.050 -0.027 0.000 0.830 30 N CB 0.727 39.203 38.487 -0.017 0.000 1.008 30 N HN 0.438 nan 8.380 nan 0.000 0.481 31 G N 0.015 108.778 108.800 -0.062 0.000 2.168 31 G HA2 -0.271 3.690 3.960 0.002 0.000 0.263 31 G HA3 -0.271 3.690 3.960 0.002 0.000 0.263 31 G C 0.078 175.015 174.900 0.061 0.000 0.977 31 G CA -0.167 44.911 45.100 -0.035 0.000 0.659 31 G HN 0.247 nan 8.290 nan 0.000 0.533 32 I N 1.056 121.689 120.570 0.105 0.000 2.588 32 I HA 0.265 4.436 4.170 0.002 0.000 0.283 32 I C 0.891 177.176 176.117 0.280 0.000 1.119 32 I CA 0.307 61.690 61.300 0.138 0.000 1.419 32 I CB 0.543 38.593 38.000 0.083 0.000 1.394 32 I HN 0.379 nan 8.210 nan 0.000 0.562 33 Q N 3.383 123.317 119.800 0.224 0.000 2.712 33 Q HA 0.341 4.683 4.340 0.002 0.000 0.267 33 Q C -0.831 175.253 176.000 0.139 0.000 1.062 33 Q CA -0.931 55.076 55.803 0.340 0.000 0.888 33 Q CB 1.317 30.208 28.738 0.255 0.000 1.374 33 Q HN 0.473 nan 8.270 nan 0.000 0.498 34 D N -0.027 120.466 120.400 0.155 0.000 2.737 34 D HA -0.153 4.488 4.640 0.002 0.000 0.238 34 D C -0.974 175.086 176.300 -0.400 0.000 1.157 34 D CA 0.523 54.481 54.000 -0.070 0.000 0.694 34 D CB -1.415 39.375 40.800 -0.018 0.000 1.021 34 D HN 0.392 nan 8.370 nan 0.000 0.420 35 C N 0.051 118.737 119.300 -1.023 0.000 2.710 35 C HA 0.842 5.303 4.460 0.002 0.000 0.367 35 C C 0.094 174.344 174.990 -1.234 0.000 1.315 35 C CA -0.715 57.551 59.018 -1.253 0.000 1.764 35 C CB 1.756 28.486 27.740 -1.683 0.000 2.182 35 C HN 0.457 nan 8.230 nan 0.000 0.491 36 L N 0.571 121.314 121.223 -0.800 0.000 2.506 36 L HA 0.690 5.032 4.340 0.002 0.000 0.257 36 L C -1.104 175.570 176.870 -0.327 0.000 0.964 36 L CA -0.114 54.428 54.840 -0.497 0.000 0.836 36 L CB 2.132 43.888 42.059 -0.505 0.000 1.384 36 L HN 0.458 nan 8.230 nan 0.000 0.410 37 V N 4.637 124.457 119.914 -0.156 0.000 2.376 37 V HA 0.501 4.623 4.120 0.002 0.000 0.287 37 V C -0.503 175.556 176.094 -0.057 0.000 1.015 37 V CA -0.519 61.728 62.300 -0.089 0.000 0.834 37 V CB 1.567 33.396 31.823 0.010 0.000 1.001 37 V HN 0.483 nan 8.190 nan 0.000 0.428 38 L N 4.222 125.393 121.223 -0.087 0.000 2.296 38 L HA 0.760 5.101 4.340 0.002 0.000 0.286 38 L C -0.305 176.536 176.870 -0.047 0.000 1.023 38 L CA -0.437 54.363 54.840 -0.067 0.000 0.812 38 L CB 1.701 43.705 42.059 -0.092 0.000 1.223 38 L HN 0.600 nan 8.230 nan 0.000 0.421 39 E N 2.025 122.201 120.200 -0.039 0.000 2.234 39 E HA 0.550 4.901 4.350 0.002 0.000 0.266 39 E C 0.066 176.597 176.600 -0.114 0.000 0.877 39 E CA -0.306 56.055 56.400 -0.065 0.000 0.758 39 E CB 2.118 31.804 29.700 -0.024 0.000 1.170 39 E HN 0.555 nan 8.360 nan 0.000 0.415 40 A N 5.174 127.852 122.820 -0.237 0.000 1.877 40 A HA -0.028 4.294 4.320 0.002 0.000 0.216 40 A C 1.134 178.557 177.584 -0.269 0.000 1.186 40 A CA 0.971 52.792 52.037 -0.361 0.000 0.620 40 A CB -0.319 18.134 19.000 -0.911 0.000 0.822 40 A HN 0.625 nan 8.150 nan 0.000 0.443 41 R N 0.004 120.352 120.500 -0.252 0.000 2.840 41 R HA 0.160 4.501 4.340 0.002 0.000 0.282 41 R C -0.275 176.014 176.300 -0.019 0.000 1.133 41 R CA 0.467 56.524 56.100 -0.072 0.000 1.208 41 R CB -0.037 30.258 30.300 -0.008 0.000 1.160 41 R HN 0.557 nan 8.270 nan 0.000 0.576 42 D N -0.328 120.082 120.400 0.017 0.000 2.615 42 D HA 0.077 4.719 4.640 0.002 0.000 0.236 42 D C -0.142 176.173 176.300 0.026 0.000 1.233 42 D CA -0.391 53.621 54.000 0.020 0.000 0.829 42 D CB 0.047 40.862 40.800 0.024 0.000 1.024 42 D HN 0.480 nan 8.370 nan 0.000 0.490 43 R N -1.424 119.094 120.500 0.030 0.000 2.716 43 R HA 0.597 4.938 4.340 0.002 0.000 0.271 43 R C -1.140 175.189 176.300 0.047 0.000 1.028 43 R CA -1.078 55.045 56.100 0.039 0.000 0.883 43 R CB 0.948 31.277 30.300 0.047 0.000 1.250 43 R HN -0.088 nan 8.270 nan 0.000 0.465 44 V N -1.672 118.275 119.914 0.054 0.000 3.096 44 V HA 0.896 5.017 4.120 0.002 0.000 0.319 44 V C 0.851 176.989 176.094 0.073 0.000 1.082 44 V CA 0.434 62.774 62.300 0.067 0.000 1.022 44 V CB 0.907 32.777 31.823 0.077 0.000 1.103 44 V HN 1.226 nan 8.190 nan 0.000 0.455 45 G N -0.394 108.452 108.800 0.077 0.000 2.436 45 G HA2 0.190 4.151 3.960 0.002 0.000 0.204 45 G HA3 0.190 4.151 3.960 0.002 0.000 0.204 45 G C 1.596 176.532 174.900 0.060 0.000 1.026 45 G CA 0.715 45.855 45.100 0.067 0.000 0.658 45 G HN 2.674 nan 8.290 nan 0.000 0.499 46 G N 0.684 109.541 108.800 0.095 0.000 2.596 46 G HA2 -0.366 3.596 3.960 0.002 0.000 0.304 46 G HA3 -0.366 3.596 3.960 0.002 0.000 0.304 46 G C 0.800 175.758 174.900 0.097 0.000 1.189 46 G CA 1.247 46.413 45.100 0.109 0.000 0.986 46 G HN 1.229 nan 8.290 nan 0.000 0.548 47 R N 0.248 120.693 120.500 -0.092 0.000 2.343 47 R HA 0.245 4.587 4.340 0.002 0.000 0.202 47 R C 0.369 176.503 176.300 -0.277 0.000 1.023 47 R CA 0.175 56.025 56.100 -0.418 0.000 1.084 47 R CB -0.306 29.679 30.300 -0.525 0.000 0.956 47 R HN 0.314 nan 8.270 nan 0.000 0.478 48 L N 1.618 122.774 121.223 -0.112 0.000 2.356 48 L HA 0.310 4.651 4.340 0.002 0.000 0.264 48 L C -0.548 176.346 176.870 0.041 0.000 1.029 48 L CA -0.305 54.452 54.840 -0.138 0.000 0.897 48 L CB 1.181 43.101 42.059 -0.231 0.000 1.256 48 L HN 0.073 nan 8.230 nan 0.000 0.444 49 Q N 2.165 122.053 119.800 0.146 0.000 2.304 49 Q HA 0.441 4.782 4.340 0.002 0.000 0.270 49 Q C -1.279 174.809 176.000 0.147 0.000 1.035 49 Q CA -0.500 55.413 55.803 0.182 0.000 0.781 49 Q CB 2.469 31.379 28.738 0.287 0.000 1.261 49 Q HN 0.420 nan 8.270 nan 0.000 0.444 50 T N 3.574 118.188 114.554 0.101 0.000 2.758 50 T HA 0.476 4.828 4.350 0.002 0.000 0.285 50 T C -0.024 174.722 174.700 0.076 0.000 0.981 50 T CA -0.529 61.621 62.100 0.083 0.000 0.965 50 T CB 0.903 69.802 68.868 0.052 0.000 0.927 50 T HN 0.499 nan 8.240 nan 0.000 0.448 51 V N 1.322 121.295 119.914 0.097 0.000 3.093 51 V HA 0.863 4.984 4.120 0.002 0.000 0.320 51 V C -0.047 176.116 176.094 0.115 0.000 1.093 51 V CA -0.749 61.602 62.300 0.086 0.000 1.016 51 V CB 1.756 33.620 31.823 0.069 0.000 1.096 51 V HN 0.748 nan 8.190 nan 0.000 0.452 52 T N 1.272 115.881 114.554 0.092 0.000 2.856 52 T HA 0.820 5.171 4.350 0.002 0.000 0.283 52 T C 0.268 175.043 174.700 0.125 0.000 1.008 52 T CA 0.318 62.479 62.100 0.101 0.000 0.997 52 T CB 1.459 70.354 68.868 0.046 0.000 0.992 52 T HN 1.322 nan 8.240 nan 0.000 0.454 53 G N 0.435 109.348 108.800 0.188 0.000 3.291 53 G HA2 0.440 4.402 3.960 0.002 0.000 0.173 53 G HA3 0.440 4.402 3.960 0.002 0.000 0.173 53 G C -1.078 173.928 174.900 0.178 0.000 1.099 53 G CA -0.643 44.564 45.100 0.177 0.000 0.794 53 G HN 0.610 nan 8.290 nan 0.000 0.651 54 Y N 1.731 122.076 120.300 0.076 0.000 2.721 54 Y HA 0.163 4.714 4.550 0.001 0.000 0.329 54 Y C 1.376 177.316 175.900 0.067 0.000 1.211 54 Y CA 1.459 59.590 58.100 0.051 0.000 1.512 54 Y CB 0.120 38.600 38.460 0.033 0.000 1.249 54 Y HN 0.692 nan 8.280 nan 0.000 0.549 55 Q N 3.785 123.277 119.800 -0.513 0.000 2.480 55 Q HA -0.278 4.063 4.340 0.002 0.000 0.265 55 Q C 1.034 176.940 176.000 -0.156 0.000 1.072 55 Q CA 0.909 56.461 55.803 -0.419 0.000 1.018 55 Q CB -1.895 26.520 28.738 -0.539 0.000 1.433 55 Q HN 1.378 nan 8.270 nan 0.000 0.513 56 G N -0.057 108.700 108.800 -0.072 0.000 2.148 56 G HA2 -0.368 3.593 3.960 0.002 0.000 0.254 56 G HA3 -0.368 3.593 3.960 0.002 0.000 0.254 56 G C 0.141 175.032 174.900 -0.015 0.000 0.981 56 G CA 0.493 45.575 45.100 -0.031 0.000 0.670 56 G HN 0.368 nan 8.290 nan 0.000 0.528 57 R N 0.191 120.705 120.500 0.024 0.000 2.694 57 R HA 0.483 4.824 4.340 0.002 0.000 0.268 57 R C 0.446 176.664 176.300 -0.136 0.000 1.061 57 R CA 0.307 56.382 56.100 -0.042 0.000 1.133 57 R CB 0.500 30.850 30.300 0.083 0.000 1.020 57 R HN 0.268 nan 8.270 nan 0.000 0.475 58 K N 1.930 122.087 120.400 -0.405 0.000 2.267 58 K HA 0.437 4.759 4.320 0.002 0.000 0.246 58 K C -1.247 174.911 176.600 -0.736 0.000 0.954 58 K CA -0.747 55.332 56.287 -0.347 0.000 0.824 58 K CB 1.868 34.270 32.500 -0.164 0.000 1.167 58 K HN 0.391 nan 8.250 nan 0.000 0.431 59 Y N -0.361 119.958 120.300 0.032 0.000 2.544 59 Y HA 0.163 4.715 4.550 0.002 0.000 0.342 59 Y C -0.711 175.199 175.900 0.017 0.000 1.062 59 Y CA -1.162 56.959 58.100 0.034 0.000 1.023 59 Y CB 1.616 40.102 38.460 0.043 0.000 1.308 59 Y HN 0.450 nan 8.280 nan 0.000 0.457 60 D N 2.387 122.862 120.400 0.126 0.000 2.316 60 D HA 0.147 4.788 4.640 0.002 0.000 0.245 60 D C 0.498 176.885 176.300 0.146 0.000 1.171 60 D CA 0.121 54.176 54.000 0.092 0.000 0.856 60 D CB 1.979 42.783 40.800 0.008 0.000 1.090 60 D HN 0.537 nan 8.370 nan 0.000 0.476 61 I N 2.469 123.155 120.570 0.193 0.000 3.251 61 I HA 0.074 4.245 4.170 0.002 0.000 0.277 61 I C 1.379 177.763 176.117 0.445 0.000 1.268 61 I CA 0.509 61.951 61.300 0.237 0.000 1.449 61 I CB 0.174 38.259 38.000 0.142 0.000 1.083 61 I HN 0.402 nan 8.210 nan 0.000 0.464 62 G N -0.489 108.539 108.800 0.381 0.000 3.434 62 G HA2 0.546 4.507 3.960 0.002 0.000 0.192 62 G HA3 0.546 4.507 3.960 0.002 0.000 0.192 62 G C 0.008 174.926 174.900 0.029 0.000 1.704 62 G CA 0.121 45.337 45.100 0.193 0.000 0.936 62 G HN 0.384 nan 8.290 nan 0.000 0.623 63 A N -0.964 121.785 122.820 -0.118 0.000 2.466 63 A HA 0.520 4.841 4.320 0.002 0.000 0.238 63 A C 1.032 178.653 177.584 0.063 0.000 1.074 63 A CA 1.016 52.996 52.037 -0.094 0.000 0.774 63 A CB 0.875 19.640 19.000 -0.392 0.000 1.015 63 A HN 0.612 nan 8.150 nan 0.000 0.498 64 S N -0.281 115.462 115.700 0.071 0.000 2.769 64 S HA 0.223 4.694 4.470 0.002 0.000 0.258 64 S C -0.173 174.031 174.600 -0.660 0.000 1.080 64 S CA -0.262 57.717 58.200 -0.369 0.000 0.943 64 S CB 0.107 62.869 63.200 -0.730 0.000 0.893 64 S HN 0.706 nan 8.310 nan 0.000 0.490 65 W N 2.153 123.350 121.300 -0.172 0.000 2.706 65 W HA 0.497 5.158 4.660 0.002 0.000 0.346 65 W C -0.516 175.710 176.519 -0.489 0.000 1.071 65 W CA -0.586 56.535 57.345 -0.373 0.000 1.206 65 W CB 0.401 29.640 29.460 -0.367 0.000 1.413 65 W HN 0.146 nan 8.180 nan 0.000 0.542 66 H N 1.937 120.916 119.070 -0.151 0.000 2.552 66 H HA 0.241 4.798 4.556 0.002 0.000 0.311 66 H C 0.172 175.354 175.328 -0.244 0.000 1.071 66 H CA 0.199 56.144 56.048 -0.171 0.000 1.307 66 H CB 0.874 30.463 29.762 -0.289 0.000 1.416 66 H HN 0.209 nan 8.280 nan 0.000 0.464 67 H N 1.540 120.741 119.070 0.218 0.000 2.559 67 H HA 0.055 4.612 4.556 0.002 0.000 0.343 67 H C 0.253 175.608 175.328 0.046 0.000 1.209 67 H CA -0.477 55.678 56.048 0.178 0.000 1.287 67 H CB 1.041 30.979 29.762 0.293 0.000 1.650 67 H HN 0.651 nan 8.280 nan 0.000 0.567 68 D N 0.654 121.177 120.400 0.204 0.000 2.686 68 D HA -0.157 4.484 4.640 0.002 0.000 0.235 68 D C 1.192 177.433 176.300 -0.098 0.000 1.160 68 D CA 1.107 55.141 54.000 0.056 0.000 0.645 68 D CB -1.559 39.284 40.800 0.070 0.000 1.039 68 D HN 0.774 nan 8.370 nan 0.000 0.423 69 T N -2.840 111.614 114.554 -0.167 0.000 2.918 69 T HA -0.166 4.186 4.350 0.002 0.000 0.271 69 T C 2.099 176.779 174.700 -0.034 0.000 1.104 69 T CA 0.630 62.537 62.100 -0.321 0.000 1.114 69 T CB -0.056 68.458 68.868 -0.591 0.000 0.855 69 T HN 0.444 nan 8.240 nan 0.000 0.518 70 L N 1.372 122.594 121.223 -0.002 0.000 2.291 70 L HA 0.033 4.374 4.340 0.002 0.000 0.214 70 L C 2.742 179.623 176.870 0.018 0.000 1.120 70 L CA 1.532 56.392 54.840 0.034 0.000 0.799 70 L CB -0.490 41.588 42.059 0.032 0.000 0.925 70 L HN 0.597 nan 8.230 nan 0.000 0.446 71 T N -6.712 107.823 114.554 -0.031 0.000 3.009 71 T HA 0.053 4.404 4.350 0.002 0.000 0.267 71 T C 0.841 175.445 174.700 -0.159 0.000 0.942 71 T CA -0.424 61.644 62.100 -0.054 0.000 0.883 71 T CB -0.235 68.620 68.868 -0.023 0.000 1.192 71 T HN -0.025 nan 8.240 nan 0.000 0.524 72 N N 4.477 122.994 118.700 -0.305 0.000 2.394 72 N HA 0.038 4.779 4.740 0.002 0.000 0.282 72 N C -1.188 174.142 175.510 -0.299 0.000 1.351 72 N CA -1.093 51.610 53.050 -0.578 0.000 0.936 72 N CB 1.230 39.411 38.487 -0.510 0.000 1.274 72 N HN 0.229 nan 8.380 nan 0.000 0.489 73 P HA -0.184 nan 4.420 nan 0.000 0.218 73 P C 1.547 178.550 177.300 -0.495 0.000 1.148 73 P CA 0.619 63.595 63.100 -0.208 0.000 0.822 73 P CB 0.387 32.109 31.700 0.036 0.000 0.784 74 L N -1.069 119.701 121.223 -0.755 0.000 2.109 74 L HA -0.016 4.325 4.340 0.002 0.000 0.207 74 L C 2.419 178.988 176.870 -0.501 0.000 1.086 74 L CA 1.479 55.753 54.840 -0.942 0.000 0.760 74 L CB -1.609 39.895 42.059 -0.925 0.000 0.910 74 L HN -0.200 nan 8.230 nan 0.000 0.437 75 F N -0.292 119.333 119.950 -0.543 0.000 2.146 75 F HA -0.139 4.389 4.527 0.002 0.000 0.298 75 F C 1.964 177.487 175.800 -0.462 0.000 1.096 75 F CA 1.571 59.151 58.000 -0.700 0.000 1.275 75 F CB -0.362 38.233 39.000 -0.676 0.000 1.008 75 F HN 0.051 nan 8.300 nan 0.000 0.480 76 L N 0.158 121.066 121.223 -0.525 0.000 2.042 76 L HA -0.223 4.118 4.340 0.002 0.000 0.210 76 L C 2.455 179.093 176.870 -0.386 0.000 1.076 76 L CA 1.722 56.287 54.840 -0.457 0.000 0.749 76 L CB -0.833 41.110 42.059 -0.194 0.000 0.893 76 L HN 0.202 nan 8.230 nan 0.000 0.432 77 E N -0.152 119.866 120.200 -0.304 0.000 2.023 77 E HA -0.224 4.127 4.350 0.002 0.000 0.196 77 E C 2.125 178.619 176.600 -0.178 0.000 1.003 77 E CA 1.174 57.470 56.400 -0.173 0.000 0.809 77 E CB -0.058 29.586 29.700 -0.094 0.000 0.755 77 E HN 0.405 nan 8.360 nan 0.000 0.449 78 E N 0.265 120.325 120.200 -0.234 0.000 2.171 78 E HA -0.214 4.137 4.350 0.002 0.000 0.197 78 E C 1.916 178.487 176.600 -0.048 0.000 0.997 78 E CA 1.052 57.384 56.400 -0.113 0.000 0.810 78 E CB -0.203 29.444 29.700 -0.088 0.000 0.738 78 E HN 0.252 nan 8.360 nan 0.000 0.467 79 A N 0.845 123.499 122.820 -0.276 0.000 1.968 79 A HA -0.183 4.138 4.320 0.002 0.000 0.217 79 A C 2.156 179.704 177.584 -0.060 0.000 1.169 79 A CA 1.480 53.435 52.037 -0.136 0.000 0.638 79 A CB -0.275 18.428 19.000 -0.495 0.000 0.812 79 A HN 0.119 nan 8.150 nan 0.000 0.446 80 Q N 0.155 119.895 119.800 -0.100 0.000 2.079 80 Q HA -0.004 4.337 4.340 0.002 0.000 0.200 80 Q C 1.804 177.786 176.000 -0.030 0.000 0.974 80 Q CA 1.524 57.296 55.803 -0.052 0.000 0.840 80 Q CB -0.503 28.204 28.738 -0.051 0.000 0.898 80 Q HN 0.646 nan 8.270 nan 0.000 0.430 81 L N -0.435 120.769 121.223 -0.031 0.000 2.131 81 L HA -0.119 4.222 4.340 0.002 0.000 0.210 81 L C 2.308 179.160 176.870 -0.031 0.000 1.092 81 L CA 1.210 56.036 54.840 -0.023 0.000 0.759 81 L CB -0.405 41.645 42.059 -0.016 0.000 0.903 81 L HN 0.139 nan 8.230 nan 0.000 0.435 82 S N -0.140 115.537 115.700 -0.038 0.000 2.395 82 S HA -0.074 4.397 4.470 0.002 0.000 0.225 82 S C 1.812 176.388 174.600 -0.040 0.000 1.027 82 S CA 0.609 58.767 58.200 -0.071 0.000 0.965 82 S CB -0.111 62.997 63.200 -0.152 0.000 0.812 82 S HN 0.214 nan 8.310 nan 0.000 0.482 83 L N 2.452 123.667 121.223 -0.014 0.000 2.131 83 L HA 0.053 4.394 4.340 0.002 0.000 0.210 83 L C 1.088 177.953 176.870 -0.010 0.000 1.092 83 L CA 1.560 56.398 54.840 -0.003 0.000 0.759 83 L CB -0.425 41.638 42.059 0.005 0.000 0.903 83 L HN 0.171 nan 8.230 nan 0.000 0.435 84 N N -0.503 118.189 118.700 -0.014 0.000 2.280 84 N HA 0.016 4.758 4.740 0.002 0.000 0.192 84 N C 0.260 175.760 175.510 -0.016 0.000 1.109 84 N CA 0.898 53.941 53.050 -0.013 0.000 0.855 84 N CB 0.232 38.713 38.487 -0.010 0.000 0.974 84 N HN 0.608 nan 8.380 nan 0.000 0.482 85 D N -2.510 117.876 120.400 -0.023 0.000 2.480 85 D HA 0.098 4.739 4.640 0.002 0.000 0.276 85 D C 1.084 177.364 176.300 -0.033 0.000 1.294 85 D CA 0.415 54.400 54.000 -0.026 0.000 0.829 85 D CB -0.360 40.424 40.800 -0.027 0.000 1.242 85 D HN 0.009 nan 8.370 nan 0.000 0.513 86 G N 1.084 109.861 108.800 -0.038 0.000 2.166 86 G HA2 -0.366 3.596 3.960 0.002 0.000 0.260 86 G HA3 -0.366 3.596 3.960 0.002 0.000 0.260 86 G C 0.158 175.020 174.900 -0.063 0.000 0.986 86 G CA 0.281 45.355 45.100 -0.045 0.000 0.683 86 G HN 0.466 nan 8.290 nan 0.000 0.527 87 R N 0.670 121.125 120.500 -0.075 0.000 2.340 87 R HA 0.415 4.756 4.340 0.002 0.000 0.300 87 R C 0.148 176.359 176.300 -0.149 0.000 1.069 87 R CA -0.074 55.973 56.100 -0.090 0.000 0.984 87 R CB 0.591 30.847 30.300 -0.073 0.000 1.003 87 R HN 0.148 nan 8.270 nan 0.000 0.459 88 T N 3.914 118.380 114.554 -0.148 0.000 2.769 88 T HA 0.098 4.450 4.350 0.002 0.000 0.293 88 T C 1.141 175.694 174.700 -0.245 0.000 0.931 88 T CA 0.181 62.150 62.100 -0.218 0.000 1.139 88 T CB 0.610 69.398 68.868 -0.133 0.000 0.881 88 T HN 0.465 nan 8.240 nan 0.000 0.532 89 R N 1.468 121.707 120.500 -0.436 0.000 2.344 89 R HA 0.274 4.615 4.340 0.002 0.000 0.209 89 R C -0.192 176.026 176.300 -0.136 0.000 0.886 89 R CA 0.260 56.199 56.100 -0.270 0.000 1.040 89 