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 1hp7_1_A DATA FIRST_RESID 19 DATA SEQUENCE DHPTFNKITP NLAEFAFSLY RQLAHQSNST NIFFSPVSIA TAFAMLSLGT DATA SEQUENCE KGDTHDEILE GLNFNLTEIP EAQIHEGFQE LLHTLNQPDS QLQLTTGNGL DATA SEQUENCE FLSEGLKLVD KFLEDVKKLY HSEAFTVNFG DTEEAKKQIN DYVEKGTQGK DATA SEQUENCE IVDLVKELDR DTVFALVNYI FFKGKWERPF EVKDTEEEDF HVDQVTTVKV DATA SEQUENCE PMMKRLGMFN IQHCKKLSSW VLLMKYLGNA TAIFFLPDEG KLQHLENELT DATA SEQUENCE HDIITKFLEN EDRRSASLHL PKLSITGTYD LKSVLGQLGI TKVFSNGADL DATA SEQUENCE SGVTEEAPLK LSKAVHKAVL TIDEKGTEAA GAMFLEAIPM SIPPEVKFNK DATA SEQUENCE PFVFLMIDQN TKSPLFMGKV VNPTQK 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 19 D HA 0.000 nan 4.640 nan 0.000 0.175 19 D C 0.000 176.066 176.300 -0.390 0.000 2.045 19 D CA 0.000 53.782 54.000 -0.363 0.000 0.868 19 D CB 0.000 40.691 40.800 -0.182 0.000 0.688 20 H N 0.286 119.333 119.070 -0.039 0.000 2.616 20 H HA 0.620 5.177 4.556 0.002 0.000 0.353 20 H C -2.006 173.289 175.328 -0.055 0.000 1.170 20 H CA -1.714 54.307 56.048 -0.045 0.000 1.212 20 H CB 0.617 30.346 29.762 -0.054 0.000 1.653 20 H HN 0.121 nan 8.280 nan 0.000 0.537 21 P HA 0.138 nan 4.420 nan 0.000 0.271 21 P C -0.199 177.082 177.300 -0.032 0.000 1.220 21 P CA 0.090 63.200 63.100 0.016 0.000 0.768 21 P CB 0.689 32.398 31.700 0.014 0.000 0.848 22 T N 1.332 115.844 114.554 -0.070 0.000 2.896 22 T HA 0.519 4.871 4.350 0.002 0.000 0.297 22 T C 0.070 174.686 174.700 -0.140 0.000 1.108 22 T CA -0.617 61.358 62.100 -0.208 0.000 1.004 22 T CB 0.527 69.255 68.868 -0.234 0.000 1.159 22 T HN 0.202 nan 8.240 nan 0.000 0.499 23 F N 1.981 121.923 119.950 -0.014 0.000 2.695 23 F HA 0.460 4.988 4.527 0.002 0.000 0.303 23 F C 1.474 177.246 175.800 -0.046 0.000 1.091 23 F CA -0.554 57.419 58.000 -0.045 0.000 1.300 23 F CB -1.242 37.733 39.000 -0.042 0.000 1.071 23 F HN 0.389 nan 8.300 nan 0.000 0.578 24 N N 2.074 120.734 118.700 -0.067 0.000 2.094 24 N HA -0.183 4.558 4.740 0.002 0.000 0.191 24 N C 1.524 177.067 175.510 0.054 0.000 1.023 24 N CA 1.935 55.005 53.050 0.032 0.000 0.857 24 N CB -0.266 38.165 38.487 -0.093 0.000 1.013 24 N HN 0.402 nan 8.380 nan 0.000 0.426 25 K N 0.200 120.613 120.400 0.021 0.000 2.148 25 K HA -0.029 4.293 4.320 0.002 0.000 0.204 25 K C 1.856 178.483 176.600 0.044 0.000 1.050 25 K CA 1.137 57.441 56.287 0.028 0.000 0.942 25 K CB -0.133 32.382 32.500 0.026 0.000 0.724 25 K HN 0.459 nan 8.250 nan 0.000 0.446 26 I N -1.340 119.256 120.570 0.044 0.000 3.645 26 I HA -0.033 4.138 4.170 0.002 0.000 0.300 26 I C 1.996 178.075 176.117 -0.064 0.000 1.260 26 I CA 0.469 61.801 61.300 0.052 0.000 1.365 26 I CB -0.560 37.431 38.000 -0.015 0.000 1.077 26 I HN -0.052 nan 8.210 nan 0.000 0.439 27 T N 0.063 114.596 114.554 -0.035 0.000 2.737 27 T HA -0.035 4.316 4.350 0.002 0.000 0.269 27 T C -0.306 174.320 174.700 -0.123 0.000 1.040 27 T CA 1.369 63.437 62.100 -0.054 0.000 1.142 27 T CB -2.043 66.841 68.868 0.028 0.000 0.861 27 T HN 0.299 nan 8.240 nan 0.000 0.456 28 P HA -0.014 nan 4.420 nan 0.000 0.216 28 P C 1.041 178.094 177.300 -0.412 0.000 1.153 28 P CA 1.198 64.050 63.100 -0.414 0.000 0.848 28 P CB -0.290 31.177 31.700 -0.388 0.000 0.787 29 N N -0.984 117.493 118.700 -0.372 0.000 2.309 29 N HA -0.067 4.674 4.740 0.002 0.000 0.182 29 N C 1.621 176.950 175.510 -0.301 0.000 1.018 29 N CA 0.754 53.521 53.050 -0.471 0.000 0.876 29 N CB -0.959 36.919 38.487 -1.014 0.000 0.972 29 N HN 0.108 nan 8.380 nan 0.000 0.434 30 L N 0.208 121.314 121.223 -0.195 0.000 2.083 30 L HA -0.115 4.227 4.340 0.002 0.000 0.209 30 L C 2.363 179.204 176.870 -0.049 0.000 1.083 30 L CA 1.027 55.850 54.840 -0.029 0.000 0.752 30 L CB -0.504 41.537 42.059 -0.030 0.000 0.899 30 L HN 0.230 nan 8.230 nan 0.000 0.433 31 A N -0.004 122.729 122.820 -0.145 0.000 1.858 31 A HA -0.228 4.094 4.320 0.002 0.000 0.216 31 A C 2.144 179.581 177.584 -0.245 0.000 1.190 31 A CA 1.685 53.586 52.037 -0.227 0.000 0.617 31 A CB -0.482 18.486 19.000 -0.054 0.000 0.827 31 A HN 0.443 nan 8.150 nan 0.000 0.443 32 E N -1.438 118.728 120.200 -0.057 0.000 2.153 32 E HA -0.193 4.158 4.350 0.002 0.000 0.194 32 E C 1.762 178.394 176.600 0.054 0.000 0.988 32 E CA 1.289 57.732 56.400 0.072 0.000 0.811 32 E CB -0.282 29.428 29.700 0.018 0.000 0.746 32 E HN 0.713 nan 8.360 nan 0.000 0.466 33 F N 1.754 121.629 119.950 -0.126 0.000 2.146 33 F HA -0.100 4.428 4.527 0.002 0.000 0.298 33 F C 2.231 177.996 175.800 -0.059 0.000 1.096 33 F CA 1.177 59.126 58.000 -0.085 0.000 1.275 33 F CB -0.473 38.481 39.000 -0.076 0.000 1.008 33 F HN -0.077 nan 8.300 nan 0.000 0.480 34 A N 0.497 123.128 122.820 -0.314 0.000 1.873 34 A HA -0.221 4.101 4.320 0.002 0.000 0.218 34 A C 2.088 179.537 177.584 -0.224 0.000 1.193 34 A CA 2.156 53.965 52.037 -0.382 0.000 0.629 34 A CB -1.590 17.052 19.000 -0.596 0.000 0.826 34 A HN 0.414 nan 8.150 nan 0.000 0.447 35 F N 0.571 120.507 119.950 -0.023 0.000 2.234 35 F HA -0.059 4.469 4.527 0.002 0.000 0.299 35 F C 2.796 178.607 175.800 0.018 0.000 1.087 35 F CA 0.983 58.997 58.000 0.023 0.000 1.340 35 F CB -0.988 38.009 39.000 -0.006 0.000 1.031 35 F HN 0.118 nan 8.300 nan 0.000 0.500 36 S N 0.456 116.204 115.700 0.081 0.000 2.348 36 S HA -0.165 4.307 4.470 0.002 0.000 0.221 36 S C 2.068 176.599 174.600 -0.116 0.000 1.033 36 S CA 1.156 59.352 58.200 -0.007 0.000 1.010 36 S CB -0.691 62.498 63.200 -0.018 0.000 0.891 36 S HN 0.267 nan 8.310 nan 0.000 0.442 37 L N 0.766 121.799 121.223 -0.317 0.000 2.017 37 L HA -0.076 4.266 4.340 0.002 0.000 0.208 37 L C 2.021 178.692 176.870 -0.332 0.000 1.073 37 L CA 1.785 56.334 54.840 -0.485 0.000 0.745 37 L CB -1.003 40.481 42.059 -0.957 0.000 0.894 37 L HN 0.381 nan 8.230 nan 0.000 0.432 38 Y N 0.426 120.648 120.300 -0.129 0.000 2.114 38 Y HA -0.307 4.245 4.550 0.003 0.000 0.282 38 Y C 2.703 178.627 175.900 0.040 0.000 1.165 38 Y CA 2.155 60.301 58.100 0.077 0.000 1.148 38 Y CB -0.188 38.407 38.460 0.224 0.000 0.972 38 Y HN 0.143 nan 8.280 nan 0.000 0.504 39 R N -0.455 120.090 120.500 0.076 0.000 2.115 39 R HA -0.200 4.142 4.340 0.002 0.000 0.230 39 R C 2.290 178.591 176.300 0.002 0.000 1.111 39 R CA 1.410 57.550 56.100 0.067 0.000 0.976 39 R CB -0.338 30.048 30.300 0.143 0.000 0.870 39 R HN 0.377 nan 8.270 nan 0.000 0.445 40 Q N 1.126 120.860 119.800 -0.111 0.000 2.030 40 Q HA -0.117 4.224 4.340 0.002 0.000 0.204 40 Q C 1.958 177.888 176.000 -0.117 0.000 0.986 40 Q CA 1.595 57.316 55.803 -0.138 0.000 0.843 40 Q CB -0.209 28.419 28.738 -0.183 0.000 0.904 40 Q HN 0.304 nan 8.270 nan 0.000 0.420 41 L N -0.378 120.717 121.223 -0.214 0.000 2.056 41 L HA -0.122 4.219 4.340 0.002 0.000 0.207 41 L C 2.399 179.175 176.870 -0.157 0.000 1.078 41 L CA 0.994 55.719 54.840 -0.191 0.000 0.749 41 L CB -0.755 41.142 42.059 -0.269 0.000 0.901 41 L HN 0.317 nan 8.230 nan 0.000 0.433 42 A N -0.773 121.883 122.820 -0.274 0.000 2.024 42 A HA -0.251 4.071 4.320 0.002 0.000 0.220 42 A C 1.922 179.442 177.584 -0.108 0.000 1.164 42 A CA 1.682 53.577 52.037 -0.236 0.000 0.643 42 A CB -0.706 18.085 19.000 -0.348 0.000 0.806 42 A HN 0.429 nan 8.150 nan 0.000 0.451 43 H N -0.817 118.183 119.070 -0.117 0.000 2.403 43 H HA 0.018 4.576 4.556 0.002 0.000 0.298 43 H C 2.260 177.558 175.328 -0.051 0.000 1.059 43 H CA 1.587 57.595 56.048 -0.065 0.000 1.363 43 H CB -0.051 29.677 29.762 -0.058 0.000 1.410 43 H HN 0.610 nan 8.280 nan 0.000 0.528 44 Q N -0.421 119.411 119.800 0.053 0.000 2.084 44 Q HA -0.047 4.295 4.340 0.002 0.000 0.202 44 Q C 0.292 176.296 176.000 0.006 0.000 0.978 44 Q CA 1.309 57.125 55.803 0.022 0.000 0.844 44 Q CB 0.278 29.020 28.738 0.006 0.000 0.898 44 Q HN 0.166 nan 8.270 nan 0.000 0.426 45 S N -0.452 115.245 115.700 -0.006 0.000 2.537 45 S HA 0.274 4.745 4.470 0.002 0.000 0.271 45 S C -1.285 173.308 174.600 -0.012 0.000 1.148 45 S CA -0.906 57.291 58.200 -0.004 0.000 0.868 45 S CB 1.053 64.261 63.200 0.012 0.000 1.115 45 S HN 0.404 nan 8.310 nan 0.000 0.461 46 N N 1.404 120.100 118.700 -0.006 0.000 2.365 46 N HA 0.109 4.850 4.740 0.002 0.000 0.257 46 N C 0.162 175.689 175.510 0.028 0.000 1.287 46 N CA 0.169 53.221 53.050 0.003 0.000 0.882 46 N CB 0.450 38.930 38.487 -0.012 0.000 1.250 46 N HN 0.459 nan 8.380 nan 0.000 0.507 47 S N -1.998 113.721 115.700 0.031 0.000 2.819 47 S HA 0.186 4.658 4.470 0.002 0.000 0.249 47 S C 0.103 174.730 174.600 0.045 0.000 1.030 47 S CA -0.328 57.897 58.200 0.042 0.000 1.052 47 S CB 0.327 63.547 63.200 0.033 0.000 1.017 47 S HN 0.188 nan 8.310 nan 0.000 0.576 48 T N 1.965 116.547 114.554 0.047 0.000 2.893 48 T HA 0.493 4.845 4.350 0.002 0.000 0.291 48 T C -0.974 173.770 174.700 0.073 0.000 1.028 48 T CA -0.628 61.503 62.100 0.051 0.000 0.995 48 T CB 0.965 69.861 68.868 0.046 0.000 1.051 48 T HN 0.203 nan 8.240 nan 0.000 0.470 49 N N 2.583 121.329 118.700 0.076 0.000 2.453 49 N HA 0.374 5.116 4.740 0.002 0.000 0.253 49 N C -0.537 175.085 175.510 0.187 0.000 1.252 49 N CA 0.096 53.212 53.050 0.111 0.000 0.917 49 N CB 0.463 39.001 38.487 0.084 0.000 1.117 49 N HN 0.565 nan 8.380 nan 0.000 0.442 50 I N 1.361 122.086 120.570 0.259 0.000 2.533 50 I HA 0.401 4.573 4.170 0.002 0.000 0.290 50 I C -1.220 175.208 176.117 0.517 0.000 1.056 50 I CA -0.704 60.828 61.300 0.387 0.000 1.057 50 I CB 1.534 39.701 38.000 0.278 0.000 1.240 50 I HN 0.291 nan 8.210 nan 0.000 0.423 51 F N 8.869 129.097 119.950 0.463 0.000 2.651 51 F HA 0.613 5.141 4.527 0.002 0.000 0.329 51 F C -1.706 174.459 175.800 0.608 0.000 1.186 51 F CA -0.911 57.303 58.000 0.357 0.000 1.046 51 F CB 1.319 40.474 39.000 0.257 0.000 1.296 51 F HN 0.325 nan 8.300 nan 0.000 0.497 52 F N 2.070 121.805 119.950 -0.358 0.000 2.741 52 F HA 0.703 5.231 4.527 0.002 0.000 0.313 52 F C -1.472 174.223 175.800 -0.175 0.000 1.153 52 F CA -1.323 56.598 58.000 -0.131 0.000 0.931 52 F CB 1.218 40.137 39.000 -0.135 0.000 1.335 52 F HN 0.322 nan 8.300 nan 0.000 0.460 53 S N 1.919 117.719 115.700 0.168 0.000 2.461 53 S HA 0.511 4.982 4.470 0.002 0.000 0.322 53 S C -2.158 172.430 174.600 -0.021 0.000 1.063 53 S CA -1.545 56.591 58.200 -0.107 0.000 1.120 53 S CB 0.947 64.121 63.200 -0.044 0.000 0.968 53 S HN 0.498 nan 8.310 nan 0.000 0.467 54 P HA -0.124 nan 4.420 nan 0.000 0.215 54 P C 1.620 179.036 177.300 0.193 0.000 1.157 54 P CA 0.605 63.797 63.100 0.153 0.000 0.868 54 P CB 0.075 31.765 31.700 -0.017 0.000 0.788 55 V N -0.733 119.195 119.914 0.022 0.000 2.343 55 V HA -0.239 3.883 4.120 0.002 0.000 0.247 55 V C 2.275 178.419 176.094 0.083 0.000 1.051 55 V CA 2.453 64.784 62.300 0.052 0.000 1.036 55 V CB -1.165 30.625 31.823 -0.056 0.000 0.654 55 V HN 0.082 nan 8.190 nan 0.000 0.451 56 S N -0.180 115.538 115.700 0.029 0.000 2.348 56 S HA -0.111 4.360 4.470 0.002 0.000 0.221 56 S C 1.742 176.400 174.600 0.097 0.000 1.033 56 S CA 2.025 60.269 58.200 0.072 0.000 1.010 56 S CB -0.347 62.934 63.200 0.135 0.000 0.891 56 S HN 0.614 nan 8.310 nan 0.000 0.442 57 I N 1.407 122.010 120.570 0.056 0.000 2.226 57 I HA -0.201 3.970 4.170 0.002 0.000 0.245 57 I C 2.653 178.846 176.117 0.127 0.000 1.100 57 I CA 1.085 62.440 61.300 0.092 0.000 1.374 57 I CB -0.511 37.508 38.000 0.032 0.000 1.057 57 I HN 0.264 nan 8.210 nan 0.000 0.413 58 A N 0.511 123.380 122.820 0.082 0.000 1.877 58 A HA -0.197 4.125 4.320 0.002 0.000 0.216 58 A C 2.391 179.901 177.584 -0.124 0.000 1.186 58 A CA 2.441 54.438 52.037 -0.067 0.000 0.620 58 A CB -1.095 17.957 19.000 0.087 0.000 0.822 58 A HN 0.369 nan 8.150 nan 0.000 0.443 59 T N 0.365 114.933 114.554 0.024 0.000 2.746 59 T HA -0.041 4.310 4.350 0.002 0.000 0.267 59 T C 2.233 176.848 174.700 -0.141 0.000 1.039 59 T CA 1.659 63.714 62.100 -0.075 0.000 1.142 59 T CB -0.505 68.463 68.868 0.166 0.000 0.866 59 T HN 0.608 nan 8.240 nan 0.000 0.444 60 A N 0.900 123.705 122.820 -0.025 0.000 1.865 60 A HA -0.045 4.276 4.320 0.002 0.000 0.217 60 A C 1.988 179.442 177.584 -0.216 0.000 1.191 60 A CA 1.489 53.482 52.037 -0.074 0.000 0.623 60 A CB -1.081 17.934 19.000 0.026 0.000 0.826 60 A HN 0.506 nan 8.150 nan 0.000 0.444 61 F N -0.179 119.650 119.950 -0.202 0.000 2.407 61 F HA 0.037 4.566 4.527 0.002 0.000 0.299 61 F C 2.618 178.219 175.800 -0.332 0.000 1.097 61 F CA 0.714 58.577 58.000 -0.229 0.000 1.422 61 F CB -0.031 38.847 39.000 -0.204 0.000 1.067 61 F HN 0.272 nan 8.300 nan 0.000 0.539 62 A N -0.303 122.290 122.820 -0.379 0.000 1.968 62 A HA -0.163 4.159 4.320 0.002 0.000 0.217 62 A C 2.187 179.515 177.584 -0.427 0.000 1.169 62 A CA 1.267 52.954 52.037 -0.584 0.000 0.638 62 A CB -0.596 17.526 19.000 -1.463 0.000 0.812 62 A HN 0.419 nan 8.150 nan 0.000 0.446 63 M N -0.893 118.407 119.600 -0.499 0.000 2.077 63 M HA -0.080 4.401 4.480 0.002 0.000 0.261 63 M C 2.073 178.179 176.300 -0.323 0.000 1.070 63 M CA 1.871 56.767 55.300 -0.674 0.000 1.125 63 M CB -0.215 31.996 32.600 -0.648 0.000 1.339 63 M HN 0.374 nan 8.290 nan 0.000 0.409 64 L N 0.743 121.824 121.223 -0.237 0.000 2.013 64 L HA -0.224 4.118 4.340 0.002 0.000 0.212 64 L C 2.592 179.419 176.870 -0.071 0.000 1.073 64 L CA 2.586 57.361 54.840 -0.108 0.000 0.753 64 L CB -0.948 40.914 42.059 -0.329 0.000 0.890 64 L HN 0.611 nan 8.230 nan 0.000 0.432 65 S N -0.804 114.824 115.700 -0.121 0.000 2.407 