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 3q88_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAMLFCDDSK KYLKEQNINL KNEFDKDDKR VEKFSLKHQN IYFDYSKNLI DATA SEQUENCE NDYILKSLLE SAEKSSLKDK IKQMFNGAKI NSTEHRAVLH TALRDLSSTP DATA SEQUENCE LIVDGQDIRQ EVTKEKQRVK ELVEKVVSGR WRGFSGKKIT DIVNIGIGGS DATA SEQUENCE DLGPKMVVRA LQPYHCTDLK VHFVSNVDAD SLLQALHVVD PETTLLIIAS DATA SEQUENCE KSFSTEETLL NSISAREWLL DHYEDEKAVA NHFVAISSKL DKVKEFGIDL DATA SEQUENCE EHCYKMWDWV GGRYSLWSSI GMSIAFAIGY DNFEKLLAGA YSVDKHFKET DATA SEQUENCE EFSKNIPVIM ALLASYYSCT YNSQSQALLP YDERLCYFVD YLQQADMESN DATA SEQUENCE GKSVNIAGET VNYQTGVVLW GGVGTNGQHA FHQLLHQGNI FIPVDFIAIA DATA SEQUENCE TSHHNYDNHQ QALLANCFAQ SQALMFGQSY DMVYNELLKS GLNETQAKEL DATA SEQUENCE AAHKVIPGNR PSTTILLDEL SPYSLGALIA LYEHKIFVQG VLWDINSYDQ DATA SEQUENCE WGVELGKKLG KNILKAMNDD SSDEYQNLDD STRQLIAKVK N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.539 175.510 0.048 0.000 1.280 -1 N CA 0.000 53.077 53.050 0.045 0.000 0.885 -1 N CB 0.000 38.508 38.487 0.035 0.000 1.341 0 A N 0.902 123.759 122.820 0.062 0.000 2.425 0 A HA 0.413 4.734 4.320 0.001 0.000 0.242 0 A C 0.749 178.366 177.584 0.055 0.000 1.077 0 A CA -0.347 51.727 52.037 0.061 0.000 0.781 0 A CB 0.152 19.200 19.000 0.080 0.000 1.020 0 A HN 0.475 nan 8.150 nan 0.000 0.494 1 M N 1.324 120.950 119.600 0.042 0.000 2.248 1 M HA 0.073 4.553 4.480 0.001 0.000 0.343 1 M C -0.711 175.611 176.300 0.036 0.000 1.243 1 M CA 0.011 55.330 55.300 0.032 0.000 1.025 1 M CB -0.026 32.590 32.600 0.026 0.000 1.759 1 M HN 0.637 nan 8.290 nan 0.000 0.452 2 L N 6.553 127.783 121.223 0.012 0.000 2.261 2 L HA 0.173 4.514 4.340 0.001 0.000 0.289 2 L C -0.152 176.694 176.870 -0.040 0.000 1.059 2 L CA 0.405 55.231 54.840 -0.023 0.000 0.816 2 L CB 0.429 42.473 42.059 -0.026 0.000 1.191 2 L HN 0.796 nan 8.230 nan 0.000 0.431 3 F N 4.359 124.202 119.950 -0.178 0.000 2.098 3 F HA -0.028 4.500 4.527 0.001 0.000 0.294 3 F C 1.429 177.160 175.800 -0.114 0.000 1.107 3 F CA 0.892 58.807 58.000 -0.141 0.000 1.234 3 F CB 0.211 39.125 39.000 -0.143 0.000 1.002 3 F HN 0.437 nan 8.300 nan 0.000 0.472 4 C N 3.616 122.849 119.300 -0.111 0.000 2.756 4 C HA 0.225 4.685 4.460 0.001 0.000 0.504 4 C C -0.162 174.747 174.990 -0.136 0.000 1.028 4 C CA -0.975 57.974 59.018 -0.115 0.000 1.167 4 C CB -2.703 25.053 27.740 0.026 0.000 1.444 4 C HN 0.399 nan 8.230 nan 0.000 0.577 5 D N -0.489 119.792 120.400 -0.198 0.000 2.592 5 D HA 0.212 4.853 4.640 0.001 0.000 0.259 5 D C 0.539 176.730 176.300 -0.183 0.000 1.144 5 D CA -0.682 53.225 54.000 -0.154 0.000 1.080 5 D CB 0.371 41.083 40.800 -0.146 0.000 1.225 5 D HN -0.031 nan 8.370 nan 0.000 0.619 6 D N -0.521 119.756 120.400 -0.205 0.000 2.123 6 D HA -0.193 4.448 4.640 0.001 0.000 0.196 6 D C 1.831 177.908 176.300 -0.372 0.000 0.992 6 D CA 1.732 55.524 54.000 -0.346 0.000 0.833 6 D CB -0.384 40.204 40.800 -0.354 0.000 0.954 6 D HN 0.368 nan 8.370 nan 0.000 0.455 7 S N 0.030 115.593 115.700 -0.229 0.000 2.359 7 S HA -0.216 4.254 4.470 0.001 0.000 0.223 7 S C 1.826 176.361 174.600 -0.108 0.000 1.039 7 S CA 1.356 59.469 58.200 -0.145 0.000 1.042 7 S CB -0.015 63.105 63.200 -0.134 0.000 0.915 7 S HN 0.039 nan 8.310 nan 0.000 0.439 8 K N 1.428 121.734 120.400 -0.158 0.000 2.002 8 K HA -0.007 4.313 4.320 0.001 0.000 0.209 8 K C 2.128 178.738 176.600 0.016 0.000 1.048 8 K CA 1.311 57.539 56.287 -0.098 0.000 0.930 8 K CB -0.628 31.748 32.500 -0.207 0.000 0.714 8 K HN 0.522 nan 8.250 nan 0.000 0.438 9 K N -0.026 120.353 120.400 -0.036 0.000 2.360 9 K HA -0.148 4.172 4.320 0.001 0.000 0.201 9 K C 1.376 178.140 176.600 0.272 0.000 1.046 9 K CA 1.034 57.341 56.287 0.033 0.000 0.940 9 K CB -0.104 32.390 32.500 -0.011 0.000 0.748 9 K HN 0.197 nan 8.250 nan 0.000 0.465 10 Y N 0.054 120.328 120.300 -0.042 0.000 2.481 10 Y HA 0.204 4.755 4.550 0.001 0.000 0.247 10 Y C 1.657 177.580 175.900 0.039 0.000 1.151 10 Y CA -0.709 57.383 58.100 -0.013 0.000 1.238 10 Y CB -0.097 38.362 38.460 -0.002 0.000 1.179 10 Y HN -0.096 nan 8.280 nan 0.000 0.524 11 L N -0.225 121.116 121.223 0.196 0.000 2.275 11 L HA -0.201 4.139 4.340 0.001 0.000 0.215 11 L C 2.398 179.395 176.870 0.212 0.000 1.119 11 L CA 1.222 56.168 54.840 0.176 0.000 0.790 11 L CB -0.222 41.885 42.059 0.081 0.000 0.919 11 L HN 0.067 nan 8.230 nan 0.000 0.443 12 K N 0.786 121.275 120.400 0.148 0.000 2.152 12 K HA -0.212 4.109 4.320 0.001 0.000 0.206 12 K C 1.734 178.361 176.600 0.045 0.000 1.048 12 K CA 1.383 57.687 56.287 0.029 0.000 0.933 12 K CB 0.058 32.416 32.500 -0.238 0.000 0.721 12 K HN 0.359 nan 8.250 nan 0.000 0.447 13 E N 0.129 120.345 120.200 0.027 0.000 2.409 13 E HA -0.149 4.202 4.350 0.001 0.000 0.198 13 E C 1.688 178.320 176.600 0.052 0.000 1.024 13 E CA 0.289 56.688 56.400 -0.002 0.000 0.861 13 E CB 0.146 29.808 29.700 -0.064 0.000 0.788 13 E HN 0.343 nan 8.360 nan 0.000 0.521 14 Q N 0.677 120.546 119.800 0.115 0.000 2.368 14 Q HA -0.146 4.194 4.340 0.001 0.000 0.210 14 Q C 0.491 176.555 176.000 0.106 0.000 0.982 14 Q CA 0.448 56.325 55.803 0.122 0.000 0.884 14 Q CB -0.363 28.488 28.738 0.188 0.000 0.933 14 Q HN 0.225 nan 8.270 nan 0.000 0.460 15 N N 0.724 119.493 118.700 0.114 0.000 2.686 15 N HA -0.178 4.563 4.740 0.001 0.000 0.261 15 N C -0.875 174.713 175.510 0.130 0.000 1.001 15 N CA 0.216 53.337 53.050 0.118 0.000 0.764 15 N CB -0.853 37.681 38.487 0.079 0.000 0.898 15 N HN 0.161 nan 8.380 nan 0.000 0.544 16 I N 0.845 121.513 120.570 0.164 0.000 2.668 16 I HA -0.045 4.126 4.170 0.001 0.000 0.285 16 I C 1.130 177.331 176.117 0.139 0.000 1.168 16 I CA 0.510 61.898 61.300 0.147 0.000 1.424 16 I CB 0.116 38.215 38.000 0.165 0.000 1.377 16 I HN 0.335 nan 8.210 nan 0.000 0.560 17 N N 7.050 125.819 118.700 0.114 0.000 2.476 17 N HA 0.223 4.964 4.740 0.001 0.000 0.257 17 N C 0.775 176.352 175.510 0.112 0.000 0.970 17 N CA -0.450 52.666 53.050 0.109 0.000 0.938 17 N CB 1.404 39.950 38.487 0.099 0.000 1.144 17 N HN 0.486 nan 8.380 nan 0.000 0.500 18 L N 3.497 124.784 121.223 0.107 0.000 2.046 18 L HA -0.164 4.176 4.340 0.001 0.000 0.208 18 L C 2.256 179.247 176.870 0.201 0.000 1.077 18 L CA 1.306 56.236 54.840 0.149 0.000 0.747 18 L CB -0.197 41.914 42.059 0.086 0.000 0.896 18 L HN 0.519 nan 8.230 nan 0.000 0.432 19 K N -0.025 120.430 120.400 0.091 0.000 2.044 19 K HA -0.190 4.131 4.320 0.001 0.000 0.210 19 K C 1.957 178.685 176.600 0.213 0.000 1.049 19 K CA 1.744 58.122 56.287 0.153 0.000 0.927 19 K CB -0.266 32.355 32.500 0.202 0.000 0.713 19 K HN 0.264 nan 8.250 nan 0.000 0.443 20 N N 0.800 119.595 118.700 0.159 0.000 2.120 20 N HA -0.140 4.600 4.740 0.001 0.000 0.188 20 N C 1.608 177.190 175.510 0.120 0.000 1.024 20 N CA 1.042 54.169 53.050 0.129 0.000 0.852 20 N CB -0.146 38.400 38.487 0.099 0.000 1.003 20 N HN 0.189 nan 8.380 nan 0.000 0.424 21 E N 0.236 120.503 120.200 0.112 0.000 2.051 21 E HA -0.093 4.258 4.350 0.001 0.000 0.192 21 E C 1.942 178.537 176.600 -0.008 0.000 0.991 21 E CA 0.740 57.160 56.400 0.034 0.000 0.799 21 E CB -0.495 29.192 29.700 -0.022 0.000 0.748 21 E HN 0.379 nan 8.360 nan 0.000 0.449 22 F N 1.329 121.310 119.950 0.052 0.000 2.216 22 F HA -0.163 4.365 4.527 0.001 0.000 0.300 22 F C 2.270 178.109 175.800 0.065 0.000 1.085 22 F CA 1.419 59.452 58.000 0.055 0.000 1.326 22 F CB -0.244 38.785 39.000 0.049 0.000 1.027 22 F HN 0.035 nan 8.300 nan 0.000 0.497 23 D N -0.101 120.445 120.400 0.243 0.000 2.117 23 D HA -0.142 4.499 4.640 0.001 0.000 0.198 23 D C 1.984 178.345 176.300 0.101 0.000 0.982 23 D CA 1.246 55.343 54.000 0.161 0.000 0.828 23 D CB 0.126 41.013 40.800 0.146 0.000 0.967 23 D HN -0.148 nan 8.370 nan 0.000 0.464 24 K N -0.052 120.395 120.400 0.077 0.000 2.262 24 K HA 0.124 4.445 4.320 0.001 0.000 0.200 24 K C -0.163 176.449 176.600 0.021 0.000 1.049 24 K CA 0.310 56.624 56.287 0.045 0.000 0.979 24 K CB 0.138 32.662 32.500 0.040 0.000 0.773 24 K HN 0.091 nan 8.250 nan 0.000 0.474 25 D N 1.211 121.612 120.400 0.001 0.000 2.464 25 D HA 0.021 4.662 4.640 0.001 0.000 0.243 25 D C -0.188 176.087 176.300 -0.041 0.000 1.104 25 D CA -0.344 53.634 54.000 -0.036 0.000 0.883 25 D CB 0.753 41.510 40.800 -0.072 0.000 1.050 25 D HN 0.021 nan 8.370 nan 0.000 0.524 26 D N 2.296 122.685 120.400 -0.018 0.000 2.378 26 D HA -0.102 4.538 4.640 0.001 0.000 0.227 26 D C 0.446 176.725 176.300 -0.035 0.000 1.012 26 D CA 0.477 54.474 54.000 -0.005 0.000 0.905 26 D CB 0.109 40.914 40.800 0.009 0.000 0.895 26 D HN 0.277 nan 8.370 nan 0.000 0.532 27 K N -0.372 119.980 120.400 -0.079 0.000 2.399 27 K HA 0.239 4.559 4.320 0.001 0.000 0.204 27 K C 1.661 178.138 176.600 -0.205 0.000 1.023 27 K CA -0.359 55.857 56.287 -0.119 0.000 1.127 27 K CB 0.670 33.094 32.500 -0.127 0.000 0.856 27 K HN -0.074 nan 8.250 nan 0.000 0.514 28 R N 0.684 121.057 120.500 -0.211 0.000 2.083 28 R HA -0.145 4.195 4.340 0.001 0.000 0.237 28 R C 1.628 177.767 176.300 -0.269 0.000 1.137 28 R CA 1.615 57.526 56.100 -0.315 0.000 0.951 28 R CB -0.211 29.770 30.300 -0.531 0.000 0.851 28 R HN 0.020 nan 8.270 nan 0.000 0.434 29 V N 0.792 120.635 119.914 -0.117 0.000 2.307 29 V HA -0.203 3.917 4.120 0.001 0.000 0.245 29 V C 2.288 178.338 176.094 -0.073 0.000 1.045 29 V CA 2.107 64.396 62.300 -0.017 0.000 1.024 29 V CB -0.576 31.313 31.823 0.111 0.000 0.651 29 V HN 0.476 nan 8.190 nan 0.000 0.449 30 E N 0.336 120.483 120.200 -0.087 0.000 2.097 30 E HA -0.289 4.061 4.350 0.001 0.000 0.196 30 E C 2.247 178.740 176.600 -0.178 0.000 1.000 30 E CA 1.635 57.985 56.400 -0.083 0.000 0.804 30 E CB -0.033 29.623 29.700 -0.074 0.000 0.740 30 E HN 0.576 nan 8.360 nan 0.000 0.454 31 K N -0.737 119.428 120.400 -0.390 0.000 2.097 31 K HA -0.096 4.225 4.320 0.001 0.000 0.205 31 K C 0.563 176.777 176.600 -0.643 0.000 1.050 31 K CA 0.905 56.796 56.287 -0.661 0.000 0.938 31 K CB 0.074 31.795 32.500 -1.298 0.000 0.718 31 K HN 0.116 nan 8.250 nan 0.000 0.442 32 F N 0.685 120.444 119.950 -0.319 0.000 2.928 32 F HA 0.230 4.757 4.527 0.001 0.000 0.337 32 F C -0.133 175.121 175.800 -0.910 0.000 1.259 32 F CA -0.919 56.551 58.000 -0.883 0.000 1.267 32 F CB 0.247 38.721 39.000 -0.876 0.000 0.986 32 F HN -0.195 nan 8.300 nan 0.000 0.507 33 S N -0.157 115.436 115.700 -0.179 0.000 2.556 33 S HA 0.925 5.396 4.470 0.001 0.000 0.271 33 S C -1.218 173.533 174.600 0.251 0.000 1.135 33 S CA -0.721 57.488 58.200 0.016 0.000 0.858 33 S CB 2.412 65.585 63.200 -0.045 0.000 1.114 33 S HN 0.120 nan 8.310 nan 0.000 0.468 34 L N 0.947 122.369 121.223 0.331 0.000 2.415 34 L HA 0.722 5.063 4.340 0.001 0.000 0.256 34 L C -1.040 176.024 176.870 0.323 0.000 1.010 34 L CA -0.934 54.113 54.840 0.344 0.000 0.826 34 L CB 2.599 44.896 42.059 0.396 0.000 1.405 34 L HN 0.976 nan 8.230 nan 0.000 0.410 35 K N -0.038 120.533 120.400 0.285 0.000 2.371 35 K HA 0.609 4.930 4.320 0.001 0.000 0.251 35 K C -1.356 175.371 176.600 0.212 0.000 0.934 35 K CA -0.682 55.767 56.287 0.269 0.000 0.798 35 K CB 2.012 34.663 32.500 0.251 0.000 1.204 35 K HN 0.562 nan 8.250 nan 0.000 0.427 36 H N 2.748 121.847 119.070 0.048 0.000 2.860 36 H HA 0.269 4.826 4.556 0.001 0.000 0.312 36 H C -0.341 175.013 175.328 0.044 0.000 0.995 36 H CA 0.128 56.154 56.048 -0.037 0.000 1.311 36 H CB 0.726 30.322 29.762 -0.276 0.000 1.478 36 H HN 0.949 nan 8.280 nan 0.000 0.508 37 Q N 2.232 121.829 119.800 -0.339 0.000 2.146 37 Q HA -0.365 3.976 4.340 0.001 0.000 0.412 37 Q C 0.029 175.988 176.000 -0.068 0.000 0.668 37 Q CA 1.983 57.646 55.803 -0.233 0.000 0.931 37 Q CB -0.988 27.542 28.738 -0.346 0.000 2.824 37 Q HN 0.719 nan 8.270 nan 0.000 0.873 38 N N 0.676 119.359 118.700 -0.028 0.000 2.279 38 N HA 0.297 5.037 4.740 0.001 0.000 0.226 38 N C -0.548 175.027 175.510 0.109 0.000 1.126 38 N CA 0.307 53.385 53.050 0.046 0.000 0.846 38 N CB 0.258 38.771 38.487 0.043 0.000 1.050 38 N HN 0.239 nan 8.380 nan 0.000 0.502 39 I N 1.037 121.683 120.570 0.126 0.000 2.336 39 I HA 0.138 4.308 4.170 0.001 0.000 0.292 39 I C -0.676 175.610 176.117 0.280 0.000 0.991 39 I CA -0.872 60.549 61.300 0.202 0.000 1.227 39 I CB 0.847 38.966 38.000 0.198 0.000 1.366 39 I HN -0.030 nan 8.210 nan 0.000 0.466 40 Y N 7.871 128.269 120.300 0.163 0.000 2.331 40 Y HA 0.400 4.951 4.550 0.001 0.000 0.338 40 Y C -1.300 174.752 175.900 0.255 0.000 0.976 40 Y CA -1.293 56.914 58.100 0.178 0.000 1.137 40 Y CB 1.096 39.626 38.460 0.117 0.000 1.172 40 Y HN 0.405 nan 8.280 nan 0.000 0.478 41 F N 7.303 127.121 119.950 -0.221 0.000 2.325 41 F HA 0.337 4.864 4.527 0.001 0.000 0.369 41 F C -0.945 174.667 175.800 -0.313 0.000 1.095 41 F CA -0.898 57.005 58.000 -0.163 0.000 1.082 41 F CB 0.414 39.418 39.000 0.006 0.000 1.289 41 F HN 0.512 nan 8.300 nan 0.000 0.462 42 D N 5.541 125.505 120.400 -0.727 0.000 2.454 42 D HA 0.111 4.752 4.640 0.001 0.000 0.225 42 D C -0.203 175.844 176.300 -0.420 0.000 1.081 42 D CA -0.351 53.298 54.000 -0.584 0.000 0.864 42 D CB 0.296 40.806 40.800 -0.485 0.000 1.040 42 D HN 0.577 nan 8.370 nan 0.000 0.517 43 Y N 1.569 121.596 120.300 -0.456 0.000 2.607 43 Y HA 0.229 4.779 4.550 0.001 0.000 0.266 43 Y C 1.468 177.331 175.900 -0.061 0.000 1.178 43 Y CA -0.176 57.739 58.100 -0.308 0.000 1.226 43 Y CB -0.156 38.115 38.460 -0.315 0.000 1.144 43 Y HN 0.210 nan 8.280 nan 0.000 0.528 44 S N 0.182 115.804 115.700 -0.130 0.000 2.489 44 S HA -0.043 4.427 4.470 0.001 0.000 0.228 44 S C 1.187 175.895 174.600 0.181 0.000 0.995 44 S CA 0.237 58.436 58.200 -0.002 0.000 0.934 44 S CB -0.280 62.987 63.200 0.111 0.000 0.771 44 S HN 0.551 nan 8.310 nan 0.000 0.522 45 K N 1.239 121.746 120.400 0.179 0.000 2.476 45 K HA 0.213 4.534 4.320 0.001 0.000 0.196 45 K C -0.421 176.256 176.600 0.128 0.000 1.025 45 K CA -0.134 56.258 56.287 0.175 0.000 1.138 45 K CB -0.247 32.287 32.500 0.058 0.000 0.860 45 K HN 0.439 nan 8.250 nan 0.000 0.515 46 N N 0.710 119.484 118.700 0.124 0.000 2.493 46 N HA 0.156 4.896 4.740 0.001 0.000 0.275 46 N C -0.373 175.236 175.510 0.166 0.000 1.186 46 N CA -0.371 52.798 53.050 0.199 0.000 0.978 46 N CB 0.861 39.498 38.487 0.250 0.000 1.184 46 N HN -0.024 nan 8.380 nan 0.000 0.487 47 L N 2.941 124.350 121.223 0.310 0.000 2.511 47 L HA 0.250 4.591 4.340 0.001 0.000 0.239 47 L C -0.295 176.710 176.870 0.225 0.000 1.400 47 L CA 0.058 55.072 54.840 0.289 0.000 1.226 47 L CB -1.367 40.934 42.059 0.404 0.000 1.475 47 L HN 0.416 nan 8.230 nan 0.000 0.428 48 I N -1.837 118.742 120.570 0.015 0.000 2.934 48 I HA 0.691 4.862 4.170 0.001 0.000 0.306 48 I C -0.896 175.095 176.117 -0.209 0.000 1.110 48 I CA -0.851 60.362 61.300 -0.146 0.000 1.019 48 I CB 2.299 40.103 38.000 -0.327 0.000 1.227 48 I HN 0.149 nan 8.210 nan 0.000 0.434 49 N N 0.999 119.629 118.700 -0.117 0.000 3.343 49 N HA 0.343 5.083 4.740 0.001 0.000 0.330 49 N C -0.102 175.509 175.510 0.168 0.000 1.560 49 N CA -0.586 52.488 53.050 0.040 0.000 0.752 49 N CB 0.091 38.651 38.487 0.122 0.000 1.863 49 N HN 0.583 nan 8.380 nan 0.000 0.636 50 D N -0.769 119.819 120.400 0.312 0.000 2.104 50 D HA -0.162 4.478 4.640 0.001 0.000 0.194 50 D C 1.367 177.789 176.300 0.203 0.000 0.994 50 D CA 1.511 55.683 54.000 0.286 0.000 0.830 50 D CB -0.411 40.509 40.800 0.200 0.000 0.959 50 D HN 0.547 nan 8.370 nan 0.000 0.452 51 Y N 1.398 121.729 120.300 0.051 0.000 2.181 51 Y HA -0.139 4.412 4.550 0.001 0.000 0.288 51 Y C 2.165 178.051 175.900 -0.023 0.000 1.146 51 Y CA 1.135 59.244 58.100 0.016 0.000 1.164 51 Y CB -0.452 38.017 38.460 0.014 0.000 0.982 51 Y HN -0.076 nan 8.280 nan 0.000 0.515 52 I N -0.777 119.702 120.570 -0.152 0.000 2.252 52 I HA -0.251 3.919 4.170 0.001 0.000 0.245 52 I C 2.275 178.198 176.117 -0.323 0.000 1.102 52 I CA 1.122 62.206 61.300 -0.360 0.000 1.385 52 I CB -0.459 37.376 38.000 -0.274 0.000 1.064 52 I HN 0.276 nan 8.210 nan 0.000 0.414 53 L N 0.981 122.106 121.223 -0.163 0.000 2.046 53 L HA -0.189 4.151 4.340 0.001 0.000 0.208 53 L C 2.306 179.136 176.870 -0.065 0.000 1.077 53 L CA 1.934 56.723 54.840 -0.086 0.000 0.747 53 L CB -0.539 41.576 42.059 0.094 0.000 0.896 53 L HN -0.028 nan 8.230 nan 0.000 0.432 54 K N -0.517 119.857 120.400 -0.044 0.000 2.097 54 K HA -0.029 4.292 4.320 0.001 0.000 0.206 54 K C 2.227 178.762 176.600 -0.108 0.000 1.049 54 K CA 1.479 57.745 56.287 -0.035 0.000 0.933 54 K CB -0.610 31.900 32.500 0.016 0.000 0.717 54 K HN 0.352 nan 8.250 nan 0.000 0.442 55 S N 0.832 116.390 115.700 -0.237 0.000 2.356 55 S HA -0.068 4.403 4.470 0.001 0.000 0.223 55 S C 1.881 176.362 174.600 -0.198 0.000 1.032 55 S CA 1.096 59.136 58.200 -0.266 0.000 1.005 55 S CB -0.302 62.628 63.200 -0.450 0.000 0.867 55 S HN 0.175 nan 8.310 nan 0.000 0.449 56 L N 1.038 122.131 121.223 -0.215 0.000 2.012 56 L HA -0.133 4.208 4.340 0.001 0.000 0.210 56 L C 2.305 179.150 176.870 -0.042 0.000 1.073 56 L CA 1.179 55.943 54.840 -0.126 0.000 0.748 56 L CB -0.688 41.276 42.059 -0.158 0.000 0.891 56 L HN 0.275 nan 8.230 nan 0.000 0.431 57 L N -0.523 120.678 121.223 -0.036 0.000 2.131 57 L HA -0.207 4.134 4.340 0.001 0.000 0.210 57 L C 2.534 179.429 176.870 0.041 0.000 1.092 57 L CA 1.167 56.020 54.840 0.022 0.000 0.759 57 L CB -0.451 41.639 42.059 0.052 0.000 0.903 57 L HN 0.287 nan 8.230 nan 0.000 0.435 58 E N -0.452 119.749 120.200 0.001 0.000 2.077 58 E HA -0.187 4.164 4.350 0.001 0.000 0.193 58 E C 2.319 178.924 176.600 0.008 0.000 0.989 58 E CA 1.460 57.861 56.400 0.002 0.000 0.800 58 E CB 0.002 29.684 29.700 -0.030 0.000 0.746 58 E HN 0.375 nan 8.360 nan 0.000 0.452 59 S N 0.642 116.338 115.700 -0.006 0.000 2.368 59 S HA -0.195 4.276 4.470 0.001 0.000 0.225 59 S C 2.104 176.733 174.600 0.047 0.000 1.030 59 S CA 1.021 59.236 58.200 0.024 0.000 0.999 59 S CB -0.224 63.008 63.200 0.054 0.000 0.844 59 S HN 0.397 nan 8.310 nan 0.000 0.459 60 A N 1.954 124.788 122.820 0.023 0.000 1.877 60 A HA -0.136 4.185 4.320 0.001 0.000 0.216 60 A C 2.072 179.717 177.584 0.102 0.000 1.186 60 A CA 1.320 53.318 52.037 -0.065 0.000 0.620 60 A CB -0.509 18.357 19.000 -0.224 0.000 0.822 60 A HN 0.365 nan 8.150 nan 0.000 0.443 61 E N -0.009 120.307 120.200 0.193 0.000 2.153 61 E HA -0.164 4.187 4.350 0.001 0.000 0.194 61 E C 1.644 178.304 176.600 0.100 0.000 0.988 61 E CA 1.126 57.646 56.400 0.199 0.000 0.811 61 E CB -0.205 29.559 29.700 0.106 0.000 0.746 61 E HN 0.386 nan 8.360 nan 0.000 0.466 62 K N 0.873 121.309 120.400 0.059 0.000 2.365 62 K HA 0.029 4.350 4.320 0.001 0.000 0.197 62 K C 1.341 177.959 176.600 0.031 0.000 1.042 62 K CA 0.138 56.444 56.287 0.032 0.000 0.987 62 K CB -0.350 32.159 32.500 0.014 0.000 0.779 62 K HN 0.113 nan 8.250 nan 0.000 0.484 63 S N -0.031 115.690 115.700 0.035 0.000 2.641 63 S HA 0.085 4.555 4.470 0.001 0.000 0.261 63 S C 1.210 175.822 174.600 0.020 0.000 1.257 63 S CA -0.042 58.166 58.200 0.015 0.000 0.983 63 S CB 1.055 64.240 63.200 -0.025 0.000 0.990 63 S HN 0.212 nan 8.310 nan 0.000 0.572 64 S N -0.111 115.592 115.700 0.005 0.000 2.650 64 S HA 0.019 4.489 4.470 0.001 0.000 0.219 64 S C 1.448 176.049 174.600 0.002 0.000 0.960 64 S CA 0.137 58.345 58.200 0.013 0.000 0.925 64 S CB -0.669 62.543 63.200 0.020 0.000 0.775 64 S HN 0.633 nan 8.310 nan 0.000 0.525 65 L N 2.464 123.670 121.223 -0.029 0.000 2.013 65 L HA -0.075 4.266 4.340 0.001 0.000 