R CB 0.579 30.777 30.300 -0.171 0.000 1.114 89 R HN 0.675 nan 8.270 nan 0.000 0.547 90 F N -3.190 116.781 119.950 0.034 0.000 2.831 90 F HA 0.685 5.213 4.527 0.002 0.000 0.318 90 F C -1.268 174.592 175.800 0.100 0.000 1.174 90 F CA -1.655 56.371 58.000 0.043 0.000 0.918 90 F CB 1.095 40.157 39.000 0.103 0.000 1.364 90 F HN -0.349 nan 8.300 nan 0.000 0.475 91 V N 0.979 121.161 119.914 0.446 0.000 2.852 91 V HA 0.508 4.629 4.120 0.002 0.000 0.300 91 V C -1.834 174.435 176.094 0.291 0.000 1.205 91 V CA -0.862 61.669 62.300 0.386 0.000 0.940 91 V CB 1.901 33.893 31.823 0.282 0.000 1.047 91 V HN 0.680 nan 8.190 nan 0.000 0.429 92 F N 5.960 126.091 119.950 0.301 0.000 2.462 92 F HA 0.362 4.890 4.527 0.002 0.000 0.360 92 F C 1.142 177.061 175.800 0.198 0.000 1.134 92 F CA -0.277 57.860 58.000 0.228 0.000 1.148 92 F CB 0.739 39.839 39.000 0.167 0.000 1.147 92 F HN 0.685 nan 8.300 nan 0.000 0.550 93 D N 0.718 121.309 120.400 0.319 0.000 2.559 93 D HA 0.047 4.689 4.640 0.002 0.000 0.234 93 D C -0.197 176.233 176.300 0.215 0.000 1.226 93 D CA -0.272 53.865 54.000 0.229 0.000 0.830 93 D CB -0.301 40.581 40.800 0.137 0.000 1.028 93 D HN 0.212 nan 8.370 nan 0.000 0.492 94 D N 0.580 121.126 120.400 0.244 0.000 2.357 94 D HA 0.350 4.991 4.640 0.002 0.000 0.242 94 D C -0.037 176.371 176.300 0.180 0.000 1.153 94 D CA 0.482 54.613 54.000 0.219 0.000 0.918 94 D CB 1.380 42.319 40.800 0.231 0.000 1.181 94 D HN 0.149 nan 8.370 nan 0.000 0.435 95 D N -0.707 119.810 120.400 0.194 0.000 2.792 95 D HA 0.102 4.743 4.640 0.002 0.000 0.335 95 D C -1.341 175.098 176.300 0.232 0.000 1.353 95 D CA -0.541 53.551 54.000 0.153 0.000 0.839 95 D CB 1.007 41.847 40.800 0.066 0.000 1.396 95 D HN 0.062 nan 8.370 nan 0.000 0.479 96 N N 0.976 119.787 118.700 0.184 0.000 2.408 96 N HA 0.207 4.948 4.740 0.002 0.000 0.257 96 N C -0.370 175.256 175.510 0.194 0.000 1.064 96 N CA -0.060 53.136 53.050 0.244 0.000 0.952 96 N CB 0.055 38.689 38.487 0.245 0.000 1.093 96 N HN 0.174 nan 8.380 nan 0.000 0.490 97 F N 1.806 121.688 119.950 -0.114 0.000 2.572 97 F HA 0.163 4.692 4.527 0.002 0.000 0.370 97 F C 1.260 176.805 175.800 -0.424 0.000 1.103 97 F CA -0.081 57.732 58.000 -0.313 0.000 1.286 97 F CB 0.370 39.056 39.000 -0.524 0.000 1.105 97 F HN 0.230 nan 8.300 nan 0.000 0.583 98 I N 4.569 124.958 120.570 -0.301 0.000 2.339 98 I HA 0.196 4.367 4.170 0.002 0.000 0.290 98 I C -0.985 174.960 176.117 -0.288 0.000 0.994 98 I CA -0.646 60.517 61.300 -0.227 0.000 1.191 98 I CB 0.828 38.738 38.000 -0.150 0.000 1.343 98 I HN 0.427 nan 8.210 nan 0.000 0.458 99 Y N 6.816 127.138 120.300 0.036 0.000 2.331 99 Y HA 0.569 5.121 4.550 0.002 0.000 0.338 99 Y C 0.069 175.999 175.900 0.050 0.000 0.992 99 Y CA -0.641 57.504 58.100 0.075 0.000 1.121 99 Y CB 1.464 39.969 38.460 0.074 0.000 1.184 99 Y HN 0.317 nan 8.280 nan 0.000 0.469 100 I N 2.833 123.547 120.570 0.241 0.000 2.498 100 I HA 0.273 4.444 4.170 0.002 0.000 0.290 100 I C -1.039 175.220 176.117 0.237 0.000 1.032 100 I CA -0.722 60.685 61.300 0.178 0.000 1.073 100 I CB 2.023 40.106 38.000 0.139 0.000 1.251 100 I HN 0.559 nan 8.210 nan 0.000 0.426 101 D N 3.627 124.106 120.400 0.132 0.000 2.198 101 D HA 0.134 4.775 4.640 0.002 0.000 0.247 101 D C 0.917 177.190 176.300 -0.044 0.000 1.010 101 D CA -0.394 53.663 54.000 0.095 0.000 0.880 101 D CB 1.815 42.628 40.800 0.022 0.000 1.209 101 D HN 0.636 nan 8.370 nan 0.000 0.451 102 E N 1.472 121.445 120.200 -0.377 0.000 2.110 102 E HA -0.205 4.147 4.350 0.002 0.000 0.193 102 E C 0.822 177.216 176.600 -0.343 0.000 0.988 102 E CA 1.184 57.147 56.400 -0.728 0.000 0.804 102 E CB 0.295 28.966 29.700 -1.715 0.000 0.745 102 E HN 0.481 nan 8.360 nan 0.000 0.458 103 E N 0.087 120.147 120.200 -0.232 0.000 2.075 103 E HA -0.074 4.277 4.350 0.002 0.000 0.190 103 E C 2.099 178.659 176.600 -0.067 0.000 0.969 103 E CA 0.559 56.884 56.400 -0.125 0.000 0.815 103 E CB -0.270 29.383 29.700 -0.078 0.000 0.776 103 E HN 0.156 nan 8.360 nan 0.000 0.457 104 R N 0.523 120.991 120.500 -0.054 0.000 2.275 104 R HA 0.041 4.382 4.340 0.002 0.000 0.199 104 R C 0.890 177.151 176.300 -0.063 0.000 0.989 104 R CA 0.882 56.942 56.100 -0.066 0.000 1.016 104 R CB 0.079 30.295 30.300 -0.140 0.000 0.918 104 R HN 0.230 nan 8.270 nan 0.000 0.473 105 G N 0.773 109.546 108.800 -0.046 0.000 2.498 105 G HA2 -0.326 3.635 3.960 0.002 0.000 0.245 105 G HA3 -0.326 3.635 3.960 0.002 0.000 0.245 105 G C -1.008 173.886 174.900 -0.009 0.000 1.204 105 G CA -0.161 44.929 45.100 -0.016 0.000 0.933 105 G HN 0.357 nan 8.290 nan 0.000 0.574 106 R N 0.438 120.937 120.500 -0.001 0.000 2.401 106 R HA 0.362 4.704 4.340 0.002 0.000 0.299 106 R C 1.142 177.435 176.300 -0.011 0.000 1.064 106 R CA 0.539 56.646 56.100 0.011 0.000 1.000 106 R CB 0.868 31.176 30.300 0.014 0.000 0.973 106 R HN 1.160 nan 8.270 nan 0.000 0.438 107 V N -1.247 118.668 119.914 0.002 0.000 3.159 107 V HA 0.099 4.221 4.120 0.002 0.000 0.333 107 V C -0.028 176.079 176.094 0.022 0.000 1.424 107 V CA -0.570 61.703 62.300 -0.045 0.000 1.125 107 V CB 0.031 31.750 31.823 -0.174 0.000 1.075 107 V HN 0.667 nan 8.190 nan 0.000 0.482 108 D N -0.044 120.394 120.400 0.063 0.000 2.264 108 D HA 0.194 4.836 4.640 0.002 0.000 0.250 108 D C 0.338 176.642 176.300 0.006 0.000 1.113 108 D CA -0.105 53.911 54.000 0.027 0.000 0.871 108 D CB 0.508 41.291 40.800 -0.028 0.000 1.167 108 D HN 0.568 nan 8.370 nan 0.000 0.447 109 H N -1.232 117.905 119.070 0.111 0.000 2.921 109 H HA -0.187 4.370 4.556 0.002 0.000 0.281 109 H C -0.096 175.261 175.328 0.049 0.000 1.165 109 H CA 0.722 56.814 56.048 0.073 0.000 1.151 109 H CB -0.784 29.020 29.762 0.071 0.000 1.311 109 H HN 0.566 nan 8.280 nan 0.000 0.361 110 D N 1.724 122.204 120.400 0.132 0.000 2.450 110 D HA -0.026 4.615 4.640 0.002 0.000 0.247 110 D C 1.273 177.618 176.300 0.074 0.000 1.162 110 D CA 0.574 54.620 54.000 0.076 0.000 0.879 110 D CB 0.763 41.581 40.800 0.030 0.000 1.163 110 D HN 0.672 nan 8.370 nan 0.000 0.472 111 K N 2.037 122.473 120.400 0.061 0.000 2.442 111 K HA -0.179 4.143 4.320 0.002 0.000 0.199 111 K C 1.321 177.947 176.600 0.044 0.000 1.044 111 K CA 1.526 57.842 56.287 0.049 0.000 0.941 111 K CB 0.029 32.551 32.500 0.038 0.000 0.759 111 K HN 0.409 nan 8.250 nan 0.000 0.472 112 E N 1.478 121.704 120.200 0.043 0.000 2.391 112 E HA 0.197 4.548 4.350 0.002 0.000 0.206 112 E C 1.827 178.458 176.600 0.052 0.000 0.851 112 E CA 0.087 56.513 56.400 0.043 0.000 1.059 112 E CB -0.394 29.328 29.700 0.037 0.000 1.065 112 E HN 0.260 nan 8.360 nan 0.000 0.512 113 L N -0.034 121.219 121.223 0.051 0.000 2.109 113 L HA 0.190 4.531 4.340 0.002 0.000 0.207 113 L C 0.949 177.863 176.870 0.072 0.000 1.086 113 L CA 0.574 55.451 54.840 0.063 0.000 0.760 113 L CB -0.260 41.819 42.059 0.034 0.000 0.910 113 L HN 0.310 nan 8.230 nan 0.000 0.437 114 L N 0.215 121.481 121.223 0.071 0.000 3.833 114 L HA -0.288 4.053 4.340 0.002 0.000 0.447 114 L C 1.409 178.327 176.870 0.079 0.000 1.213 114 L CA -0.241 54.647 54.840 0.080 0.000 0.801 114 L CB -1.497 40.603 42.059 0.070 0.000 1.676 114 L HN 0.330 nan 8.230 nan 0.000 0.883 115 L N -0.592 120.671 121.223 0.068 0.000 1.989 115 L HA -0.233 4.108 4.340 0.002 0.000 0.211 115 L C 2.309 179.201 176.870 0.035 0.000 1.071 115 L CA 2.047 56.912 54.840 0.042 0.000 0.749 115 L CB -0.208 41.841 42.059 -0.016 0.000 0.890 115 L HN 0.415 nan 8.230 nan 0.000 0.431 116 E N 0.440 120.673 120.200 0.055 0.000 2.118 116 E HA -0.205 4.147 4.350 0.002 0.000 0.195 116 E C 2.106 178.739 176.600 0.054 0.000 0.992 116 E CA 1.235 57.673 56.400 0.063 0.000 0.804 116 E CB -0.336 29.447 29.700 0.139 0.000 0.741 116 E HN 0.459 nan 8.360 nan 0.000 0.458 117 I N 0.460 121.067 120.570 0.062 0.000 2.226 117 I HA -0.229 3.942 4.170 0.002 0.000 0.245 117 I C 2.268 178.410 176.117 0.041 0.000 1.100 117 I CA 1.164 62.491 61.300 0.046 0.000 1.374 117 I CB -0.457 37.572 38.000 0.049 0.000 1.057 117 I HN 0.111 nan 8.210 nan 0.000 0.413 118 V N -1.882 118.066 119.914 0.057 0.000 2.871 118 V HA -0.172 3.949 4.120 0.002 0.000 0.256 118 V C 1.982 178.071 176.094 -0.009 0.000 1.082 118 V CA 1.885 64.224 62.300 0.065 0.000 1.105 118 V CB -0.720 31.184 31.823 0.135 0.000 0.713 118 V HN 0.337 nan 8.190 nan 0.000 0.473 119 D N 2.262 122.665 120.400 0.005 0.000 2.117 119 D HA -0.147 4.494 4.640 0.002 0.000 0.197 119 D C 2.157 178.444 176.300 -0.020 0.000 0.987 119 D CA 2.105 56.108 54.000 0.004 0.000 0.829 119 D CB -0.460 40.382 40.800 0.070 0.000 0.961 119 D HN 0.591 nan 8.370 nan 0.000 0.460 120 N N 0.378 119.070 118.700 -0.015 0.000 2.166 120 N HA -0.178 4.563 4.740 0.002 0.000 0.186 120 N C 1.883 177.354 175.510 -0.065 0.000 1.019 120 N CA 1.543 54.571 53.050 -0.038 0.000 0.856 120 N CB -0.813 37.660 38.487 -0.024 0.000 0.993 120 N HN 0.484 nan 8.380 nan 0.000 0.426 121 E N -1.084 119.088 120.200 -0.048 0.000 2.106 121 E HA -0.146 4.205 4.350 0.002 0.000 0.192 121 E C 2.033 178.573 176.600 -0.100 0.000 0.984 121 E CA 0.887 57.273 56.400 -0.022 0.000 0.806 121 E CB -0.108 29.628 29.700 0.061 0.000 0.750 121 E HN 0.457 nan 8.360 nan 0.000 0.458 122 M N 1.052 120.463 119.600 -0.315 0.000 2.065 122 M HA -0.187 4.295 4.480 0.002 0.000 0.259 122 M C 2.543 178.722 176.300 -0.201 0.000 1.071 122 M CA 2.273 57.277 55.300 -0.493 0.000 1.109 122 M CB -1.073 31.262 32.600 -0.442 0.000 1.313 122 M HN 0.149 nan 8.290 nan 0.000 0.408 123 S N -0.325 115.201 115.700 -0.291 0.000 2.383 123 S HA -0.198 4.273 4.470 0.002 0.000 0.229 123 S C 1.885 176.214 174.600 -0.451 0.000 1.030 123 S CA 1.669 59.448 58.200 -0.700 0.000 1.002 123 S CB -0.527 62.326 63.200 -0.579 0.000 0.829 123 S HN 0.376 nan 8.310 nan 0.000 0.467 124 K N 1.357 121.631 120.400 -0.210 0.000 2.097 124 K HA 0.033 4.355 4.320 0.002 0.000 0.205 124 K C 1.701 178.255 176.600 -0.076 0.000 1.050 124 K CA 1.104 57.317 56.287 -0.123 0.000 0.938 124 K CB -0.883 31.585 32.500 -0.052 0.000 0.718 124 K HN 0.386 nan 8.250 nan 0.000 0.442 125 F N 0.796 120.661 119.950 -0.142 0.000 2.126 125 F HA -0.099 4.429 4.527 0.002 0.000 0.299 125 F C 1.816 177.543 175.800 -0.122 0.000 1.096 125 F CA 1.686 59.643 58.000 -0.071 0.000 1.255 125 F CB -0.807 38.208 39.000 0.025 0.000 0.997 125 F HN 0.070 nan 8.300 nan 0.000 0.479 126 A N 0.137 122.729 122.820 -0.379 0.000 1.877 126 A HA -0.244 4.077 4.320 0.002 0.000 0.216 126 A C 2.301 179.675 177.584 -0.349 0.000 1.186 126 A CA 1.758 53.543 52.037 -0.421 0.000 0.620 126 A CB -1.168 17.721 19.000 -0.184 0.000 0.822 126 A HN 0.600 nan 8.150 nan 0.000 0.443 127 E N -0.125 119.928 120.200 -0.246 0.000 2.085 127 E HA -0.185 4.166 4.350 0.002 0.000 0.194 127 E C 1.779 178.311 176.600 -0.113 0.000 0.994 127 E CA 1.261 57.589 56.400 -0.120 0.000 0.801 127 E CB -0.210 29.417 29.700 -0.122 0.000 0.743 127 E HN 0.635 nan 8.360 nan 0.000 0.453 128 L N 0.478 121.598 121.223 -0.173 0.000 2.465 128 L HA -0.074 4.267 4.340 0.002 0.000 0.224 128 L C 2.313 179.115 176.870 -0.113 0.000 1.145 128 L CA 0.458 55.242 54.840 -0.094 0.000 0.834 128 L CB -0.090 41.922 42.059 -0.079 0.000 0.944 128 L HN 0.120 nan 8.230 nan 0.000 0.451 129 E N 0.133 120.072 120.200 -0.434 0.000 2.076 129 E HA -0.073 4.278 4.350 0.002 0.000 0.190 129 E C 1.566 177.859 176.600 -0.512 0.000 0.979 129 E CA 1.499 57.473 56.400 -0.710 0.000 0.807 129 E CB 0.118 29.067 29.700 -1.252 0.000 0.761 129 E HN 0.390 nan 8.360 nan 0.000 0.454 130 F N -1.625 118.377 119.950 0.085 0.000 2.480 130 F HA 0.248 4.776 4.527 0.002 0.000 0.258 130 F C 1.303 177.188 175.800 0.142 0.000 0.941 130 F CA 0.135 58.222 58.000 0.146 0.000 1.085 130 F CB -0.998 38.041 39.000 0.066 0.000 1.222 130 F HN -0.013 nan 8.300 nan 0.000 0.724 131 H N 0.881 120.102 119.070 0.251 0.000 3.103 131 H HA 0.275 4.832 4.556 0.002 0.000 0.245 131 H C 1.134 176.409 175.328 -0.089 0.000 0.777 131 H CA 1.248 57.338 56.048 0.069 0.000 1.463 131 H CB -1.481 28.295 29.762 0.023 0.000 1.332 131 H HN 0.866 nan 8.280 nan 0.000 0.489 132 Q N 0.564 120.328 119.800 -0.059 0.000 2.342 132 Q HA -0.179 4.162 4.340 0.002 0.000 0.196 132 Q C 0.428 176.330 176.000 -0.163 0.000 0.629 132 Q CA 1.852 57.578 55.803 -0.128 0.000 1.365 132 Q CB -2.679 nan 28.738 nan 0.000 1.406 132 Q HN 1.351 nan 8.270 nan 0.000 0.840 133 H N -1.226 117.875 119.070 0.052 0.000 2.488 133 H HA 0.809 5.366 4.556 0.002 0.000 0.347 133 H C 0.246 175.606 175.328 0.053 0.000 1.174 133 H CA -0.515 55.562 56.048 0.049 0.000 1.307 133 H CB 1.300 31.097 29.762 0.058 0.000 1.517 133 H HN 0.529 nan 8.280 nan 0.000 0.554 134 L N 0.090 121.429 121.223 0.192 0.000 2.356 134 L HA 0.310 4.651 4.340 0.002 0.000 0.277 134 L C 0.696 177.622 176.870 0.093 0.000 0.996 134 L CA -0.479 54.428 54.840 0.113 0.000 0.822 134 L CB 1.990 44.095 42.059 0.076 0.000 1.256 134 L HN 0.973 nan 8.230 nan 0.000 0.413 135 G N 2.881 111.728 108.800 0.078 0.000 2.212 135 G HA2 -0.186 3.775 3.960 0.002 0.000 0.255 135 G HA3 -0.186 3.775 3.960 0.002 0.000 0.255 135 G C -0.391 174.548 174.900 0.064 0.000 1.062 135 G CA -0.168 44.968 45.100 0.060 0.000 0.815 135 G HN 0.358 nan 8.290 nan 0.000 0.497 136 V N 0.677 120.649 119.914 0.096 0.000 2.394 136 V HA 0.662 4.784 4.120 0.002 0.000 0.282 136 V C 1.189 177.361 176.094 0.129 0.000 1.031 136 V CA 0.011 62.380 62.300 0.115 0.000 0.881 136 V CB 1.528 33.464 31.823 0.188 0.000 0.982 136 V HN 0.707 nan 8.190 nan 0.000 0.451 137 S N 2.481 118.246 115.700 0.109 0.000 2.566 137 S HA -0.031 4.440 4.470 0.002 0.000 0.280 137 S C 0.974 175.658 174.600 0.139 0.000 1.343 137 S CA 0.217 58.476 58.200 0.098 0.000 1.036 137 S CB 0.786 64.034 63.200 0.080 0.000 0.866 137 S HN 0.921 nan 8.310 nan 0.000 0.526 138 D N 1.671 122.116 120.400 0.076 0.000 2.146 138 D HA 0.002 4.643 4.640 0.002 0.000 0.209 138 D C 1.095 177.462 176.300 0.110 0.000 0.973 138 D CA 1.429 55.448 54.000 0.032 0.000 0.860 138 D CB -0.675 40.106 40.800 -0.032 0.000 1.015 138 D HN 1.134 nan 8.370 nan 0.000 0.465 139 C N -0.025 119.335 119.300 0.100 0.000 0.168 139 C HA -0.055 4.407 4.460 0.002 0.000 0.017 139 C C 0.526 175.593 174.990 0.128 0.000 0.171 139 C CA -0.752 58.335 59.018 0.115 0.000 0.499 139 C CB -2.223 25.604 27.740 0.145 0.000 3.212 139 C HN 0.598 nan 8.230 nan 0.000 1.118 140 S N 2.160 117.935 115.700 0.126 0.000 2.652 140 S HA 0.552 5.023 4.470 0.002 0.000 0.270 140 S C 0.492 175.237 174.600 0.242 0.000 1.243 140 S CA 0.154 58.447 58.200 0.156 0.000 0.999 140 S CB 0.926 64.197 63.200 0.117 0.000 0.973 140 S HN 1.914 nan 8.310 nan 0.000 0.544 141 F N 1.184 121.208 119.950 0.124 0.000 2.126 141 F HA -0.107 4.421 4.527 0.002 0.000 0.299 141 F C 1.897 177.801 175.800 0.173 0.000 1.096 141 F CA 1.659 59.761 58.000 0.170 0.000 1.255 141 F CB -0.279 38.819 39.000 0.163 0.000 0.997 141 F HN 0.744 nan 8.300 nan 0.000 0.479 142 F N 2.003 121.838 119.950 -0.193 0.000 2.120 142 F HA -0.263 4.265 4.527 0.002 0.000 0.300 142 F C 2.546 178.107 175.800 -0.399 0.000 1.095 142 F CA 2.668 60.287 58.000 -0.635 0.000 1.249 142 F CB -1.335 37.018 39.000 -1.078 0.000 0.995 142 F HN 0.138 nan 8.300 nan 0.000 0.480 143 Q N 0.769 120.342 119.800 -0.379 0.000 2.124 143 Q HA -0.125 4.216 4.340 0.002 0.000 0.202 143 Q C 2.138 178.017 176.000 -0.203 0.000 0.977 143 Q CA 1.748 57.342 55.803 -0.350 0.000 0.850 143 Q CB -1.427 27.290 28.738 -0.036 0.000 0.901 143 Q HN 0.615 nan 8.270 nan 0.000 0.429 144 L N 0.174 121.382 121.223 -0.025 0.000 2.046 144 L HA -0.084 4.257 4.340 0.002 0.000 0.208 144 L C 2.516 179.458 176.870 0.119 0.000 1.077 144 L CA 1.791 56.724 54.840 0.155 0.000 0.747 144 L CB -0.388 41.888 42.059 0.362 0.000 0.896 144 L HN 0.296 nan 8.230 nan 0.000 0.432 145 V N -0.676 119.179 119.914 -0.098 0.000 2.515 145 V HA -0.260 3.862 4.120 0.002 0.000 0.250 145 V C 2.519 178.582 176.094 -0.051 0.000 1.058 145 V CA 1.411 63.681 62.300 -0.050 0.000 1.064 145 V CB -0.585 31.154 31.823 -0.139 0.000 0.675 145 V HN 0.398 nan 8.190 nan 0.000 0.461 146 M N -0.306 119.127 119.600 -0.277 0.000 2.200 146 M HA -0.105 4.377 4.480 0.002 0.000 0.265 146 M C 2.137 178.371 176.300 -0.111 0.000 1.066 146 M CA 1.558 56.720 55.300 -0.231 0.000 1.127 146 M CB -1.062 31.269 32.600 -0.448 0.000 1.379 146 M HN 0.306 nan 8.290 nan 0.000 0.420 147 K N -0.547 119.822 120.400 -0.051 0.000 2.057 147 K HA -0.202 4.119 4.320 0.002 0.000 0.206 147 K C 2.155 178.706 176.600 -0.083 0.000 1.050 147 K CA 1.149 