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 2h3u_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVMFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.404 174.600 -0.327 0.000 1.055 27 S CA 0.000 57.758 58.200 -0.737 0.000 1.107 27 S CB 0.000 63.182 63.200 -0.031 0.000 0.593 28 H N 1.546 120.503 119.070 -0.189 0.000 3.217 28 H HA 0.162 4.720 4.556 0.003 0.000 0.272 28 H C 1.438 176.749 175.328 -0.028 0.000 0.929 28 H CA 0.929 56.931 56.048 -0.077 0.000 1.425 28 H CB 0.130 29.883 29.762 -0.015 0.000 1.505 28 H HN 0.552 nan 8.280 nan 0.000 0.542 29 M N 4.008 123.667 119.600 0.098 0.000 2.106 29 M HA -0.258 4.224 4.480 0.003 0.000 0.259 29 M C 2.389 178.772 176.300 0.138 0.000 1.068 29 M CA 2.053 57.401 55.300 0.080 0.000 1.100 29 M CB -0.280 32.324 32.600 0.006 0.000 1.351 29 M HN 0.744 nan 8.290 nan 0.000 0.404 30 A N -0.841 122.155 122.820 0.294 0.000 1.948 30 A HA -0.267 4.055 4.320 0.003 0.000 0.220 30 A C 1.764 179.375 177.584 0.046 0.000 1.177 30 A CA 2.351 54.468 52.037 0.133 0.000 0.636 30 A CB -1.034 18.032 19.000 0.111 0.000 0.815 30 A HN 0.624 nan 8.150 nan 0.000 0.449 31 H N -0.743 118.302 119.070 -0.042 0.000 2.307 31 H HA -0.047 4.511 4.556 0.003 0.000 0.303 31 H C 2.173 177.478 175.328 -0.039 0.000 1.073 31 H CA 1.850 57.854 56.048 -0.073 0.000 1.338 31 H CB -0.119 29.592 29.762 -0.085 0.000 1.389 31 H HN 0.344 nan 8.280 nan 0.000 0.503 32 Q N 0.471 120.240 119.800 -0.052 0.000 2.197 32 Q HA -0.151 4.191 4.340 0.003 0.000 0.207 32 Q C 1.614 177.439 176.000 -0.291 0.000 0.984 32 Q CA 1.446 57.174 55.803 -0.126 0.000 0.869 32 Q CB -0.130 28.625 28.738 0.028 0.000 0.906 32 Q HN 0.681 nan 8.270 nan 0.000 0.426 33 D N 0.036 120.310 120.400 -0.211 0.000 2.194 33 D HA -0.027 4.615 4.640 0.003 0.000 0.204 33 D C 1.544 177.745 176.300 -0.163 0.000 0.964 33 D CA 1.033 54.912 54.000 -0.203 0.000 0.846 33 D CB 0.151 40.881 40.800 -0.116 0.000 0.962 33 D HN 0.207 nan 8.370 nan 0.000 0.490 34 A N 0.562 123.288 122.820 -0.157 0.000 2.168 34 A HA 0.035 4.357 4.320 0.003 0.000 0.215 34 A C 1.261 178.763 177.584 -0.137 0.000 1.152 34 A CA 0.163 52.126 52.037 -0.124 0.000 0.716 34 A CB -0.267 18.670 19.000 -0.105 0.000 0.794 34 A HN 0.136 nan 8.150 nan 0.000 0.465 35 L N 1.562 122.667 121.223 -0.196 0.000 2.397 35 L HA 0.248 4.590 4.340 0.003 0.000 0.271 35 L C -1.916 174.943 176.870 -0.018 0.000 1.148 35 L CA -1.951 52.806 54.840 -0.139 0.000 0.825 35 L CB 0.605 42.563 42.059 -0.167 0.000 1.117 35 L HN 0.140 nan 8.230 nan 0.000 0.456 36 P HA 0.177 nan 4.420 nan 0.000 0.275 36 P C -0.909 176.589 177.300 0.331 0.000 1.228 36 P CA -0.598 62.618 63.100 0.193 0.000 0.786 36 P CB 0.894 32.749 31.700 0.259 0.000 0.927 37 R N 1.165 121.798 120.500 0.222 0.000 2.490 37 R HA 0.328 4.670 4.340 0.003 0.000 0.278 37 R C -0.114 176.189 176.300 0.006 0.000 1.069 37 R CA -1.013 55.185 56.100 0.164 0.000 1.080 37 R CB -0.542 29.819 30.300 0.102 0.000 1.030 37 R HN 0.424 nan 8.270 nan 0.000 0.491 38 L N 5.701 126.854 121.223 -0.116 0.000 2.584 38 L HA 0.112 4.454 4.340 0.003 0.000 0.272 38 L C -1.897 174.844 176.870 -0.215 0.000 1.195 38 L CA -0.454 54.108 54.840 -0.464 0.000 0.920 38 L CB 0.091 41.936 42.059 -0.357 0.000 1.173 38 L HN 0.574 nan 8.230 nan 0.000 0.489 39 P HA 0.156 nan 4.420 nan 0.000 0.276 39 P C -1.312 176.008 177.300 0.034 0.000 1.261 39 P CA -0.427 62.593 63.100 -0.133 0.000 0.800 39 P CB 1.241 32.826 31.700 -0.191 0.000 1.066 40 V N 2.183 122.030 119.914 -0.111 0.000 2.326 40 V HA 0.254 4.376 4.120 0.003 0.000 0.281 40 V C -2.068 173.844 176.094 -0.302 0.000 1.015 40 V CA -1.709 60.399 62.300 -0.319 0.000 0.823 40 V CB 0.676 32.207 31.823 -0.486 0.000 1.009 40 V HN 0.545 nan 8.190 nan 0.000 0.436 41 P HA 0.194 nan 4.420 nan 0.000 0.269 41 P C -2.623 174.608 177.300 -0.116 0.000 1.217 41 P CA -0.929 62.081 63.100 -0.150 0.000 0.783 41 P CB -0.097 31.609 31.700 0.010 0.000 0.898 42 P HA -0.008 nan 4.420 nan 0.000 0.268 42 P C 0.694 178.101 177.300 0.178 0.000 1.205 42 P CA -0.178 62.958 63.100 0.060 0.000 0.771 42 P CB 0.358 32.078 31.700 0.034 0.000 0.858 43 L N 3.777 125.094 121.223 0.156 0.000 1.994 43 L HA -0.207 4.135 4.340 0.003 0.000 0.208 43 L C 2.209 179.117 176.870 0.064 0.000 1.071 43 L CA 1.993 56.924 54.840 0.151 0.000 0.745 43 L CB -1.331 40.758 42.059 0.049 0.000 0.892 43 L HN 0.409 nan 8.230 nan 0.000 0.431 44 Q N -1.091 118.718 119.800 0.015 0.000 2.124 44 Q HA -0.273 4.069 4.340 0.003 0.000 0.202 44 Q C 2.330 178.290 176.000 -0.067 0.000 0.977 44 Q CA 1.883 57.670 55.803 -0.028 0.000 0.850 44 Q CB -0.227 28.488 28.738 -0.039 0.000 0.901 44 Q HN 0.747 nan 8.270 nan 0.000 0.429 45 Q N -0.354 119.410 119.800 -0.060 0.000 2.030 45 Q HA -0.178 4.164 4.340 0.003 0.000 0.204 45 Q C 2.077 177.967 176.000 -0.184 0.000 0.986 45 Q CA 2.001 57.702 55.803 -0.170 0.000 0.843 45 Q CB -0.109 28.592 28.738 -0.061 0.000 0.904 45 Q HN 0.332 nan 8.270 nan 0.000 0.420 46 S N 0.834 116.589 115.700 0.091 0.000 2.368 46 S HA -0.112 4.360 4.470 0.003 0.000 0.225 46 S C 1.926 176.528 174.600 0.003 0.000 1.030 46 S CA 1.160 59.501 58.200 0.235 0.000 0.999 46 S CB -0.253 63.182 63.200 0.392 0.000 0.844 46 S HN 0.367 nan 8.310 nan 0.000 0.459 47 L N 1.107 122.302 121.223 -0.046 0.000 2.191 47 L HA -0.148 4.194 4.340 0.003 0.000 0.212 47 L C 2.332 179.149 176.870 -0.088 0.000 1.103 47 L CA 1.260 56.061 54.840 -0.065 0.000 0.769 47 L CB -0.560 41.476 42.059 -0.038 0.000 0.908 47 L HN 0.293 nan 8.230 nan 0.000 0.438 48 D N -0.489 119.824 120.400 -0.144 0.000 2.084 48 D HA -0.233 4.409 4.640 0.003 0.000 0.196 48 D C 2.068 178.304 176.300 -0.107 0.000 0.985 48 D CA 1.543 55.444 54.000 -0.164 0.000 0.826 48 D CB -0.059 40.571 40.800 -0.283 0.000 0.978 48 D HN 0.185 nan 8.370 nan 0.000 0.456 49 Y N -0.556 119.702 120.300 -0.070 0.000 2.274 49 Y HA -0.124 4.428 4.550 0.003 0.000 0.290 49 Y C 2.151 177.884 175.900 -0.277 0.000 1.145 49 Y CA 0.880 58.935 58.100 -0.074 0.000 1.203 49 Y CB -1.232 37.271 38.460 0.073 0.000 0.984 49 Y HN 0.160 nan 8.280 nan 0.000 0.533 50 Y N 0.447 120.319 120.300 -0.714 0.000 2.097 50 Y HA -0.249 4.303 4.550 0.003 0.000 0.282 50 Y C 2.086 177.843 175.900 -0.238 0.000 1.152 50 Y CA 1.417 58.943 58.100 -0.956 0.000 1.136 50 Y CB -0.857 37.117 38.460 -0.809 0.000 0.975 50 Y HN 0.059 nan 8.280 nan 0.000 0.498 51 L N 0.033 121.073 121.223 -0.306 0.000 2.042 51 L HA -0.265 4.077 4.340 0.003 0.000 0.210 51 L C 2.514 179.514 176.870 0.215 0.000 1.076 51 L CA 1.833 56.561 54.840 -0.188 0.000 0.749 51 L CB -0.592 41.396 42.059 -0.118 0.000 0.893 51 L HN 0.161 nan 8.230 nan 0.000 0.432 52 K N 0.126 120.632 120.400 0.177 0.000 2.026 52 K HA -0.130 4.192 4.320 0.003 0.000 0.208 52 K C 2.171 178.897 176.600 0.211 0.000 1.048 52 K CA 1.430 57.844 56.287 0.213 0.000 0.929 52 K CB -0.284 32.345 32.500 0.214 0.000 0.713 52 K HN 0.275 nan 8.250 nan 0.000 0.439 53 A N 0.871 123.839 122.820 0.245 0.000 2.121 53 A HA -0.065 4.257 4.320 0.003 0.000 0.218 53 A C 1.938 179.658 177.584 0.226 0.000 1.154 53 A CA 1.058 53.287 52.037 0.319 0.000 0.679 53 A CB -0.382 18.961 19.000 0.572 0.000 0.795 53 A HN 0.162 nan 8.150 nan 0.000 0.458 54 L N -1.665 119.638 121.223 0.133 0.000 2.202 54 L HA -0.103 4.239 4.340 0.003 0.000 0.205 54 L C 2.677 179.661 176.870 0.191 0.000 1.083 54 L CA 1.049 55.953 54.840 0.106 0.000 0.790 54 L CB -0.425 41.588 42.059 -0.077 0.000 0.942 54 L HN 0.517 nan 8.230 nan 0.000 0.452 55 Q N 0.819 120.747 119.800 0.214 0.000 2.118 55 Q HA -0.222 4.120 4.340 0.003 0.000 0.211 55 Q C -0.740 175.276 176.000 0.027 0.000 0.998 55 Q CA 2.337 58.152 55.803 0.021 0.000 0.872 55 Q CB -0.661 27.980 28.738 -0.162 0.000 0.925 55 Q HN 0.332 nan 8.270 nan 0.000 0.414 56 P HA -0.056 nan 4.420 nan 0.000 0.241 56 P C 0.853 178.213 177.300 0.099 0.000 1.191 56 P CA 1.021 64.165 63.100 0.074 0.000 0.771 56 P CB -0.127 31.626 31.700 0.087 0.000 0.929 57 I N -3.305 117.329 120.570 0.107 0.000 4.154 57 I HA 0.246 4.418 4.170 0.003 0.000 0.334 57 I C 0.182 176.355 176.117 0.093 0.000 1.371 57 I CA -0.572 60.791 61.300 0.104 0.000 1.110 57 I CB 0.929 38.991 38.000 0.102 0.000 1.085 57 I HN -0.305 nan 8.210 nan 0.000 0.398 58 V N -0.682 119.294 119.914 0.103 0.000 2.962 58 V HA 0.705 4.827 4.120 0.003 0.000 0.313 58 V C 0.307 176.464 176.094 0.105 0.000 1.099 58 V CA -0.295 62.068 62.300 0.104 0.000 0.971 58 V CB 1.456 33.354 31.823 0.125 0.000 1.028 58 V HN 0.318 nan 8.190 nan 0.000 0.430 59 S N 1.431 117.186 115.700 0.093 0.000 2.584 59 S HA 0.227 4.699 4.470 0.003 0.000 0.270 59 S C 0.776 175.444 174.600 0.113 0.000 1.346 59 S CA 0.501 58.750 58.200 0.081 0.000 1.018 59 S CB 0.546 63.783 63.200 0.063 0.000 0.899 59 S HN 0.889 nan 