0.212 65 L C 2.466 179.364 176.870 0.047 0.000 1.073 65 L CA 2.070 56.860 54.840 -0.084 0.000 0.753 65 L CB -0.810 41.103 42.059 -0.244 0.000 0.890 65 L HN 0.399 nan 8.230 nan 0.000 0.432 66 K N -0.868 119.641 120.400 0.182 0.000 2.032 66 K HA -0.277 4.043 4.320 0.001 0.000 0.209 66 K C 1.935 178.554 176.600 0.032 0.000 1.048 66 K CA 2.161 58.522 56.287 0.124 0.000 0.927 66 K CB -0.359 32.155 32.500 0.023 0.000 0.712 66 K HN 0.448 nan 8.250 nan 0.000 0.441 67 D N 0.197 120.617 120.400 0.032 0.000 2.144 67 D HA -0.101 4.539 4.640 0.001 0.000 0.200 67 D C 1.714 178.053 176.300 0.066 0.000 0.978 67 D CA 1.027 55.045 54.000 0.030 0.000 0.833 67 D CB 0.221 41.037 40.800 0.026 0.000 0.961 67 D HN 0.084 nan 8.370 nan 0.000 0.470 68 K N 0.177 120.627 120.400 0.084 0.000 2.097 68 K HA -0.065 4.255 4.320 0.001 0.000 0.206 68 K C 2.279 179.070 176.600 0.319 0.000 1.049 68 K CA 0.499 56.891 56.287 0.175 0.000 0.933 68 K CB -0.330 32.244 32.500 0.122 0.000 0.717 68 K HN 0.364 nan 8.250 nan 0.000 0.442 69 I N 1.200 121.912 120.570 0.236 0.000 2.179 69 I HA -0.307 3.864 4.170 0.001 0.000 0.242 69 I C 2.314 178.578 176.117 0.245 0.000 1.088 69 I CA 1.416 62.893 61.300 0.296 0.000 1.357 69 I CB -0.224 37.752 38.000 -0.040 0.000 1.051 69 I HN 0.140 nan 8.210 nan 0.000 0.409 70 K N 0.402 120.864 120.400 0.104 0.000 2.057 70 K HA -0.227 4.093 4.320 0.001 0.000 0.207 70 K C 2.190 178.841 176.600 0.085 0.000 1.049 70 K CA 1.491 57.816 56.287 0.063 0.000 0.931 70 K CB -0.201 32.299 32.500 -0.000 0.000 0.714 70 K HN 0.405 nan 8.250 nan 0.000 0.440 71 Q N 0.383 120.232 119.800 0.082 0.000 2.084 71 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 71 Q C 2.157 178.154 176.000 -0.004 0.000 0.978 71 Q CA 1.563 57.394 55.803 0.047 0.000 0.844 71 Q CB -0.120 28.660 28.738 0.069 0.000 0.898 71 Q HN 0.365 nan 8.270 nan 0.000 0.426 72 M N -0.219 119.378 119.600 -0.005 0.000 2.067 72 M HA -0.196 4.285 4.480 0.001 0.000 0.260 72 M C 1.420 177.530 176.300 -0.317 0.000 1.069 72 M CA 1.731 56.876 55.300 -0.258 0.000 1.117 72 M CB -0.059 32.235 32.600 -0.509 0.000 1.334 72 M HN 0.134 nan 8.290 nan 0.000 0.407 73 F N 0.853 120.691 119.950 -0.187 0.000 2.234 73 F HA -0.122 4.406 4.527 0.001 0.000 0.299 73 F C 1.938 177.624 175.800 -0.190 0.000 1.087 73 F CA 1.093 58.976 58.000 -0.195 0.000 1.340 73 F CB -0.509 38.400 39.000 -0.151 0.000 1.031 73 F HN 0.307 nan 8.300 nan 0.000 0.500 74 N N -0.226 118.478 118.700 0.007 0.000 2.467 74 N HA 0.058 4.798 4.740 0.001 0.000 0.184 74 N C 1.568 177.006 175.510 -0.120 0.000 1.106 74 N CA 1.060 54.079 53.050 -0.051 0.000 0.892 74 N CB 0.003 38.473 38.487 -0.028 0.000 0.969 74 N HN 0.289 nan 8.380 nan 0.000 0.454 75 G N -0.333 108.362 108.800 -0.174 0.000 2.137 75 G HA2 -0.231 3.729 3.960 0.001 0.000 0.237 75 G HA3 -0.231 3.729 3.960 0.001 0.000 0.237 75 G C 0.277 175.100 174.900 -0.127 0.000 1.002 75 G CA 0.214 45.184 45.100 -0.217 0.000 0.702 75 G HN 0.595 nan 8.290 nan 0.000 0.515 76 A N -0.242 122.530 122.820 -0.081 0.000 2.406 76 A HA 0.589 4.909 4.320 0.001 0.000 0.243 76 A C 0.896 178.470 177.584 -0.016 0.000 1.082 76 A CA 0.491 52.511 52.037 -0.028 0.000 0.786 76 A CB 0.279 19.279 19.000 -0.000 0.000 1.029 76 A HN 0.442 nan 8.150 nan 0.000 0.495 77 K N 1.989 122.408 120.400 0.031 0.000 2.480 77 K HA 0.145 4.465 4.320 0.001 0.000 0.241 77 K C 0.845 177.493 176.600 0.080 0.000 1.261 77 K CA 0.142 56.469 56.287 0.066 0.000 1.193 77 K CB -0.471 32.098 32.500 0.115 0.000 1.598 77 K HN 0.693 nan 8.250 nan 0.000 0.278 78 I N -2.319 118.283 120.570 0.053 0.000 2.830 78 I HA -0.072 4.099 4.170 0.001 0.000 0.263 78 I C 0.690 176.905 176.117 0.162 0.000 1.230 78 I CA 0.347 61.710 61.300 0.106 0.000 1.480 78 I CB -0.062 38.002 38.000 0.107 0.000 1.095 78 I HN 0.131 nan 8.210 nan 0.000 0.455 79 N N 2.241 121.019 118.700 0.130 0.000 2.605 79 N HA 0.024 4.765 4.740 0.001 0.000 0.258 79 N C 1.085 176.658 175.510 0.104 0.000 1.156 79 N CA 0.566 53.721 53.050 0.174 0.000 1.008 79 N CB 0.467 39.050 38.487 0.160 0.000 1.354 79 N HN 0.447 nan 8.380 nan 0.000 0.509 80 S N 0.867 116.630 115.700 0.104 0.000 2.436 80 S HA -0.126 4.345 4.470 0.001 0.000 0.228 80 S C 1.718 176.237 174.600 -0.135 0.000 1.014 80 S CA 1.174 59.399 58.200 0.043 0.000 0.950 80 S CB -0.536 62.724 63.200 0.099 0.000 0.784 80 S HN 0.580 nan 8.310 nan 0.000 0.504 81 T N -0.274 114.268 114.554 -0.020 0.000 3.043 81 T HA 0.178 4.528 4.350 0.001 0.000 0.263 81 T C 1.311 175.984 174.700 -0.045 0.000 1.094 81 T CA 0.619 62.725 62.100 0.011 0.000 1.127 81 T CB -0.312 68.762 68.868 0.343 0.000 0.905 81 T HN 0.529 nan 8.240 nan 0.000 0.490 82 E N 0.289 120.471 120.200 -0.030 0.000 2.498 82 E HA 0.088 4.439 4.350 0.001 0.000 0.203 82 E C -0.509 176.106 176.600 0.025 0.000 1.013 82 E CA -0.322 56.111 56.400 0.055 0.000 0.927 82 E CB 0.113 29.873 29.700 0.099 0.000 1.012 82 E HN 0.567 nan 8.360 nan 0.000 0.482 83 H N 0.387 119.557 119.070 0.166 0.000 2.677 83 H HA -0.166 4.391 4.556 0.001 0.000 0.321 83 H C -0.278 175.123 175.328 0.122 0.000 1.171 83 H CA 0.750 56.875 56.048 0.128 0.000 1.139 83 H CB -1.712 28.118 29.762 0.113 0.000 1.515 83 H HN 0.218 nan 8.280 nan 0.000 0.423 84 R N -0.374 120.223 120.500 0.162 0.000 2.750 84 R HA 0.723 5.063 4.340 0.001 0.000 0.281 84 R C 0.188 176.554 176.300 0.110 0.000 0.972 84 R CA -0.210 55.983 56.100 0.155 0.000 0.912 84 R CB 2.019 32.410 30.300 0.153 0.000 1.187 84 R HN 0.287 nan 8.270 nan 0.000 0.464 85 A N 1.472 124.356 122.820 0.108 0.000 2.346 85 A HA 0.408 4.728 4.320 0.001 0.000 0.252 85 A C -0.361 177.228 177.584 0.008 0.000 1.089 85 A CA -0.228 51.814 52.037 0.008 0.000 0.797 85 A CB 0.633 19.585 19.000 -0.079 0.000 1.047 85 A HN 0.395 nan 8.150 nan 0.000 0.494 86 V N 1.640 121.447 119.914 -0.178 0.000 2.439 86 V HA 0.285 4.406 4.120 0.001 0.000 0.277 86 V C -0.218 175.616 176.094 -0.432 0.000 1.008 86 V CA 0.124 62.236 62.300 -0.313 0.000 0.846 86 V CB 0.555 31.933 31.823 -0.743 0.000 1.031 86 V HN 0.733 nan 8.190 nan 0.000 0.441 87 L N 4.332 125.444 121.223 -0.185 0.000 3.347 87 L HA 0.267 4.608 4.340 0.001 0.000 0.306 87 L C 1.993 178.811 176.870 -0.087 0.000 1.301 87 L CA -0.226 54.412 54.840 -0.337 0.000 0.985 87 L CB 0.083 41.731 42.059 -0.685 0.000 1.400 87 L HN 0.812 nan 8.230 nan 0.000 0.601 88 H N -1.373 117.692 119.070 -0.008 0.000 2.426 88 H HA -0.165 4.391 4.556 0.001 0.000 0.298 88 H C 1.835 177.098 175.328 -0.108 0.000 1.107 88 H CA 1.794 57.884 56.048 0.070 0.000 1.298 88 H CB -0.937 28.894 29.762 0.116 0.000 1.377 88 H HN 0.436 nan 8.280 nan 0.000 0.519 89 T N -0.520 113.704 114.554 -0.551 0.000 2.759 89 T HA -0.059 4.292 4.350 0.001 0.000 0.269 89 T C 2.356 176.951 174.700 -0.175 0.000 1.042 89 T CA 1.466 63.330 62.100 -0.394 0.000 1.140 89 T CB -0.719 67.756 68.868 -0.656 0.000 0.864 89 T HN 0.516 nan 8.240 nan 0.000 0.455 90 A N 1.377 124.074 122.820 -0.204 0.000 2.067 90 A HA 0.248 4.569 4.320 0.001 0.000 0.219 90 A C 2.375 179.959 177.584 -0.001 0.000 1.158 90 A CA 0.882 52.833 52.037 -0.143 0.000 0.661 90 A CB -0.849 17.925 19.000 -0.377 0.000 0.801 90 A HN 0.577 nan 8.150 nan 0.000 0.452 91 L N -0.367 120.927 121.223 0.119 0.000 2.191 91 L HA -0.132 4.208 4.340 0.001 0.000 0.212 91 L C 2.413 179.391 176.870 0.180 0.000 1.103 91 L CA 1.408 56.403 54.840 0.258 0.000 0.769 91 L CB -0.301 42.011 42.059 0.422 0.000 0.908 91 L HN 0.547 nan 8.230 nan 0.000 0.438 92 R N -0.551 119.987 120.500 0.062 0.000 2.543 92 R HA 0.146 4.487 4.340 0.001 0.000 0.323 92 R C -0.261 176.062 176.300 0.038 0.000 1.002 92 R CA -0.300 55.818 56.100 0.029 0.000 1.106 92 R CB -0.558 29.682 30.300 -0.099 0.000 1.280 92 R HN 0.080 nan 8.270 nan 0.000 0.549 93 D N 1.199 121.618 120.400 0.032 0.000 2.455 93 D HA 0.011 4.651 4.640 0.001 0.000 0.241 93 D C 0.643 176.777 176.300 -0.276 0.000 1.138 93 D CA 0.155 54.142 54.000 -0.020 0.000 0.877 93 D CB 0.815 41.615 40.800 -0.001 0.000 1.187 93 D HN 0.208 nan 8.370 nan 0.000 0.451 94 L N 2.512 123.265 121.223 -0.783 0.000 2.966 94 L HA 0.075 4.415 4.340 0.001 0.000 0.262 94 L C 2.034 178.619 176.870 -0.474 0.000 1.165 94 L CA 0.075 54.498 54.840 -0.697 0.000 0.978 94 L CB 0.043 41.553 42.059 -0.916 0.000 1.337 94 L HN 0.502 nan 8.230 nan 0.000 0.563 95 S N -1.056 114.447 115.700 -0.328 0.000 2.406 95 S HA -0.130 4.341 4.470 0.001 0.000 0.228 95 S C 1.304 175.872 174.600 -0.054 0.000 1.020 95 S CA 0.774 58.937 58.200 -0.062 0.000 0.965 95 S CB -0.080 63.170 63.200 0.083 0.000 0.798 95 S HN 0.327 nan 8.310 nan 0.000 0.488 96 S N 1.228 116.888 115.700 -0.066 0.000 3.476 96 S HA -0.164 4.307 4.470 0.001 0.000 0.309 96 S C 0.495 175.075 174.600 -0.033 0.000 1.222 96 S CA 0.923 59.095 58.200 -0.047 0.000 0.922 96 S CB -2.828 60.348 63.200 -0.041 0.000 1.023 96 S HN 1.212 nan 8.310 nan 0.000 0.591 97 T N 0.204 114.742 114.554 -0.027 0.000 2.856 97 T HA 0.441 4.792 4.350 0.001 0.000 0.306 97 T C -2.397 172.279 174.700 -0.039 0.000 1.062 97 T CA -1.360 60.722 62.100 -0.029 0.000 1.083 97 T CB 0.078 68.930 68.868 -0.026 0.000 0.984 97 T HN 0.010 nan 8.240 nan 0.000 0.542 98 P HA 0.375 nan 4.420 nan 0.000 0.268 98 P C -0.980 176.283 177.300 -0.061 0.000 1.204 98 P CA -0.376 62.697 63.100 -0.045 0.000 0.768 98 P CB 0.251 31.929 31.700 -0.038 0.000 0.842 99 L N 5.023 126.199 121.223 -0.079 0.000 2.611 99 L HA 0.464 4.804 4.340 0.001 0.000 0.263 99 L C -1.537 175.257 176.870 -0.127 0.000 0.969 99 L CA -0.076 54.695 54.840 -0.115 0.000 0.894 99 L CB 0.822 42.788 42.059 -0.155 0.000 1.229 99 L HN 0.226 nan 8.230 nan 0.000 0.416 100 I N 5.546 126.051 120.570 -0.108 0.000 2.410 100 I HA 0.612 4.783 4.170 0.001 0.000 0.286 100 I C -0.902 175.155 176.117 -0.100 0.000 1.009 100 I CA -0.853 60.395 61.300 -0.088 0.000 1.111 100 I CB 1.950 39.920 38.000 -0.051 0.000 1.262 100 I HN 0.224 nan 8.210 nan 0.000 0.443 101 V N 4.760 124.605 119.914 -0.115 0.000 2.525 101 V HA 0.295 4.416 4.120 0.001 0.000 0.299 101 V C -0.444 175.640 176.094 -0.018 0.000 1.034 101 V CA -0.677 61.558 62.300 -0.109 0.000 0.863 101 V CB 1.649 33.325 31.823 -0.245 0.000 0.999 101 V HN 0.779 nan 8.190 nan 0.000 0.423 102 D N 4.235 124.645 120.400 0.016 0.000 2.697 102 D HA -0.190 4.450 4.640 0.001 0.000 0.235 102 D C 1.366 177.704 176.300 0.064 0.000 1.167 102 D CA 1.883 55.919 54.000 0.060 0.000 0.656 102 D CB -0.948 39.919 40.800 0.112 0.000 1.025 102 D HN 1.485 nan 8.370 nan 0.000 0.419 103 G N -0.583 108.238 108.800 0.036 0.000 2.212 103 G HA2 -0.359 3.602 3.960 0.001 0.000 0.266 103 G HA3 -0.359 3.602 3.960 0.001 0.000 0.266 103 G C 0.248 175.172 174.900 0.040 0.000 0.978 103 G CA 0.654 45.776 45.100 0.037 0.000 0.632 103 G HN 0.521 nan 8.290 nan 0.000 0.537 104 Q N 0.358 120.184 119.800 0.043 0.000 2.245 104 Q HA 0.417 4.758 4.340 0.001 0.000 0.256 104 Q C -1.062 174.932 176.000 -0.011 0.000 0.942 104 Q CA -0.783 55.047 55.803 0.044 0.000 0.896 104 Q CB 1.630 30.424 28.738 0.093 0.000 1.272 104 Q HN 0.216 nan 8.270 nan 0.000 0.442 105 D N 3.094 123.490 120.400 -0.006 0.000 2.374 105 D HA 0.033 4.673 4.640 0.001 0.000 0.240 105 D C 0.813 177.075 176.300 -0.064 0.000 1.229 105 D CA -0.165 53.815 54.000 -0.034 0.000 0.895 105 D CB 0.625 41.418 40.800 -0.011 0.000 1.046 105 D HN 0.450 nan 8.370 nan 0.000 0.498 106 I N 4.014 124.500 120.570 -0.141 0.000 2.286 106 I HA -0.212 3.959 4.170 0.001 0.000 0.248 106 I C 2.205 178.223 176.117 -0.164 0.000 1.115 106 I CA 0.718 61.875 61.300 -0.237 0.000 1.392 106 I CB -0.632 37.113 38.000 -0.424 0.000 1.065 106 I HN 0.378 nan 8.210 nan 0.000 0.418 107 R N 0.839 121.273 120.500 -0.109 0.000 2.073 107 R HA -0.133 4.207 4.340 0.001 0.000 0.234 107 R C 2.107 178.400 176.300 -0.011 0.000 1.134 107 R CA 1.126 57.191 56.100 -0.058 0.000 0.952 107 R CB -0.830 29.442 30.300 -0.046 0.000 0.850 107 R HN 0.544 nan 8.270 nan 0.000 0.433 108 Q N 0.333 120.133 119.800 -0.000 0.000 2.084 108 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 108 Q C 1.944 177.993 176.000 0.082 0.000 0.978 108 Q CA 1.000 56.827 55.803 0.040 0.000 0.844 108 Q CB 0.039 28.800 28.738 0.038 0.000 0.898 108 Q HN 0.322 nan 8.270 nan 0.000 0.426 109 E N 0.139 120.383 120.200 0.073 0.000 2.051 109 E HA -0.149 4.202 4.350 0.001 0.000 0.192 109 E C 2.213 178.957 176.600 0.240 0.000 0.991 109 E CA 1.023 57.527 56.400 0.173 0.000 0.799 109 E CB -0.206 29.527 29.700 0.055 0.000 0.748 109 E HN 0.161 nan 8.360 nan 0.000 0.449 110 V N 1.313 121.273 119.914 0.078 0.000 2.307 110 V HA -0.222 3.898 4.120 0.001 0.000 0.245 110 V C 2.441 178.683 176.094 0.247 0.000 1.045 110 V CA 2.136 64.550 62.300 0.190 0.000 1.024 110 V CB -0.830 31.049 31.823 0.092 0.000 0.651 110 V HN 0.284 nan 8.190 nan 0.000 0.449 111 T N -0.282 114.367 114.554 0.158 0.000 2.720 111 T HA -0.264 4.086 4.350 0.001 0.000 0.268 111 T C 1.941 176.734 174.700 0.155 0.000 1.037 111 T CA 1.996 64.183 62.100 0.144 0.000 1.144 111 T CB -0.228 68.695 68.868 0.091 0.000 0.864 111 T HN 0.500 nan 8.240 nan 0.000 0.444 112 K N 0.752 121.248 120.400 0.160 0.000 2.057 112 K HA -0.140 4.180 4.320 0.001 0.000 0.207 112 K C 2.165 178.870 176.600 0.175 0.000 1.049 112 K CA 1.229 57.604 56.287 0.146 0.000 0.931 112 K CB 0.037 32.625 32.500 0.146 0.000 0.714 112 K HN 0.115 nan 8.250 nan 0.000 0.440 113 E N 1.131 121.490 120.200 0.265 0.000 2.106 113 E HA -0.143 4.208 4.350 0.001 0.000 0.192 113 E C 1.871 178.610 176.600 0.233 0.000 0.984 113 E CA 1.158 57.723 56.400 0.275 0.000 0.806 113 E CB -0.010 29.913 29.700 0.373 0.000 0.750 113 E HN 0.368 nan 8.360 nan 0.000 0.458 114 K N 0.686 121.236 120.400 0.251 0.000 2.057 114 K HA -0.149 4.172 4.320 0.001 0.000 0.207 114 K C 2.307 178.896 176.600 -0.018 0.000 1.049 114 K CA 1.185 57.604 56.287 0.220 0.000 0.931 114 K CB -0.095 32.608 32.500 0.338 0.000 0.714 114 K HN 0.142 nan 8.250 nan 0.000 0.440 115 Q N 0.284 120.095 119.800 0.019 0.000 2.084 115 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 115 Q C 2.130 178.100 176.000 -0.050 0.000 0.978 115 Q CA 1.404 57.180 55.803 -0.045 0.000 0.844 115 Q CB -0.052 28.698 28.738 0.020 0.000 0.898 115 Q HN 0.259 nan 8.270 nan 0.000 0.426 116 R N -0.215 120.313 120.500 0.047 0.000 2.081 116 R HA -0.103 4.237 4.340 0.001 0.000 0.235 116 R C 2.328 178.691 176.300 0.105 0.000 1.131 116 R CA 1.372 57.552 56.100 0.133 0.000 0.960 116 R CB -0.344 30.101 30.300 0.242 0.000 0.856 116 R HN 0.100 nan 8.270 nan 0.000 0.436 117 V N 1.573 121.477 119.914 -0.017 0.000 2.358 117 V HA -0.250 3.871 4.120 0.001 0.000 0.246 117 V C 2.399 178.262 176.094 -0.385 0.000 1.047 117 V CA 1.704 63.867 62.300 -0.227 0.000 1.035 117 V CB -0.483 31.236 31.823 -0.173 0.000 0.658 117 V HN 0.319 nan 8.190 nan 0.000 0.452 118 K N 0.342 120.356 120.400 -0.643 0.000 2.063 118 K HA -0.279 4.041 4.320 0.001 0.000 0.208 118 K C 2.234 178.641 176.600 -0.321 0.000 1.048 118 K CA 2.146 57.949 56.287 -0.806 0.000 0.928 118 K CB -0.156 31.728 32.500 -1.027 0.000 0.713 118 K HN 0.600 nan 8.250 nan 0.000 0.442 119 E N 0.396 120.490 120.200 -0.178 0.000 2.077 119 E HA -0.211 4.140 4.350 0.001 0.000 0.193 119 E C 2.093 178.700 176.600 0.011 0.000 0.989 119 E CA 0.975 57.352 56.400 -0.039 0.000 0.800 119 E CB -0.083 29.636 29.700 0.031 0.000 0.746 119 E HN 0.288 nan 8.360 nan 0.000 0.452 120 L N 0.500 121.720 121.223 -0.004 0.000 1.994 120 L HA -0.151 4.189 4.340 0.001 0.000 0.208 120 L C 2.282 179.094 176.870 -0.098 0.000 1.071 120 L CA 1.489 56.340 54.840 0.019 0.000 0.745 120 L CB -0.588 41.421 42.059 -0.083 0.000 0.892 120 L HN 0.052 nan 8.230 nan 0.000 0.431 121 V N 0.053 119.777 119.914 -0.317 0.000 2.332 121 V HA -0.283 3.837 4.120 0.001 0.000 0.248 121 V C 2.666 178.703 176.094 -0.096 0.000 1.055 121 V CA 1.923 63.981 62.300 -0.403 0.000 1.038 121 V CB -0.783 30.717 31.823 -0.539 0.000 0.651 121 V HN 0.636 nan 8.190 nan 0.000 0.450 122 E N 0.893 121.059 120.200 -0.056 0.000 2.106 122 E HA -0.240 4.110 4.350 0.001 0.000 0.192 122 E C 2.184 178.824 176.600 0.067 0.000 0.984 122 E CA 1.739 58.147 56.400 0.014 0.000 0.806 122 E CB -0.349 29.356 29.700 0.009 0.000 0.750 122 E HN 0.566 nan 8.360 nan 0.000 0.458 123 K N -0.313 120.147 120.400 0.100 0.000 2.097 123 K HA -0.074 4.246 4.320 0.001 0.000 0.205 123 K C 1.875 178.604 176.600 0.216 0.000 1.050 123 K CA 1.357 57.752 56.287 0.180 0.000 0.938 123 K CB 0.037 32.700 32.500 0.271 0.000 0.718 123 K HN 0.097 nan 8.250 nan 0.000 0.442 124 V N 0.525 120.543 119.914 0.174 0.000 2.323 124 V HA -0.181 3.939 4.120 0.001 0.000 0.244 124 V C 2.262 178.425 176.094 0.116 0.000 1.041 124 V CA 1.304 63.680 62.300 0.127 0.000 1.025 124 V CB 0.015 31.865 31.823 0.045 0.000 0.656 124 V HN 0.139 nan 8.190 nan 0.000 0.451 125 V N 1.096 121.079 119.914 0.114 0.000 2.427 125 V HA -0.193 3.928 4.120 0.001 0.000 0.248 125 V C 2.656 178.798 176.094 0.080 0.000 1.051 125 V CA 2.164 64.519 62.300 0.091 0.000 1.048 125 V CB -0.688 31.184 31.823 0.081 0.000 0.666 125 V HN 0.757 nan 8.190 nan 0.000 0.456 126 S N 0.131 115.882 115.700 0.085 0.000 2.481 126 S HA 0.098 4.569 4.470 0.001 0.000 0.231 126 S C 1.747 176.396 174.600 0.082 0.000 0.996 126 S CA 0.994 59.240 58.200 0.077 0.000 0.942 126 S CB 0.088 63.332 63.200 0.074 0.000 0.768 126 S HN 1.234 nan 8.310 nan 0.000 0.520 127 G N 1.471 110.333 108.800 0.103 0.000 2.159 127 G HA2 -0.294 3.667 3.960 0.001 0.000 0.256 127 G HA3 -0.294 3.667 3.960 0.001 0.000 0.256 127 G C 0.905 175.875 174.900 0.117 0.000 0.977 127 G CA 0.340 45.505 45.100 0.108 0.000 0.652 127 G HN 0.533 nan 8.290 nan 0.000 0.531 128 R N -1.412 119.165 120.500 0.128 0.000 2.092 128 R HA -0.003 4.338 4.340 0.001 0.000 0.231 128 R C 1.316 177.703 176.300 0.145 0.000 1.119 128 R CA 0.858 57.027 56.100 0.115 0.000 0.970 128 R CB 0.042 30.404 30.300 0.104 0.000 0.864 128 R HN 0.449 nan 8.270 nan 0.000 0.440 129 W N 2.926 124.238 121.300 0.020 0.000 2.368 129 W HA 0.097 4.758 4.660 0.001 0.000 0.316 129 W C -0.522 175.990 176.519 -0.012 0.000 1.375 129 W CA 0.071 57.416 57.345 0.000 0.000 1.261 129 W CB 0.449 29.903 29.460 -0.010 0.000 1.298 129 W HN -0.029 nan 8.180 nan 0.000 0.539 130 R N 3.517 124.047 120.500 0.050 0.000 2.803 130 R HA 0.495 4.835 4.340 0.001 0.000 0.276 130 R C 0.479 176.810 176.300 0.051 0.000 0.978 130 R CA -0.711 55.448 56.100 0.099 0.000 0.939 130 R CB 0.988 31.295 30.300 0.012 0.000 1.179 130 R HN 0.636 nan 8.270 nan 0.000 0.472 131 G N 0.314 109.193 108.800 0.131 0.000 2.683 131 G HA2 0.006 3.966 3.960 0.001 0.000 0.260 131 G HA3 0.006 3.966 3.960 0.001 0.000 0.260 131 G C 0.427 175.422 174.900 0.159 0.000 1.238 131 G CA -0.315 44.823 45.100 0.063 0.000 0.934 131 G HN 0.530 nan 8.290 nan 0.000 0.534 132 F N 0.568 120.617 119.950 0.166 0.000 2.269 132 F HA -0.090 4.438 4.527 0.001 0.000 0.301 132 F C 2.706 178.563 175.800 0.095 0.000 1.082 132 F CA 1.840 59.831 58.000 -0.015 0.000 1.360 132 F CB 0.082 38.853 39.000 -0.382 0.000 1.041 132 F HN 0.339 nan 8.300 nan 0.000 0.512 133 S N -0.940 114.936 115.700 0.292 0.000 2.605 133 S HA 0.363 4.834 4.470 0.001 0.000 0.217 133 S C 1.518 176.156 174.600 0.063 0.000 0.958 133 S CA 0.262 58.554 58.200 0.154 0.000 0.919 133 S CB -0.255 63.131 63.200 0.310 0.000 0.780 133 S HN 0.784 nan 8.310 nan 0.000 0.507 134 G N 0.839 109.670 108.800 0.052 0.000 2.141 134 G HA2 -0.211 3.750 3.960 0.001 0.000 0.231 134 G HA3 -0.211 3.750 3.960 0.001 0.000 0.231 134 G C -0.160 174.777 174.900 0.061 0.000 0.984 134 G CA -0.138 44.975 45.100 0.021 0.000 0.660 134 G HN 0.570 nan 8.290 nan 0.000 0.525 135 K N 0.363 120.830 120.400 0.111 0.000 2.098 135 K HA 0.469 4.790 4.320 0.001 0.000 0.261 135 K C 0.496 177.170 176.600 0.124 0.000 0.987 135 K CA -0.731 55.620 56.287 0.108 0.000 0.916 135 K CB 1.480 34.049 32.500 0.116 0.000 1.039 135 K HN 0.142 nan 8.250 nan 0.000 0.455 136 K N 2.409 122.869 120.400 0.100 0.000 2.382 136 K HA 0.049 4.370 4.320 0.001 0.000 0.275 136 K C -0.039 176.621 176.600 0.101 0.000 1.009 136 K CA -0.419 55.930 56.287 0.104 0.000 0.970 136 K CB 0.455 33.001 32.500 0.077 0.000 0.934 136 K HN 0.369 nan 8.250 nan 0.000 0.479 137 I N 3.778 124.404 120.570 0.094 0.000 2.529 137 I HA -0.040 4.131 4.170 0.001 0.000 0.284 137 I C 1.580 177.703 176.117 0.008 0.000 1.082 137 I CA 0.429 61.751 61.300 0.037 0.000 1.406 137 I CB 0.893 38.860 38.000 -0.055 0.000 1.405 137 I HN 0.866 nan 8.210 nan 0.000 0.548 138 T N 0.134 114.689 114.554 0.002 0.000 2.958 138 T HA 0.283 4.634 4.350 0.001 0.000 0.256 138 T C 0.146 174.835 174.700 -0.017 0.000 0.983 138 T CA -0.187 61.915 62.100 0.002 0.000 0.924 138 T CB 0.242 69.125 68.868 0.026 0.000 1.136 138 T HN 0.483 nan 8.240 nan 0.000 0.506 139 D N 0.553 120.928 120.400 -0.041 0.000 2.819 139 D HA 0.586 5.227 4.640 0.001 0.000 0.232 139 D C -1.272 174.937 176.300 -0.152 0.000 1.160 139 D CA -0.612 53.372 54.000 -0.027 0.000 0.858 139 D CB 1.918 42.752 40.800 0.057 0.000 1.610 139 D HN 0.063 nan 8.370 nan 0.000 0.481 140 I N 1.883 122.337 120.570 -0.194 0.000 2.465 140 I HA 0.398 4.569 4.170 0.001 0.000 0.291 140 I C -0.667 175.292 176.117 -0.263 0.000 1.014 140 I CA -0.853 60.217 61.300 -0.384 0.000 1.093 140 I CB 1.599 39.227 38.000 -0.620 0.000 1.267 140 I HN 0.185 nan 8.210 nan 0.000 0.431 141 V N 5.697 125.429 119.914 -0.304 0.000 2.376 141 V HA 0.304 4.425 4.120 0.001 0.000 0.287 141 V C 0.078 175.991 176.094 -0.302 0.000 1.015 141 V CA -0.809 61.319 62.300 -0.287 0.000 0.834 141 V CB 1.613 33.266 31.823 -0.283 0.000 1.001 141 V HN 0.723 nan 8.190 nan 0.000 0.428 142 N N 4.408 122.886 118.700 -0.369 0.000 2.488 142 N HA 0.468 5.209 4.740 0.001 0.000 0.274 142 N C -0.799 174.636 175.510 -0.126 0.000 1.111 142 N CA -0.138 52.768 53.050 -0.239 0.000 0.974 142 N CB 0.690 39.023 38.487 -0.257 0.000 1.089 142 N HN 0.642 nan 8.380 nan 0.000 0.465 143 I N 2.759 123.285 120.570 -0.072 0.000 2.382 143 I HA 0.600 4.770 4.170 0.001 0.000 0.285 143 I C 0.571 176.666 176.117 -0.036 0.000 1.007 143 I CA -0.541 60.729 61.300 -0.049 0.000 1.142 143 I CB 1.353 39.329 38.000 -0.040 0.000 1.289 143 I HN 0.607 nan 8.210 nan 0.000 0.453 144 G N 5.971 114.758 108.800 -0.021 0.000 2.466 144 G HA2 0.600 4.560 3.960 0.001 0.000 0.291 144 G HA3 0.600 4.560 3.960 0.001 0.000 0.291 144 G C -2.095 172.791 174.900 -0.022 0.000 1.460 144 G CA -0.459 44.625 45.100 -0.027 0.000 0.791 144 G HN 0.477 nan 8.290 nan 0.000 0.505 145 I N -0.308 120.241 120.570 -0.036 0.000 2.969 145 I HA 0.662 4.833 4.170 0.001 0.000 0.307 145 I C 1.075 177.163 176.117 -0.048 0.000 1.149 145 I CA 0.731 62.006 61.300 -0.041 0.000 1.008 145 I CB 2.030 40.003 38.000 -0.044 0.000 1.232 145 I HN 1.888 nan 8.210 nan 0.000 0.435 146 G N 3.542 112.307 108.800 -0.058 0.000 2.596 146 G HA2 -0.340 3.620 3.960 0.001 0.000 0.304 146 G HA3 -0.340 3.620 3.960 0.001 0.000 0.304 146 G C 0.901 175.758 174.900 -0.072 0.000 1.189 146 G CA 0.463 45.522 45.100 -0.069 0.000 0.986 146 G HN 1.311 nan 8.290 nan 0.000 0.548 147 G N -0.537 108.222 108.800 -0.069 0.000 2.498 147 G HA2 0.149 4.110 3.960 0.001 0.000 0.219 147 G HA3 0.149 4.110 3.960 0.001 0.000 0.219 147 G C 1.718 176.593 174.900 -0.042 0.000 1.119 147 G CA 1.872 46.935 45.100 -0.061 0.000 0.766 147 G HN 1.192 nan 8.290 nan 0.000 0.552 148 S N -0.519 115.161 115.700 -0.033 0.000 2.631 148 S HA 0.159 4.629 4.470 0.001 0.000 0.217 148 S C 1.114 175.711 174.600 -0.005 0.000 0.958 148 S CA 0.743 58.934 58.200 -0.015 0.000 0.920 148 S CB 0.229 63.422 63.200 -0.012 0.000 0.776 148 S HN 0.642 nan 8.310 nan 0.000 0.517 149 D N 0.207 120.585 120.400 -0.037 0.000 2.954 149 D HA 0.192 4.833 4.640 0.001 0.000 0.266 149 D C 1.534 177.715 176.300 -0.198 0.000 1.277 149 D CA -0.132 53.836 54.000 -0.053 0.000 1.130 149 D CB -0.379 40.392 40.800 -0.049 0.000 1.440 149 D HN 0.138 nan 8.370 nan 0.000 0.427 150 L N 0.664 121.783 121.223 -0.173 0.000 2.027 150 L HA 0.134 4.475 4.340 0.001 0.000 0.206 150 L C 2.517 179.251 176.870 -0.227 0.000 1.074 150 L CA 1.615 56.329 54.840 -0.210 0.000 0.745 150 L CB -0.673 41.329 42.059 -0.095 0.000 0.898 150 L HN 0.269 nan 8.230 nan 0.000 0.433 151 G N 0.434 109.140 108.800 -0.156 0.000 2.459 151 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 151 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 151 G C -0.779 173.934 174.900 -0.312 0.000 1.183 151 G CA 0.732 45.675 45.100 -0.262 0.000 0.776 151 G HN 0.309 nan 8.290 nan 0.000 0.552 152 P HA -0.038 nan 4.420 nan 0.000 0.215 152 P C 1.764 178.794 177.300 -0.449 0.000 1.153 152 P CA 1.472 64.454 63.100 -0.196 0.000 0.853 152 P CB -0.008 31.705 31.700 0.020 0.000 0.788 153 K N -0.649 119.196 120.400 -0.926 0.000 2.026 153 K HA -0.147 4.173 4.320 0.001 0.000 0.208 153 K C 2.066 178.257 176.600 -0.682 0.000 1.048 153 K CA 1.402 56.875 56.287 -1.357 0.000 0.929 153 K CB -0.553 31.115 32.500 -1.387 0.000 0.713 153 K HN -0.018 nan 8.250 nan 0.000 0.439 154 M N 1.001 120.317 119.600 -0.474 0.000 2.117 154 M HA -0.129 4.351 4.480 0.001 0.000 0.262 154 M C 1.841 178.099 176.300 -0.069 0.000 1.065 154 M CA 1.525 56.728 55.300 -0.163 0.000 1.114 154 M CB -0.222 32.327 32.600 -0.084 0.000 1.361 154 M HN 0.070 nan 8.290 nan 0.000 0.408 155 V N -0.102 119.724 119.914 -0.147 0.000 2.379 155 V HA -0.205 3.915 4.120 0.001 0.000 0.245 155 V C 2.594 178.702 176.094 0.023 0.000 1.044 155 V CA 1.316 63.569 62.300 -0.079 0.000 1.036 155 V CB -0.691 31.047 31.823 -0.142 0.000 0.664 155 V HN 0.314 nan 8.190 nan 0.000 0.453 156 V N 0.298 120.232 119.914 0.033 0.000 2.287 156 V HA -0.290 3.831 4.120 0.001 0.000 0.248 156 V C 2.662 178.920 176.094 0.274 0.000 1.053 156 V CA 2.467 64.883 62.300 0.193 0.000 1.027 156 V CB -0.747 31.206 31.823 0.216 0.000 0.646 156 V HN 0.502 nan 8.190 nan 0.000 0.447 157 R N 0.971 121.563 120.500 0.153 0.000 2.066 157 R HA -0.060 4.280 4.340 0.001 0.000 0.232 157 R C 2.142 178.501 176.300 0.100 0.000 1.131 157 R CA 1.943 58.138 56.100 0.158 0.000 0.955 157 R CB -1.027 29.437 30.300 0.273 0.000 0.851 157 R HN 0.434 nan 8.270 nan 0.000 0.432 158 A N 0.086 122.965 122.820 0.099 0.000 1.972 158 A HA -0.006 4.314 4.320 0.001 0.000 0.219 158 A C 1.593 179.218 177.584 0.069 0.000 1.169 158 A CA 1.256 53.333 52.037 0.067 0.000 0.635 158 A CB -0.281 18.748 19.000 0.049 0.000 0.810 158 A HN 0.339 nan 8.150 nan 0.000 0.446 159 L N -0.632 120.657 121.223 0.110 0.000 2.928 159 L HA 0.160 4.500 4.340 0.001 0.000 0.246 159 L C 1.776 178.753 176.870 0.179 0.000 1.239 159 L CA -0.062 54.899 54.840 0.201 0.000 1.035 159 L CB -0.060 42.096 42.059 0.161 0.000 1.360 159 L HN 0.510 nan 8.230 nan 0.000 0.529 160 Q N 1.539 121.275 119.800 -0.107 0.000 2.152 160 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 160 Q C -0.648 175.081 176.000 -0.453 0.000 0.985 160 Q CA 1.854 57.302 55.803 -0.592 0.000 0.863 160 Q CB -0.319 28.155 28.738 -0.440 0.000 0.904 160 Q HN 0.353 nan 8.270 nan 0.000 0.422 161 P HA -0.123 nan 4.420 nan 0.000 0.225 161 P C -0.220 176.850 177.300 -0.384 0.000 1.148 161 P CA 1.099 63.944 63.100 -0.425 0.000 0.779 161 P CB -0.017 31.297 31.700 -0.643 0.000 0.780 162 Y N -2.746 117.542 120.300 -0.021 0.000 2.457 162 Y HA 0.104 4.655 4.550 0.001 0.000 0.263 162 Y C 1.024 177.028 175.900 0.175 0.000 1.164 162 Y CA -0.322 57.823 58.100 0.075 0.000 1.274 162 Y CB -0.920 37.591 38.460 0.084 0.000 1.097 162 Y HN 0.070 nan 8.280 nan 0.000 0.523 163 H N -0.029 119.102 119.070 0.101 0.000 3.034 163 H HA 0.052 4.608 4.556 0.001 0.000 0.324 163 H C 0.508 175.873 175.328 0.060 0.000 1.015 163 H CA 0.657 56.751 56.048 0.076 0.000 1.429 163 H CB 0.793 30.582 29.762 0.045 0.000 1.429 163 H HN 0.504 nan 8.280 nan 0.000 0.585 164 C N -0.218 119.179 119.300 0.162 0.000 3.981 164 C HA 0.099 4.560 4.460 0.001 0.000 0.306 164 C C 1.778 176.816 174.990 0.081 0.000 2.005 164 C CA 0.064 59.149 59.018 0.112 0.000 1.655 164 C CB -1.069 26.740 27.740 0.114 0.000 3.164 164 C HN 0.875 nan 8.230 nan 0.000 0.554 165 T N -3.479 111.114 114.554 0.065 0.000 3.086 165 T HA 0.185 4.536 4.350 0.001 0.000 0.250 165 T C 0.525 175.254 174.700 0.050 0.000 1.074 165 T CA 0.962 63.096 62.100 0.057 0.000 0.988 165 T CB -0.333 68.569 68.868 0.058 0.000 0.988 165 T HN 0.375 nan 8.240 nan 0.000 0.530 166 D N 0.517 120.944 120.400 0.046 0.000 3.079 166 D HA -0.119 4.522 4.640 0.001 0.000 0.214 166 D C -0.311 176.001 176.300 0.021 0.000 1.145 166 D CA 0.577 54.600 54.000 0.038 0.000 0.958 166 D CB -1.688 39.136 40.800 0.040 0.000 1.117 166 D HN 0.470 nan 8.370 nan 0.000 0.416 167 L N 0.077 121.302 121.223 0.004 0.000 2.334 167 L HA 0.376 4.717 4.340 0.001 0.000 0.275 167 L C 0.882 177.713 176.870 -0.065 0.000 1.036 167 L CA -0.616 54.203 54.840 -0.035 0.000 0.807 167 L CB 1.477 43.501 42.059 -0.059 0.000 1.231 167 L HN -0.318 nan 8.230 nan 0.000 0.438 168 K N 1.903 122.254 120.400 -0.080 0.000 2.183 168 K HA 0.550 4.871 4.320 0.001 0.000 0.274 168 K C -1.127 175.284 176.600 -0.314 0.000 1.009 168 K CA -0.618 55.565 56.287 -0.173 0.000 0.888 168 K CB 2.142 34.568 32.500 -0.123 0.000 1.078 168 K HN 0.236 nan 8.250 nan 0.000 0.459 169 V N 4.336 123.998 119.914 -0.420 0.000 2.417 169 V HA 0.274 4.394 4.120 0.001 0.000 0.291 169 V C -0.331 175.378 176.094 -0.642 0.000 1.024 169 V CA -0.795 61.231 62.300 -0.457 0.000 0.861 169 V CB 1.169 32.794 31.823 -0.330 0.000 0.985 169 V HN 0.746 nan 8.190 nan 0.000 0.436 170 H N 4.007 122.786 119.070 -0.486 0.000 2.622 170 H HA 0.545 5.101 4.556 0.001 0.000 0.363 170 H C -1.573 173.342 175.328 -0.689 0.000 1.151 170 H CA -0.552 55.268 56.048 -0.379 0.000 1.184 170 H CB 2.319 31.934 29.762 -0.245 0.000 1.643 170 H HN 0.478 nan 8.280 nan 0.000 0.531 171 F N 1.202 121.153 119.950 0.002 0.000 2.460 171 F HA 0.278 4.805 4.527 0.001 0.000 0.341 171 F C -0.010 175.750 175.800 -0.066 0.000 1.130 171 F CA -0.745 57.219 58.000 -0.059 0.000 0.962 171 F CB 1.640 40.580 39.000 -0.100 0.000 1.171 171 F HN 0.117 nan 8.300 nan 0.000 0.436 172 V N 3.182 123.109 119.914 0.023 0.000 2.435 172 V HA 0.505 4.626 4.120 0.001 0.000 0.290 172 V C 0.098 176.189 176.094 -0.004 0.000 1.030 172 V CA 0.096 62.381 62.300 -0.025 0.000 0.881 172 V CB 1.466 33.234 31.823 -0.092 0.000 0.983 172 V HN 0.957 nan 8.190 nan 0.000 0.445 173 S N 3.157 118.850 115.700 -0.013 0.000 4.198 173 S HA 0.151 4.622 4.470 0.001 0.000 0.202 173 S C 0.635 175.217 174.600 -0.031 0.000 1.124 173 S CA -0.195 57.994 58.200 -0.018 0.000 1.050 173 S CB -0.234 62.959 63.200 -0.012 0.000 1.401 173 S HN 0.535 nan 8.310 nan 0.000 0.589 174 N N 1.814 120.498 118.700 -0.028 0.000 2.345 174 N HA 0.049 4.790 4.740 0.001 0.000 0.243 174 N C 1.052 176.542 175.510 -0.033 0.000 1.246 174 N CA 0.648 53.681 53.050 -0.029 0.000 0.863 174 N CB 1.292 39.764 38.487 -0.024 0.000 1.096 174 N HN 0.250 nan 8.380 nan 0.000 0.446 175 V N 1.764 121.660 119.914 -0.030 0.000 2.626 175 V HA -0.151 3.969 4.120 0.001 0.000 0.252 175 V C 0.469 176.546 176.094 -0.029 0.000 1.067 175 V CA 1.149 63.432 62.300 -0.030 0.000 1.081 175 V CB -0.676 31.132 31.823 -0.024 0.000 0.686 175 V HN 0.744 nan 8.190 nan 0.000 0.468 176 D N 0.352 120.736 120.400 -0.026 0.000 2.502 176 D HA 0.038 4.679 4.640 0.001 0.000 0.249 176 D C 1.127 177.404 176.300 -0.038 0.000 1.188 176 D CA 0.806 54.791 54.000 -0.026 0.000 0.890 176 D CB 1.382 42.170 40.800 -0.021 0.000 1.140 176 D HN 0.352 nan 8.370 nan 0.000 0.505 177 A N 3.906 126.701 122.820 -0.041 0.000 2.172 177 A HA -0.164 4.156 4.320 0.001 0.000 0.216 177 A C 1.807 179.340 177.584 -0.084 0.000 1.154 177 A CA 1.307 53.307 52.037 -0.062 0.000 0.701 177 A CB -0.333 18.636 19.000 -0.052 0.000 0.789 177 A HN 0.728 nan 8.150 nan 0.000 0.465 178 D N -0.544 119.819 120.400 -0.062 0.000 2.158 178 D HA -0.180 4.460 4.640 0.001 0.000 0.197 178 D C 2.108 178.353 176.300 -0.093 0.000 0.995 178 D CA 1.726 55.685 54.000 -0.069 0.000 0.846 178 D CB 0.001 40.782 40.800 -0.032 0.000 0.941 178 D HN 0.361 nan 8.370 nan 0.000 0.456 179 S N -1.197 114.458 115.700 -0.075 0.000 2.348 179 S HA -0.147 4.323 4.470 0.001 0.000 0.221 179 S C 1.851 176.378 174.600 -0.123 0.000 1.033 179 S CA 1.060 59.216 58.200 -0.072 0.000 1.010 179 S CB -0.523 62.648 63.200 -0.048 0.000 0.891 179 S HN 0.344 nan 8.310 nan 0.000 0.442 180 L N 1.669 122.805 121.223 -0.146 0.000 2.046 180 L HA 0.043 4.384 4.340 0.001 0.000 0.208 180 L C 2.135 178.817 176.870 -0.314 0.000 1.077 180 L CA 1.703 56.415 54.840 -0.213 0.000 0.747 180 L CB -0.666 41.281 42.059 -0.187 0.000 0.896 180 L HN 0.397 nan 8.230 nan 0.000 0.432 181 L N -0.949 120.078 121.223 -0.326 0.000 2.083 181 L HA -0.198 4.143 4.340 0.001 0.000 0.209 181 L C 2.655 179.151 176.870 -0.622 0.000 1.083 181 L CA 0.720 55.224 54.840 -0.560 0.000 0.752 181 L CB -0.666 41.064 42.059 -0.548 0.000 0.899 181 L HN 0.341 nan 8.230 nan 0.000 0.433 182 Q N -0.204 119.401 119.800 -0.324 0.000 2.181 182 Q HA -0.166 4.174 4.340 0.001 0.000 0.205 182 Q C 2.350 178.251 176.000 -0.165 0.000 0.980 182 Q CA 1.757 57.461 55.803 -0.166 0.000 0.862 182 Q CB -0.439 28.267 28.738 -0.053 0.000 0.905 182 Q HN 0.560 nan 8.270 nan 0.000 0.429 183 A N 0.587 123.254 122.820 -0.254 0.000 1.855 183 A HA -0.040 4.280 4.320 0.001 0.000 0.213 183 A C 2.226 179.539 177.584 -0.451 0.000 1.195 183 A CA 0.721 52.532 52.037 -0.376 0.000 0.610 183 A CB -0.650 18.121 19.000 -0.382 0.000 0.837 183 A HN 0.301 nan 8.150 nan 0.000 0.444 184 L N -1.004 119.909 121.223 -0.517 0.000 2.131 184 L HA -0.222 4.119 4.340 0.001 0.000 0.210 184 L C 2.381 179.140 176.870 -0.186 0.000 1.092 184 L CA 1.491 55.980 54.840 -0.585 0.000 0.759 184 L CB -0.892 40.680 42.059 -0.810 0.000 0.903 184 L HN 0.555 nan 8.230 nan 0.000 0.435 185 H N -0.870 118.098 119.070 -0.171 0.000 2.489 185 H HA -0.079 4.478 4.556 0.001 0.000 0.293 185 H C 1.709 177.004 175.328 -0.056 0.000 1.066 185 H CA 1.138 57.141 56.048 -0.076 0.000 1.305 185 H CB 0.374 30.102 29.762 -0.057 0.000 1.386 185 H HN 0.337 nan 8.280 nan 0.000 0.551 186 V N -1.555 118.369 119.914 0.017 0.000 3.346 186 V HA 0.228 4.348 4.120 0.001 0.000 0.309 186 V C 0.349 176.414 176.094 -0.048 0.000 1.457 186 V CA -0.220 62.080 62.300 -0.000 0.000 1.069 186 V CB 0.085 31.925 31.823 0.029 0.000 0.944 186 V HN 0.106 nan 8.190 nan 0.000 0.449 187 V N -2.255 117.612 119.914 -0.079 0.000 2.864 187 V HA 0.790 4.910 4.120 0.001 0.000 0.314 187 V C -1.253 174.923 176.094 0.137 0.000 1.073 187 V CA -0.468 61.813 62.300 -0.033 0.000 0.956 187 V CB 2.162 33.880 31.823 -0.175 0.000 1.023 187 V HN 0.244 nan 8.190 nan 0.000 0.435 188 D N 3.383 123.840 120.400 0.095 0.000 2.256 188 D HA 0.529 5.170 4.640 0.001 0.000 0.240 188 D C -1.832 174.415 176.300 -0.089 0.000 1.062 188 D CA -2.263 51.733 54.000 -0.006 0.000 0.832 188 D CB 2.601 43.364 40.800 -0.062 0.000 1.135 188 D HN 0.368 nan 8.370 nan 0.000 0.484 189 P HA -0.111 nan 4.420 nan 0.000 0.219 189 P C 0.628 177.621 177.300 -0.511 0.000 1.146 189 P CA 1.022 63.650 63.100 -0.787 0.000 0.808 189 P CB 0.423 31.262 31.700 -1.434 0.000 0.779 190 E N -0.713 119.236 120.200 -0.417 0.000 2.358 190 E HA -0.039 4.311 4.350 0.001 0.000 0.195 190 E C 0.883 177.621 176.600 0.230 0.000 1.010 190 E CA 1.307 57.685 56.400 -0.037 0.000 0.856 190 E CB -0.285 29.376 29.700 -0.064 0.000 0.795 190 E HN 0.386 nan 8.360 nan 0.000 0.504 191 T N -2.140 112.486 114.554 0.121 0.000 3.288 191 T HA 0.164 4.514 4.350 0.001 0.000 0.293 191 T C 0.160 174.928 174.700 0.112 0.000 1.008 191 T CA -0.498 61.686 62.100 0.139 0.000 0.929 191 T CB 0.625 69.534 68.868 0.069 0.000 1.152 191 T HN -0.235 nan 8.240 nan 0.000 0.517 192 T N 2.725 117.376 114.554 0.162 0.000 2.807 192 T HA 0.659 5.009 4.350 0.001 0.000 0.279 192 T C -1.191 173.577 174.700 0.112 0.000 0.993 192 T CA -0.646 61.505 62.100 0.085 0.000 0.970 192 T CB 1.923 70.854 68.868 0.104 0.000 0.950 192 T HN 0.239 nan 8.240 nan 0.000 0.441 193 L N 4.369 125.515 121.223 -0.128 0.000 2.296 193 L HA 0.655 4.996 4.340 0.001 0.000 0.286 193 L C -1.427 175.237 176.870 -0.343 0.000 1.023 193 L CA -0.589 54.090 54.840 -0.268 0.000 0.812 193 L CB 0.633 42.362 42.059 -0.550 0.000 1.223 193 L HN 0.538 nan 8.230 nan 0.000 0.421 194 L N 6.196 127.189 121.223 -0.382 0.000 2.317 194 L HA 0.544 4.885 4.340 0.001 0.000 0.281 194 L C -0.510 176.212 176.870 -0.245 0.000 1.024 194 L CA -0.080 54.511 54.840 -0.416 0.000 0.810 194 L CB 1.581 43.190 42.059 -0.750 0.000 1.240 194 L HN 0.486 nan 8.230 nan 0.000 0.427 195 I N 4.182 124.656 120.570 -0.159 0.000 2.362 195 I HA 0.363 4.534 4.170 0.001 0.000 0.289 195 I C -0.478 175.648 176.117 0.015 0.000 0.994 195 I CA -0.338 60.933 61.300 -0.048 0.000 1.158 195 I CB 1.470 39.417 38.000 -0.088 0.000 1.315 195 I HN 0.428 nan 8.210 nan 0.000 0.451 196 I N 6.286 126.910 120.570 0.091 0.000 2.291 196 I HA 0.350 4.521 4.170 0.001 0.000 0.290 196 I C 0.493 176.655 176.117 0.074 0.000 1.050 196 I CA -0.230 61.095 61.300 0.041 0.000 1.245 196 I CB 1.014 38.994 38.000 -0.032 0.000 1.405 196 I HN 0.603 nan 8.210 nan 0.000 0.478 197 A N 4.929 127.761 122.820 0.020 0.000 2.366 197 A HA 0.588 4.908 4.320 0.001 0.000 0.322 197 A C 0.059 177.653 177.584 0.017 0.000 1.397 197 A CA -0.205 51.852 52.037 0.034 0.000 0.984 197 A CB 0.486 19.497 19.000 0.019 0.000 1.149 197 A HN 0.570 nan 8.150 nan 0.000 0.540 198 S N 2.235 117.979 115.700 0.074 0.000 2.614 198 S HA 0.230 4.700 4.470 0.001 0.000 0.259 198 S C 0.698 175.375 174.600 0.128 0.000 1.118 198 S CA -0.525 57.707 58.200 0.054 0.000 1.065 198 S CB 0.703 63.861 63.200 -0.071 0.000 1.121 198 S HN 0.791 nan 8.310 nan 0.000 0.458 199 K N 2.535 122.967 120.400 0.053 0.000 2.034 199 K HA -0.139 4.181 4.320 0.001 0.000 0.214 199 K C 1.949 178.582 176.600 0.055 0.000 1.051 199 K CA 2.565 58.868 56.287 0.026 0.000 0.931 199 K CB -0.333 32.168 32.500 0.002 0.000 0.715 199 K HN 0.676 nan 8.250 nan 0.000 0.446 200 S N -0.808 114.930 115.700 0.063 0.000 2.446 200 S HA -0.075 4.396 4.470 0.001 0.000 0.225 200 S C 0.940 175.645 174.600 0.175 0.000 1.016 200 S CA 0.583 58.831 58.200 0.080 0.000 0.943 200 S CB -0.323 62.901 63.200 0.040 0.000 0.786 200 S HN 0.444 nan 8.310 nan 0.000 0.508 201 F N 1.914 121.843 119.950 -0.035 0.000 3.034 201 F HA -0.238 4.289 4.527 0.001 0.000 0.286 201 F C 0.917 176.706 175.800 -0.018 0.000 0.804 201 F CA 0.695 58.674 58.000 -0.035 0.000 1.161 201 F CB -1.686 37.290 39.000 -0.040 