65 S HA -0.265 4.206 4.470 0.002 0.000 0.235 65 S C 2.024 176.633 174.600 0.014 0.000 1.036 65 S CA 1.756 59.903 58.200 -0.088 0.000 1.013 65 S CB -1.263 61.826 63.200 -0.186 0.000 0.820 65 S HN 0.567 nan 8.310 nan 0.000 0.476 66 L N 0.932 122.148 121.223 -0.012 0.000 2.349 66 L HA 0.017 4.358 4.340 0.002 0.000 0.220 66 L C 2.452 179.352 176.870 0.049 0.000 1.130 66 L CA 1.011 55.848 54.840 -0.004 0.000 0.791 66 L CB -0.744 41.291 42.059 -0.040 0.000 0.918 66 L HN 0.590 nan 8.230 nan 0.000 0.444 67 G N -0.976 107.805 108.800 -0.032 0.000 3.337 67 G HA2 0.101 4.062 3.960 0.002 0.000 0.246 67 G HA3 0.101 4.062 3.960 0.002 0.000 0.246 67 G C 0.486 175.237 174.900 -0.250 0.000 1.131 67 G CA 0.351 45.245 45.100 -0.344 0.000 0.773 67 G HN 0.325 nan 8.290 nan 0.000 0.544 68 T N -2.401 112.103 114.554 -0.085 0.000 2.942 68 T HA 0.769 5.120 4.350 0.002 0.000 0.289 68 T C -0.598 174.118 174.700 0.026 0.000 1.044 68 T CA -0.789 61.291 62.100 -0.033 0.000 1.023 68 T CB 3.017 71.887 68.868 0.004 0.000 1.123 68 T HN 0.019 nan 8.240 nan 0.000 0.512 69 K N -0.407 119.998 120.400 0.007 0.000 2.466 69 K HA 0.675 4.996 4.320 0.002 0.000 0.260 69 K C 0.574 177.175 176.600 0.002 0.000 1.011 69 K CA -0.590 55.677 56.287 -0.033 0.000 0.871 69 K CB 1.792 34.253 32.500 -0.065 0.000 1.404 69 K HN 1.138 nan 8.250 nan 0.000 0.450 70 G N 1.385 110.164 108.800 -0.035 0.000 2.574 70 G HA2 -0.332 3.629 3.960 0.002 0.000 0.282 70 G HA3 -0.332 3.629 3.960 0.002 0.000 0.282 70 G C 0.295 175.225 174.900 0.049 0.000 1.257 70 G CA 0.676 45.774 45.100 -0.003 0.000 0.956 70 G HN 0.734 nan 8.290 nan 0.000 0.560 71 D N -0.192 120.230 120.400 0.038 0.000 2.149 71 D HA -0.055 4.586 4.640 0.002 0.000 0.198 71 D C 2.687 179.020 176.300 0.056 0.000 0.990 71 D CA 1.991 56.020 54.000 0.048 0.000 0.839 71 D CB -0.725 40.093 40.800 0.029 0.000 0.948 71 D HN 0.464 nan 8.370 nan 0.000 0.460 72 T N -0.096 114.485 114.554 0.045 0.000 2.720 72 T HA -0.218 4.133 4.350 0.002 0.000 0.268 72 T C 1.750 176.480 174.700 0.050 0.000 1.037 72 T CA 1.387 63.505 62.100 0.029 0.000 1.144 72 T CB -0.316 68.557 68.868 0.008 0.000 0.864 72 T HN 0.355 nan 8.240 nan 0.000 0.444 73 H N 1.467 120.526 119.070 -0.019 0.000 2.307 73 H HA -0.062 4.495 4.556 0.002 0.000 0.303 73 H C 1.630 176.962 175.328 0.006 0.000 1.073 73 H CA 1.736 57.779 56.048 -0.008 0.000 1.338 73 H CB -0.360 29.399 29.762 -0.005 0.000 1.389 73 H HN 0.226 nan 8.280 nan 0.000 0.503 74 D N 0.408 120.970 120.400 0.270 0.000 2.218 74 D HA -0.130 4.512 4.640 0.002 0.000 0.204 74 D C 2.203 178.531 176.300 0.047 0.000 0.976 74 D CA 1.073 55.176 54.000 0.171 0.000 0.853 74 D CB -0.208 40.684 40.800 0.154 0.000 0.939 74 D HN 0.624 nan 8.370 nan 0.000 0.481 75 E N 0.123 120.342 120.200 0.032 0.000 2.107 75 E HA -0.108 4.243 4.350 0.002 0.000 0.191 75 E C 2.044 178.634 176.600 -0.016 0.000 0.982 75 E CA 0.467 56.874 56.400 0.013 0.000 0.809 75 E CB 0.011 29.720 29.700 0.015 0.000 0.756 75 E HN 0.244 nan 8.360 nan 0.000 0.459 76 I N 1.035 121.574 120.570 -0.052 0.000 2.142 76 I HA -0.304 3.867 4.170 0.002 0.000 0.240 76 I C 2.429 178.498 176.117 -0.080 0.000 1.078 76 I CA 0.973 62.231 61.300 -0.071 0.000 1.343 76 I CB -0.266 37.685 38.000 -0.082 0.000 1.046 76 I HN 0.226 nan 8.210 nan 0.000 0.405 77 L N 0.192 121.345 121.223 -0.117 0.000 2.046 77 L HA -0.224 4.117 4.340 0.002 0.000 0.208 77 L C 2.467 179.401 176.870 0.106 0.000 1.077 77 L CA 1.586 56.390 54.840 -0.061 0.000 0.747 77 L CB -0.732 41.226 42.059 -0.167 0.000 0.896 77 L HN 0.282 nan 8.230 nan 0.000 0.432 78 E N 0.178 120.418 120.200 0.066 0.000 2.110 78 E HA -0.173 4.178 4.350 0.002 0.000 0.193 78 E C 2.182 178.821 176.600 0.065 0.000 0.988 78 E CA 0.996 57.447 56.400 0.085 0.000 0.804 78 E CB -0.232 29.501 29.700 0.056 0.000 0.745 78 E HN 0.537 nan 8.360 nan 0.000 0.458 79 G N 0.592 109.409 108.800 0.028 0.000 2.448 79 G HA2 -0.201 3.761 3.960 0.002 0.000 0.219 79 G HA3 -0.201 3.761 3.960 0.002 0.000 0.219 79 G C 1.222 176.126 174.900 0.006 0.000 1.127 79 G CA 0.342 45.449 45.100 0.010 0.000 0.766 79 G HN 0.147 nan 8.290 nan 0.000 0.552 80 L N 0.291 121.496 121.223 -0.030 0.000 2.688 80 L HA 0.230 4.571 4.340 0.002 0.000 0.234 80 L C 0.505 177.356 176.870 -0.032 0.000 1.192 80 L CA -0.241 54.491 54.840 -0.180 0.000 0.984 80 L CB -0.409 41.590 42.059 -0.100 0.000 1.232 80 L HN 0.190 nan 8.230 nan 0.000 0.465 81 N N -0.310 118.403 118.700 0.021 0.000 2.815 81 N HA -0.178 4.564 4.740 0.002 0.000 0.249 81 N C -0.532 174.828 175.510 -0.250 0.000 1.114 81 N CA 0.742 53.742 53.050 -0.083 0.000 0.717 81 N CB -1.193 37.237 38.487 -0.095 0.000 1.074 81 N HN 0.206 nan 8.380 nan 0.000 0.555 82 F N 0.747 120.692 119.950 -0.008 0.000 2.470 82 F HA 0.424 4.953 4.527 0.002 0.000 0.329 82 F C 0.977 176.776 175.800 -0.003 0.000 1.072 82 F CA -0.764 57.230 58.000 -0.010 0.000 0.989 82 F CB 1.172 40.162 39.000 -0.017 0.000 1.193 82 F HN -0.141 nan 8.300 nan 0.000 0.481 83 N N 2.752 121.566 118.700 0.190 0.000 2.524 83 N HA 0.169 4.910 4.740 0.002 0.000 0.261 83 N C 0.242 175.823 175.510 0.118 0.000 0.998 83 N CA -0.327 52.791 53.050 0.114 0.000 0.915 83 N CB 1.215 39.740 38.487 0.064 0.000 1.187 83 N HN 0.458 nan 8.380 nan 0.000 0.507 84 L N 2.659 123.943 121.223 0.102 0.000 2.351 84 L HA -0.121 4.221 4.340 0.002 0.000 0.220 84 L C 2.414 179.322 176.870 0.063 0.000 1.127 84 L CA 1.627 56.515 54.840 0.081 0.000 0.786 84 L CB -1.228 40.877 42.059 0.077 0.000 0.914 84 L HN 0.701 nan 8.230 nan 0.000 0.443 85 T N -5.530 109.058 114.554 0.057 0.000 3.031 85 T HA -0.001 4.350 4.350 0.002 0.000 0.254 85 T C 1.651 176.377 174.700 0.043 0.000 1.060 85 T CA 0.247 62.372 62.100 0.043 0.000 1.135 85 T CB -0.136 68.753 68.868 0.035 0.000 0.896 85 T HN 0.303 nan 8.240 nan 0.000 0.472 86 E N 0.728 120.959 120.200 0.052 0.000 2.153 86 E HA 0.149 4.500 4.350 0.002 0.000 0.194 86 E C 0.621 177.254 176.600 0.055 0.000 0.988 86 E CA 0.695 57.124 56.400 0.048 0.000 0.811 86 E CB 0.163 29.893 29.700 0.050 0.000 0.746 86 E HN 0.604 nan 8.360 nan 0.000 0.466 87 I N -0.266 120.347 120.570 0.071 0.000 2.752 87 I HA 0.285 4.456 4.170 0.002 0.000 0.295 87 I C -2.894 173.253 176.117 0.050 0.000 1.219 87 I CA -2.796 58.543 61.300 0.066 0.000 1.030 87 I CB 2.354 40.414 38.000 0.100 0.000 1.259 87 I HN -0.279 nan 8.210 nan 0.000 0.423 88 P HA 0.083 nan 4.420 nan 0.000 0.268 88 P C 0.034 177.345 177.300 0.018 0.000 1.205 88 P CA 0.108 63.225 63.100 0.030 0.000 0.771 88 P CB 0.668 32.384 31.700 0.027 0.000 0.858 89 E N 3.660 123.881 120.200 0.035 0.000 2.058 89 E HA -0.260 4.091 4.350 0.002 0.000 0.194 89 E C 1.701 178.341 176.600 0.067 0.000 0.997 89 E CA 1.816 58.238 56.400 0.036 0.000 0.801 89 E CB -0.845 28.937 29.700 0.136 0.000 0.746 89 E HN 0.376 nan 8.360 nan 0.000 0.450 90 A N 0.626 123.517 122.820 0.119 0.000 1.940 90 A HA -0.260 4.062 4.320 0.002 0.000 0.219 90 A C 2.177 179.823 177.584 0.105 0.000 1.176 90 A CA 1.864 53.993 52.037 0.153 0.000 0.631 90 A CB -0.594 18.463 19.000 0.096 0.000 0.814 90 A HN 0.466 nan 8.150 nan 0.000 0.446 91 Q N -0.887 118.937 119.800 0.040 0.000 2.311 91 Q HA 0.082 4.423 4.340 0.002 0.000 0.203 91 Q C 1.853 177.842 176.000 -0.019 0.000 0.954 91 Q CA 0.743 56.559 55.803 0.021 0.000 0.885 91 Q CB -0.131 28.614 28.738 0.012 0.000 0.963 91 Q HN 0.752 nan 8.270 nan 0.000 0.471 92 I N 0.123 120.621 120.570 -0.120 0.000 2.286 92 I HA -0.247 3.925 4.170 0.002 0.000 0.245 92 I C 2.048 178.092 176.117 -0.121 0.000 1.104 92 I CA 0.918 62.053 61.300 -0.276 0.000 1.397 92 I CB -0.303 37.337 38.000 -0.601 0.000 1.072 92 I HN 0.288 nan 8.210 nan 0.000 0.417 93 H N 0.899 120.031 119.070 0.103 0.000 2.363 93 H HA -0.078 4.480 4.556 0.002 0.000 0.301 93 H C 2.017 177.473 175.328 0.213 0.000 1.074 93 H CA 1.205 57.372 56.048 0.199 0.000 1.354 93 H CB -0.183 29.671 29.762 0.153 0.000 1.397 93 H HN 0.433 nan 8.280 nan 0.000 0.516 94 E N 0.150 120.489 120.200 0.231 0.000 2.110 94 E HA -0.098 4.253 4.350 0.002 0.000 0.193 94 E C 2.489 179.166 176.600 0.128 0.000 0.988 94 E CA 0.650 57.139 56.400 0.147 0.000 0.804 94 E CB -0.141 29.613 29.700 0.090 0.000 0.745 94 E HN 0.456 nan 8.360 nan 0.000 0.458 95 G N 0.686 109.545 108.800 0.098 0.000 2.440 95 G HA2 -0.252 3.709 3.960 0.002 0.000 0.218 95 G HA3 -0.252 3.709 3.960 0.002 0.000 0.218 95 G C 1.223 176.170 174.900 0.078 0.000 1.154 95 G CA 0.465 45.597 45.100 0.053 0.000 0.767 95 G HN 0.142 nan 8.290 nan 0.000 0.552 96 F N 0.555 120.574 119.950 0.115 0.000 2.293 96 F HA 0.053 4.581 4.527 0.003 0.000 0.300 96 F C 2.833 178.685 175.800 0.087 0.000 1.086 96 F CA 1.362 59.447 58.000 0.142 0.000 1.375 96 F CB -0.093 39.033 39.000 0.211 0.000 1.045 96 F HN 0.196 nan 8.300 nan 0.000 0.516 97 Q N 0.055 119.972 119.800 0.195 0.000 2.083 97 Q HA -0.158 4.184 4.340 0.002 0.000 0.198 97 Q C 2.095 178.179 176.000 0.140 0.000 0.969 97 Q CA 1.230 57.013 55.803 -0.034 0.000 0.838 97 Q CB 0.096 28.795 28.738 -0.066 0.000 0.900 97 Q HN 0.234 nan 8.270 nan 0.000 0.436 98 E N 0.621 120.912 120.200 0.152 0.000 2.015 98 E HA -0.183 4.169 4.350 0.002 0.000 0.191 98 E C 2.082 178.842 176.600 0.268 0.000 0.991 98 E CA 0.669 57.193 56.400 0.207 0.000 0.802 98 E CB -0.516 29.321 29.700 0.227 0.000 0.759 98 E HN 0.267 nan 8.360 nan 0.000 0.447 99 L N 1.491 122.854 121.223 0.233 0.000 2.021 99 L HA -0.197 4.145 4.340 0.002 0.000 0.215 99 L C 2.449 179.319 176.870 -0.001 0.000 1.074 99 L CA 1.525 56.376 54.840 0.018 0.000 0.760 99 L CB -0.793 41.247 42.059 -0.032 0.000 0.889 99 L HN 0.167 nan 8.230 nan 0.000 0.433 100 L N -1.507 119.755 121.223 0.064 0.000 2.042 100 L HA -0.288 4.054 4.340 0.002 0.000 0.210 100 L C 2.318 179.120 176.870 -0.113 0.000 1.076 100 L CA 1.608 56.440 54.840 -0.014 0.000 0.749 100 L CB -0.417 41.626 42.059 -0.026 0.000 0.893 100 L HN 0.407 nan 8.230 nan 0.000 0.432 101 H N -1.281 117.746 119.070 -0.070 0.000 2.545 101 H HA -0.086 4.471 4.556 0.002 0.000 0.282 101 H C 1.935 177.229 175.328 -0.057 0.000 1.020 101 H CA 1.624 57.616 56.048 -0.094 0.000 1.243 101 H CB 0.053 29.779 29.762 -0.059 0.000 1.377 101 H HN 0.354 nan 8.280 nan 0.000 0.581 102 T N 0.217 114.800 114.554 0.048 0.000 2.983 102 T HA 0.012 4.363 4.350 0.002 0.000 0.250 102 T C 1.953 176.618 174.700 -0.059 0.000 1.037 102 T CA 0.316 62.417 62.100 0.003 0.000 1.142 102 T CB 0.063 68.896 68.868 -0.060 0.000 0.876 102 T HN 0.203 nan 8.240 nan 0.000 0.455 103 L N 1.714 122.883 121.223 -0.090 0.000 2.209 103 L HA 0.205 4.547 4.340 0.002 0.000 0.207 103 L C 1.325 178.156 176.870 -0.064 0.000 1.094 103 L CA 1.543 56.333 54.840 -0.083 0.000 0.790 103 L CB -0.875 41.127 42.059 -0.094 0.000 0.932 103 L HN 0.163 nan 8.230 nan 0.000 0.447 104 N N 1.311 119.953 118.700 -0.096 0.000 2.416 104 N HA -0.073 4.669 4.740 0.002 0.000 0.215 104 N C 0.345 175.789 175.510 -0.110 0.000 1.208 104 N CA 0.434 53.413 53.050 -0.119 0.000 0.834 104 N CB 0.136 38.492 38.487 -0.220 0.000 1.072 104 N HN 0.772 nan 8.380 nan 0.000 0.472 105 Q N -1.670 118.093 119.800 -0.061 0.000 1.748 105 Q HA 0.171 4.513 4.340 0.002 0.000 0.172 105 Q C -2.783 173.212 176.000 -0.009 0.000 0.810 105 Q CA -0.545 55.235 55.803 -0.037 0.000 0.831 105 Q CB -0.480 28.228 28.738 -0.050 0.000 1.249 105 Q HN 0.021 nan 8.270 nan 0.000 0.375 106 P HA 0.073 nan 4.420 nan 0.000 0.259 106 P C -0.619 176.689 177.300 0.013 0.000 1.635 106 P CA 0.334 63.442 63.100 0.013 0.000 1.199 106 P CB 0.335 32.048 31.700 0.022 0.000 1.850 107 D N 0.931 121.339 120.400 0.012 0.000 2.346 107 D HA 0.012 4.654 4.640 0.002 0.000 0.248 107 D C 0.906 177.212 176.300 0.009 0.000 1.173 107 D CA 0.356 54.362 54.000 0.009 0.000 0.878 107 D CB 0.294 41.101 40.800 0.011 0.000 0.919 107 D HN 0.286 nan 8.370 nan 0.000 0.513 108 S N 0.483 116.191 115.700 0.013 0.000 2.375 108 S HA 0.020 4.491 4.470 0.002 0.000 0.231 108 S C 1.128 175.727 174.600 -0.003 0.000 1.319 108 S CA -0.126 58.084 58.200 0.015 0.000 0.983 108 S CB 0.386 63.604 63.200 0.030 0.000 0.889 108 S HN 0.132 nan 8.310 nan 0.000 0.489 109 Q N 1.556 121.352 119.800 -0.006 0.000 2.286 109 Q HA 0.293 4.635 4.340 0.002 0.000 0.281 109 Q C -0.713 175.232 176.000 -0.092 0.000 0.897 109 Q CA -0.024 55.760 55.803 -0.032 0.000 1.023 109 Q CB -0.597 28.136 28.738 -0.009 0.000 1.151 109 Q HN 0.473 nan 8.270 nan 0.000 0.445 110 L N -1.800 119.351 121.223 -0.121 0.000 2.295 110 L HA 0.533 4.874 4.340 0.002 0.000 0.281 110 L C -0.369 176.317 176.870 -0.306 0.000 1.018 110 L CA -0.941 53.730 54.840 -0.281 0.000 0.841 110 L CB 0.951 42.901 42.059 -0.181 0.000 1.218 110 L HN -0.127 nan 8.230 nan 0.000 0.424 111 Q N 4.517 124.086 119.800 -0.385 0.000 2.320 111 Q HA 0.251 4.592 4.340 0.002 0.000 0.262 111 Q C -0.707 175.140 176.000 -0.256 0.000 1.225 111 Q CA 0.603 56.269 55.803 -0.227 0.000 0.916 111 Q CB 0.722 29.383 28.738 -0.129 0.000 1.417 111 Q HN 0.656 nan 8.270 nan 0.000 0.462 112 L N 3.546 124.740 121.223 -0.048 0.000 2.401 112 L HA 0.375 4.716 4.340 0.002 0.000 0.263 112 L C -0.667 176.300 176.870 0.162 0.000 1.004 112 L CA -0.415 54.491 54.840 0.110 0.000 0.881 112 L CB 1.153 43.312 42.059 0.166 0.000 1.219 112 L HN 0.517 nan 8.230 nan 0.000 0.441 