8.310 nan 0.000 0.542 60 E N 1.017 121.265 120.200 0.080 0.000 2.118 60 E HA -0.192 4.160 4.350 0.003 0.000 0.195 60 E C 1.791 178.488 176.600 0.162 0.000 0.992 60 E CA 1.605 58.063 56.400 0.097 0.000 0.804 60 E CB -0.189 29.530 29.700 0.033 0.000 0.741 60 E HN 0.737 nan 8.360 nan 0.000 0.458 61 E N 1.123 121.390 120.200 0.112 0.000 2.058 61 E HA -0.194 4.158 4.350 0.003 0.000 0.194 61 E C 1.854 178.533 176.600 0.133 0.000 0.997 61 E CA 1.295 57.756 56.400 0.101 0.000 0.801 61 E CB -0.133 29.599 29.700 0.053 0.000 0.746 61 E HN 0.330 nan 8.360 nan 0.000 0.450 62 E N -0.668 119.613 120.200 0.134 0.000 2.110 62 E HA -0.184 4.168 4.350 0.003 0.000 0.193 62 E C 1.824 178.523 176.600 0.165 0.000 0.988 62 E CA 0.867 57.353 56.400 0.144 0.000 0.804 62 E CB -0.289 29.480 29.700 0.115 0.000 0.745 62 E HN 0.336 nan 8.360 nan 0.000 0.458 63 W N 1.548 122.857 121.300 0.015 0.000 2.355 63 W HA -0.191 4.471 4.660 0.003 0.000 0.309 63 W C 2.465 178.980 176.519 -0.007 0.000 1.206 63 W CA 2.090 59.423 57.345 -0.020 0.000 1.284 63 W CB -0.245 29.198 29.460 -0.028 0.000 1.145 63 W HN 0.041 nan 8.180 nan 0.000 0.502 64 A N -0.865 122.163 122.820 0.346 0.000 1.908 64 A HA -0.318 4.004 4.320 0.003 0.000 0.218 64 A C 2.043 179.653 177.584 0.044 0.000 1.181 64 A CA 2.029 54.196 52.037 0.217 0.000 0.627 64 A CB -1.571 17.562 19.000 0.223 0.000 0.818 64 A HN 0.646 nan 8.150 nan 0.000 0.445 65 H N -0.663 118.386 119.070 -0.036 0.000 2.321 65 H HA -0.114 4.444 4.556 0.003 0.000 0.300 65 H C 2.100 177.341 175.328 -0.146 0.000 1.087 65 H CA 1.859 57.865 56.048 -0.069 0.000 1.319 65 H CB 0.051 29.790 29.762 -0.038 0.000 1.379 65 H HN 0.446 nan 8.280 nan 0.000 0.501 66 T N 0.719 115.118 114.554 -0.259 0.000 2.759 66 T HA -0.151 4.201 4.350 0.003 0.000 0.269 66 T C 1.956 176.374 174.700 -0.470 0.000 1.042 66 T CA 1.641 63.506 62.100 -0.392 0.000 1.140 66 T CB -0.167 68.479 68.868 -0.370 0.000 0.864 66 T HN 0.209 nan 8.240 nan 0.000 0.455 67 K N 1.459 121.498 120.400 -0.601 0.000 2.063 67 K HA -0.128 4.194 4.320 0.003 0.000 0.208 67 K C 2.285 178.691 176.600 -0.324 0.000 1.048 67 K CA 1.538 57.459 56.287 -0.610 0.000 0.928 67 K CB -0.294 31.773 32.500 -0.722 0.000 0.713 67 K HN 0.440 nan 8.250 nan 0.000 0.442 68 Q N -0.072 119.580 119.800 -0.246 0.000 2.046 68 Q HA -0.086 4.256 4.340 0.003 0.000 0.200 68 Q C 2.197 178.089 176.000 -0.181 0.000 0.975 68 Q CA 1.703 57.408 55.803 -0.162 0.000 0.836 68 Q CB -0.224 28.453 28.738 -0.102 0.000 0.896 68 Q HN 0.273 nan 8.270 nan 0.000 0.428 69 L N 0.151 121.212 121.223 -0.269 0.000 2.042 69 L HA -0.213 4.129 4.340 0.003 0.000 0.210 69 L C 2.396 179.161 176.870 -0.176 0.000 1.076 69 L CA 0.861 55.548 54.840 -0.255 0.000 0.749 69 L CB -0.700 41.134 42.059 -0.375 0.000 0.893 69 L HN 0.103 nan 8.230 nan 0.000 0.432 70 V N -0.167 119.627 119.914 -0.199 0.000 2.295 70 V HA -0.293 3.828 4.120 0.003 0.000 0.246 70 V C 2.217 178.287 176.094 -0.041 0.000 1.049 70 V CA 1.983 64.212 62.300 -0.118 0.000 1.024 70 V CB -0.592 31.136 31.823 -0.159 0.000 0.648 70 V HN 0.455 nan 8.190 nan 0.000 0.447 71 D N -0.183 120.169 120.400 -0.079 0.000 2.116 71 D HA -0.230 4.412 4.640 0.003 0.000 0.193 71 D C 2.157 178.437 176.300 -0.034 0.000 0.998 71 D CA 1.867 55.834 54.000 -0.055 0.000 0.836 71 D CB -0.153 40.610 40.800 -0.061 0.000 0.951 71 D HN 0.548 nan 8.370 nan 0.000 0.449 72 E N 0.252 120.434 120.200 -0.030 0.000 2.031 72 E HA -0.174 4.178 4.350 0.003 0.000 0.193 72 E C 1.924 178.525 176.600 0.002 0.000 0.994 72 E CA 0.616 57.004 56.400 -0.020 0.000 0.800 72 E CB -0.578 29.109 29.700 -0.021 0.000 0.752 72 E HN 0.168 nan 8.360 nan 0.000 0.447 73 F N 1.471 121.334 119.950 -0.145 0.000 2.236 73 F HA -0.198 4.331 4.527 0.003 0.000 0.302 73 F C 2.028 177.752 175.800 -0.128 0.000 1.073 73 F CA 2.137 60.041 58.000 -0.159 0.000 1.336 73 F CB -0.065 38.798 39.000 -0.228 0.000 1.040 73 F HN 0.286 nan 8.300 nan 0.000 0.507 74 Q N -1.213 118.540 119.800 -0.079 0.000 2.217 74 Q HA 0.137 4.479 4.340 0.003 0.000 0.217 74 Q C 0.835 176.767 176.000 -0.113 0.000 0.844 74 Q CA 0.139 55.861 55.803 -0.135 0.000 0.957 74 Q CB -0.347 28.358 28.738 -0.055 0.000 1.127 74 Q HN 0.189 nan 8.270 nan 0.000 0.503 75 T N 1.108 115.604 114.554 -0.096 0.000 2.903 75 T HA 0.063 4.415 4.350 0.003 0.000 0.314 75 T C 0.046 174.694 174.700 -0.087 0.000 1.078 75 T CA 0.048 62.102 62.100 -0.076 0.000 1.114 75 T CB 0.743 69.574 68.868 -0.061 0.000 0.987 75 T HN 0.332 nan 8.240 nan 0.000 0.548 76 S N 2.401 118.061 115.700 -0.067 0.000 2.546 76 S HA 0.379 4.851 4.470 0.003 0.000 0.290 76 S C 1.437 175.998 174.600 -0.066 0.000 1.290 76 S CA 0.592 58.754 58.200 -0.064 0.000 1.069 76 S CB 0.144 63.316 63.200 -0.048 0.000 0.846 76 S HN 1.367 nan 8.310 nan 0.000 0.495 77 G N 2.493 111.250 108.800 -0.072 0.000 2.160 77 G HA2 -0.177 3.785 3.960 0.003 0.000 0.251 77 G HA3 -0.177 3.785 3.960 0.003 0.000 0.251 77 G C 0.355 175.206 174.900 -0.082 0.000 1.008 77 G CA 0.026 45.085 45.100 -0.068 0.000 0.724 77 G HN 1.067 nan 8.290 nan 0.000 0.514 78 G N -1.772 106.959 108.800 -0.114 0.000 2.568 78 G HA2 0.624 4.585 3.960 0.003 0.000 0.293 78 G HA3 0.624 4.585 3.960 0.003 0.000 0.293 78 G C 1.174 175.959 174.900 -0.192 0.000 1.347 78 G CA 0.292 45.308 45.100 -0.139 0.000 1.039 78 G HN 0.629 nan 8.290 nan 0.000 0.523 79 V N 0.974 120.751 119.914 -0.228 0.000 2.237 79 V HA -0.101 4.021 4.120 0.003 0.000 0.245 79 V C 3.171 178.965 176.094 -0.500 0.000 1.046 79 V CA 2.608 64.748 62.300 -0.266 0.000 1.007 79 V CB -1.253 30.474 31.823 -0.161 0.000 0.638 79 V HN 0.829 nan 8.190 nan 0.000 0.445 80 G N -0.758 107.404 108.800 -1.063 0.000 2.469 80 G HA2 -0.351 3.611 3.960 0.003 0.000 0.219 80 G HA3 -0.351 3.611 3.960 0.003 0.000 0.219 80 G C 1.537 176.122 174.900 -0.526 0.000 1.150 80 G CA 1.163 45.471 45.100 -1.321 0.000 0.763 80 G HN 0.612 nan 8.290 nan 0.000 0.561 81 E N 0.117 120.096 120.200 -0.367 0.000 2.085 81 E HA -0.147 4.205 4.350 0.003 0.000 0.194 81 E C 2.647 179.156 176.600 -0.151 0.000 0.994 81 E CA 0.804 57.083 56.400 -0.202 0.000 0.801 81 E CB -0.108 29.499 29.700 -0.155 0.000 0.743 81 E HN 0.405 nan 8.360 nan 0.000 0.453 82 R N -0.047 120.360 120.500 -0.154 0.000 2.075 82 R HA -0.086 4.256 4.340 0.003 0.000 0.232 82 R C 2.600 178.858 176.300 -0.071 0.000 1.126 82 R CA 1.238 57.281 56.100 -0.096 0.000 0.963 82 R CB -0.257 29.994 30.300 -0.081 0.000 0.858 82 R HN 0.280 nan 8.270 nan 0.000 0.435 83 L N 0.397 121.566 121.223 -0.089 0.000 2.083 83 L HA -0.205 4.137 4.340 0.003 0.000 0.209 83 L C 2.673 179.537 176.870 -0.010 0.000 1.083 83 L CA 1.146 55.974 54.840 -0.019 0.000 0.752 83 L CB -0.414 41.657 42.059 0.019 0.000 0.899 83 L HN 0.157 nan 8.230 nan 0.000 0.433 84 Q N 0.534 120.308 119.800 -0.044 0.000 2.084 84 Q HA -0.205 4.137 4.340 0.003 0.000 0.202 84 Q C 2.133 178.103 176.000 -0.051 0.000 0.978 84 Q CA 1.610 57.401 55.803 -0.021 0.000 0.844 84 Q CB 0.034 28.756 28.738 -0.025 0.000 0.898 84 Q HN 0.145 nan 8.270 nan 0.000 0.426 85 K N -0.317 120.051 120.400 -0.054 0.000 2.097 85 K HA -0.037 4.285 4.320 0.003 0.000 0.206 85 K C 2.049 178.622 176.600 -0.045 0.000 1.049 85 K CA 1.258 57.514 56.287 -0.052 0.000 0.933 85 K CB -1.008 31.464 32.500 -0.045 0.000 0.717 85 K HN 0.423 nan 8.250 nan 0.000 0.442 86 G N 1.604 110.389 108.800 -0.024 0.000 2.446 86 G HA2 -0.218 3.744 3.960 0.003 0.000 0.217 86 G HA3 -0.218 3.744 3.960 0.003 0.000 0.217 86 G C 1.702 176.590 174.900 -0.019 0.000 1.168 86 G CA 0.550 45.651 45.100 0.002 0.000 0.771 86 G HN 0.171 nan 8.290 nan 0.000 0.551 87 L N 0.096 121.286 121.223 -0.055 0.000 2.046 87 L HA -0.086 4.256 4.340 0.003 0.000 0.208 87 L C 2.916 179.636 176.870 -0.249 0.000 1.077 87 L CA 1.398 56.125 54.840 -0.189 0.000 0.747 87 L CB -0.460 41.404 42.059 -0.325 0.000 0.896 87 L HN 0.326 nan 8.230 nan 0.000 0.432 88 E N -0.263 119.827 120.200 -0.184 0.000 2.150 88 E HA -0.182 4.170 4.350 0.003 0.000 0.193 88 E C 2.324 178.869 176.600 -0.092 0.000 0.985 88 E CA 0.719 57.029 56.400 -0.150 0.000 0.814 88 E CB 0.010 29.644 29.700 -0.111 0.000 0.752 88 E HN 0.430 nan 8.360 nan 0.000 0.466 89 R N 0.499 120.958 120.500 -0.068 0.000 2.092 89 R HA -0.035 4.307 4.340 0.003 0.000 0.231 89 R C 2.415 178.691 176.300 -0.039 0.000 1.119 89 R CA 0.688 56.763 56.100 -0.041 0.000 0.970 89 R CB -0.196 30.088 30.300 -0.027 0.000 0.864 89 R HN 0.052 nan 8.270 nan 0.000 0.440 90 R N 0.762 121.231 120.500 -0.053 0.000 2.081 90 R HA -0.111 4.231 4.340 0.003 0.000 0.235 90 R C 2.134 178.433 176.300 -0.002 0.000 1.131 90 R CA 1.555 57.625 56.100 -0.049 0.000 0.960 90 R CB -0.219 30.032 30.300 -0.083 0.000 0.856 90 R HN 0.205 nan 8.270 nan 0.000 0.436 91 A N 0.841 123.662 122.820 0.002 