57.440 56.287 0.007 0.000 0.935 147 K CB -0.254 32.331 32.500 0.141 0.000 0.715 147 K HN 0.208 nan 8.250 nan 0.000 0.439 148 Y N 1.667 121.816 120.300 -0.251 0.000 2.097 148 Y HA -0.235 4.316 4.550 0.002 0.000 0.282 148 Y C 1.661 177.329 175.900 -0.386 0.000 1.152 148 Y CA 1.699 59.370 58.100 -0.715 0.000 1.136 148 Y CB -0.438 37.687 38.460 -0.558 0.000 0.975 148 Y HN -0.001 nan 8.280 nan 0.000 0.498 149 L N -0.528 120.493 121.223 -0.337 0.000 2.129 149 L HA -0.237 4.104 4.340 0.002 0.000 0.212 149 L C 2.417 179.084 176.870 -0.339 0.000 1.087 149 L CA 1.174 55.815 54.840 -0.333 0.000 0.757 149 L CB -0.667 41.357 42.059 -0.058 0.000 0.896 149 L HN 0.350 nan 8.230 nan 0.000 0.434 150 L N -0.358 120.703 121.223 -0.271 0.000 2.023 150 L HA -0.204 4.137 4.340 0.002 0.000 0.205 150 L C 2.591 179.319 176.870 -0.237 0.000 1.073 150 L CA 1.656 56.364 54.840 -0.221 0.000 0.745 150 L CB -0.529 41.439 42.059 -0.150 0.000 0.900 150 L HN 0.232 nan 8.230 nan 0.000 0.435 151 Q N -0.887 118.758 119.800 -0.258 0.000 2.364 151 Q HA -0.134 4.207 4.340 0.002 0.000 0.207 151 Q C 0.874 176.751 176.000 -0.205 0.000 0.970 151 Q CA 0.920 56.602 55.803 -0.202 0.000 0.888 151 Q CB 0.211 28.853 28.738 -0.160 0.000 0.951 151 Q HN 0.371 nan 8.270 nan 0.000 0.469 152 R N -0.269 120.020 120.500 -0.351 0.000 2.565 152 R HA 0.105 4.446 4.340 0.002 0.000 0.347 152 R C 1.502 177.632 176.300 -0.284 0.000 1.010 152 R CA 0.086 56.063 56.100 -0.205 0.000 1.126 152 R CB 0.112 30.218 30.300 -0.324 0.000 1.331 152 R HN 0.323 nan 8.270 nan 0.000 0.552 153 R N 0.896 121.198 120.500 -0.331 0.000 2.204 153 R HA -0.224 4.117 4.340 0.002 0.000 0.253 153 R C 1.510 177.592 176.300 -0.363 0.000 1.172 153 R CA 1.693 57.613 56.100 -0.299 0.000 0.994 153 R CB -0.422 29.721 30.300 -0.262 0.000 0.874 153 R HN 0.224 nan 8.270 nan 0.000 0.462 154 Q N 0.240 119.676 119.800 -0.606 0.000 2.369 154 Q HA -0.053 4.288 4.340 0.002 0.000 0.206 154 Q C 0.169 175.615 176.000 -0.923 0.000 0.963 154 Q CA 0.919 56.211 55.803 -0.852 0.000 0.894 154 Q CB 0.175 28.197 28.738 -1.194 0.000 0.965 154 Q HN 0.564 nan 8.270 nan 0.000 0.475 155 F N -0.044 119.851 119.950 -0.092 0.000 2.764 155 F HA 0.361 4.889 4.527 0.002 0.000 0.310 155 F C -0.475 175.296 175.800 -0.049 0.000 1.124 155 F CA -0.408 57.555 58.000 -0.062 0.000 1.252 155 F CB 0.704 39.670 39.000 -0.057 0.000 1.010 155 F HN -0.155 nan 8.300 nan 0.000 0.518 156 L N 1.042 122.264 121.223 -0.001 0.000 2.385 156 L HA 0.451 4.792 4.340 0.002 0.000 0.273 156 L C 0.422 177.290 176.870 -0.003 0.000 0.990 156 L CA -0.913 53.938 54.840 0.019 0.000 0.821 156 L CB 2.295 44.345 42.059 -0.016 0.000 1.279 156 L HN 0.137 nan 8.230 nan 0.000 0.412 157 T N -1.595 112.978 114.554 0.032 0.000 2.813 157 T HA 0.105 4.456 4.350 0.002 0.000 0.297 157 T C 0.923 175.636 174.700 0.023 0.000 1.036 157 T CA -0.200 61.914 62.100 0.024 0.000 1.044 157 T CB 0.823 69.718 68.868 0.046 0.000 0.993 157 T HN 0.648 nan 8.240 nan 0.000 0.535 158 N N 0.620 119.328 118.700 0.013 0.000 2.043 158 N HA -0.162 4.579 4.740 0.002 0.000 0.193 158 N C 1.210 176.748 175.510 0.048 0.000 1.037 158 N CA 1.531 54.587 53.050 0.010 0.000 0.851 158 N CB -0.217 38.271 38.487 0.002 0.000 1.027 158 N HN 0.662 nan 8.380 nan 0.000 0.422 159 D N 0.614 121.066 120.400 0.087 0.000 2.263 159 D HA -0.099 4.543 4.640 0.002 0.000 0.208 159 D C 1.878 178.308 176.300 0.217 0.000 0.971 159 D CA 0.847 54.949 54.000 0.170 0.000 0.867 159 D CB 0.003 40.929 40.800 0.211 0.000 0.929 159 D HN 0.344 nan 8.370 nan 0.000 0.492 160 Q N -0.313 119.580 119.800 0.154 0.000 2.049 160 Q HA 0.014 4.356 4.340 0.002 0.000 0.198 160 Q C 2.261 178.358 176.000 0.161 0.000 0.971 160 Q CA 0.615 56.516 55.803 0.164 0.000 0.833 160 Q CB 0.075 28.890 28.738 0.129 0.000 0.896 160 Q HN 0.338 nan 8.270 nan 0.000 0.434 161 I N 0.628 121.268 120.570 0.117 0.000 2.657 161 I HA -0.281 3.891 4.170 0.002 0.000 0.261 161 I C 2.508 178.766 176.117 0.234 0.000 1.212 161 I CA 0.946 62.328 61.300 0.138 0.000 1.453 161 I CB -0.238 37.777 38.000 0.026 0.000 1.092 161 I HN 0.187 nan 8.210 nan 0.000 0.452 162 R N 0.598 121.171 120.500 0.121 0.000 2.052 162 R HA -0.105 4.236 4.340 0.002 0.000 0.224 162 R C 2.276 178.491 176.300 -0.142 0.000 1.149 162 R CA 1.270 57.365 56.100 -0.008 0.000 0.962 162 R CB -0.305 29.826 30.300 -0.282 0.000 0.856 162 R HN 0.197 nan 8.270 nan 0.000 0.433 163 Y N 0.537 120.892 120.300 0.091 0.000 2.395 163 Y HA -0.087 4.464 4.550 0.002 0.000 0.293 163 Y C 2.031 177.950 175.900 0.031 0.000 1.123 163 Y CA 0.318 58.445 58.100 0.046 0.000 1.227 163 Y CB -0.058 38.423 38.460 0.034 0.000 1.012 163 Y HN 0.155 nan 8.280 nan 0.000 0.552 164 L N 2.116 123.455 121.223 0.193 0.000 2.042 164 L HA -0.098 4.244 4.340 0.002 0.000 0.210 164 L C -0.655 176.277 176.870 0.102 0.000 1.076 164 L CA 1.804 56.726 54.840 0.136 0.000 0.749 164 L CB -1.528 40.632 42.059 0.168 0.000 0.893 164 L HN -0.015 nan 8.230 nan 0.000 0.432 165 P HA -0.160 nan 4.420 nan 0.000 0.221 165 P C 1.101 178.375 177.300 -0.044 0.000 1.150 165 P CA 1.159 64.319 63.100 0.099 0.000 0.800 165 P CB -0.027 31.763 31.700 0.151 0.000 0.787 166 Q N -0.439 119.333 119.800 -0.047 0.000 2.245 166 Q HA 0.014 4.355 4.340 0.002 0.000 0.201 166 Q C 2.280 178.258 176.000 -0.036 0.000 0.955 166 Q CA 0.622 56.367 55.803 -0.096 0.000 0.870 166 Q CB -0.915 27.829 28.738 0.010 0.000 0.945 166 Q HN 0.319 nan 8.270 nan 0.000 0.461 167 L N -0.449 120.769 121.223 -0.008 0.000 2.131 167 L HA -0.101 4.241 4.340 0.002 0.000 0.206 167 L C 2.200 179.114 176.870 0.074 0.000 1.087 167 L CA 0.877 55.686 54.840 -0.052 0.000 0.767 167 L CB -0.286 41.626 42.059 -0.245 0.000 0.917 167 L HN 0.116 nan 8.230 nan 0.000 0.441 168 C N 0.545 119.870 119.300 0.042 0.000 2.391 168 C HA -0.220 4.242 4.460 0.002 0.000 0.276 168 C C 2.604 177.580 174.990 -0.024 0.000 1.217 168 C CA 1.176 60.230 59.018 0.062 0.000 1.766 168 C CB -1.268 26.538 27.740 0.110 0.000 2.046 168 C HN 0.484 nan 8.230 nan 0.000 0.475 169 R N 0.294 120.776 120.500 -0.030 0.000 2.395 169 R HA -0.118 4.223 4.340 0.002 0.000 0.203 169 R C 1.561 177.898 176.300 0.061 0.000 1.076 169 R CA 0.907 56.990 56.100 -0.028 0.000 1.059 169 R CB -0.496 29.621 30.300 -0.305 0.000 0.860 169 R HN 0.920 nan 8.270 nan 0.000 0.476 170 Y N -1.587 118.831 120.300 0.197 0.000 2.421 170 Y HA -0.044 4.507 4.550 0.002 0.000 0.292 170 Y C 1.544 177.600 175.900 0.261 0.000 1.136 170 Y CA 0.466 58.713 58.100 0.244 0.000 1.255 170 Y CB -0.547 38.094 38.460 0.302 0.000 0.991 170 Y HN -0.043 nan 8.280 nan 0.000 0.552 171 L N 0.703 121.764 121.223 -0.269 0.000 2.353 171 L HA -0.143 4.199 4.340 0.002 0.000 0.220 171 L C 2.146 179.165 176.870 0.249 0.000 1.133 171 L CA 1.242 56.066 54.840 -0.025 0.000 0.798 171 L CB -0.491 41.302 42.059 -0.444 0.000 0.922 171 L HN 0.364 nan 8.230 nan 0.000 0.445 172 E N -0.033 120.288 120.200 0.203 0.000 2.153 172 E HA -0.188 4.163 4.350 0.002 0.000 0.194 172 E C 1.498 178.251 176.600 0.255 0.000 0.988 172 E CA 0.730 57.269 56.400 0.232 0.000 0.811 172 E CB 0.044 29.851 29.700 0.178 0.000 0.746 172 E HN 0.337 nan 8.360 nan 0.000 0.466 173 L N -0.913 120.461 121.223 0.253 0.000 2.627 173 L HA -0.001 4.340 4.340 0.002 0.000 0.233 173 L C 0.932 177.859 176.870 0.094 0.000 1.144 173 L CA 0.830 55.775 54.840 0.175 0.000 0.892 173 L CB -1.053 41.092 42.059 0.143 0.000 1.039 173 L HN 0.269 nan 8.230 nan 0.000 0.442 174 W N -1.515 119.859 121.300 0.123 0.000 2.735 174 W HA 0.118 4.780 4.660 0.003 0.000 0.264 174 W C 2.478 178.952 176.519 -0.075 0.000 1.233 174 W CA 0.170 57.522 57.345 0.012 0.000 1.408 174 W CB 0.204 29.665 29.460 0.002 0.000 1.038 174 W HN 0.192 nan 8.180 nan 0.000 0.603 175 H N -1.306 117.947 119.070 0.305 0.000 2.639 175 H HA 0.230 4.787 4.556 0.002 0.000 0.267 175 H C 1.848 177.215 175.328 0.065 0.000 0.958 175 H CA 1.103 57.271 56.048 0.200 0.000 1.221 175 H CB 0.337 30.176 29.762 0.128 0.000 1.446 175 H HN 0.125 nan 8.280 nan 0.000 0.512 176 G N 1.340 110.246 108.800 0.176 0.000 2.176 176 G HA2 -0.249 3.712 3.960 0.002 0.000 0.252 176 G HA3 -0.249 3.712 3.960 0.002 0.000 0.252 176 G C -0.411 174.543 174.900 0.090 0.000 1.024 176 G CA 0.179 45.310 45.100 0.052 0.000 0.755 176 G HN 0.142 nan 8.290 nan 0.000 0.507 177 L N 0.567 121.891 121.223 0.168 0.000 2.408 177 L HA 0.497 4.838 4.340 0.002 0.000 0.268 177 L C 0.116 177.100 176.870 0.190 0.000 0.986 177 L CA -1.184 53.761 54.840 0.175 0.000 0.820 177 L CB 1.843 44.023 42.059 0.202 0.000 1.303 177 L HN 0.280 nan 8.230 nan 0.000 0.411 178 D N 2.297 122.804 120.400 0.179 0.000 2.443 178 D HA -0.105 4.536 4.640 0.002 0.000 0.239 178 D C 0.783 177.298 176.300 0.359 0.000 1.136 178 D CA -0.187 53.955 54.000 0.236 0.000 0.879 178 D CB 0.945 41.862 40.800 0.195 0.000 1.195 178 D HN 0.638 nan 8.370 nan 0.000 0.443 179 W N 4.946 126.338 121.300 0.153 0.000 2.359 179 W HA -0.138 4.524 4.660 0.002 0.000 0.275 179 W C 0.956 177.583 176.519 0.179 0.000 1.217 179 W CA 0.501 57.989 57.345 0.238 0.000 1.196 179 W CB -0.919 28.687 29.460 0.244 0.000 1.129 179 W HN 0.415 nan 8.180 nan 0.000 0.566 180 K N 0.309 120.805 120.400 0.161 0.000 2.400 180 K HA 0.145 4.466 4.320 0.002 0.000 0.194 180 K C 1.940 178.510 176.600 -0.050 0.000 1.033 180 K CA 0.465 56.695 56.287 -0.094 0.000 1.021 180 K CB 0.027 32.349 32.500 -0.296 0.000 0.808 180 K HN 0.206 nan 8.250 nan 0.000 0.505 181 L N 0.417 121.636 121.223 -0.007 0.000 2.556 181 L HA 0.146 4.488 4.340 0.002 0.000 0.226 181 L C 0.361 177.188 176.870 -0.071 0.000 1.089 181 L CA -0.293 54.451 54.840 -0.160 0.000 0.864 181 L CB 0.194 42.148 42.059 -0.176 0.000 1.067 181 L HN 0.093 nan 8.230 nan 0.000 0.477 182 L N 0.484 121.760 121.223 0.089 0.000 2.349 182 L HA 0.206 4.547 4.340 0.002 0.000 0.275 182 L C 0.686 177.615 176.870 0.098 0.000 1.115 182 L CA 0.151 55.054 54.840 0.106 0.000 0.820 182 L CB 1.325 43.442 42.059 0.097 0.000 1.135 182 L HN -0.083 nan 8.230 nan 0.000 0.445 183 S N 3.894 119.628 115.700 0.056 0.000 2.516 183 S HA 0.328 4.800 4.470 0.002 0.000 0.282 183 S C 1.299 175.900 174.600 0.001 0.000 1.286 183 S CA -0.012 58.208 58.200 0.033 0.000 1.066 183 S CB 0.791 63.999 63.200 0.014 0.000 0.884 183 S HN 0.909 nan 8.310 nan 0.000 0.491 184 A N 5.839 128.701 122.820 0.070 0.000 1.930 184 A HA -0.008 4.313 4.320 0.002 0.000 0.217 184 A C 2.149 179.717 177.584 -0.026 0.000 1.175 184 A CA 1.232 53.374 52.037 0.175 0.000 0.627 184 A CB -0.461 18.780 19.000 0.401 0.000 0.815 184 A HN 0.928 nan 8.150 nan 0.000 0.443 185 K N -0.586 119.579 120.400 -0.391 0.000 2.103 185 K HA -0.156 4.165 4.320 0.002 0.000 0.207 185 K C 1.342 177.830 176.600 -0.188 0.000 1.048 185 K CA 1.450 57.364 56.287 -0.623 0.000 0.930 185 K CB -0.090 32.039 32.500 -0.618 0.000 0.716 185 K HN 0.506 nan 8.250 nan 0.000 0.444 186 D N -0.210 120.121 120.400 -0.115 0.000 2.339 186 D HA 0.007 4.648 4.640 0.002 0.000 0.217 186 D C 0.878 177.166 176.300 -0.020 0.000 1.050 186 D CA 0.419 54.403 54.000 -0.026 0.000 0.856 186 D CB 0.483 41.272 40.800 -0.018 0.000 0.922 186 D HN 0.070 nan 8.370 nan 0.000 0.518 187 T N -0.220 114.239 114.554 -0.158 0.000 2.674 187 T HA -0.135 4.216 4.350 0.002 0.000 0.265 187 T C 0.498 175.077 174.700 -0.201 0.000 1.039 187 T CA 1.043 62.901 62.100 -0.404 0.000 1.150 187 T CB -0.191 68.203 68.868 -0.791 0.000 0.864 187 T HN 0.133 nan 8.240 nan 0.000 0.427 188 Y N 1.738 122.051 120.300 0.020 0.000 2.304 188 Y HA 0.467 5.018 4.550 0.002 0.000 0.328 188 Y C -0.156 175.824 175.900 0.132 0.000 1.123 188 Y CA -1.421 56.681 58.100 0.004 0.000 1.218 188 Y CB 0.396 38.839 38.460 -0.028 0.000 1.207 188 Y HN 0.232 nan 8.280 nan 0.000 0.495 189 F N -0.778 119.224 119.950 0.086 0.000 2.662 189 F HA 0.836 5.364 4.527 0.002 0.000 0.312 189 F C -0.284 175.550 175.800 0.057 0.000 1.113 189 F CA -1.811 56.205 58.000 0.025 0.000 0.951 189 F CB 0.875 39.831 39.000 -0.074 0.000 1.344 189 F HN 0.543 nan 8.300 nan 0.000 0.462 190 G N 0.391 109.278 108.800 0.144 0.000 2.353 190 G HA2 0.355 4.316 3.960 0.002 0.000 0.284 190 G HA3 0.355 4.316 3.960 0.002 0.000 0.284 190 G C -1.249 173.727 174.900 0.126 0.000 1.172 190 G CA -0.536 44.610 45.100 0.077 0.000 0.854 190 G HN 0.844 nan 8.290 nan 0.000 0.485 191 H N 2.944 121.926 119.070 -0.146 0.000 2.685 191 H HA 0.123 4.680 4.556 0.002 0.000 0.286 191 H C -0.189 175.139 175.328 0.001 0.000 1.102 191 H CA -0.639 55.371 56.048 -0.063 0.000 1.254 191 H CB 1.349 31.003 29.762 -0.180 0.000 1.397 191 H HN 0.377 nan 8.280 nan 0.000 0.473 192 Q N 2.959 122.837 119.800 0.130 0.000 2.837 192 Q HA 0.242 4.583 4.340 0.002 0.000 0.235 192 Q C 0.971 177.019 176.000 0.081 0.000 1.348 192 Q CA -0.195 55.661 55.803 0.088 0.000 0.990 192 Q CB 0.330 29.110 28.738 0.072 0.000 1.570 192 Q HN 1.015 nan 8.270 nan 0.000 0.575 193 G N 1.236 110.088 108.800 0.088 0.000 2.592 193 G HA2 -0.179 3.782 3.960 0.002 0.000 0.684 193 G HA3 -0.179 3.782 3.960 0.002 0.000 0.684 193 G C -0.780 174.199 174.900 0.132 0.000 1.291 193 G CA -1.085 44.067 45.100 0.086 0.000 0.891 193 G HN 0.480 nan 8.290 nan 0.000 0.544 194 R N 0.053 120.647 120.500 0.157 0.000 2.649 194 R HA 0.367 4.708 4.340 0.002 0.000 0.270 194 R C 0.286 176.698 176.300 0.187 0.000 1.105 194 R CA -0.535 55.702 56.100 0.227 0.000 1.193 194 R CB 0.303 30.807 30.300 0.339 0.000 1.120 194 R HN 0.575 nan 8.270 nan 0.000 0.561 195 N N -0.021 118.791 118.700 0.188 0.000 2.430 195 N HA 0.323 5.064 4.740 0.002 0.000 0.292 195 N C -1.190 174.265 175.510 -0.092 0.000 1.051 195 N CA -0.312 52.782 53.050 0.073 0.000 0.917 195 N CB 2.057 40.605 38.487 0.103 0.000 1.164 195 N HN 0.528 nan 8.380 nan 0.000 0.484 196 A N 2.067 124.695 122.820 -0.319 0.000 2.304 196 A HA 0.396 4.717 4.320 0.002 0.000 0.314 196 A C -0.832 176.768 177.584 0.027 0.000 1.187 196 A CA -0.671 51.050 52.037 -0.526 0.000 0.810 196 A CB 0.274 18.537 19.000 -1.228 0.000 1.183 196 A HN 0.615 nan 8.150 nan 0.000 0.487 197 F N 3.474 123.433 119.950 0.015 0.000 2.472 197 F HA 0.471 4.999 4.527 0.002 0.000 0.364 197 F C 0.803 176.494 175.800 -0.182 0.000 1.090 197 F CA -0.312 57.590 58.000 -0.163 0.000 1.188 197 F CB 0.701 39.634 39.000 -0.112 0.000 1.105 197 F HN 0.717 nan 8.300 nan 0.000 0.536 198 A N 7.631 129.930 122.820 -0.867 0.000 2.451 198 A HA 0.298 4.619 4.320 0.002 0.000 0.266 198 A C -0.150 177.036 177.584 -0.663 0.000 1.119 198 A CA -0.413 51.164 52.037 -0.766 0.000 0.786 198 A CB -0.249 17.916 19.000 -1.393 0.000 1.061 198 A HN 0.890 nan 8.150 nan 0.000 0.503 199 L N 2.671 123.729 121.223 -0.274 0.000 2.719 199 L HA 0.379 4.720 4.340 0.002 0.000 0.236 199 L C 0.959 177.737 176.870 -0.154 0.000 1.285 199 L CA 0.723 55.461 54.840 -0.170 0.000 1.222 199 L CB -0.943 41.087 42.059 -0.049 0.000 1.493 199 L HN 1.067 nan 8.230 nan 0.000 0.415 200 N N -0.532 118.046 118.700 -0.203 0.000 5.068 200 N HA -0.169 4.573 4.740 0.002 0.000 0.296 200 N C 0.009 175.478 175.510 -0.068 0.000 0.784 200 N CA -0.013 52.973 53.050 -0.106 0.000 0.677 200 N CB -2.050 nan 38.487 nan 0.000 1.726 200 N HN 0.385 nan 8.380 nan 0.000 0.680 201 Y N 0.225 120.431 120.300 -0.157 0.000 2.352 201 Y HA -0.163 4.388 4.550 0.002 0.000 0.292 201 Y C 2.353 178.221 175.900 -0.052 0.000 1.136 201 Y CA 1.672 59.693 58.100 -0.133 0.000 1.227 201 Y CB 0.453 38.802 38.460 -0.185 0.000 0.991 201 Y HN 0.852 nan 8.280 nan 0.000 0.545 202 D N -1.404 119.079 120.400 0.139 0.000 2.350 202 D HA -0.152 4.489 4.640 0.002 0.000 0.216 202 D C 1.866 178.211 176.300 0.075 0.000 0.968 202 D CA 0.964 55.019 54.000 0.091 0.000 0.894 202 D CB -0.376 40.458 40.800 0.057 0.000 0.909 202 D HN 0.158 nan 8.370 nan 0.000 0.520 203 S N -0.559 115.183 115.700 0.069 0.000 2.446 203 S HA -0.003 4.468 4.470 0.002 0.000 0.225 203 S C 1.887 176.534 174.600 0.078 0.000 1.016 203 S CA 0.296 58.525 58.200 0.047 0.000 0.943 203 S CB -0.068 63.142 63.200 0.016 0.000 0.786 203 S HN 0.161 nan 8.310 nan 0.000 0.508 204 V N 1.249 121.245 119.914 0.136 0.000 2.488 204 V HA -0.043 4.078 4.120 0.002 0.000 0.246 204 V C 2.359 178.549 176.094 0.161 0.000 1.046 204 V CA 1.319 63.724 62.300 0.174 0.000 1.053 204 V CB -0.462 31.535 31.823 0.290 0.000 0.679 204 V HN 0.371 nan 8.190 nan 0.000 0.458 205 V N -0.264 119.737 119.914 0.145 0.000 2.343 205 V HA -0.261 3.860 4.120 0.002 0.000 0.247 205 V C 2.624 178.770 176.094 0.086 0.000 1.051 