113 T N -0.310 114.401 114.554 0.262 0.000 2.771 113 T HA 0.560 4.912 4.350 0.002 0.000 0.281 113 T C -0.248 174.601 174.700 0.249 0.000 0.982 113 T CA -0.574 61.676 62.100 0.251 0.000 0.978 113 T CB 1.740 70.785 68.868 0.296 0.000 0.930 113 T HN 0.454 nan 8.240 nan 0.000 0.447 114 T N 1.647 116.256 114.554 0.092 0.000 2.952 114 T HA 0.728 5.079 4.350 0.002 0.000 0.305 114 T C -0.389 174.126 174.700 -0.308 0.000 1.064 114 T CA -0.274 61.755 62.100 -0.119 0.000 1.008 114 T CB 1.192 70.041 68.868 -0.032 0.000 1.078 114 T HN 1.193 nan 8.240 nan 0.000 0.459 115 G N 2.645 110.922 108.800 -0.872 0.000 2.619 115 G HA2 0.614 4.576 3.960 0.002 0.000 0.296 115 G HA3 0.614 4.576 3.960 0.002 0.000 0.296 115 G C -1.631 173.163 174.900 -0.178 0.000 1.334 115 G CA -0.673 44.154 45.100 -0.455 0.000 0.934 115 G HN 0.633 nan 8.290 nan 0.000 0.476 116 N N -0.366 118.410 118.700 0.128 0.000 2.399 116 N HA 0.597 5.338 4.740 0.002 0.000 0.284 116 N C -0.406 175.240 175.510 0.227 0.000 1.025 116 N CA -0.286 52.865 53.050 0.169 0.000 0.885 116 N CB 2.129 40.660 38.487 0.073 0.000 1.339 116 N HN 0.779 nan 8.380 nan 0.000 0.487 117 G N 1.882 110.840 108.800 0.263 0.000 2.626 117 G HA2 0.609 4.570 3.960 0.002 0.000 0.304 117 G HA3 0.609 4.570 3.960 0.002 0.000 0.304 117 G C -0.685 174.242 174.900 0.045 0.000 1.385 117 G CA -0.401 44.704 45.100 0.008 0.000 0.957 117 G HN 0.375 nan 8.290 nan 0.000 0.504 118 L N 1.525 122.609 121.223 -0.232 0.000 2.317 118 L HA 0.621 4.962 4.340 0.002 0.000 0.281 118 L C -0.975 175.750 176.870 -0.242 0.000 1.024 118 L CA -0.788 54.077 54.840 0.042 0.000 0.810 118 L CB 1.760 43.911 42.059 0.153 0.000 1.240 118 L HN 0.373 nan 8.230 nan 0.000 0.427 119 F N 3.634 123.833 119.950 0.414 0.000 2.539 119 F HA 0.583 5.112 4.527 0.002 0.000 0.328 119 F C -0.447 175.667 175.800 0.523 0.000 1.148 119 F CA -0.447 57.786 58.000 0.388 0.000 0.940 119 F CB 1.463 40.682 39.000 0.365 0.000 1.194 119 F HN 0.139 nan 8.300 nan 0.000 0.438 120 L N 1.887 123.328 121.223 0.364 0.000 2.362 120 L HA 0.563 4.904 4.340 0.002 0.000 0.271 120 L C 0.094 177.057 176.870 0.156 0.000 1.002 120 L CA -0.814 54.195 54.840 0.281 0.000 0.818 120 L CB 2.139 44.186 42.059 -0.020 0.000 1.298 120 L HN 0.443 nan 8.230 nan 0.000 0.420 121 S N 0.597 116.465 115.700 0.281 0.000 2.558 121 S HA -0.015 4.456 4.470 0.002 0.000 0.288 121 S C 1.038 175.659 174.600 0.036 0.000 1.318 121 S CA -0.293 57.995 58.200 0.147 0.000 1.056 121 S CB 0.554 63.923 63.200 0.281 0.000 0.853 121 S HN 0.646 nan 8.310 nan 0.000 0.505 122 E N 2.023 122.216 120.200 -0.011 0.000 2.333 122 E HA -0.096 4.255 4.350 0.002 0.000 0.198 122 E C 1.898 178.501 176.600 0.006 0.000 1.007 122 E CA 0.630 57.023 56.400 -0.011 0.000 0.845 122 E CB -0.178 29.510 29.700 -0.020 0.000 0.766 122 E HN 0.837 nan 8.360 nan 0.000 0.507 123 G N 0.434 109.250 108.800 0.026 0.000 2.848 123 G HA2 -0.007 3.955 3.960 0.002 0.000 0.208 123 G HA3 -0.007 3.955 3.960 0.002 0.000 0.208 123 G C 0.378 175.285 174.900 0.012 0.000 1.152 123 G CA -0.009 45.105 45.100 0.023 0.000 0.789 123 G HN -0.037 nan 8.290 nan 0.000 0.531 124 L N 0.142 121.368 121.223 0.004 0.000 2.317 124 L HA 0.441 4.783 4.340 0.002 0.000 0.281 124 L C 0.076 176.929 176.870 -0.028 0.000 1.024 124 L CA -1.080 53.750 54.840 -0.017 0.000 0.810 124 L CB 1.680 43.719 42.059 -0.034 0.000 1.240 124 L HN -0.020 nan 8.230 nan 0.000 0.427 125 K N 3.620 124.000 120.400 -0.033 0.000 2.267 125 K HA 0.497 4.818 4.320 0.002 0.000 0.282 125 K C -0.812 175.760 176.600 -0.047 0.000 1.078 125 K CA -0.413 55.854 56.287 -0.033 0.000 0.903 125 K CB 0.504 32.987 32.500 -0.028 0.000 1.111 125 K HN 0.502 nan 8.250 nan 0.000 0.475 126 L N 3.804 125.001 121.223 -0.043 0.000 2.399 126 L HA 0.319 4.661 4.340 0.002 0.000 0.266 126 L C -0.090 176.765 176.870 -0.024 0.000 1.114 126 L CA -1.244 53.569 54.840 -0.044 0.000 0.804 126 L CB 1.566 43.608 42.059 -0.030 0.000 1.146 126 L HN 0.304 nan 8.230 nan 0.000 0.451 127 V N 1.870 121.775 119.914 -0.014 0.000 2.488 127 V HA -0.014 4.107 4.120 0.002 0.000 0.277 127 V C 0.899 177.018 176.094 0.041 0.000 1.046 127 V CA -0.114 62.189 62.300 0.004 0.000 0.986 127 V CB 1.076 32.895 31.823 -0.006 0.000 0.989 127 V HN 0.766 nan 8.190 nan 0.000 0.475 128 D N 3.485 123.891 120.400 0.011 0.000 2.106 128 D HA -0.191 4.450 4.640 0.002 0.000 0.191 128 D C 2.031 178.333 176.300 0.003 0.000 0.997 128 D CA 1.575 55.574 54.000 -0.002 0.000 0.834 128 D CB 0.236 41.027 40.800 -0.015 0.000 0.956 128 D HN 0.584 nan 8.370 nan 0.000 0.448 129 K N 0.646 121.056 120.400 0.016 0.000 2.059 129 K HA -0.213 4.108 4.320 0.002 0.000 0.212 129 K C 2.038 178.659 176.600 0.036 0.000 1.050 129 K CA 1.144 57.442 56.287 0.018 0.000 0.927 129 K CB -1.052 31.462 32.500 0.024 0.000 0.714 129 K HN 0.133 nan 8.250 nan 0.000 0.447 130 F N 0.868 120.771 119.950 -0.078 0.000 2.102 130 F HA -0.059 4.470 4.527 0.002 0.000 0.298 130 F C 1.665 177.406 175.800 -0.099 0.000 1.105 130 F CA 1.568 59.511 58.000 -0.095 0.000 1.239 130 F CB -0.328 38.605 39.000 -0.113 0.000 0.991 130 F HN 0.027 nan 8.300 nan 0.000 0.474 131 L N -0.034 121.099 121.223 -0.149 0.000 2.127 131 L HA -0.216 4.125 4.340 0.002 0.000 0.211 131 L C 2.460 179.180 176.870 -0.251 0.000 1.089 131 L CA 1.866 56.555 54.840 -0.251 0.000 0.757 131 L CB -0.820 41.168 42.059 -0.118 0.000 0.899 131 L HN 0.273 nan 8.230 nan 0.000 0.434 132 E N 0.020 120.119 120.200 -0.168 0.000 2.112 132 E HA -0.178 4.174 4.350 0.002 0.000 0.190 132 E C 1.521 178.043 176.600 -0.130 0.000 0.979 132 E CA 0.880 57.202 56.400 -0.131 0.000 0.814 132 E CB 0.244 29.898 29.700 -0.076 0.000 0.762 132 E HN 0.442 nan 8.360 nan 0.000 0.460 133 D N 0.326 120.641 120.400 -0.143 0.000 2.084 133 D HA -0.159 4.482 4.640 0.002 0.000 0.196 133 D C 2.184 178.450 176.300 -0.058 0.000 0.985 133 D CA 1.756 55.722 54.000 -0.057 0.000 0.826 133 D CB -0.568 40.206 40.800 -0.043 0.000 0.978 133 D HN 0.269 nan 8.370 nan 0.000 0.456 134 V N -0.227 119.497 119.914 -0.316 0.000 2.392 134 V HA -0.249 3.872 4.120 0.002 0.000 0.249 134 V C 1.867 177.865 176.094 -0.160 0.000 1.059 134 V CA 1.665 63.788 62.300 -0.296 0.000 1.051 134 V CB -0.666 30.819 31.823 -0.563 0.000 0.658 134 V HN 0.053 nan 8.190 nan 0.000 0.455 135 K N 0.093 120.367 120.400 -0.210 0.000 2.098 135 K HA 0.068 4.389 4.320 0.002 0.000 0.203 135 K C 2.279 178.744 176.600 -0.226 0.000 1.051 135 K CA 1.081 57.248 56.287 -0.200 0.000 0.957 135 K CB -0.144 32.227 32.500 -0.214 0.000 0.738 135 K HN 0.421 nan 8.250 nan 0.000 0.447 136 K N 0.640 120.929 120.400 -0.184 0.000 2.168 136 K HA 0.117 4.439 4.320 0.002 0.000 0.201 136 K C 2.152 178.657 176.600 -0.157 0.000 1.049 136 K CA 0.626 56.785 56.287 -0.214 0.000 0.974 136 K CB 0.129 32.559 32.500 -0.116 0.000 0.792 136 K HN 0.100 nan 8.250 nan 0.000 0.463 137 L N -0.687 120.531 121.223 -0.008 0.000 2.127 137 L HA 0.002 4.343 4.340 0.002 0.000 0.203 137 L C 1.589 178.479 176.870 0.032 0.000 1.080 137 L CA 1.104 55.986 54.840 0.070 0.000 0.768 137 L CB -0.309 41.800 42.059 0.085 0.000 0.924 137 L HN 0.051 nan 8.230 nan 0.000 0.444 138 Y N -1.400 118.938 120.300 0.064 0.000 2.485 138 Y HA 0.181 4.732 4.550 0.002 0.000 0.260 138 Y C 0.523 176.476 175.900 0.089 0.000 1.173 138 Y CA -0.445 57.695 58.100 0.067 0.000 1.252 138 Y CB -0.309 38.141 38.460 -0.016 0.000 1.123 138 Y HN 0.142 nan 8.280 nan 0.000 0.524 139 H N -0.618 118.448 119.070 -0.006 0.000 2.636 139 H HA -0.178 4.379 4.556 0.002 0.000 0.312 139 H C 0.124 175.446 175.328 -0.010 0.000 1.106 139 H CA 0.750 56.777 56.048 -0.035 0.000 1.139 139 H CB -1.154 28.553 29.762 -0.092 0.000 1.423 139 H HN 0.234 nan 8.280 nan 0.000 0.407 140 S N 0.378 116.106 115.700 0.047 0.000 2.718 140 S HA 0.359 4.830 4.470 0.002 0.000 0.300 140 S C 0.410 174.945 174.600 -0.108 0.000 1.117 140 S CA -1.088 57.119 58.200 0.011 0.000 1.002 140 S CB 2.388 65.586 63.200 -0.004 0.000 1.092 140 S HN 0.183 nan 8.310 nan 0.000 0.542 141 E N 0.942 121.057 120.200 -0.141 0.000 2.204 141 E HA 0.609 4.960 4.350 0.002 0.000 0.276 141 E C -0.910 175.293 176.600 -0.660 0.000 0.974 141 E CA -0.610 55.524 56.400 -0.442 0.000 0.815 141 E CB 1.714 31.200 29.700 -0.357 0.000 1.119 141 E HN 0.596 nan 8.360 nan 0.000 0.393 142 A N 3.658 125.947 122.820 -0.885 0.000 2.375 142 A HA 0.628 4.949 4.320 0.002 0.000 0.291 142 A C -1.245 175.848 177.584 -0.817 0.000 1.160 142 A CA -0.636 50.994 52.037 -0.679 0.000 0.747 142 A CB 0.162 18.915 19.000 -0.411 0.000 1.170 142 A HN 0.405 nan 8.150 nan 0.000 0.458 143 F N 0.876 120.566 119.950 -0.434 0.000 2.538 143 F HA 0.664 5.192 4.527 0.002 0.000 0.325 143 F C 0.829 176.519 175.800 -0.183 0.000 1.066 143 F CA -0.407 57.402 58.000 -0.318 0.000 0.946 143 F CB 2.471 41.224 39.000 -0.411 0.000 1.199 143 F HN 0.481 nan 8.300 nan 0.000 0.473 144 T N 0.631 115.238 114.554 0.088 0.000 2.824 144 T HA 0.762 5.114 4.350 0.002 0.000 0.280 144 T C -0.545 174.149 174.700 -0.009 0.000 0.995 144 T CA -0.746 61.365 62.100 0.019 0.000 1.009 144 T CB 1.352 70.217 68.868 -0.006 0.000 0.955 144 T HN 0.705 nan 8.240 nan 0.000 0.452 145 V N -0.326 119.504 119.914 -0.139 0.000 3.188 145 V HA 0.720 4.842 4.120 0.002 0.000 0.305 145 V C -1.099 174.764 176.094 -0.385 0.000 1.232 145 V CA -1.388 60.763 62.300 -0.250 0.000 1.043 145 V CB 2.069 33.706 31.823 -0.311 0.000 1.068 145 V HN 0.851 nan 8.190 nan 0.000 0.439 146 N N 1.070 119.610 118.700 -0.267 0.000 2.500 146 N HA 0.475 5.216 4.740 0.002 0.000 0.236 146 N C -0.114 175.308 175.510 -0.146 0.000 1.022 146 N CA -0.559 52.390 53.050 -0.168 0.000 0.935 146 N CB 0.491 38.941 38.487 -0.061 0.000 1.147 146 N HN 0.643 nan 8.380 nan 0.000 0.512 147 F N 1.434 121.417 119.950 0.056 0.000 2.771 147 F HA 0.204 4.732 4.527 0.002 0.000 0.299 147 F C 2.206 178.026 175.800 0.034 0.000 1.177 147 F CA 0.181 58.210 58.000 0.049 0.000 1.450 147 F CB -0.357 38.680 39.000 0.062 0.000 1.114 147 F HN 0.633 nan 8.300 nan 0.000 0.587 148 G N -1.073 107.824 108.800 0.160 0.000 2.422 148 G HA2 -0.223 3.739 3.960 0.002 0.000 0.218 148 G HA3 -0.223 3.739 3.960 0.002 0.000 0.218 148 G C 0.562 175.512 174.900 0.083 0.000 1.146 148 G CA 0.623 45.786 45.100 0.105 0.000 0.769 148 G HN 0.209 nan 8.290 nan 0.000 0.547 149 D N 0.431 120.872 120.400 0.069 0.000 2.499 149 D HA 0.208 4.849 4.640 0.002 0.000 0.225 149 D C 2.016 178.358 176.300 0.071 0.000 1.124 149 D CA 0.249 54.280 54.000 0.051 0.000 0.938 149 D CB 0.706 41.521 40.800 0.024 0.000 1.014 149 D HN 0.175 nan 8.370 nan 0.000 0.517 150 T N 0.710 115.315 114.554 0.086 0.000 2.665 150 T HA -0.199 4.152 4.350 0.002 0.000 0.268 150 T C 1.435 176.173 174.700 0.063 0.000 1.035 150 T CA 0.830 62.990 62.100 0.099 0.000 1.151 150 T CB 0.024 68.936 68.868 0.073 0.000 0.862 150 T HN 0.204 nan 8.240 nan 0.000 0.438 151 E N 0.887 121.109 120.200 0.037 0.000 2.153 151 E HA -0.089 4.262 4.350 0.002 0.000 0.194 151 E C 2.375 178.982 176.600 0.011 0.000 0.988 151 E CA 0.849 57.260 56.400 0.019 0.000 0.811 151 E CB -0.273 29.434 29.700 0.011 0.000 0.746 151 E HN 0.566 nan 8.360 nan 0.000 0.466 152 E N 0.366 120.574 120.200 0.013 0.000 2.072 152 E HA -0.035 4.316 4.350 0.002 0.000 0.190 152 E C 1.927 178.520 176.600 -0.011 0.000 0.982 152 E CA 0.845 57.243 56.400 -0.003 0.000 0.803 152 E CB -0.025 29.672 29.700 -0.005 0.000 0.755 152 E HN 0.157 nan 8.360 nan 0.000 0.453 153 A N 1.691 124.515 122.820 0.006 0.000 1.858 153 A HA -0.231 4.090 4.320 0.002 0.000 0.216 153 A C 2.190 179.766 177.584 -0.012 0.000 1.190 153 A CA 2.117 54.152 52.037 -0.004 0.000 0.617 153 A CB -0.521 18.546 19.000 0.112 0.000 0.827 153 A HN 0.218 nan 8.150 nan 0.000 0.443 154 K N 0.066 120.475 120.400 0.014 0.000 2.044 154 K HA -0.256 4.065 4.320 0.002 0.000 0.210 154 K C 2.177 178.749 176.600 -0.047 0.000 1.049 154 K CA 2.103 58.379 56.287 -0.019 0.000 0.927 154 K CB -0.244 32.255 32.500 -0.001 0.000 0.713 154 K HN 0.449 nan 8.250 nan 0.000 0.443 155 K N 0.462 120.842 120.400 -0.032 0.000 2.103 155 K HA -0.218 4.103 4.320 0.002 0.000 0.207 155 K C 2.133 178.707 176.600 -0.044 0.000 1.048 155 K CA 1.805 58.072 56.287 -0.034 0.000 0.930 155 K CB -0.007 32.478 32.500 -0.024 0.000 0.716 155 K HN 0.327 nan 8.250 nan 0.000 0.444 156 Q N 0.271 120.039 119.800 -0.055 0.000 2.119 156 Q HA -0.104 4.237 4.340 0.002 0.000 0.201 156 Q C 2.190 178.148 176.000 -0.070 0.000 0.972 156 Q CA 1.500 57.268 55.803 -0.057 0.000 0.847 156 Q CB -0.025 28.682 28.738 -0.052 0.000 0.903 156 Q HN 0.407 nan 8.270 nan 0.000 0.433 157 I N 0.732 121.178 120.570 -0.206 0.000 2.202 157 I HA -0.288 3.883 4.170 0.002 0.000 0.242 157 I C 1.782 177.867 176.117 -0.054 0.000 1.091 157 I CA 1.229 62.306 61.300 -0.372 0.000 1.368 157 I CB -0.395 37.270 38.000 -0.558 0.000 1.058 157 I HN 0.277 nan 8.210 nan 0.000 0.410 158 N N 0.548 119.214 118.700 -0.056 0.000 2.166 158 N HA -0.200 4.542 4.740 0.002 0.000 0.186 158 N C 1.378 176.877 175.510 -0.019 0.000 1.019 158 N CA 1.088 54.122 53.050 -0.028 0.000 0.856 158 N CB -0.040 38.423 38.487 -0.040 0.000 0.993 158 N HN 0.267 nan 8.380 nan 0.000 0.426 159 D N 0.237 120.631 120.400 -0.009 0.000 2.149 159 D HA -0.175 4.466 4.640 0.002 