0.000 1.317 201 F HN 0.506 nan 8.300 nan 0.000 0.453 202 S N -2.399 113.306 115.700 0.007 0.000 3.073 202 S HA 0.332 4.803 4.470 0.001 0.000 0.252 202 S C 0.144 174.725 174.600 -0.031 0.000 0.953 202 S CA 0.014 58.212 58.200 -0.004 0.000 1.105 202 S CB 0.358 63.582 63.200 0.040 0.000 1.070 202 S HN 0.120 nan 8.310 nan 0.000 0.574 203 T N 3.348 117.861 114.554 -0.067 0.000 2.794 203 T HA 0.238 4.588 4.350 0.001 0.000 0.296 203 T C 1.009 175.672 174.700 -0.062 0.000 0.949 203 T CA -0.323 61.742 62.100 -0.057 0.000 1.101 203 T CB 1.088 69.915 68.868 -0.067 0.000 0.905 203 T HN 0.190 nan 8.240 nan 0.000 0.516 204 E N 3.022 123.199 120.200 -0.039 0.000 2.077 204 E HA -0.147 4.204 4.350 0.001 0.000 0.193 204 E C 1.893 178.468 176.600 -0.041 0.000 0.989 204 E CA 1.351 57.731 56.400 -0.033 0.000 0.800 204 E CB 0.024 29.713 29.700 -0.018 0.000 0.746 204 E HN 0.700 nan 8.360 nan 0.000 0.452 205 E N 0.151 120.325 120.200 -0.043 0.000 2.051 205 E HA -0.117 4.234 4.350 0.001 0.000 0.192 205 E C 2.131 178.695 176.600 -0.059 0.000 0.991 205 E CA 1.768 58.141 56.400 -0.045 0.000 0.799 205 E CB -0.382 29.293 29.700 -0.041 0.000 0.748 205 E HN 0.152 nan 8.360 nan 0.000 0.449 206 T N 0.869 115.372 114.554 -0.084 0.000 2.857 206 T HA -0.036 4.315 4.350 0.001 0.000 0.266 206 T C 1.868 176.481 174.700 -0.145 0.000 1.048 206 T CA 0.602 62.629 62.100 -0.121 0.000 1.139 206 T CB -0.194 68.580 68.868 -0.157 0.000 0.874 206 T HN 0.023 nan 8.240 nan 0.000 0.455 207 L N 0.203 121.344 121.223 -0.137 0.000 1.989 207 L HA -0.121 4.219 4.340 0.001 0.000 0.211 207 L C 2.358 179.208 176.870 -0.033 0.000 1.071 207 L CA 1.114 55.893 54.840 -0.103 0.000 0.749 207 L CB -0.534 41.485 42.059 -0.067 0.000 0.890 207 L HN 0.202 nan 8.230 nan 0.000 0.431 208 L N -0.349 120.858 121.223 -0.026 0.000 2.046 208 L HA -0.194 4.146 4.340 0.001 0.000 0.208 208 L C 2.344 179.216 176.870 0.005 0.000 1.077 208 L CA 1.546 56.383 54.840 -0.005 0.000 0.747 208 L CB -0.950 41.102 42.059 -0.011 0.000 0.896 208 L HN 0.273 nan 8.230 nan 0.000 0.432 209 N N -0.768 117.924 118.700 -0.014 0.000 2.120 209 N HA -0.157 4.584 4.740 0.001 0.000 0.188 209 N C 2.053 177.591 175.510 0.047 0.000 1.024 209 N CA 1.675 54.720 53.050 -0.009 0.000 0.852 209 N CB -0.345 38.120 38.487 -0.037 0.000 1.003 209 N HN 0.470 nan 8.380 nan 0.000 0.424 210 S N 0.586 116.318 115.700 0.054 0.000 2.387 210 S HA 0.028 4.498 4.470 0.001 0.000 0.226 210 S C 2.169 176.962 174.600 0.321 0.000 1.026 210 S CA 0.447 58.747 58.200 0.168 0.000 0.972 210 S CB -0.553 62.622 63.200 -0.041 0.000 0.814 210 S HN 0.218 nan 8.310 nan 0.000 0.477 211 I N 1.991 122.685 120.570 0.207 0.000 2.179 211 I HA -0.149 4.021 4.170 0.001 0.000 0.242 211 I C 2.732 178.919 176.117 0.116 0.000 1.088 211 I CA 1.296 62.680 61.300 0.139 0.000 1.357 211 I CB -0.555 37.487 38.000 0.070 0.000 1.051 211 I HN 0.294 nan 8.210 nan 0.000 0.409 212 S N 0.719 116.480 115.700 0.102 0.000 2.383 212 S HA -0.179 4.292 4.470 0.001 0.000 0.229 212 S C 2.220 176.916 174.600 0.160 0.000 1.030 212 S CA 1.380 59.636 58.200 0.094 0.000 1.002 212 S CB -0.358 62.864 63.200 0.036 0.000 0.829 212 S HN 0.553 nan 8.310 nan 0.000 0.467 213 A N 1.607 124.551 122.820 0.206 0.000 1.930 213 A HA -0.059 4.261 4.320 0.001 0.000 0.217 213 A C 2.077 180.003 177.584 0.570 0.000 1.175 213 A CA 1.345 53.570 52.037 0.313 0.000 0.627 213 A CB -0.487 18.692 19.000 0.299 0.000 0.815 213 A HN 0.424 nan 8.150 nan 0.000 0.443 214 R N -0.078 120.720 120.500 0.497 0.000 2.081 214 R HA -0.150 4.190 4.340 0.001 0.000 0.235 214 R C 1.963 178.391 176.300 0.213 0.000 1.131 214 R CA 1.730 58.025 56.100 0.325 0.000 0.960 214 R CB -0.257 29.931 30.300 -0.188 0.000 0.856 214 R HN 0.681 nan 8.270 nan 0.000 0.436 215 E N -0.709 119.593 120.200 0.170 0.000 2.077 215 E HA -0.246 4.104 4.350 0.001 0.000 0.193 215 E C 1.545 178.271 176.600 0.210 0.000 0.989 215 E CA 1.439 57.919 56.400 0.133 0.000 0.800 215 E CB -0.273 29.486 29.700 0.098 0.000 0.746 215 E HN 0.480 nan 8.360 nan 0.000 0.452 216 W N 1.400 122.736 121.300 0.061 0.000 2.358 216 W HA -0.208 4.453 4.660 0.001 0.000 0.303 216 W C 1.968 178.529 176.519 0.070 0.000 1.208 216 W CA 1.134 58.509 57.345 0.050 0.000 1.274 216 W CB -0.315 29.162 29.460 0.030 0.000 1.138 216 W HN 0.066 nan 8.180 nan 0.000 0.515 217 L N 0.646 121.981 121.223 0.188 0.000 2.027 217 L HA -0.131 4.210 4.340 0.001 0.000 0.206 217 L C 2.369 179.256 176.870 0.029 0.000 1.074 217 L CA 1.973 56.780 54.840 -0.055 0.000 0.745 217 L CB -0.789 41.435 42.059 0.275 0.000 0.898 217 L HN 0.097 nan 8.230 nan 0.000 0.433 218 L N -0.805 120.468 121.223 0.084 0.000 2.240 218 L HA -0.126 4.214 4.340 0.001 0.000 0.211 218 L C 2.085 178.963 176.870 0.013 0.000 1.106 218 L CA 1.144 56.016 54.840 0.053 0.000 0.793 218 L CB -0.679 41.388 42.059 0.013 0.000 0.927 218 L HN 0.387 nan 8.230 nan 0.000 0.446 219 D N -0.392 120.006 120.400 -0.003 0.000 2.149 219 D HA -0.288 4.352 4.640 0.001 0.000 0.198 219 D C 2.058 178.307 176.300 -0.084 0.000 0.990 219 D CA 1.481 55.464 54.000 -0.028 0.000 0.839 219 D CB 0.186 40.987 40.800 0.000 0.000 0.948 219 D HN 0.371 nan 8.370 nan 0.000 0.460 220 H N -1.717 117.210 119.070 -0.240 0.000 2.294 220 H HA -0.055 4.501 4.556 0.001 0.000 0.306 220 H C 1.375 176.568 175.328 -0.225 0.000 1.065 220 H CA 1.755 57.602 56.048 -0.336 0.000 1.343 220 H CB -0.321 29.064 29.762 -0.628 0.000 1.396 220 H HN 0.172 nan 8.280 nan 0.000 0.506 221 Y N 0.658 120.856 120.300 -0.170 0.000 2.420 221 Y HA 0.042 4.593 4.550 0.001 0.000 0.292 221 Y C 0.734 176.571 175.900 -0.105 0.000 1.119 221 Y CA 1.130 59.157 58.100 -0.122 0.000 1.229 221 Y CB 0.157 38.603 38.460 -0.023 0.000 1.026 221 Y HN 0.361 nan 8.280 nan 0.000 0.554 222 E N 0.232 120.465 120.200 0.055 0.000 2.722 222 E HA -0.255 4.096 4.350 0.001 0.000 0.265 222 E C -0.785 175.822 176.600 0.011 0.000 1.081 222 E CA 0.790 57.196 56.400 0.010 0.000 0.781 222 E CB -1.243 28.448 29.700 -0.015 0.000 1.372 222 E HN 0.274 nan 8.360 nan 0.000 0.423 223 D N -0.554 119.835 120.400 -0.018 0.000 2.613 223 D HA 0.162 4.802 4.640 0.001 0.000 0.230 223 D C 0.326 176.492 176.300 -0.223 0.000 1.365 223 D CA -0.367 53.577 54.000 -0.093 0.000 0.976 223 D CB 1.194 41.961 40.800 -0.054 0.000 1.415 223 D HN 0.003 nan 8.370 nan 0.000 0.589 224 E N 1.624 121.726 120.200 -0.162 0.000 2.267 224 E HA -0.158 4.192 4.350 0.001 0.000 0.197 224 E C 1.206 177.663 176.600 -0.238 0.000 0.998 224 E CA 1.128 57.425 56.400 -0.172 0.000 0.830 224 E CB 0.341 29.971 29.700 -0.117 0.000 0.751 224 E HN 0.385 nan 8.360 nan 0.000 0.491 225 K N -0.150 120.062 120.400 -0.312 0.000 2.280 225 K HA -0.088 4.232 4.320 0.001 0.000 0.202 225 K C 1.905 178.100 176.600 -0.675 0.000 1.047 225 K CA 0.843 56.922 56.287 -0.347 0.000 0.942 225 K CB 0.022 32.425 32.500 -0.161 0.000 0.739 225 K HN 0.074 nan 8.250 nan 0.000 0.457 226 A N 0.899 123.042 122.820 -1.127 0.000 2.067 226 A HA -0.084 4.236 4.320 0.001 0.000 0.219 226 A C 2.206 179.678 177.584 -0.186 0.000 1.158 226 A CA 0.951 52.337 52.037 -1.085 0.000 0.661 226 A CB -0.450 17.781 19.000 -1.282 0.000 0.801 226 A HN 0.070 nan 8.150 nan 0.000 0.452 227 V N -0.154 119.726 119.914 -0.057 0.000 2.392 227 V HA -0.314 3.807 4.120 0.001 0.000 0.249 227 V C 3.006 179.292 176.094 0.321 0.000 1.059 227 V CA 1.930 64.375 62.300 0.241 0.000 1.051 227 V CB -1.118 30.770 31.823 0.107 0.000 0.658 227 V HN 0.626 nan 8.190 nan 0.000 0.455 228 A N 0.344 123.258 122.820 0.157 0.000 1.972 228 A HA -0.215 4.106 4.320 0.001 0.000 0.219 228 A C 1.912 179.615 177.584 0.198 0.000 1.169 228 A CA 2.188 54.337 52.037 0.186 0.000 0.635 228 A CB -0.619 18.437 19.000 0.093 0.000 0.810 228 A HN 0.645 nan 8.150 nan 0.000 0.446 229 N N -1.141 117.632 118.700 0.121 0.000 2.412 229 N HA 0.037 4.777 4.740 0.001 0.000 0.184 229 N C 0.828 176.369 175.510 0.052 0.000 1.101 229 N CA 0.609 53.651 53.050 -0.013 0.000 0.881 229 N CB 0.124 38.509 38.487 -0.170 0.000 0.969 229 N HN 0.581 nan 8.380 nan 0.000 0.459 230 H N -1.860 117.428 119.070 0.363 0.000 3.233 230 H HA 0.275 4.831 4.556 0.001 0.000 0.263 230 H C -0.753 174.556 175.328 -0.032 0.000 1.168 230 H CA -0.009 56.156 56.048 0.194 0.000 1.159 230 H CB 0.669 30.526 29.762 0.158 0.000 1.593 230 H HN 0.038 nan 8.280 nan 0.000 0.580 231 F N 1.278 121.418 119.950 0.317 0.000 2.569 231 F HA 0.377 4.905 4.527 0.001 0.000 0.312 231 F C 0.052 175.985 175.800 0.222 0.000 1.109 231 F CA -1.160 56.984 58.000 0.240 0.000 0.919 231 F CB 2.172 41.357 39.000 0.308 0.000 1.211 231 F HN -0.223 nan 8.300 nan 0.000 0.446 232 V N 0.141 120.243 119.914 0.314 0.000 3.074 232 V HA 1.036 5.157 4.120 0.001 0.000 0.314 232 V C -1.038 175.223 176.094 0.279 0.000 1.117 232 V CA -1.017 61.479 62.300 0.326 0.000 1.014 232 V CB 1.506 33.496 31.823 0.280 0.000 1.057 232 V HN 1.015 nan 8.190 nan 0.000 0.438 233 A N 2.360 125.350 122.820 0.284 0.000 2.454 233 A HA 0.934 5.254 4.320 0.001 0.000 0.302 233 A C -0.984 176.729 177.584 0.215 0.000 1.079 233 A CA -0.733 51.433 52.037 0.215 0.000 0.731 233 A CB 1.580 20.642 19.000 0.103 0.000 1.299 233 A HN 1.011 nan 8.150 nan 0.000 0.413 234 I N 1.651 122.322 120.570 0.168 0.000 2.464 234 I HA 0.531 4.701 4.170 0.001 0.000 0.277 234 I C 0.004 176.160 176.117 0.066 0.000 1.040 234 I CA 0.026 61.388 61.300 0.103 0.000 1.153 234 I CB 1.379 39.421 38.000 0.070 0.000 1.274 234 I HN 0.473 nan 8.210 nan 0.000 0.469 235 S N 2.388 118.069 115.700 -0.030 0.000 2.543 235 S HA 0.369 4.840 4.470 0.001 0.000 0.274 235 S C 0.276 174.776 174.600 -0.167 0.000 1.149 235 S CA -0.459 57.701 58.200 -0.067 0.000 0.866 235 S CB 1.822 64.916 63.200 -0.177 0.000 1.111 235 S HN 0.418 nan 8.310 nan 0.000 0.457 236 S N 1.760 117.379 115.700 -0.135 0.000 2.575 236 S HA 0.203 4.674 4.470 0.001 0.000 0.215 236 S C 0.346 174.868 174.600 -0.129 0.000 0.966 236 S CA 0.103 58.215 58.200 -0.146 0.000 0.911 236 S CB -0.056 63.077 63.200 -0.112 0.000 0.780 236 S HN 0.494 nan 8.310 nan 0.000 0.514 237 K N 2.235 122.536 120.400 -0.164 0.000 2.403 237 K HA 0.383 4.703 4.320 0.001 0.000 0.235 237 K C 0.787 177.240 176.600 -0.246 0.000 1.142 237 K CA -0.151 56.044 56.287 -0.153 0.000 1.114 237 K CB -0.289 32.174 32.500 -0.063 0.000 1.777 237 K HN 0.162 nan 8.250 nan 0.000 0.424 238 L N 0.686 121.799 121.223 -0.183 0.000 2.042 238 L HA -0.276 4.064 4.340 0.001 0.000 0.210 238 L C 1.874 178.655 176.870 -0.148 0.000 1.076 238 L CA 1.544 56.275 54.840 -0.181 0.000 0.749 238 L CB -0.502 41.482 42.059 -0.125 0.000 0.893 238 L HN 0.629 nan 8.230 nan 0.000 0.432 239 D N 0.331 120.675 120.400 -0.094 0.000 2.178 239 D HA -0.188 4.453 4.640 0.001 0.000 0.202 239 D C 1.775 178.053 176.300 -0.037 0.000 0.974 239 D CA 1.120 55.088 54.000 -0.053 0.000 0.841 239 D CB -0.199 40.586 40.800 -0.025 0.000 0.953 239 D HN 0.317 nan 8.370 nan 0.000 0.478 240 K N 0.566 120.938 120.400 -0.045 0.000 2.097 240 K HA -0.023 4.297 4.320 0.001 0.000 0.205 240 K C 2.425 179.037 176.600 0.020 0.000 1.050 240 K CA 0.778 57.087 56.287 0.038 0.000 0.938 240 K CB -0.047 32.541 32.500 0.147 0.000 0.718 240 K HN 0.076 nan 8.250 nan 0.000 0.442 241 V N 2.720 122.483 119.914 -0.251 0.000 2.255 241 V HA -0.298 3.822 4.120 0.001 0.000 0.247 241 V C 2.172 178.259 176.094 -0.012 0.000 1.051 241 V CA 1.705 63.854 62.300 -0.253 0.000 1.018 241 V CB -0.577 30.984 31.823 -0.437 0.000 0.641 241 V HN 0.312 nan 8.190 nan 0.000 0.445 242 K N 0.306 120.680 120.400 -0.044 0.000 2.005 242 K HA -0.344 3.977 4.320 0.001 0.000 0.229 242 K C 1.987 178.612 176.600 0.042 0.000 1.050 242 K CA 2.482 58.768 56.287 -0.002 0.000 0.994 242 K CB -0.800 31.686 32.500 -0.024 0.000 0.736 242 K HN 0.576 nan 8.250 nan 0.000 0.448 243 E N -0.289 119.941 120.200 0.049 0.000 2.171 243 E HA -0.197 4.154 4.350 0.001 0.000 0.197 243 E C 1.919 178.565 176.600 0.077 0.000 0.997 243 E CA 1.042 57.475 56.400 0.055 0.000 0.810 243 E CB -0.245 29.493 29.700 0.064 0.000 0.738 243 E HN 0.295 nan 8.360 nan 0.000 0.467 244 F N -0.272 119.671 119.950 -0.012 0.000 2.259 244 F HA -0.007 4.520 4.527 0.001 0.000 0.298 244 F C 1.533 177.280 175.800 -0.088 0.000 1.088 244 F CA 1.549 59.524 58.000 -0.043 0.000 1.358 244 F CB 0.539 39.539 39.000 -0.000 0.000 1.040 244 F HN 0.080 nan 8.300 nan 0.000 0.505 245 G N 0.381 109.265 108.800 0.140 0.000 2.234 245 G HA2 -0.130 3.830 3.960 0.001 0.000 0.153 245 G HA3 -0.130 3.830 3.960 0.001 0.000 0.153 245 G C 0.038 175.032 174.900 0.157 0.000 1.013 245 G CA -0.129 45.012 45.100 0.069 0.000 0.712 245 G HN 0.224 nan 8.290 nan 0.000 0.491 246 I N 1.986 122.682 120.570 0.209 0.000 2.365 246 I HA 0.264 4.435 4.170 0.001 0.000 0.291 246 I C -0.286 175.916 176.117 0.143 0.000 1.004 246 I CA -0.794 60.642 61.300 0.226 0.000 1.311 246 I CB 0.924 39.055 38.000 0.219 0.000 1.401 246 I HN -0.077 nan 8.210 nan 0.000 0.491 247 D N 5.493 126.002 120.400 0.182 0.000 2.472 247 D HA -0.028 4.612 4.640 0.001 0.000 0.248 247 D C 0.907 177.196 176.300 -0.019 0.000 1.174 247 D CA 0.252 54.294 54.000 0.071 0.000 0.883 247 D CB 1.043 41.889 40.800 0.078 0.000 1.149 247 D HN 0.431 nan 8.370 nan 0.000 0.488 248 L N 3.299 124.476 121.223 -0.076 0.000 2.275 248 L HA -0.156 4.184 4.340 0.001 0.000 0.215 248 L C 1.983 178.733 176.870 -0.199 0.000 1.119 248 L CA 1.236 56.004 54.840 -0.120 0.000 0.790 248 L CB -0.162 41.834 42.059 -0.106 0.000 0.919 248 L HN 0.448 nan 8.230 nan 0.000 0.443 249 E N -1.637 118.410 120.200 -0.254 0.000 2.333 249 E HA -0.249 4.102 4.350 0.001 0.000 0.198 249 E C 0.386 176.670 176.600 -0.526 0.000 1.007 249 E CA 1.434 57.599 56.400 -0.392 0.000 0.845 249 E CB -0.452 28.972 29.700 -0.460 0.000 0.766 249 E HN 0.711 nan 8.360 nan 0.000 0.507 250 H N -0.497 118.535 119.070 -0.062 0.000 2.505 250 H HA 0.302 4.859 4.556 0.001 0.000 0.260 250 H C -0.877 174.430 175.328 -0.036 0.000 1.168 250 H CA -0.846 55.215 56.048 0.022 0.000 0.945 250 H CB 0.542 30.524 29.762 0.367 0.000 1.800 250 H HN 0.076 nan 8.280 nan 0.000 0.586 251 C N 1.691 120.869 119.300 -0.204 0.000 2.319 251 C HA 0.448 4.909 4.460 0.001 0.000 0.335 251 C C -0.589 174.132 174.990 -0.449 0.000 1.274 251 C CA -0.374 58.533 59.018 -0.185 0.000 1.806 251 C CB -1.021 26.608 27.740 -0.184 0.000 2.329 251 C HN 0.494 nan 8.230 nan 0.000 0.524 252 Y N 3.405 123.674 120.300 -0.053 0.000 2.446 252 Y HA 0.446 4.997 4.550 0.001 0.000 0.338 252 Y C 0.631 176.415 175.900 -0.194 0.000 1.055 252 Y CA -0.526 57.522 58.100 -0.087 0.000 1.101 252 Y CB 1.058 39.493 38.460 -0.041 0.000 1.221 252 Y HN 0.515 nan 8.280 nan 0.000 0.460 253 K N 2.613 122.892 120.400 -0.203 0.000 2.270 253 K HA 0.344 4.665 4.320 0.001 0.000 0.276 253 K C -0.750 175.436 176.600 -0.689 0.000 1.023 253 K CA -0.319 55.657 56.287 -0.520 0.000 0.955 253 K CB 0.593 32.636 32.500 -0.762 0.000 0.975 253 K HN 0.499 nan 8.250 nan 0.000 0.471 254 M N 4.163 123.337 119.600 -0.711 0.000 2.204 254 M HA 0.287 4.768 4.480 0.001 0.000 0.293 254 M C -1.613 174.300 176.300 -0.645 0.000 0.994 254 M CA -0.440 54.515 55.300 -0.574 0.000 0.925 254 M CB 1.139 33.589 32.600 -0.251 0.000 1.577 254 M HN 0.629 nan 8.290 nan 0.000 0.439 255 W N 2.491 123.508 121.300 -0.472 0.000 2.415 255 W HA 0.217 4.878 4.660 0.001 0.000 0.355 255 W C 1.092 177.269 176.519 -0.569 0.000 1.161 255 W CA -0.292 56.640 57.345 -0.687 0.000 1.315 255 W CB 0.665 29.196 29.460 -1.549 0.000 1.261 255 W HN 0.680 nan 8.180 nan 0.000 0.636 256 D N -0.303 119.990 120.400 -0.177 0.000 2.219 256 D HA -0.213 4.428 4.640 0.001 0.000 0.205 256 D C 1.592 177.921 176.300 0.049 0.000 0.970 256 D CA 1.160 55.142 54.000 -0.031 0.000 0.851 256 D CB -0.717 40.119 40.800 0.060 0.000 0.943 256 D HN 0.570 nan 8.370 nan 0.000 0.488 257 W N 0.769 122.171 121.300 0.170 0.000 3.180 257 W HA 0.328 4.989 4.660 0.001 0.000 0.254 257 W C -0.607 175.986 176.519 0.124 0.000 1.318 257 W CA -0.608 56.793 57.345 0.094 0.000 1.608 257 W CB -0.425 29.046 29.460 0.018 0.000 1.124 257 W HN -0.264 nan 8.180 nan 0.000 0.694 258 V N 2.604 122.638 119.914 0.201 0.000 2.318 258 V HA 0.454 4.575 4.120 0.001 0.000 0.271 258 V C 0.990 177.216 176.094 0.219 0.000 1.030 258 V CA -0.660 61.802 62.300 0.270 0.000 0.844 258 V CB 0.331 32.269 31.823 0.193 0.000 1.015 258 V HN 0.131 nan 8.190 nan 0.000 0.460 259 G N 3.205 112.184 108.800 0.298 0.000 2.491 259 G HA2 0.386 4.347 3.960 0.001 0.000 0.242 259 G HA3 0.386 4.347 3.960 0.001 0.000 0.242 259 G C 1.125 176.145 174.900 0.201 0.000 1.266 259 G CA 0.196 45.459 45.100 0.273 0.000 0.844 259 G HN 0.882 nan 8.290 nan 0.000 0.571 260 G N 1.590 110.446 108.800 0.094 0.000 2.476 260 G HA2 -0.271 3.689 3.960 0.001 0.000 0.218 260 G HA3 -0.271 3.689 3.960 0.001 0.000 0.218 260 G C 1.663 176.553 174.900 -0.017 0.000 1.164 260 G CA 0.926 46.045 45.100 0.032 0.000 0.768 260 G HN 0.792 nan 8.290 nan 0.000 0.560 261 R N -0.887 119.549 120.500 -0.107 0.000 2.323 261 R HA 0.133 4.474 4.340 0.001 0.000 0.198 261 R C 0.278 176.277 176.300 -0.502 0.000 0.988 261 R CA 0.501 56.416 56.100 -0.309 0.000 1.041 261 R CB -0.272 29.761 30.300 -0.445 0.000 0.926 261 R HN 0.439 nan 8.270 nan 0.000 0.476 262 Y N 0.438 120.770 120.300 0.053 0.000 2.715 262 Y HA 0.215 4.766 4.550 0.001 0.000 0.255 262 Y C 1.129 177.177 175.900 0.247 0.000 1.139 262 Y CA -0.479 57.670 58.100 0.082 0.000 1.151 262 Y CB 1.146 39.448 38.460 -0.264 0.000 1.201 262 Y HN 0.198 nan 8.280 nan 0.000 0.556 263 S N -0.912 114.916 115.700 0.213 0.000 2.539 263 S HA -0.003 4.467 4.470 0.001 0.000 0.221 263 S C 1.606 176.258 174.600 0.086 0.000 0.987 263 S CA 0.021 58.342 58.200 0.202 0.000 0.929 263 S CB -0.529 62.744 63.200 0.121 0.000 0.832 263 S HN 0.424 nan 8.310 nan 0.000 0.492 264 L N -1.345 119.782 121.223 -0.160 0.000 2.265 264 L HA 0.277 4.617 4.340 0.001 0.000 0.215 264 L C 1.824 178.602 176.870 -0.153 0.000 1.117 264 L CA 1.003 55.673 54.840 -0.284 0.000 0.782 264 L CB -1.523 40.210 42.059 -0.542 0.000 0.914 264 L HN 0.360 nan 8.230 nan 0.000 0.441 265 W N 0.937 122.365 121.300 0.213 0.000 2.800 265 W HA 0.178 4.838 4.660 0.001 0.000 0.249 265 W C 1.868 178.619 176.519 0.387 0.000 1.294 265 W CA 0.395 57.886 57.345 0.243 0.000 1.402 265 W CB -0.747 28.819 29.460 0.177 0.000 1.126 265 W HN 0.353 nan 8.180 nan 0.000 0.652 266 S N -0.743 115.249 115.700 0.488 0.000 2.607 266 S HA 0.230 4.700 4.470 0.001 0.000 0.272 266 S C 1.344 176.106 174.600 0.271 0.000 1.166 266 S CA -0.114 58.333 58.200 0.412 0.000 1.021 266 S CB 0.907 64.300 63.200 0.323 0.000 1.113 266 S HN -0.036 nan 8.310 nan 0.000 0.531 267 S N 0.445 116.244 115.700 0.165 0.000 2.442 267 S HA -0.025 4.446 4.470 0.001 0.000 0.236 267 S C 1.716 176.306 174.600 -0.017 0.000 1.007 267 S CA 0.589 58.811 58.200 0.036 0.000 0.965 267 S CB -0.655 62.562 63.200 0.029 0.000 0.773 267 S HN 0.560 nan 8.310 nan 0.000 0.504 268 I N 1.517 122.104 120.570 0.028 0.000 2.423 268 I HA -0.145 4.026 4.170 0.001 0.000 0.254 268 I C 2.325 178.437 176.117 -0.009 0.000 1.151 268 I CA 1.162 62.470 61.300 0.013 0.000 1.421 268 I CB -1.595 36.423 38.000 0.030 0.000 1.079 268 I HN 0.339 nan 8.210 nan 0.000 0.431 269 G N 1.088 109.881 108.800 -0.011 0.000 