0.000 2.019 91 A HA -0.157 4.165 4.320 0.003 0.000 0.219 91 A C 1.810 179.416 177.584 0.038 0.000 1.164 91 A CA 1.384 53.465 52.037 0.072 0.000 0.644 91 A CB -0.161 18.855 19.000 0.027 0.000 0.805 91 A HN 0.316 nan 8.150 nan 0.000 0.449 92 K N -0.213 120.188 120.400 0.003 0.000 2.243 92 K HA -0.053 4.269 4.320 0.003 0.000 0.201 92 K C 1.660 178.262 176.600 0.002 0.000 1.051 92 K CA 1.330 57.618 56.287 0.001 0.000 0.970 92 K CB 0.018 32.512 32.500 -0.010 0.000 0.755 92 K HN 0.695 nan 8.250 nan 0.000 0.465 93 K N -0.265 120.133 120.400 -0.003 0.000 2.367 93 K HA 0.190 4.512 4.320 0.003 0.000 0.194 93 K C 0.435 177.030 176.600 -0.007 0.000 1.027 93 K CA 0.237 56.520 56.287 -0.008 0.000 1.075 93 K CB 0.379 32.868 32.500 -0.018 0.000 0.845 93 K HN -0.050 nan 8.250 nan 0.000 0.529 94 M N 0.543 120.146 119.600 0.004 0.000 2.619 94 M HA 0.234 4.716 4.480 0.003 0.000 0.297 94 M C -0.094 176.228 176.300 0.037 0.000 1.229 94 M CA -0.622 54.681 55.300 0.005 0.000 0.860 94 M CB 2.524 35.109 32.600 -0.025 0.000 1.741 94 M HN -0.085 nan 8.290 nan 0.000 0.462 95 E N 0.802 121.031 120.200 0.048 0.000 2.150 95 E HA -0.052 4.300 4.350 0.003 0.000 0.193 95 E C 0.167 176.825 176.600 0.097 0.000 0.985 95 E CA 0.766 57.236 56.400 0.117 0.000 0.814 95 E CB 0.253 30.067 29.700 0.190 0.000 0.752 95 E HN 0.369 nan 8.360 nan 0.000 0.466 96 N N -0.307 118.395 118.700 0.003 0.000 2.519 96 N HA -0.022 4.719 4.740 0.003 0.000 0.291 96 N C -0.152 175.290 175.510 -0.113 0.000 1.107 96 N CA -0.497 52.503 53.050 -0.084 0.000 0.904 96 N CB 0.593 38.980 38.487 -0.166 0.000 1.500 96 N HN 0.171 nan 8.380 nan 0.000 0.510 97 W N 3.998 125.238 121.300 -0.101 0.000 2.465 97 W HA -0.046 4.616 4.660 0.003 0.000 0.268 97 W C 0.438 176.858 176.519 -0.166 0.000 1.242 97 W CA 0.255 57.501 57.345 -0.167 0.000 1.248 97 W CB -0.155 29.230 29.460 -0.125 0.000 1.118 97 W HN 0.428 nan 8.180 nan 0.000 0.587 98 L N 1.671 122.393 121.223 -0.834 0.000 2.357 98 L HA 0.112 4.454 4.340 0.003 0.000 0.211 98 L C 2.589 179.348 176.870 -0.186 0.000 1.075 98 L CA 1.537 55.960 54.840 -0.696 0.000 0.830 98 L CB -0.694 40.595 42.059 -1.283 0.000 0.996 98 L HN -0.191 nan 8.230 nan 0.000 0.467 99 S N 0.334 115.914 115.700 -0.201 0.000 2.435 99 S HA -0.407 4.065 4.470 0.003 0.000 0.250 99 S C 1.841 176.482 174.600 0.070 0.000 1.065 99 S CA 2.377 60.549 58.200 -0.046 0.000 1.243 99 S CB -0.593 62.554 63.200 -0.088 0.000 1.158 99 S HN 0.682 nan 8.310 nan 0.000 0.430 100 E N -0.572 119.637 120.200 0.015 0.000 2.077 100 E HA -0.188 4.164 4.350 0.003 0.000 0.193 100 E C 1.962 178.680 176.600 0.197 0.000 0.989 100 E CA 1.255 57.691 56.400 0.060 0.000 0.800 100 E CB -0.155 29.533 29.700 -0.020 0.000 0.746 100 E HN 0.590 nan 8.360 nan 0.000 0.452 101 W N 0.732 122.078 121.300 0.077 0.000 2.335 101 W HA -0.193 4.469 4.660 0.003 0.000 0.311 101 W C 2.229 178.807 176.519 0.099 0.000 1.213 101 W CA 0.614 58.013 57.345 0.091 0.000 1.274 101 W CB -1.394 28.150 29.460 0.140 0.000 1.148 101 W HN 0.389 nan 8.180 nan 0.000 0.498 102 W N 0.472 121.876 121.300 0.174 0.000 2.379 102 W HA -0.222 4.440 4.660 0.003 0.000 0.307 102 W C 2.124 178.662 176.519 0.033 0.000 1.200 102 W CA 1.253 58.624 57.345 0.044 0.000 1.297 102 W CB -0.699 28.757 29.460 -0.007 0.000 1.140 102 W HN -0.187 nan 8.180 nan 0.000 0.507 103 L N 2.079 123.365 121.223 0.105 0.000 2.042 103 L HA -0.210 4.132 4.340 0.003 0.000 0.210 103 L C 2.375 179.233 176.870 -0.020 0.000 1.076 103 L CA 2.201 57.081 54.840 0.067 0.000 0.749 103 L CB -0.888 41.251 42.059 0.132 0.000 0.893 103 L HN -0.162 nan 8.230 nan 0.000 0.432 104 K N -1.134 119.265 120.400 -0.001 0.000 2.007 104 K HA -0.099 4.223 4.320 0.003 0.000 0.206 104 K C 2.003 178.532 176.600 -0.118 0.000 1.047 104 K CA 1.838 58.117 56.287 -0.013 0.000 0.937 104 K CB -0.459 32.077 32.500 0.059 0.000 0.718 104 K HN 0.600 nan 8.250 nan 0.000 0.438 105 T N -0.800 113.644 114.554 -0.183 0.000 2.821 105 T HA -0.024 4.328 4.350 0.003 0.000 0.267 105 T C 2.081 176.463 174.700 -0.530 0.000 1.046 105 T CA 1.035 62.969 62.100 -0.277 0.000 1.139 105 T CB -0.154 68.577 68.868 -0.228 0.000 0.871 105 T HN 0.148 nan 8.240 nan 0.000 0.454 106 A N -0.251 122.013 122.820 -0.927 0.000 1.935 106 A HA 0.304 4.626 4.320 0.003 0.000 0.214 106 A C 1.725 178.527 177.584 -1.303 0.000 1.178 106 A CA 0.694 51.847 52.037 -1.472 0.000 0.640 106 A CB -0.379 17.078 19.000 -2.571 0.000 0.825 106 A HN 0.679 nan 8.150 nan 0.000 0.447 107 Y N -1.776 118.319 120.300 -0.342 0.000 2.921 107 Y HA 0.288 4.840 4.550 0.003 0.000 0.246 107 Y C 1.945 177.831 175.900 -0.023 0.000 1.030 107 Y CA -0.268 57.759 58.100 -0.122 0.000 1.338 107 Y CB -0.086 38.302 38.460 -0.120 0.000 1.493 107 Y HN -0.016 nan 8.280 nan 0.000 0.452 108 L N 0.587 121.877 121.223 0.112 0.000 2.127 108 L HA -0.230 4.112 4.340 0.003 0.000 0.211 108 L C 1.447 178.337 176.870 0.033 0.000 1.089 108 L CA 1.710 56.589 54.840 0.065 0.000 0.757 108 L CB -0.476 41.612 42.059 0.048 0.000 0.899 108 L HN 0.424 nan 8.230 nan 0.000 0.434 109 Q N -1.104 118.706 119.800 0.016 0.000 2.319 109 Q HA 0.062 4.404 4.340 0.003 0.000 0.202 109 Q C -0.060 175.977 176.000 0.061 0.000 0.896 109 Q CA -0.283 55.528 55.803 0.013 0.000 0.942 109 Q CB 0.447 29.178 28.738 -0.011 0.000 1.083 109 Q HN 0.184 nan 8.270 nan 0.000 0.510 110 F N 1.999 121.871 119.950 -0.129 0.000 2.438 110 F HA 0.158 4.687 4.527 0.004 0.000 0.360 110 F C 0.692 176.409 175.800 -0.138 0.000 1.118 110 F CA -0.672 57.241 58.000 -0.144 0.000 1.164 110 F CB 0.540 39.437 39.000 -0.170 0.000 1.131 110 F HN -0.165 nan 8.300 nan 0.000 0.527 111 R N 2.488 122.784 120.500 -0.340 0.000 2.276 111 R HA 0.069 4.411 4.340 0.003 0.000 0.196 111 R C 0.587 176.290 176.300 -0.996 0.000 0.961 111 R CA 0.198 55.976 56.100 -0.538 0.000 1.024 111 R CB -0.392 29.746 30.300 -0.270 0.000 0.940 111 R HN 0.602 nan 8.270 nan 0.000 0.480 112 Q N 1.212 120.321 119.800 -1.153 0.000 2.454 112 Q HA 0.173 4.515 4.340 0.003 0.000 0.247 112 Q C -2.121 173.487 176.000 -0.653 0.000 1.028 112 Q CA -1.844 53.396 55.803 -0.937 0.000 0.910 112 Q CB -0.257 27.827 28.738 -1.091 0.000 1.276 112 Q HN -0.033 nan 8.270 nan 0.000 0.489 113 P HA -0.100 nan 4.420 nan 0.000 0.266 113 P C 0.873 178.151 177.300 -0.037 0.000 1.193 113 P CA 0.211 63.250 63.100 -0.102 0.000 0.770 113 P CB 0.426 32.148 31.700 0.036 0.000 0.836 114 V N 1.192 121.060 119.914 -0.078 0.000 2.667 114 V HA -0.060 4.062 4.120 0.003 0.000 0.252 114 V C 0.832 176.885 176.094 -0.068 0.000 1.065 114 V CA 0.903 63.198 62.300 -0.009 0.000 1.083 114 V CB -0.877 30.957 31.823 0.019 0.000 0.692 114 V HN 0.148 nan 8.190 nan 0.000 0.468 115 V N 2.013 121.778 119.914 -0.248 0.000 2.599 115 V HA 0.181 4.303 4.120 0.003 0.000 0.300 115 V C 1.448 177.321 176.094 -0.367 0.000 1.034 115 V CA 0.984 63.036 62.300 -0.413 0.000 1.115 115 V CB 0.138 31.531 31.823 -0.717 0.000 0.934 115 V HN 0.617 nan 8.190 nan 0.000 0.485 116 I N 1.372 121.787 120.570 -0.258 0.000 4.270 116 I HA -0.444 3.728 4.170 0.003 0.000 0.084 116 I C 1.455 177.457 176.117 -0.191 0.000 0.554 116 I CA 2.070 63.209 61.300 -0.268 0.000 1.128 116 I CB -1.207 36.486 38.000 -0.511 0.000 1.004 116 I HN 0.675 nan 8.210 nan 0.000 0.177 117 Y N -0.209 120.178 120.300 0.146 0.000 2.516 117 Y HA -0.034 4.518 4.550 0.003 0.000 0.291 117 Y C 2.369 178.438 175.900 0.282 0.000 1.131 117 Y CA 1.169 59.411 58.100 0.238 0.000 1.281 117 Y CB 0.066 38.646 38.460 0.200 0.000 1.013 117 Y HN 0.379 nan 8.280 nan 0.000 0.554 118 S N -1.825 114.049 115.700 0.290 0.000 3.448 118 S HA 0.110 4.582 4.470 0.003 0.000 0.254 118 S C 0.492 175.181 174.600 0.148 0.000 1.102 118 S CA -0.246 58.122 58.200 0.280 0.000 0.797 118 S CB -0.479 62.936 63.200 0.359 0.000 0.891 118 S HN 0.042 nan 8.310 nan 0.000 0.474 119 S N 4.337 120.054 115.700 0.029 0.000 2.443 119 S HA 0.403 4.875 4.470 0.003 0.000 0.284 119 S C -2.661 171.814 174.600 -0.209 0.000 1.206 119 S CA -0.589 57.522 58.200 -0.147 0.000 1.074 119 S CB 0.901 64.069 63.200 -0.053 0.000 0.963 119 S HN 0.402 nan 8.310 nan 0.000 0.501 120 P HA 0.283 nan 4.420 nan 0.000 0.271 120 P C 0.193 177.280 177.300 -0.355 0.000 1.218 120 P CA -0.188 62.718 63.100 -0.325 0.000 0.780 120 P CB 0.579 32.040 31.700 -0.397 0.000 0.901 121 G N 0.687 109.209 108.800 -0.464 0.000 2.441 121 G HA2 0.599 4.561 3.960 0.003 0.000 0.334 121 G HA3 0.599 4.561 3.960 0.003 0.000 0.334 121 G C -1.396 172.836 174.900 -1.114 0.000 1.161 121 G CA -0.561 44.173 45.100 -0.611 0.000 0.935 121 G HN 0.361 nan 8.290 nan 0.000 0.488 122 V N 1.338 120.925 119.914 -0.545 0.000 2.686 122 V HA 0.415 4.537 4.120 0.003 0.000 0.306 122 V C -0.500 175.632 176.094 0.063 0.000 1.065 122 V CA -0.560 61.557 