0.000 0.198 159 D C 1.626 177.932 176.300 0.011 0.000 0.990 159 D CA 0.827 54.820 54.000 -0.012 0.000 0.839 159 D CB -0.235 40.558 40.800 -0.012 0.000 0.948 159 D HN 0.372 nan 8.370 nan 0.000 0.460 160 Y N 0.930 121.203 120.300 -0.046 0.000 2.145 160 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 160 Y C 2.044 177.947 175.900 0.005 0.000 1.145 160 Y CA 1.272 59.381 58.100 0.015 0.000 1.148 160 Y CB -0.312 38.223 38.460 0.124 0.000 0.981 160 Y HN -0.183 nan 8.280 nan 0.000 0.507 161 V N 1.017 120.809 119.914 -0.204 0.000 2.515 161 V HA -0.228 3.893 4.120 0.002 0.000 0.250 161 V C 2.337 178.154 176.094 -0.461 0.000 1.058 161 V CA 2.106 64.104 62.300 -0.503 0.000 1.064 161 V CB -0.643 31.031 31.823 -0.248 0.000 0.675 161 V HN 0.521 nan 8.190 nan 0.000 0.461 162 E N 0.200 120.246 120.200 -0.256 0.000 2.107 162 E HA -0.227 4.124 4.350 0.002 0.000 0.191 162 E C 2.168 178.649 176.600 -0.198 0.000 0.982 162 E CA 0.957 57.235 56.400 -0.203 0.000 0.809 162 E CB 0.115 29.740 29.700 -0.125 0.000 0.756 162 E HN 0.395 nan 8.360 nan 0.000 0.459 163 K N 0.027 120.318 120.400 -0.181 0.000 2.025 163 K HA -0.041 4.281 4.320 0.002 0.000 0.207 163 K C 1.905 178.409 176.600 -0.160 0.000 1.049 163 K CA 1.309 57.514 56.287 -0.135 0.000 0.933 163 K CB -0.796 31.653 32.500 -0.084 0.000 0.714 163 K HN 0.245 nan 8.250 nan 0.000 0.438 164 G N -0.465 108.178 108.800 -0.261 0.000 2.432 164 G HA2 -0.235 3.726 3.960 0.002 0.000 0.219 164 G HA3 -0.235 3.726 3.960 0.002 0.000 0.219 164 G C 1.375 176.198 174.900 -0.130 0.000 1.135 164 G CA 1.608 46.600 45.100 -0.181 0.000 0.767 164 G HN 0.493 nan 8.290 nan 0.000 0.550 165 T N -2.577 111.815 114.554 -0.270 0.000 3.122 165 T HA 0.207 4.558 4.350 0.002 0.000 0.250 165 T C 0.828 175.391 174.700 -0.229 0.000 1.067 165 T CA 0.365 62.331 62.100 -0.224 0.000 0.966 165 T CB 0.076 68.763 68.868 -0.302 0.000 1.002 165 T HN 0.194 nan 8.240 nan 0.000 0.542 166 Q N 0.322 120.017 119.800 -0.174 0.000 2.460 166 Q HA -0.202 4.140 4.340 0.002 0.000 0.311 166 Q C 1.230 177.132 176.000 -0.163 0.000 1.396 166 Q CA 0.946 56.661 55.803 -0.146 0.000 0.838 166 Q CB -2.350 26.307 28.738 -0.135 0.000 1.140 166 Q HN 1.212 nan 8.270 nan 0.000 0.415 167 G N -0.053 108.650 108.800 -0.161 0.000 2.196 167 G HA2 -0.437 3.525 3.960 0.002 0.000 0.268 167 G HA3 -0.437 3.525 3.960 0.002 0.000 0.268 167 G C 0.786 175.588 174.900 -0.163 0.000 0.975 167 G CA 1.199 46.214 45.100 -0.142 0.000 0.648 167 G HN 0.432 nan 8.290 nan 0.000 0.538 168 K N 0.418 120.681 120.400 -0.229 0.000 2.365 168 K HA 0.262 4.584 4.320 0.002 0.000 0.199 168 K C 0.746 177.241 176.600 -0.175 0.000 1.045 168 K CA 0.808 56.932 56.287 -0.271 0.000 0.962 168 K CB -0.062 32.106 32.500 -0.553 0.000 0.759 168 K HN 0.528 nan 8.250 nan 0.000 0.469 169 I N 1.713 122.184 120.570 -0.165 0.000 2.497 169 I HA 0.199 4.370 4.170 0.002 0.000 0.284 169 I C -0.988 175.058 176.117 -0.117 0.000 1.060 169 I CA -1.256 59.975 61.300 -0.115 0.000 1.071 169 I CB 1.975 39.900 38.000 -0.125 0.000 1.216 169 I HN -0.214 nan 8.210 nan 0.000 0.442 170 V N 1.327 121.194 119.914 -0.078 0.000 2.919 170 V HA 0.582 4.703 4.120 0.002 0.000 0.316 170 V C 0.172 176.237 176.094 -0.048 0.000 1.077 170 V CA -0.639 61.619 62.300 -0.069 0.000 0.977 170 V CB 1.836 33.623 31.823 -0.060 0.000 1.039 170 V HN 0.793 nan 8.190 nan 0.000 0.441 171 D N 0.627 121.001 120.400 -0.044 0.000 2.706 171 D HA -0.211 4.430 4.640 0.002 0.000 0.230 171 D C 0.841 177.127 176.300 -0.025 0.000 1.184 171 D CA 1.151 55.131 54.000 -0.032 0.000 0.628 171 D CB -0.275 40.508 40.800 -0.027 0.000 1.019 171 D HN 0.745 nan 8.370 nan 0.000 0.415 172 L N -0.180 121.029 121.223 -0.023 0.000 1.989 172 L HA -0.143 4.198 4.340 0.002 0.000 0.211 172 L C 0.924 177.792 176.870 -0.002 0.000 1.071 172 L CA 1.694 56.531 54.840 -0.005 0.000 0.749 172 L CB 0.116 42.181 42.059 0.011 0.000 0.890 172 L HN 0.082 nan 8.230 nan 0.000 0.431 173 V N 1.018 120.926 119.914 -0.011 0.000 2.465 173 V HA 0.183 4.304 4.120 0.002 0.000 0.279 173 V C 0.914 176.999 176.094 -0.015 0.000 1.045 173 V CA -0.625 61.667 62.300 -0.013 0.000 0.938 173 V CB 1.268 33.076 31.823 -0.026 0.000 0.986 173 V HN 0.275 nan 8.190 nan 0.000 0.467 174 K N 2.168 122.561 120.400 -0.012 0.000 2.276 174 K HA 0.352 4.674 4.320 0.002 0.000 0.198 174 K C 0.265 176.859 176.600 -0.009 0.000 1.052 174 K CA 0.409 56.689 56.287 -0.012 0.000 0.984 174 K CB 0.574 33.067 32.500 -0.012 0.000 0.836 174 K HN 0.603 nan 8.250 nan 0.000 0.490 175 E N 0.272 120.467 120.200 -0.009 0.000 2.381 175 E HA 0.327 4.678 4.350 0.002 0.000 0.286 175 E C -1.065 175.531 176.600 -0.008 0.000 0.960 175 E CA -0.301 56.096 56.400 -0.005 0.000 0.793 175 E CB 1.935 31.632 29.700 -0.006 0.000 1.225 175 E HN -0.064 nan 8.360 nan 0.000 0.420 176 L N 1.699 122.922 121.223 0.000 0.000 2.344 176 L HA 0.419 4.761 4.340 0.002 0.000 0.272 176 L C 0.286 177.146 176.870 -0.017 0.000 1.035 176 L CA -0.881 53.953 54.840 -0.010 0.000 0.807 176 L CB 0.960 43.033 42.059 0.023 0.000 1.237 176 L HN 0.346 nan 8.230 nan 0.000 0.442 177 D N 0.838 121.211 120.400 -0.045 0.000 2.329 177 D HA 0.085 4.726 4.640 0.002 0.000 0.246 177 D C 0.786 177.067 176.300 -0.032 0.000 1.111 177 D CA -0.306 53.671 54.000 -0.038 0.000 0.941 177 D CB 1.441 42.211 40.800 -0.050 0.000 1.169 177 D HN 0.431 nan 8.370 nan 0.000 0.441 178 R N 0.788 121.281 120.500 -0.012 0.000 2.083 178 R HA -0.190 4.151 4.340 0.002 0.000 0.237 178 R C 0.679 176.979 176.300 0.000 0.000 1.137 178 R CA 1.825 57.929 56.100 0.006 0.000 0.951 178 R CB -0.049 30.257 30.300 0.010 0.000 0.851 178 R HN 0.502 nan 8.270 nan 0.000 0.434 179 D N -0.793 119.595 120.400 -0.021 0.000 2.325 179 D HA -0.008 4.633 4.640 0.002 0.000 0.234 179 D C -0.498 175.751 176.300 -0.086 0.000 1.122 179 D CA -0.039 53.946 54.000 -0.025 0.000 0.850 179 D CB 0.189 40.983 40.800 -0.012 0.000 0.921 179 D HN -0.120 nan 8.370 nan 0.000 0.513 180 T N 0.189 114.634 114.554 -0.182 0.000 2.867 180 T HA 0.197 4.548 4.350 0.002 0.000 0.297 180 T C 1.436 175.758 174.700 -0.630 0.000 0.989 180 T CA 0.143 61.992 62.100 -0.419 0.000 1.159 180 T CB 1.563 70.061 68.868 -0.617 0.000 0.928 180 T HN 0.217 nan 8.240 nan 0.000 0.538 181 V N 1.181 120.860 119.914 -0.393 0.000 3.539 181 V HA 0.553 4.674 4.120 0.002 0.000 0.262 181 V C 0.045 176.277 176.094 0.229 0.000 1.381 181 V CA -0.153 62.108 62.300 -0.065 0.000 1.060 181 V CB -0.083 31.794 31.823 0.090 0.000 0.842 181 V HN 0.752 nan 8.190 nan 0.000 0.445 182 F N 1.101 121.002 119.950 -0.081 0.000 2.607 182 F HA 0.812 5.341 4.527 0.002 0.000 0.322 182 F C -0.747 175.108 175.800 0.092 0.000 1.176 182 F CA -0.496 57.576 58.000 0.121 0.000 0.977 182 F CB 1.539 40.588 39.000 0.082 0.000 1.242 182 F HN 0.200 nan 8.300 nan 0.000 0.465 183 A N 6.092 129.112 122.820 0.333 0.000 2.371 183 A HA 0.752 5.074 4.320 0.002 0.000 0.311 183 A C -2.325 175.339 177.584 0.133 0.000 1.068 183 A CA -0.656 51.436 52.037 0.092 0.000 0.744 183 A CB 1.919 21.012 19.000 0.156 0.000 1.239 183 A HN 0.722 nan 8.150 nan 0.000 0.435 184 L N 2.760 123.971 121.223 -0.020 0.000 2.322 184 L HA 0.792 5.133 4.340 0.002 0.000 0.281 184 L C -1.213 175.771 176.870 0.191 0.000 1.014 184 L CA -0.392 54.481 54.840 0.057 0.000 0.815 184 L CB 1.914 43.875 42.059 -0.164 0.000 1.247 184 L HN 0.413 nan 8.230 nan 0.000 0.421 185 V N 5.775 125.875 119.914 0.310 0.000 2.443 185 V HA 0.494 4.615 4.120 0.002 0.000 0.293 185 V C -0.637 175.707 176.094 0.417 0.000 1.021 185 V CA -0.678 61.842 62.300 0.368 0.000 0.848 185 V CB 1.540 33.625 31.823 0.436 0.000 0.998 185 V HN 0.854 nan 8.190 nan 0.000 0.424 186 N N 4.761 123.695 118.700 0.389 0.000 2.354 186 N HA 0.527 5.268 4.740 0.002 0.000 0.287 186 N C -1.595 174.157 175.510 0.404 0.000 1.016 186 N CA -0.213 53.052 53.050 0.358 0.000 0.871 186 N CB 2.435 41.138 38.487 0.360 0.000 1.299 186 N HN 0.690 nan 8.380 nan 0.000 0.482 187 Y N 2.239 122.705 120.300 0.276 0.000 2.581 187 Y HA 0.776 5.327 4.550 0.002 0.000 0.345 187 Y C -1.357 174.682 175.900 0.233 0.000 1.036 187 Y CA -1.162 57.054 58.100 0.193 0.000 1.042 187 Y CB 1.397 39.955 38.460 0.163 0.000 1.289 187 Y HN 0.383 nan 8.280 nan 0.000 0.471 188 I N 2.917 123.722 120.570 0.391 0.000 2.743 188 I HA 0.569 4.740 4.170 0.002 0.000 0.292 188 I C -2.400 174.056 176.117 0.565 0.000 1.343 188 I CA -0.858 60.681 61.300 0.399 0.000 1.038 188 I CB 2.010 40.202 38.000 0.320 0.000 1.311 188 I HN 0.782 nan 8.210 nan 0.000 0.426 189 F N 8.089 128.280 119.950 0.401 0.000 2.551 189 F HA 0.745 5.274 4.527 0.003 0.000 0.316 189 F C -2.107 173.931 175.800 0.397 0.000 1.089 189 F CA -0.791 57.416 58.000 0.345 0.000 0.915 189 F CB 1.806 40.941 39.000 0.225 0.000 1.186 189 F HN 0.371 nan 8.300 nan 0.000 0.456 190 F N 5.315 124.697 119.950 -0.947 0.000 2.596 190 F HA 0.585 5.113 4.527 0.002 0.000 0.311 190 F C -1.777 173.501 175.800 -0.871 0.000 1.116 190 F CA -0.630 56.982 58.000 -0.647 0.000 0.957 190 F CB 1.521 40.442 39.000 -0.131 0.000 1.250 190 F HN 0.471 nan 8.300 nan 0.000 0.444 191 K N 3.851 123.582 120.400 -1.115 0.000 2.619 191 K HA 0.650 4.971 4.320 0.002 0.000 0.251 191 K C -1.108 174.931 176.600 -0.935 0.000 0.987 191 K CA -0.306 55.553 56.287 -0.715 0.000 0.844 191 K CB 1.553 33.832 32.500 -0.368 0.000 1.237 191 K HN 0.835 nan 8.250 nan 0.000 0.447 192 G N 2.458 110.766 108.800 -0.819 0.000 2.597 192 G HA2 0.606 4.567 3.960 0.002 0.000 0.317 192 G HA3 0.606 4.567 3.960 0.002 0.000 0.317 192 G C -1.194 173.509 174.900 -0.329 0.000 1.230 192 G CA -0.830 43.795 45.100 -0.792 0.000 0.996 192 G HN 0.437 nan 8.290 nan 0.000 0.490 193 K N -0.130 120.208 120.400 -0.102 0.000 2.376 193 K HA 0.249 4.570 4.320 0.002 0.000 0.257 193 K C -1.172 175.536 176.600 0.179 0.000 0.939 193 K CA -0.439 55.857 56.287 0.015 0.000 0.809 193 K CB 2.200 34.728 32.500 0.046 0.000 1.121 193 K HN 0.542 nan 8.250 nan 0.000 0.425 194 W N 1.991 123.449 121.300 0.263 0.000 2.158 194 W HA 0.014 4.676 4.660 0.003 0.000 0.339 194 W C 1.592 178.170 176.519 0.098 0.000 1.294 194 W CA -0.045 57.380 57.345 0.134 0.000 1.231 194 W CB 0.453 29.951 29.460 0.064 0.000 1.143 194 W HN 0.740 nan 8.180 nan 0.000 0.571 195 E N 1.343 121.752 120.200 0.348 0.000 2.274 195 E HA -0.124 4.228 4.350 0.002 0.000 0.194 195 E C 0.498 177.176 176.600 0.130 0.000 0.996 195 E CA 0.697 57.226 56.400 0.216 0.000 0.840 195 E CB 0.198 30.000 29.700 0.170 0.000 0.772 195 E HN 0.379 nan 8.360 nan 0.000 0.491 196 R N 1.264 121.768 120.500 0.007 0.000 2.575 196 R HA 0.266 4.607 4.340 0.002 0.000 0.292 196 R C -2.681 173.420 176.300 -0.333 0.000 1.246 196 R CA -1.948 53.931 56.100 -0.367 0.000 0.973 196 R CB 1.437 31.393 30.300 -0.573 0.000 1.187 196 R HN -0.022 nan 8.270 nan 0.000 0.478 197 P HA 0.023 nan 4.420 nan 0.000 0.271 197 P C -0.842 176.340 177.300 -0.197 0.000 1.244 197 P CA 0.103 63.216 63.100 0.023 0.000 0.793 197 P CB 0.633 32.446 31.700 0.189 0.000 0.984 198 F N -0.799 119.128 119.950 -0.040 0.000 2.425 198 F HA 0.268 4.796 4.527 0.003 0.000 0.331 198 F C 1.259 177.048 175.800 -0.019 0.000 1.085 198 F CA -0.586 57.364 58.000 -0.083 0.000 1.028 198 F CB 1.114 40.048 39.000 -0.110 0.000 1.177 198 F HN 0.200 nan 8.300 nan 0.000 0.487 199 E N 1.630 121.921 120.200 0.152 0.000 2.129 199 E HA 0.112 4.463 4.350 0.002 0.000 0.283 199 E C 0.701 177.354 176.600 0.088 0.000 1.080 199 E CA -0.237 56.223 56.400 0.099 0.000 0.867 199 E CB 1.325 31.058 29.700 0.056 0.000 1.056 199 E HN 0.491 nan 8.360 nan 0.000 0.404 200 V N 4.079 124.042 119.914 0.082 0.000 2.439 200 V HA -0.335 3.787 4.120 0.002 0.000 0.253 200 V C 1.762 177.873 176.094 0.029 0.000 1.074 200 V CA 1.815 64.146 62.300 0.052 0.000 1.076 200 V CB -0.441 31.412 31.823 0.049 0.000 0.664 200 V HN 0.554 nan 8.190 nan 0.000 0.461 201 K N 0.220 120.638 120.400 0.030 0.000 2.097 201 K HA -0.122 4.199 4.320 0.002 0.000 0.206 201 K C 1.658 178.263 176.600 0.007 0.000 1.049 201 K CA 1.339 57.636 56.287 0.017 0.000 0.933 201 K CB -0.484 32.027 32.500 0.019 0.000 0.717 201 K HN 0.470 nan 8.250 nan 0.000 0.442 202 D N 0.067 120.471 120.400 0.008 0.000 2.363 202 D HA -0.036 4.605 4.640 0.002 0.000 0.220 202 D C -0.204 176.076 176.300 -0.034 0.000 0.994 202 D CA 0.577 54.570 54.000 -0.012 0.000 0.890 202 D CB -0.094 40.700 40.800 -0.011 0.000 0.906 202 D HN 0.063 nan 8.370 nan 0.000 0.530 203 T N 2.197 116.733 114.554 -0.029 0.000 2.751 203 T HA 0.208 4.559 4.350 0.002 0.000 0.290 203 T C 0.428 175.107 174.700 -0.034 0.000 0.919 203 T CA -0.087 61.982 62.100 -0.052 0.000 1.136 203 T CB 0.374 69.211 68.868 -0.051 0.000 0.875 203 T HN 0.255 nan 8.240 nan 0.000 0.532 204 E N 1.942 122.122 120.200 -0.033 0.000 2.369 204 E HA 0.458 4.809 4.350 0.002 0.000 0.270 204 E C -0.828 175.770 176.600 -0.004 0.000 0.909 204 E CA -1.190 55.203 56.400 -0.012 0.000 0.775 204 E CB 1.396 31.095 29.700 -0.001 0.000 1.270 204 E HN 0.442 nan 8.360 nan 0.000 0.445 205 E N 1.322 121.523 120.200 0.002 0.000 2.265 205 E HA 0.066 4.417 4.350 0.002 0.000 0.272 205 E C -0.719 175.893 176.600 0.019 0.000 1.067 205 E CA 0.187 56.592 56.400 0.007 0.000 0.900 205 E CB 0.626 30.329 29.700 0.005 0.000 1.017 205 E HN 