3.061 269 G HA2 -0.057 3.904 3.960 0.001 0.000 0.208 269 G HA3 -0.057 3.904 3.960 0.001 0.000 0.208 269 G C 1.617 176.349 174.900 -0.280 0.000 1.175 269 G CA 0.166 45.232 45.100 -0.058 0.000 0.812 269 G HN 0.510 nan 8.290 nan 0.000 0.523 270 M N 0.687 120.134 119.600 -0.255 0.000 2.213 270 M HA -0.073 4.407 4.480 0.001 0.000 0.263 270 M C 2.468 178.679 176.300 -0.149 0.000 1.062 270 M CA 2.054 57.153 55.300 -0.334 0.000 1.105 270 M CB -0.630 31.795 32.600 -0.291 0.000 1.385 270 M HN 0.136 nan 8.290 nan 0.000 0.417 271 S N 1.237 116.951 115.700 0.023 0.000 2.419 271 S HA -0.077 4.393 4.470 0.001 0.000 0.233 271 S C 1.790 176.435 174.600 0.074 0.000 1.016 271 S CA 1.270 59.540 58.200 0.116 0.000 0.974 271 S CB -1.144 62.080 63.200 0.040 0.000 0.786 271 S HN 0.640 nan 8.310 nan 0.000 0.492 272 I N 2.435 123.013 120.570 0.014 0.000 2.142 272 I HA -0.160 4.010 4.170 0.001 0.000 0.240 272 I C 3.095 179.186 176.117 -0.043 0.000 1.078 272 I CA 1.271 62.585 61.300 0.023 0.000 1.343 272 I CB -0.731 37.332 38.000 0.104 0.000 1.046 272 I HN 0.413 nan 8.210 nan 0.000 0.405 273 A N 0.396 123.083 122.820 -0.222 0.000 1.978 273 A HA -0.204 4.116 4.320 0.001 0.000 0.220 273 A C 2.048 179.523 177.584 -0.182 0.000 1.170 273 A CA 1.529 53.414 52.037 -0.254 0.000 0.636 273 A CB -0.928 17.799 19.000 -0.454 0.000 0.810 273 A HN 0.365 nan 8.150 nan 0.000 0.448 274 F N -0.313 119.545 119.950 -0.153 0.000 2.407 274 F HA 0.054 4.582 4.527 0.001 0.000 0.299 274 F C 2.492 178.191 175.800 -0.168 0.000 1.097 274 F CA 0.558 58.464 58.000 -0.157 0.000 1.422 274 F CB -0.183 38.695 39.000 -0.203 0.000 1.067 274 F HN 0.285 nan 8.300 nan 0.000 0.539 275 A N 0.144 122.944 122.820 -0.034 0.000 1.901 275 A HA 0.092 4.413 4.320 0.001 0.000 0.210 275 A C 1.929 179.409 177.584 -0.174 0.000 1.208 275 A CA 1.193 53.069 52.037 -0.268 0.000 0.644 275 A CB -0.678 17.995 19.000 -0.544 0.000 0.863 275 A HN 0.371 nan 8.150 nan 0.000 0.454 276 I N -4.036 116.509 120.570 -0.042 0.000 4.018 276 I HA 0.524 4.695 4.170 0.001 0.000 0.337 276 I C 0.785 176.952 176.117 0.085 0.000 1.327 276 I CA 0.226 61.578 61.300 0.086 0.000 1.100 276 I CB -0.143 37.945 38.000 0.147 0.000 1.025 276 I HN 0.426 nan 8.210 nan 0.000 0.396 277 G N 1.284 110.111 108.800 0.044 0.000 2.716 277 G HA2 -0.341 3.620 3.960 0.001 0.000 0.686 277 G HA3 -0.341 3.620 3.960 0.001 0.000 0.686 277 G C -0.286 174.654 174.900 0.066 0.000 1.337 277 G CA 0.140 45.275 45.100 0.059 0.000 0.829 277 G HN 0.336 nan 8.290 nan 0.000 0.599 278 Y N 0.640 120.944 120.300 0.007 0.000 2.242 278 Y HA -0.067 4.483 4.550 0.001 0.000 0.291 278 Y C 2.660 178.641 175.900 0.134 0.000 1.137 278 Y CA 2.486 60.618 58.100 0.054 0.000 1.181 278 Y CB 0.079 38.533 38.460 -0.009 0.000 0.989 278 Y HN 0.636 nan 8.280 nan 0.000 0.527 279 D N -0.226 120.277 120.400 0.172 0.000 2.133 279 D HA -0.209 4.431 4.640 0.001 0.000 0.195 279 D C 1.724 178.059 176.300 0.058 0.000 0.997 279 D CA 1.421 55.496 54.000 0.126 0.000 0.840 279 D CB -0.368 40.503 40.800 0.117 0.000 0.947 279 D HN 0.360 nan 8.370 nan 0.000 0.452 280 N N -0.190 118.541 118.700 0.052 0.000 2.216 280 N HA -0.112 4.629 4.740 0.001 0.000 0.183 280 N C 1.653 177.150 175.510 -0.020 0.000 1.017 280 N CA 0.193 53.254 53.050 0.019 0.000 0.861 280 N CB -0.454 38.058 38.487 0.042 0.000 0.986 280 N HN 0.168 nan 8.380 nan 0.000 0.428 281 F N 2.518 122.348 119.950 -0.199 0.000 2.126 281 F HA -0.133 4.395 4.527 0.001 0.000 0.299 281 F C 2.106 177.772 175.800 -0.224 0.000 1.096 281 F CA 1.429 59.259 58.000 -0.284 0.000 1.255 281 F CB -0.065 38.608 39.000 -0.545 0.000 0.997 281 F HN 0.053 nan 8.300 nan 0.000 0.479 282 E N 0.111 120.185 120.200 -0.210 0.000 2.110 282 E HA -0.238 4.113 4.350 0.001 0.000 0.193 282 E C 2.113 178.674 176.600 -0.065 0.000 0.988 282 E CA 1.422 57.756 56.400 -0.111 0.000 0.804 282 E CB -0.213 29.515 29.700 0.047 0.000 0.745 282 E HN 0.503 nan 8.360 nan 0.000 0.458 283 K N 0.611 120.998 120.400 -0.023 0.000 2.057 283 K HA -0.147 4.174 4.320 0.001 0.000 0.207 283 K C 2.272 178.890 176.600 0.031 0.000 1.049 283 K CA 0.748 57.075 56.287 0.068 0.000 0.931 283 K CB -0.206 32.336 32.500 0.070 0.000 0.714 283 K HN 0.024 nan 8.250 nan 0.000 0.440 284 L N 1.198 122.368 121.223 -0.089 0.000 2.012 284 L HA -0.194 4.147 4.340 0.001 0.000 0.210 284 L C 1.889 178.742 176.870 -0.028 0.000 1.073 284 L CA 1.580 56.365 54.840 -0.090 0.000 0.748 284 L CB -0.339 41.603 42.059 -0.195 0.000 0.891 284 L HN 0.024 nan 8.230 nan 0.000 0.431 285 L N -0.112 121.028 121.223 -0.138 0.000 2.056 285 L HA -0.082 4.258 4.340 0.001 0.000 0.207 285 L C 2.697 179.541 176.870 -0.042 0.000 1.078 285 L CA 1.892 56.699 54.840 -0.055 0.000 0.749 285 L CB -1.482 40.504 42.059 -0.122 0.000 0.901 285 L HN 0.355 nan 8.230 nan 0.000 0.433 286 A N -0.498 122.317 122.820 -0.008 0.000 1.972 286 A HA -0.100 4.221 4.320 0.001 0.000 0.219 286 A C 2.429 179.912 177.584 -0.168 0.000 1.169 286 A CA 1.628 53.709 52.037 0.074 0.000 0.635 286 A CB -1.285 17.858 19.000 0.239 0.000 0.810 286 A HN 0.436 nan 8.150 nan 0.000 0.446 287 G N -0.478 107.994 108.800 -0.545 0.000 2.421 287 G HA2 0.011 3.972 3.960 0.001 0.000 0.216 287 G HA3 0.011 3.972 3.960 0.001 0.000 0.216 287 G C 1.763 176.422 174.900 -0.400 0.000 1.171 287 G CA 1.406 45.874 45.100 -1.054 0.000 0.775 287 G HN 0.775 nan 8.290 nan 0.000 0.543 288 A N 0.115 122.796 122.820 -0.232 0.000 1.877 288 A HA -0.083 4.238 4.320 0.001 0.000 0.216 288 A C 2.218 179.704 177.584 -0.162 0.000 1.186 288 A CA 1.801 53.682 52.037 -0.261 0.000 0.620 288 A CB -0.807 17.777 19.000 -0.694 0.000 0.822 288 A HN 0.495 nan 8.150 nan 0.000 0.443 289 Y N 2.088 122.285 120.300 -0.173 0.000 2.151 289 Y HA -0.293 4.257 4.550 0.001 0.000 0.284 289 Y C 2.879 178.788 175.900 0.015 0.000 1.166 289 Y CA 2.116 60.183 58.100 -0.056 0.000 1.163 289 Y CB -0.503 37.941 38.460 -0.026 0.000 0.974 289 Y HN 0.451 nan 8.280 nan 0.000 0.511 290 S N -1.069 114.597 115.700 -0.057 0.000 2.383 290 S HA -0.198 4.273 4.470 0.001 0.000 0.229 290 S C 1.978 176.543 174.600 -0.059 0.000 1.030 290 S CA 1.684 59.903 58.200 0.032 0.000 1.002 290 S CB -1.255 62.122 63.200 0.295 0.000 0.829 290 S HN 0.255 nan 8.310 nan 0.000 0.467 291 V N 2.580 122.427 119.914 -0.112 0.000 2.453 291 V HA -0.098 4.023 4.120 0.001 0.000 0.247 291 V C 2.419 178.518 176.094 0.010 0.000 1.048 291 V CA 1.888 64.080 62.300 -0.181 0.000 1.049 291 V CB -0.819 30.934 31.823 -0.118 0.000 0.672 291 V HN 0.432 nan 8.190 nan 0.000 0.457 292 D N 0.253 120.665 120.400 0.021 0.000 2.104 292 D HA -0.218 4.423 4.640 0.001 0.000 0.194 292 D C 2.120 178.363 176.300 -0.096 0.000 0.994 292 D CA 1.568 55.676 54.000 0.180 0.000 0.830 292 D CB -0.173 40.744 40.800 0.196 0.000 0.959 292 D HN 0.406 nan 8.370 nan 0.000 0.452 293 K N -0.225 119.951 120.400 -0.373 0.000 2.026 293 K HA -0.221 4.100 4.320 0.001 0.000 0.208 293 K C 2.210 178.697 176.600 -0.188 0.000 1.048 293 K CA 1.336 57.401 56.287 -0.369 0.000 0.929 293 K CB -0.139 32.096 32.500 -0.442 0.000 0.713 293 K HN 0.145 nan 8.250 nan 0.000 0.439 294 H N -0.516 118.430 119.070 -0.207 0.000 2.289 294 H HA -0.212 4.345 4.556 0.001 0.000 0.296 294 H C 1.807 177.081 175.328 -0.090 0.000 1.091 294 H CA 2.457 58.407 56.048 -0.164 0.000 1.274 294 H CB -0.389 29.161 29.762 -0.353 0.000 1.364 294 H HN 0.306 nan 8.280 nan 0.000 0.490 295 F N 1.301 121.133 119.950 -0.197 0.000 2.146 295 F HA -0.027 4.501 4.527 0.001 0.000 0.298 295 F C 2.414 178.069 175.800 -0.243 0.000 1.096 295 F CA 1.835 59.702 58.000 -0.222 0.000 1.275 295 F CB -0.412 38.467 39.000 -0.201 0.000 1.008 295 F HN 0.139 nan 8.300 nan 0.000 0.480 296 K N 0.052 120.174 120.400 -0.463 0.000 2.217 296 K HA -0.109 4.212 4.320 0.001 0.000 0.202 296 K C 1.532 177.847 176.600 -0.474 0.000 1.051 296 K CA 1.661 57.559 56.287 -0.649 0.000 0.952 296 K CB -0.064 31.868 32.500 -0.945 0.000 0.736 296 K HN 0.407 nan 8.250 nan 0.000 0.453 297 E N -0.490 119.486 120.200 -0.374 0.000 2.473 297 E HA 0.047 4.397 4.350 0.001 0.000 0.204 297 E C -0.422 176.021 176.600 -0.262 0.000 0.994 297 E CA 0.053 56.281 56.400 -0.286 0.000 0.945 297 E CB 1.123 30.692 29.700 -0.219 0.000 0.990 297 E HN 0.061 nan 8.360 nan 0.000 0.493 298 T N 2.586 116.954 114.554 -0.310 0.000 2.799 298 T HA 0.080 4.431 4.350 0.001 0.000 0.286 298 T C -0.089 174.477 174.700 -0.223 0.000 0.973 298 T CA -0.602 61.333 62.100 -0.276 0.000 1.035 298 T CB 1.139 69.743 68.868 -0.439 0.000 0.932 298 T HN 0.163 nan 8.240 nan 0.000 0.469 299 E N 2.921 123.006 120.200 -0.190 0.000 2.467 299 E HA -0.062 4.288 4.350 0.001 0.000 0.264 299 E C 0.021 176.593 176.600 -0.047 0.000 1.020 299 E CA -0.317 55.957 56.400 -0.209 0.000 0.945 299 E CB 0.269 29.875 29.700 -0.157 0.000 0.942 299 E HN 0.404 nan 8.360 nan 0.000 0.449 300 F N 1.793 121.675 119.950 -0.112 0.000 2.161 300 F HA -0.202 4.325 4.527 0.001 0.000 0.300 300 F C 2.744 178.511 175.800 -0.055 0.000 1.089 300 F CA 1.486 59.429 58.000 -0.096 0.000 1.282 300 F CB -1.214 37.732 39.000 -0.089 0.000 1.010 300 F HN 0.630 nan 8.300 nan 0.000 0.485 301 S N -0.545 115.247 115.700 0.154 0.000 2.507 301 S HA -0.122 4.348 4.470 0.001 0.000 0.235 301 S C 1.278 175.956 174.600 0.130 0.000 0.988 301 S CA 0.825 59.099 58.200 0.124 0.000 0.944 301 S CB -0.463 62.794 63.200 0.097 0.000 0.762 301 S HN 0.474 nan 8.310 nan 0.000 0.526 302 K N 0.867 121.327 120.400 0.101 0.000 2.506 302 K HA 0.261 4.581 4.320 0.001 0.000 0.204 302 K C -0.418 176.245 176.600 0.105 0.000 1.045 302 K CA -0.252 56.108 56.287 0.121 0.000 1.074 302 K CB 0.299 32.855 32.500 0.094 0.000 0.842 302 K HN 0.185 nan 8.250 nan 0.000 0.514 303 N N 1.907 120.640 118.700 0.056 0.000 2.469 303 N HA 0.223 4.963 4.740 0.001 0.000 0.253 303 N C 0.708 176.252 175.510 0.056 0.000 0.970 303 N CA -0.100 52.950 53.050 0.001 0.000 0.940 303 N CB 0.776 39.274 38.487 0.017 0.000 1.128 303 N HN 0.023 nan 8.380 nan 0.000 0.503 304 I N 4.743 125.436 120.570 0.205 0.000 2.142 304 I HA -0.133 4.038 4.170 0.001 0.000 0.240 304 I C -0.774 175.113 176.117 -0.385 0.000 1.078 304 I CA 0.994 62.105 61.300 -0.316 0.000 1.343 304 I CB -0.854 36.833 38.000 -0.523 0.000 1.046 304 I HN 0.465 nan 8.210 nan 0.000 0.405 305 P HA -0.107 nan 4.420 nan 0.000 0.218 305 P C 1.919 179.115 177.300 -0.173 0.000 1.149 305 P CA 1.106 64.077 63.100 -0.215 0.000 0.817 305 P CB 0.030 31.594 31.700 -0.227 0.000 0.785 306 V N -0.079 119.781 119.914 -0.090 0.000 2.307 306 V HA -0.212 3.908 4.120 0.001 0.000 0.245 306 V C 2.357 178.323 176.094 -0.212 0.000 1.045 306 V CA 1.519 63.712 62.300 -0.177 0.000 1.024 306 V CB -1.077 30.609 31.823 -0.228 0.000 0.651 306 V HN 0.031 nan 8.190 nan 0.000 0.449 307 I N -0.407 120.041 120.570 -0.203 0.000 2.163 307 I HA -0.292 3.879 4.170 0.001 0.000 0.243 307 I C 2.490 178.500 176.117 -0.178 0.000 1.085 307 I CA 1.992 63.151 61.300 -0.235 0.000 1.347 307 I CB -1.061 36.733 38.000 -0.343 0.000 1.044 307 I HN 0.319 nan 8.210 nan 0.000 0.408 308 M N 0.480 119.980 119.600 -0.166 0.000 2.082 308 M HA -0.232 4.249 4.480 0.001 0.000 0.258 308 M C 2.464 178.711 176.300 -0.089 0.000 1.069 308 M CA 2.419 57.682 55.300 -0.062 0.000 1.102 308 M CB -0.517 31.981 32.600 -0.170 0.000 1.336 308 M HN 0.280 nan 8.290 nan 0.000 0.404 309 A N 0.200 122.915 122.820 -0.175 0.000 1.898 309 A HA -0.098 4.223 4.320 0.001 0.000 0.216 309 A C 2.104 179.526 177.584 -0.272 0.000 1.181 309 A CA 1.341 53.233 52.037 -0.243 0.000 0.620 309 A CB -0.898 17.909 19.000 -0.323 0.000 0.819 309 A HN 0.449 nan 8.150 nan 0.000 0.442 310 L N -0.635 120.448 121.223 -0.234 0.000 2.046 310 L HA -0.182 4.158 4.340 0.001 0.000 0.208 310 L C 2.575 179.413 176.870 -0.052 0.000 1.077 310 L CA 1.076 55.818 54.840 -0.164 0.000 0.747 310 L CB -0.544 41.440 42.059 -0.125 0.000 0.896 310 L HN 0.371 nan 8.230 nan 0.000 0.432 311 L N -0.560 120.619 121.223 -0.073 0.000 2.046 311 L HA -0.200 4.141 4.340 0.001 0.000 0.208 311 L C 2.863 179.722 176.870 -0.019 0.000 1.077 311 L CA 1.223 56.014 54.840 -0.082 0.000 0.747 311 L CB -0.722 41.335 42.059 -0.002 0.000 0.896 311 L HN 0.245 nan 8.230 nan 0.000 0.432 312 A N -0.800 122.069 122.820 0.081 0.000 1.873 312 A HA -0.165 4.155 4.320 0.001 0.000 0.215 312 A C 2.486 180.197 177.584 0.211 0.000 1.186 312 A CA 2.000 54.157 52.037 0.201 0.000 0.616 312 A CB -0.584 18.492 19.000 0.127 0.000 0.823 312 A HN 0.352 nan 8.150 nan 0.000 0.442 313 S N -1.670 114.061 115.700 0.052 0.000 2.406 313 S HA -0.101 4.370 4.470 0.001 0.000 0.228 313 S C 1.779 176.644 174.600 0.442 0.000 1.020 313 S CA 1.154 59.430 58.200 0.126 0.000 0.965 313 S CB -0.513 62.365 63.200 -0.537 0.000 0.798 313 S HN 0.671 nan 8.310 nan 0.000 0.488 314 Y N 1.659 122.106 120.300 0.245 0.000 2.128 314 Y HA -0.250 4.301 4.550 0.001 0.000 0.284 314 Y C 1.875 177.904 175.900 0.215 0.000 1.154 314 Y CA 1.348 59.558 58.100 0.183 0.000 1.149 314 Y CB -0.769 37.660 38.460 -0.052 0.000 0.976 314 Y HN 0.214 nan 8.280 nan 0.000 0.505 315 Y N 0.266 120.663 120.300 0.161 0.000 2.181 315 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 315 Y C 3.048 179.021 175.900 0.123 0.000 1.146 315 Y CA 1.620 59.772 58.100 0.086 0.000 1.164 315 Y CB -1.253 37.349 38.460 0.236 0.000 0.982 315 Y HN 0.304 nan 8.280 nan 0.000 0.515 316 S N -1.969 113.950 115.700 0.365 0.000 2.453 316 S HA -0.165 4.306 4.470 0.001 0.000 0.231 316 S C 2.161 176.903 174.600 0.237 0.000 1.005 316 S CA 0.696 59.077 58.200 0.301 0.000 0.949 316 S CB -1.172 62.232 63.200 0.340 0.000 0.774 316 S HN 0.568 nan 8.310 nan 0.000 0.510 317 C N 2.754 122.210 119.300 0.259 0.000 2.543 317 C HA 0.007 4.468 4.460 0.001 0.000 0.281 317 C C 3.234 178.238 174.990 0.023 0.000 1.276 317 C CA 1.578 60.703 59.018 0.180 0.000 1.700 317 C CB -1.236 26.656 27.740 0.254 0.000 2.093 317 C HN 0.777 nan 8.230 nan 0.000 0.488 318 T N -2.718 111.775 114.554 -0.100 0.000 2.978 318 T HA 0.028 4.378 4.350 0.001 0.000 0.262 318 T C 1.335 175.768 174.700 -0.445 0.000 1.063 318 T CA 1.177 63.098 62.100 -0.299 0.000 1.140 318 T CB -0.638 67.928 68.868 -0.503 0.000 0.886 318 T HN 0.639 nan 8.240 nan 0.000 0.470 319 Y N 1.655 121.771 120.300 -0.306 0.000 2.457 319 Y HA 0.360 4.911 4.550 0.001 0.000 0.263 319 Y C 0.819 176.590 175.900 -0.215 0.000 1.164 319 Y CA -0.676 57.174 58.100 -0.417 0.000 1.274 319 Y CB -0.071 37.782 38.460 -1.013 0.000 1.097 319 Y HN 0.117 nan 8.280 nan 0.000 0.523 320 N N 0.390 119.100 118.700 0.016 0.000 2.693 320 N HA -0.177 4.564 4.740 0.001 0.000 0.249 320 N C -0.180 175.389 175.510 0.099 0.000 1.119 320 N CA 1.137 54.219 53.050 0.053 0.000 0.717 320 N CB -1.582 36.919 38.487 0.022 0.000 1.071 320 N HN 0.372 nan 8.380 nan 0.000 0.555 321 S N -0.551 115.242 115.700 0.154 0.000 2.568 321 S HA 0.190 4.660 4.470 0.001 0.000 0.282 321 S C 0.953 175.655 174.600 0.170 0.000 1.338 321 S CA -0.142 58.186 58.200 0.215 0.000 1.045 321 S CB 1.475 64.890 63.200 0.358 0.000 0.873 321 S HN 0.322 nan 8.310 nan 0.000 0.516 322 Q N 0.528 120.413 119.800 0.142 0.000 2.139 322 Q HA 0.269 4.609 4.340 0.001 0.000 0.219 322 Q C -0.135 175.933 176.000 0.114 0.000 0.805 322 Q CA -0.165 55.698 55.803 0.101 0.000 1.024 322 Q CB 0.832 29.601 28.738 0.053 0.000 1.163 322 Q HN 0.904 nan 8.270 nan 0.000 0.485 323 S N -0.504 115.297 115.700 0.169 0.000 2.588 323 S HA 0.524 4.995 4.470 0.001 0.000 0.269 323 S C -1.480 173.257 174.600 0.229 0.000 1.157 323 S CA -0.859 57.479 58.200 0.229 0.000 0.824 323 S CB 2.059 65.441 63.200 0.304 0.000 1.126 323 S HN 0.088 nan 8.310 nan 0.000 0.464 324 Q N 0.141 120.052 119.800 0.183 0.000 2.359 324 Q HA 0.731 5.071 4.340 0.001 0.000 0.274 324 Q C -1.189 174.605 176.000 -0.343 0.000 1.074 324 Q CA -0.950 54.851 55.803 -0.004 0.000 0.810 324 Q CB 2.479 31.229 28.738 0.021 0.000 1.342 324 Q HN 1.039 nan 8.270 nan 0.000 0.427 325 A N 2.033 124.518 122.820 -0.557 0.000 2.304 325 A HA 0.702 5.022 4.320 0.001 0.000 0.323 325 A C -1.421 175.801 177.584 -0.604 0.000 1.195 325 A CA -0.450 50.959 52.037 -1.046 0.000 0.826 325 A CB 0.692 19.009 19.000 -1.138 0.000 1.184 325 A HN 0.510 nan 8.150 nan 0.000 0.496 326 L N 3.428 124.323 121.223 -0.546 0.000 2.343 326 L HA 0.625 4.965 4.340 0.001 0.000 0.278 326 L C -1.267 175.494 176.870 -0.182 0.000 0.996 326 L CA -0.181 54.501 54.840 -0.263 0.000 0.831 326 L CB 1.086 43.035 42.059 -0.183 0.000 1.232 326 L HN 0.581 nan 8.230 nan 0.000 0.413 327 L N 7.406 128.568 121.223 -0.102 0.000 2.384 327 L HA 0.485 4.826 4.340 0.001 0.000 0.261 327 L C -2.350 174.679 176.870 0.264 0.000 1.024 327 L CA -1.554 53.320 54.840 0.056 0.000 0.899 327 L CB 1.322 43.379 42.059 -0.003 0.000 1.243 327 L HN 0.444 nan 8.230 nan 0.000 0.449 328 P HA 0.140 nan 4.420 nan 0.000 0.287 328 P C -0.724 176.694 177.300 0.197 0.000 1.307 328 P CA -0.186 63.039 63.100 0.209 0.000 0.777 328 P CB 0.382 32.148 31.700 0.110 0.000 0.883 329 Y N 2.376 122.748 120.300 0.119 0.000 2.994 329 Y HA 0.240 4.791 4.550 0.001 0.000 0.393 329 Y C 0.464 176.403 175.900 0.065 0.000 1.118 329 Y CA 0.459 58.618 58.100 0.099 0.000 1.906 329 Y CB -0.167 38.357 38.460 0.107 0.000 1.925 329 Y HN 0.285 nan 8.280 nan 0.000 0.446 330 D N -0.193 120.261 120.400 0.089 0.000 2.871 330 D HA 0.042 4.683 4.640 0.001 0.000 0.209 330 D C 0.447 176.765 176.300 0.030 0.000 1.292 330 D CA -0.130 53.914 54.000 0.073 0.000 0.869 330 D CB 1.482 42.336 40.800 0.089 0.000 1.663 330 D HN 0.135 nan 8.370 nan 0.000 0.557 331 E N 1.981 122.195 120.200 0.024 0.000 2.171 331 E HA -0.178 4.172 4.350 0.001 0.000 0.197 331 E C 1.503 178.104 176.600 0.002 0.000 0.997 331 E CA 1.034 57.433 56.400 -0.002 0.000 0.810 331 E CB 0.164 29.867 29.700 0.005 0.000 0.738 331 E HN 0.494 nan 8.360 nan 0.000 0.467 332 R N 0.055 120.574 120.500 0.032 0.000 2.193 332 R HA -0.007 4.333 4.340 0.001 0.000 0.229 332 R C 1.821 178.142 176.300 0.035 0.000 1.110 332 R CA 0.485 56.602 56.100 0.028 0.000 0.988 332 R CB -0.132 30.188 30.300 0.034 0.000 0.871 332 R HN 0.121 nan 8.270 nan 0.000 0.458 333 L N 1.250 122.488 121.223 0.024 0.000 2.737 333 L HA 0.043 4.384 4.340 0.001 0.000 0.236 333 L C 1.908 178.826 176.870 0.081 0.000 1.219 333 L CA -0.438 54.432 54.840 0.049 0.000 1.021 333 L CB -0.141 41.896 42.059 -0.037 0.000 1.291 333 L HN 0.392 nan 8.230 nan 0.000 0.470 334 C N -2.155 117.135 119.300 -0.016 0.000 2.419 334 C HA -0.152 4.309 4.460 0.001 0.000 0.283 334 C C 1.861 176.735 174.990 -0.193 0.000 1.373 334 C CA 0.162 59.094 59.018 -0.143 0.000 1.781 334 C CB -1.362 26.209 27.740 -0.283 0.000 1.886 334 C HN 0.526 nan 8.230 nan 0.000 0.520 335 Y N -1.304 119.038 120.300 0.070 0.000 2.485 335 Y HA 0.291 4.842 4.550 0.001 0.000 0.260 335 Y C 1.958 177.925 175.900 0.111 0.000 1.173 335 Y CA -0.580 57.552 58.100 0.053 0.000 1.252 335 Y CB -0.666 37.791 38.460 -0.004 0.000 1.123 335 Y HN 0.273 nan 8.280 nan 0.000 0.524 336 F N -0.194 119.826 119.950 0.116 0.000 2.113 336 F HA -0.179 4.349 4.527 0.001 0.000 0.297 336 F C 2.013 177.855 175.800 0.070 0.000 1.103 336 F CA 1.354 59.414 58.000 0.100 0.000 1.248 336 F CB -0.428 38.601 39.000 0.048 0.000 0.999 336 F HN -0.147 nan 8.300 nan 0.000 0.475 337 V N 