205 V CA 1.747 64.118 62.300 0.118 0.000 1.036 205 V CB -0.709 31.168 31.823 0.090 0.000 0.654 205 V HN 0.499 nan 8.190 nan 0.000 0.451 206 Q N 0.031 119.865 119.800 0.056 0.000 2.050 206 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 206 Q C 2.370 178.370 176.000 0.000 0.000 0.980 206 Q CA 1.932 57.744 55.803 0.014 0.000 0.840 206 Q CB -0.572 28.168 28.738 0.004 0.000 0.898 206 Q HN 0.653 nan 8.270 nan 0.000 0.424 207 R N 0.630 121.147 120.500 0.029 0.000 2.096 207 R HA -0.140 4.201 4.340 0.002 0.000 0.240 207 R C 2.241 178.565 176.300 0.040 0.000 1.139 207 R CA 1.519 57.636 56.100 0.028 0.000 0.952 207 R CB -0.307 30.027 30.300 0.056 0.000 0.854 207 R HN 0.237 nan 8.270 nan 0.000 0.436 208 I N 0.522 121.150 120.570 0.098 0.000 2.394 208 I HA -0.152 4.019 4.170 0.002 0.000 0.251 208 I C 2.477 178.648 176.117 0.090 0.000 1.136 208 I CA 1.019 62.410 61.300 0.151 0.000 1.425 208 I CB -0.372 37.772 38.000 0.240 0.000 1.079 208 I HN 0.328 nan 8.210 nan 0.000 0.425 209 A N 0.292 123.107 122.820 -0.009 0.000 2.014 209 A HA -0.145 4.176 4.320 0.002 0.000 0.218 209 A C 2.086 179.323 177.584 -0.578 0.000 1.163 209 A CA 0.996 52.904 52.037 -0.216 0.000 0.652 209 A CB -0.332 18.611 19.000 -0.094 0.000 0.808 209 A HN 0.482 nan 8.150 nan 0.000 0.449 210 Q N 0.160 119.760 119.800 -0.333 0.000 2.360 210 Q HA 0.034 4.375 4.340 0.002 0.000 0.202 210 Q C 1.233 177.041 176.000 -0.321 0.000 0.915 210 Q CA 0.634 56.233 55.803 -0.341 0.000 0.943 210 Q CB 0.069 28.698 28.738 -0.182 0.000 1.064 210 Q HN 0.726 nan 8.270 nan 0.000 0.511 211 S N -0.044 115.489 115.700 -0.277 0.000 2.634 211 S HA 0.175 4.646 4.470 0.002 0.000 0.221 211 S C 0.054 174.596 174.600 -0.096 0.000 0.952 211 S CA -0.632 57.506 58.200 -0.103 0.000 0.930 211 S CB -0.367 62.867 63.200 0.057 0.000 0.780 211 S HN 0.331 nan 8.310 nan 0.000 0.498 212 F N -2.314 117.434 119.950 -0.335 0.000 2.662 212 F HA 0.785 5.313 4.527 0.002 0.000 0.312 212 F C -3.471 171.833 175.800 -0.827 0.000 1.113 212 F CA -3.201 54.350 58.000 -0.747 0.000 0.951 212 F CB -0.156 38.499 39.000 -0.575 0.000 1.344 212 F HN -0.298 nan 8.300 nan 0.000 0.462 213 P HA 0.004 nan 4.420 nan 0.000 0.255 213 P C 0.246 177.318 177.300 -0.381 0.000 1.161 213 P CA 0.417 63.066 63.100 -0.751 0.000 0.768 213 P CB 0.490 31.532 31.700 -1.097 0.000 0.746 214 Q N 2.808 122.451 119.800 -0.263 0.000 2.364 214 Q HA -0.147 4.194 4.340 0.002 0.000 0.209 214 Q C 1.334 177.354 176.000 0.033 0.000 0.977 214 Q CA 1.208 56.931 55.803 -0.133 0.000 0.885 214 Q CB -0.470 28.183 28.738 -0.142 0.000 0.941 214 Q HN 0.623 nan 8.270 nan 0.000 0.464 215 N N -1.089 117.649 118.700 0.064 0.000 2.521 215 N HA -0.133 4.608 4.740 0.002 0.000 0.188 215 N C 0.928 176.628 175.510 0.316 0.000 1.146 215 N CA 0.313 53.458 53.050 0.157 0.000 0.893 215 N CB -0.308 38.264 38.487 0.141 0.000 0.975 215 N HN 0.211 nan 8.380 nan 0.000 0.451 216 W N 0.837 122.193 121.300 0.093 0.000 2.476 216 W HA 0.281 4.942 4.660 0.002 0.000 0.281 216 W C 0.544 177.111 176.519 0.079 0.000 1.230 216 W CA -0.405 56.990 57.345 0.084 0.000 1.287 216 W CB -0.770 28.770 29.460 0.134 0.000 1.108 216 W HN 0.003 nan 8.180 nan 0.000 0.567 217 L N 2.264 123.713 121.223 0.377 0.000 2.418 217 L HA 0.109 4.451 4.340 0.002 0.000 0.274 217 L C 0.222 177.170 176.870 0.131 0.000 1.135 217 L CA 0.504 55.491 54.840 0.244 0.000 0.870 217 L CB 0.194 42.386 42.059 0.222 0.000 1.154 217 L HN -0.278 nan 8.230 nan 0.000 0.462 218 K N 6.555 127.004 120.400 0.082 0.000 2.579 218 K HA 0.354 4.676 4.320 0.002 0.000 0.225 218 K C -0.978 175.643 176.600 0.035 0.000 0.992 218 K CA -0.478 55.840 56.287 0.052 0.000 1.018 218 K CB 0.645 33.162 32.500 0.030 0.000 1.249 218 K HN 0.588 nan 8.250 nan 0.000 0.489 219 L N 0.709 121.955 121.223 0.037 0.000 2.456 219 L HA 0.169 4.511 4.340 0.002 0.000 0.257 219 L C 1.091 177.968 176.870 0.012 0.000 1.162 219 L CA -0.149 54.703 54.840 0.020 0.000 0.808 219 L CB 0.738 42.812 42.059 0.024 0.000 1.136 219 L HN 0.690 nan 8.230 nan 0.000 0.466 220 S N -1.122 114.574 115.700 -0.007 0.000 3.382 220 S HA -0.196 4.275 4.470 0.002 0.000 0.293 220 S C -0.052 174.547 174.600 -0.001 0.000 1.262 220 S CA 0.948 59.145 58.200 -0.005 0.000 0.969 220 S CB -1.422 61.786 63.200 0.014 0.000 1.136 220 S HN 0.797 nan 8.310 nan 0.000 0.635 221 c N 2.485 121.080 118.600 -0.008 0.000 2.271 221 c HA 0.693 5.264 4.570 0.002 0.000 0.323 221 c C 0.115 174.191 174.090 -0.023 0.000 1.245 221 c CA -0.674 55.660 56.329 0.008 0.000 1.548 221 c CB 0.381 42.917 42.510 0.043 0.000 2.214 221 c HN 0.549 nan 8.230 nan 0.000 0.477 222 E N 4.516 124.706 120.200 -0.016 0.000 2.227 222 E HA 0.497 4.849 4.350 0.002 0.000 0.282 222 E C -0.947 175.651 176.600 -0.004 0.000 1.015 222 E CA -0.433 55.950 56.400 -0.028 0.000 0.823 222 E CB 1.398 31.112 29.700 0.023 0.000 1.081 222 E HN 0.693 nan 8.360 nan 0.000 0.396 223 V N 6.245 126.149 119.914 -0.016 0.000 2.432 223 V HA 0.065 4.186 4.120 0.002 0.000 0.271 223 V C 0.989 177.066 176.094 -0.028 0.000 1.046 223 V CA -0.053 62.235 62.300 -0.021 0.000 0.945 223 V CB 1.020 32.818 31.823 -0.042 0.000 0.992 223 V HN 0.800 nan 8.190 nan 0.000 0.471 224 K N 2.866 123.247 120.400 -0.033 0.000 2.308 224 K HA 0.236 4.557 4.320 0.002 0.000 0.197 224 K C 0.500 177.047 176.600 -0.088 0.000 1.049 224 K CA 0.374 56.637 56.287 -0.040 0.000 0.991 224 K CB 0.459 32.946 32.500 -0.021 0.000 0.836 224 K HN 0.642 nan 8.250 nan 0.000 0.500 225 S N 0.246 115.878 115.700 -0.114 0.000 2.547 225 S HA 0.589 5.060 4.470 0.002 0.000 0.270 225 S C -1.037 173.445 174.600 -0.197 0.000 1.150 225 S CA -1.033 57.064 58.200 -0.172 0.000 0.850 225 S CB 1.362 64.498 63.200 -0.106 0.000 1.118 225 S HN 0.159 nan 8.310 nan 0.000 0.461 226 I N 1.764 122.158 120.570 -0.294 0.000 2.478 226 I HA 0.500 4.672 4.170 0.002 0.000 0.287 226 I C -0.919 175.134 176.117 -0.107 0.000 1.042 226 I CA -0.244 60.921 61.300 -0.225 0.000 1.067 226 I CB 2.494 40.287 38.000 -0.345 0.000 1.233 226 I HN 0.792 nan 8.210 nan 0.000 0.431 227 T N 4.297 118.825 114.554 -0.043 0.000 2.848 227 T HA 0.423 4.774 4.350 0.002 0.000 0.285 227 T C -0.436 174.265 174.700 0.002 0.000 0.995 227 T CA -0.754 61.345 62.100 -0.001 0.000 0.970 227 T CB 1.779 70.639 68.868 -0.012 0.000 0.976 227 T HN 0.330 nan 8.240 nan 0.000 0.441 228 R N 2.700 123.212 120.500 0.020 0.000 2.205 228 R HA 0.242 4.583 4.340 0.002 0.000 0.342 228 R C -0.315 175.979 176.300 -0.010 0.000 1.058 228 R CA -0.330 55.770 56.100 -0.001 0.000 0.904 228 R CB 0.077 30.383 30.300 0.010 0.000 1.089 228 R HN 0.389 nan 8.270 nan 0.000 0.471 229 E N 6.985 127.169 120.200 -0.025 0.000 1.944 229 E HA 0.105 4.456 4.350 0.002 0.000 0.272 229 E C -1.981 174.601 176.600 -0.030 0.000 1.195 229 E CA -2.245 54.140 56.400 -0.026 0.000 0.926 229 E CB 0.690 30.371 29.700 -0.031 0.000 1.051 229 E HN 0.509 nan 8.360 nan 0.000 0.404 230 P HA -0.139 nan 4.420 nan 0.000 0.169 230 P C 0.010 177.293 177.300 -0.028 0.000 0.959 230 P CA 0.732 63.818 63.100 -0.022 0.000 1.293 230 P CB -0.380 31.312 31.700 -0.013 0.000 1.566 231 S N -0.434 115.242 115.700 -0.040 0.000 2.843 231 S HA 0.299 4.771 4.470 0.002 0.000 0.194 231 S C 0.612 175.174 174.600 -0.063 0.000 0.785 231 S CA 0.250 58.424 58.200 -0.044 0.000 1.333 231 S CB -1.029 62.149 63.200 -0.037 0.000 1.290 231 S HN 0.470 nan 8.310 nan 0.000 0.563 232 K N -1.892 118.460 120.400 -0.080 0.000 3.263 232 K HA 0.075 4.397 4.320 0.002 0.000 0.277 232 K C -0.094 176.421 176.600 -0.141 0.000 1.207 232 K CA 1.719 57.933 56.287 -0.122 0.000 0.818 232 K CB -3.112 nan 32.500 nan 0.000 1.313 232 K HN 2.398 nan 8.250 nan 0.000 0.512 233 N N -0.610 118.022 118.700 -0.113 0.000 2.310 233 N HA 0.739 5.480 4.740 0.002 0.000 0.292 233 N C -0.531 174.926 175.510 -0.089 0.000 1.049 233 N CA -0.049 52.939 53.050 -0.104 0.000 0.849 233 N CB 2.335 40.779 38.487 -0.072 0.000 1.532 233 N HN 0.943 nan 8.380 nan 0.000 0.479 234 V N 1.453 121.312 119.914 -0.092 0.000 2.417 234 V HA 0.621 4.742 4.120 0.002 0.000 0.291 234 V C 0.327 176.394 176.094 -0.045 0.000 1.024 234 V CA -0.577 61.682 62.300 -0.068 0.000 0.861 234 V CB 1.366 33.141 31.823 -0.080 0.000 0.985 234 V HN 0.847 nan 8.190 nan 0.000 0.436 235 T N 4.499 119.033 114.554 -0.033 0.000 2.837 235 T HA 0.616 4.968 4.350 0.002 0.000 0.285 235 T C -0.320 174.368 174.700 -0.019 0.000 0.984 235 T CA -0.321 61.767 62.100 -0.020 0.000 1.049 235 T CB 1.534 70.387 68.868 -0.024 0.000 0.947 235 T HN 0.396 nan 8.240 nan 0.000 0.472 236 V N 4.525 124.447 119.914 0.013 0.000 2.531 236 V HA 0.438 4.559 4.120 0.002 0.000 0.301 236 V C -0.460 175.662 176.094 0.046 0.000 1.034 236 V CA -1.081 61.229 62.300 0.018 0.000 0.865 236 V CB 1.806 33.650 31.823 0.037 0.000 0.995 236 V HN 0.789 nan 8.190 nan 0.000 0.424 237 N N 2.527 121.229 118.700 0.002 0.000 2.446 237 N HA 0.408 5.150 4.740 0.002 0.000 0.265 237 N C -0.680 174.837 175.510 0.012 0.000 0.975 237 N CA -0.268 52.780 53.050 -0.002 0.000 0.928 237 N CB 1.878 40.347 38.487 -0.030 0.000 1.160 237 N HN 0.573 nan 8.380 nan 0.000 0.495 238 c N 1.076 119.698 118.600 0.036 0.000 2.459 238 c HA 0.064 4.636 4.570 0.002 0.000 0.374 238 c C 2.261 176.359 174.090 0.012 0.000 1.241 238 c CA -0.430 55.925 56.329 0.042 0.000 2.352 238 c CB 0.593 43.156 42.510 0.089 0.000 2.490 238 c HN 0.814 nan 8.230 nan 0.000 0.583 239 E N 1.580 121.788 120.200 0.014 0.000 2.085 239 E HA -0.257 4.095 4.350 0.002 0.000 0.194 239 E C 1.101 177.704 176.600 0.004 0.000 0.994 239 E CA 2.330 58.736 56.400 0.010 0.000 0.801 239 E CB -0.316 29.397 29.700 0.021 0.000 0.743 239 E HN 0.806 nan 8.360 nan 0.000 0.453 240 D N -0.551 119.854 120.400 0.009 0.000 2.407 240 D HA 0.006 4.647 4.640 0.002 0.000 0.234 240 D C 1.432 177.722 176.300 -0.016 0.000 1.029 240 D CA 0.926 54.927 54.000 0.002 0.000 0.937 240 D CB -0.025 40.782 40.800 0.010 0.000 0.882 240 D HN 0.479 nan 8.370 nan 0.000 0.531 241 G N -0.282 108.504 108.800 -0.024 0.000 2.253 241 G HA2 -0.321 3.641 3.960 0.002 0.000 0.251 241 G HA3 -0.321 3.641 3.960 0.002 0.000 0.251 241 G C 0.610 175.458 174.900 -0.086 0.000 0.998 241 G CA 0.509 45.581 45.100 -0.046 0.000 0.621 241 G HN 0.902 nan 8.290 nan 0.000 0.524 242 T N -0.783 113.706 114.554 -0.108 0.000 2.937 242 T HA 0.483 4.834 4.350 0.002 0.000 0.316 242 T C 0.124 174.642 174.700 -0.303 0.000 1.079 242 T CA 0.262 62.215 62.100 -0.246 0.000 1.131 242 T CB 2.190 70.864 68.868 -0.323 0.000 1.000 242 T HN 1.005 nan 8.240 nan 0.000 0.549 243 V N 3.740 123.406 119.914 -0.413 0.000 2.540 243 V HA 0.521 4.642 4.120 0.002 0.000 0.302 243 V C -1.046 174.790 176.094 -0.429 0.000 1.035 243 V CA -0.970 61.154 62.300 -0.293 0.000 0.873 243 V CB 1.154 32.881 31.823 -0.159 0.000 0.992 243 V HN 0.949 nan 8.190 nan 0.000 0.428 244 Y N 2.619 122.890 120.300 -0.050 0.000 2.536 244 Y HA 0.562 5.113 4.550 0.002 0.000 0.347 244 Y C 0.238 176.100 175.900 -0.062 0.000 1.000 244 Y CA -0.775 57.290 58.100 -0.057 0.000 1.051 244 Y CB 2.078 40.498 38.460 -0.066 0.000 1.259 244 Y HN 0.573 nan 8.280 nan 0.000 0.468 245 N N 1.404 120.173 118.700 0.115 0.000 2.352 245 N HA 0.743 5.485 4.740 0.002 0.000 0.291 245 N C -1.859 173.651 175.510 -0.001 0.000 1.040 245 N CA -0.103 52.962 53.050 0.026 0.000 0.864 245 N CB 1.891 40.377 38.487 -0.002 0.000 1.440 245 N HN 0.866 nan 8.380 nan 0.000 0.483 246 A N 2.403 125.198 122.820 -0.041 0.000 2.569 246 A HA 0.430 4.751 4.320 0.002 0.000 0.290 246 A C 0.112 177.626 177.584 -0.117 0.000 1.136 246 A CA -0.537 51.456 52.037 -0.074 0.000 0.710 246 A CB 1.117 20.064 19.000 -0.088 0.000 1.303 246 A HN 0.647 nan 8.150 nan 0.000 0.413 247 D N -0.783 119.533 120.400 -0.139 0.000 2.137 247 D HA 0.061 4.703 4.640 0.002 0.000 0.202 247 D C -0.447 175.540 176.300 -0.522 0.000 0.970 247 D CA 2.036 55.853 54.000 -0.305 0.000 0.837 247 D CB 0.082 40.734 40.800 -0.248 0.000 0.981 247 D HN 0.512 nan 8.370 nan 0.000 0.475 248 Y N -0.829 119.413 120.300 -0.098 0.000 2.576 248 Y HA 0.392 4.943 4.550 0.002 0.000 0.346 248 Y C -0.197 175.630 175.900 -0.123 0.000 1.018 248 Y CA -1.301 56.737 58.100 -0.105 0.000 1.050 248 Y CB 2.344 40.740 38.460 -0.107 0.000 1.280 248 Y HN -0.307 nan 8.280 nan 0.000 0.474 249 V N 0.294 120.236 119.914 0.047 0.000 2.733 249 V HA 0.644 4.765 4.120 0.002 0.000 0.306 249 V C -1.278 174.770 176.094 -0.077 0.000 1.084 249 V CA -0.957 61.318 62.300 -0.042 0.000 0.905 249 V CB 1.635 33.420 31.823 -0.063 0.000 1.010 249 V HN 0.692 nan 8.190 nan 0.000 0.424 250 I N 5.744 126.261 120.570 -0.088 0.000 2.328 250 I HA 0.475 4.646 4.170 0.002 0.000 0.287 250 I C -0.369 175.714 176.117 -0.058 0.000 1.012 250 I CA -0.415 60.828 61.300 -0.095 0.000 1.195 250 I CB 1.547 39.495 38.000 -0.086 0.000 1.350 250 I HN 0.535 nan 8.210 nan 0.000 0.464 251 I N 5.970 126.508 120.570 -0.052 0.000 2.312 251 I HA 0.122 4.293 4.170 0.002 0.000 0.291 251 I C 1.123 177.362 176.117 0.203 0.000 1.031 251 I CA 0.030 61.386 61.300 0.092 0.000 1.293 251 I CB 1.356 39.467 38.000 0.185 0.000 1.403 251 I HN 0.631 nan 8.210 nan 0.000 0.484 252 T N 2.849 117.502 114.554 0.165 0.000 3.182 252 T HA 0.176 4.527 4.350 0.002 0.000 0.277 252 T C 0.381 175.213 174.700 0.221 0.000 1.013 252 T CA -0.409 61.806 62.100 0.192 0.000 0.900 252 T CB -0.394 68.542 68.868 0.115 0.000 1.098 252 T HN 0.349 nan 8.240 nan 0.000 0.543 253 V N -0.345 119.702 119.914 0.222 0.000 3.139 253 V HA 0.423 4.544 4.120 0.002 0.000 0.307 253 V C -2.548 173.648 176.094 0.170 0.000 1.095 253 V CA -1.835 60.573 62.300 0.179 0.000 1.160 253 V CB -0.376 31.548 31.823 0.168 0.000 1.003 253 V HN 0.083 nan 8.190 nan 0.000 0.489 254 P HA 0.052 nan 4.420 nan 0.000 0.267 254 P C 0.643 177.798 177.300 -0.242 0.000 1.200 254 P CA 0.169 63.259 63.100 -0.017 0.000 0.772 254 P CB 0.361 32.086 31.700 0.042 0.000 0.855 255 Q N 2.116 121.571 119.800 -0.574 0.000 2.181 255 Q HA -0.203 4.138 4.340 0.002 0.000 0.205 255 Q C 1.552 177.325 176.000 -0.378 0.000 0.980 255 Q CA 2.325 57.804 55.803 -0.540 0.000 0.862 255 Q CB -0.244 28.219 28.738 -0.459 0.000 0.905 255 Q HN 0.570 nan 8.270 nan 0.000 0.429 256 S N -1.043 114.174 115.700 -0.806 0.000 2.406 256 S HA -0.065 4.406 4.470 0.002 0.000 0.228 256 S C 1.892 176.262 174.600 -0.384 0.000 1.020 256 S CA 1.030 58.769 58.200 -0.768 0.000 0.965 256 S CB -0.265 62.221 63.200 -1.190 0.000 0.798 256 S HN 0.233 nan 8.310 nan 0.000 0.488 257 V N 1.474 121.234 119.914 -0.257 0.000 2.407 257 V HA 0.027 4.149 4.120 0.002 0.000 0.245 257 V C 2.373 178.424 176.094 -0.071 0.000 1.041 257 V CA 1.361 63.597 62.300 -0.105 0.000 1.040 257 V CB -0.679 31.149 31.823 0.009 0.000 0.671 257 V HN 0.456 nan 8.190 nan 0.000 0.455 258 L N 0.980 122.180 121.223 -0.038 0.000 2.201 258 L HA -0.095 4.246 4.340 0.002 0.000 0.212 258 L C 2.119 178.882 176.870 -0.177 0.000 1.105 258 L CA 1.682 56.549 54.840 0.047 0.000 0.775 258 L CB -1.030 41.136 42.059 0.178 0.000 0.913 258 L HN 0.312 nan 8.230 nan 0.000 0.440 259 N N -0.013 118.425 118.700 -0.437 0.000 2.223 259 N HA -0.182 4.559 4.740 0.002 0.000 0.185 259 N C 1.754 176.947 175.510 -0.530 0.000 1.016 259 N CA 1.369 53.836 53.050 -0.972 0.000 0.863 259 N CB -0.178 37.838 38.487 -0.786 0.000 0.983 259 N HN 0.482 nan 8.380 nan 0.000 0.429 260 L N -0.004 121.051 121.223 -0.281 0.000 2.261 260 L HA -0.103 4.239 4.340 0.002 0.000 0.216 260 L C 2.191 178.999 176.870 -0.104 0.000 1.114 260 L CA 0.570 55.313 54.840 -0.162 0.000 0.777 260 L CB -0.348 41.655 42.059 -0.094 0.000 0.910 260 L HN 0.074 nan 8.230 nan 0.000 0.440 261 S N -0.004 115.652 115.700 -0.073 0.000 2.383 261 S HA -0.112 4.359 4.470 0.002 0.000 0.227 261 S C 1.611 176.203 174.600 -0.013 0.000 1.026 261 S CA 1.304 59.533 58.200 0.048 0.000 0.981 261 S CB -0.219 63.117 63.200 0.227 0.000 0.818 261 S HN 0.439 nan 8.310 nan 0.000 0.472 262 V N 0.211 120.045 119.914 -0.134 0.000 3.451 262 V HA 0.289 4.410 4.120 0.002 0.000 0.332 262 V C -0.157 175.883 176.094 -0.089 0.000 1.198 262 V CA 0.096 62.328 62.300 -0.113 0.000 1.317 262 V CB -1.258 30.454 31.823 -0.185 0.000 1.117 262 V HN 0.287 nan 8.190 nan 0.000 0.421 263 Q N 1.063 120.825 119.800 -0.065 0.000 2.418 263 Q HA 0.564 4.905 4.340 0.002 0.000 0.282 263 Q C -2.833 173.153 176.000 -0.024 0.000 1.044 263 Q CA -1.752 54.022 55.803 -0.049 0.000 0.813 263 Q CB 3.092 31.788 28.738 -0.069 0.000 1.428 263 Q HN 0.240 nan 