0.456 nan 8.360 nan 0.000 0.431 206 E N 3.038 123.254 120.200 0.026 0.000 2.428 206 E HA 0.270 4.622 4.350 0.002 0.000 0.259 206 E C -1.239 175.367 176.600 0.011 0.000 0.930 206 E CA -1.035 55.382 56.400 0.028 0.000 0.823 206 E CB 1.031 30.763 29.700 0.053 0.000 1.403 206 E HN 0.425 nan 8.360 nan 0.000 0.415 207 D N 0.417 120.795 120.400 -0.037 0.000 2.210 207 D HA 0.289 4.930 4.640 0.002 0.000 0.249 207 D C -1.437 174.717 176.300 -0.243 0.000 1.078 207 D CA -0.036 53.885 54.000 -0.132 0.000 0.875 207 D CB 0.552 41.239 40.800 -0.188 0.000 1.175 207 D HN 0.145 nan 8.370 nan 0.000 0.440 208 F N 2.052 121.816 119.950 -0.309 0.000 2.427 208 F HA 0.279 4.808 4.527 0.002 0.000 0.348 208 F C -0.348 175.302 175.800 -0.250 0.000 1.125 208 F CA -0.759 57.099 58.000 -0.237 0.000 0.989 208 F CB 0.735 39.702 39.000 -0.055 0.000 1.165 208 F HN 0.330 nan 8.300 nan 0.000 0.442 209 H N 5.509 124.413 119.070 -0.277 0.000 2.969 209 H HA 0.215 4.772 4.556 0.002 0.000 0.269 209 H C 1.077 176.329 175.328 -0.126 0.000 1.223 209 H CA -0.489 55.475 56.048 -0.140 0.000 1.400 209 H CB 0.925 30.601 29.762 -0.144 0.000 1.500 209 H HN 0.549 nan 8.280 nan 0.000 0.486 210 V N 2.283 122.307 119.914 0.183 0.000 2.343 210 V HA -0.208 3.914 4.120 0.002 0.000 0.247 210 V C 0.853 177.022 176.094 0.126 0.000 1.051 210 V CA 2.103 64.535 62.300 0.219 0.000 1.036 210 V CB -0.416 31.538 31.823 0.218 0.000 0.654 210 V HN 0.921 nan 8.190 nan 0.000 0.451 211 D N -4.083 116.380 120.400 0.105 0.000 2.970 211 D HA 0.168 4.809 4.640 0.002 0.000 0.344 211 D C 0.391 176.719 176.300 0.046 0.000 1.365 211 D CA -0.562 53.476 54.000 0.064 0.000 0.910 211 D CB 0.289 41.122 40.800 0.055 0.000 1.445 211 D HN -0.155 nan 8.370 nan 0.000 0.532 212 Q N -0.678 119.131 119.800 0.016 0.000 2.152 212 Q HA -0.017 4.325 4.340 0.002 0.000 0.206 212 Q C 1.779 177.783 176.000 0.006 0.000 0.985 212 Q CA 2.531 58.328 55.803 -0.009 0.000 0.863 212 Q CB -0.551 28.180 28.738 -0.012 0.000 0.904 212 Q HN 0.518 nan 8.270 nan 0.000 0.422 213 V N -5.214 114.717 119.914 0.028 0.000 3.556 213 V HA 0.303 4.424 4.120 0.002 0.000 0.287 213 V C 0.254 176.383 176.094 0.057 0.000 1.422 213 V CA -0.174 62.147 62.300 0.035 0.000 1.038 213 V CB 0.521 32.360 31.823 0.026 0.000 0.850 213 V HN 0.029 nan 8.190 nan 0.000 0.437 214 T N 2.065 116.665 114.554 0.076 0.000 2.771 214 T HA 0.613 4.964 4.350 0.002 0.000 0.281 214 T C -0.146 174.632 174.700 0.130 0.000 0.982 214 T CA 0.069 62.224 62.100 0.091 0.000 0.978 214 T CB 1.494 70.415 68.868 0.089 0.000 0.930 214 T HN 0.420 nan 8.240 nan 0.000 0.447 215 T N 2.614 117.239 114.554 0.119 0.000 2.876 215 T HA 0.612 4.963 4.350 0.002 0.000 0.289 215 T C -0.613 174.148 174.700 0.102 0.000 1.014 215 T CA -0.564 61.611 62.100 0.126 0.000 0.986 215 T CB 1.559 70.500 68.868 0.121 0.000 1.021 215 T HN 0.347 nan 8.240 nan 0.000 0.458 216 V N 3.834 123.820 119.914 0.120 0.000 2.588 216 V HA 0.454 4.575 4.120 0.002 0.000 0.304 216 V C -0.401 175.735 176.094 0.071 0.000 1.042 216 V CA -1.113 61.242 62.300 0.092 0.000 0.877 216 V CB 2.029 33.907 31.823 0.092 0.000 0.996 216 V HN 0.650 nan 8.190 nan 0.000 0.425 217 K N 3.987 124.408 120.400 0.035 0.000 2.276 217 K HA 0.623 4.945 4.320 0.002 0.000 0.283 217 K C -0.420 176.185 176.600 0.008 0.000 1.044 217 K CA -0.050 56.251 56.287 0.022 0.000 0.944 217 K CB 1.544 34.052 32.500 0.014 0.000 1.012 217 K HN 0.713 nan 8.250 nan 0.000 0.472 218 V N 0.164 120.085 119.914 0.013 0.000 3.087 218 V HA 0.566 4.688 4.120 0.002 0.000 0.306 218 V C -2.928 173.162 176.094 -0.007 0.000 1.187 218 V CA -2.675 59.618 62.300 -0.011 0.000 0.999 218 V CB 2.190 33.996 31.823 -0.028 0.000 1.049 218 V HN 0.409 nan 8.190 nan 0.000 0.431 219 P HA 0.449 nan 4.420 nan 0.000 0.282 219 P C -0.734 176.535 177.300 -0.051 0.000 1.274 219 P CA -0.040 63.038 63.100 -0.036 0.000 0.770 219 P CB 0.437 32.108 31.700 -0.047 0.000 0.867 220 M N 4.250 123.824 119.600 -0.044 0.000 2.101 220 M HA 0.364 4.846 4.480 0.002 0.000 0.340 220 M C 0.030 176.241 176.300 -0.148 0.000 1.057 220 M CA -0.307 54.954 55.300 -0.064 0.000 0.984 220 M CB 1.028 33.647 32.600 0.031 0.000 1.560 220 M HN 0.311 nan 8.290 nan 0.000 0.435 221 M N 3.778 123.213 119.600 -0.276 0.000 2.247 221 M HA 0.423 4.905 4.480 0.002 0.000 0.326 221 M C -0.031 176.070 176.300 -0.331 0.000 1.134 221 M CA 0.124 55.190 55.300 -0.389 0.000 1.136 221 M CB 0.805 32.879 32.600 -0.877 0.000 1.454 221 M HN 0.478 nan 8.290 nan 0.000 0.467 222 K N 0.826 121.140 120.400 -0.142 0.000 2.578 222 K HA 0.765 5.086 4.320 0.002 0.000 0.269 222 K C -1.550 175.088 176.600 0.065 0.000 0.941 222 K CA -1.144 55.057 56.287 -0.142 0.000 0.847 222 K CB 2.415 34.587 32.500 -0.547 0.000 1.397 222 K HN 0.747 nan 8.250 nan 0.000 0.422 223 R N 1.776 122.303 120.500 0.044 0.000 2.561 223 R HA 0.383 4.724 4.340 0.002 0.000 0.266 223 R C -2.040 174.307 176.300 0.079 0.000 1.091 223 R CA -0.910 55.202 56.100 0.021 0.000 0.927 223 R CB 1.591 31.831 30.300 -0.099 0.000 1.240 223 R HN 0.689 nan 8.270 nan 0.000 0.449 224 L N 3.811 125.039 121.223 0.008 0.000 2.272 224 L HA 0.865 5.206 4.340 0.002 0.000 0.289 224 L C -0.373 176.438 176.870 -0.099 0.000 1.032 224 L CA 0.598 55.448 54.840 0.016 0.000 0.810 224 L CB 1.284 43.335 42.059 -0.013 0.000 1.205 224 L HN 0.834 nan 8.230 nan 0.000 0.422 225 G N 4.456 113.150 108.800 -0.177 0.000 2.500 225 G HA2 0.329 4.291 3.960 0.002 0.000 0.299 225 G HA3 0.329 4.291 3.960 0.002 0.000 0.299 225 G C -1.522 173.021 174.900 -0.595 0.000 1.242 225 G CA -0.919 43.901 45.100 -0.466 0.000 0.859 225 G HN 0.340 nan 8.290 nan 0.000 0.481 226 M N 0.583 119.762 119.600 -0.701 0.000 2.238 226 M HA 0.641 5.123 4.480 0.002 0.000 0.350 226 M C -1.480 174.381 176.300 -0.732 0.000 1.138 226 M CA -0.166 54.843 55.300 -0.484 0.000 1.040 226 M CB 0.578 33.009 32.600 -0.281 0.000 1.639 226 M HN 0.346 nan 8.290 nan 0.000 0.451 227 F N 0.980 120.872 119.950 -0.097 0.000 2.599 227 F HA 0.336 4.864 4.527 0.002 0.000 0.311 227 F C 0.684 176.459 175.800 -0.042 0.000 1.076 227 F CA -1.089 56.850 58.000 -0.102 0.000 0.937 227 F CB 1.147 40.069 39.000 -0.130 0.000 1.282 227 F HN 0.485 nan 8.300 nan 0.000 0.460 228 N N 3.280 122.086 118.700 0.177 0.000 2.466 228 N HA 0.239 4.981 4.740 0.002 0.000 0.263 228 N C -1.304 174.292 175.510 0.143 0.000 1.178 228 N CA 0.371 53.499 53.050 0.130 0.000 0.983 228 N CB -0.045 38.503 38.487 0.102 0.000 1.331 228 N HN 0.698 nan 8.380 nan 0.000 0.500 229 I N 2.179 122.851 120.570 0.170 0.000 2.686 229 I HA 0.319 4.490 4.170 0.002 0.000 0.295 229 I C -1.457 174.827 176.117 0.278 0.000 1.114 229 I CA -0.614 60.802 61.300 0.193 0.000 1.038 229 I CB 1.705 39.794 38.000 0.149 0.000 1.238 229 I HN 0.474 nan 8.210 nan 0.000 0.420 230 Q N 4.604 124.603 119.800 0.331 0.000 2.435 230 Q HA 0.368 4.710 4.340 0.002 0.000 0.282 230 Q C -1.686 174.463 176.000 0.248 0.000 1.020 230 Q CA -0.986 55.004 55.803 0.312 0.000 0.820 230 Q CB 1.975 30.849 28.738 0.227 0.000 1.436 230 Q HN 0.684 nan 8.270 nan 0.000 0.395 231 H N 0.655 119.658 119.070 -0.112 0.000 2.685 231 H HA 0.351 4.909 4.556 0.002 0.000 0.286 231 H C -1.159 174.061 175.328 -0.181 0.000 1.102 231 H CA -0.486 55.278 56.048 -0.473 0.000 1.254 231 H CB 0.754 29.887 29.762 -1.049 0.000 1.397 231 H HN 0.777 nan 8.280 nan 0.000 0.473 232 C N 6.398 125.541 119.300 -0.261 0.000 2.482 232 C HA 0.159 4.620 4.460 0.002 0.000 0.378 232 C C 1.412 176.307 174.990 -0.158 0.000 1.284 232 C CA -0.404 58.582 59.018 -0.054 0.000 1.826 232 C CB -0.714 27.151 27.740 0.208 0.000 2.473 232 C HN 0.983 nan 8.230 nan 0.000 0.562 233 K N 3.376 123.744 120.400 -0.053 0.000 2.217 233 K HA -0.120 4.202 4.320 0.002 0.000 0.202 233 K C 1.983 178.590 176.600 0.011 0.000 1.051 233 K CA 1.023 57.292 56.287 -0.030 0.000 0.952 233 K CB 0.087 32.591 32.500 0.007 0.000 0.736 233 K HN 0.721 nan 8.250 nan 0.000 0.453 234 K N 1.529 121.957 120.400 0.047 0.000 2.026 234 K HA -0.076 4.245 4.320 0.002 0.000 0.208 234 K C 1.778 178.492 176.600 0.189 0.000 1.048 234 K CA 1.023 57.368 56.287 0.096 0.000 0.929 234 K CB 0.077 32.615 32.500 0.063 0.000 0.713 234 K HN 0.058 nan 8.250 nan 0.000 0.439 235 L N 0.535 121.837 121.223 0.132 0.000 2.558 235 L HA 0.093 4.434 4.340 0.002 0.000 0.225 235 L C 0.304 177.261 176.870 0.145 0.000 1.128 235 L CA -0.033 54.883 54.840 0.127 0.000 0.868 235 L CB 0.125 42.250 42.059 0.109 0.000 1.006 235 L HN 0.097 nan 8.230 nan 0.000 0.454 236 S N 0.366 116.080 115.700 0.024 0.000 3.682 236 S HA -0.153 4.318 4.470 0.002 0.000 0.354 236 S C 0.082 174.608 174.600 -0.123 0.000 1.034 236 S CA 0.635 58.801 58.200 -0.057 0.000 1.084 236 S CB -1.159 62.055 63.200 0.022 0.000 0.903 236 S HN 0.566 nan 8.310 nan 0.000 0.470 237 S N -1.294 114.227 115.700 -0.299 0.000 2.570 237 S HA 0.585 5.056 4.470 0.002 0.000 0.270 237 S C -0.913 173.477 174.600 -0.349 0.000 1.149 237 S CA -0.999 57.088 58.200 -0.188 0.000 0.837 237 S CB 0.894 64.150 63.200 0.094 0.000 1.124 237 S HN 0.428 nan 8.310 nan 0.000 0.465 238 W N 1.515 122.772 121.300 -0.071 0.000 2.287 238 W HA 0.544 5.205 4.660 0.001 0.000 0.313 238 W C -0.608 175.877 176.519 -0.057 0.000 1.267 238 W CA -0.309 57.031 57.345 -0.008 0.000 1.201 238 W CB 0.835 30.295 29.460 0.000 0.000 1.196 238 W HN 0.290 nan 8.180 nan 0.000 0.536 239 V N 6.296 126.297 119.914 0.145 0.000 2.378 239 V HA 0.325 4.447 4.120 0.002 0.000 0.288 239 V C -0.726 175.317 176.094 -0.086 0.000 1.016 239 V CA -0.961 61.215 62.300 -0.208 0.000 0.840 239 V CB 0.972 32.453 31.823 -0.569 0.000 0.994 239 V HN 0.294 nan 8.190 nan 0.000 0.431 240 L N 6.876 128.041 121.223 -0.097 0.000 2.333 240 L HA 0.763 5.105 4.340 0.002 0.000 0.280 240 L C -1.147 175.712 176.870 -0.019 0.000 1.004 240 L CA -0.186 54.646 54.840 -0.012 0.000 0.820 240 L CB 1.542 43.618 42.059 0.027 0.000 1.247 240 L HN 0.477 nan 8.230 nan 0.000 0.416 241 L N 6.022 127.251 121.223 0.010 0.000 2.322 241 L HA 0.668 5.010 4.340 0.002 0.000 0.281 241 L C -0.431 176.482 176.870 0.072 0.000 1.014 241 L CA 0.029 54.894 54.840 0.041 0.000 0.815 241 L CB 1.818 43.907 42.059 0.050 0.000 1.247 241 L HN 0.636 nan 8.230 nan 0.000 0.421 242 M N 3.132 122.797 119.600 0.108 0.000 2.326 242 M HA 0.440 4.922 4.480 0.002 0.000 0.292 242 M C -1.016 175.386 176.300 0.169 0.000 1.081 242 M CA -0.786 54.567 55.300 0.088 0.000 0.919 242 M CB 2.535 35.104 32.600 -0.051 0.000 1.634 242 M HN 0.435 nan 8.290 nan 0.000 0.451 243 K N 2.249 122.746 120.400 0.162 0.000 2.156 243 K HA 0.542 4.863 4.320 0.002 0.000 0.271 243 K C -1.385 175.374 176.600 0.265 0.000 0.995 243 K CA -0.433 55.973 56.287 0.198 0.000 0.890 243 K CB 1.314 33.910 32.500 0.161 0.000 1.073 243 K HN 0.473 nan 8.250 nan 0.000 0.454 244 Y N 1.098 121.563 120.300 0.276 0.000 2.432 244 Y HA 0.258 4.809 4.550 0.003 0.000 0.322 244 Y C 0.465 176.455 175.900 0.150 0.000 1.246 244 Y CA -1.077 57.134 58.100 0.185 0.000 1.268 244 Y CB 1.036 39.563 38.460 0.112 0.000 1.276 244 Y HN 0.255 nan 8.280 nan 0.000 0.499 245 L N 1.469 122.876 121.223 0.306 0.000 2.360 245 L HA 0.335 4.676 4.340 0.002 0.000 0.276 245 L C 0.714 177.676 176.870 0.154 0.000 1.121 245 L CA 0.479 55.433 54.840 0.191 0.000 0.845 245 L CB 0.490 42.636 42.059 0.144 0.000 1.143 245 L HN 1.036 nan 8.230 nan 0.000 0.452 246 G N 2.325 111.205 108.800 0.134 0.000 2.151 246 G HA2 -0.218 3.744 3.960 0.002 0.000 0.140 246 G HA3 -0.218 3.744 3.960 0.002 0.000 0.140 246 G C 0.241 175.216 174.900 0.125 0.000 1.020 246 G CA -0.291 44.873 45.100 0.107 0.000 0.688 246 G HN 0.703 nan 8.290 nan 0.000 0.500 247 N N -1.494 117.290 118.700 0.140 0.000 2.740 247 N HA -0.014 4.727 4.740 0.002 0.000 0.248 247 N C 0.164 175.765 175.510 0.151 0.000 1.062 247 N CA 1.637 54.767 53.050 0.132 0.000 0.704 247 N CB -1.306 37.240 38.487 0.098 0.000 0.968 247 N HN 1.883 nan 8.380 nan 0.000 0.547 248 A N -0.450 122.502 122.820 0.220 0.000 2.330 248 A HA 0.759 5.080 4.320 0.002 0.000 0.313 248 A C 0.051 177.824 177.584 0.315 0.000 1.124 248 A CA -0.367 51.818 52.037 0.247 0.000 0.774 248 A CB 1.301 20.483 19.000 0.303 0.000 1.198 248 A HN 0.079 nan 8.150 nan 0.000 0.465 249 T N 2.091 116.781 114.554 0.226 0.000 2.792 249 T HA 0.614 4.965 4.350 0.002 0.000 0.280 249 T C 0.126 174.926 174.700 0.166 0.000 0.990 249 T CA 0.012 62.231 62.100 0.199 0.000 0.960 249 T CB 1.392 70.345 68.868 0.142 0.000 0.939 249 T HN 1.073 nan 8.240 nan 0.000 0.439 250 A N 4.002 126.915 122.820 0.155 0.000 2.309 250 A HA 0.770 5.092 4.320 0.002 0.000 0.298 250 A C -0.258 177.257 177.584 -0.115 0.000 1.165 250 A CA -0.592 51.455 52.037 0.018 0.000 0.821 250 A CB 0.044 19.103 19.000 0.099 0.000 1.102 250 A HN 0.878 nan 8.150 nan 0.000 0.500 251 I N 2.506 122.909 120.570 -0.278 0.000 2.439 251 I HA 0.351 4.523 4.170 0.002 0.000 0.285 251 I C -1.286 174.550 176.117 -0.467 0.000 1.021 251 I CA -0.087 61.036 61.300 -0.294 0.000 1.091 251 I CB 1.265 39.164 38.000 -0.167 0.000 1.242 251 I HN 0.533 nan 8.210 nan 0.000 0.439 252 F N 5.507 125.307 119.950 -0.250 0.000 2.450 252 F HA 0.580 5.108 4.527 0.002 0.000 0.332 252 F C -0.392 175.283 175.800 -0.209 0.000 1.093 252 F CA -0.599 57.339 58.000 -0.104 0.000 