0.487 120.431 119.914 0.050 0.000 2.332 337 V HA -0.325 3.796 4.120 0.001 0.000 0.248 337 V C 2.094 178.113 176.094 -0.125 0.000 1.055 337 V CA 2.232 64.471 62.300 -0.102 0.000 1.038 337 V CB -0.725 31.076 31.823 -0.036 0.000 0.651 337 V HN 0.280 nan 8.190 nan 0.000 0.450 338 D N -0.942 119.447 120.400 -0.019 0.000 2.123 338 D HA -0.226 4.415 4.640 0.001 0.000 0.196 338 D C 1.921 178.160 176.300 -0.102 0.000 0.992 338 D CA 1.883 55.871 54.000 -0.019 0.000 0.833 338 D CB -0.378 40.471 40.800 0.082 0.000 0.954 338 D HN 0.649 nan 8.370 nan 0.000 0.455 339 Y N 1.214 121.408 120.300 -0.176 0.000 2.145 339 Y HA -0.110 4.440 4.550 0.001 0.000 0.286 339 Y C 2.090 177.802 175.900 -0.313 0.000 1.145 339 Y CA 1.323 59.276 58.100 -0.245 0.000 1.148 339 Y CB -0.514 37.792 38.460 -0.256 0.000 0.981 339 Y HN -0.081 nan 8.280 nan 0.000 0.507 340 L N 0.181 120.903 121.223 -0.836 0.000 2.217 340 L HA -0.182 4.159 4.340 0.001 0.000 0.211 340 L C 2.520 179.064 176.870 -0.542 0.000 1.107 340 L CA 1.100 55.415 54.840 -0.874 0.000 0.783 340 L CB -0.564 41.026 42.059 -0.781 0.000 0.919 340 L HN 0.353 nan 8.230 nan 0.000 0.442 341 Q N -0.258 119.317 119.800 -0.375 0.000 2.077 341 Q HA -0.334 4.007 4.340 0.001 0.000 0.206 341 Q C 2.168 178.014 176.000 -0.257 0.000 0.989 341 Q CA 2.145 57.804 55.803 -0.241 0.000 0.853 341 Q CB -0.169 28.478 28.738 -0.151 0.000 0.907 341 Q HN 0.528 nan 8.270 nan 0.000 0.418 342 Q N 0.018 119.622 119.800 -0.327 0.000 2.020 342 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 342 Q C 2.056 177.830 176.000 -0.375 0.000 0.982 342 Q CA 1.476 57.093 55.803 -0.310 0.000 0.838 342 Q CB -0.194 28.366 28.738 -0.296 0.000 0.899 342 Q HN 0.378 nan 8.270 nan 0.000 0.423 343 A N 0.760 123.237 122.820 -0.572 0.000 1.908 343 A HA -0.232 4.089 4.320 0.001 0.000 0.218 343 A C 1.881 179.297 177.584 -0.280 0.000 1.181 343 A CA 1.900 53.613 52.037 -0.541 0.000 0.627 343 A CB -0.770 17.830 19.000 -0.667 0.000 0.818 343 A HN 0.603 nan 8.150 nan 0.000 0.445 344 D N -0.646 119.615 120.400 -0.231 0.000 2.106 344 D HA -0.051 4.590 4.640 0.001 0.000 0.203 344 D C 2.104 178.372 176.300 -0.053 0.000 0.977 344 D CA 1.496 55.443 54.000 -0.088 0.000 0.844 344 D CB -0.277 40.477 40.800 -0.076 0.000 1.002 344 D HN 0.416 nan 8.370 nan 0.000 0.461 345 M N 0.163 119.714 119.600 -0.081 0.000 2.175 345 M HA -0.055 4.426 4.480 0.001 0.000 0.264 345 M C 2.214 178.482 176.300 -0.053 0.000 1.063 345 M CA 1.059 56.331 55.300 -0.048 0.000 1.119 345 M CB -0.166 32.402 32.600 -0.054 0.000 1.377 345 M HN 0.041 nan 8.290 nan 0.000 0.415 346 E N -0.028 120.119 120.200 -0.088 0.000 2.208 346 E HA -0.107 4.243 4.350 0.001 0.000 0.193 346 E C 1.803 178.368 176.600 -0.057 0.000 0.988 346 E CA 1.008 57.361 56.400 -0.079 0.000 0.828 346 E CB 0.271 29.906 29.700 -0.109 0.000 0.763 346 E HN 0.371 nan 8.360 nan 0.000 0.478 347 S N 0.509 116.177 115.700 -0.053 0.000 2.345 347 S HA -0.050 4.421 4.470 0.001 0.000 0.219 347 S C 1.348 175.943 174.600 -0.010 0.000 1.031 347 S CA 1.185 59.362 58.200 -0.038 0.000 0.984 347 S CB -0.150 63.042 63.200 -0.013 0.000 0.874 347 S HN 0.358 nan 8.310 nan 0.000 0.451 348 N N 0.312 119.036 118.700 0.040 0.000 2.203 348 N HA 0.166 4.907 4.740 0.001 0.000 0.207 348 N C 0.398 175.938 175.510 0.050 0.000 1.130 348 N CA -0.236 52.884 53.050 0.117 0.000 0.861 348 N CB 0.632 39.290 38.487 0.285 0.000 1.005 348 N HN 0.256 nan 8.380 nan 0.000 0.507 349 G N 1.454 110.258 108.800 0.007 0.000 2.985 349 G HA2 0.116 4.076 3.960 0.001 0.000 0.282 349 G HA3 0.116 4.076 3.960 0.001 0.000 0.282 349 G C -0.192 174.693 174.900 -0.024 0.000 0.791 349 G CA 0.055 45.139 45.100 -0.026 0.000 1.934 349 G HN -0.016 nan 8.290 nan 0.000 0.563 350 K N 0.643 121.019 120.400 -0.040 0.000 2.464 350 K HA 0.426 4.747 4.320 0.001 0.000 0.253 350 K C 0.007 176.563 176.600 -0.074 0.000 0.933 350 K CA -0.869 55.405 56.287 -0.021 0.000 0.801 350 K CB 2.019 34.532 32.500 0.022 0.000 1.271 350 K HN 0.085 nan 8.250 nan 0.000 0.430 351 S N -0.087 115.576 115.700 -0.063 0.000 2.540 351 S HA 0.076 4.547 4.470 0.001 0.000 0.222 351 S C 0.541 175.075 174.600 -0.110 0.000 1.008 351 S CA -0.348 57.787 58.200 -0.108 0.000 0.939 351 S CB 0.502 63.650 63.200 -0.086 0.000 0.865 351 S HN 0.487 nan 8.310 nan 0.000 0.499 352 V N 1.684 121.565 119.914 -0.055 0.000 2.815 352 V HA 0.716 4.836 4.120 0.001 0.000 0.314 352 V C -0.441 175.653 176.094 0.001 0.000 1.064 352 V CA -1.381 60.896 62.300 -0.039 0.000 0.952 352 V CB 1.407 33.222 31.823 -0.013 0.000 1.020 352 V HN 0.287 nan 8.190 nan 0.000 0.439 353 N N 2.756 121.465 118.700 0.015 0.000 2.364 353 N HA 0.269 5.009 4.740 0.001 0.000 0.264 353 N C 0.846 176.405 175.510 0.083 0.000 1.263 353 N CA -0.613 52.482 53.050 0.076 0.000 0.959 353 N CB 0.134 38.684 38.487 0.105 0.000 1.204 353 N HN 0.491 nan 8.380 nan 0.000 0.550 354 I N -0.894 119.738 120.570 0.104 0.000 2.335 354 I HA -0.197 3.974 4.170 0.001 0.000 0.251 354 I C 1.885 178.051 176.117 0.081 0.000 1.129 354 I CA 1.384 62.745 61.300 0.101 0.000 1.402 354 I CB -1.952 36.115 38.000 0.112 0.000 1.069 354 I HN 0.764 nan 8.210 nan 0.000 0.424 355 A N -0.196 122.667 122.820 0.071 0.000 2.238 355 A HA 0.323 4.643 4.320 0.001 0.000 0.208 355 A C 1.912 179.518 177.584 0.037 0.000 1.177 355 A CA 0.904 52.974 52.037 0.055 0.000 0.804 355 A CB -0.570 18.461 19.000 0.052 0.000 0.823 355 A HN 0.562 nan 8.150 nan 0.000 0.482 356 G N -0.674 108.146 108.800 0.033 0.000 2.141 356 G HA2 -0.220 3.740 3.960 0.001 0.000 0.242 356 G HA3 -0.220 3.740 3.960 0.001 0.000 0.242 356 G C -0.200 174.698 174.900 -0.002 0.000 0.982 356 G CA 0.270 45.377 45.100 0.011 0.000 0.662 356 G HN 0.623 nan 8.290 nan 0.000 0.527 357 E N 0.944 121.146 120.200 0.003 0.000 2.283 357 E HA 0.458 4.808 4.350 0.001 0.000 0.278 357 E C 0.229 176.805 176.600 -0.039 0.000 1.027 357 E CA -0.268 56.125 56.400 -0.011 0.000 0.843 357 E CB 0.816 30.518 29.700 0.003 0.000 1.062 357 E HN 0.118 nan 8.360 nan 0.000 0.401 358 T N 2.204 116.726 114.554 -0.054 0.000 2.867 358 T HA 0.107 4.458 4.350 0.001 0.000 0.297 358 T C 0.222 174.836 174.700 -0.143 0.000 0.989 358 T CA -0.496 61.549 62.100 -0.091 0.000 1.159 358 T CB 0.087 68.909 68.868 -0.078 0.000 0.928 358 T HN 0.321 nan 8.240 nan 0.000 0.538 359 V N 2.314 122.077 119.914 -0.250 0.000 2.732 359 V HA 0.414 4.535 4.120 0.001 0.000 0.297 359 V C 0.657 176.486 176.094 -0.443 0.000 1.060 359 V CA -0.761 61.257 62.300 -0.471 0.000 1.038 359 V CB 0.984 32.242 31.823 -0.940 0.000 1.003 359 V HN 0.680 nan 8.190 nan 0.000 0.481 360 N N 1.891 120.371 118.700 -0.366 0.000 2.268 360 N HA 0.231 4.972 4.740 0.001 0.000 0.204 360 N C -0.554 174.908 175.510 -0.080 0.000 1.124 360 N CA 0.192 53.148 53.050 -0.156 0.000 0.838 360 N CB -0.123 38.349 38.487 -0.025 0.000 0.994 360 N HN 0.935 nan 8.380 nan 0.000 0.489 361 Y N -1.593 118.675 120.300 -0.053 0.000 2.570 361 Y HA 0.500 5.051 4.550 0.001 0.000 0.345 361 Y C 0.280 176.084 175.900 -0.161 0.000 1.014 361 Y CA -1.487 56.574 58.100 -0.066 0.000 1.063 361 Y CB 0.641 39.095 38.460 -0.011 0.000 1.272 361 Y HN -0.232 nan 8.280 nan 0.000 0.477 362 Q N 1.673 121.476 119.800 0.005 0.000 2.352 362 Q HA 0.349 4.690 4.340 0.001 0.000 0.260 362 Q C 0.048 175.787 176.000 -0.435 0.000 0.976 362 Q CA 0.390 56.100 55.803 -0.155 0.000 0.881 362 Q CB 1.045 29.744 28.738 -0.065 0.000 1.235 362 Q HN 1.040 nan 8.270 nan 0.000 0.419 363 T N 0.076 114.246 114.554 -0.640 0.000 2.847 363 T HA 0.493 4.843 4.350 0.001 0.000 0.237 363 T C 0.661 174.784 174.700 -0.962 0.000 1.049 363 T CA -0.176 61.144 62.100 -1.301 0.000 1.107 363 T CB -0.494 67.907 68.868 -0.778 0.000 2.638 363 T HN 0.646 nan 8.240 nan 0.000 0.487 364 G N 1.144 109.661 108.800 -0.471 0.000 2.432 364 G HA2 0.464 4.425 3.960 0.001 0.000 0.239 364 G HA3 0.464 4.425 3.960 0.001 0.000 0.239 364 G C 0.141 175.035 174.900 -0.009 0.000 1.291 364 G CA -0.078 45.008 45.100 -0.023 0.000 0.863 364 G HN 1.085 nan 8.290 nan 0.000 0.560 365 V N 0.681 120.653 119.914 0.097 0.000 3.193 365 V HA 0.693 4.814 4.120 0.001 0.000 0.320 365 V C 0.478 176.621 176.094 0.081 0.000 1.112 365 V CA -1.088 61.262 62.300 0.083 0.000 1.026 365 V CB 1.502 33.405 31.823 0.135 0.000 1.128 365 V HN 0.539 nan 8.190 nan 0.000 0.452 366 V N 2.314 122.278 119.914 0.083 0.000 2.529 366 V HA 0.201 4.322 4.120 0.001 0.000 0.292 366 V C 0.152 176.341 176.094 0.157 0.000 1.028 366 V CA 0.168 62.523 62.300 0.093 0.000 1.074 366 V CB 0.674 32.540 31.823 0.072 0.000 0.958 366 V HN 0.729 nan 8.190 nan 0.000 0.481 367 L N 8.046 129.330 121.223 0.102 0.000 2.295 367 L HA 0.716 5.056 4.340 0.001 0.000 0.285 367 L C -0.521 176.416 176.870 0.111 0.000 1.035 367 L CA 0.017 54.889 54.840 0.052 0.000 0.806 367 L CB 1.046 43.073 42.059 -0.053 0.000 1.214 367 L HN 0.827 nan 8.230 nan 0.000 0.426 368 W N 4.239 125.459 121.300 -0.133 0.000 2.961 368 W HA 0.870 5.530 4.660 0.001 0.000 0.368 368 W C -0.537 175.865 176.519 -0.194 0.000 1.213 368 W CA -0.549 56.693 57.345 -0.171 0.000 1.173 368 W CB 0.623 29.962 29.460 -0.202 0.000 1.487 368 W HN 0.871 nan 8.180 nan 0.000 0.585 369 G N -0.360 108.272 108.800 -0.280 0.000 2.398 369 G HA2 0.548 4.509 3.960 0.001 0.000 0.251 369 G HA3 0.548 4.509 3.960 0.001 0.000 0.251 369 G C -0.887 173.939 174.900 -0.122 0.000 1.277 369 G CA 0.446 45.206 45.100 -0.567 0.000 0.927 369 G HN 1.887 nan 8.290 nan 0.000 0.477 370 G N -1.853 107.010 108.800 0.104 0.000 2.429 370 G HA2 0.588 4.548 3.960 0.001 0.000 0.300 370 G HA3 0.588 4.548 3.960 0.001 0.000 0.300 370 G C -1.038 173.979 174.900 0.196 0.000 1.598 370 G CA 0.212 45.485 45.100 0.289 0.000 0.863 370 G HN 1.407 nan 8.290 nan 0.000 0.614 371 V N 0.732 120.692 119.914 0.076 0.000 2.655 371 V HA 0.482 4.602 4.120 0.001 0.000 0.300 371 V C 1.438 177.407 176.094 -0.207 0.000 1.044 371 V CA 1.043 63.314 62.300 -0.048 0.000 1.095 371 V CB 1.208 32.998 31.823 -0.056 0.000 0.952 371 V HN 1.129 nan 8.190 nan 0.000 0.485 372 G N 2.259 110.732 108.800 -0.547 0.000 2.389 372 G HA2 0.433 4.394 3.960 0.001 0.000 0.317 372 G HA3 0.433 4.394 3.960 0.001 0.000 0.317 372 G C 0.887 175.357 174.900 -0.718 0.000 1.137 372 G CA 0.281 44.695 45.100 -1.145 0.000 0.870 372 G HN 0.870 nan 8.290 nan 0.000 0.496 373 T N -0.771 113.545 114.554 -0.396 0.000 3.113 373 T HA -0.070 4.280 4.350 0.001 0.000 0.256 373 T C 1.750 176.336 174.700 -0.190 0.000 1.131 373 T CA 0.730 62.661 62.100 -0.280 0.000 1.074 373 T CB -0.212 68.653 68.868 -0.004 0.000 0.944 373 T HN 0.376 nan 8.240 nan 0.000 0.516 374 N N 2.304 120.902 118.700 -0.170 0.000 2.091 374 N HA -0.034 4.706 4.740 0.001 0.000 0.193 374 N C 2.121 177.529 175.510 -0.170 0.000 1.021 374 N CA 1.667 54.658 53.050 -0.097 0.000 0.862 374 N CB -0.979 37.453 38.487 -0.092 0.000 1.018 374 N HN 0.587 nan 8.380 nan 0.000 0.429 375 G N 0.392 108.989 108.800 -0.338 0.000 2.462 375 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 375 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 375 G C 1.296 175.597 174.900 -0.998 0.000 1.121 375 G CA 0.523 45.180 45.100 -0.739 0.000 0.758 375 G HN 0.383 nan 8.290 nan 0.000 0.559 376 Q N -0.433 118.776 119.800 -0.986 0.000 2.234 376 Q HA -0.085 4.256 4.340 0.001 0.000 0.206 376 Q C 1.423 177.053 176.000 -0.616 0.000 0.980 376 Q CA 1.014 56.239 55.803 -0.963 0.000 0.869 376 Q CB -0.068 28.266 28.738 -0.673 0.000 0.912 376 Q HN 0.649 nan 8.270 nan 0.000 0.436 377 H N -2.194 116.700 119.070 -0.294 0.000 2.505 377 H HA 0.404 4.961 4.556 0.001 0.000 0.286 377 H C 0.701 175.956 175.328 -0.122 0.000 1.072 377 H CA 0.496 56.453 56.048 -0.152 0.000 1.141 377 H CB 0.849 30.541 29.762 -0.117 0.000 1.550 377 H HN 0.247 nan 8.280 nan 0.000 0.547 378 A N 0.537 123.287 122.820 -0.117 0.000 1.935 378 A HA 0.130 4.450 4.320 0.001 0.000 0.202 378 A C 1.013 178.645 177.584 0.081 0.000 1.772 378 A CA 0.036 52.062 52.037 -0.018 0.000 1.013 378 A CB -0.090 18.926 19.000 0.027 0.000 1.077 378 A HN 0.217 nan 8.150 nan 0.000 0.565 379 F N -2.418 117.646 119.950 0.191 0.000 2.817 379 F HA 0.419 4.946 4.527 0.001 0.000 0.333 379 F C 1.293 177.253 175.800 0.266 0.000 1.085 379 F CA -0.019 58.111 58.000 0.217 0.000 1.170 379 F CB -0.570 38.591 39.000 0.268 0.000 1.066 379 F HN 0.261 nan 8.300 nan 0.000 0.564 380 H N 0.510 119.510 119.070 -0.118 0.000 2.456 380 H HA -0.158 4.398 4.556 0.001 0.000 0.296 380 H C 1.867 177.240 175.328 0.075 0.000 1.079 380 H CA 1.299 57.337 56.048 -0.017 0.000 1.322 380 H CB 0.173 29.907 29.762 -0.046 0.000 1.388 380 H HN 0.347 nan 8.280 nan 0.000 0.538 381 Q N 1.797 121.738 119.800 0.235 0.000 2.133 381 Q HA -0.190 4.151 4.340 0.001 0.000 0.208 381 Q C 2.314 178.418 176.000 0.174 0.000 0.991 381 Q CA 1.541 57.469 55.803 0.208 0.000 0.867 381 Q CB -0.557 28.266 28.738 0.141 0.000 0.911 381 Q HN 0.562 nan 8.270 nan 0.000 0.417 382 L N -0.812 120.509 121.223 0.164 0.000 2.056 382 L HA -0.079 4.262 4.340 0.001 0.000 0.207 382 L C 2.120 179.038 176.870 0.080 0.000 1.078 382 L CA 1.058 55.971 54.840 0.122 0.000 0.749 382 L CB -0.183 41.945 42.059 0.116 0.000 0.901 382 L HN 0.352 nan 8.230 nan 0.000 0.433 383 L N -0.914 120.337 121.223 0.047 0.000 2.127 383 L HA -0.250 4.091 4.340 0.001 0.000 0.211 383 L C 2.567 179.337 176.870 -0.167 0.000 1.089 383 L CA 0.992 55.763 54.840 -0.115 0.000 0.757 383 L CB -0.959 40.928 42.059 -0.287 0.000 0.899 383 L HN 0.440 nan 8.230 nan 0.000 0.434 384 H N -0.882 118.232 119.070 0.073 0.000 2.399 384 H HA 0.051 4.607 4.556 0.001 0.000 0.300 384 H C 1.553 176.915 175.328 0.056 0.000 1.048 384 H CA 0.984 57.070 56.048 0.063 0.000 1.370 384 H CB 0.372 30.181 29.762 0.080 0.000 1.428 384 H HN 0.419 nan 8.280 nan 0.000 0.534 385 Q N 0.130 120.038 119.800 0.179 0.000 2.164 385 Q HA 0.211 4.551 4.340 0.001 0.000 0.226 385 Q C 0.910 176.965 176.000 0.092 0.000 0.813 385 Q CA -0.244 55.635 55.803 0.126 0.000 0.978 385 Q CB 1.739 30.552 28.738 0.125 0.000 1.149 385 Q HN 0.213 nan 8.270 nan 0.000 0.489 386 G N 1.774 110.621 108.800 0.080 0.000 2.653 386 G HA2 0.050 4.011 3.960 0.001 0.000 0.265 386 G HA3 0.050 4.011 3.960 0.001 0.000 0.265 386 G C 0.210 175.143 174.900 0.055 0.000 1.237 386 G CA -0.280 44.856 45.100 0.060 0.000 0.946 386 G HN 0.352 nan 8.290 nan 0.000 0.522 387 N N -1.040 117.691 118.700 0.051 0.000 2.480 387 N HA 0.139 4.880 4.740 0.001 0.000 0.281 387 N C -0.547 175.006 175.510 0.071 0.000 1.381 387 N CA -0.420 52.666 53.050 0.061 0.000 0.903 387 N CB 0.504 39.026 38.487 0.058 0.000 1.274 387 N HN 0.170 nan 8.380 nan 0.000 0.505 388 I N 0.684 121.291 120.570 0.062 0.000 2.377 388 I HA 0.371 4.541 4.170 0.001 0.000 0.293 388 I C -0.345 175.825 176.117 0.089 0.000 0.987 388 I CA -1.152 60.195 61.300 0.078 0.000 1.185 388 I CB 0.602 38.629 38.000 0.045 0.000 1.341 388 I HN 0.026 nan 8.210 nan 0.000 0.455 389 F N 7.490 127.445 119.950 0.008 0.000 2.444 389 F HA 0.482 5.010 4.527 0.001 0.000 0.360 389 F C -0.157 175.613 175.800 -0.050 0.000 1.106 389 F CA -0.042 57.934 58.000 -0.039 0.000 1.170 389 F CB 0.367 39.353 39.000 -0.024 0.000 1.113 389 F HN 0.265 nan 8.300 nan 0.000 0.521 390 I N 8.224 128.545 120.570 -0.415 0.000 2.497 390 I HA 0.278 4.448 4.170 0.001 0.000 0.284 390 I C -2.415 173.428 176.117 -0.456 0.000 1.060 390 I CA -2.099 59.073 61.300 -0.214 0.000 1.071 390 I CB 1.726 39.716 38.000 -0.016 0.000 1.216 390 I HN 0.413 nan 8.210 nan 0.000 0.442 391 P HA 0.160 nan 4.420 nan 0.000 0.268 391 P C -0.856 176.289 177.300 -0.258 0.000 1.205 391 P CA -0.161 62.713 63.100 -0.378 0.000 0.771 391 P CB 0.835 32.450 31.700 -0.141 0.000 0.858 392 V N 3.324 123.090 119.914 -0.247 0.000 2.531 392 V HA 0.302 4.422 4.120 0.001 0.000 0.301 392 V C -0.437 175.540 176.094 -0.195 0.000 1.034 392 V CA -0.476 61.641 62.300 -0.306 0.000 0.865 392 V CB 1.995 33.574 31.823 -0.406 0.000 0.995 392 V HN 0.413 nan 8.190 nan 0.000 0.424 393 D N 3.546 123.829 120.400 -0.195 0.000 2.256 393 D HA 0.556 5.197 4.640 0.001 0.000 0.240 393 D C -0.777 175.439 176.300 -0.139 0.000 1.062 393 D CA 0.053 54.044 54.000 -0.016 0.000 0.832 393 D CB 1.516 42.409 40.800 0.155 0.000 1.135 393 D HN 0.262 nan 8.370 nan 0.000 0.484 394 F N 2.073 122.088 119.950 0.108 0.000 2.421 394 F HA 0.393 4.921 4.527 0.001 0.000 0.337 394 F C 0.347 176.250 175.800 0.172 0.000 1.105 394 F CA -0.884 57.196 58.000 0.133 0.000 1.049 394 F CB 1.163 40.191 39.000 0.046 0.000 1.139 394 F HN 0.061 nan 8.300 nan 0.000 0.479 395 I N 3.286 124.078 120.570 0.370 0.000 2.330 395 I HA 0.526 4.697 4.170 0.001 0.000 0.289 395 I C -0.009 176.275 176.117 0.278 0.000 1.001 395 I CA -0.868 60.601 61.300 0.281 0.000 1.193 395 I CB 0.635 38.737 38.000 0.170 0.000 1.345 395 I HN 0.591 nan 8.210 nan 0.000 0.461 396 A N 7.759 130.724 122.820 0.242 0.000 2.355 396 A HA 0.870 5.191 4.320 0.001 0.000 0.324 396 A C -0.667 177.024 177.584 0.180 0.000 1.117 396 A CA -0.520 51.638 52.037 0.201 0.000 0.785 396 A CB 1.485 20.616 19.000 0.218 0.000 1.254 396 A HN 0.484 nan 8.150 nan 0.000 0.453 397 I N 2.273 122.930 120.570 0.146 0.000 2.382 397 I HA 0.332 4.503 4.170 0.001 0.000 0.286 397 I C 1.261 177.445 176.117 0.111 0.000 1.002 397 I CA -0.290 61.086 61.300 0.127 0.000 1.135 397 I CB 0.627 38.694 38.000 0.112 0.000 1.288 397 I HN 0.792 nan 8.210 nan 0.000 0.448 398 A N 5.136 128.027 122.820 0.118 0.000 1.877 398 A HA -0.034 4.287 4.320 0.001 0.000 0.216 398 A C 1.047 178.670 177.584 0.064 0.000 1.186 398 A CA 1.531 53.631 52.037 0.104 0.000 0.620 398 A CB -0.165 18.898 19.000 0.105 0.000 0.822 398 A HN 0.657 nan 8.150 nan 0.000 0.443 399 T N -0.996 113.590 114.554 0.054 0.000 2.848 399 T HA 0.516 4.866 4.350 0.001 0.000 0.285 399 T C -0.055 174.650 174.700 0.008 0.000 0.995 399 T CA -0.066 62.043 62.100 0.015 0.000 0.970 399 T CB 1.694 70.573 68.868 0.019 0.000 0.976 399 T HN 0.301 nan 8.240 nan 0.000 0.441 400 S N 0.658 116.307 115.700 -0.084 0.000 2.521 400 S HA 0.306 4.777 4.470 0.001 0.000 0.278 400 S C 0.656 175.185 174.600 -0.118 0.000 1.140 400 S CA -0.217 57.925 58.200 -0.097 0.000 1.028 400 S CB 0.213 63.273 63.200 -0.234 0.000 1.203 400 S HN 0.967 nan 8.310 nan 0.000 0.491 401 H N -0.584 118.368 119.070 -0.198 0.000 2.512 401 H HA 0.517 5.074 4.556 0.001 0.000 0.276 401 H C -0.094 175.200 175.328 -0.056 0.000 1.126 401 H CA -0.279 55.708 56.048 -0.102 0.000 1.060 401 H CB -0.512 29.220 29.762 -0.050 0.000 1.646 401 H HN 0.638 nan 8.280 nan 0.000 0.571 402 H N -2.646 116.303 119.070 -0.201 0.000 2.942 402 H HA 0.453 5.009 4.556 0.001 0.000 0.316 402 H C -0.530 174.771 175.328 -0.045 0.000 1.323 402 H CA -1.475 54.491 56.048 -0.136 0.000 1.144 402 H CB 0.455 30.102 29.762 -0.193 0.000 1.866 402 H HN 0.009 nan 8.280 nan 0.000 0.545 403 N N -0.130 118.679 118.700 0.182 0.000 2.238 403 N HA 0.039 4.780 4.740 0.001 0.000 0.222 403 N C -0.830 174.710 175.510 0.051 0.000 1.133 403 N CA 0.087 53.167 53.050 0.050 0.000 0.854 403 N CB 0.206 38.656 38.487 -0.062 0.000 1.041 403 N HN 0.484 nan 8.380 nan 0.000 0.510 404 Y N 1.386 121.882 120.300 0.326 0.000 2.623 404 Y HA 0.061 4.611 4.550 0.001 0.000 0.341 404 Y C 1.131 177.178 175.900 0.245 0.000 1.292 404 Y CA -0.395 