62.300 -0.306 0.000 0.894 122 V CB 1.915 33.663 31.823 -0.126 0.000 1.004 122 V HN 0.663 nan 8.190 nan 0.000 0.424 123 I N 5.200 125.904 120.570 0.223 0.000 2.330 123 I HA 0.435 4.607 4.170 0.003 0.000 0.289 123 I C -0.367 175.848 176.117 0.162 0.000 1.001 123 I CA -0.273 61.175 61.300 0.246 0.000 1.193 123 I CB 1.389 39.559 38.000 0.284 0.000 1.345 123 I HN 0.393 nan 8.210 nan 0.000 0.461 124 L N 7.395 128.707 121.223 0.149 0.000 2.400 124 L HA 0.507 4.848 4.340 0.003 0.000 0.264 124 L C -2.217 174.718 176.870 0.110 0.000 1.061 124 L CA -1.982 52.941 54.840 0.138 0.000 0.799 124 L CB 0.606 42.774 42.059 0.182 0.000 1.240 124 L HN 0.263 nan 8.230 nan 0.000 0.461 125 P HA 0.001 nan 4.420 nan 0.000 0.264 125 P C -0.879 176.422 177.300 0.002 0.000 1.193 125 P CA -0.048 63.083 63.100 0.050 0.000 0.763 125 P CB 0.386 32.115 31.700 0.048 0.000 0.810 126 K N 3.483 123.871 120.400 -0.019 0.000 2.448 126 K HA 0.007 4.329 4.320 0.003 0.000 0.278 126 K C 0.254 176.742 176.600 -0.187 0.000 1.009 126 K CA -0.109 56.128 56.287 -0.084 0.000 0.995 126 K CB 0.322 32.793 32.500 -0.049 0.000 0.917 126 K HN 0.385 nan 8.250 nan 0.000 0.481 127 Q N 2.023 121.618 119.800 -0.341 0.000 2.212 127 Q HA 0.048 4.390 4.340 0.003 0.000 0.238 127 Q C 0.119 175.843 176.000 -0.459 0.000 0.955 127 Q CA -0.189 55.355 55.803 -0.431 0.000 0.906 127 Q CB 1.310 29.666 28.738 -0.636 0.000 1.215 127 Q HN 0.784 nan 8.270 nan 0.000 0.478 128 D N -1.221 119.001 120.400 -0.296 0.000 2.339 128 D HA 0.006 4.648 4.640 0.003 0.000 0.217 128 D C 0.280 176.468 176.300 -0.187 0.000 1.050 128 D CA -0.223 53.640 54.000 -0.229 0.000 0.856 128 D CB -0.493 40.240 40.800 -0.111 0.000 0.922 128 D HN 0.339 nan 8.370 nan 0.000 0.518 129 F N 0.430 120.330 119.950 -0.083 0.000 2.563 129 F HA 0.260 4.789 4.527 0.003 0.000 0.363 129 F C 1.191 176.971 175.800 -0.033 0.000 1.123 129 F CA -1.077 56.896 58.000 -0.045 0.000 1.307 129 F CB 0.527 39.516 39.000 -0.019 0.000 1.115 129 F HN -0.139 nan 8.300 nan 0.000 0.592 130 V N -1.599 118.430 119.914 0.193 0.000 3.455 130 V HA 0.227 4.349 4.120 0.003 0.000 0.250 130 V C -0.172 176.011 176.094 0.149 0.000 1.230 130 V CA 0.478 62.843 62.300 0.108 0.000 1.105 130 V CB -0.536 31.307 31.823 0.033 0.000 0.850 130 V HN 0.828 nan 8.190 nan 0.000 0.461 131 D N -0.739 119.748 120.400 0.145 0.000 2.414 131 D HA 0.401 5.043 4.640 0.003 0.000 0.241 131 D C 1.041 177.343 176.300 0.004 0.000 1.008 131 D CA -0.885 53.153 54.000 0.063 0.000 1.001 131 D CB 0.908 41.717 40.800 0.016 0.000 1.277 131 D HN -0.162 nan 8.370 nan 0.000 0.538 132 L N -0.291 120.863 121.223 -0.116 0.000 2.129 132 L HA -0.174 4.168 4.340 0.003 0.000 0.212 132 L C 2.199 178.890 176.870 -0.299 0.000 1.087 132 L CA 1.649 56.286 54.840 -0.337 0.000 0.757 132 L CB -1.292 40.426 42.059 -0.570 0.000 0.896 132 L HN 0.688 nan 8.230 nan 0.000 0.434 133 Q N -0.269 119.450 119.800 -0.134 0.000 2.084 133 Q HA -0.154 4.188 4.340 0.003 0.000 0.202 133 Q C 2.117 178.124 176.000 0.013 0.000 0.978 133 Q CA 1.697 57.514 55.803 0.024 0.000 0.844 133 Q CB -0.056 28.705 28.738 0.039 0.000 0.898 133 Q HN 0.540 nan 8.270 nan 0.000 0.426 134 G N 0.400 109.176 108.800 -0.041 0.000 2.403 134 G HA2 -0.299 3.663 3.960 0.003 0.000 0.216 134 G HA3 -0.299 3.663 3.960 0.003 0.000 0.216 134 G C 1.211 175.953 174.900 -0.264 0.000 1.154 134 G CA 0.686 45.772 45.100 -0.022 0.000 0.784 134 G HN 0.414 nan 8.290 nan 0.000 0.538 135 Q N -0.112 119.307 119.800 -0.635 0.000 2.030 135 Q HA -0.060 4.282 4.340 0.003 0.000 0.204 135 Q C 2.509 178.231 176.000 -0.463 0.000 0.986 135 Q CA 1.210 56.272 55.803 -1.235 0.000 0.843 135 Q CB -0.245 27.999 28.738 -0.822 0.000 0.904 135 Q HN 0.491 nan 8.270 nan 0.000 0.420 136 L N -0.047 121.043 121.223 -0.221 0.000 2.141 136 L HA -0.124 4.218 4.340 0.003 0.000 0.209 136 L C 2.720 179.698 176.870 0.180 0.000 1.094 136 L CA 1.070 55.897 54.840 -0.022 0.000 0.763 136 L CB -0.391 41.624 42.059 -0.073 0.000 0.908 136 L HN 0.212 nan 8.230 nan 0.000 0.437 137 R N 0.284 120.877 120.500 0.155 0.000 2.081 137 R HA -0.229 4.113 4.340 0.003 0.000 0.235 137 R C 2.272 178.609 176.300 0.062 0.000 1.131 137 R CA 1.694 57.804 56.100 0.018 0.000 0.960 137 R CB -0.461 29.756 30.300 -0.138 0.000 0.856 137 R HN 0.235 nan 8.270 nan 0.000 0.436 138 F N 0.647 120.556 119.950 -0.069 0.000 2.146 138 F HA 0.049 4.578 4.527 0.003 0.000 0.298 138 F C 1.969 177.772 175.800 0.004 0.000 1.096 138 F CA 1.242 59.238 58.000 -0.006 0.000 1.275 138 F CB -0.736 38.290 39.000 0.043 0.000 1.008 138 F HN 0.112 nan 8.300 nan 0.000 0.480 139 A N 0.715 123.428 122.820 -0.178 0.000 1.908 139 A HA -0.108 4.214 4.320 0.003 0.000 0.218 139 A C 2.456 179.926 177.584 -0.190 0.000 1.181 139 A CA 2.066 53.971 52.037 -0.220 0.000 0.627 139 A CB -1.636 17.333 19.000 -0.052 0.000 0.818 139 A HN 0.528 nan 8.150 nan 0.000 0.445 140 A N -0.850 121.926 122.820 -0.073 0.000 1.933 140 A HA -0.149 4.173 4.320 0.003 0.000 0.218 140 A C 2.162 179.700 177.584 -0.077 0.000 1.175 140 A CA 1.892 53.911 52.037 -0.029 0.000 0.628 140 A CB -0.371 18.684 19.000 0.091 0.000 0.814 140 A HN 0.327 nan 8.150 nan 0.000 0.444 141 K N -0.372 119.965 120.400 -0.104 0.000 2.057 141 K HA -0.057 4.265 4.320 0.003 0.000 0.206 141 K C 1.966 178.464 176.600 -0.170 0.000 1.050 141 K CA 1.383 57.633 56.287 -0.061 0.000 0.935 141 K CB -0.623 31.867 32.500 -0.016 0.000 0.715 141 K HN 0.562 nan 8.250 nan 0.000 0.439 142 L N 0.756 121.740 121.223 -0.399 0.000 2.017 142 L HA -0.157 4.185 4.340 0.003 0.000 0.208 142 L C 2.242 178.869 176.870 -0.405 0.000 1.073 142 L CA 1.205 55.756 54.840 -0.483 0.000 0.745 142 L CB -0.191 41.459 42.059 -0.681 0.000 0.894 142 L HN 0.088 nan 8.230 nan 0.000 0.432 143 I N -0.082 120.337 120.570 -0.252 0.000 2.163 143 I HA -0.336 3.835 4.170 0.003 0.000 0.243 143 I C 2.550 178.585 176.117 -0.136 0.000 1.085 143 I CA 1.830 63.089 61.300 -0.068 0.000 1.347 143 I CB -0.413 37.592 38.000 0.008 0.000 1.044 143 I HN 0.430 nan 8.210 nan 0.000 0.408 144 E N 1.088 121.180 120.200 -0.181 0.000 2.077 144 E HA -0.192 4.160 4.350 0.003 0.000 0.193 144 E C 2.276 178.559 176.600 -0.529 0.000 0.989 144 E CA 1.337 57.595 56.400 -0.237 0.000 0.800 144 E CB -0.217 29.429 29.700 -0.091 0.000 0.746 144 E HN 0.504 nan 8.360 nan 0.000 0.452 145 G N 0.402 108.811 108.800 -0.652 0.000 2.418 145 G HA2 -0.234 3.728 3.960 0.003 0.000 0.217 145 G HA3 -0.234 3.728 3.960 0.003 0.000 0.217 145 G C 1.633 176.299 174.900 -0.390 0.000 1.158 145 G CA 0.981 45.572 45.100 -0.847 0.000 0.771 145 G HN 0.238 nan 8.290 nan 0.000 0.545 146 V N 1.016 120.703 119.914 -0.378 0.000 2.358 146 V HA -0.092 4.030 4.120 0.003 0.000 0.246 146 V C 2.874 178.903 176.094 -0.107 0.000 1.047 146 V CA 1.308 63.407 62.300 -0.336 0.000 1.035 146 V CB -0.434 30.898 31.823 -0.818 0.000 0.658 146 V HN 0.340 nan 8.190 nan 0.000 0.452 147 L N 0.134 121.303 121.223 -0.089 0.000 2.191 147 L HA -0.189 4.153 4.340 0.003 0.000 0.212 147 L C 2.267 179.130 176.870 -0.011 0.000 1.103 147 L CA 1.793 56.628 54.840 -0.008 0.000 0.769 147 L CB -0.591 41.405 42.059 -0.105 0.000 0.908 147 L HN 0.407 nan 8.230 nan 0.000 0.438 148 D N -0.098 120.250 120.400 -0.086 0.000 2.123 148 D HA -0.229 4.413 4.640 0.003 0.000 0.200 148 D C 2.021 178.326 176.300 0.008 0.000 0.976 148 D CA 0.923 54.919 54.000 -0.007 0.000 0.831 148 D CB 0.004 40.774 40.800 -0.050 0.000 0.974 148 D HN 0.212 nan 8.370 nan 0.000 0.469 149 F N 1.198 121.026 119.950 -0.202 0.000 2.186 149 F HA -0.041 4.488 4.527 0.003 0.000 0.299 149 F C 2.154 177.802 175.800 -0.253 0.000 1.090 149 F CA 1.287 59.013 58.000 -0.456 0.000 1.307 149 F CB -0.079 38.664 39.000 -0.428 0.000 1.019 149 F HN -0.165 nan 8.300 nan 0.000 0.489 150 K N -0.007 120.395 120.400 0.002 0.000 2.147 150 K HA -0.159 4.163 4.320 0.003 0.000 0.205 150 K C 2.074 178.616 176.600 -0.097 0.000 1.049 150 K CA 1.563 57.837 56.287 -0.022 0.000 0.936 150 K CB -0.208 32.358 32.500 0.110 0.000 0.722 150 K HN 0.259 nan 8.250 nan 0.000 0.446 151 S N 1.207 116.864 115.700 -0.072 0.000 2.365 151 S HA -0.198 4.274 4.470 0.003 0.000 0.225 151 S C 1.851 176.373 174.600 -0.130 0.000 1.039 151 S CA 1.927 60.095 58.200 -0.054 0.000 1.033 151 S CB -0.234 62.956 63.200 -0.016 0.000 0.887 151 S HN 0.364 nan 8.310 nan 0.000 0.447 152 M N 0.414 119.858 119.600 -0.260 0.000 2.229 152 M HA -0.026 4.456 4.480 0.003 0.000 0.264 152 M C 1.946 178.073 176.300 -0.289 0.000 1.063 152 M CA 1.229 56.347 55.300 -0.304 0.000 1.114 152 M CB -0.592 31.713 32.600 -0.492 0.000 1.387 152 M HN 0.270 nan 8.290 nan 0.000 0.420 153 I N 0.255 120.602 120.570 -0.371 0.000 2.163 153 I HA -0.287 3.885 4.170 0.003 0.000 0.240 153 I C 1.888 177.949 176.117 -0.093 