8.270 nan 0.000 0.402 264 P HA 0.159 nan 4.420 nan 0.000 0.277 264 P C -0.945 176.347 177.300 -0.013 0.000 1.271 264 P CA -0.173 62.921 63.100 -0.009 0.000 0.795 264 P CB 0.766 32.462 31.700 -0.007 0.000 1.101 265 E N -1.465 118.729 120.200 -0.009 0.000 7.334 265 E HA -0.048 4.303 4.350 0.002 0.000 0.208 265 E C -0.430 176.164 176.600 -0.011 0.000 0.948 265 E CA 1.042 57.435 56.400 -0.011 0.000 1.626 265 E CB -1.687 28.003 29.700 -0.016 0.000 0.908 265 E HN 0.564 nan 8.360 nan 0.000 0.271 266 K N 4.166 124.561 120.400 -0.008 0.000 2.358 266 K HA 0.219 4.540 4.320 0.002 0.000 0.197 266 K C 1.219 177.815 176.600 -0.008 0.000 1.025 266 K CA 0.689 56.972 56.287 -0.007 0.000 1.104 266 K CB -0.193 32.303 32.500 -0.006 0.000 0.855 266 K HN 0.596 nan 8.250 nan 0.000 0.531 267 N N 0.779 119.474 118.700 -0.010 0.000 2.471 267 N HA 0.083 4.824 4.740 0.002 0.000 0.205 267 N C -0.683 174.819 175.510 -0.014 0.000 1.251 267 N CA -0.232 52.813 53.050 -0.009 0.000 0.843 267 N CB -0.296 38.185 38.487 -0.010 0.000 1.044 267 N HN 0.367 nan 8.380 nan 0.000 0.461 268 L N 1.420 122.633 121.223 -0.016 0.000 2.292 268 L HA 0.330 4.671 4.340 0.002 0.000 0.284 268 L C 0.513 177.371 176.870 -0.020 0.000 1.065 268 L CA -0.712 54.111 54.840 -0.029 0.000 0.806 268 L CB 1.250 43.288 42.059 -0.036 0.000 1.175 268 L HN 0.019 nan 8.230 nan 0.000 0.431 269 R N 1.783 122.252 120.500 -0.051 0.000 2.484 269 R HA 0.231 4.573 4.340 0.002 0.000 0.293 269 R C 1.096 177.400 176.300 0.005 0.000 1.023 269 R CA 1.081 57.154 56.100 -0.045 0.000 1.037 269 R CB 0.275 30.446 30.300 -0.215 0.000 0.951 269 R HN 0.965 nan 8.270 nan 0.000 0.418 270 G N 2.408 111.346 108.800 0.231 0.000 2.284 270 G HA2 -0.350 3.611 3.960 0.002 0.000 0.230 270 G HA3 -0.350 3.611 3.960 0.002 0.000 0.230 270 G C 0.285 175.263 174.900 0.130 0.000 1.021 270 G CA 0.096 45.372 45.100 0.293 0.000 0.619 270 G HN 0.595 nan 8.290 nan 0.000 0.510 271 R N 1.018 121.556 120.500 0.063 0.000 2.522 271 R HA 0.477 4.818 4.340 0.002 0.000 0.284 271 R C -0.102 176.207 176.300 0.014 0.000 1.032 271 R CA 0.002 56.122 56.100 0.033 0.000 1.049 271 R CB -0.018 30.287 30.300 0.007 0.000 0.956 271 R HN 0.328 nan 8.270 nan 0.000 0.422 272 I N 3.461 124.033 120.570 0.002 0.000 2.354 272 I HA 0.144 4.315 4.170 0.002 0.000 0.292 272 I C -0.247 175.780 176.117 -0.150 0.000 0.989 272 I CA -0.800 60.420 61.300 -0.133 0.000 1.188 272 I CB 1.825 39.660 38.000 -0.275 0.000 1.342 272 I HN 0.613 nan 8.210 nan 0.000 0.457 273 E N 6.284 126.388 120.200 -0.160 0.000 2.194 273 E HA 0.319 4.670 4.350 0.002 0.000 0.284 273 E C -1.568 174.937 176.600 -0.159 0.000 1.035 273 E CA 0.002 56.360 56.400 -0.069 0.000 0.836 273 E CB 0.478 30.154 29.700 -0.040 0.000 1.070 273 E HN 0.228 nan 8.360 nan 0.000 0.401 274 F N 3.489 123.459 119.950 0.033 0.000 2.421 274 F HA 0.403 4.931 4.527 0.002 0.000 0.337 274 F C 0.239 176.056 175.800 0.028 0.000 1.105 274 F CA -0.472 57.552 58.000 0.040 0.000 1.049 274 F CB 1.524 40.566 39.000 0.068 0.000 1.139 274 F HN 0.268 nan 8.300 nan 0.000 0.479 275 Q N 4.984 124.901 119.800 0.195 0.000 2.295 275 Q HA 0.308 4.649 4.340 0.002 0.000 0.259 275 Q C -2.612 173.452 176.000 0.106 0.000 0.966 275 Q CA -1.989 53.885 55.803 0.118 0.000 0.763 275 Q CB 2.413 31.185 28.738 0.057 0.000 1.283 275 Q HN 0.295 nan 8.270 nan 0.000 0.445 276 P HA 0.229 nan 4.420 nan 0.000 0.274 276 P C -2.497 174.882 177.300 0.132 0.000 1.260 276 P CA -1.136 62.017 63.100 0.089 0.000 0.793 276 P CB -0.071 31.663 31.700 0.057 0.000 1.048 277 P HA 0.170 nan 4.420 nan 0.000 0.274 277 P C 0.056 177.374 177.300 0.030 0.000 1.237 277 P CA -0.242 62.922 63.100 0.107 0.000 0.793 277 P CB 0.528 32.273 31.700 0.076 0.000 0.977 278 L N 1.636 122.823 121.223 -0.060 0.000 2.640 278 L HA -0.055 4.286 4.340 0.002 0.000 0.280 278 L C 1.416 178.259 176.870 -0.045 0.000 1.229 278 L CA 0.425 55.182 54.840 -0.138 0.000 0.919 278 L CB -0.589 41.336 42.059 -0.224 0.000 1.168 278 L HN 0.342 nan 8.230 nan 0.000 0.496 279 K N 5.427 125.809 120.400 -0.029 0.000 2.542 279 K HA -0.062 4.259 4.320 0.002 0.000 0.276 279 K C -1.262 175.331 176.600 -0.012 0.000 0.963 279 K CA -0.876 55.405 56.287 -0.010 0.000 0.975 279 K CB 0.136 32.634 32.500 -0.004 0.000 0.901 279 K HN 0.437 nan 8.250 nan 0.000 0.506 280 P HA -0.138 nan 4.420 nan 0.000 0.221 280 P C 1.151 178.444 177.300 -0.010 0.000 1.145 280 P CA 0.979 64.079 63.100 -0.000 0.000 0.795 280 P CB 0.087 31.788 31.700 0.003 0.000 0.775 281 V N 0.131 120.032 119.914 -0.022 0.000 2.407 281 V HA -0.210 3.911 4.120 0.002 0.000 0.248 281 V C 2.662 178.712 176.094 -0.074 0.000 1.055 281 V CA 1.511 63.787 62.300 -0.041 0.000 1.049 281 V CB -0.949 30.850 31.823 -0.039 0.000 0.662 281 V HN 0.030 nan 8.190 nan 0.000 0.455 282 I N -0.175 120.347 120.570 -0.080 0.000 2.193 282 I HA -0.231 3.941 4.170 0.002 0.000 0.240 282 I C 2.759 178.848 176.117 -0.047 0.000 1.084 282 I CA 1.368 62.586 61.300 -0.138 0.000 1.365 282 I CB -0.482 37.429 38.000 -0.148 0.000 1.064 282 I HN 0.334 nan 8.210 nan 0.000 0.410 283 Q N 0.672 120.522 119.800 0.084 0.000 2.112 283 Q HA -0.264 4.077 4.340 0.002 0.000 0.206 283 Q C 1.603 177.725 176.000 0.204 0.000 0.987 283 Q CA 1.830 57.776 55.803 0.238 0.000 0.858 283 Q CB -0.353 28.443 28.738 0.098 0.000 0.905 283 Q HN 0.478 nan 8.270 nan 0.000 0.420 284 D N 0.515 120.947 120.400 0.054 0.000 2.219 284 D HA -0.059 4.583 4.640 0.002 0.000 0.205 284 D C 1.668 177.944 176.300 -0.040 0.000 0.970 284 D CA 1.098 55.108 54.000 0.017 0.000 0.851 284 D CB -0.134 40.663 40.800 -0.004 0.000 0.943 284 D HN 0.308 nan 8.370 nan 0.000 0.488 285 A N -0.260 122.474 122.820 -0.144 0.000 2.067 285 A HA -0.101 4.221 4.320 0.002 0.000 0.219 285 A C 1.696 179.096 177.584 -0.306 0.000 1.158 285 A CA 0.549 52.439 52.037 -0.246 0.000 0.661 285 A CB -0.931 17.857 19.000 -0.354 0.000 0.801 285 A HN 0.207 nan 8.150 nan 0.000 0.452 286 F N 0.460 120.334 119.950 -0.127 0.000 2.494 286 F HA -0.128 4.400 4.527 0.002 0.000 0.298 286 F C 1.420 177.092 175.800 -0.214 0.000 1.106 286 F CA 1.096 58.993 58.000 -0.172 0.000 1.452 286 F CB 0.113 39.023 39.000 -0.150 0.000 1.085 286 F HN 0.249 nan 8.300 nan 0.000 0.569 287 D N -0.730 119.662 120.400 -0.013 0.000 2.354 287 D HA -0.010 4.631 4.640 0.002 0.000 0.209 287 D C 1.708 177.992 176.300 -0.028 0.000 1.015 287 D CA 0.530 54.522 54.000 -0.014 0.000 0.867 287 D CB 0.048 40.870 40.800 0.038 0.000 0.933 287 D HN 0.154 nan 8.370 nan 0.000 0.520 288 K N 0.273 120.626 120.400 -0.079 0.000 2.373 288 K HA 0.226 4.548 4.320 0.002 0.000 0.202 288 K C 0.104 176.668 176.600 -0.059 0.000 1.025 288 K CA -0.395 55.874 56.287 -0.030 0.000 1.115 288 K CB 1.380 33.860 32.500 -0.035 0.000 0.858 288 K HN 0.123 nan 8.250 nan 0.000 0.525 289 I N -0.702 119.739 120.570 -0.214 0.000 2.913 289 I HA 0.297 4.468 4.170 0.002 0.000 0.302 289 I C -1.130 174.694 176.117 -0.488 0.000 1.246 289 I CA -0.647 60.542 61.300 -0.185 0.000 1.010 289 I CB 1.693 39.611 38.000 -0.136 0.000 1.259 289 I HN 0.052 nan 8.210 nan 0.000 0.434 290 H N 3.980 122.909 119.070 -0.235 0.000 3.471 290 H HA 0.671 5.228 4.556 0.002 0.000 0.318 290 H C -1.686 173.621 175.328 -0.035 0.000 1.676 290 H CA -0.410 55.449 56.048 -0.314 0.000 1.293 290 H CB 1.058 30.150 29.762 -1.117 0.000 1.738 290 H HN 0.390 nan 8.280 nan 0.000 0.690 291 F N 0.404 120.282 119.950 -0.121 0.000 2.547 291 F HA 0.572 5.100 4.527 0.002 0.000 0.316 291 F C 0.550 176.334 175.800 -0.028 0.000 1.121 291 F CA -0.453 57.512 58.000 -0.060 0.000 0.911 291 F CB 1.599 40.581 39.000 -0.030 0.000 1.179 291 F HN 0.593 nan 8.300 nan 0.000 0.443 292 G N 1.522 110.169 108.800 -0.256 0.000 2.537 292 G HA2 0.592 4.553 3.960 0.002 0.000 0.297 292 G HA3 0.592 4.553 3.960 0.002 0.000 0.297 292 G C -1.256 173.514 174.900 -0.217 0.000 1.310 292 G CA -0.369 44.619 45.100 -0.186 0.000 1.027 292 G HN 0.964 nan 8.290 nan 0.000 0.505 293 A N -0.150 122.587 122.820 -0.138 0.000 3.410 293 A HA 0.501 4.823 4.320 0.002 0.000 0.276 293 A C -0.396 177.161 177.584 -0.046 0.000 0.995 293 A CA -0.410 51.590 52.037 -0.062 0.000 0.934 293 A CB 0.089 19.125 19.000 0.061 0.000 1.191 293 A HN 0.647 nan 8.150 nan 0.000 0.511 294 L N 1.038 122.167 121.223 -0.156 0.000 2.467 294 L HA 0.689 5.030 4.340 0.002 0.000 0.270 294 L C 0.550 177.470 176.870 0.083 0.000 1.205 294 L CA 1.033 55.861 54.840 -0.019 0.000 0.828 294 L CB 0.996 43.049 42.059 -0.009 0.000 1.101 294 L HN 0.564 nan 8.230 nan 0.000 0.479 295 G N 3.081 111.958 108.800 0.129 0.000 2.692 295 G HA2 0.566 4.527 3.960 0.002 0.000 0.291 295 G HA3 0.566 4.527 3.960 0.002 0.000 0.291 295 G C -1.682 173.291 174.900 0.121 0.000 1.423 295 G CA -0.785 44.411 45.100 0.160 0.000 0.843 295 G HN 0.553 nan 8.290 nan 0.000 0.486 296 K N -0.619 119.835 120.400 0.090 0.000 2.395 296 K HA 0.757 5.078 4.320 0.002 0.000 0.247 296 K C -1.488 175.040 176.600 -0.120 0.000 0.973 296 K CA -0.929 55.364 56.287 0.009 0.000 0.828 296 K CB 3.152 35.687 32.500 0.058 0.000 1.272 296 K HN 0.260 nan 8.250 nan 0.000 0.439 297 V N 3.272 123.044 119.914 -0.238 0.000 2.610 297 V HA 0.293 4.414 4.120 0.002 0.000 0.298 297 V C -1.052 174.706 176.094 -0.560 0.000 1.067 297 V CA -0.864 61.153 62.300 -0.472 0.000 0.894 297 V CB 1.639 33.056 31.823 -0.677 0.000 1.015 297 V HN 0.615 nan 8.190 nan 0.000 0.432 298 I N 4.969 125.201 120.570 -0.563 0.000 2.321 298 I HA 0.476 4.647 4.170 0.002 0.000 0.291 298 I C -0.538 175.219 176.117 -0.600 0.000 0.998 298 I CA -0.375 60.634 61.300 -0.485 0.000 1.227 298 I CB 1.034 38.673 38.000 -0.603 0.000 1.368 298 I HN 0.390 nan 8.210 nan 0.000 0.466 299 F N 4.445 124.264 119.950 -0.217 0.000 2.388 299 F HA 0.378 4.906 4.527 0.002 0.000 0.358 299 F C 0.767 176.292 175.800 -0.459 0.000 1.122 299 F CA -0.626 57.155 58.000 -0.366 0.000 1.056 299 F CB 0.942 39.747 39.000 -0.325 0.000 1.155 299 F HN 0.392 nan 8.300 nan 0.000 0.461 300 E N 3.730 123.697 120.200 -0.388 0.000 2.175 300 E HA 0.482 4.833 4.350 0.002 0.000 0.278 300 E C -1.170 175.140 176.600 -0.483 0.000 0.969 300 E CA -0.558 55.692 56.400 -0.250 0.000 0.796 300 E CB 1.479 31.108 29.700 -0.118 0.000 1.104 300 E HN 0.333 nan 8.360 nan 0.000 0.395 301 F N 0.750 120.717 119.950 0.028 0.000 2.556 301 F HA 0.185 4.713 4.527 0.002 0.000 0.327 301 F C 1.569 177.379 175.800 0.017 0.000 1.059 301 F CA -0.897 57.109 58.000 0.010 0.000 0.953 301 F CB 1.140 40.243 39.000 0.170 0.000 1.227 301 F HN 0.401 nan 8.300 nan 0.000 0.478 302 E N 0.999 121.306 120.200 0.177 0.000 2.038 302 E HA -0.152 4.200 4.350 0.002 0.000 0.195 302 E C -0.345 176.348 176.600 0.155 0.000 1.000 302 E CA 1.762 58.251 56.400 0.148 0.000 0.803 302 E CB 0.072 29.830 29.700 0.097 0.000 0.750 302 E HN 0.695 nan 8.360 nan 0.000 0.448 303 E N -2.315 117.939 120.200 0.091 0.000 2.407 303 E HA 0.261 4.612 4.350 0.002 0.000 0.279 303 E C -1.315 175.119 176.600 -0.277 0.000 1.012 303 E CA -0.823 55.554 56.400 -0.038 0.000 0.800 303 E CB 0.598 30.271 29.700 -0.045 0.000 1.276 303 E HN 0.084 nan 8.360 nan 0.000 0.452 304 C N 1.880 120.889 119.300 -0.486 0.000 2.629 304 C HA 0.454 4.915 4.460 0.002 0.000 0.410 304 C C 0.969 175.491 174.990 -0.780 0.000 1.339 304 C CA 0.112 58.467 59.018 -1.105 0.000 1.810 304 C CB -1.438 25.765 27.740 -0.895 0.000 2.549 304 C HN 0.749 nan 8.230 nan 0.000 0.589 305 C N 5.236 124.038 119.300 -0.830 0.000 3.214 305 C HA 0.639 5.100 4.460 0.002 0.000 0.261 305 C C -0.688 174.247 174.990 -0.090 0.000 2.279 305 C CA -0.776 58.060 59.018 -0.303 0.000 1.606 305 C CB -2.202 25.467 27.740 -0.119 0.000 3.251 305 C HN 1.003 nan 8.230 nan 0.000 0.443 306 W N -0.617 120.646 121.300 -0.062 0.000 3.047 306 W HA 0.761 5.421 4.660 0.001 0.000 0.341 306 W C -0.326 176.182 176.519 -0.018 0.000 1.225 306 W CA -1.151 56.167 57.345 -0.045 0.000 1.150 306 W CB 0.182 29.610 29.460 -0.053 0.000 1.470 306 W HN 0.100 nan 8.180 nan 0.000 0.578 307 S N 1.192 117.063 115.700 0.285 0.000 2.562 307 S HA 0.123 4.595 4.470 0.002 0.000 0.281 307 S C 0.071 174.806 174.600 0.224 0.000 1.333 307 S CA -0.005 58.297 58.200 0.171 0.000 1.052 307 S CB 0.037 63.304 63.200 0.112 0.000 0.884 307 S HN 0.501 nan 8.310 nan 0.000 0.506 308 N N 3.246 122.017 118.700 0.118 0.000 2.538 308 N HA 0.122 4.863 4.740 0.002 0.000 0.291 308 N C 0.909 176.456 175.510 0.063 0.000 1.323 308 N CA -0.149 52.965 53.050 0.107 0.000 0.934 308 N CB 0.610 39.136 38.487 0.065 0.000 1.255 308 N HN 0.814 nan 8.380 nan 0.000 0.509 309 E N -0.003 120.230 120.200 0.055 0.000 2.051 309 E HA -0.076 4.275 4.350 0.002 0.000 0.192 309 E C 0.059 176.675 176.600 0.027 0.000 0.991 309 E CA 0.762 57.184 56.400 0.037 0.000 0.799 309 E CB 0.335 30.054 29.700 0.032 0.000 0.748 309 E HN 0.132 nan 8.360 nan 0.000 0.449 310 S N -2.049 113.652 115.700 0.003 0.000 2.618 310 S HA 0.259 4.730 4.470 0.002 0.000 0.277 310 S C -0.001 174.560 174.600 -0.065 0.000 1.138 310 S CA -0.198 57.988 58.200 -0.025 0.000 0.844 310 S CB 1.747 64.918 63.200 -0.049 0.000 1.127 310 S HN 0.159 nan 8.310 nan 0.000 0.474 311 S N 1.142 116.792 115.700 -0.083 0.000 2.539 311 S HA 0.415 4.887 4.470 0.002 0.000 0.221 311 S C -0.247 174.222 174.600 -0.219 0.000 0.987 311 S CA -0.380 57.746 58.200 -0.123 0.000 0.929 311 S CB -0.089 63.071 63.200 -0.067 0.000 0.832 311 S HN 0.467 nan 8.310 nan 0.000 0.492 312 K N 1.643 121.877 120.400 -0.276 0.000 2.450 312 K HA 0.580 4.901 4.320 0.002 0.000 0.257 312 K C -1.311 175.020 176.600 -0.448 0.000 0.953 312 K CA -0.215 55.814 56.287 -0.429 0.000 0.844 312 K CB 1.892 33.927 32.500 -0.775 0.000 1.103 312 K HN 0.284 nan 8.250 nan 0.000 0.429 313 I N 2.153 122.511 120.570 -0.354 0.000 2.533 313 I HA 0.376 4.547 4.170 0.002 0.000 0.290 313 I C -0.700 175.418 176.117 0.002 0.000 1.056 313 I CA -1.228 59.928 61.300 -0.239 0.000 1.057 313 I CB 2.339 40.163 38.000 -0.293 0.000 1.240 313 I HN 0.055 nan 8.210 nan 0.000 0.423 314 V N 3.665 123.604 119.914 0.042 0.000 2.588 314 V HA 0.462 4.583 4.120 0.002 0.000 0.304 314 V C -0.084 176.193 176.094 0.305 0.000 1.042 314 V CA -0.582 61.898 62.300 0.299 0.000 0.877 314 V CB 2.327 34.408 31.823 0.431 0.000 0.996 314 V HN 0.836 nan 8.190 nan 0.000 0.425 315 T N 3.643 118.401 114.554 0.340 0.000 2.767 315 T HA 0.747 5.098 4.350 0.002 0.000 0.284 315 T C -0.384 174.525 174.700 0.349 0.000 0.973 315 T CA -0.549 61.734 62.100 0.304 0.000 0.996 315 T CB 0.739 69.707 68.868 0.167 0.000 0.927 315 T HN 0.347 nan 8.240 nan 0.000 0.456 316 L N 2.383 123.834 121.223 0.380 0.000 2.439 316 L HA 0.642 4.983 4.340 0.002 0.000 0.261 316 L C 1.057 178.137 176.870 0.350 0.000 1.153 316 L CA -1.204 53.825 54.840 0.315 0.000 0.808 316 L CB 0.442 42.663 42.059 0.271 0.000 1.126 316 L HN 0.858 nan 8.230 nan 0.000 0.460 317 A N 1.402 124.355 122.820 0.220 0.000 2.322 317 A HA 0.286 4.607 4.320 0.002 0.000 0.269 317 A C -0.086 177.602 177.584 0.174 0.000 1.094 317 A CA -0.647 51.521 52.037 0.218 0.000 0.807 317 A CB 0.050 19.101 19.000 0.085 0.000 1.047 317 A HN 0.764 nan 8.150 nan 0.000 0.487 318 N N 0.977 119.772 118.700 0.160 0.000 2.353 318 N HA 0.152 4.894 4.740 0.002 0.000 0.248 318 N C 0.195 175.709 175.510 0.007 0.000 1.240 318 N CA 0.968 54.043 53.050 0.041 0.000 0.862 318 N CB 0.395 38.877 38.487 -0.007 0.000 1.086 318 N HN 0.777 nan 8.380 nan 0.000 0.453 319 S N -1.147 114.532 115.700 -0.036 0.000 2.570 319 S HA 0.745 5.216 4.470 0.002 0.000 0.286 319 S C -0.144 174.399 174.600 -0.095 0.000 1.099 319 S CA -0.925 57.211 58.200 -0.107 0.000 0.913 319 S CB 1.898 64.958 63.200 -0.234 0.000 1.085 319 S HN 0.566 nan 8.310 nan 0.000 0.480 320 T N -2.328 112.195 114.554 -0.053 0.000 2.942 320 T HA 0.643 4.994 4.350 0.002 0.000 0.289 320 T C 0.989 175.699 174.700 0.017 0.000 1.044 320 T CA -0.253 61.841 62.100 -0.010 0.000 1.023 320 T CB 0.775 69.660 68.868 0.029 0.000 1.123 320 T HN 0.882 nan 8.240 nan 0.000 0.512 321 N N 0.106 118.811 118.700 0.009 0.000 2.457 321 N HA 0.026 4.767 4.740 0.002 0.000 0.180 321 N C 1.540 177.065 175.510 0.024 0.000 1.050 321 N CA 1.024 54.080 53.050 0.010 0.000 0.906 321 N CB -0.836 37.651 38.487 -0.001 0.000 0.968 321 N HN 0.835 nan 8.380 nan 0.000 0.445 322 E N -0.435 119.791 120.200 0.044 0.000 2.107 322 E HA 0.046 4.398 4.350 0.002 0.000 0.191 322 E C 1.542 178.172 176.600 0.050 0.000 0.982 322 E CA 0.539 56.961 56.400 0.036 0.000 0.809 322 E CB -0.428 