1.003 252 F CB 1.410 40.184 39.000 -0.376 0.000 1.151 252 F HN 0.156 nan 8.300 nan 0.000 0.474 253 F N 3.346 123.597 119.950 0.501 0.000 2.507 253 F HA 0.468 4.996 4.527 0.002 0.000 0.328 253 F C -0.744 175.339 175.800 0.472 0.000 1.136 253 F CA -0.827 57.389 58.000 0.361 0.000 0.930 253 F CB 1.652 40.767 39.000 0.191 0.000 1.166 253 F HN 0.153 nan 8.300 nan 0.000 0.436 254 L N 7.537 129.026 121.223 0.442 0.000 2.283 254 L HA 0.576 4.917 4.340 0.002 0.000 0.281 254 L C -2.421 174.576 176.870 0.212 0.000 1.033 254 L CA -2.471 52.482 54.840 0.188 0.000 0.848 254 L CB 0.652 42.486 42.059 -0.374 0.000 1.226 254 L HN 0.186 nan 8.230 nan 0.000 0.429 255 P HA 0.104 nan 4.420 nan 0.000 0.271 255 P C -0.794 176.578 177.300 0.120 0.000 1.216 255 P CA -0.238 62.957 63.100 0.157 0.000 0.776 255 P CB 0.902 32.699 31.700 0.162 0.000 0.881 256 D N 1.000 121.456 120.400 0.094 0.000 2.368 256 D HA 0.005 4.646 4.640 0.002 0.000 0.240 256 D C 0.601 176.937 176.300 0.060 0.000 1.169 256 D CA 0.053 54.103 54.000 0.084 0.000 0.906 256 D CB 0.251 41.091 40.800 0.067 0.000 1.187 256 D HN 0.449 nan 8.370 nan 0.000 0.435 257 E N 0.012 120.237 120.200 0.042 0.000 2.820 257 E HA 0.015 4.367 4.350 0.002 0.000 0.251 257 E C 0.802 177.414 176.600 0.021 0.000 0.944 257 E CA 0.655 57.069 56.400 0.024 0.000 0.955 257 E CB -0.172 29.532 29.700 0.006 0.000 0.904 257 E HN 0.656 nan 8.360 nan 0.000 0.513 258 G N 4.634 113.450 108.800 0.026 0.000 2.168 258 G HA2 -0.276 3.686 3.960 0.002 0.000 0.257 258 G HA3 -0.276 3.686 3.960 0.002 0.000 0.257 258 G C 0.594 175.516 174.900 0.036 0.000 0.997 258 G CA 0.482 45.597 45.100 0.025 0.000 0.708 258 G HN 0.526 nan 8.290 nan 0.000 0.520 259 K N -0.567 119.866 120.400 0.055 0.000 2.414 259 K HA 0.370 4.691 4.320 0.002 0.000 0.204 259 K C 2.001 178.670 176.600 0.115 0.000 1.026 259 K CA -0.143 56.194 56.287 0.084 0.000 1.108 259 K CB 0.211 32.757 32.500 0.075 0.000 0.855 259 K HN 0.385 nan 8.250 nan 0.000 0.517 260 L N 1.523 122.805 121.223 0.098 0.000 2.012 260 L HA -0.190 4.152 4.340 0.002 0.000 0.210 260 L C 2.033 178.958 176.870 0.092 0.000 1.073 260 L CA 1.983 56.887 54.840 0.107 0.000 0.748 260 L CB -0.133 41.990 42.059 0.106 0.000 0.891 260 L HN 0.201 nan 8.230 nan 0.000 0.431 261 Q N -1.430 118.418 119.800 0.079 0.000 2.124 261 Q HA -0.276 4.065 4.340 0.002 0.000 0.202 261 Q C 2.201 178.242 176.000 0.067 0.000 0.977 261 Q CA 1.849 57.688 55.803 0.061 0.000 0.850 261 Q CB -0.344 28.418 28.738 0.040 0.000 0.901 261 Q HN 0.709 nan 8.270 nan 0.000 0.429 262 H N 0.780 119.853 119.070 0.005 0.000 2.353 262 H HA -0.137 4.421 4.556 0.002 0.000 0.300 262 H C 1.899 177.212 175.328 -0.026 0.000 1.090 262 H CA 1.484 57.528 56.048 -0.008 0.000 1.327 262 H CB -0.180 29.577 29.762 -0.008 0.000 1.383 262 H HN 0.156 nan 8.280 nan 0.000 0.508 263 L N 0.917 122.101 121.223 -0.065 0.000 2.017 263 L HA -0.121 4.220 4.340 0.002 0.000 0.208 263 L C 1.974 178.717 176.870 -0.211 0.000 1.073 263 L CA 1.991 56.740 54.840 -0.152 0.000 0.745 263 L CB -0.740 41.298 42.059 -0.035 0.000 0.894 263 L HN 0.399 nan 8.230 nan 0.000 0.432 264 E N -0.425 119.723 120.200 -0.087 0.000 2.110 264 E HA -0.214 4.137 4.350 0.002 0.000 0.193 264 E C 1.893 178.458 176.600 -0.058 0.000 0.988 264 E CA 1.557 57.946 56.400 -0.018 0.000 0.804 264 E CB -0.230 29.567 29.700 0.162 0.000 0.745 264 E HN 0.692 nan 8.360 nan 0.000 0.458 265 N N 0.129 118.778 118.700 -0.085 0.000 2.409 265 N HA -0.082 4.659 4.740 0.002 0.000 0.179 265 N C 1.271 176.668 175.510 -0.189 0.000 1.032 265 N CA 0.337 53.334 53.050 -0.089 0.000 0.898 265 N CB 0.285 38.743 38.487 -0.048 0.000 0.971 265 N HN 0.048 nan 8.380 nan 0.000 0.441 266 E N 0.517 120.534 120.200 -0.305 0.000 2.474 266 E HA 0.097 4.448 4.350 0.002 0.000 0.194 266 E C 0.120 176.514 176.600 -0.345 0.000 1.041 266 E CA 0.006 56.211 56.400 -0.325 0.000 0.874 266 E CB 0.393 29.830 29.700 -0.438 0.000 0.914 266 E HN 0.376 nan 8.360 nan 0.000 0.498 267 L N 2.295 123.237 121.223 -0.469 0.000 2.462 267 L HA 0.072 4.414 4.340 0.002 0.000 0.272 267 L C 0.701 177.002 176.870 -0.948 0.000 1.166 267 L CA 0.303 54.712 54.840 -0.717 0.000 0.880 267 L CB 0.318 41.802 42.059 -0.959 0.000 1.142 267 L HN 0.004 nan 8.230 nan 0.000 0.473 268 T N -2.479 111.672 114.554 -0.670 0.000 2.864 268 T HA 0.189 4.541 4.350 0.002 0.000 0.299 268 T C 0.774 175.492 174.700 0.031 0.000 1.166 268 T CA -0.709 61.184 62.100 -0.345 0.000 1.007 268 T CB 1.364 70.152 68.868 -0.134 0.000 1.219 268 T HN 0.676 nan 8.240 nan 0.000 0.506 269 H N 0.678 119.905 119.070 0.262 0.000 2.423 269 H HA -0.072 4.486 4.556 0.003 0.000 0.297 269 H C 0.717 176.125 175.328 0.134 0.000 1.075 269 H CA 1.772 57.993 56.048 0.288 0.000 1.342 269 H CB -0.179 29.710 29.762 0.211 0.000 1.395 269 H HN 0.643 nan 8.280 nan 0.000 0.530 270 D N 1.252 121.363 120.400 -0.483 0.000 2.117 270 D HA -0.098 4.544 4.640 0.002 0.000 0.197 270 D C 2.484 178.638 176.300 -0.244 0.000 0.987 270 D CA 1.232 54.951 54.000 -0.468 0.000 0.829 270 D CB -0.010 40.628 40.800 -0.269 0.000 0.961 270 D HN 0.514 nan 8.370 nan 0.000 0.460 271 I N 0.329 120.806 120.570 -0.155 0.000 2.315 271 I HA -0.214 3.958 4.170 0.002 0.000 0.248 271 I C 2.115 178.202 176.117 -0.051 0.000 1.117 271 I CA 0.389 61.596 61.300 -0.155 0.000 1.404 271 I CB -0.073 37.888 38.000 -0.064 0.000 1.071 271 I HN -0.085 nan 8.210 nan 0.000 0.419 272 I N 0.935 121.598 120.570 0.155 0.000 2.226 272 I HA -0.239 3.933 4.170 0.002 0.000 0.245 272 I C 2.571 178.800 176.117 0.186 0.000 1.100 272 I CA 1.748 63.249 61.300 0.335 0.000 1.374 272 I CB -0.912 37.303 38.000 0.359 0.000 1.057 272 I HN 0.156 nan 8.210 nan 0.000 0.413 273 T N 0.496 115.082 114.554 0.053 0.000 2.803 273 T HA -0.210 4.142 4.350 0.002 0.000 0.269 273 T C 1.928 176.619 174.700 -0.014 0.000 1.052 273 T CA 1.281 63.393 62.100 0.019 0.000 1.136 273 T CB -0.157 68.676 68.868 -0.058 0.000 0.864 273 T HN 0.353 nan 8.240 nan 0.000 0.467 274 K N 0.224 120.555 120.400 -0.115 0.000 2.007 274 K HA 0.017 4.339 4.320 0.002 0.000 0.206 274 K C 2.009 178.522 176.600 -0.146 0.000 1.047 274 K CA 1.080 57.252 56.287 -0.193 0.000 0.937 274 K CB -0.381 31.896 32.500 -0.370 0.000 0.718 274 K HN 0.280 nan 8.250 nan 0.000 0.438 275 F N 1.696 121.680 119.950 0.056 0.000 2.192 275 F HA -0.157 4.371 4.527 0.002 0.000 0.301 275 F C 2.029 177.863 175.800 0.056 0.000 1.079 275 F CA 1.075 59.112 58.000 0.062 0.000 1.303 275 F CB -0.651 38.396 39.000 0.079 0.000 1.024 275 F HN -0.055 nan 8.300 nan 0.000 0.494 276 L N -0.522 120.830 121.223 0.214 0.000 2.551 276 L HA -0.117 4.224 4.340 0.002 0.000 0.228 276 L C 1.858 178.790 176.870 0.103 0.000 1.153 276 L CA 0.873 55.803 54.840 0.150 0.000 0.851 276 L CB -0.517 41.622 42.059 0.133 0.000 0.959 276 L HN 0.208 nan 8.230 nan 0.000 0.451 277 E N -0.621 119.625 120.200 0.077 0.000 2.340 277 E HA -0.025 4.326 4.350 0.002 0.000 0.194 277 E C 0.775 177.412 176.600 0.061 0.000 0.996 277 E CA -0.238 56.193 56.400 0.052 0.000 0.869 277 E CB 0.167 29.878 29.700 0.018 0.000 0.835 277 E HN 0.340 nan 8.360 nan 0.000 0.493 278 N N 1.909 120.661 118.700 0.086 0.000 2.468 278 N HA -0.074 4.668 4.740 0.002 0.000 0.265 278 N C 0.071 175.636 175.510 0.090 0.000 1.199 278 N CA 0.757 53.864 53.050 0.095 0.000 0.928 278 N CB 0.674 39.245 38.487 0.140 0.000 1.059 278 N HN 0.119 nan 8.380 nan 0.000 0.467 279 E N 1.273 121.516 120.200 0.072 0.000 2.676 279 E HA 0.020 4.371 4.350 0.002 0.000 0.222 279 E C -0.771 175.863 176.600 0.056 0.000 0.968 279 E CA -0.269 56.169 56.400 0.063 0.000 1.090 279 E CB 0.396 30.127 29.700 0.052 0.000 1.066 279 E HN 0.693 nan 8.360 nan 0.000 0.496 280 D N 1.057 121.494 120.400 0.062 0.000 2.302 280 D HA 0.149 4.790 4.640 0.002 0.000 0.248 280 D C 0.276 176.614 176.300 0.062 0.000 1.094 280 D CA -0.338 53.695 54.000 0.055 0.000 0.897 280 D CB 0.984 41.818 40.800 0.058 0.000 1.200 280 D HN -0.242 nan 8.370 nan 0.000 0.429 281 R N 1.702 122.227 120.500 0.043 0.000 2.691 281 R HA 0.711 5.053 4.340 0.002 0.000 0.259 281 R C -0.079 176.248 176.300 0.045 0.000 1.048 281 R CA -0.940 55.182 56.100 0.038 0.000 1.086 281 R CB 1.357 31.651 30.300 -0.010 0.000 1.166 281 R HN 0.639 nan 8.270 nan 0.000 0.526 282 R N -0.293 120.239 120.500 0.053 0.000 2.680 282 R HA 0.198 4.539 4.340 0.002 0.000 0.269 282 R C -1.103 175.224 176.300 0.044 0.000 1.026 282 R CA -0.392 55.745 56.100 0.063 0.000 0.889 282 R CB 1.931 32.301 30.300 0.118 0.000 1.241 282 R HN 0.864 nan 8.270 nan 0.000 0.463 283 S N 1.724 117.440 115.700 0.026 0.000 2.489 283 S HA 0.783 5.254 4.470 0.002 0.000 0.277 283 S C -0.509 174.127 174.600 0.059 0.000 1.230 283 S CA -0.303 57.900 58.200 0.006 0.000 1.053 283 S CB 1.639 64.827 63.200 -0.020 0.000 0.955 283 S HN 0.729 nan 8.310 nan 0.000 0.488 284 A N 2.114 125.013 122.820 0.132 0.000 2.606 284 A HA 0.771 5.092 4.320 0.002 0.000 0.293 284 A C -0.410 177.255 177.584 0.135 0.000 1.082 284 A CA -0.768 51.322 52.037 0.089 0.000 0.685 284 A CB 1.426 20.430 19.000 0.006 0.000 1.284 284 A HN 1.057 nan 8.150 nan 0.000 0.408 285 S N 1.200 116.909 115.700 0.014 0.000 2.422 285 S HA 0.573 5.045 4.470 0.002 0.000 0.298 285 S C -0.599 173.993 174.600 -0.013 0.000 1.118 285 S CA -0.479 57.746 58.200 0.042 0.000 1.083 285 S CB -0.013 63.219 63.200 0.054 0.000 0.971 285 S HN 0.752 nan 8.310 nan 0.000 0.478 286 L N 6.648 127.839 121.223 -0.054 0.000 2.322 286 L HA 0.547 4.889 4.340 0.002 0.000 0.281 286 L C -0.994 175.839 176.870 -0.061 0.000 1.014 286 L CA -0.520 54.214 54.840 -0.176 0.000 0.815 286 L CB 1.297 42.996 42.059 -0.599 0.000 1.247 286 L HN 0.804 nan 8.230 nan 0.000 0.421 287 H N 5.953 124.942 119.070 -0.135 0.000 2.708 287 H HA 0.347 4.904 4.556 0.002 0.000 0.320 287 H C -1.186 174.067 175.328 -0.125 0.000 0.991 287 H CA -0.689 55.296 56.048 -0.105 0.000 1.243 287 H CB 2.576 32.294 29.762 -0.074 0.000 1.446 287 H HN 0.337 nan 8.280 nan 0.000 0.502 288 L N 6.928 128.025 121.223 -0.211 0.000 2.381 288 L HA 0.406 4.748 4.340 0.002 0.000 0.274 288 L C -2.501 174.175 176.870 -0.322 0.000 0.988 288 L CA -2.039 52.563 54.840 -0.397 0.000 0.824 288 L CB 1.869 43.494 42.059 -0.724 0.000 1.263 288 L HN 0.369 nan 8.230 nan 0.000 0.410 289 P HA 0.055 nan 4.420 nan 0.000 0.269 289 P C -1.392 175.811 177.300 -0.162 0.000 1.209 289 P CA -0.300 62.745 63.100 -0.092 0.000 0.776 289 P CB 0.689 32.418 31.700 0.048 0.000 0.876 290 K N 3.945 124.261 120.400 -0.139 0.000 2.227 290 K HA 0.540 4.861 4.320 0.002 0.000 0.280 290 K C -0.222 176.322 176.600 -0.093 0.000 1.041 290 K CA -0.602 55.611 56.287 -0.123 0.000 0.905 290 K CB 0.121 32.555 32.500 -0.110 0.000 1.068 290 K HN 0.584 nan 8.250 nan 0.000 0.470 291 L N -0.579 120.593 121.223 -0.084 0.000 3.041 291 L HA 0.563 4.904 4.340 0.002 0.000 0.278 291 L C -1.538 175.274 176.870 -0.097 0.000 1.051 291 L CA -1.038 53.747 54.840 -0.092 0.000 0.957 291 L CB 1.698 43.691 42.059 -0.111 0.000 1.538 291 L HN 0.546 nan 8.230 nan 0.000 0.393 292 S N 0.942 116.579 115.700 -0.104 0.000 2.677 292 S HA 0.829 5.300 4.470 0.002 0.000 0.283 292 S C -1.074 173.445 174.600 -0.135 0.000 1.159 292 S CA -0.470 57.664 58.200 -0.110 0.000 1.001 292 S CB 1.108 64.278 63.200 -0.050 0.000 1.032 292 S HN 0.719 nan 8.310 nan 0.000 0.487 293 I N 1.872 122.306 120.570 -0.227 0.000 2.892 293 I HA 0.894 5.065 4.170 0.002 0.000 0.306 293 I C -0.178 175.826 176.117 -0.189 0.000 1.078 293 I CA -0.712 60.454 61.300 -0.222 0.000 1.032 293 I CB 1.803 39.624 38.000 -0.298 0.000 1.229 293 I HN 0.596 nan 8.210 nan 0.000 0.435 294 T N -0.057 114.501 114.554 0.006 0.000 2.933 294 T HA 0.869 5.221 4.350 0.002 0.000 0.305 294 T C -0.391 174.477 174.700 0.280 0.000 1.092 294 T CA -0.571 61.645 62.100 0.194 0.000 1.008 294 T CB 1.381 70.322 68.868 0.122 0.000 1.102 294 T HN 1.164 nan 8.240 nan 0.000 0.469 295 G N 0.738 109.793 108.800 0.425 0.000 2.461 295 G HA2 0.618 4.579 3.960 0.002 0.000 0.323 295 G HA3 0.618 4.579 3.960 0.002 0.000 0.323 295 G C -0.997 173.920 174.900 0.029 0.000 1.229 295 G CA -0.828 44.434 45.100 0.269 0.000 0.941 295 G HN 0.859 nan 8.290 nan 0.000 0.477 296 T N 1.629 115.959 114.554 -0.374 0.000 2.949 296 T HA 0.498 4.849 4.350 0.002 0.000 0.300 296 T C -1.423 173.005 174.700 -0.453 0.000 0.988 296 T CA -0.161 61.806 62.100 -0.221 0.000 0.993 296 T CB 0.620 69.413 68.868 -0.125 0.000 0.984 296 T HN 0.416 nan 8.240 nan 0.000 0.442 297 Y N 0.835 121.213 120.300 0.130 0.000 2.545 297 Y HA 0.466 5.018 4.550 0.002 0.000 0.348 297 Y C 0.039 175.987 175.900 0.080 0.000 1.002 297 Y CA -1.368 56.789 58.100 0.095 0.000 1.039 297 Y CB 1.372 39.890 38.460 0.095 0.000 1.271 297 Y HN 0.455 nan 8.280 nan 0.000 0.467 298 D N 2.898 123.407 120.400 0.182 0.000 2.441 298 D HA 0.155 4.796 4.640 0.002 0.000 0.221 298 D C 0.694 177.020 176.300 0.043 0.000 1.156 298 D CA 0.151 54.198 54.000 0.079 0.000 0.896 298 D CB 0.717 41.521 40.800 0.007 0.000 1.028 298 D HN 0.693 nan 8.370 nan 0.000 0.509 299 L N 3.309 124.583 121.223 0.085 0.000 2.127 299 L HA -0.189 4.152 4.340 0.002 0.000 0.211 299 L C 2.498 179.283 176.870 -0.142 0.000 1.089 299 L CA 1.023 55.889 54.840 0.044 0.000 0.757 299 L CB -0.327 