0.000 1.081 153 I CA 1.219 62.292 61.300 -0.379 0.000 1.353 153 I CB -0.581 37.133 38.000 -0.476 0.000 1.054 153 I HN 0.260 nan 8.210 nan 0.000 0.407 154 D N 0.921 121.287 120.400 -0.058 0.000 2.178 154 D HA -0.137 4.505 4.640 0.003 0.000 0.201 154 D C 1.387 177.704 176.300 0.029 0.000 0.980 154 D CA 1.090 55.104 54.000 0.024 0.000 0.842 154 D CB -0.386 40.411 40.800 -0.004 0.000 0.948 154 D HN 0.389 nan 8.370 nan 0.000 0.472 155 N N 0.774 119.471 118.700 -0.005 0.000 2.280 155 N HA -0.021 4.721 4.740 0.003 0.000 0.192 155 N C -0.150 175.367 175.510 0.012 0.000 1.109 155 N CA 0.065 53.111 53.050 -0.005 0.000 0.855 155 N CB 0.501 38.976 38.487 -0.019 0.000 0.974 155 N HN 0.271 nan 8.380 nan 0.000 0.482 156 E N -0.646 119.590 120.200 0.059 0.000 2.539 156 E HA -0.197 4.155 4.350 0.003 0.000 0.253 156 E C 0.002 176.655 176.600 0.089 0.000 1.145 156 E CA 0.996 57.467 56.400 0.118 0.000 0.738 156 E CB -1.700 28.009 29.700 0.015 0.000 1.308 156 E HN 0.503 nan 8.360 nan 0.000 0.409 157 T N -2.465 112.082 114.554 -0.010 0.000 3.105 157 T HA 0.250 4.602 4.350 0.003 0.000 0.253 157 T C 0.508 175.136 174.700 -0.120 0.000 1.047 157 T CA -0.543 61.533 62.100 -0.041 0.000 0.944 157 T CB 0.223 69.060 68.868 -0.051 0.000 1.016 157 T HN 0.069 nan 8.240 nan 0.000 0.544 158 L N 3.692 124.805 121.223 -0.183 0.000 2.534 158 L HA 0.330 4.672 4.340 0.003 0.000 0.271 158 L C -2.109 174.618 176.870 -0.238 0.000 1.178 158 L CA -1.856 52.796 54.840 -0.313 0.000 0.907 158 L CB -0.085 41.702 42.059 -0.453 0.000 1.164 158 L HN 0.050 nan 8.230 nan 0.000 0.482 159 P HA -0.006 nan 4.420 nan 0.000 0.267 159 P C -0.897 176.291 177.300 -0.188 0.000 1.201 159 P CA -0.217 62.799 63.100 -0.141 0.000 0.775 159 P CB 0.350 32.005 31.700 -0.075 0.000 0.854 160 V N 2.891 122.695 119.914 -0.183 0.000 2.583 160 V HA 0.102 4.223 4.120 0.003 0.000 0.287 160 V C 0.682 176.598 176.094 -0.296 0.000 1.051 160 V CA 0.158 62.262 62.300 -0.327 0.000 1.010 160 V CB 0.455 32.065 31.823 -0.354 0.000 0.988 160 V HN 0.536 nan 8.190 nan 0.000 0.478 161 E N 3.400 123.369 120.200 -0.384 0.000 2.222 161 E HA 0.701 5.053 4.350 0.003 0.000 0.267 161 E C -1.528 174.732 176.600 -0.567 0.000 0.963 161 E CA -0.476 55.781 56.400 -0.239 0.000 0.837 161 E CB 2.080 31.758 29.700 -0.037 0.000 1.183 161 E HN 0.483 nan 8.360 nan 0.000 0.403 162 F N 0.381 120.351 119.950 0.033 0.000 2.613 162 F HA 0.310 4.839 4.527 0.003 0.000 0.314 162 F C 0.238 176.047 175.800 0.016 0.000 1.075 162 F CA -0.909 57.104 58.000 0.023 0.000 0.945 162 F CB 1.315 40.323 39.000 0.014 0.000 1.310 162 F HN 0.259 nan 8.300 nan 0.000 0.467 163 L N 1.427 122.761 121.223 0.185 0.000 3.184 163 L HA 0.473 4.815 4.340 0.003 0.000 0.283 163 L C 0.134 177.056 176.870 0.087 0.000 1.218 163 L CA 0.549 55.449 54.840 0.100 0.000 1.028 163 L CB 0.307 42.392 42.059 0.043 0.000 1.400 163 L HN 0.926 nan 8.230 nan 0.000 0.591 164 G N -1.225 107.645 108.800 0.117 0.000 2.885 164 G HA2 0.243 4.205 3.960 0.003 0.000 0.233 164 G HA3 0.243 4.205 3.960 0.003 0.000 0.233 164 G C 0.729 175.667 174.900 0.063 0.000 2.964 164 G CA -0.032 45.108 45.100 0.066 0.000 0.824 164 G HN 0.440 nan 8.290 nan 0.000 0.441 165 G N -0.607 108.232 108.800 0.065 0.000 2.153 165 G HA2 -0.200 3.762 3.960 0.003 0.000 0.252 165 G HA3 -0.200 3.762 3.960 0.003 0.000 0.252 165 G C 0.119 175.117 174.900 0.163 0.000 0.994 165 G CA 0.894 46.007 45.100 0.021 0.000 0.698 165 G HN 0.955 nan 8.290 nan 0.000 0.521 166 Q N -0.271 119.699 119.800 0.283 0.000 2.292 166 Q HA 0.380 4.722 4.340 0.003 0.000 0.270 166 Q C -2.736 173.383 176.000 0.198 0.000 1.024 166 Q CA -1.830 54.094 55.803 0.202 0.000 0.768 166 Q CB 2.681 31.432 28.738 0.023 0.000 1.250 166 Q HN 0.144 nan 8.270 nan 0.000 0.447 167 P HA 0.089 nan 4.420 nan 0.000 0.267 167 P C -0.543 176.678 177.300 -0.133 0.000 1.200 167 P CA 0.248 63.212 63.100 -0.227 0.000 0.772 167 P CB 0.587 32.272 31.700 -0.025 0.000 0.855 168 L N 1.831 122.983 121.223 -0.118 0.000 2.330 168 L HA 0.442 4.784 4.340 0.003 0.000 0.271 168 L C 0.479 177.450 176.870 0.169 0.000 1.013 168 L CA -1.091 53.745 54.840 -0.008 0.000 0.816 168 L CB 1.704 43.747 42.059 -0.027 0.000 1.287 168 L HN 0.430 nan 8.230 nan 0.000 0.435 169 C N 3.478 122.850 119.300 0.120 0.000 2.642 169 C HA 0.122 4.584 4.460 0.003 0.000 0.420 169 C C 1.304 176.427 174.990 0.222 0.000 1.349 169 C CA -0.223 58.903 59.018 0.179 0.000 1.821 169 C CB -0.049 27.759 27.740 0.112 0.000 2.637 169 C HN 0.774 nan 8.230 nan 0.000 0.605 170 M N 4.963 124.741 119.600 0.296 0.000 2.346 170 M HA 0.101 4.583 4.480 0.003 0.000 0.280 170 M C 1.446 177.995 176.300 0.415 0.000 1.075 170 M CA 0.219 55.753 55.300 0.391 0.000 0.989 170 M CB -1.588 31.206 32.600 0.325 0.000 1.447 170 M HN 0.896 nan 8.290 nan 0.000 0.511 171 N N 1.535 120.388 118.700 0.256 0.000 2.149 171 N HA -0.189 4.553 4.740 0.003 0.000 0.188 171 N C 1.571 177.208 175.510 0.211 0.000 1.019 171 N CA 1.765 54.941 53.050 0.210 0.000 0.857 171 N CB 0.117 38.652 38.487 0.080 0.000 0.997 171 N HN 0.426 nan 8.380 nan 0.000 0.426 172 Q N -1.328 118.526 119.800 0.090 0.000 2.181 172 Q HA -0.192 4.150 4.340 0.003 0.000 0.205 172 Q C 1.327 177.297 176.000 -0.051 0.000 0.980 172 Q CA 1.441 57.222 55.803 -0.036 0.000 0.862 172 Q CB -0.233 28.397 28.738 -0.179 0.000 0.905 172 Q HN 0.604 nan 8.270 nan 0.000 0.429 173 Y N -1.579 118.786 120.300 0.107 0.000 2.421 173 Y HA -0.181 4.371 4.550 0.003 0.000 0.292 173 Y C 0.804 176.622 175.900 -0.136 0.000 1.136 173 Y CA 0.810 58.912 58.100 0.003 0.000 1.255 173 Y CB 0.078 38.517 38.460 -0.035 0.000 0.991 173 Y HN 0.163 nan 8.280 nan 0.000 0.552 174 Y N -0.566 119.833 120.300 0.165 0.000 2.683 174 Y HA 0.122 4.674 4.550 0.003 0.000 0.297 174 Y C 1.170 177.112 175.900 0.070 0.000 1.147 174 Y CA -0.314 57.852 58.100 0.109 0.000 1.274 174 Y CB 0.137 38.649 38.460 0.087 0.000 1.143 174 Y HN 0.109 nan 8.280 nan 0.000 0.527 175 Q N -0.726 119.153 119.800 0.133 0.000 2.210 175 Q HA 0.203 4.545 4.340 0.003 0.000 0.252 175 Q C 1.909 177.943 176.000 0.056 0.000 0.811 175 Q CA 0.391 56.244 55.803 0.083 0.000 0.953 175 Q CB 0.528 29.301 28.738 0.057 0.000 1.136 175 Q HN 0.681 nan 8.270 nan 0.000 0.491 176 I N -2.532 118.061 120.570 0.039 0.000 2.584 176 I HA 0.102 4.274 4.170 0.003 0.000 0.255 176 I C 0.675 176.845 176.117 0.089 0.000 1.145 176 I CA 0.439 61.756 61.300 0.029 0.000 1.462 176 I CB 0.034 38.011 38.000 -0.039 0.000 1.102 176 I HN -0.131 nan 8.210 nan 0.000 0.433 177 L N 1.489 122.779 121.223 0.112 0.000 2.360 177 L HA 0.345 4.687 4.340 0.003 0.000 0.271 177 L C 0.769 177.741 176.870 0.171 0.000 1.057 177 L CA -0.658 54.282 54.840 0.168 0.000 0.803 177 L CB 1.439 43.599 42.059 0.168 0.000 1.207 177 L HN 0.200 nan 8.230 nan 0.000 0.445 178 S N 0.220 116.038 115.700 0.197 0.000 3.581 178 S HA -0.168 4.304 4.470 0.003 0.000 0.354 178 S C 0.028 174.793 174.600 0.276 0.000 1.059 178 S CA 0.947 59.272 58.200 0.209 0.000 1.060 178 S CB -1.512 61.809 63.200 0.202 0.000 0.908 178 S HN 0.888 nan 8.310 nan 0.000 0.475 179 S N -1.456 114.378 115.700 0.222 0.000 2.667 179 S HA 0.900 5.371 4.470 0.003 0.000 0.292 179 S C -0.445 174.280 174.600 0.208 0.000 1.126 179 S CA -0.321 57.990 58.200 0.186 0.000 0.881 179 S CB 2.617 65.878 63.200 0.102 0.000 1.132 179 S HN 0.995 nan 8.310 nan 0.000 0.492 180 C N 0.569 119.981 119.300 0.185 0.000 3.302 180 C HA 0.685 5.147 4.460 0.003 0.000 0.347 180 C C -0.779 174.308 174.990 0.162 0.000 1.218 180 C CA -0.498 58.649 59.018 0.215 0.000 1.234 180 C CB 1.401 29.313 27.740 0.287 0.000 1.551 180 C HN 1.239 nan 8.230 nan 0.000 0.501 181 R N 2.362 122.962 120.500 0.166 0.000 2.459 181 R HA 0.797 5.139 4.340 0.003 0.000 0.281 181 R C -1.354 174.998 176.300 0.086 0.000 1.050 181 R CA -0.213 55.950 56.100 0.106 0.000 1.055 181 R CB 1.087 31.448 30.300 0.102 0.000 1.045 181 R HN 0.620 nan 8.270 nan 0.000 0.495 182 V N 5.676 125.586 119.914 -0.006 0.000 2.531 182 V HA 0.363 4.485 4.120 0.003 0.000 0.301 182 V C -2.296 173.653 176.094 -0.242 0.000 1.034 182 V CA -2.273 59.936 62.300 -0.152 0.000 0.865 182 V CB 1.773 33.546 31.823 -0.082 0.000 0.995 182 V HN 0.854 nan 8.190 nan 0.000 0.424 183 P HA 0.309 nan 4.420 nan 0.000 0.268 183 P C 0.027 177.156 177.300 -0.286 0.000 1.204 183 P CA 0.399 63.216 63.100 -0.472 0.000 0.768 183 P CB 0.665 31.748 31.700 -1.028 0.000 0.842 184 G N 3.325 112.033 108.800 -0.154 0.000 2.571 184 G HA2 0.437 4.399 3.960 0.003 0.000 0.304 184 G HA3 0.437 4.399 3.960 0.003 0.000 0.304 184 G C -2.109 172.761 174.900 -0.051 0.000 1.314 184 G CA -1.495 43.559 45.100 -0.077 0.000 0.975 184 G HN 0.169 nan 8.290 nan 0.000 0.485 185 P HA -0.141 nan 4.420 nan 0.000 0.218 185 P C 1.003 178.302 