57.802 58.100 0.161 0.000 1.840 404 Y CB 0.046 38.388 38.460 -0.197 0.000 1.865 404 Y HN -0.080 nan 8.280 nan 0.000 0.440 405 D N 0.552 121.081 120.400 0.215 0.000 2.178 405 D HA -0.195 4.445 4.640 0.001 0.000 0.202 405 D C 1.830 178.226 176.300 0.160 0.000 0.974 405 D CA 1.134 55.225 54.000 0.152 0.000 0.841 405 D CB -0.041 40.798 40.800 0.066 0.000 0.953 405 D HN 0.576 nan 8.370 nan 0.000 0.478 406 N N 0.709 119.512 118.700 0.172 0.000 2.166 406 N HA -0.207 4.533 4.740 0.001 0.000 0.186 406 N C 1.558 177.125 175.510 0.094 0.000 1.019 406 N CA 1.159 54.274 53.050 0.108 0.000 0.856 406 N CB -0.960 37.570 38.487 0.072 0.000 0.993 406 N HN 0.402 nan 8.380 nan 0.000 0.426 407 H N 0.007 119.144 119.070 0.112 0.000 2.321 407 H HA -0.080 4.477 4.556 0.001 0.000 0.300 407 H C 1.926 177.307 175.328 0.087 0.000 1.087 407 H CA 1.833 57.926 56.048 0.075 0.000 1.319 407 H CB 0.134 29.914 29.762 0.030 0.000 1.379 407 H HN 0.323 nan 8.280 nan 0.000 0.501 408 Q N 1.214 121.180 119.800 0.276 0.000 2.084 408 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 408 Q C 2.364 178.410 176.000 0.077 0.000 0.978 408 Q CA 1.636 57.543 55.803 0.174 0.000 0.844 408 Q CB -0.132 28.691 28.738 0.142 0.000 0.898 408 Q HN 0.429 nan 8.270 nan 0.000 0.426 409 Q N -1.082 118.757 119.800 0.065 0.000 2.084 409 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 409 Q C 1.867 177.858 176.000 -0.014 0.000 0.978 409 Q CA 1.453 57.268 55.803 0.019 0.000 0.844 409 Q CB -0.276 28.478 28.738 0.027 0.000 0.898 409 Q HN 0.505 nan 8.270 nan 0.000 0.426 410 A N 0.688 123.505 122.820 -0.005 0.000 1.902 410 A HA -0.189 4.132 4.320 0.001 0.000 0.217 410 A C 1.978 179.551 177.584 -0.018 0.000 1.181 410 A CA 1.305 53.328 52.037 -0.024 0.000 0.623 410 A CB -0.774 18.198 19.000 -0.045 0.000 0.818 410 A HN 0.486 nan 8.150 nan 0.000 0.443 411 L N -0.227 121.005 121.223 0.015 0.000 2.013 411 L HA -0.168 4.172 4.340 0.001 0.000 0.212 411 L C 2.302 179.145 176.870 -0.046 0.000 1.073 411 L CA 1.925 56.798 54.840 0.055 0.000 0.753 411 L CB -0.465 41.653 42.059 0.097 0.000 0.890 411 L HN 0.411 nan 8.230 nan 0.000 0.432 412 L N -0.901 120.208 121.223 -0.190 0.000 2.056 412 L HA -0.119 4.222 4.340 0.001 0.000 0.207 412 L C 2.695 179.119 176.870 -0.744 0.000 1.078 412 L CA 1.061 55.554 54.840 -0.577 0.000 0.749 412 L CB -0.943 40.829 42.059 -0.479 0.000 0.901 412 L HN 0.366 nan 8.230 nan 0.000 0.433 413 A N 0.219 122.846 122.820 -0.322 0.000 1.917 413 A HA -0.248 4.072 4.320 0.001 0.000 0.219 413 A C 2.121 179.612 177.584 -0.155 0.000 1.182 413 A CA 2.032 53.968 52.037 -0.168 0.000 0.633 413 A CB -0.670 18.298 19.000 -0.053 0.000 0.819 413 A HN 0.471 nan 8.150 nan 0.000 0.448 414 N N -0.451 118.176 118.700 -0.122 0.000 2.084 414 N HA -0.176 4.564 4.740 0.001 0.000 0.190 414 N C 1.934 177.349 175.510 -0.158 0.000 1.030 414 N CA 1.551 54.582 53.050 -0.032 0.000 0.849 414 N CB -0.653 37.901 38.487 0.111 0.000 1.012 414 N HN 0.603 nan 8.380 nan 0.000 0.423 415 C N 0.967 119.992 119.300 -0.459 0.000 2.393 415 C HA -0.162 4.298 4.460 0.001 0.000 0.276 415 C C 2.585 177.205 174.990 -0.617 0.000 1.215 415 C CA 0.748 59.167 59.018 -0.998 0.000 1.743 415 C CB -1.534 25.562 27.740 -1.072 0.000 2.044 415 C HN 0.316 nan 8.230 nan 0.000 0.464 416 F N 1.811 121.525 119.950 -0.393 0.000 2.186 416 F HA 0.107 4.635 4.527 0.001 0.000 0.299 416 F C 2.610 178.263 175.800 -0.245 0.000 1.090 416 F CA 0.905 58.716 58.000 -0.315 0.000 1.307 416 F CB -1.716 37.181 39.000 -0.173 0.000 1.019 416 F HN 0.310 nan 8.300 nan 0.000 0.489 417 A N -0.233 122.584 122.820 -0.006 0.000 1.933 417 A HA -0.171 4.150 4.320 0.001 0.000 0.218 417 A C 2.228 179.820 177.584 0.014 0.000 1.175 417 A CA 1.263 53.305 52.037 0.007 0.000 0.628 417 A CB -0.520 18.483 19.000 0.006 0.000 0.814 417 A HN 0.283 nan 8.150 nan 0.000 0.444 418 Q N 0.205 119.992 119.800 -0.021 0.000 2.083 418 Q HA -0.118 4.222 4.340 0.001 0.000 0.198 418 Q C 2.555 178.614 176.000 0.099 0.000 0.969 418 Q CA 1.865 57.764 55.803 0.160 0.000 0.838 418 Q CB -0.638 28.324 28.738 0.374 0.000 0.900 418 Q HN 0.836 nan 8.270 nan 0.000 0.436 419 S N 0.192 115.721 115.700 -0.285 0.000 2.383 419 S HA -0.180 4.291 4.470 0.001 0.000 0.227 419 S C 1.963 176.532 174.600 -0.052 0.000 1.026 419 S CA 1.125 59.224 58.200 -0.168 0.000 0.981 419 S CB -0.232 62.734 63.200 -0.390 0.000 0.818 419 S HN 0.327 nan 8.310 nan 0.000 0.472 420 Q N 1.242 121.021 119.800 -0.035 0.000 2.079 420 Q HA -0.033 4.307 4.340 0.001 0.000 0.200 420 Q C 2.357 178.451 176.000 0.156 0.000 0.974 420 Q CA 1.364 57.201 55.803 0.056 0.000 0.840 420 Q CB -0.556 28.258 28.738 0.127 0.000 0.898 420 Q HN 0.724 nan 8.270 nan 0.000 0.430 421 A N 0.763 123.670 122.820 0.144 0.000 1.902 421 A HA -0.181 4.140 4.320 0.001 0.000 0.217 421 A C 2.049 179.745 177.584 0.187 0.000 1.181 421 A CA 1.197 53.319 52.037 0.141 0.000 0.623 421 A CB -0.785 18.226 19.000 0.019 0.000 0.818 421 A HN 0.449 nan 8.150 nan 0.000 0.443 422 L N -1.360 120.003 121.223 0.233 0.000 2.042 422 L HA -0.241 4.100 4.340 0.001 0.000 0.210 422 L C 2.841 179.736 176.870 0.042 0.000 1.076 422 L CA 2.012 56.952 54.840 0.167 0.000 0.749 422 L CB -0.381 41.747 42.059 0.115 0.000 0.893 422 L HN 0.651 nan 8.230 nan 0.000 0.432 423 M N -1.138 118.430 119.600 -0.054 0.000 2.099 423 M HA -0.212 4.268 4.480 0.001 0.000 0.262 423 M C 1.946 178.107 176.300 -0.231 0.000 1.067 423 M CA 2.026 57.187 55.300 -0.233 0.000 1.124 423 M CB -0.061 32.237 32.600 -0.503 0.000 1.353 423 M HN 0.016 nan 8.290 nan 0.000 0.410 424 F N 0.527 120.484 119.950 0.012 0.000 2.262 424 F HA 0.342 4.869 4.527 0.001 0.000 0.292 424 F C 1.902 177.718 175.800 0.028 0.000 1.081 424 F CA 0.797 58.805 58.000 0.012 0.000 1.355 424 F CB -1.058 37.934 39.000 -0.013 0.000 1.069 424 F HN 0.405 nan 8.300 nan 0.000 0.506 425 G N 0.671 109.594 108.800 0.205 0.000 2.633 425 G HA2 -0.227 3.734 3.960 0.001 0.000 0.263 425 G HA3 -0.227 3.734 3.960 0.001 0.000 0.263 425 G C -0.508 174.460 174.900 0.112 0.000 1.310 425 G CA 0.100 45.280 45.100 0.133 0.000 0.914 425 G HN 0.608 nan 8.290 nan 0.000 0.569 426 Q N -1.591 118.259 119.800 0.082 0.000 2.281 426 Q HA 0.624 4.965 4.340 0.001 0.000 0.263 426 Q C -0.266 175.777 176.000 0.073 0.000 0.989 426 Q CA -0.247 55.593 55.803 0.061 0.000 0.852 426 Q CB 1.654 30.407 28.738 0.025 0.000 1.337 426 Q HN 1.571 nan 8.270 nan 0.000 0.418 427 S N 1.678 117.426 115.700 0.081 0.000 2.632 427 S HA 0.155 4.626 4.470 0.001 0.000 0.267 427 S C 0.622 175.298 174.600 0.126 0.000 1.276 427 S CA -0.444 57.822 58.200 0.111 0.000 0.998 427 S CB 0.543 63.810 63.200 0.112 0.000 0.953 427 S HN 0.733 nan 8.310 nan 0.000 0.547 428 Y N 1.249 121.576 120.300 0.044 0.000 2.102 428 Y HA -0.246 4.304 4.550 0.001 0.000 0.280 428 Y C 1.737 177.685 175.900 0.081 0.000 1.178 428 Y CA 2.600 60.729 58.100 0.050 0.000 1.146 428 Y CB -0.521 37.947 38.460 0.014 0.000 0.968 428 Y HN 0.742 nan 8.280 nan 0.000 0.504 429 D N -0.339 120.206 120.400 0.241 0.000 2.144 429 D HA -0.220 4.421 4.640 0.001 0.000 0.199 429 D C 2.294 178.659 176.300 0.109 0.000 0.984 429 D CA 1.525 55.635 54.000 0.183 0.000 0.834 429 D CB -0.404 40.489 40.800 0.155 0.000 0.955 429 D HN 0.462 nan 8.370 nan 0.000 0.465 430 M N 0.134 119.776 119.600 0.069 0.000 2.099 430 M HA -0.146 4.334 4.480 0.001 0.000 0.262 430 M C 1.870 178.170 176.300 -0.001 0.000 1.067 430 M CA 1.089 56.407 55.300 0.031 0.000 1.124 430 M CB 0.093 32.706 32.600 0.021 0.000 1.353 430 M HN -0.118 nan 8.290 nan 0.000 0.410 431 V N -0.169 119.731 119.914 -0.023 0.000 2.295 431 V HA -0.307 3.813 4.120 0.001 0.000 0.246 431 V C 2.166 178.206 176.094 -0.091 0.000 1.049 431 V CA 2.085 64.347 62.300 -0.064 0.000 1.024 431 V CB -1.153 30.622 31.823 -0.080 0.000 0.648 431 V HN 0.562 nan 8.190 nan 0.000 0.447 432 Y N 1.858 121.991 120.300 -0.278 0.000 2.114 432 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 432 Y C 2.559 178.388 175.900 -0.119 0.000 1.165 432 Y CA 2.159 60.101 58.100 -0.262 0.000 1.148 432 Y CB -0.392 37.864 38.460 -0.340 0.000 0.972 432 Y HN 0.288 nan 8.280 nan 0.000 0.504 433 N N 0.433 119.113 118.700 -0.033 0.000 2.188 433 N HA -0.196 4.544 4.740 0.001 0.000 0.184 433 N C 1.862 177.296 175.510 -0.127 0.000 1.018 433 N CA 1.568 54.567 53.050 -0.084 0.000 0.858 433 N CB -0.420 38.084 38.487 0.028 0.000 0.989 433 N HN 0.603 nan 8.380 nan 0.000 0.426 434 E N 0.685 120.826 120.200 -0.099 0.000 2.150 434 E HA -0.053 4.297 4.350 0.001 0.000 0.193 434 E C 1.955 178.485 176.600 -0.116 0.000 0.985 434 E CA 0.512 56.858 56.400 -0.089 0.000 0.814 434 E CB 0.079 29.740 29.700 -0.065 0.000 0.752 434 E HN 0.274 nan 8.360 nan 0.000 0.466 435 L N 0.303 121.428 121.223 -0.164 0.000 2.109 435 L HA -0.124 4.216 4.340 0.001 0.000 0.207 435 L C 2.417 179.173 176.870 -0.190 0.000 1.086 435 L CA 0.502 55.244 54.840 -0.164 0.000 0.760 435 L CB -0.270 41.682 42.059 -0.179 0.000 0.910 435 L HN 0.238 nan 8.230 nan 0.000 0.437 436 L N -0.105 120.951 121.223 -0.279 0.000 2.012 436 L HA -0.256 4.085 4.340 0.001 0.000 0.210 436 L C 2.461 179.251 176.870 -0.135 0.000 1.073 436 L CA 1.577 56.278 54.840 -0.231 0.000 0.748 436 L CB -0.542 41.347 42.059 -0.284 0.000 0.891 436 L HN 0.242 nan 8.230 nan 0.000 0.431 437 K N -0.170 120.160 120.400 -0.116 0.000 2.365 437 K HA -0.069 4.251 4.320 0.001 0.000 0.199 437 K C 2.145 178.706 176.600 -0.066 0.000 1.045 437 K CA 1.273 57.514 56.287 -0.077 0.000 0.962 437 K CB -0.061 32.401 32.500 -0.063 0.000 0.759 437 K HN 0.377 nan 8.250 nan 0.000 0.469 438 S N -0.478 115.177 115.700 -0.074 0.000 2.522 438 S HA 0.051 4.521 4.470 0.001 0.000 0.227 438 S C 1.406 175.974 174.600 -0.053 0.000 0.986 438 S CA 0.579 58.743 58.200 -0.059 0.000 0.929 438 S CB 0.199 63.363 63.200 -0.061 0.000 0.769 438 S HN 0.407 nan 8.310 nan 0.000 0.529 439 G N 0.445 109.208 108.800 -0.061 0.000 2.168 439 G HA2 -0.147 3.814 3.960 0.001 0.000 0.197 439 G HA3 -0.147 3.814 3.960 0.001 0.000 0.197 439 G C -0.148 174.721 174.900 -0.053 0.000 0.997 439 G CA -0.113 44.957 45.100 -0.050 0.000 0.658 439 G HN 0.473 nan 8.290 nan 0.000 0.513 440 L N 1.378 122.559 121.223 -0.070 0.000 2.395 440 L HA 0.390 4.731 4.340 0.001 0.000 0.269 440 L C 1.063 177.889 176.870 -0.073 0.000 1.133 440 L CA -0.663 54.137 54.840 -0.066 0.000 0.812 440 L CB 0.643 42.656 42.059 -0.077 0.000 1.125 440 L HN 0.498 nan 8.230 nan 0.000 0.452 441 N N 0.304 118.977 118.700 -0.045 0.000 2.364 441 N HA -0.012 4.729 4.740 0.001 0.000 0.264 441 N C 0.588 176.081 175.510 -0.028 0.000 1.263 441 N CA -0.480 52.551 53.050 -0.032 0.000 0.959 441 N CB 0.415 38.897 38.487 -0.008 0.000 1.204 441 N HN 0.636 nan 8.380 nan 0.000 0.550 442 E N -0.739 119.466 120.200 0.008 0.000 2.070 442 E HA -0.248 4.102 4.350 0.001 0.000 0.197 442 E C 1.029 177.703 176.600 0.124 0.000 1.004 442 E CA 2.072 58.520 56.400 0.081 0.000 0.805 442 E CB -0.302 29.470 29.700 0.118 0.000 0.744 442 E HN 0.736 nan 8.360 nan 0.000 0.451 443 T N 0.955 115.559 114.554 0.083 0.000 2.652 443 T HA -0.208 4.142 4.350 0.001 0.000 0.267 443 T C 1.893 176.643 174.700 0.084 0.000 1.039 443 T CA 1.717 63.868 62.100 0.085 0.000 1.153 443 T CB -0.303 68.598 68.868 0.056 0.000 0.863 443 T HN 0.299 nan 8.240 nan 0.000 0.428 444 Q N 0.735 120.564 119.800 0.049 0.000 2.061 444 Q HA -0.085 4.255 4.340 0.001 0.000 0.204 444 Q C 2.741 178.766 176.000 0.042 0.000 0.984 444 Q CA 1.554 57.378 55.803 0.034 0.000 0.846 444 Q CB -0.392 28.348 28.738 0.004 0.000 0.902 444 Q HN 0.561 nan 8.270 nan 0.000 0.421 445 A N 1.254 124.085 122.820 0.018 0.000 1.933 445 A HA -0.192 4.128 4.320 0.001 0.000 0.218 445 A C 2.089 179.782 177.584 0.182 0.000 1.175 445 A CA 1.245 53.276 52.037 -0.011 0.000 0.628 445 A CB -0.339 18.491 19.000 -0.283 0.000 0.814 445 A HN 0.050 nan 8.150 nan 0.000 0.444 446 K N -0.355 120.224 120.400 0.299 0.000 2.057 446 K HA -0.128 4.193 4.320 0.001 0.000 0.207 446 K C 1.915 178.658 176.600 0.238 0.000 1.049 446 K CA 1.386 57.869 56.287 0.327 0.000 0.931 446 K CB -0.209 32.445 32.500 0.257 0.000 0.714 446 K HN 0.455 nan 8.250 nan 0.000 0.440 447 E N 0.533 120.838 120.200 0.175 0.000 2.106 447 E HA -0.143 4.207 4.350 0.001 0.000 0.192 447 E C 1.926 178.653 176.600 0.213 0.000 0.984 447 E CA 0.652 57.151 56.400 0.166 0.000 0.806 447 E CB -0.006 29.760 29.700 0.111 0.000 0.750 447 E HN 0.129 nan 8.360 nan 0.000 0.458 448 L N 0.228 121.548 121.223 0.162 0.000 2.249 448 L HA 0.168 4.508 4.340 0.001 0.000 0.207 448 L C 2.098 179.078 176.870 0.184 0.000 1.090 448 L CA 1.462 56.407 54.840 0.174 0.000 0.802 448 L CB -0.581 41.519 42.059 0.067 0.000 0.947 448 L HN -0.017 nan 8.230 nan 0.000 0.453 449 A N 0.113 122.987 122.820 0.091 0.000 1.917 449 A HA -0.232 4.088 4.320 0.001 0.000 0.219 449 A C 2.450 180.049 177.584 0.025 0.000 1.182 449 A CA 2.067 54.067 52.037 -0.061 0.000 0.633 449 A CB -1.182 17.560 19.000 -0.429 0.000 0.819 449 A HN 0.553 nan 8.150 nan 0.000 0.448 450 A N -1.368 121.547 122.820 0.159 0.000 1.972 450 A HA -0.181 4.139 4.320 0.001 0.000 0.219 450 A C 1.910 179.466 177.584 -0.047 0.000 1.169 450 A CA 1.426 53.535 52.037 0.121 0.000 0.635 450 A CB -0.906 18.112 19.000 0.029 0.000 0.810 450 A HN 0.722 nan 8.150 nan 0.000 0.446 451 H N -0.326 118.797 119.070 0.087 0.000 2.524 451 H HA 0.034 4.590 4.556 0.001 0.000 0.282 451 H C 1.087 176.444 175.328 0.049 0.000 1.016 451 H CA 1.274 57.359 56.048 0.062 0.000 1.270 451 H CB 0.149 29.940 29.762 0.048 0.000 1.394 451 H HN 0.532 nan 8.280 nan 0.000 0.568 452 K N 0.830 121.306 120.400 0.126 0.000 2.358 452 K HA 0.144 4.464 4.320 0.001 0.000 0.197 452 K C 0.321 176.955 176.600 0.056 0.000 1.025 452 K CA -0.063 56.268 56.287 0.074 0.000 1.104 452 K CB 1.140 33.663 32.500 0.038 0.000 0.855 452 K HN -0.093 nan 8.250 nan 0.000 0.531 453 V N 2.783 122.738 119.914 0.068 0.000 2.585 453 V HA 0.051 4.171 4.120 0.001 0.000 0.296 453 V C 0.257 176.396 176.094 0.075 0.000 1.035 453 V CA 0.372 62.719 62.300 0.079 0.000 1.084 453 V CB 0.523 32.413 31.823 0.112 0.000 0.953 453 V HN 0.140 nan 8.190 nan 0.000 0.483 454 I N 7.644 128.259 120.570 0.074 0.000 2.410 454 I HA 0.307 4.477 4.170 0.001 0.000 0.286 454 I C -1.409 174.763 176.117 0.093 0.000 1.009 454 I CA -1.773 59.576 61.300 0.083 0.000 1.111 454 I CB 2.402 40.439 38.000 0.061 0.000 1.262 454 I HN 0.466 nan 8.210 nan 0.000 0.443 455 P HA -0.057 nan 4.420 nan 0.000 0.217 455 P C 0.879 178.235 177.300 0.094 0.000 1.150 455 P CA 1.173 64.327 63.100 0.090 0.000 0.832 455 P CB 0.304 32.054 31.700 0.084 0.000 0.787 456 G N 0.203 109.061 108.800 0.096 0.000 2.697 456 G HA2 -0.308 3.652 3.960 0.001 0.000 0.240 456 G HA3 -0.308 3.652 3.960 0.001 0.000 0.240 456 G C 0.093 175.028 174.900 0.058 0.000 1.346 456 G CA 0.168 45.320 45.100 0.086 0.000 0.887 456 G HN 0.413 nan 8.290 nan 0.000 0.569 457 N N -1.230 117.490 118.700 0.033 0.000 2.725 457 N HA -0.185 4.556 4.740 0.001 0.000 0.249 457 N C 0.292 175.806 175.510 0.006 0.000 1.103 457 N CA 1.982 55.050 53.050 0.031 0.000 0.707 457 N CB -0.632 37.900 38.487 0.076 0.000 1.043 457 N HN 0.852 nan 8.380 nan 0.000 0.553 458 R N 0.352 120.826 120.500 -0.043 0.000 2.460 458 R HA 0.487 4.828 4.340 0.001 0.000 0.303 458 R C -2.275 173.938 176.300 -0.145 0.000 0.968 458 R CA -1.564 54.446 56.100 -0.151 0.000 0.889 458 R CB 1.441 31.642 30.300 -0.166 0.000 1.123 458 R HN 0.143 nan 8.270 nan 0.000 0.455 459 P HA 0.144 nan 4.420 nan 0.000 0.279 459 P C -0.963 176.288 177.300 -0.082 0.000 1.252 459 P CA -0.403 62.625 63.100 -0.120 0.000 0.811 459 P CB 1.636 33.239 31.700 -0.161 0.000 1.035 460 S N -0.184 115.539 115.700 0.038 0.000 2.565 460 S HA 0.603 5.073 4.470 0.001 0.000 0.269 460 S C -0.908 173.770 174.600 0.130 0.000 1.153 460 S CA -0.616 57.650 58.200 0.110 0.000 0.835 460 S CB 1.180 64.555 63.200 0.291 0.000 1.122 460 S HN 0.345 nan 8.310 nan 0.000 0.462 461 T N 1.947 116.587 114.554 0.144 0.000 2.856 461 T HA 0.738 5.089 4.350 0.001 0.000 0.283 461 T C -0.906 173.887 174.700 0.156 0.000 1.008 461 T CA -0.465 61.673 62.100 0.063 0.000 0.997 461 T CB 1.716 70.596 68.868 0.020 0.000 0.992 461 T HN 0.728 nan 8.240 nan 0.000 0.454 462 T N 3.080 117.660 114.554 0.043 0.000 2.812 462 T HA 0.553 4.904 4.350 0.001 0.000 0.282 462 T C -0.270 174.468 174.700 0.063 0.000 0.990 462 T CA -0.496 61.681 62.100 0.130 0.000 0.960 462 T CB 0.469 69.385 68.868 0.081 0.000 0.948 462 T HN 0.417 nan 8.240 nan 0.000 0.438 463 I N 4.124 124.812 120.570 0.197 0.000 2.354 463 I HA 0.373 4.544 4.170 0.001 0.000 0.286 463 I C -0.821 175.449 176.117 0.255 0.000 1.007 463 I CA -0.888 60.559 61.300 0.244 0.000 1.167 463 I CB 1.345 39.542 38.000 0.329 0.000 1.320 463 I HN 0.295 nan 8.210 nan 0.000 0.458 464 L N 8.132 129.517 121.223 0.270 0.000 2.287 464 L HA 0.526 4.867 4.340 0.001 0.000 0.287 464 L C -0.895 176.126 176.870 0.252 0.000 1.022 464 L CA -0.287 54.725 54.840 0.288 0.000 0.814 464 L CB 1.075 43.351 42.059 0.361 0.000 1.217 464 L HN 0.360 nan 8.230 nan 0.000 0.420 465 L N 4.261 125.605 121.223 0.201 0.000 2.343 465 L HA 0.390 4.730 4.340 0.001 0.000 0.275 465 L C 1.249 178.206 176.870 0.146 0.000 1.056 465 L CA -0.026 54.914 54.840 0.166 0.000 0.804 465 L CB 1.202 43.343 42.059 0.137 0.000 1.203 465 L HN 0.745 nan 8.230 nan 0.000 0.440 466 D N 0.682 121.156 120.400 0.124 0.000 2.144 466 D HA -0.115 4.525 4.640 0.001 0.000 0.200 466 D C 0.107 176.463 176.300 0.094 0.000 0.978 466 D CA 1.019 55.078 54.000 0.098 0.000 0.833 466 D CB 0.270 41.115 40.800 0.075 0.000 0.961 466 D HN 0.708 nan 8.370 nan 0.000 0.470 467 E N -1.443 118.819 120.200 0.104 0.000 2.437 467 E HA 0.416 4.767 4.350 0.001 0.000 0.280 467 E C -1.531 175.140 176.600 0.119 0.000 1.044 467 E CA -1.102 55.365 56.400 0.111 0.000 0.826 467 E CB 1.146 30.915 29.700 0.115 0.000 1.358 467 E HN 0.001 nan 8.360 nan 0.000 0.459 468 L N 2.502 123.804 121.223 0.132 0.000 2.314 468 L HA 0.383 4.723 4.340 0.001 0.000 0.275 468 L C -0.851 176.103 176.870 0.140 0.000 1.068 468 L CA 0.052 54.960 54.840 0.113 0.000 0.894 468 L CB 0.525 42.642 42.059 0.096 0.000 1.275 468 L HN 0.698 nan 8.230 nan 0.000 0.432 469 S N 3.305 119.043 115.700 0.063 0.000 2.739 469 S HA 0.706 5.177 4.470 0.001 0.000 0.306 469 S C -2.098 172.378 174.600 -0.206 0.000 1.115 469 S CA -1.342 56.785 58.200 -0.122 0.000 0.985 469 S CB 1.237 64.428 63.200 -0.014 0.000 1.133 469 S HN 0.314 nan 8.310 nan 0.000 0.541 470 P HA -0.109 nan 4.420 nan 0.000 0.215 470 P C 1.085 178.370 177.300 -0.025 0.000 1.157 470 P CA 1.251 64.229 63.100 -0.203 0.000 0.874 470 P CB -0.193 31.367 31.700 -0.234 0.000 0.790 471 Y N 0.807 121.052 120.300 -0.092 0.000 2.163 471 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 471 Y C 2.565 178.480 175.900 0.025 0.000 1.136 471 Y CA 2.276 60.368 58.100 -0.014 0.000 1.147 471 Y CB -0.654 37.802 38.460 -0.007 0.000 0.987 471 Y HN -0.006 nan 8.280 nan 0.000 0.509 472 S N -0.224 115.608 115.700 0.220 0.000 2.402 472 S HA -0.185 4.286 4.470 0.001 0.000 0.229 472 S C 1.946 176.593 174.600 0.079 0.000 1.021 472 S CA 1.160 59.456 58.200 0.160 0.000 0.974 472 S CB -0.957 62.341 63.200 0.164 0.000 