41.870 42.059 0.231 0.000 0.899 299 L HN 0.390 nan 8.230 nan 0.000 0.434 300 K N -0.141 120.024 120.400 -0.391 0.000 2.063 300 K HA -0.226 4.095 4.320 0.002 0.000 0.208 300 K C 2.399 178.677 176.600 -0.537 0.000 1.048 300 K CA 1.812 57.458 56.287 -1.069 0.000 0.928 300 K CB -0.065 31.842 32.500 -0.988 0.000 0.713 300 K HN 0.124 nan 8.250 nan 0.000 0.442 301 S N -0.015 115.517 115.700 -0.280 0.000 2.357 301 S HA -0.103 4.369 4.470 0.002 0.000 0.221 301 S C 1.998 176.524 174.600 -0.124 0.000 1.031 301 S CA 1.299 59.402 58.200 -0.162 0.000 0.982 301 S CB -0.312 62.833 63.200 -0.093 0.000 0.853 301 S HN 0.338 nan 8.310 nan 0.000 0.458 302 V N 0.449 120.296 119.914 -0.113 0.000 2.379 302 V HA 0.084 4.205 4.120 0.002 0.000 0.245 302 V C 2.285 178.300 176.094 -0.131 0.000 1.044 302 V CA 1.454 63.677 62.300 -0.129 0.000 1.036 302 V CB -1.080 30.639 31.823 -0.174 0.000 0.664 302 V HN 0.482 nan 8.190 nan 0.000 0.453 303 L N 1.196 122.348 121.223 -0.118 0.000 2.275 303 L HA 0.074 4.416 4.340 0.002 0.000 0.215 303 L C 2.775 179.639 176.870 -0.011 0.000 1.119 303 L CA 1.297 56.090 54.840 -0.079 0.000 0.790 303 L CB -1.109 40.885 42.059 -0.107 0.000 0.919 303 L HN 0.525 nan 8.230 nan 0.000 0.443 304 G N -0.599 108.188 108.800 -0.021 0.000 2.418 304 G HA2 -0.235 3.726 3.960 0.002 0.000 0.217 304 G HA3 -0.235 3.726 3.960 0.002 0.000 0.217 304 G C 1.479 176.372 174.900 -0.011 0.000 1.158 304 G CA 0.208 45.313 45.100 0.010 0.000 0.771 304 G HN 0.289 nan 8.290 nan 0.000 0.545 305 Q N -0.292 119.482 119.800 -0.043 0.000 2.224 305 Q HA 0.050 4.391 4.340 0.002 0.000 0.203 305 Q C 2.393 178.367 176.000 -0.043 0.000 0.970 305 Q CA 0.501 56.275 55.803 -0.047 0.000 0.865 305 Q CB -0.358 28.340 28.738 -0.068 0.000 0.922 305 Q HN 0.395 nan 8.270 nan 0.000 0.445 306 L N -0.569 120.629 121.223 -0.042 0.000 2.552 306 L HA 0.063 4.405 4.340 0.002 0.000 0.227 306 L C 1.243 178.112 176.870 -0.003 0.000 1.146 306 L CA 1.532 56.357 54.840 -0.025 0.000 0.858 306 L CB -0.309 41.744 42.059 -0.011 0.000 0.969 306 L HN 0.433 nan 8.230 nan 0.000 0.451 307 G N -0.958 107.844 108.800 0.003 0.000 2.168 307 G HA2 -0.197 3.765 3.960 0.002 0.000 0.197 307 G HA3 -0.197 3.765 3.960 0.002 0.000 0.197 307 G C 0.337 175.253 174.900 0.026 0.000 0.997 307 G CA -0.203 44.906 45.100 0.014 0.000 0.658 307 G HN 0.200 nan 8.290 nan 0.000 0.513 308 I N 2.799 123.391 120.570 0.037 0.000 2.347 308 I HA 0.361 4.532 4.170 0.002 0.000 0.283 308 I C 1.416 177.628 176.117 0.157 0.000 1.058 308 I CA 0.388 61.720 61.300 0.052 0.000 1.202 308 I CB 1.055 39.054 38.000 -0.002 0.000 1.386 308 I HN 0.260 nan 8.210 nan 0.000 0.475 309 T N 0.131 114.762 114.554 0.128 0.000 3.010 309 T HA 0.130 4.481 4.350 0.002 0.000 0.252 309 T C 1.543 176.332 174.700 0.149 0.000 0.963 309 T CA -0.245 61.976 62.100 0.201 0.000 0.952 309 T CB 0.116 69.057 68.868 0.122 0.000 1.182 309 T HN 0.288 nan 8.240 nan 0.000 0.495 310 K N 1.155 121.592 120.400 0.061 0.000 2.044 310 K HA -0.048 4.273 4.320 0.002 0.000 0.210 310 K C 2.166 178.763 176.600 -0.006 0.000 1.049 310 K CA 1.558 57.862 56.287 0.029 0.000 0.927 310 K CB -0.746 31.762 32.500 0.013 0.000 0.713 310 K HN 0.196 nan 8.250 nan 0.000 0.443 311 V N 0.769 120.623 119.914 -0.100 0.000 2.867 311 V HA -0.173 3.949 4.120 0.002 0.000 0.260 311 V C 1.087 177.048 176.094 -0.223 0.000 1.099 311 V CA 1.541 63.721 62.300 -0.200 0.000 1.122 311 V CB -0.366 31.267 31.823 -0.317 0.000 0.708 311 V HN 0.229 nan 8.190 nan 0.000 0.490 312 F N -0.496 119.484 119.950 0.049 0.000 2.693 312 F HA 0.313 4.842 4.527 0.002 0.000 0.303 312 F C 1.181 176.995 175.800 0.023 0.000 1.097 312 F CA -0.248 57.773 58.000 0.035 0.000 1.330 312 F CB 0.312 39.331 39.000 0.031 0.000 1.067 312 F HN 0.064 nan 8.300 nan 0.000 0.565 313 S N -0.662 115.132 115.700 0.157 0.000 2.766 313 S HA 0.200 4.672 4.470 0.002 0.000 0.307 313 S C 0.691 175.330 174.600 0.065 0.000 1.121 313 S CA -0.748 57.513 58.200 0.103 0.000 0.980 313 S CB 1.302 64.551 63.200 0.082 0.000 1.159 313 S HN 0.129 nan 8.310 nan 0.000 0.546 314 N N 0.673 119.402 118.700 0.049 0.000 2.309 314 N HA -0.024 4.717 4.740 0.002 0.000 0.182 314 N C 1.640 177.164 175.510 0.024 0.000 1.018 314 N CA 0.767 53.838 53.050 0.034 0.000 0.876 314 N CB -0.110 38.393 38.487 0.027 0.000 0.972 314 N HN 0.716 nan 8.380 nan 0.000 0.434 315 G N 0.258 109.072 108.800 0.025 0.000 2.744 315 G HA2 0.142 4.103 3.960 0.002 0.000 0.211 315 G HA3 0.142 4.103 3.960 0.002 0.000 0.211 315 G C 0.378 175.284 174.900 0.010 0.000 1.143 315 G CA 0.045 45.154 45.100 0.016 0.000 0.788 315 G HN 0.373 nan 8.290 nan 0.000 0.534 316 A N 0.706 123.533 122.820 0.012 0.000 2.603 316 A HA 0.242 4.563 4.320 0.002 0.000 0.235 316 A C 0.032 177.607 177.584 -0.014 0.000 1.035 316 A CA 0.395 52.430 52.037 -0.002 0.000 0.755 316 A CB 0.208 19.208 19.000 0.000 0.000 0.954 316 A HN 0.183 nan 8.150 nan 0.000 0.511 317 D N 2.393 122.779 120.400 -0.023 0.000 2.477 317 D HA 0.418 5.059 4.640 0.002 0.000 0.239 317 D C -0.332 175.933 176.300 -0.059 0.000 1.102 317 D CA -0.101 53.878 54.000 -0.035 0.000 0.901 317 D CB 0.164 40.949 40.800 -0.025 0.000 1.026 317 D HN 0.364 nan 8.370 nan 0.000 0.515 318 L N 2.698 123.872 121.223 -0.082 0.000 3.141 318 L HA 0.096 4.437 4.340 0.002 0.000 0.267 318 L C 1.798 178.564 176.870 -0.173 0.000 1.281 318 L CA -0.123 54.633 54.840 -0.141 0.000 1.037 318 L CB 0.290 42.267 42.059 -0.138 0.000 1.407 318 L HN 0.287 nan 8.230 nan 0.000 0.566 319 S N -1.643 113.982 115.700 -0.125 0.000 2.537 319 S HA -0.099 4.373 4.470 0.002 0.000 0.240 319 S C 1.856 176.371 174.600 -0.141 0.000 0.981 319 S CA 0.892 59.023 58.200 -0.116 0.000 0.948 319 S CB -0.277 62.875 63.200 -0.080 0.000 0.759 319 S HN 0.491 nan 8.310 nan 0.000 0.531 320 G N 0.689 109.378 108.800 -0.185 0.000 2.623 320 G HA2 0.121 4.082 3.960 0.002 0.000 0.214 320 G HA3 0.121 4.082 3.960 0.002 0.000 0.214 320 G C 1.174 175.881 174.900 -0.322 0.000 1.138 320 G CA 0.676 45.656 45.100 -0.201 0.000 0.794 320 G HN 0.505 nan 8.290 nan 0.000 0.535 321 V N -0.636 119.003 119.914 -0.458 0.000 2.521 321 V HA 0.215 4.336 4.120 0.002 0.000 0.239 321 V C 1.096 177.022 176.094 -0.279 0.000 1.053 321 V CA 1.443 63.394 62.300 -0.582 0.000 1.073 321 V CB 0.518 31.884 31.823 -0.762 0.000 0.746 321 V HN 0.228 nan 8.190 nan 0.000 0.476 322 T N -0.487 113.931 114.554 -0.226 0.000 2.937 322 T HA 0.263 4.614 4.350 0.002 0.000 0.297 322 T C 0.595 175.229 174.700 -0.110 0.000 0.991 322 T CA -0.512 61.503 62.100 -0.141 0.000 0.990 322 T CB 1.495 70.284 68.868 -0.132 0.000 0.991 322 T HN 0.196 nan 8.240 nan 0.000 0.440 323 E N 3.361 123.512 120.200 -0.081 0.000 2.035 323 E HA -0.170 4.181 4.350 0.002 0.000 0.204 323 E C 1.243 177.810 176.600 -0.055 0.000 1.025 323 E CA 1.993 58.354 56.400 -0.064 0.000 0.835 323 E CB 0.233 29.904 29.700 -0.048 0.000 0.764 323 E HN 0.812 nan 8.360 nan 0.000 0.457 324 E N -0.357 119.816 120.200 -0.045 0.000 2.399 324 E HA 0.288 4.639 4.350 0.002 0.000 0.205 324 E C 0.266 176.847 176.600 -0.032 0.000 0.906 324 E CA 0.325 56.704 56.400 -0.036 0.000 0.998 324 E CB 0.419 30.103 29.700 -0.027 0.000 1.002 324 E HN 0.133 nan 8.360 nan 0.000 0.501 325 A N 3.346 126.145 122.820 -0.034 0.000 2.477 325 A HA 0.223 4.544 4.320 0.002 0.000 0.246 325 A C -2.044 175.524 177.584 -0.026 0.000 1.078 325 A CA -1.070 50.951 52.037 -0.026 0.000 0.770 325 A CB -0.339 18.647 19.000 -0.025 0.000 1.011 325 A HN -0.040 nan 8.150 nan 0.000 0.494 326 P HA 0.274 nan 4.420 nan 0.000 0.269 326 P C -1.001 176.299 177.300 -0.000 0.000 1.252 326 P CA 0.095 63.191 63.100 -0.007 0.000 0.780 326 P CB 0.629 32.330 31.700 0.002 0.000 0.829 327 L N 4.531 125.751 121.223 -0.006 0.000 2.354 327 L HA 0.734 5.075 4.340 0.002 0.000 0.264 327 L C -0.515 176.382 176.870 0.044 0.000 1.008 327 L CA -0.573 54.275 54.840 0.012 0.000 0.819 327 L CB 2.158 44.195 42.059 -0.037 0.000 1.339 327 L HN 0.470 nan 8.230 nan 0.000 0.420 328 K N 2.669 123.132 120.400 0.106 0.000 2.575 328 K HA 0.474 4.796 4.320 0.002 0.000 0.279 328 K C -1.775 174.951 176.600 0.209 0.000 0.969 328 K CA -0.994 55.367 56.287 0.123 0.000 0.868 328 K CB 1.478 34.034 32.500 0.093 0.000 1.457 328 K HN 0.444 nan 8.250 nan 0.000 0.426 329 L N 2.595 123.902 121.223 0.140 0.000 2.385 329 L HA 0.200 4.541 4.340 0.002 0.000 0.281 329 L C 0.568 177.537 176.870 0.166 0.000 1.106 329 L CA 0.648 55.507 54.840 0.032 0.000 0.856 329 L CB 0.687 42.643 42.059 -0.173 0.000 1.186 329 L HN 0.843 nan 8.230 nan 0.000 0.453 330 S N 3.450 119.192 115.700 0.070 0.000 2.377 330 S HA 0.036 4.507 4.470 0.002 0.000 0.223 330 S C 0.550 175.160 174.600 0.015 0.000 1.030 330 S CA 0.785 59.006 58.200 0.035 0.000 0.970 330 S CB 0.005 63.169 63.200 -0.060 0.000 0.830 330 S HN 0.618 nan 8.310 nan 0.000 0.473 331 K N -0.042 120.354 120.400 -0.006 0.000 2.523 331 K HA 0.616 4.938 4.320 0.002 0.000 0.257 331 K C -2.246 174.381 176.600 0.044 0.000 0.932 331 K CA -0.570 55.717 56.287 -0.000 0.000 0.812 331 K CB 1.939 34.419 32.500 -0.034 0.000 1.326 331 K HN 0.106 nan 8.250 nan 0.000 0.433 332 A N 3.014 125.894 122.820 0.099 0.000 2.402 332 A HA 0.611 4.932 4.320 0.002 0.000 0.291 332 A C -1.602 176.096 177.584 0.190 0.000 1.051 332 A CA -0.602 51.545 52.037 0.184 0.000 0.716 332 A CB 1.428 20.664 19.000 0.393 0.000 1.223 332 A HN 0.314 nan 8.150 nan 0.000 0.425 333 V N 2.113 122.153 119.914 0.209 0.000 2.823 333 V HA 0.591 4.713 4.120 0.002 0.000 0.312 333 V C -0.664 175.629 176.094 0.331 0.000 1.072 333 V CA -0.573 61.864 62.300 0.230 0.000 0.937 333 V CB 2.050 33.969 31.823 0.160 0.000 1.013 333 V HN 1.042 nan 8.190 nan 0.000 0.430 334 H N 2.846 122.067 119.070 0.252 0.000 2.589 334 H HA 0.730 5.288 4.556 0.002 0.000 0.351 334 H C -0.837 174.676 175.328 0.308 0.000 1.074 334 H CA -0.693 55.530 56.048 0.292 0.000 1.203 334 H CB 1.657 31.598 29.762 0.297 0.000 1.558 334 H HN 0.629 nan 8.280 nan 0.000 0.522 335 K N 3.858 124.109 120.400 -0.248 0.000 2.471 335 K HA 0.777 5.098 4.320 0.002 0.000 0.252 335 K C -1.858 174.644 176.600 -0.163 0.000 0.938 335 K CA -0.572 55.639 56.287 -0.127 0.000 0.796 335 K CB 1.450 33.995 32.500 0.074 0.000 1.161 335 K HN 0.661 nan 8.250 nan 0.000 0.425 336 A N 3.135 125.957 122.820 0.003 0.000 2.355 336 A HA 0.763 5.085 4.320 0.002 0.000 0.317 336 A C -1.343 176.544 177.584 0.504 0.000 1.094 336 A CA -0.710 51.488 52.037 0.268 0.000 0.764 336 A CB 1.510 20.635 19.000 0.208 0.000 1.230 336 A HN 0.434 nan 8.150 nan 0.000 0.448 337 V N 2.634 122.859 119.914 0.519 0.000 2.623 337 V HA 0.605 4.727 4.120 0.002 0.000 0.304 337 V C -1.020 175.153 176.094 0.132 0.000 1.054 337 V CA -0.430 62.098 62.300 0.380 0.000 0.882 337 V CB 1.414 33.503 31.823 0.444 0.000 1.002 337 V HN 0.905 nan 8.190 nan 0.000 0.424 338 L N 4.151 125.294 121.223 -0.133 0.000 2.408 338 L HA 0.908 5.249 4.340 0.002 0.000 0.268 338 L C -0.343 176.374 176.870 -0.256 0.000 0.986 338 L CA 0.378 55.019 54.840 -0.331 0.000 0.820 338 L CB 2.627 44.343 42.059 -0.570 0.000 1.303 338 L HN 0.704 nan 8.230 nan 0.000 0.411 339 T N 5.980 120.410 114.554 -0.207 0.000 2.841 339 T HA 0.670 5.021 4.350 0.002 0.000 0.285 339 T C -0.589 174.053 174.700 -0.098 0.000 0.991 339 T CA -0.152 61.878 62.100 -0.118 0.000 0.966 339 T CB 0.987 69.831 68.868 -0.039 0.000 0.962 339 T HN 0.443 nan 8.240 nan 0.000 0.438 340 I N 3.885 124.418 120.570 -0.061 0.000 2.466 340 I HA 0.510 4.681 4.170 0.002 0.000 0.289 340 I C -0.708 175.426 176.117 0.028 0.000 1.026 340 I CA -0.781 60.524 61.300 0.009 0.000 1.078 340 I CB 1.953 39.989 38.000 0.060 0.000 1.249 340 I HN 0.706 nan 8.210 nan 0.000 0.429 341 D N 4.014 124.467 120.400 0.088 0.000 2.867 341 D HA 0.174 4.816 4.640 0.002 0.000 0.308 341 D C 0.241 176.698 176.300 0.261 0.000 1.202 341 D CA -0.574 53.480 54.000 0.089 0.000 1.035 341 D CB 0.410 41.237 40.800 0.045 0.000 1.427 341 D HN 0.439 nan 8.370 nan 0.000 0.570 342 E N -0.403 119.914 120.200 0.195 0.000 2.481 342 E HA -0.012 4.339 4.350 0.002 0.000 0.195 342 E C -0.129 176.750 176.600 0.465 0.000 1.047 342 E CA 0.113 56.733 56.400 0.367 0.000 0.867 342 E CB -0.207 29.622 29.700 0.215 0.000 0.858 342 E HN 0.202 nan 8.360 nan 0.000 0.513 343 K N 1.681 122.260 120.400 0.298 0.000 2.524 343 K HA 0.215 4.537 4.320 0.002 0.000 0.279 343 K C 0.558 177.326 176.600 0.280 0.000 0.993 343 K CA 0.717 57.138 56.287 0.223 0.000 1.030 343 K CB 0.822 33.387 32.500 0.108 0.000 0.891 343 K HN 0.254 nan 8.250 nan 0.000 0.488 344 G N 0.045 108.988 108.800 0.239 0.000 3.058 344 G HA2 0.218 4.179 3.960 0.002 0.000 0.282 344 G HA3 0.218 4.179 3.960 0.002 0.000 0.282 344 G C -0.932 174.075 174.900 0.178 0.000 1.248 344 G CA -0.393 44.856 45.100 0.249 0.000 0.822 344 G HN 0.533 nan 8.290 nan 0.000 0.579 345 T N 0.342 115.009 114.554 0.189 0.000 2.419 345 T HA 0.162 4.513 4.350 0.002 0.000 0.229 345 T C 0.541 175.300 174.700 0.098 0.000 1.095 345 T CA 0.964 63.147 62.100 0.137 0.000 1.402 345 T CB -0.952 68.004 68.868 0.145 0.000 1.078 345 T HN 0.721 nan 8.240 nan 0.000 0.485 346 E N 3.462 123.705 120.200 0.072 0.000 2.391 346 E HA 0.507 4.858 4.350 0.002 0.000 0.255 346 E C 1.095 177.718 176.600 0.038 0.000 