29.297 29.700 0.042 0.000 0.756 322 E HN 0.666 nan 8.360 nan 0.000 0.459 323 F N 1.108 121.044 119.950 -0.024 0.000 2.091 323 F HA -0.283 4.246 4.527 0.002 0.000 0.299 323 F C 1.883 177.665 175.800 -0.030 0.000 1.103 323 F CA 1.223 59.214 58.000 -0.015 0.000 1.228 323 F CB -0.464 38.533 39.000 -0.005 0.000 0.984 323 F HN -0.134 nan 8.300 nan 0.000 0.477 324 V N 0.623 120.468 119.914 -0.115 0.000 2.233 324 V HA -0.319 3.802 4.120 0.002 0.000 0.247 324 V C 2.798 178.765 176.094 -0.212 0.000 1.050 324 V CA 2.720 64.904 62.300 -0.194 0.000 1.010 324 V CB -1.877 29.909 31.823 -0.062 0.000 0.637 324 V HN 0.530 nan 8.190 nan 0.000 0.444 325 E N -0.031 120.092 120.200 -0.129 0.000 2.097 325 E HA -0.266 4.085 4.350 0.002 0.000 0.196 325 E C 1.943 178.456 176.600 -0.145 0.000 1.000 325 E CA 2.082 58.415 56.400 -0.111 0.000 0.804 325 E CB -0.723 28.937 29.700 -0.067 0.000 0.740 325 E HN 0.680 nan 8.360 nan 0.000 0.454 326 I N 0.273 120.737 120.570 -0.176 0.000 2.226 326 I HA -0.209 3.962 4.170 0.002 0.000 0.245 326 I C 2.603 178.567 176.117 -0.254 0.000 1.100 326 I CA 1.102 62.292 61.300 -0.184 0.000 1.374 326 I CB -0.199 37.705 38.000 -0.161 0.000 1.057 326 I HN 0.217 nan 8.210 nan 0.000 0.413 327 V N 0.824 120.495 119.914 -0.405 0.000 2.407 327 V HA -0.229 3.892 4.120 0.002 0.000 0.248 327 V C 2.638 178.578 176.094 -0.257 0.000 1.055 327 V CA 1.626 63.686 62.300 -0.400 0.000 1.049 327 V CB -0.742 30.747 31.823 -0.556 0.000 0.662 327 V HN 0.362 nan 8.190 nan 0.000 0.455 328 R N 0.688 121.057 120.500 -0.219 0.000 2.075 328 R HA -0.037 4.305 4.340 0.002 0.000 0.232 328 R C 1.896 178.113 176.300 -0.137 0.000 1.126 328 R CA 1.201 57.202 56.100 -0.165 0.000 0.963 328 R CB -0.911 29.307 30.300 -0.136 0.000 0.858 328 R HN 0.545 nan 8.270 nan 0.000 0.435 329 N N 0.865 119.490 118.700 -0.126 0.000 2.463 329 N HA 0.027 4.768 4.740 0.002 0.000 0.181 329 N C 0.369 175.821 175.510 -0.097 0.000 1.078 329 N CA 0.341 53.332 53.050 -0.099 0.000 0.902 329 N CB -0.075 38.363 38.487 -0.082 0.000 0.970 329 N HN 0.095 nan 8.380 nan 0.000 0.451 330 A N 1.070 123.819 122.820 -0.118 0.000 2.587 330 A HA 0.260 4.581 4.320 0.002 0.000 0.233 330 A C 1.439 178.970 177.584 -0.089 0.000 1.049 330 A CA 0.962 52.936 52.037 -0.105 0.000 0.754 330 A CB 0.132 nan 19.000 nan 0.000 0.977 330 A HN 0.453 nan 8.150 nan 0.000 0.509 331 E N 1.915 122.073 120.200 -0.070 0.000 2.065 331 E HA 0.093 4.444 4.350 0.002 0.000 0.191 331 E C 0.843 177.407 176.600 -0.059 0.000 0.960 331 E CA 1.281 57.645 56.400 -0.060 0.000 0.824 331 E CB -0.315 29.357 29.700 -0.046 0.000 0.793 331 E HN 1.034 nan 8.360 nan 0.000 0.459 332 N N -2.871 115.797 118.700 -0.053 0.000 3.574 332 N HA 0.435 5.176 4.740 0.002 0.000 0.340 332 N C 1.462 176.944 175.510 -0.047 0.000 1.650 332 N CA 0.605 53.626 53.050 -0.048 0.000 0.762 332 N CB 0.524 38.990 38.487 -0.035 0.000 2.206 332 N HN 0.596 nan 8.380 nan 0.000 0.621 333 L N 0.475 121.677 121.223 -0.036 0.000 1.961 333 L HA -0.087 4.254 4.340 0.002 0.000 0.210 333 L C 2.207 179.063 176.870 -0.023 0.000 1.072 333 L CA 3.160 57.981 54.840 -0.030 0.000 0.749 333 L CB -2.281 39.767 42.059 -0.018 0.000 0.889 333 L HN 0.725 nan 8.230 nan 0.000 0.432 334 D N -1.033 119.357 120.400 -0.016 0.000 2.123 334 D HA -0.197 4.444 4.640 0.002 0.000 0.196 334 D C 2.067 178.359 176.300 -0.013 0.000 0.992 334 D CA 1.223 55.218 54.000 -0.010 0.000 0.833 334 D CB -0.224 40.571 40.800 -0.008 0.000 0.954 334 D HN 0.679 nan 8.370 nan 0.000 0.455 335 E N -0.122 120.065 120.200 -0.022 0.000 2.118 335 E HA -0.159 4.192 4.350 0.002 0.000 0.195 335 E C 1.989 178.573 176.600 -0.028 0.000 0.992 335 E CA 0.508 56.892 56.400 -0.026 0.000 0.804 335 E CB -0.115 29.563 29.700 -0.036 0.000 0.741 335 E HN 0.231 nan 8.360 nan 0.000 0.458 336 L N 1.537 122.739 121.223 -0.035 0.000 2.072 336 L HA -0.117 4.225 4.340 0.002 0.000 0.205 336 L C 2.212 179.083 176.870 0.003 0.000 1.079 336 L CA 2.649 57.468 54.840 -0.035 0.000 0.752 336 L CB -0.977 41.046 42.059 -0.060 0.000 0.906 336 L HN 0.143 nan 8.230 nan 0.000 0.436 337 D N -1.441 118.964 120.400 0.008 0.000 2.182 337 D HA -0.144 4.497 4.640 0.002 0.000 0.201 337 D C 2.046 178.364 176.300 0.030 0.000 0.986 337 D CA 1.773 55.794 54.000 0.034 0.000 0.847 337 D CB -0.682 40.133 40.800 0.025 0.000 0.942 337 D HN 0.704 nan 8.370 nan 0.000 0.467 338 S N -0.121 115.586 115.700 0.012 0.000 2.317 338 S HA 0.108 4.579 4.470 0.002 0.000 0.212 338 S C 2.210 176.816 174.600 0.011 0.000 1.030 338 S CA 1.473 59.678 58.200 0.008 0.000 0.970 338 S CB -0.464 nan 63.200 nan 0.000 0.928 338 S HN 0.438 nan 8.310 nan 0.000 0.451 339 M N 0.716 120.317 119.600 0.002 0.000 2.153 339 M HA -0.124 4.357 4.480 0.002 0.000 0.253 339 M C 0.107 176.421 176.300 0.023 0.000 1.081 339 M CA 0.849 56.150 55.300 0.002 0.000 1.076 339 M CB -0.785 31.805 32.600 -0.017 0.000 1.350 339 M HN 0.278 nan 8.290 nan 0.000 0.401 340 L N 1.898 123.149 121.223 0.046 0.000 2.505 340 L HA 0.157 4.498 4.340 0.002 0.000 0.279 340 L C 0.257 177.159 176.870 0.053 0.000 1.211 340 L CA -0.192 54.699 54.840 0.085 0.000 1.059 340 L CB -0.942 41.206 42.059 0.149 0.000 1.340 340 L HN 0.287 nan 8.230 nan 0.000 0.447 341 E N 1.331 121.555 120.200 0.039 0.000 2.883 341 E HA 0.680 5.031 4.350 0.002 0.000 0.355 341 E C -0.802 175.808 176.600 0.017 0.000 0.939 341 E CA -0.174 56.237 56.400 0.019 0.000 0.783 341 E CB 0.899 30.605 29.700 0.010 0.000 1.361 341 E HN 0.526 nan 8.360 nan 0.000 0.413 342 R N -0.395 120.114 120.500 0.014 0.000 2.922 342 R HA 1.048 5.389 4.340 0.002 0.000 0.256 342 R C 0.263 176.566 176.300 0.006 0.000 1.138 342 R CA 0.592 56.700 56.100 0.012 0.000 0.995 342 R CB 0.159 30.471 30.300 0.020 0.000 1.226 342 R HN 1.974 nan 8.270 nan 0.000 0.481 350 S N 0.104 115.805 115.700 0.002 0.000 2.671 350 S HA 0.862 5.333 4.470 0.002 0.000 0.272 350 S C 0.203 174.805 174.600 0.002 0.000 1.174 350 S CA -0.480 57.719 58.200 -0.001 0.000 1.004 350 S CB 0.654 nan 63.200 nan 0.000 1.077 350 S HN 0.613 nan 8.310 nan 0.000 0.553 351 V N 1.888 121.801 119.914 -0.001 0.000 2.435 351 V HA 0.674 4.795 4.120 0.002 0.000 0.290 351 V C 0.609 176.719 176.094 0.027 0.000 1.030 351 V CA 0.109 62.419 62.300 0.017 0.000 0.881 351 V CB 0.904 32.730 31.823 0.004 0.000 0.983 351 V HN 1.149 nan 8.190 nan 0.000 0.445 352 T N 0.122 114.654 114.554 -0.038 0.000 2.693 352 T HA 0.205 4.556 4.350 0.002 0.000 0.278 352 T C 1.295 175.740 174.700 -0.425 0.000 0.994 352 T CA 0.092 62.007 62.100 -0.308 0.000 1.033 352 T CB 1.121 69.870 68.868 -0.198 0.000 1.342 352 T HN 0.753 nan 8.240 nan 0.000 0.538 353 C N -1.893 116.902 119.300 -0.842 0.000 2.437 353 C HA 0.212 4.674 4.460 0.002 0.000 0.283 353 C C 1.652 176.374 174.990 -0.447 0.000 1.424 353 C CA -0.460 58.142 59.018 -0.695 0.000 1.782 353 C CB -2.122 25.082 27.740 -0.892 0.000 1.833 353 C HN 0.772 nan 8.230 nan 0.000 0.532 354 W N 1.188 122.420 121.300 -0.115 0.000 3.316 354 W HA 0.278 4.939 4.660 0.002 0.000 0.327 354 W C 2.095 178.608 176.519 -0.010 0.000 1.232 354 W CA -0.131 57.195 57.345 -0.032 0.000 1.805 354 W CB -0.142 29.291 29.460 -0.044 0.000 1.090 354 W HN 0.116 nan 8.180 nan 0.000 0.654 355 S N 0.586 116.372 115.700 0.144 0.000 2.593 355 S HA -0.000 4.471 4.470 0.002 0.000 0.217 355 S C 0.555 175.213 174.600 0.097 0.000 0.966 355 S CA 0.361 58.628 58.200 0.113 0.000 0.914 355 S CB -0.183 63.064 63.200 0.079 0.000 0.776 355 S HN 0.244 nan 8.310 nan 0.000 0.523 356 Q N 0.178 120.039 119.800 0.102 0.000 2.527 356 Q HA 0.339 4.681 4.340 0.002 0.000 0.280 356 Q C -3.610 172.456 176.000 0.109 0.000 0.977 356 Q CA -2.169 53.678 55.803 0.075 0.000 0.837 356 Q CB 0.696 29.487 28.738 0.087 0.000 1.454 356 Q HN -0.092 nan 8.270 nan 0.000 0.387 357 P HA 0.284 nan 4.420 nan 0.000 0.271 357 P C -0.654 176.779 177.300 0.222 0.000 1.216 357 P CA -0.080 63.125 63.100 0.175 0.000 0.776 357 P CB 0.788 32.582 31.700 0.156 0.000 0.881 358 L N 3.070 124.465 121.223 0.286 0.000 2.381 358 L HA 0.508 4.849 4.340 0.002 0.000 0.268 358 L C -0.285 176.809 176.870 0.373 0.000 0.997 358 L CA -0.999 54.012 54.840 0.285 0.000 0.818 358 L CB 1.883 44.145 42.059 0.339 0.000 1.310 358 L HN 0.283 nan 8.230 nan 0.000 0.416 359 F N 3.269 123.248 119.950 0.047 0.000 2.375 359 F HA 0.594 5.123 4.527 0.003 0.000 0.361 359 F C -1.213 174.525 175.800 -0.104 0.000 1.117 359 F CA -0.987 57.052 58.000 0.065 0.000 1.037 359 F CB 0.661 39.711 39.000 0.084 0.000 1.192 359 F HN 0.072 nan 8.300 nan 0.000 0.452 360 F N 5.356 124.988 119.950 -0.530 0.000 2.436 360 F HA 0.572 5.100 4.527 0.002 0.000 0.340 360 F C -0.347 174.900 175.800 -0.921 0.000 1.113 360 F CA -1.129 56.499 58.000 -0.621 0.000 1.022 360 F CB 1.653 40.376 39.000 -0.463 0.000 1.128 360 F HN 0.088 nan 8.300 nan 0.000 0.466 361 V N 3.225 122.793 119.914 -0.576 0.000 2.370 361 V HA 0.202 4.324 4.120 0.002 0.000 0.283 361 V C -0.037 175.851 176.094 -0.343 0.000 1.023 361 V CA -0.998 61.030 62.300 -0.454 0.000 0.857 361 V CB 1.334 33.016 31.823 -0.235 0.000 0.985 361 V HN 0.784 nan 8.190 nan 0.000 0.443 362 N N 4.843 123.317 118.700 -0.377 0.000 2.555 362 N HA 0.218 4.960 4.740 0.002 0.000 0.244 362 N C 0.994 176.515 175.510 0.019 0.000 1.114 362 N CA -0.484 52.405 53.050 -0.268 0.000 0.963 362 N CB 0.619 38.935 38.487 -0.285 0.000 1.276 362 N HN 0.688 nan 8.380 nan 0.000 0.510 363 L N 2.027 123.337 121.223 0.145 0.000 2.265 363 L HA -0.153 4.189 4.340 0.002 0.000 0.215 363 L C 2.523 179.491 176.870 0.163 0.000 1.117 363 L CA 0.589 55.502 54.840 0.121 0.000 0.782 363 L CB -0.426 41.761 42.059 0.212 0.000 0.914 363 L HN 0.539 nan 8.230 nan 0.000 0.441 364 S N 0.062 115.936 115.700 0.291 0.000 2.382 364 S HA -0.242 4.229 4.470 0.002 0.000 0.228 364 S C 2.078 176.747 174.600 0.115 0.000 1.027 364 S CA 1.701 60.030 58.200 0.216 0.000 0.991 364 S CB -0.004 63.355 63.200 0.266 0.000 0.823 364 S HN 0.425 nan 8.310 nan 0.000 0.469 365 K N 0.398 120.866 120.400 0.113 0.000 2.044 365 K HA -0.035 4.287 4.320 0.002 0.000 0.204 365 K C 2.331 178.956 176.600 0.041 0.000 1.049 365 K CA 1.544 57.868 56.287 0.063 0.000 0.945 365 K CB -0.397 32.136 32.500 0.055 0.000 0.724 365 K HN 0.515 nan 8.250 nan 0.000 0.440 366 S N -0.378 115.331 115.700 0.016 0.000 2.387 366 S HA -0.098 4.373 4.470 0.002 0.000 0.226 366 S C 1.857 176.461 174.600 0.008 0.000 1.026 366 S CA 1.456 59.651 58.200 -0.009 0.000 0.972 366 S CB -0.252 62.882 63.200 -0.109 0.000 0.814 366 S HN 0.541 nan 8.310 nan 0.000 0.477 367 T N -4.371 110.192 114.554 0.015 0.000 2.986 367 T HA 0.569 4.921 4.350 0.002 0.000 0.264 367 T C 1.483 176.213 174.700 0.049 0.000 0.964 367 T CA 0.627 62.753 62.100 0.044 0.000 0.895 367 T CB 0.316 69.219 68.868 0.059 0.000 1.163 367 T HN 1.172 nan 8.240 nan 0.000 0.517 368 G N 1.138 109.972 108.800 0.056 0.000 2.176 368 G HA2 -0.222 3.739 3.960 0.002 0.000 0.253 368 G HA3 -0.222 3.739 3.960 0.002 0.000 0.253 368 G C 0.010 174.951 174.900 0.067 0.000 0.979 368 G CA 0.005 45.133 45.100 0.047 0.000 0.641 368 G HN 0.752 nan 8.290 nan 0.000 0.530 369 V N 0.984 120.964 119.914 0.110 0.000 2.567 369 V HA 0.680 4.801 4.120 0.002 0.000 0.289 369 V C 1.069 177.316 176.094 0.255 0.000 1.049 369 V CA 0.035 62.429 62.300 0.158 0.000 0.969 369 V CB 1.699 33.616 31.823 0.156 0.000 0.995 369 V HN 1.077 nan 8.190 nan 0.000 0.471 370 A N 3.908 126.892 122.820 0.272 0.000 3.063 370 A HA 0.599 4.920 4.320 0.002 0.000 0.263 370 A C 0.403 178.371 177.584 0.640 0.000 1.736 370 A CA 0.077 52.346 52.037 0.386 0.000 1.408 370 A CB -0.575 18.553 19.000 0.213 0.000 1.108 370 A HN 0.728 nan 8.150 nan 0.000 0.621 371 S N -0.297 115.813 115.700 0.684 0.000 2.570 371 S HA 0.641 5.113 4.470 0.002 0.000 0.270 371 S C -0.961 174.110 174.600 0.784 0.000 1.149 371 S CA -0.510 58.088 58.200 0.665 0.000 0.837 371 S CB 1.146 64.655 63.200 0.516 0.000 1.124 371 S HN 0.449 nan 8.310 nan 0.000 0.465 372 F N 1.965 122.135 119.950 0.367 0.000 2.458 372 F HA 0.512 5.041 4.527 0.003 0.000 0.336 372 F C 0.165 176.076 175.800 0.185 0.000 1.114 372 F CA -0.928 57.225 58.000 0.255 0.000 0.987 372 F CB 1.528 40.718 39.000 0.315 0.000 1.130 372 F HN 0.265 nan 8.300 nan 0.000 0.458 373 M N 6.711 126.441 119.600 0.217 0.000 2.066 373 M HA 0.381 4.862 4.480 0.002 0.000 0.340 373 M C -1.332 174.923 176.300 -0.074 0.000 1.053 373 M CA -0.320 55.024 55.300 0.074 0.000 0.983 373 M CB 1.090 33.742 32.600 0.087 0.000 1.520 373 M HN 0.670 nan 8.290 nan 0.000 0.428 374 M N 4.979 124.495 119.600 -0.139 0.000 2.336 374 M HA 0.460 4.942 4.480 0.002 0.000 0.342 374 M C -1.998 174.184 176.300 -0.197 0.000 1.128 374 M CA -0.850 54.211 55.300 -0.398 0.000 1.016 374 M CB 1.367 33.549 32.600 -0.697 0.000 1.665 374 M HN 0.637 nan 8.290 nan 0.000 0.445 375 L N 6.020 127.187 121.223 -0.093 0.000 2.317 375 L HA 0.623 4.964 4.340 0.002 0.000 0.281 375 L C -0.194 176.733 176.870 0.096 0.000 1.024 375 L CA -0.139 54.760 54.840 0.099 0.000 0.810 375 L CB 1.804 44.044 42.059 0.302 0.000 1.240 375 L HN 0.780 nan 8.230 nan 0.000 0.427 376 M N 1.889 121.555 119.600 0.111 0.000 2.644 376 M HA 0.715 5.197 4.480 0.002 0.000 0.304 376 M C -0.808 175.573 176.300 0.135 0.000 1.215 376 M CA -0.819 54.564 55.300 0.139 0.000 0.871 376 M CB 2.297 34.990 32.600 0.154 0.000 1.740 376 M HN 0.554 nan 8.290 nan 0.000 0.464 377 Q N 1.851 121.735 119.800 0.140 0.000 2.699 377 Q HA 0.863 5.204 4.340 0.002 0.000 0.240 377 Q C -1.341 174.728 176.000 0.114 0.000 1.033 377 Q CA -0.826 55.052 55.803 0.124 0.000 0.938 377 Q CB 1.520 30.343 28.738 0.141 0.000 1.312 377 Q HN 0.910 nan 8.270 nan 0.000 0.507 378 A N 1.093 123.979 122.820 0.109 0.000 2.303 378 A HA 0.518 4.839 4.320 0.002 0.000 0.317 378 A C -1.818 175.829 177.584 0.105 0.000 1.149 378 A CA -1.482 50.618 52.037 0.105 0.000 0.822 378 A CB 0.542 19.607 19.000 0.110 0.000 1.131 378 A HN 0.716 nan 8.150 nan 0.000 0.493 379 P HA -0.076 nan 4.420 nan 0.000 0.236 379 P C 1.394 178.752 177.300 0.096 0.000 1.177 379 P CA 0.313 63.464 63.100 0.085 0.000 0.773 379 P CB 0.148 31.886 31.700 0.063 0.000 0.878 380 L N 1.048 122.332 121.223 0.101 0.000 2.021 380 L HA -0.170 4.171 4.340 0.002 0.000 0.215 380 L C 2.275 179.211 176.870 0.110 0.000 1.074 380 L CA 2.396 57.302 54.840 0.110 0.000 0.760 380 L CB -1.791 40.348 42.059 0.133 0.000 0.889 380 L HN -0.059 nan 8.230 nan 0.000 0.433 381 T N 0.034 114.651 114.554 0.105 0.000 2.653 381 T HA -0.231 4.120 4.350 0.002 0.000 0.268 381 T C 1.608 176.348 174.700 0.067 0.000 1.035 381 T CA 2.043 64.196 62.100 0.087 0.000 1.154 381 T CB -0.532 68.392 68.868 0.092 0.000 0.862 381 T HN 0.485 nan 8.240 nan 0.000 0.441 382 N N 0.311 119.059 118.700 0.080 0.000 2.120 382 N HA -0.122 4.620 4.740 0.002 0.000 0.188 382 N C 1.744 177.279 175.510 0.041 0.000 1.024 382 N CA 1.118 54.206 53.050 0.063 0.000 0.852 382 N CB -0.408 38.127 38.487 0.079 0.000 1.003 382 N HN 0.504 nan 8.380 nan 0.000 0.424 383 H N 0.582 119.641 119.070 -0.018 0.000 2.363 383 H HA 0.041 4.598 4.556 0.002 0.000 0.301 383 H C 1.585 176.858 175.328 -0.093 0.000 1.074 383 H CA 0.967 56.984 56.048 -0.051 0.000 1.354 383 H CB 0.086 29.812 29.762 -0.059 0.000 1.397 383 H HN 0.083 nan 8.280 nan 0.000 0.516 384 I N 1.504 122.017 120.570 -0.096 0.000 2.315 384 I HA -0.169 4.002 4.170 0.002 0.000 0.248 384 I C 2.051 178.079 176.117 -0.149 0.000 1.117 384 I CA 1.026 62.231 61.300 -0.157 0.000 1.404 384 I CB -0.868 37.115 38.000 -0.029 0.000 1.071 384 I HN 0.348 nan 8.210 nan 0.000 0.419 385 E N 0.467 120.606 120.200 -0.100 0.000 2.358 385 E HA -0.090 4.261 4.350 0.002 0.000 0.195 385 E C 1.701 178.228 176.600 -0.123 0.000 1.010 385 E CA 0.936 57.277 56.400 -0.099 0.000 0.856 385 E CB 0.016 29.680 29.700 -0.060 0.000 0.795 385 E HN 0.424 nan 8.360 nan 0.000 0.504 386 S N 0.747 116.351 115.700 -0.160 0.000 2.710 386 S HA 0.081 4.552 4.470 0.002 0.000 0.224 386 S C 1.197 175.681 174.600 -0.193 0.000 0.948 386 S CA -0.251 57.853 58.200 -0.159 0.000 0.949 386 S CB -0.628 62.482 63.200 -0.151 0.000 0.778 386 S HN 0.419 nan 8.310 nan 0.000 0.498 387 I N -2.741 117.711 120.570 -0.197 0.000 4.014 387 I HA 0.318 4.489 4.170 0.002 0.000 0.339 387 I C 1.203 177.251 176.117 -0.116 0.000 1.357 387 I CA -0.785 60.417 61.300 -0.163 0.000 1.070 387 I CB 0.038 37.909 38.000 -0.214 0.000 1.809 387 I HN 0.108 nan 8.210 nan 0.000 0.664 388 R N 0.413 120.843 