177.300 -0.001 0.000 1.148 185 P CA 1.297 64.392 63.100 -0.009 0.000 0.822 185 P CB 0.620 32.319 31.700 -0.001 0.000 0.784 186 K N -0.764 119.635 120.400 -0.003 0.000 2.325 186 K HA 0.062 4.384 4.320 0.003 0.000 0.203 186 K C 1.029 177.628 176.600 -0.002 0.000 1.128 186 K CA 0.100 56.389 56.287 0.003 0.000 0.931 186 K CB 0.606 33.110 32.500 0.006 0.000 1.125 186 K HN 0.154 nan 8.250 nan 0.000 0.487 187 Q N 0.406 120.203 119.800 -0.006 0.000 2.418 187 Q HA 0.324 4.666 4.340 0.003 0.000 0.282 187 Q C -1.637 174.354 176.000 -0.015 0.000 1.044 187 Q CA -1.071 54.728 55.803 -0.006 0.000 0.813 187 Q CB 1.923 30.665 28.738 0.007 0.000 1.428 187 Q HN -0.147 nan 8.270 nan 0.000 0.402 188 D N 1.037 121.428 120.400 -0.015 0.000 2.411 188 D HA 0.539 5.181 4.640 0.003 0.000 0.251 188 D C -0.392 175.904 176.300 -0.007 0.000 1.201 188 D CA 0.045 54.031 54.000 -0.024 0.000 0.996 188 D CB 1.411 42.202 40.800 -0.015 0.000 1.101 188 D HN 0.672 nan 8.370 nan 0.000 0.504 189 S N -1.414 114.278 115.700 -0.013 0.000 2.732 189 S HA 0.804 5.276 4.470 0.003 0.000 0.293 189 S C -1.064 173.538 174.600 0.003 0.000 1.159 189 S CA -0.791 57.408 58.200 -0.001 0.000 0.847 189 S CB 1.323 64.521 63.200 -0.004 0.000 1.169 189 S HN 0.156 nan 8.310 nan 0.000 0.501 190 V N 1.089 121.002 119.914 -0.001 0.000 2.789 190 V HA 0.713 4.834 4.120 0.003 0.000 0.311 190 V C -0.671 175.394 176.094 -0.049 0.000 1.073 190 V CA -0.646 61.652 62.300 -0.003 0.000 0.921 190 V CB 1.859 33.684 31.823 0.004 0.000 1.009 190 V HN 1.102 nan 8.190 nan 0.000 0.426 191 V N 1.361 121.231 119.914 -0.073 0.000 2.555 191 V HA 0.675 4.797 4.120 0.003 0.000 0.302 191 V C -0.505 175.365 176.094 -0.374 0.000 1.038 191 V CA -0.605 61.530 62.300 -0.275 0.000 0.887 191 V CB 1.627 33.295 31.823 -0.259 0.000 0.991 191 V HN 0.934 nan 8.190 nan 0.000 0.434 192 N N 2.363 120.738 118.700 -0.542 0.000 2.504 192 N HA 0.559 5.301 4.740 0.003 0.000 0.280 192 N C -0.724 174.511 175.510 -0.458 0.000 1.052 192 N CA -0.637 52.214 53.050 -0.331 0.000 0.887 192 N CB 1.393 39.805 38.487 -0.125 0.000 1.323 192 N HN 0.699 nan 8.380 nan 0.000 0.509 193 F N 2.584 122.572 119.950 0.062 0.000 2.678 193 F HA 0.188 4.717 4.527 0.003 0.000 0.305 193 F C 1.633 177.465 175.800 0.054 0.000 1.090 193 F CA -0.455 57.577 58.000 0.054 0.000 1.272 193 F CB 0.280 39.310 39.000 0.050 0.000 1.060 193 F HN 0.449 nan 8.300 nan 0.000 0.576 194 L N 1.100 122.431 121.223 0.180 0.000 2.013 194 L HA -0.185 4.157 4.340 0.003 0.000 0.212 194 L C 1.392 178.336 176.870 0.124 0.000 1.073 194 L CA 2.109 57.038 54.840 0.149 0.000 0.753 194 L CB -0.392 41.753 42.059 0.144 0.000 0.890 194 L HN 0.004 nan 8.230 nan 0.000 0.432 195 K N -0.396 120.068 120.400 0.107 0.000 2.681 195 K HA 0.194 4.516 4.320 0.003 0.000 0.211 195 K C 0.487 177.129 176.600 0.071 0.000 1.075 195 K CA 0.186 56.520 56.287 0.080 0.000 1.141 195 K CB 0.078 32.616 32.500 0.063 0.000 0.896 195 K HN 0.444 nan 8.250 nan 0.000 0.470 196 S N -0.144 115.618 115.700 0.105 0.000 2.634 196 S HA 0.186 4.658 4.470 0.003 0.000 0.261 196 S C 1.272 175.918 174.600 0.078 0.000 1.271 196 S CA -0.709 57.559 58.200 0.114 0.000 0.985 196 S CB 1.125 64.451 63.200 0.210 0.000 0.968 196 S HN -0.029 nan 8.310 nan 0.000 0.568 197 K N 1.174 121.616 120.400 0.068 0.000 2.044 197 K HA -0.145 4.177 4.320 0.003 0.000 0.210 197 K C 0.967 177.587 176.600 0.034 0.000 1.049 197 K CA 1.627 57.939 56.287 0.043 0.000 0.927 197 K CB -0.504 32.019 32.500 0.038 0.000 0.713 197 K HN 0.860 nan 8.250 nan 0.000 0.443 198 R N 1.119 121.644 120.500 0.041 0.000 2.477 198 R HA 0.374 4.716 4.340 0.003 0.000 0.285 198 R C -2.804 173.517 176.300 0.035 0.000 1.415 198 R CA -1.724 54.390 56.100 0.024 0.000 1.446 198 R CB 0.367 30.675 30.300 0.014 0.000 1.110 198 R HN -0.195 nan 8.270 nan 0.000 0.590 199 P HA 0.007 nan 4.420 nan 0.000 0.263 199 P C -2.304 175.015 177.300 0.032 0.000 1.175 199 P CA -0.457 62.672 63.100 0.048 0.000 0.761 199 P CB 0.143 31.853 31.700 0.017 0.000 0.794 200 P HA 0.020 nan 4.420 nan 0.000 0.266 200 P C 0.491 177.831 177.300 0.068 0.000 1.195 200 P CA 0.336 63.476 63.100 0.066 0.000 0.768 200 P CB 0.272 31.968 31.700 -0.007 0.000 0.838 201 T N -1.909 112.733 114.554 0.147 0.000 3.200 201 T HA 0.216 4.568 4.350 0.003 0.000 0.284 201 T C 0.120 174.996 174.700 0.293 0.000 1.009 201 T CA -0.357 61.890 62.100 0.246 0.000 0.907 201 T CB -0.901 68.077 68.868 0.183 0.000 1.120 201 T HN 0.608 nan 8.240 nan 0.000 0.534 202 H N 0.174 119.277 119.070 0.054 0.000 2.747 202 H HA 0.799 5.357 4.556 0.003 0.000 0.371 202 H C -0.357 174.904 175.328 -0.112 0.000 1.161 202 H CA -1.499 54.529 56.048 -0.034 0.000 1.167 202 H CB 1.448 31.182 29.762 -0.045 0.000 1.732 202 H HN 0.325 nan 8.280 nan 0.000 0.544 203 I N -0.441 119.963 120.570 -0.276 0.000 3.217 203 I HA 0.723 4.895 4.170 0.003 0.000 0.308 203 I C -0.790 175.234 176.117 -0.156 0.000 1.091 203 I CA -1.099 59.926 61.300 -0.458 0.000 1.013 203 I CB 2.524 40.044 38.000 -0.799 0.000 1.250 203 I HN 0.811 nan 8.210 nan 0.000 0.496 204 T N 0.309 114.792 114.554 -0.120 0.000 2.863 204 T HA 0.732 5.084 4.350 0.003 0.000 0.285 204 T C -0.606 174.161 174.700 0.111 0.000 1.009 204 T CA -0.677 61.472 62.100 0.083 0.000 0.989 204 T CB 1.703 70.661 68.868 0.150 0.000 1.004 204 T HN 0.485 nan 8.240 nan 0.000 0.455 205 V N 2.549 122.572 119.914 0.182 0.000 2.540 205 V HA 0.591 4.713 4.120 0.003 0.000 0.302 205 V C -0.409 175.803 176.094 0.197 0.000 1.035 205 V CA -0.859 61.535 62.300 0.155 0.000 0.873 205 V CB 1.833 33.704 31.823 0.080 0.000 0.992 205 V HN 0.916 nan 8.190 nan 0.000 0.428 206 V N 3.723 123.690 119.914 0.089 0.000 2.409 206 V HA 0.553 4.675 4.120 0.003 0.000 0.291 206 V C -0.749 175.356 176.094 0.020 0.000 1.020 206 V CA -0.563 61.681 62.300 -0.094 0.000 0.848 206 V CB 1.316 32.942 31.823 -0.329 0.000 0.990 206 V HN 0.976 nan 8.190 nan 0.000 0.430 207 H N 4.647 123.651 119.070 -0.110 0.000 2.840 207 H HA 0.439 4.997 4.556 0.004 0.000 0.340 207 H C 0.284 175.467 175.328 -0.242 0.000 1.004 207 H CA -0.693 55.226 56.048 -0.215 0.000 1.288 207 H CB 0.987 30.548 29.762 -0.335 0.000 1.607 207 H HN 0.633 nan 8.280 nan 0.000 0.522 208 N N 5.104 123.394 118.700 -0.684 0.000 2.727 208 N HA -0.260 4.482 4.740 0.003 0.000 0.249 208 N C -0.409 174.779 175.510 -0.536 0.000 1.048 208 N CA 1.597 54.157 53.050 -0.817 0.000 0.714 208 N CB -1.521 36.419 38.487 -0.912 0.000 0.959 208 N HN 0.987 nan 8.380 nan 0.000 0.544 209 Y N -4.027 116.149 120.300 -0.206 0.000 4.929 209 Y HA -0.373 4.179 4.550 0.002 0.000 0.253 209 Y C 0.493 176.287 175.900 -0.177 0.000 0.946 209 Y CA 0.595 58.594 58.100 -0.169 0.000 1.905 209 Y CB -1.478 36.944 38.460 -0.063 0.000 1.400 209 Y HN 0.352 nan 8.280 nan 0.000 0.531 210 Q N 0.882 120.659 119.800 -0.038 0.000 2.290 210 Q HA 0.501 4.843 4.340 0.003 0.000 0.259 210 Q C -0.816 175.161 176.000 -0.037 0.000 0.941 210 Q CA -0.634 55.186 55.803 0.028 0.000 0.912 210 Q CB 1.107 29.903 28.738 0.097 0.000 1.244 210 Q HN 0.105 nan 8.270 nan 0.000 0.441 211 F N 1.929 121.914 119.950 0.057 0.000 2.394 211 F HA 0.464 4.993 4.527 0.003 0.000 0.340 211 F C -0.275 175.409 175.800 -0.193 0.000 1.105 211 F CA -0.429 57.614 58.000 0.070 0.000 1.124 211 F CB 0.690 39.734 39.000 0.072 0.000 1.145 211 F HN 0.387 nan 8.300 nan 0.000 0.505 212 F N 0.639 120.691 119.950 0.171 0.000 2.556 212 F HA 0.295 4.824 4.527 0.003 0.000 0.314 212 F C -0.108 175.729 175.800 0.062 0.000 1.106 212 F CA -1.178 56.868 58.000 0.077 0.000 0.911 212 F CB 1.806 40.830 39.000 0.039 0.000 1.190 212 F HN 0.390 nan 8.300 nan 0.000 0.448 213 E N 3.506 123.805 120.200 0.164 0.000 2.130 213 E HA 0.455 4.807 4.350 0.003 0.000 0.284 213 E C -1.724 174.934 176.600 0.098 0.000 1.018 213 E CA -0.653 55.804 56.400 0.096 0.000 0.817 213 E CB 1.023 30.667 29.700 -0.093 0.000 1.078 213 E HN 0.578 nan 8.360 nan 0.000 0.396 214 L N 5.343 126.635 121.223 0.116 0.000 2.349 214 L HA 0.393 4.735 4.340 0.003 0.000 0.278 214 L C -1.108 175.788 176.870 0.043 0.000 0.996 214 L CA -0.558 54.311 54.840 0.048 0.000 0.825 214 L CB 1.674 43.734 42.059 0.002 0.000 1.243 214 L HN 0.449 nan 8.230 nan 0.000 0.412 215 D N 3.744 124.159 120.400 0.025 0.000 2.351 215 D HA 0.218 4.860 4.640 0.003 0.000 0.251 215 D C 0.741 176.997 176.300 -0.072 0.000 1.137 215 D CA 0.231 54.249 54.000 0.031 0.000 0.879 215 D CB 2.144 42.962 40.800 0.031 0.000 1.181 215 D HN 0.500 nan 8.370 nan 0.000 0.448 216 V N 0.277 120.112 119.914 -0.131 0.000 3.176 216 V HA 0.330 4.452 4.120 0.003 0.000 0.332 216 V C -0.660 175.080 176.094 -0.589 0.000 1.414 216 V CA -0.246 61.845 62.300 -0.348 0.000 1.133 216 V CB -0.876 30.699 31.823 -0.414 0.000 1.088 216 V HN 0.276 nan 