1.187 346 E CA -0.699 55.732 56.400 0.053 0.000 0.941 346 E CB 0.358 30.082 29.700 0.039 0.000 1.010 346 E HN 1.100 nan 8.360 nan 0.000 0.458 347 A N -0.204 122.634 122.820 0.029 0.000 3.585 347 A HA 0.213 4.534 4.320 0.002 0.000 0.217 347 A C 0.495 178.088 177.584 0.015 0.000 0.886 347 A CA 0.638 52.687 52.037 0.019 0.000 1.941 347 A CB -2.113 16.896 19.000 0.014 0.000 0.742 347 A HN 1.960 nan 8.150 nan 0.000 0.694 348 A N -2.383 120.449 122.820 0.020 0.000 2.467 348 A HA 0.617 4.938 4.320 0.002 0.000 0.302 348 A C 0.573 178.168 177.584 0.019 0.000 0.917 348 A CA 0.354 52.400 52.037 0.016 0.000 0.560 348 A CB -1.133 17.868 19.000 0.003 0.000 1.452 348 A HN 2.177 nan 8.150 nan 0.000 0.493 349 G N 0.616 109.425 108.800 0.015 0.000 2.716 349 G HA2 0.604 4.565 3.960 0.002 0.000 0.296 349 G HA3 0.604 4.565 3.960 0.002 0.000 0.296 349 G C 0.772 175.655 174.900 -0.029 0.000 0.811 349 G CA 0.867 45.978 45.100 0.019 0.000 1.758 349 G HN 2.141 nan 8.290 nan 0.000 0.512 350 A N 4.773 127.555 122.820 -0.063 0.000 2.004 350 A HA 0.207 4.528 4.320 0.002 0.000 0.212 350 A C 1.450 178.826 177.584 -0.347 0.000 1.442 350 A CA -0.150 51.775 52.037 -0.187 0.000 1.450 350 A CB -0.842 18.029 19.000 -0.215 0.000 0.749 350 A HN 0.703 nan 8.150 nan 0.000 0.591 351 M N -1.155 118.330 119.600 -0.192 0.000 3.810 351 M HA -0.206 4.275 4.480 0.002 0.000 0.249 351 M C -0.414 175.702 176.300 -0.307 0.000 1.508 351 M CA 1.266 56.468 55.300 -0.162 0.000 1.026 351 M CB -1.695 30.841 32.600 -0.106 0.000 1.440 351 M HN 0.406 nan 8.290 nan 0.000 0.293 352 F N 2.742 122.675 119.950 -0.029 0.000 2.518 352 F HA 0.740 5.268 4.527 0.002 0.000 0.338 352 F C 0.202 175.973 175.800 -0.049 0.000 1.065 352 F CA -1.021 56.952 58.000 -0.045 0.000 1.012 352 F CB 1.235 40.196 39.000 -0.064 0.000 1.297 352 F HN 0.480 nan 8.300 nan 0.000 0.489 353 L N 1.790 123.121 121.223 0.180 0.000 2.325 353 L HA 0.391 4.732 4.340 0.002 0.000 0.281 353 L C -0.989 175.895 176.870 0.022 0.000 1.004 353 L CA -0.256 54.622 54.840 0.064 0.000 0.823 353 L CB 1.096 43.175 42.059 0.034 0.000 1.236 353 L HN 0.644 nan 8.230 nan 0.000 0.415 354 E N 4.645 124.846 120.200 0.002 0.000 2.185 354 E HA 0.788 5.139 4.350 0.002 0.000 0.261 354 E C -1.126 175.458 176.600 -0.027 0.000 0.879 354 E CA -0.897 55.485 56.400 -0.031 0.000 0.756 354 E CB 1.659 31.336 29.700 -0.038 0.000 1.152 354 E HN 0.625 nan 8.360 nan 0.000 0.416 355 A N 4.219 127.017 122.820 -0.036 0.000 2.326 355 A HA 0.682 5.003 4.320 0.002 0.000 0.303 355 A C -0.316 177.251 177.584 -0.028 0.000 1.164 355 A CA -0.924 51.096 52.037 -0.028 0.000 0.929 355 A CB 0.683 19.666 19.000 -0.027 0.000 1.363 355 A HN 0.720 nan 8.150 nan 0.000 0.498 356 I N 1.024 121.582 120.570 -0.021 0.000 2.377 356 I HA 0.313 4.484 4.170 0.002 0.000 0.293 356 I C -1.930 174.177 176.117 -0.017 0.000 0.987 356 I CA -1.664 59.625 61.300 -0.017 0.000 1.185 356 I CB 1.586 39.579 38.000 -0.011 0.000 1.341 356 I HN 0.495 nan 8.210 nan 0.000 0.455 357 P HA 0.239 nan 4.420 nan 0.000 0.272 357 P C 0.466 177.761 177.300 -0.008 0.000 1.240 357 P CA -0.424 62.667 63.100 -0.014 0.000 0.791 357 P CB 0.641 32.335 31.700 -0.011 0.000 0.978 358 M N -0.977 118.620 119.600 -0.006 0.000 2.486 358 M HA 0.056 4.537 4.480 0.002 0.000 0.264 358 M C 0.630 176.929 176.300 -0.001 0.000 1.125 358 M CA 0.880 56.178 55.300 -0.003 0.000 1.144 358 M CB -0.597 32.002 32.600 -0.002 0.000 1.353 358 M HN 0.461 nan 8.290 nan 0.000 0.466 359 S N -0.449 115.251 115.700 0.000 0.000 2.661 359 S HA 0.640 5.112 4.470 0.002 0.000 0.285 359 S C -0.348 174.254 174.600 0.003 0.000 1.138 359 S CA -0.954 57.248 58.200 0.003 0.000 0.855 359 S CB 1.826 65.030 63.200 0.006 0.000 1.136 359 S HN 0.180 nan 8.310 nan 0.000 0.484 360 I N 3.289 123.861 120.570 0.004 0.000 2.421 360 I HA 0.230 4.401 4.170 0.002 0.000 0.291 360 I C -1.618 174.502 176.117 0.006 0.000 1.089 360 I CA -1.444 59.858 61.300 0.003 0.000 1.354 360 I CB 0.363 38.364 38.000 0.002 0.000 1.413 360 I HN 0.541 nan 8.210 nan 0.000 0.513 361 P HA 0.261 nan 4.420 nan 0.000 0.274 361 P C -2.579 174.716 177.300 -0.008 0.000 1.246 361 P CA -1.219 61.885 63.100 0.005 0.000 0.795 361 P CB -0.123 31.580 31.700 0.005 0.000 1.006 362 P HA 0.157 nan 4.420 nan 0.000 0.272 362 P C -0.345 176.868 177.300 -0.145 0.000 1.223 362 P CA 0.119 63.187 63.100 -0.053 0.000 0.784 362 P CB 0.791 32.481 31.700 -0.017 0.000 0.923 363 E N 0.901 121.004 120.200 -0.161 0.000 2.156 363 E HA 0.339 4.690 4.350 0.002 0.000 0.279 363 E C -0.745 175.636 176.600 -0.365 0.000 0.965 363 E CA -0.747 55.534 56.400 -0.199 0.000 0.789 363 E CB 1.724 31.332 29.700 -0.154 0.000 1.098 363 E HN 0.134 nan 8.360 nan 0.000 0.397 364 V N 4.516 124.181 119.914 -0.415 0.000 2.340 364 V HA 0.236 4.357 4.120 0.002 0.000 0.277 364 V C -0.248 175.621 176.094 -0.376 0.000 1.017 364 V CA -0.714 61.229 62.300 -0.594 0.000 0.820 364 V CB 0.896 32.239 31.823 -0.800 0.000 1.028 364 V HN 0.417 nan 8.190 nan 0.000 0.436 365 K N 4.227 124.400 120.400 -0.379 0.000 2.265 365 K HA 0.540 4.861 4.320 0.002 0.000 0.267 365 K C -0.849 175.584 176.600 -0.278 0.000 0.994 365 K CA -0.457 55.676 56.287 -0.257 0.000 0.860 365 K CB 1.611 33.906 32.500 -0.342 0.000 1.099 365 K HN 0.421 nan 8.250 nan 0.000 0.448 366 F N 3.485 123.339 119.950 -0.159 0.000 2.606 366 F HA 0.085 4.613 4.527 0.002 0.000 0.347 366 F C 0.699 176.536 175.800 0.061 0.000 1.207 366 F CA -0.689 57.236 58.000 -0.125 0.000 1.306 366 F CB -0.191 38.539 39.000 -0.450 0.000 1.657 366 F HN 0.475 nan 8.300 nan 0.000 0.606 367 N N 1.482 120.180 118.700 -0.003 0.000 2.458 367 N HA 0.139 4.880 4.740 0.002 0.000 0.274 367 N C -0.634 174.435 175.510 -0.736 0.000 1.242 367 N CA -0.410 52.511 53.050 -0.214 0.000 0.904 367 N CB 0.144 38.539 38.487 -0.154 0.000 1.206 367 N HN 0.543 nan 8.380 nan 0.000 0.510 368 K N -2.480 117.466 120.400 -0.757 0.000 2.642 368 K HA 0.491 4.813 4.320 0.002 0.000 0.290 368 K C -3.448 173.113 176.600 -0.064 0.000 1.006 368 K CA -1.637 54.274 56.287 -0.627 0.000 0.869 368 K CB 0.692 33.086 32.500 -0.176 0.000 1.499 368 K HN -0.288 nan 8.250 nan 0.000 0.403 369 P HA -0.064 nan 4.420 nan 0.000 0.261 369 P C -1.216 176.331 177.300 0.411 0.000 1.165 369 P CA 0.496 63.778 63.100 0.303 0.000 0.759 369 P CB -0.090 31.731 31.700 0.201 0.000 0.772 370 F N 1.399 121.603 119.950 0.425 0.000 2.664 370 F HA 0.781 5.309 4.527 0.003 0.000 0.317 370 F C -1.591 174.498 175.800 0.481 0.000 1.108 370 F CA -1.448 56.833 58.000 0.469 0.000 0.957 370 F CB 0.787 40.188 39.000 0.668 0.000 1.365 370 F HN -0.022 nan 8.300 nan 0.000 0.475 371 V N 2.039 122.421 119.914 0.780 0.000 2.680 371 V HA 0.714 4.836 4.120 0.002 0.000 0.309 371 V C -0.874 175.697 176.094 0.795 0.000 1.052 371 V CA -0.697 61.933 62.300 0.551 0.000 0.908 371 V CB 1.647 33.599 31.823 0.215 0.000 1.001 371 V HN 0.866 nan 8.190 nan 0.000 0.431 372 F N 3.700 123.879 119.950 0.382 0.000 2.643 372 F HA 0.957 5.485 4.527 0.002 0.000 0.314 372 F C -1.498 174.362 175.800 0.099 0.000 1.096 372 F CA -1.458 56.671 58.000 0.215 0.000 0.953 372 F CB 1.857 40.856 39.000 -0.002 0.000 1.345 372 F HN 0.443 nan 8.300 nan 0.000 0.468 373 L N 2.962 124.279 121.223 0.158 0.000 2.455 373 L HA 0.662 5.003 4.340 0.002 0.000 0.264 373 L C -1.727 175.208 176.870 0.108 0.000 0.968 373 L CA -0.724 54.146 54.840 0.049 0.000 0.827 373 L CB 2.293 44.423 42.059 0.119 0.000 1.317 373 L HN 0.725 nan 8.230 nan 0.000 0.407 374 M N 5.995 125.660 119.600 0.108 0.000 2.268 374 M HA 0.548 5.029 4.480 0.002 0.000 0.344 374 M C -0.937 175.375 176.300 0.020 0.000 1.106 374 M CA -0.220 55.148 55.300 0.114 0.000 1.010 374 M CB 1.400 34.127 32.600 0.212 0.000 1.649 374 M HN 0.467 nan 8.290 nan 0.000 0.443 375 I N 1.476 122.069 120.570 0.038 0.000 2.582 375 I HA 0.215 4.387 4.170 0.002 0.000 0.292 375 I C -0.386 175.746 176.117 0.026 0.000 1.066 375 I CA -0.852 60.455 61.300 0.012 0.000 1.053 375 I CB 2.513 40.541 38.000 0.047 0.000 1.241 375 I HN 0.536 nan 8.210 nan 0.000 0.421 376 D N 5.539 125.930 120.400 -0.016 0.000 2.344 376 D HA 0.004 4.645 4.640 0.002 0.000 0.253 376 D C 0.884 177.197 176.300 0.022 0.000 1.255 376 D CA 0.335 54.334 54.000 -0.002 0.000 0.894 376 D CB 1.223 41.985 40.800 -0.063 0.000 1.067 376 D HN 0.598 nan 8.370 nan 0.000 0.492 377 Q N 3.895 123.732 119.800 0.063 0.000 2.135 377 Q HA -0.231 4.110 4.340 0.002 0.000 0.204 377 Q C 0.983 177.024 176.000 0.069 0.000 0.981 377 Q CA 1.530 57.378 55.803 0.075 0.000 0.856 377 Q CB 0.136 28.930 28.738 0.094 0.000 0.902 377 Q HN 0.610 nan 8.270 nan 0.000 0.425 378 N N -0.806 117.928 118.700 0.057 0.000 1.997 378 N HA -0.174 4.568 4.740 0.002 0.000 0.198 378 N C 1.692 177.247 175.510 0.075 0.000 1.070 378 N CA 1.817 54.908 53.050 0.068 0.000 0.864 378 N CB -0.402 38.114 38.487 0.047 0.000 1.066 378 N HN 0.112 nan 8.380 nan 0.000 0.425 379 T N -0.290 114.232 114.554 -0.055 0.000 3.055 379 T HA -0.013 4.338 4.350 0.002 0.000 0.265 379 T C 0.375 175.032 174.700 -0.072 0.000 1.111 379 T CA 0.615 62.576 62.100 -0.232 0.000 1.118 379 T CB -0.078 68.348 68.868 -0.737 0.000 0.909 379 T HN 0.173 nan 8.240 nan 0.000 0.501 380 K N 1.518 121.905 120.400 -0.021 0.000 3.281 380 K HA -0.118 4.204 4.320 0.002 0.000 0.295 380 K C -0.058 176.529 176.600 -0.023 0.000 1.233 380 K CA 0.750 57.049 56.287 0.020 0.000 0.866 380 K CB -2.112 30.437 32.500 0.081 0.000 1.265 380 K HN 0.590 nan 8.250 nan 0.000 0.482 381 S N -0.644 115.001 115.700 -0.091 0.000 2.585 381 S HA 0.694 5.166 4.470 0.002 0.000 0.277 381 S C -2.622 171.910 174.600 -0.113 0.000 1.241 381 S CA -1.454 56.680 58.200 -0.110 0.000 1.041 381 S CB 1.814 64.918 63.200 -0.160 0.000 0.987 381 S HN -0.043 nan 8.310 nan 0.000 0.512 382 P HA 0.270 nan 4.420 nan 0.000 0.273 382 P C 0.424 177.576 177.300 -0.248 0.000 1.428 382 P CA -0.331 62.665 63.100 -0.173 0.000 0.995 382 P CB 0.266 31.837 31.700 -0.215 0.000 1.286 383 L N 1.841 122.884 121.223 -0.300 0.000 2.027 383 L HA -0.004 4.337 4.340 0.002 0.000 0.206 383 L C 0.445 176.775 176.870 -0.901 0.000 1.074 383 L CA 1.622 56.112 54.840 -0.582 0.000 0.745 383 L CB -0.276 41.423 42.059 -0.599 0.000 0.898 383 L HN 0.234 nan 8.230 nan 0.000 0.433 384 F N -1.806 117.988 119.950 -0.260 0.000 2.626 384 F HA 0.581 5.110 4.527 0.002 0.000 0.311 384 F C -0.232 175.289 175.800 -0.465 0.000 1.088 384 F CA -0.800 56.978 58.000 -0.370 0.000 0.949 384 F CB 1.880 40.793 39.000 -0.145 0.000 1.322 384 F HN -0.285 nan 8.300 nan 0.000 0.461 385 M N 1.260 120.542 119.600 -0.529 0.000 2.413 385 M HA 0.811 5.292 4.480 0.002 0.000 0.287 385 M C -1.198 174.711 176.300 -0.652 0.000 1.186 385 M CA 0.060 54.961 55.300 -0.665 0.000 0.927 385 M CB 2.516 34.663 32.600 -0.755 0.000 1.715 385 M HN 0.798 nan 8.290 nan 0.000 0.478 386 G N 2.450 110.842 108.800 -0.680 0.000 2.506 386 G HA2 0.509 4.470 3.960 0.002 0.000 0.292 386 G HA3 0.509 4.470 3.960 0.002 0.000 0.292 386 G C -2.534 172.293 174.900 -0.122 0.000 1.425 386 G CA -0.842 44.091 45.100 -0.279 0.000 0.788 386 G HN 0.793 nan 8.290 nan 0.000 0.490 387 K N -0.055 120.455 120.400 0.183 0.000 2.482 387 K HA 0.622 4.943 4.320 0.002 0.000 0.251 387 K C -1.383 175.278 176.600 0.101 0.000 0.936 387 K CA -0.645 55.758 56.287 0.194 0.000 0.791 387 K CB 2.454 35.136 32.500 0.305 0.000 1.213 387 K HN 0.327 nan 8.250 nan 0.000 0.428 388 V N 5.279 125.115 119.914 -0.129 0.000 2.333 388 V HA 0.143 4.264 4.120 0.002 0.000 0.274 388 V C 0.729 176.778 176.094 -0.076 0.000 1.028 388 V CA -0.502 61.666 62.300 -0.219 0.000 0.851 388 V CB 1.129 32.594 31.823 -0.597 0.000 1.000 388 V HN 0.738 nan 8.190 nan 0.000 0.456 389 V N 3.145 123.081 119.914 0.036 0.000 2.795 389 V HA 0.203 4.325 4.120 0.002 0.000 0.243 389 V C 0.791 176.994 176.094 0.182 0.000 1.069 389 V CA 0.819 63.208 62.300 0.149 0.000 1.089 389 V CB 0.058 31.949 31.823 0.112 0.000 0.756 389 V HN 0.858 nan 8.190 nan 0.000 0.471 390 N N -0.215 118.482 118.700 -0.006 0.000 2.558 390 N HA 0.262 5.004 4.740 0.002 0.000 0.285 390 N C -2.510 172.848 175.510 -0.253 0.000 1.112 390 N CA -1.445 51.539 53.050 -0.110 0.000 0.857 390 N CB 2.388 40.866 38.487 -0.014 0.000 1.376 390 N HN -0.068 nan 8.380 nan 0.000 0.526 391 P HA -0.071 nan 4.420 nan 0.000 0.221 391 P C 0.952 178.124 177.300 -0.215 0.000 1.145 391 P CA 1.437 64.303 63.100 -0.389 0.000 0.795 391 P CB 0.232 31.603 31.700 -0.549 0.000 0.775 392 T N -5.141 109.311 114.554 -0.169 0.000 3.086 392 T HA 0.036 4.387 4.350 0.002 0.000 0.250 392 T C 1.369 176.029 174.700 -0.068 0.000 1.074 392 T CA -0.115 61.926 62.100 -0.099 0.000 0.988 392 T CB -0.548 68.277 68.868 -0.071 0.000 0.988 392 T HN 0.053 nan 8.240 nan 0.000 0.530 393 Q N 2.258 122.017 119.800 -0.069 0.000 2.291 393 Q HA 0.078 4.419 4.340 0.002 0.000 0.211 393 Q C 0.554 176.533 176.000 -0.035 0.000 0.925 393 Q CA -0.224 55.556 55.803 -0.039 0.000 0.949 393 Q CB -0.077 28.646 28.738 -0.025 0.000 1.015 393 Q HN 0.745 nan 8.270 nan 0.000 0.477 394 K N 0.000 120.372 120.400 -0.047 0.000 2.780 394 K HA 0.000 4.321 4.320 0.002 0.000 0.191 394 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 394 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543