120.500 -0.116 0.000 2.241 388 R HA -0.042 4.299 4.340 0.002 0.000 0.224 388 R C 1.241 177.489 176.300 -0.087 0.000 1.101 388 R CA 1.337 57.374 56.100 -0.105 0.000 0.995 388 R CB -0.408 29.819 30.300 -0.121 0.000 0.870 388 R HN 0.298 nan 8.270 nan 0.000 0.463 389 E N 1.258 121.413 120.200 -0.076 0.000 2.435 389 E HA -0.044 4.307 4.350 0.002 0.000 0.195 389 E C -0.299 176.277 176.600 -0.041 0.000 1.029 389 E CA 0.483 56.847 56.400 -0.060 0.000 0.865 389 E CB 0.030 29.696 29.700 -0.056 0.000 0.833 389 E HN 0.203 nan 8.360 nan 0.000 0.510 390 D N 0.219 120.599 120.400 -0.033 0.000 2.518 390 D HA 0.038 4.680 4.640 0.002 0.000 0.230 390 D C 0.493 176.803 176.300 0.017 0.000 1.138 390 D CA -0.130 53.867 54.000 -0.006 0.000 0.964 390 D CB 0.269 41.068 40.800 -0.001 0.000 1.011 390 D HN -0.166 nan 8.370 nan 0.000 0.517 391 K N 1.526 121.932 120.400 0.010 0.000 2.152 391 K HA -0.153 4.168 4.320 0.002 0.000 0.206 391 K C 1.449 178.110 176.600 0.102 0.000 1.048 391 K CA 0.886 57.190 56.287 0.029 0.000 0.933 391 K CB 0.276 32.767 32.500 -0.015 0.000 0.721 391 K HN 0.548 nan 8.250 nan 0.000 0.447 392 E N 0.447 120.705 120.200 0.097 0.000 2.028 392 E HA -0.157 4.195 4.350 0.002 0.000 0.191 392 E C 2.254 178.977 176.600 0.205 0.000 0.988 392 E CA 0.801 57.295 56.400 0.157 0.000 0.799 392 E CB -0.058 29.707 29.700 0.108 0.000 0.755 392 E HN 0.209 nan 8.360 nan 0.000 0.447 393 R N 0.865 121.452 120.500 0.143 0.000 2.083 393 R HA -0.171 4.171 4.340 0.002 0.000 0.237 393 R C 2.384 178.812 176.300 0.213 0.000 1.137 393 R CA 1.170 57.359 56.100 0.148 0.000 0.951 393 R CB -0.274 30.083 30.300 0.094 0.000 0.851 393 R HN 0.144 nan 8.270 nan 0.000 0.434 394 L N -0.152 121.200 121.223 0.214 0.000 2.012 394 L HA -0.221 4.120 4.340 0.002 0.000 0.210 394 L C 2.441 179.609 176.870 0.496 0.000 1.073 394 L CA 1.460 56.496 54.840 0.327 0.000 0.748 394 L CB -0.611 41.577 42.059 0.215 0.000 0.891 394 L HN 0.245 nan 8.230 nan 0.000 0.431 395 F N 0.498 120.603 119.950 0.258 0.000 2.161 395 F HA -0.226 4.302 4.527 0.003 0.000 0.300 395 F C 2.507 178.455 175.800 0.247 0.000 1.089 395 F CA 1.644 59.799 58.000 0.258 0.000 1.282 395 F CB -0.341 38.742 39.000 0.139 0.000 1.010 395 F HN -0.042 nan 8.300 nan 0.000 0.485 396 S N 0.563 116.268 115.700 0.008 0.000 2.338 396 S HA -0.187 4.285 4.470 0.002 0.000 0.218 396 S C 1.834 176.389 174.600 -0.076 0.000 1.032 396 S CA 1.217 59.331 58.200 -0.144 0.000 0.999 396 S CB -1.110 62.102 63.200 0.020 0.000 0.905 396 S HN 0.511 nan 8.310 nan 0.000 0.439 397 F N 1.524 121.434 119.950 -0.067 0.000 2.082 397 F HA -0.243 4.285 4.527 0.002 0.000 0.298 397 F C 1.535 177.159 175.800 -0.292 0.000 1.091 397 F CA 1.687 59.585 58.000 -0.169 0.000 1.230 397 F CB -0.358 38.532 39.000 -0.183 0.000 0.983 397 F HN 0.173 nan 8.300 nan 0.000 0.485 398 F N -0.311 119.730 119.950 0.151 0.000 2.765 398 F HA 0.069 4.597 4.527 0.002 0.000 0.302 398 F C 2.262 177.966 175.800 -0.161 0.000 1.111 398 F CA 0.476 58.508 58.000 0.053 0.000 1.359 398 F CB -0.598 38.606 39.000 0.340 0.000 1.097 398 F HN 0.063 nan 8.300 nan 0.000 0.577 399 Q N 1.687 121.387 119.800 -0.166 0.000 2.096 399 Q HA -0.167 4.174 4.340 0.002 0.000 0.204 399 Q C -0.657 175.251 176.000 -0.152 0.000 0.982 399 Q CA 1.840 57.471 55.803 -0.286 0.000 0.850 399 Q CB -0.952 27.456 28.738 -0.550 0.000 0.901 399 Q HN 0.181 nan 8.270 nan 0.000 0.422 400 P HA -0.153 nan 4.420 nan 0.000 0.215 400 P C 1.567 178.867 177.300 0.001 0.000 1.157 400 P CA 2.035 65.135 63.100 0.000 0.000 0.863 400 P CB -0.364 31.407 31.700 0.119 0.000 0.787 401 V N -2.464 117.303 119.914 -0.244 0.000 2.427 401 V HA -0.184 3.937 4.120 0.002 0.000 0.248 401 V C 2.704 178.641 176.094 -0.262 0.000 1.051 401 V CA 1.336 63.411 62.300 -0.375 0.000 1.048 401 V CB -2.030 29.466 31.823 -0.544 0.000 0.666 401 V HN -0.075 nan 8.190 nan 0.000 0.456 402 L N 0.598 121.693 121.223 -0.213 0.000 2.042 402 L HA -0.145 4.196 4.340 0.002 0.000 0.210 402 L C 2.830 179.605 176.870 -0.158 0.000 1.076 402 L CA 2.016 56.713 54.840 -0.238 0.000 0.749 402 L CB -0.802 41.151 42.059 -0.176 0.000 0.893 402 L HN 0.397 nan 8.230 nan 0.000 0.432 403 N N 0.044 118.698 118.700 -0.076 0.000 2.106 403 N HA -0.195 4.546 4.740 0.002 0.000 0.188 403 N C 1.803 177.303 175.510 -0.017 0.000 1.029 403 N CA 1.069 54.102 53.050 -0.028 0.000 0.848 403 N CB -0.224 38.270 38.487 0.011 0.000 1.007 403 N HN 0.092 nan 8.380 nan 0.000 0.423 404 K N 1.482 121.900 120.400 0.030 0.000 2.044 404 K HA -0.007 4.314 4.320 0.002 0.000 0.210 404 K C 1.985 178.578 176.600 -0.011 0.000 1.049 404 K CA 0.934 57.264 56.287 0.072 0.000 0.927 404 K CB -0.536 32.117 32.500 0.256 0.000 0.713 404 K HN 0.175 nan 8.250 nan 0.000 0.443 405 I N 0.076 120.582 120.570 -0.107 0.000 2.127 405 I HA -0.333 3.838 4.170 0.002 0.000 0.241 405 I C 2.247 178.289 176.117 -0.125 0.000 1.075 405 I CA 1.331 62.525 61.300 -0.176 0.000 1.334 405 I CB -0.315 37.479 38.000 -0.343 0.000 1.040 405 I HN 0.205 nan 8.210 nan 0.000 0.405 406 M N 0.346 119.870 119.600 -0.127 0.000 2.149 406 M HA -0.246 4.235 4.480 0.002 0.000 0.261 406 M C 2.311 178.599 176.300 -0.020 0.000 1.064 406 M CA 1.717 56.967 55.300 -0.082 0.000 1.102 406 M CB -1.184 31.361 32.600 -0.092 0.000 1.369 406 M HN 0.231 nan 8.290 nan 0.000 0.408 407 K N 0.155 120.545 120.400 -0.016 0.000 2.009 407 K HA -0.166 4.156 4.320 0.002 0.000 0.210 407 K C 2.018 178.621 176.600 0.005 0.000 1.049 407 K CA 1.958 58.247 56.287 0.004 0.000 0.929 407 K CB -0.075 32.430 32.500 0.009 0.000 0.714 407 K HN 0.349 nan 8.250 nan 0.000 0.440 408 C N 0.844 120.141 119.300 -0.005 0.000 2.432 408 C HA 0.006 4.467 4.460 0.002 0.000 0.282 408 C C 1.844 176.835 174.990 0.001 0.000 1.388 408 C CA 0.292 59.308 59.018 -0.004 0.000 1.777 408 C CB -0.688 27.044 27.740 -0.013 0.000 1.882 408 C HN 0.459 nan 8.230 nan 0.000 0.520 409 L N 0.729 121.954 121.223 0.003 0.000 2.783 409 L HA 0.138 4.479 4.340 0.002 0.000 0.236 409 L C -0.188 176.726 176.870 0.075 0.000 1.225 409 L CA 0.303 55.167 54.840 0.041 0.000 1.026 409 L CB -0.624 41.466 42.059 0.052 0.000 1.314 409 L HN 0.323 nan 8.230 nan 0.000 0.489 410 D N 0.381 120.810 120.400 0.047 0.000 2.699 410 D HA -0.169 4.473 4.640 0.002 0.000 0.239 410 D C 0.331 176.665 176.300 0.057 0.000 1.136 410 D CA 1.054 55.081 54.000 0.046 0.000 0.668 410 D CB -0.718 40.107 40.800 0.043 0.000 1.060 410 D HN 0.452 nan 8.370 nan 0.000 0.429 411 S N -1.192 114.542 115.700 0.055 0.000 3.132 411 S HA 0.672 5.143 4.470 0.002 0.000 0.322 411 S C -0.840 173.782 174.600 0.036 0.000 1.124 411 S CA -0.514 57.722 58.200 0.060 0.000 0.906 411 S CB 2.102 65.365 63.200 0.104 0.000 1.349 411 S HN 0.130 nan 8.310 nan 0.000 0.686 412 E N 0.195 120.416 120.200 0.035 0.000 2.423 412 E HA 0.375 4.726 4.350 0.002 0.000 0.269 412 E C -1.738 174.879 176.600 0.028 0.000 0.948 412 E CA -0.918 55.499 56.400 0.029 0.000 0.802 412 E CB 0.667 30.386 29.700 0.032 0.000 1.339 412 E HN 0.530 nan 8.360 nan 0.000 0.445 413 D N 0.829 121.249 120.400 0.034 0.000 2.548 413 D HA 0.027 4.668 4.640 0.002 0.000 0.231 413 D C -0.519 175.827 176.300 0.076 0.000 1.142 413 D CA 0.359 54.388 54.000 0.048 0.000 0.866 413 D CB 0.507 41.339 40.800 0.053 0.000 1.190 413 D HN -0.008 nan 8.370 nan 0.000 0.469 414 V N 2.981 122.963 119.914 0.113 0.000 2.834 414 V HA 0.247 4.368 4.120 0.002 0.000 0.301 414 V C 0.741 176.960 176.094 0.208 0.000 1.066 414 V CA -0.499 61.908 62.300 0.178 0.000 1.052 414 V CB 0.972 32.956 31.823 0.268 0.000 1.021 414 V HN 0.338 nan 8.190 nan 0.000 0.480 415 I N 2.448 123.103 120.570 0.141 0.000 2.362 415 I HA 0.250 4.421 4.170 0.002 0.000 0.289 415 I C 0.045 176.112 176.117 -0.083 0.000 0.994 415 I CA -0.480 60.860 61.300 0.068 0.000 1.158 415 I CB 1.458 39.484 38.000 0.043 0.000 1.315 415 I HN 0.579 nan 8.210 nan 0.000 0.451 416 D N 5.957 126.226 120.400 -0.218 0.000 2.356 416 D HA 0.035 4.676 4.640 0.002 0.000 0.272 416 D C 0.799 176.931 176.300 -0.280 0.000 1.337 416 D CA 0.320 53.995 54.000 -0.542 0.000 0.970 416 D CB 0.997 41.455 40.800 -0.570 0.000 1.092 416 D HN 0.788 nan 8.370 nan 0.000 0.516 417 G N 3.502 112.143 108.800 -0.265 0.000 3.774 417 G HA2 0.034 3.995 3.960 0.002 0.000 0.287 417 G HA3 0.034 3.995 3.960 0.002 0.000 0.287 417 G C 1.396 176.184 174.900 -0.188 0.000 1.030 417 G CA -0.237 44.760 45.100 -0.171 0.000 0.824 417 G HN 0.460 nan 8.290 nan 0.000 0.518 418 M N -0.124 119.337 119.600 -0.231 0.000 2.296 418 M HA 0.121 4.602 4.480 0.002 0.000 0.265 418 M C 1.566 177.797 176.300 -0.114 0.000 1.064 418 M CA 1.168 56.353 55.300 -0.191 0.000 1.109 418 M CB 0.083 32.563 32.600 -0.200 0.000 1.396 418 M HN 0.071 nan 8.290 nan 0.000 0.430 428 N N -0.426 118.281 118.700 0.011 0.000 2.143 428 N HA 0.535 5.277 4.740 0.002 0.000 0.229 428 N C 0.322 175.842 175.510 0.017 0.000 1.294 428 N CA 1.141 54.195 53.050 0.007 0.000 0.883 428 N CB 0.448 nan 38.487 nan 0.000 1.148 428 N HN 1.107 nan 8.380 nan 0.000 0.511 429 K N 1.439 121.856 120.400 0.028 0.000 2.185 429 K HA 0.812 5.133 4.320 0.002 0.000 0.240 429 K C -3.032 173.606 176.600 0.064 0.000 0.983 429 K CA -1.742 54.572 56.287 0.044 0.000 0.873 429 K CB 0.384 32.912 32.500 0.047 0.000 1.118 429 K HN 0.253 nan 8.250 nan 0.000 0.441 430 P HA 0.365 nan 4.420 nan 0.000 0.287 430 P C -0.963 176.460 177.300 0.205 0.000 1.281 430 P CA -0.281 62.899 63.100 0.132 0.000 0.781 430 P CB 0.870 32.594 31.700 0.039 0.000 0.903 431 V N 5.145 125.211 119.914 0.254 0.000 2.384 431 V HA 0.191 4.313 4.120 0.002 0.000 0.287 431 V C 0.368 176.564 176.094 0.170 0.000 1.020 431 V CA -0.900 61.497 62.300 0.163 0.000 0.850 431 V CB 1.510 33.368 31.823 0.059 0.000 0.987 431 V HN 0.425 nan 8.190 nan 0.000 0.436 432 L N 6.427 127.622 121.223 -0.046 0.000 2.278 432 L HA 0.485 4.827 4.340 0.002 0.000 0.287 432 L C 1.192 177.831 176.870 -0.384 0.000 1.072 432 L CA 0.526 55.132 54.840 -0.391 0.000 0.819 432 L CB 0.688 42.501 42.059 -0.411 0.000 1.176 432 L HN 0.474 nan 8.230 nan 0.000 0.435 433 R N 3.092 123.305 120.500 -0.477 0.000 2.156 433 R HA 0.258 4.599 4.340 0.002 0.000 0.207 433 R C 0.096 176.139 176.300 -0.429 0.000 1.040 433 R CA 0.335 56.113 56.100 -0.536 0.000 1.013 433 R CB -0.256 29.396 30.300 -1.080 0.000 0.931 433 R HN 0.832 nan 8.270 nan 0.000 0.465 434 N N -0.480 117.984 118.700 -0.394 0.000 2.745 434 N HA 0.248 4.990 4.740 0.002 0.000 0.256 434 N C -1.621 173.721 175.510 -0.279 0.000 1.268 434 N CA -0.434 52.459 53.050 -0.262 0.000 0.887 434 N CB 1.659 40.048 38.487 -0.162 0.000 1.575 434 N HN -0.189 nan 8.380 nan 0.000 0.496 435 I N 2.838 123.260 120.570 -0.246 0.000 2.509 435 I HA 0.494 4.665 4.170 0.002 0.000 0.293 435 I C -0.560 175.376 176.117 -0.301 0.000 1.020 435 I CA -0.749 60.351 61.300 -0.333 0.000 1.088 435 I CB 2.021 39.846 38.000 -0.291 0.000 1.267 435 I HN 0.387 nan 8.210 nan 0.000 0.430 436 I N 5.867 126.212 120.570 -0.376 0.000 2.569 436 I HA 0.579 4.751 4.170 0.002 0.000 0.296 436 I C -0.674 175.256 176.117 -0.311 0.000 1.028 436 I CA -0.900 60.222 61.300 -0.296 0.000 1.082 436 I CB 2.248 40.071 38.000 -0.295 0.000 1.264 436 I HN 0.170 nan 8.210 nan 0.000 0.429 437 V N 3.169 122.941 119.914 -0.236 0.000 3.001 437 V HA 0.435 4.556 4.120 0.002 0.000 0.314 437 V C 0.044 176.020 176.094 -0.197 0.000 1.099 437 V CA -0.670 61.501 62.300 -0.216 0.000 0.989 437 V CB 2.124 33.834 31.823 -0.187 0.000 1.040 437 V HN 0.785 nan 8.190 nan 0.000 0.434 438 S N 1.246 116.842 115.700 -0.173 0.000 2.624 438 S HA 0.269 4.740 4.470 0.002 0.000 0.263 438 S C 0.739 175.150 174.600 -0.315 0.000 1.287 438 S CA -0.366 57.689 58.200 -0.242 0.000 0.990 438 S CB 0.420 63.582 63.200 -0.063 0.000 0.950 438 S HN 0.907 nan 8.310 nan 0.000 0.561 439 N N -1.227 117.138 118.700 -0.559 0.000 2.081 439 N HA 0.108 4.850 4.740 0.002 0.000 0.230 439 N C 0.302 175.610 175.510 -0.337 0.000 1.351 439 N CA -0.128 52.679 53.050 -0.405 0.000 0.840 439 N CB 0.181 38.427 38.487 -0.401 0.000 1.189 439 N HN 0.686 nan 8.380 nan 0.000 0.503 440 W N 1.171 122.484 121.300 0.021 0.000 2.342 440 W HA -0.153 4.509 4.660 0.003 0.000 0.297 440 W C 2.590 179.138 176.519 0.049 0.000 1.213 440 W CA 1.642 59.015 57.345 0.046 0.000 1.251 440 W CB -0.623 28.873 29.460 0.061 0.000 1.136 440 W HN 0.136 nan 8.180 nan 0.000 0.526 441 T N -1.494 113.184 114.554 0.207 0.000 2.962 441 T HA -0.053 4.298 4.350 0.002 0.000 0.270 441 T C 1.608 176.351 174.700 0.072 0.000 1.088 441 T CA 1.051 63.236 62.100 0.142 0.000 1.127 441 T CB -0.212 68.716 68.868 0.100 0.000 0.883 441 T HN 0.220 nan 8.240 nan 0.000 0.493 442 R N 0.632 121.147 120.500 0.024 0.000 2.225 442 R HA 0.179 4.520 4.340 0.002 0.000 0.194 442 R C 0.454 176.731 176.300 -0.037 0.000 0.957 442 R CA 0.082 56.170 56.100 -0.021 0.000 1.042 442 R CB 0.022 30.290 30.300 -0.054 0.000 1.004 442 R HN 0.321 nan 8.270 nan 0.000 0.509 443 D N 2.902 123.289 120.400 -0.021 0.000 2.412 443 D HA -0.021 4.620 4.640 0.002 0.000 0.257 443 D C -1.443 174.821 176.300 -0.059 0.000 1.217 443 D CA -1.611 52.372 54.000 -0.027 0.000 0.897 443 D CB 1.300 42.131 40.800 0.051 0.000 1.132 443 D HN 0.027 nan 8.370 nan 0.000 0.493 444 P HA -0.155 nan 4.420 nan 0.000 0.229 444 P C 0.513 177.598 177.300 -0.359 0.000 1.150 444 P CA 0.999 63.900 63.100 -0.331 0.000 0.765 444 P CB -0.119 31.290 31.700 -0.485 0.000 0.783 445 Y N -1.108 119.235 120.300 0.072 0.000 2.458 445 Y HA 0.165 4.716 4.550 0.002 0.000 0.256 445 Y C 2.178 178.155 175.900 0.128 0.000 1.159 445 Y CA -0.093 58.059 58.100 0.086 0.000 1.261 445 Y CB 0.447 38.962 38.460 0.092 0.000 1.119 445 Y HN -0.010 nan 8.280 nan 0.000 0.524 446 S N -0.760 115.093 115.700 0.255 0.000 3.148 446 S HA 0.118 4.589 4.470 0.002 0.000 0.246 446 S C 0.528 175.251 174.600 0.206 0.000 1.041 446 S CA -0.423 57.956 58.200 0.298 0.000 0.813 446 S CB 0.286 63.793 63.200 0.511 0.000 0.813 446 S HN 0.243 nan 8.310 nan 0.000 0.546 447 R N 1.722 122.318 120.500 0.161 0.000 3.333 447 R HA -0.096 4.245 4.340 0.002 0.000 0.256 447 R C 0.315 176.739 176.300 0.207 0.000 1.010 447 R CA 0.290 56.443 56.100 0.088 0.000 0.680 447 R CB -2.225 28.041 30.300 -0.057 0.000 1.102 447 R HN 0.696 nan 8.270 nan 0.000 0.440 448 G N -2.355 106.656 108.800 0.351 0.000 2.334 448 G HA2 0.276 4.237 3.960 0.002 0.000 0.315 448 G HA3 0.276 4.237 3.960 0.002 0.000 0.315 448 G C 0.016 175.113 174.900 0.328 0.000 1.284 448 G CA -0.225 45.136 45.100 0.435 0.000 0.985 448 G HN 0.343 nan 8.290 nan 0.000 0.504 449 A N -1.325 121.469 122.820 -0.043 0.000 1.938 449 A HA 0.776 5.098 4.320 0.002 0.000 0.207 449 A C 0.494 177.810 177.584 -0.447 0.000 1.292 449 A CA 2.318 54.179 52.037 -0.293 0.000 0.700 449 A CB -0.002 18.737 19.000 -0.435 0.000 0.947 449 A HN 2.327 nan 8.150 nan 0.000 0.476 450 Y N -2.685 117.044 120.300 -0.952 0.000 2.765 450 Y HA 0.472 5.023 4.550 0.002 0.000 0.350 450 Y C -0.195 174.964 175.900 -1.235 0.000 1.196 450 Y CA -1.377 56.074 58.100 -1.083 0.000 1.119 450 Y CB -0.113 38.076 38.460 -0.451 0.000 1.368 450 Y HN 0.240 nan 8.280 nan 0.000 0.463 451 S N 1.147 116.567 115.700 -0.468 0.000 2.563 451 S HA 0.606 5.077 4.470 0.002 0.000 0.294 451 S C -0.012 174.579 174.600 -0.016 0.000 1.279 451 S CA 0.345 58.483 58.200 -0.104 0.000 1.069 451 S CB 0.290 63.558 63.200 0.112 0.000 0.828 451 S HN 1.710 nan 8.310 nan 0.000 0.497 452 A N 2.089 124.897 122.820 -0.020 0.000 2.594 452 A HA 0.682 5.003 4.320 0.002 0.000 0.291 452 A C -0.655 176.943 177.584 0.023 0.000 1.105 452 A CA -0.885 51.179 52.037 0.045 0.000 0.694 452 A CB 1.155 20.177 19.000 0.036 0.000 1.291 452 A HN 0.967 nan 8.150 nan 0.000 0.410 453 C N 0.675 120.025 119.300 0.083 0.000 2.341 453 C HA 0.661 5.122 4.460 0.002 0.000 0.338 453 C C -0.154 174.979 174.990 0.238 0.000 1.257 453 C CA -0.295 58.779 59.018 0.092 0.000 1.883 453 C CB -0.798 26.981 27.740 0.065 0.000 2.334 453 C HN 0.614 nan 8.230 nan 0.000 0.524 454 F N 3.752 123.722 119.950 0.034 0.000 2.432 454 F HA 0.367 4.895 4.527 0.002 0.000 0.329 454 F C -1.625 174.159 175.800 -0.026 0.000 1.076 454 F CA -2.577 55.384 58.000 -0.064 0.000 1.018 454 F CB 1.699 40.530 39.000 -0.282 0.000 1.201 454 F HN 0.332 nan 8.300 nan 0.000 0.489 455 P HA -0.035 nan 4.420 nan 0.000 0.260 455 P C 0.497 177.852 177.300 0.091 0.000 1.172 455 P CA 1.155 64.304 63.100 0.082 0.000 0.760 455 P CB 0.478 32.208 31.700 0.050 0.000 0.773 456 