0.800 472 S HN 0.449 nan 8.310 nan 0.000 0.484 473 L N 2.718 123.968 121.223 0.046 0.000 2.017 473 L HA 0.185 4.525 4.340 0.001 0.000 0.208 473 L C 2.486 179.412 176.870 0.093 0.000 1.073 473 L CA 2.058 56.919 54.840 0.036 0.000 0.745 473 L CB -1.444 40.613 42.059 -0.004 0.000 0.894 473 L HN 0.382 nan 8.230 nan 0.000 0.432 474 G N -1.085 107.764 108.800 0.082 0.000 2.440 474 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 474 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 474 G C 1.605 176.583 174.900 0.131 0.000 1.154 474 G CA 0.898 46.121 45.100 0.206 0.000 0.767 474 G HN 0.654 nan 8.290 nan 0.000 0.552 475 A N 0.456 123.270 122.820 -0.010 0.000 1.877 475 A HA 0.039 4.359 4.320 0.001 0.000 0.216 475 A C 2.365 180.009 177.584 0.100 0.000 1.186 475 A CA 1.730 53.770 52.037 0.005 0.000 0.620 475 A CB -0.502 18.506 19.000 0.013 0.000 0.822 475 A HN 0.456 nan 8.150 nan 0.000 0.443 476 L N 0.096 121.412 121.223 0.155 0.000 2.012 476 L HA -0.141 4.200 4.340 0.001 0.000 0.210 476 L C 2.240 179.364 176.870 0.423 0.000 1.073 476 L CA 1.892 56.881 54.840 0.249 0.000 0.748 476 L CB -0.468 41.701 42.059 0.182 0.000 0.891 476 L HN 0.452 nan 8.230 nan 0.000 0.431 477 I N -0.461 120.360 120.570 0.418 0.000 2.226 477 I HA -0.280 3.891 4.170 0.001 0.000 0.245 477 I C 2.580 178.932 176.117 0.392 0.000 1.100 477 I CA 1.201 62.800 61.300 0.498 0.000 1.374 477 I CB -0.726 37.521 38.000 0.411 0.000 1.057 477 I HN 0.348 nan 8.210 nan 0.000 0.413 478 A N 0.927 123.877 122.820 0.217 0.000 1.933 478 A HA -0.127 4.193 4.320 0.001 0.000 0.218 478 A C 2.317 179.826 177.584 -0.124 0.000 1.175 478 A CA 1.235 53.236 52.037 -0.059 0.000 0.628 478 A CB -0.795 18.099 19.000 -0.176 0.000 0.814 478 A HN 0.370 nan 8.150 nan 0.000 0.444 479 L N -2.076 119.139 121.223 -0.014 0.000 2.013 479 L HA -0.264 4.077 4.340 0.001 0.000 0.212 479 L C 2.585 179.351 176.870 -0.174 0.000 1.073 479 L CA 1.765 56.529 54.840 -0.127 0.000 0.753 479 L CB -0.703 41.245 42.059 -0.185 0.000 0.890 479 L HN 0.478 nan 8.230 nan 0.000 0.432 480 Y N 0.035 120.368 120.300 0.055 0.000 2.242 480 Y HA -0.194 4.356 4.550 0.001 0.000 0.291 480 Y C 2.597 178.518 175.900 0.035 0.000 1.137 480 Y CA 1.107 59.242 58.100 0.060 0.000 1.181 480 Y CB -0.302 38.225 38.460 0.113 0.000 0.989 480 Y HN 0.191 nan 8.280 nan 0.000 0.527 481 E N -0.750 119.549 120.200 0.165 0.000 2.070 481 E HA -0.249 4.102 4.350 0.001 0.000 0.197 481 E C 1.839 178.450 176.600 0.020 0.000 1.004 481 E CA 1.554 58.029 56.400 0.125 0.000 0.805 481 E CB -0.229 29.488 29.700 0.028 0.000 0.744 481 E HN 0.586 nan 8.360 nan 0.000 0.451 482 H N 0.433 119.444 119.070 -0.099 0.000 2.428 482 H HA -0.007 4.550 4.556 0.001 0.000 0.296 482 H C 1.999 177.154 175.328 -0.287 0.000 1.062 482 H CA 0.961 56.768 56.048 -0.401 0.000 1.350 482 H CB -0.130 28.973 29.762 -1.098 0.000 1.403 482 H HN 0.107 nan 8.280 nan 0.000 0.533 483 K N 1.114 121.451 120.400 -0.104 0.000 2.044 483 K HA -0.147 4.174 4.320 0.001 0.000 0.210 483 K C 2.099 178.671 176.600 -0.047 0.000 1.049 483 K CA 1.553 57.776 56.287 -0.108 0.000 0.927 483 K CB -0.207 32.227 32.500 -0.110 0.000 0.713 483 K HN 0.140 nan 8.250 nan 0.000 0.443 484 I N 0.596 121.200 120.570 0.057 0.000 2.226 484 I HA -0.268 3.903 4.170 0.001 0.000 0.245 484 I C 2.346 178.531 176.117 0.113 0.000 1.100 484 I CA 1.032 62.384 61.300 0.086 0.000 1.374 484 I CB -0.374 37.719 38.000 0.155 0.000 1.057 484 I HN 0.195 nan 8.210 nan 0.000 0.413 485 F N 1.506 121.478 119.950 0.036 0.000 2.069 485 F HA -0.215 4.312 4.527 0.001 0.000 0.298 485 F C 2.361 178.163 175.800 0.004 0.000 1.113 485 F CA 1.641 59.699 58.000 0.097 0.000 1.214 485 F CB -0.837 38.290 39.000 0.211 0.000 0.978 485 F HN -0.190 nan 8.300 nan 0.000 0.474 486 V N 0.838 120.630 119.914 -0.205 0.000 2.287 486 V HA -0.345 3.776 4.120 0.001 0.000 0.248 486 V C 2.469 178.279 176.094 -0.472 0.000 1.053 486 V CA 2.314 64.368 62.300 -0.410 0.000 1.027 486 V CB -0.928 30.713 31.823 -0.303 0.000 0.646 486 V HN 0.414 nan 8.190 nan 0.000 0.447 487 Q N 0.001 119.520 119.800 -0.468 0.000 2.061 487 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 487 Q C 2.418 178.025 176.000 -0.655 0.000 0.984 487 Q CA 1.854 57.183 55.803 -0.791 0.000 0.846 487 Q CB -0.664 27.604 28.738 -0.782 0.000 0.902 487 Q HN 0.728 nan 8.270 nan 0.000 0.421 488 G N 0.354 109.021 108.800 -0.222 0.000 2.440 488 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 488 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 488 G C 1.527 176.416 174.900 -0.018 0.000 1.154 488 G CA 1.025 46.137 45.100 0.019 0.000 0.767 488 G HN 0.219 nan 8.290 nan 0.000 0.552 489 V N 0.990 120.802 119.914 -0.170 0.000 2.295 489 V HA -0.132 3.989 4.120 0.001 0.000 0.246 489 V C 2.922 178.919 176.094 -0.162 0.000 1.049 489 V CA 1.571 63.770 62.300 -0.170 0.000 1.024 489 V CB -0.447 31.168 31.823 -0.346 0.000 0.648 489 V HN 0.362 nan 8.190 nan 0.000 0.447 490 L N -1.526 119.498 121.223 -0.332 0.000 2.131 490 L HA -0.175 4.165 4.340 0.001 0.000 0.210 490 L C 2.315 179.091 176.870 -0.156 0.000 1.092 490 L CA 1.365 55.990 54.840 -0.358 0.000 0.759 490 L CB -0.501 41.106 42.059 -0.753 0.000 0.903 490 L HN 0.448 nan 8.230 nan 0.000 0.435 491 W N -0.372 120.869 121.300 -0.099 0.000 3.180 491 W HA 0.028 4.689 4.660 0.001 0.000 0.254 491 W C 0.798 177.414 176.519 0.161 0.000 1.318 491 W CA 0.102 57.478 57.345 0.053 0.000 1.608 491 W CB -0.781 28.763 29.460 0.140 0.000 1.124 491 W HN 0.276 nan 8.180 nan 0.000 0.694 492 D N 0.688 121.245 120.400 0.262 0.000 2.772 492 D HA -0.212 4.429 4.640 0.001 0.000 0.233 492 D C -0.022 176.408 176.300 0.216 0.000 1.143 492 D CA 0.865 54.990 54.000 0.208 0.000 0.700 492 D CB -1.325 39.599 40.800 0.205 0.000 1.076 492 D HN 0.306 nan 8.370 nan 0.000 0.430 493 I N -3.981 116.725 120.570 0.227 0.000 2.982 493 I HA 0.542 4.713 4.170 0.001 0.000 0.312 493 I C 0.375 176.582 176.117 0.150 0.000 1.041 493 I CA -1.157 60.253 61.300 0.182 0.000 1.053 493 I CB 1.457 39.572 38.000 0.191 0.000 1.248 493 I HN -0.145 nan 8.210 nan 0.000 0.471 494 N N 2.042 120.819 118.700 0.128 0.000 2.469 494 N HA 0.218 4.959 4.740 0.001 0.000 0.239 494 N C 0.216 175.733 175.510 0.012 0.000 1.053 494 N CA -0.020 53.102 53.050 0.120 0.000 0.937 494 N CB 0.888 39.467 38.487 0.153 0.000 1.163 494 N HN 0.647 nan 8.380 nan 0.000 0.509 495 S N 2.625 118.225 115.700 -0.167 0.000 2.555 495 S HA -0.036 4.434 4.470 0.001 0.000 0.230 495 S C 0.320 174.553 174.600 -0.612 0.000 0.978 495 S CA 0.657 58.579 58.200 -0.464 0.000 0.934 495 S CB -0.164 62.605 63.200 -0.719 0.000 0.766 495 S HN 0.634 nan 8.310 nan 0.000 0.533 496 Y N 1.165 121.543 120.300 0.130 0.000 2.481 496 Y HA 0.253 4.804 4.550 0.001 0.000 0.247 496 Y C 0.453 176.371 175.900 0.031 0.000 1.151 496 Y CA -1.435 56.729 58.100 0.108 0.000 1.238 496 Y CB -0.017 38.494 38.460 0.084 0.000 1.179 496 Y HN 0.242 nan 8.280 nan 0.000 0.524 497 D N -0.334 120.092 120.400 0.043 0.000 2.487 497 D HA 0.321 4.961 4.640 0.001 0.000 0.262 497 D C -0.003 176.175 176.300 -0.203 0.000 1.130 497 D CA -0.764 53.141 54.000 -0.159 0.000 1.038 497 D CB 0.766 41.455 40.800 -0.184 0.000 1.142 497 D HN 0.034 nan 8.370 nan 0.000 0.575 498 Q N -0.479 119.070 119.800 -0.419 0.000 3.576 498 Q HA 0.112 4.453 4.340 0.001 0.000 0.249 498 Q C -0.848 175.018 176.000 -0.223 0.000 0.771 498 Q CA -0.526 55.138 55.803 -0.231 0.000 0.897 498 Q CB -1.288 27.354 28.738 -0.160 0.000 1.551 498 Q HN 0.759 nan 8.270 nan 0.000 0.388 499 W N 0.817 122.125 121.300 0.014 0.000 2.595 499 W HA 0.145 4.806 4.660 0.001 0.000 0.257 499 W C 1.956 178.476 176.519 0.001 0.000 1.267 499 W CA 0.874 58.225 57.345 0.010 0.000 1.300 499 W CB 0.268 29.733 29.460 0.009 0.000 1.120 499 W HN 0.612 nan 8.180 nan 0.000 0.618 500 G N 0.557 109.467 108.800 0.183 0.000 2.509 500 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 500 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 500 G C 1.386 176.327 174.900 0.068 0.000 1.124 500 G CA 1.332 46.496 45.100 0.107 0.000 0.776 500 G HN 0.293 nan 8.290 nan 0.000 0.547 501 V N -1.831 118.114 119.914 0.052 0.000 3.406 501 V HA 0.167 4.288 4.120 0.001 0.000 0.263 501 V C 2.052 178.172 176.094 0.044 0.000 1.172 501 V CA 1.642 63.958 62.300 0.026 0.000 1.140 501 V CB 0.139 31.958 31.823 -0.006 0.000 0.784 501 V HN 0.447 nan 8.190 nan 0.000 0.467 502 E N 0.591 120.844 120.200 0.088 0.000 2.077 502 E HA -0.251 4.100 4.350 0.001 0.000 0.193 502 E C 2.067 178.708 176.600 0.068 0.000 0.989 502 E CA 1.754 58.213 56.400 0.099 0.000 0.800 502 E CB -0.147 29.662 29.700 0.183 0.000 0.746 502 E HN 0.591 nan 8.360 nan 0.000 0.452 503 L N 0.804 122.064 121.223 0.061 0.000 2.017 503 L HA -0.024 4.317 4.340 0.001 0.000 0.208 503 L C 2.320 179.205 176.870 0.025 0.000 1.073 503 L CA 2.509 57.372 54.840 0.039 0.000 0.745 503 L CB -1.032 41.046 42.059 0.031 0.000 0.894 503 L HN 0.203 nan 8.230 nan 0.000 0.432 504 G N -0.903 107.909 108.800 0.020 0.000 2.432 504 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 504 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 504 G C 1.654 176.560 174.900 0.010 0.000 1.135 504 G CA 0.834 45.940 45.100 0.010 0.000 0.767 504 G HN 0.448 nan 8.290 nan 0.000 0.550 505 K N 0.158 120.567 120.400 0.016 0.000 2.057 505 K HA -0.013 4.307 4.320 0.001 0.000 0.206 505 K C 2.388 178.999 176.600 0.018 0.000 1.050 505 K CA 1.190 57.486 56.287 0.015 0.000 0.935 505 K CB -0.104 32.408 32.500 0.019 0.000 0.715 505 K HN 0.256 nan 8.250 nan 0.000 0.439 506 K N 1.404 121.819 120.400 0.024 0.000 2.026 506 K HA -0.094 4.226 4.320 0.001 0.000 0.208 506 K C 2.015 178.624 176.600 0.016 0.000 1.048 506 K CA 1.050 57.351 56.287 0.023 0.000 0.929 506 K CB -0.022 32.494 32.500 0.027 0.000 0.713 506 K HN 0.039 nan 8.250 nan 0.000 0.439 507 L N 0.039 121.269 121.223 0.012 0.000 2.131 507 L HA -0.087 4.254 4.340 0.001 0.000 0.210 507 L C 2.537 179.410 176.870 0.005 0.000 1.092 507 L CA 1.206 56.049 54.840 0.005 0.000 0.759 507 L CB -0.755 41.304 42.059 0.000 0.000 0.903 507 L HN 0.447 nan 8.230 nan 0.000 0.435 508 G N 0.274 109.078 108.800 0.006 0.000 2.418 508 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 508 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 508 G C 1.710 176.615 174.900 0.009 0.000 1.158 508 G CA 0.393 45.496 45.100 0.005 0.000 0.771 508 G HN 0.299 nan 8.290 nan 0.000 0.545 509 K N 0.375 120.782 120.400 0.012 0.000 2.057 509 K HA -0.081 4.239 4.320 0.001 0.000 0.207 509 K C 2.381 178.992 176.600 0.018 0.000 1.049 509 K CA 1.194 57.490 56.287 0.015 0.000 0.931 509 K CB -0.153 32.357 32.500 0.017 0.000 0.714 509 K HN 0.140 nan 8.250 nan 0.000 0.440 510 N N 1.229 119.939 118.700 0.017 0.000 2.120 510 N HA -0.123 4.618 4.740 0.001 0.000 0.188 510 N C 1.853 177.378 175.510 0.024 0.000 1.024 510 N CA 1.134 54.195 53.050 0.020 0.000 0.852 510 N CB -0.241 38.254 38.487 0.013 0.000 1.003 510 N HN 0.166 nan 8.380 nan 0.000 0.424 511 I N 0.652 121.232 120.570 0.016 0.000 2.315 511 I HA -0.190 3.981 4.170 0.001 0.000 0.248 511 I C 2.099 178.235 176.117 0.032 0.000 1.117 511 I CA 0.610 61.922 61.300 0.019 0.000 1.404 511 I CB -0.123 37.880 38.000 0.005 0.000 1.071 511 I HN 0.077 nan 8.210 nan 0.000 0.419 512 L N 0.470 121.709 121.223 0.026 0.000 2.046 512 L HA -0.249 4.092 4.340 0.001 0.000 0.208 512 L C 2.618 179.509 176.870 0.035 0.000 1.077 512 L CA 1.557 56.414 54.840 0.027 0.000 0.747 512 L CB -0.417 41.653 42.059 0.019 0.000 0.896 512 L HN 0.186 nan 8.230 nan 0.000 0.432 513 K N -0.362 120.060 120.400 0.037 0.000 2.032 513 K HA -0.190 4.130 4.320 0.001 0.000 0.209 513 K C 2.167 178.807 176.600 0.066 0.000 1.048 513 K CA 1.458 57.771 56.287 0.042 0.000 0.927 513 K CB -0.272 32.251 32.500 0.039 0.000 0.712 513 K HN 0.304 nan 8.250 nan 0.000 0.441 514 A N 1.295 124.173 122.820 0.096 0.000 1.940 514 A HA -0.195 4.125 4.320 0.001 0.000 0.219 514 A C 2.114 179.815 177.584 0.195 0.000 1.176 514 A CA 1.673 53.824 52.037 0.190 0.000 0.631 514 A CB -0.513 18.597 19.000 0.183 0.000 0.814 514 A HN 0.232 nan 8.150 nan 0.000 0.446 515 M N -0.432 119.238 119.600 0.118 0.000 2.213 515 M HA -0.118 4.363 4.480 0.001 0.000 0.263 515 M C 1.143 177.475 176.300 0.052 0.000 1.062 515 M CA 1.135 56.489 55.300 0.090 0.000 1.105 515 M CB -0.264 32.370 32.600 0.056 0.000 1.385 515 M HN 0.367 nan 8.290 nan 0.000 0.417 516 N N -0.509 118.214 118.700 0.038 0.000 2.254 516 N HA 0.025 4.766 4.740 0.001 0.000 0.190 516 N C -0.484 175.021 175.510 -0.008 0.000 1.107 516 N CA 0.533 53.590 53.050 0.012 0.000 0.869 516 N CB 0.602 39.097 38.487 0.013 0.000 0.983 516 N HN 0.174 nan 8.380 nan 0.000 0.487 517 D N 0.453 120.846 120.400 -0.012 0.000 2.365 517 D HA 0.029 4.669 4.640 0.001 0.000 0.235 517 D C -0.358 175.875 176.300 -0.111 0.000 1.368 517 D CA -0.433 53.536 54.000 -0.050 0.000 1.001 517 D CB 0.765 41.553 40.800 -0.019 0.000 1.364 517 D HN -0.038 nan 8.370 nan 0.000 0.577 518 D N 0.931 121.160 120.400 -0.285 0.000 2.363 518 D HA -0.097 4.543 4.640 0.001 0.000 0.226 518 D C 1.145 177.175 176.300 -0.449 0.000 1.020 518 D CA 0.482 54.044 54.000 -0.731 0.000 0.892 518 D CB -0.004 40.179 40.800 -1.028 0.000 0.900 518 D HN 0.156 nan 8.370 nan 0.000 0.531 519 S N -0.766 114.823 115.700 -0.185 0.000 2.575 519 S HA 0.079 4.549 4.470 0.001 0.000 0.215 519 S C 0.791 175.387 174.600 -0.007 0.000 0.966 519 S CA -0.305 57.849 58.200 -0.077 0.000 0.911 519 S CB -0.621 62.544 63.200 -0.059 0.000 0.780 519 S HN 0.264 nan 8.310 nan 0.000 0.514 520 S N 1.234 116.945 115.700 0.019 0.000 2.593 520 S HA 0.279 4.749 4.470 0.001 0.000 0.269 520 S C 0.347 174.999 174.600 0.087 0.000 1.334 520 S CA -0.406 57.826 58.200 0.053 0.000 1.015 520 S CB 0.579 63.817 63.200 0.063 0.000 0.912 520 S HN 0.167 nan 8.310 nan 0.000 0.541 521 D N 1.458 121.895 120.400 0.061 0.000 2.123 521 D HA -0.092 4.548 4.640 0.001 0.000 0.196 521 D C 1.782 178.122 176.300 0.066 0.000 0.992 521 D CA 1.668 55.703 54.000 0.057 0.000 0.833 521 D CB -0.473 40.348 40.800 0.036 0.000 0.954 521 D HN 0.756 nan 8.370 nan 0.000 0.455 522 E N -0.240 119.999 120.200 0.066 0.000 2.086 522 E HA -0.225 4.126 4.350 0.001 0.000 0.200 522 E C 1.973 178.618 176.600 0.075 0.000 1.012 522 E CA 0.991 57.426 56.400 0.059 0.000 0.812 522 E CB -0.490 29.246 29.700 0.060 0.000 0.743 522 E HN 0.482 nan 8.360 nan 0.000 0.453 523 Y N 0.970 121.271 120.300 0.001 0.000 2.200 523 Y HA -0.242 4.309 4.550 0.001 0.000 0.290 523 Y C 2.513 178.413 175.900 0.000 0.000 1.137 523 Y CA 1.995 60.095 58.100 0.001 0.000 1.163 523 Y CB -0.001 38.459 38.460 0.001 0.000 0.988 523 Y HN 0.060 nan 8.280 nan 0.000 0.518 524 Q N 0.050 119.967 119.800 0.194 0.000 2.124 524 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 524 Q C 1.257 177.259 176.000 0.003 0.000 0.977 524 Q CA 1.743 57.611 55.803 0.108 0.000 0.850 524 Q CB -0.095 28.704 28.738 0.103 0.000 0.901 524 Q HN 0.458 nan 8.270 nan 0.000 0.429 525 N N 0.096 118.792 118.700 -0.008 0.000 2.463 525 N HA 0.056 4.796 4.740 0.001 0.000 0.181 525 N C -0.031 175.443 175.510 -0.061 0.000 1.078 525 N CA 0.249 53.283 53.050 -0.026 0.000 0.902 525 N CB 0.001 38.483 38.487 -0.009 0.000 0.970 525 N HN 0.233 nan 8.380 nan 0.000 0.451 526 L N 2.348 123.502 121.223 -0.114 0.000 2.514 526 L HA -0.042 4.299 4.340 0.001 0.000 0.280 526 L C 1.004 177.803 176.870 -0.118 0.000 1.223 526 L CA -0.027 54.727 54.840 -0.143 0.000 0.864 526 L CB 0.218 42.122 42.059 -0.259 0.000 1.118 526 L HN 0.248 nan 8.230 nan 0.000 0.494 527 D N 1.170 121.516 120.400 -0.089 0.000 2.368 527 D HA -0.102 4.538 4.640 0.001 0.000 0.240 527 D C 0.222 176.467 176.300 -0.091 0.000 1.169 527 D CA -0.439 53.517 54.000 -0.074 0.000 0.906 527 D CB 1.210 41.978 40.800 -0.054 0.000 1.187 527 D HN 0.546 nan 8.370 nan 0.000 0.435 528 D N 0.025 120.382 120.400 -0.072 0.000 2.312 528 D HA -0.152 4.489 4.640 0.001 0.000 0.211 528 D C 1.948 178.212 176.300 -0.060 0.000 0.964 528 D CA 0.779 54.736 54.000 -0.072 0.000 0.877 528 D CB 0.111 40.883 40.800 -0.047 0.000 0.924 528 D HN 0.360 nan 8.370 nan 0.000 0.515 529 S N -1.403 114.267 115.700 -0.050 0.000 2.345 529 S HA -0.146 4.325 4.470 0.001 0.000 0.220 529 S C 1.940 176.512 174.600 -0.047 0.000 1.031 529 S CA 1.987 60.163 58.200 -0.040 0.000 0.996 529 S CB -0.601 62.580 63.200 -0.032 0.000 0.882 529 S HN 0.275 nan 8.310 nan 0.000 0.445 530 T N 2.084 116.603 114.554 -0.059 0.000 2.720 530 T HA -0.111 4.240 4.350 0.001 0.000 0.268 530 T C 1.960 176.608 174.700 -0.086 0.000 1.037 530 T CA 1.545 63.606 62.100 -0.064 0.000 1.144 530 T CB -0.386 68.439 68.868 -0.071 0.000 0.864 530 T HN 0.432 nan 8.240 nan 0.000 0.444 531 R N 0.601 121.019 120.500 -0.137 0.000 2.081 531 R HA -0.116 4.224 4.340 0.001 0.000 0.235 531 R C 2.405 178.666 176.300 -0.064 0.000 1.131 531 R CA 1.255 57.241 56.100 -0.190 0.000 0.960 531 R CB -0.075 30.053 30.300 -0.286 0.000 0.856 531 R HN 0.291 nan 8.270 nan 0.000 0.436 532 Q N 0.379 120.155 119.800 -0.041 0.000 2.230 532 Q HA -0.070 4.270 4.340 0.001 0.000 0.202 532 Q C 2.232 178.233 176.000 0.001 0.000 0.963 532 Q CA 0.884 56.684 55.803 -0.006 0.000 0.866 532 Q CB -0.081 28.653 28.738 -0.007 0.000 0.931 532 Q HN 0.415 nan 8.270 nan 0.000 0.452 533 L N -0.014 121.204 121.223 -0.009 0.000 2.046 533 L HA -0.160 4.180 4.340 0.001 0.000 0.208 533 L C 2.320 179.196 176.870 0.010 0.000 1.077 533 L CA 0.939 55.778 54.840 -0.002 0.000 0.747 533 L CB -0.411 41.642 42.059 -0.010 0.000 0.896 533 L HN 0.151 nan 8.230 nan 0.000 0.432 534 I N -0.264 120.315 120.570 0.015 0.000 2.226 534 I HA -0.299 3.872 4.170 0.001 0.000 0.245 534 I C 2.786 178.939 176.117 0.061 0.000 1.100 534 I CA 1.178 62.504 61.300 0.043 0.000 1.374 534 I CB -0.435 37.605 38.000 0.067 0.000 1.057 534 I HN 0.210 nan 8.210 nan 0.000 0.413 535 A N 0.628 123.490 122.820 0.070 0.000 1.908 535 A HA -0.208 4.113 4.320 0.001 0.000 0.218 535 A C 2.282 179.889 177.584 0.040 0.000 1.181 535 A CA 1.523 53.601 52.037 0.069 0.000 0.627 535 A CB -0.356 18.687 19.000 0.073 0.000 0.818 535 A HN 0.230 nan 8.150 nan 0.000 0.445 536 K N -0.160 120.257 120.400 0.028 0.000 2.148 536 K HA -0.067 4.253 4.320 0.001 0.000 0.204 536 K C 1.754 178.364 176.600 0.017 0.000 1.050 536 K CA 1.525 57.823 56.287 0.018 0.000 0.942 536 K CB -0.693 31.814 32.500 0.012 0.000 0.724 536 K HN 0.613 nan 8.250 nan 0.000 0.446 537 V N -1.602 118.323 119.914 0.019 0.000 3.646 537 V HA 0.108 4.229 4.120 0.001 0.000 0.277 537 V C 1.474 177.579 176.094 0.019 0.000 1.274 537 V CA 0.649 62.959 62.300 0.017 0.000 1.164 537 V CB -0.312 31.520 31.823 0.015 0.000 0.926 537 V HN 0.051 nan 8.190 nan 0.000 0.442 538 K N 0.455 120.868 120.400 0.023 0.000 2.262 538 K HA 0.270 4.590 4.320 0.001 0.000 0.200 538 K C 0.596 177.205 176.600 0.014 0.000 1.058 538 K CA 0.372 56.670 56.287 0.019 0.000 0.974 538 K CB 0.218 32.732 32.500 0.024 0.000 0.910 538 K HN 0.529 nan 8.250 nan 0.000 0.484 539 N N 0.000 118.710 118.700 0.016 0.000 1.763 539 N HA 0.000 4.741 4.740 0.001 0.000 0.220 539 N CA 0.000 53.057 53.050 0.012 0.000 0.885 539 N CB 0.000 38.495 38.487 0.013 0.000 1.341 539 N HN 0.000 nan 8.380 nan 0.000 0.667