8.190 nan 0.000 0.473 217 Y N -0.435 119.773 120.300 -0.155 0.000 2.512 217 Y HA 0.713 5.265 4.550 0.003 0.000 0.348 217 Y C 0.628 176.417 175.900 -0.185 0.000 0.990 217 Y CA -1.040 56.968 58.100 -0.153 0.000 1.033 217 Y CB 1.452 39.885 38.460 -0.045 0.000 1.259 217 Y HN 0.112 nan 8.280 nan 0.000 0.461 218 H N -0.140 119.040 119.070 0.184 0.000 2.490 218 H HA 0.230 4.787 4.556 0.003 0.000 0.354 218 H C 0.668 176.052 175.328 0.093 0.000 1.365 218 H CA 0.226 56.337 56.048 0.104 0.000 1.413 218 H CB 1.206 31.014 29.762 0.076 0.000 1.631 218 H HN 0.693 nan 8.280 nan 0.000 0.607 219 S N 0.285 116.114 115.700 0.215 0.000 2.348 219 S HA -0.190 4.282 4.470 0.003 0.000 0.221 219 S C 1.455 176.113 174.600 0.096 0.000 1.033 219 S CA 1.798 60.067 58.200 0.116 0.000 1.010 219 S CB -0.385 62.863 63.200 0.080 0.000 0.891 219 S HN 0.727 nan 8.310 nan 0.000 0.442 220 D N 0.565 121.026 120.400 0.102 0.000 2.311 220 D HA 0.096 4.737 4.640 0.003 0.000 0.212 220 D C 1.298 177.646 176.300 0.079 0.000 0.972 220 D CA 1.057 55.100 54.000 0.073 0.000 0.887 220 D CB -0.656 40.179 40.800 0.059 0.000 0.915 220 D HN 0.519 nan 8.370 nan 0.000 0.497 221 G N -0.729 108.143 108.800 0.121 0.000 2.184 221 G HA2 -0.212 3.750 3.960 0.003 0.000 0.206 221 G HA3 -0.212 3.750 3.960 0.003 0.000 0.206 221 G C 0.407 175.417 174.900 0.184 0.000 0.995 221 G CA 0.164 45.319 45.100 0.092 0.000 0.651 221 G HN 0.797 nan 8.290 nan 0.000 0.511 222 T N 0.366 115.068 114.554 0.246 0.000 2.910 222 T HA 0.654 5.006 4.350 0.003 0.000 0.293 222 T C -2.088 172.815 174.700 0.339 0.000 1.015 222 T CA -1.265 61.003 62.100 0.281 0.000 1.094 222 T CB 2.496 71.511 68.868 0.246 0.000 0.968 222 T HN 0.200 nan 8.240 nan 0.000 0.521 223 P HA 0.289 nan 4.420 nan 0.000 0.278 223 P C -0.440 176.805 177.300 -0.091 0.000 1.238 223 P CA -0.735 62.325 63.100 -0.067 0.000 0.794 223 P CB 0.681 32.330 31.700 -0.085 0.000 0.955 224 L N 2.454 123.497 121.223 -0.299 0.000 2.473 224 L HA 0.187 4.529 4.340 0.003 0.000 0.268 224 L C 1.570 178.414 176.870 -0.043 0.000 1.215 224 L CA 0.899 55.622 54.840 -0.195 0.000 0.823 224 L CB -0.326 41.575 42.059 -0.263 0.000 1.099 224 L HN 0.506 nan 8.230 nan 0.000 0.483 225 T N -2.177 112.405 114.554 0.046 0.000 2.902 225 T HA 0.278 4.629 4.350 0.003 0.000 0.280 225 T C 1.287 176.010 174.700 0.039 0.000 0.992 225 T CA -0.139 61.993 62.100 0.054 0.000 1.015 225 T CB 0.928 69.841 68.868 0.076 0.000 1.044 225 T HN 0.645 nan 8.240 nan 0.000 0.520 226 S N 0.859 116.590 115.700 0.050 0.000 2.374 226 S HA -0.220 4.251 4.470 0.003 0.000 0.227 226 S C 1.283 175.924 174.600 0.068 0.000 1.037 226 S CA 1.558 59.786 58.200 0.047 0.000 1.024 226 S CB -0.852 62.377 63.200 0.049 0.000 0.861 226 S HN 0.778 nan 8.310 nan 0.000 0.456 227 D N 1.721 122.154 120.400 0.056 0.000 2.117 227 D HA -0.063 4.578 4.640 0.003 0.000 0.198 227 D C 2.351 178.736 176.300 0.141 0.000 0.982 227 D CA 1.357 55.404 54.000 0.079 0.000 0.828 227 D CB -0.527 40.296 40.800 0.038 0.000 0.967 227 D HN 0.607 nan 8.370 nan 0.000 0.464 228 Q N 0.072 119.929 119.800 0.094 0.000 2.050 228 Q HA -0.059 4.283 4.340 0.003 0.000 0.202 228 Q C 2.494 178.524 176.000 0.049 0.000 0.980 228 Q CA 0.787 56.637 55.803 0.078 0.000 0.840 228 Q CB -0.083 28.703 28.738 0.080 0.000 0.898 228 Q HN 0.325 nan 8.270 nan 0.000 0.424 229 I N 0.239 120.827 120.570 0.029 0.000 2.208 229 I HA -0.285 3.886 4.170 0.003 0.000 0.245 229 I C 2.205 178.332 176.117 0.016 0.000 1.097 229 I CA 1.078 62.373 61.300 -0.007 0.000 1.363 229 I CB -0.314 37.671 38.000 -0.025 0.000 1.051 229 I HN 0.174 nan 8.210 nan 0.000 0.413 230 F N 1.586 121.499 119.950 -0.062 0.000 2.069 230 F HA -0.237 4.292 4.527 0.003 0.000 0.298 230 F C 2.386 178.146 175.800 -0.068 0.000 1.113 230 F CA 1.809 59.767 58.000 -0.070 0.000 1.214 230 F CB -0.558 38.404 39.000 -0.063 0.000 0.978 230 F HN -0.221 nan 8.300 nan 0.000 0.474 231 V N 0.785 120.660 119.914 -0.065 0.000 2.324 231 V HA -0.343 3.779 4.120 0.003 0.000 0.250 231 V C 2.478 178.447 176.094 -0.208 0.000 1.060 231 V CA 2.148 64.358 62.300 -0.152 0.000 1.042 231 V CB -0.877 30.950 31.823 0.007 0.000 0.650 231 V HN 0.417 nan 8.190 nan 0.000 0.450 232 Q N -0.403 119.310 119.800 -0.145 0.000 2.079 232 Q HA -0.061 4.281 4.340 0.003 0.000 0.200 232 Q C 2.308 178.192 176.000 -0.193 0.000 0.974 232 Q CA 1.373 57.096 55.803 -0.133 0.000 0.840 232 Q CB -0.430 28.255 28.738 -0.089 0.000 0.898 232 Q HN 0.555 nan 8.270 nan 0.000 0.430 233 L N 0.594 121.677 121.223 -0.234 0.000 2.131 233 L HA -0.183 4.159 4.340 0.003 0.000 0.210 233 L C 2.410 179.105 176.870 -0.293 0.000 1.092 233 L CA 1.046 55.739 54.840 -0.244 0.000 0.759 233 L CB -0.329 41.597 42.059 -0.222 0.000 0.903 233 L HN 0.282 nan 8.230 nan 0.000 0.435 234 E N 0.503 120.448 120.200 -0.426 0.000 2.072 234 E HA -0.217 4.135 4.350 0.003 0.000 0.191 234 E C 2.160 178.642 176.600 -0.195 0.000 0.985 234 E CA 1.150 57.316 56.400 -0.389 0.000 0.801 234 E CB 0.194 29.586 29.700 -0.514 0.000 0.750 234 E HN 0.374 nan 8.360 nan 0.000 0.452 235 K N 0.205 120.495 120.400 -0.184 0.000 2.026 235 K HA -0.135 4.187 4.320 0.003 0.000 0.208 235 K C 2.197 178.689 176.600 -0.180 0.000 1.048 235 K CA 1.436 57.646 56.287 -0.128 0.000 0.929 235 K CB -0.185 32.254 32.500 -0.102 0.000 0.713 235 K HN 0.199 nan 8.250 nan 0.000 0.439 236 I N 0.302 120.693 120.570 -0.299 0.000 2.163 236 I HA -0.309 3.863 4.170 0.003 0.000 0.243 236 I C 2.423 178.245 176.117 -0.492 0.000 1.085 236 I CA 1.176 62.091 61.300 -0.643 0.000 1.347 236 I CB -0.385 37.245 38.000 -0.617 0.000 1.044 236 I HN 0.438 nan 8.210 nan 0.000 0.408 237 W N 2.559 123.601 121.300 -0.430 0.000 2.338 237 W HA -0.206 4.456 4.660 0.003 0.000 0.304 237 W C 2.139 178.588 176.519 -0.117 0.000 1.212 237 W CA 1.587 58.724 57.345 -0.347 0.000 1.264 237 W CB -0.483 28.729 29.460 -0.414 0.000 1.142 237 W HN 0.241 nan 8.180 nan 0.000 0.512 238 N N 0.077 118.875 118.700 0.163 0.000 2.459 238 N HA -0.091 4.650 4.740 0.003 0.000 0.181 238 N C 1.458 177.004 175.510 0.060 0.000 1.046 238 N CA 1.173 54.303 53.050 0.134 0.000 0.904 238 N CB -0.395 38.142 38.487 0.083 0.000 0.964 238 N HN -0.025 nan 8.380 nan 0.000 0.444 239 S N -0.183 115.523 115.700 0.011 0.000 2.593 239 S HA 0.056 4.528 4.470 0.003 0.000 0.217 239 S C 0.663 175.383 174.600 0.200 0.000 0.966 239 S CA -0.127 58.137 58.200 0.107 0.000 0.914 239 S CB 0.142 63.445 63.200 0.172 0.000 0.776 239 S HN 0.374 nan 8.310 nan 0.000 0.523 240 S N 0.046 115.797 115.700 0.085 0.000 2.607 240 S HA 0.330 4.802 4.470 0.003 0.000 0.196 240 S C 0.495 174.986 174.600 -0.183 0.000 0.911 240 S CA -0.483 57.733 58.200 0.027 0.000 1.133 240 S CB -0.821 62.462 63.200 0.139 0.000 1.612 240 S HN 0.227 nan 8.310 nan 0.000 0.437 241 L N 0.276 121.441 121.223 -0.096 0.000 2.201 241 L HA 0.044 4.385 4.340 0.003 0.000 0.212 241 L C 0.820 177.595 176.870 -0.159 0.000 1.105 241 L CA 0.981 55.764 54.840 -0.096 0.000 0.775 241 L CB -0.179 41.900 42.059 0.032 0.000 0.913 241 L HN 0.460 nan 8.230 nan 0.000 0.440 242 Q N -0.898 118.806 119.800 -0.159 0.000 2.348 242 Q HA 0.316 4.658 4.340 0.003 0.000 0.271 242 Q C -0.441 175.423 176.000 -0.227 0.000 1.067 242 Q CA -0.269 55.437 55.803 -0.161 0.000 0.839 242 Q CB 2.041 30.731 28.738 -0.079 0.000 1.354 242 Q HN -0.135 nan 8.270 nan 0.000 0.447 243 S N 2.285 117.839 115.700 -0.244 0.000 3.700 243 S HA 0.064 4.536 4.470 0.003 0.000 0.192 243 S C 0.842 175.377 174.600 -0.109 0.000 1.430 243 S CA -0.434 57.590 58.200 -0.295 0.000 0.999 243 S CB -0.413 62.513 63.200 -0.457 0.000 1.411 243 S HN 0.494 nan 8.310 nan 0.000 0.491 244 N N 0.688 119.354 118.700 -0.057 0.000 2.254 244 N HA 0.034 4.776 4.740 0.003 0.000 0.190 244 N C -0.067 175.468 175.510 0.041 0.000 1.107 244 N CA -0.174 52.875 53.050 -0.001 0.000 0.869 244 N CB 0.324 38.807 38.487 -0.006 0.000 0.983 244 N HN 0.157 nan 8.380 nan 0.000 0.487 245 K N 1.430 121.869 120.400 0.065 0.000 2.118 245 K HA 0.211 4.533 4.320 0.003 0.000 0.264 245 K C 0.330 177.023 176.600 0.156 0.000 1.000 245 K CA -0.434 55.918 56.287 0.108 0.000 0.929 245 K CB 1.195 33.769 32.500 0.123 0.000 1.021 245 K HN 0.068 nan 8.250 nan 0.000 0.463 246 E N 2.919 123.189 120.200 0.117 0.000 2.384 246 E HA 0.043 4.395 4.350 0.003 0.000 0.266 246 E C -1.914 174.719 176.600 0.055 0.000 1.012 246 E CA -1.640 54.803 56.400 0.072 0.000 0.901 246 E CB 0.296 30.018 29.700 0.037 0.000 0.967 246 E HN 0.226 nan 8.360 nan 0.000 0.435 247 P HA 0.041 nan 4.420 nan 0.000 0.226 247 P C 0.888 178.099 177.300 -0.148 0.000 1.783 247 P CA 0.029 62.972 63.100 -0.260 0.000 0.980 247 P CB -0.044 31.249 31.700 -0.678 0.000 1.967 248 V N 1.635 121.502 119.914 -0.078 0.000 2.370 248 V HA -0.241 3.881 4.120 