G N 2.130 110.968 108.800 0.063 0.000 2.195 456 G HA2 -0.181 3.780 3.960 0.002 0.000 0.246 456 G HA3 -0.181 3.780 3.960 0.002 0.000 0.246 456 G C 0.019 174.966 174.900 0.078 0.000 0.984 456 G CA -0.137 45.001 45.100 0.063 0.000 0.633 456 G HN 0.507 nan 8.290 nan 0.000 0.525 457 D N 1.168 121.629 120.400 0.103 0.000 2.360 457 D HA 0.502 5.143 4.640 0.002 0.000 0.242 457 D C 0.467 176.790 176.300 0.039 0.000 1.184 457 D CA 1.126 55.187 54.000 0.101 0.000 0.930 457 D CB 0.817 41.702 40.800 0.142 0.000 1.161 457 D HN 0.738 nan 8.370 nan 0.000 0.447 458 D N 0.635 121.047 120.400 0.018 0.000 2.330 458 D HA 0.238 4.880 4.640 0.002 0.000 0.249 458 D C -1.936 174.349 176.300 -0.025 0.000 1.306 458 D CA -1.047 52.949 54.000 -0.007 0.000 0.956 458 D CB 1.479 nan 40.800 nan 0.000 1.261 458 D HN 0.066 nan 8.370 nan 0.000 0.544 459 P HA -0.153 nan 4.420 nan 0.000 0.218 459 P C 1.866 179.135 177.300 -0.052 0.000 1.148 459 P CA 0.734 63.812 63.100 -0.038 0.000 0.822 459 P CB 0.238 31.924 31.700 -0.024 0.000 0.784 460 V N 1.216 121.105 119.914 -0.041 0.000 2.439 460 V HA -0.249 3.872 4.120 0.002 0.000 0.253 460 V C 2.163 178.221 176.094 -0.060 0.000 1.074 460 V CA 2.359 64.633 62.300 -0.043 0.000 1.076 460 V CB -1.546 30.260 31.823 -0.029 0.000 0.664 460 V HN 0.077 nan 8.190 nan 0.000 0.461 461 D N -0.617 119.742 120.400 -0.068 0.000 2.104 461 D HA -0.193 4.448 4.640 0.002 0.000 0.194 461 D C 1.989 178.210 176.300 -0.132 0.000 0.994 461 D CA 1.486 55.432 54.000 -0.089 0.000 0.830 461 D CB -0.309 40.438 40.800 -0.089 0.000 0.959 461 D HN 0.394 nan 8.370 nan 0.000 0.452 462 M N 0.260 119.766 119.600 -0.158 0.000 2.132 462 M HA -0.080 4.402 4.480 0.002 0.000 0.263 462 M C 1.862 178.057 176.300 -0.175 0.000 1.065 462 M CA 1.091 56.261 55.300 -0.217 0.000 1.122 462 M CB -0.375 32.094 32.600 -0.218 0.000 1.365 462 M HN -0.128 nan 8.290 nan 0.000 0.411 463 V N -0.774 119.066 119.914 -0.122 0.000 2.287 463 V HA -0.265 3.856 4.120 0.002 0.000 0.248 463 V C 2.396 178.435 176.094 -0.091 0.000 1.053 463 V CA 1.821 64.058 62.300 -0.105 0.000 1.027 463 V CB -1.063 30.716 31.823 -0.074 0.000 0.646 463 V HN 0.378 nan 8.190 nan 0.000 0.447 464 V N 0.312 120.179 119.914 -0.079 0.000 2.261 464 V HA -0.268 3.853 4.120 0.002 0.000 0.246 464 V C 2.728 178.784 176.094 -0.064 0.000 1.047 464 V CA 2.168 64.432 62.300 -0.059 0.000 1.015 464 V CB -1.215 30.578 31.823 -0.050 0.000 0.642 464 V HN 0.562 nan 8.190 nan 0.000 0.446 465 A N -0.705 122.056 122.820 -0.098 0.000 1.902 465 A HA -0.206 4.115 4.320 0.002 0.000 0.217 465 A C 2.253 179.776 177.584 -0.101 0.000 1.181 465 A CA 2.019 53.992 52.037 -0.106 0.000 0.623 465 A CB -0.444 18.456 19.000 -0.167 0.000 0.818 465 A HN 0.409 nan 8.150 nan 0.000 0.443 466 M N 0.612 120.120 119.600 -0.154 0.000 2.064 466 M HA -0.119 4.363 4.480 0.002 0.000 0.260 466 M C 2.431 178.762 176.300 0.051 0.000 1.073 466 M CA 2.108 57.327 55.300 -0.135 0.000 1.124 466 M CB -1.506 30.953 32.600 -0.235 0.000 1.326 466 M HN 0.614 nan 8.290 nan 0.000 0.410 467 S N -0.107 115.589 115.700 -0.005 0.000 2.507 467 S HA -0.057 4.414 4.470 0.002 0.000 0.235 467 S C 1.409 176.028 174.600 0.033 0.000 0.988 467 S CA 0.907 59.117 58.200 0.017 0.000 0.944 467 S CB -0.499 62.692 63.200 -0.015 0.000 0.762 467 S HN 0.387 nan 8.310 nan 0.000 0.526 468 N N 1.662 120.385 118.700 0.039 0.000 2.395 468 N HA 0.286 5.027 4.740 0.002 0.000 0.175 468 N C 1.024 176.576 175.510 0.071 0.000 1.029 468 N CA 1.018 54.091 53.050 0.037 0.000 0.897 468 N CB -0.063 38.436 38.487 0.019 0.000 0.991 468 N HN 0.666 nan 8.380 nan 0.000 0.441 469 G N 0.504 109.396 108.800 0.154 0.000 2.746 469 G HA2 -0.246 3.715 3.960 0.002 0.000 0.685 469 G HA3 -0.246 3.715 3.960 0.002 0.000 0.685 469 G C 0.268 175.296 174.900 0.213 0.000 1.350 469 G CA 0.189 45.410 45.100 0.201 0.000 0.837 469 G HN 0.242 nan 8.290 nan 0.000 0.564 470 Q N 0.090 120.004 119.800 0.191 0.000 2.049 470 Q HA 0.223 4.564 4.340 0.002 0.000 0.198 470 Q C 1.132 177.165 176.000 0.056 0.000 0.971 470 Q CA 2.968 58.853 55.803 0.136 0.000 0.833 470 Q CB 0.057 28.838 28.738 0.071 0.000 0.896 470 Q HN 1.132 nan 8.270 nan 0.000 0.434 471 D N -3.248 117.167 120.400 0.026 0.000 2.970 471 D HA 0.079 4.720 4.640 0.002 0.000 0.344 471 D C 0.270 176.581 176.300 0.018 0.000 1.365 471 D CA 0.200 54.211 54.000 0.019 0.000 0.910 471 D CB -0.383 40.423 40.800 0.011 0.000 1.445 471 D HN -0.033 nan 8.370 nan 0.000 0.532 472 S N -1.404 114.310 115.700 0.023 0.000 2.474 472 S HA -0.060 4.411 4.470 0.002 0.000 0.235 472 S C 1.243 175.911 174.600 0.114 0.000 0.997 472 S CA 0.499 58.734 58.200 0.060 0.000 0.949 472 S CB -0.281 62.954 63.200 0.059 0.000 0.766 472 S HN 0.409 nan 8.310 nan 0.000 0.517 473 R N 0.456 120.972 120.500 0.027 0.000 2.250 473 R HA 0.448 4.789 4.340 0.002 0.000 0.194 473 R C 0.281 176.589 176.300 0.014 0.000 0.927 473 R CA 0.147 56.249 56.100 0.003 0.000 1.052 473 R CB -0.200 29.985 30.300 -0.192 0.000 1.055 473 R HN 0.451 nan 8.270 nan 0.000 0.537 474 I N 3.693 124.235 120.570 -0.046 0.000 2.310 474 I HA 0.197 4.368 4.170 0.002 0.000 0.287 474 I C -0.057 175.858 176.117 -0.337 0.000 1.073 474 I CA -0.428 60.787 61.300 -0.142 0.000 1.216 474 I CB 0.433 38.393 38.000 -0.067 0.000 1.415 474 I HN -0.276 nan 8.210 nan 0.000 0.480 475 R N 5.345 125.622 120.500 -0.372 0.000 2.782 475 R HA 0.693 5.035 4.340 0.002 0.000 0.258 475 R C -0.990 174.899 176.300 -0.685 0.000 1.055 475 R CA -0.846 55.002 56.100 -0.419 0.000 1.065 475 R CB 1.307 31.509 30.300 -0.163 0.000 1.172 475 R HN 0.223 nan 8.270 nan 0.000 0.510 476 F N -0.788 119.160 119.950 -0.003 0.000 2.576 476 F HA 0.751 5.279 4.527 0.002 0.000 0.313 476 F C 0.071 175.837 175.800 -0.057 0.000 1.078 476 F CA -0.864 57.130 58.000 -0.010 0.000 0.921 476 F CB 2.309 41.294 39.000 -0.025 0.000 1.232 476 F HN 0.598 nan 8.300 nan 0.000 0.459 477 A N 0.996 123.904 122.820 0.148 0.000 2.593 477 A HA 0.981 5.302 4.320 0.002 0.000 0.290 477 A C -0.467 177.137 177.584 0.032 0.000 1.126 477 A CA -0.319 51.737 52.037 0.033 0.000 0.695 477 A CB 1.702 20.711 19.000 0.016 0.000 1.290 477 A HN 1.735 nan 8.150 nan 0.000 0.414 478 G N -0.297 108.504 108.800 0.002 0.000 2.340 478 G HA2 0.450 4.411 3.960 0.002 0.000 0.527 478 G HA3 0.450 4.411 3.960 0.002 0.000 0.527 478 G C 0.039 174.969 174.900 0.050 0.000 1.381 478 G CA 0.694 45.849 45.100 0.092 0.000 1.001 478 G HN 1.845 nan 8.290 nan 0.000 0.626 479 E N -0.465 119.824 120.200 0.149 0.000 2.219 479 E HA -0.252 4.099 4.350 0.002 0.000 0.198 479 E C 1.592 178.243 176.600 0.085 0.000 0.998 479 E CA 2.500 58.941 56.400 0.069 0.000 0.818 479 E CB -0.342 29.374 29.700 0.028 0.000 0.741 479 E HN 0.891 nan 8.360 nan 0.000 0.477 480 H N -0.226 118.855 119.070 0.018 0.000 2.526 480 H HA 0.223 4.780 4.556 0.002 0.000 0.274 480 H C 0.660 175.969 175.328 -0.031 0.000 0.999 480 H CA 0.995 57.046 56.048 0.005 0.000 1.157 480 H CB -0.291 29.506 29.762 0.058 0.000 1.407 480 H HN 0.310 nan 8.280 nan 0.000 0.568 481 T N -1.841 112.489 114.554 -0.373 0.000 3.174 481 T HA 0.407 4.759 4.350 0.002 0.000 0.269 481 T C 0.236 174.850 174.700 -0.143 0.000 1.017 481 T CA -0.400 61.517 62.100 -0.305 0.000 0.899 481 T CB -0.302 68.367 68.868 -0.332 0.000 1.077 481 T HN 0.271 nan 8.240 nan 0.000 0.552 482 I N 0.010 120.517 120.570 -0.106 0.000 2.913 482 I HA 0.492 4.664 4.170 0.002 0.000 0.302 482 I C 0.403 176.483 176.117 -0.062 0.000 1.246 482 I CA -1.154 60.106 61.300 -0.067 0.000 1.010 482 I CB 2.261 40.233 38.000 -0.048 0.000 1.259 482 I HN -0.033 nan 8.210 nan 0.000 0.434 483 M N 2.754 122.330 119.600 -0.040 0.000 2.171 483 M HA 0.148 4.629 4.480 0.002 0.000 0.260 483 M C 0.063 176.341 176.300 -0.036 0.000 1.087 483 M CA 1.365 56.645 55.300 -0.035 0.000 1.154 483 M CB -0.237 32.355 32.600 -0.014 0.000 1.331 483 M HN 0.479 nan 8.290 nan 0.000 0.431 484 D N 0.213 120.613 120.400 0.000 0.000 2.417 484 D HA 0.412 5.053 4.640 0.002 0.000 0.250 484 D C 0.614 176.875 176.300 -0.065 0.000 1.166 484 D CA 1.525 55.545 54.000 0.035 0.000 0.881 484 D CB 0.198 41.072 40.800 0.124 0.000 1.164 484 D HN 0.640 nan 8.370 nan 0.000 0.467 485 G N 2.354 111.053 108.800 -0.168 0.000 2.225 485 G HA2 -0.139 3.823 3.960 0.002 0.000 0.264 485 G HA3 -0.139 3.823 3.960 0.002 0.000 0.264 485 G C 0.403 175.039 174.900 -0.441 0.000 1.060 485 G CA -0.094 44.634 45.100 -0.621 0.000 0.833 485 G HN 0.772 nan 8.290 nan 0.000 0.498 486 A N -0.661 121.997 122.820 -0.270 0.000 2.511 486 A HA 0.678 5.000 4.320 0.002 0.000 0.242 486 A C 2.088 179.503 177.584 -0.282 0.000 1.069 486 A CA 1.735 53.644 52.037 -0.213 0.000 0.763 486 A CB 0.134 19.047 19.000 -0.146 0.000 1.001 486 A HN 2.409 nan 8.150 nan 0.000 0.498 487 G N 0.554 109.209 108.800 -0.241 0.000 2.245 487 G HA2 -0.305 3.656 3.960 0.002 0.000 0.264 487 G HA3 -0.305 3.656 3.960 0.002 0.000 0.264 487 G C 0.499 175.099 174.900 -0.501 0.000 0.985 487 G CA 0.573 45.446 45.100 -0.379 0.000 0.625 487 G HN 1.138 nan 8.290 nan 0.000 0.536 488 C N 0.195 119.257 119.300 -0.396 0.000 2.335 488 C HA 0.783 5.244 4.460 0.002 0.000 0.363 488 C C 2.341 177.205 174.990 -0.209 0.000 1.198 488 C CA 0.213 59.048 59.018 -0.305 0.000 2.279 488 C CB 1.094 28.650 27.740 -0.307 0.000 2.334 488 C HN 0.856 nan 8.230 nan 0.000 0.559 489 A N 0.874 123.650 122.820 -0.073 0.000 1.908 489 A HA -0.181 4.140 4.320 0.002 0.000 0.218 489 A C 1.783 179.441 177.584 0.124 0.000 1.181 489 A CA 2.150 54.185 52.037 -0.004 0.000 0.627 489 A CB -0.913 18.077 19.000 -0.017 0.000 0.818 489 A HN 1.079 nan 8.150 nan 0.000 0.445 490 Y N -0.721 119.646 120.300 0.112 0.000 2.509 490 Y HA 0.232 4.783 4.550 0.002 0.000 0.293 490 Y C 1.991 178.017 175.900 0.209 0.000 1.133 490 Y CA 0.416 58.599 58.100 0.138 0.000 1.283 490 Y CB -1.024 37.475 38.460 0.065 0.000 1.001 490 Y HN 0.075 nan 8.280 nan 0.000 0.555 491 G N 0.716 109.337 108.800 -0.298 0.000 2.394 491 G HA2 -0.123 3.838 3.960 0.002 0.000 0.214 491 G HA3 -0.123 3.838 3.960 0.002 0.000 0.214 491 G C 1.817 176.725 174.900 0.014 0.000 1.176 491 G CA 0.857 45.828 45.100 -0.215 0.000 0.786 491 G HN 0.598 nan 8.290 nan 0.000 0.533 492 A N 0.106 122.946 122.820 0.033 0.000 1.902 492 A HA -0.050 4.272 4.320 0.002 0.000 0.217 492 A C 2.123 179.808 177.584 0.169 0.000 1.181 492 A CA 1.596 53.682 52.037 0.080 0.000 0.623 492 A CB -0.823 18.220 19.000 0.071 0.000 0.818 492 A HN 0.558 nan 8.150 nan 0.000 0.443 493 W N 0.966 122.294 121.300 0.046 0.000 2.315 493 W HA -0.278 4.383 4.660 0.002 0.000 0.323 493 W C 2.106 178.670 176.519 0.076 0.000 1.233 493 W CA 2.514 59.908 57.345 0.082 0.000 1.267 493 W CB -0.198 29.345 29.460 0.138 0.000 1.160 493 W HN 0.409 nan 8.180 nan 0.000 0.474 494 E N 0.533 120.994 120.200 0.436 0.000 2.110 494 E HA -0.236 4.115 4.350 0.002 0.000 0.193 494 E C 2.292 178.898 176.600 0.011 0.000 0.988 494 E CA 2.461 58.981 56.400 0.200 0.000 0.804 494 E CB -0.732 29.182 29.700 0.357 0.000 0.745 494 E HN 0.288 nan 8.360 nan 0.000 0.458 495 S N -0.961 114.759 115.700 0.033 0.000 2.399 495 S HA -0.082 4.389 4.470 0.002 0.000 0.231 495 S C 2.186 176.752 174.600 -0.056 0.000 1.022 495 S CA 1.087 59.278 58.200 -0.015 0.000 0.983 495 S CB -0.872 62.317 63.200 -0.018 0.000 0.803 495 S HN 0.365 nan 8.310 nan 0.000 0.480 496 G N 1.800 110.549 108.800 -0.085 0.000 2.394 496 G HA2 -0.132 3.830 3.960 0.002 0.000 0.215 496 G HA3 -0.132 3.830 3.960 0.002 0.000 0.215 496 G C 1.534 176.321 174.900 -0.188 0.000 1.165 496 G CA 0.526 45.550 45.100 -0.127 0.000 0.784 496 G HN 0.576 nan 8.290 nan 0.000 0.535 497 R N 0.397 120.722 120.500 -0.291 0.000 2.120 497 R HA -0.016 4.326 4.340 0.002 0.000 0.234 497 R C 2.493 178.690 176.300 -0.171 0.000 1.123 497 R CA 1.432 57.353 56.100 -0.299 0.000 0.975 497 R CB -0.296 29.738 30.300 -0.444 0.000 0.866 497 R HN 0.352 nan 8.270 nan 0.000 0.446 498 R N 0.341 120.766 120.500 -0.125 0.000 2.070 498 R HA -0.128 4.213 4.340 0.002 0.000 0.232 498 R C 1.722 177.969 176.300 -0.089 0.000 1.138 498 R CA 1.746 57.797 56.100 -0.082 0.000 0.936 498 R CB -0.120 30.149 30.300 -0.050 0.000 0.839 498 R HN 0.219 nan 8.270 nan 0.000 0.429 499 E N 0.344 120.489 120.200 -0.092 0.000 2.153 499 E HA -0.158 4.193 4.350 0.002 0.000 0.194 499 E C 1.802 178.320 176.600 -0.137 0.000 0.988 499 E CA 1.269 57.607 56.400 -0.104 0.000 0.811 499 E CB -0.193 29.453 29.700 -0.091 0.000 0.746 499 E HN 0.492 nan 8.360 nan 0.000 0.466 500 A N 0.635 123.375 122.820 -0.134 0.000 1.897 500 A HA -0.107 4.214 4.320 0.002 0.000 0.215 500 A C 2.446 179.950 177.584 -0.133 0.000 1.181 500 A CA 1.778 53.731 52.037 -0.139 0.000 0.620 500 A CB -0.747 18.180 19.000 -0.122 0.000 0.821 500 A HN 0.208 nan 8.150 nan 0.000 0.443 501 T N -0.557 113.928 114.554 -0.115 0.000 2.746 501 T HA -0.158 4.194 4.350 0.002 0.000 0.267 501 T C 2.069 176.706 174.700 -0.105 0.000 1.039 501 T CA 1.595 63.639 62.100 -0.094 0.000 1.142 501 T CB -0.251 68.572 68.868 -0.075 0.000 0.866 501 T HN 0.613 nan 8.240 nan 0.000 0.444 502 R N 0.717 121.147 120.500 -0.117 0.000 2.083 502 R HA -0.049 4.293 4.340 0.002 0.000 0.237 502 R C 2.375 178.556 176.300 -0.200 0.000 1.137 502 R CA 1.572 57.595 56.100 -0.128 0.000 0.951 502 R CB -0.500 29.729 30.300 -0.118 0.000 0.851 502 R HN 0.371 nan 8.270 nan 0.000 0.434 503 I N 0.570 120.965 120.570 -0.292 0.000 2.286 503 I HA -0.252 3.920 4.170 0.002 0.000 0.248 503 I C 2.330 178.266 176.117 -0.302 0.000 1.115 503 I CA 1.259 62.270 61.300 -0.480 0.000 1.392 503 I CB -0.205 37.456 38.000 -0.565 0.000 1.065 503 I HN 0.246 nan 8.210 nan 0.000 0.418 504 S N 0.357 115.946 115.700 -0.186 0.000 2.368 504 S HA -0.195 4.276 4.470 0.002 0.000 0.225 504 S C 1.563 176.111 174.600 -0.087 0.000 1.030 504 S CA 1.433 59.567 58.200 -0.110 0.000 0.999 504 S CB -0.273 62.882 63.200 -0.075 0.000 0.844 504 S HN 0.425 nan 8.310 nan 0.000 0.459 505 D N 1.332 121.679 120.400 -0.089 0.000 2.117 505 D HA -0.040 4.601 4.640 0.002 0.000 0.197 505 D C 1.808 178.073 176.300 -0.057 0.000 0.987 505 D CA 0.824 54.791 54.000 -0.055 0.000 0.829 505 D CB -0.304 40.467 40.800 -0.049 0.000 0.961 505 D HN 0.323 nan 8.370 nan 0.000 0.460 506 L N -0.079 121.088 121.223 -0.094 0.000 2.156 506 L HA -0.026 4.316 4.340 0.002 0.000 0.208 506 L C 2.253 179.087 176.870 -0.061 0.000 1.095 506 L CA 0.475 55.275 54.840 -0.067 0.000 0.770 506 L CB -0.126 41.890 42.059 -0.072 0.000 0.914 506 L HN 0.010 nan 8.230 nan 0.000 0.439 507 L N -0.614 120.561 121.223 -0.081 0.000 2.418 507 L HA -0.095 4.246 4.340 0.002 0.000 0.218 507 L C 2.388 179.186 176.870 -0.120 0.000 1.125 507 L CA 0.499 55.294 54.840 -0.075 0.000 0.835 507 L CB -0.331 41.696 42.059 -0.053 0.000 0.953 507 L HN 0.173 nan 8.230 nan 0.000 0.454 508 K N 1.103 121.447 120.400 -0.093 0.000 2.209 508 K HA -0.148 4.173 4.320 0.002 0.000 0.204 508 K C 2.169 178.587 176.600 -0.303 0.000 1.048 508 K CA 1.317 57.556 56.287 -0.080 0.000 0.940 508 K CB -0.121 32.372 32.500 -0.012 0.000 0.729 508 K HN 0.307 nan 8.250 nan 0.000 0.451 509 L N 0.453 121.462 121.223 -0.355 0.000 2.362 509 L HA 0.000 4.341 4.340 0.002 0.000 0.219 509 L C 2.273 178.804 176.870 -0.565 0.000 1.134 509 L CA 2.469 56.935 54.840 -0.624 0.000 0.807 509 L CB -2.243 39.695 42.059 -0.201 0.000 0.927 509 L HN 0.562 nan 8.230 nan 0.000 0.447 510 E N -1.550 118.401 120.200 -0.416 0.000 2.418 510 E HA -0.193 4.158 4.350 0.002 0.000 0.197 510 E C 1.867 178.202 176.600 -0.441 0.000 1.026 510 E CA 0.949 57.117 56.400 -0.387 0.000 0.862 510 E CB -0.892 nan 29.700 nan 0.000 0.799 510 E HN 0.935 nan 8.360 nan 0.000 0.518 511 H N -0.611 118.289 119.070 -0.284 0.000 2.575 511 H HA 0.131 4.688 4.556 0.002 0.000 0.267 511 H C 0.011 175.195 175.328 -0.240 0.000 0.966 511 H CA -0.022 55.908 56.048 -0.196 0.000 1.165 511 H CB 0.188 29.873 29.762 -0.129 0.000 1.433 511 H HN 0.455 nan 8.280 nan 0.000 0.544 512 H N 0.699 119.681 119.070 -0.147 0.000 2.679 512 H HA 0.111 4.668 4.556 0.002 0.000 0.369 512 H C 0.867 176.018 175.328 -0.294 0.000 1.178 512 H CA 0.328 56.217 56.048 -0.265 0.000 1.419 512 H CB 0.648 30.345 29.762 -0.109 0.000 1.458 512 H HN 0.277 nan 8.280 nan 0.000 0.605 513 H N 0.000 119.168 119.070 0.164 0.000 2.539 513 H HA 0.000 4.557 4.556 0.002 0.000 0.296 513 H CA 0.000 56.102 56.048 0.091 0.000 1.023 513 H CB 0.000 29.800 29.762 0.063 0.000 1.292 513 H HN 0.000 nan 8.280 nan 0.000 0.496