0.003 0.000 0.252 248 V C 2.799 178.817 176.094 -0.127 0.000 1.068 248 V CA 2.629 64.827 62.300 -0.170 0.000 1.061 248 V CB -1.651 29.876 31.823 -0.493 0.000 0.656 248 V HN 0.387 nan 8.190 nan 0.000 0.455 249 G N -0.792 108.074 108.800 0.109 0.000 2.479 249 G HA2 -0.248 3.714 3.960 0.003 0.000 0.220 249 G HA3 -0.248 3.714 3.960 0.003 0.000 0.220 249 G C 1.563 176.363 174.900 -0.167 0.000 1.115 249 G CA 0.741 45.928 45.100 0.145 0.000 0.757 249 G HN 0.550 nan 8.290 nan 0.000 0.560 250 I N 0.274 120.741 120.570 -0.171 0.000 2.756 250 I HA -0.020 4.152 4.170 0.003 0.000 0.262 250 I C 2.331 178.248 176.117 -0.332 0.000 1.225 250 I CA 0.312 61.505 61.300 -0.179 0.000 1.472 250 I CB 0.087 37.984 38.000 -0.173 0.000 1.094 250 I HN 0.145 nan 8.210 nan 0.000 0.454 251 L N 0.279 121.207 121.223 -0.492 0.000 2.131 251 L HA -0.211 4.131 4.340 0.003 0.000 0.210 251 L C 2.550 178.664 176.870 -1.259 0.000 1.092 251 L CA 1.852 56.273 54.840 -0.698 0.000 0.759 251 L CB -1.176 40.476 42.059 -0.679 0.000 0.903 251 L HN 0.416 nan 8.230 nan 0.000 0.435 252 T N -3.837 109.836 114.554 -1.469 0.000 3.098 252 T HA -0.105 4.247 4.350 0.003 0.000 0.266 252 T C 1.713 175.982 174.700 -0.718 0.000 1.145 252 T CA 1.007 62.199 62.100 -1.514 0.000 1.092 252 T CB -0.332 67.870 68.868 -1.109 0.000 0.908 252 T HN 0.438 nan 8.240 nan 0.000 0.526 253 S N -0.216 115.184 115.700 -0.500 0.000 2.556 253 S HA 0.203 4.675 4.470 0.003 0.000 0.216 253 S C 0.725 175.149 174.600 -0.295 0.000 0.970 253 S CA -0.727 57.218 58.200 -0.425 0.000 0.912 253 S CB -0.369 62.583 63.200 -0.413 0.000 0.790 253 S HN 0.401 nan 8.310 nan 0.000 0.504 254 N N 1.805 120.346 118.700 -0.265 0.000 2.413 254 N HA 0.185 4.927 4.740 0.003 0.000 0.266 254 N C -0.398 175.106 175.510 -0.010 0.000 1.238 254 N CA -0.376 52.616 53.050 -0.097 0.000 0.972 254 N CB 0.433 38.893 38.487 -0.045 0.000 1.210 254 N HN 0.441 nan 8.380 nan 0.000 0.547 255 H N 0.955 119.998 119.070 -0.044 0.000 3.038 255 H HA 0.005 4.562 4.556 0.003 0.000 0.338 255 H C 1.206 176.543 175.328 0.015 0.000 1.041 255 H CA 0.369 56.385 56.048 -0.053 0.000 1.394 255 H CB 0.722 30.444 29.762 -0.065 0.000 1.357 255 H HN 0.334 nan 8.280 nan 0.000 0.600 256 R N 3.362 123.639 120.500 -0.372 0.000 2.105 256 R HA -0.188 4.154 4.340 0.003 0.000 0.239 256 R C 1.809 178.126 176.300 0.029 0.000 1.135 256 R CA 1.665 57.693 56.100 -0.121 0.000 0.967 256 R CB -0.995 29.167 30.300 -0.230 0.000 0.861 256 R HN 0.732 nan 8.270 nan 0.000 0.442 257 N N -0.048 118.752 118.700 0.167 0.000 2.142 257 N HA -0.114 4.628 4.740 0.003 0.000 0.186 257 N C 1.270 176.880 175.510 0.166 0.000 1.023 257 N CA 1.948 55.116 53.050 0.197 0.000 0.852 257 N CB 0.011 38.658 38.487 0.267 0.000 0.998 257 N HN 0.104 nan 8.380 nan 0.000 0.424 258 T N -0.694 113.997 114.554 0.229 0.000 2.737 258 T HA -0.158 4.194 4.350 0.003 0.000 0.265 258 T C 1.386 176.227 174.700 0.235 0.000 1.038 258 T CA 1.093 63.295 62.100 0.170 0.000 1.144 258 T CB -0.570 68.386 68.868 0.147 0.000 0.866 258 T HN 0.460 nan 8.240 nan 0.000 0.434 259 W N 1.810 123.120 121.300 0.016 0.000 2.363 259 W HA -0.104 4.558 4.660 0.003 0.000 0.296 259 W C 2.461 179.010 176.519 0.050 0.000 1.212 259 W CA 0.589 57.932 57.345 -0.003 0.000 1.260 259 W CB -0.151 29.267 29.460 -0.070 0.000 1.131 259 W HN 0.296 nan 8.180 nan 0.000 0.530 260 A N 1.239 124.011 122.820 -0.081 0.000 1.908 260 A HA -0.253 4.069 4.320 0.003 0.000 0.218 260 A C 1.925 179.460 177.584 -0.081 0.000 1.181 260 A CA 2.146 54.068 52.037 -0.192 0.000 0.627 260 A CB -0.753 18.195 19.000 -0.087 0.000 0.818 260 A HN 0.372 nan 8.150 nan 0.000 0.445 261 K N -0.543 119.857 120.400 0.000 0.000 2.062 261 K HA 0.076 4.398 4.320 0.003 0.000 0.205 261 K C 2.302 178.921 176.600 0.032 0.000 1.051 261 K CA 0.939 57.236 56.287 0.017 0.000 0.941 261 K CB -0.271 32.249 32.500 0.034 0.000 0.719 261 K HN 0.416 nan 8.250 nan 0.000 0.440 262 A N 0.818 123.701 122.820 0.105 0.000 1.930 262 A HA -0.190 4.132 4.320 0.003 0.000 0.217 262 A C 2.049 179.704 177.584 0.118 0.000 1.175 262 A CA 1.141 53.284 52.037 0.177 0.000 0.627 262 A CB -0.647 18.568 19.000 0.357 0.000 0.815 262 A HN 0.417 nan 8.150 nan 0.000 0.443 263 Y N 1.230 121.348 120.300 -0.303 0.000 2.163 263 Y HA -0.205 4.346 4.550 0.003 0.000 0.288 263 Y C 2.283 178.051 175.900 -0.221 0.000 1.136 263 Y CA 1.928 59.680 58.100 -0.579 0.000 1.147 263 Y CB -0.393 37.287 38.460 -1.299 0.000 0.987 263 Y HN 0.446 nan 8.280 nan 0.000 0.509 264 N N 0.354 118.922 118.700 -0.220 0.000 2.149 264 N HA -0.261 4.481 4.740 0.003 0.000 0.188 264 N C 1.617 177.023 175.510 -0.173 0.000 1.019 264 N CA 1.615 54.537 53.050 -0.213 0.000 0.857 264 N CB -0.405 38.041 38.487 -0.068 0.000 0.997 264 N HN 0.525 nan 8.380 nan 0.000 0.426 265 N N 0.584 119.228 118.700 -0.093 0.000 2.171 265 N HA -0.118 4.623 4.740 0.003 0.000 0.184 265 N C 1.927 177.412 175.510 -0.041 0.000 1.021 265 N CA 0.575 53.598 53.050 -0.045 0.000 0.854 265 N CB -0.367 38.120 38.487 0.000 0.000 0.994 265 N HN 0.161 nan 8.380 nan 0.000 0.426 266 L N 1.276 122.482 121.223 -0.030 0.000 2.043 266 L HA -0.087 4.255 4.340 0.003 0.000 0.212 266 L C 1.670 178.539 176.870 -0.003 0.000 1.075 266 L CA 1.648 56.508 54.840 0.033 0.000 0.752 266 L CB -0.712 41.425 42.059 0.131 0.000 0.891 266 L HN 0.515 nan 8.230 nan 0.000 0.432 267 I N -4.329 116.148 120.570 -0.155 0.000 3.646 267 I HA -0.010 4.162 4.170 0.003 0.000 0.301 267 I C 1.780 177.839 176.117 -0.096 0.000 1.276 267 I CA 0.367 61.580 61.300 -0.145 0.000 1.254 267 I CB -0.605 37.209 38.000 -0.310 0.000 1.020 267 I HN 0.128 nan 8.210 nan 0.000 0.473 268 K N 1.236 121.595 120.400 -0.069 0.000 2.211 268 K HA -0.081 4.240 4.320 0.003 0.000 0.203 268 K C 0.428 177.012 176.600 -0.026 0.000 1.050 268 K CA 0.793 57.053 56.287 -0.045 0.000 0.945 268 K CB -0.180 32.300 32.500 -0.032 0.000 0.732 268 K HN 0.456 nan 8.250 nan 0.000 0.451 269 D N 0.926 121.319 120.400 -0.011 0.000 2.308 269 D HA -0.007 4.635 4.640 0.003 0.000 0.251 269 D C 0.903 177.190 176.300 -0.022 0.000 1.127 269 D CA -0.011 53.986 54.000 -0.005 0.000 0.876 269 D CB 1.235 42.047 40.800 0.020 0.000 1.176 269 D HN -0.133 nan 8.370 nan 0.000 0.446 270 K N 2.534 122.916 120.400 -0.030 0.000 2.044 270 K HA -0.176 4.145 4.320 0.003 0.000 0.210 270 K C 1.481 178.041 176.600 -0.067 0.000 1.049 270 K CA 1.545 57.805 56.287 -0.045 0.000 0.927 270 K CB -0.079 32.396 32.500 -0.041 0.000 0.713 270 K HN 0.429 nan 8.250 nan 0.000 0.443 271 V N 1.987 121.859 119.914 -0.070 0.000 2.295 271 V HA -0.261 3.861 4.120 0.003 0.000 0.246 271 V C 2.020 178.014 176.094 -0.167 0.000 1.049 271 V CA 2.061 64.292 62.300 -0.116 0.000 1.024 271 V CB -0.773 30.990 31.823 -0.100 0.000 0.648 271 V HN 0.400 nan 8.190 nan 0.000 0.447 272 N N 0.372 119.020 118.700 -0.086 0.000 2.043 272 N HA -0.196 4.545 4.740 0.003 0.000 0.193 272 N C 1.957 177.439 175.510 -0.046 0.000 1.037 272 N CA 1.765 54.800 53.050 -0.025 0.000 0.851 272 N CB -0.541 38.056 38.487 0.185 0.000 1.027 272 N HN 0.440 nan 8.380 nan 0.000 0.422 273 R N 1.153 121.628 120.500 -0.041 0.000 2.105 273 R HA -0.133 4.209 4.340 0.003 0.000 0.239 273 R C 1.995 178.244 176.300 -0.085 0.000 1.135 273 R CA 1.557 57.626 56.100 -0.051 0.000 0.967 273 R CB -0.120 30.147 30.300 -0.055 0.000 0.861 273 R HN 0.382 nan 8.270 nan 0.000 0.442 274 E N -0.415 119.710 120.200 -0.125 0.000 2.077 274 E HA -0.150 4.201 4.350 0.003 0.000 0.193 274 E C 1.682 178.150 176.600 -0.220 0.000 0.989 274 E CA 1.552 57.859 56.400 -0.155 0.000 0.800 274 E CB 0.038 29.645 29.700 -0.156 0.000 0.746 274 E HN 0.300 nan 8.360 nan 0.000 0.452 275 S N -0.045 115.460 115.700 -0.325 0.000 2.355 275 S HA -0.119 4.353 4.470 0.003 0.000 0.222 275 S C 2.034 176.411 174.600 -0.372 0.000 1.031 275 S CA 1.079 58.994 58.200 -0.475 0.000 0.993 275 S CB -0.113 62.482 63.200 -1.008 0.000 0.859 275 S HN 0.156 nan 8.310 nan 0.000 0.453 276 V N 3.191 122.975 119.914 -0.217 0.000 2.343 276 V HA -0.196 3.925 4.120 0.003 0.000 0.247 276 V C 2.384 178.394 176.094 -0.140 0.000 1.051 276 V CA 1.661 63.872 62.300 -0.147 0.000 1.036 276 V CB -0.769 31.156 31.823 0.169 0.000 0.654 276 V HN 0.566 nan 8.190 nan 0.000 0.451 277 N N -0.146 118.498 118.700 -0.094 0.000 2.104 277 N HA -0.206 4.536 4.740 0.003 0.000 0.190 277 N C 2.162 177.588 175.510 -0.139 0.000 1.024 277 N CA 1.861 54.858 53.050 -0.087 0.000 0.853 277 N CB -0.012 38.420 38.487 -0.091 0.000 1.008 277 N HN 0.459 nan 8.380 nan 0.000 0.424 278 S N 0.542 116.146 115.700 -0.160 0.000 2.368 278 S HA -0.017 4.455 4.470 0.003 0.000 0.225 278 S C 2.160 176.753 174.600 -0.011 0.000 1.030 278 S CA 0.632 58.779 58.200 -0.089 0.000 0.999 278 S CB -0.201 62.898 63.200 -0.167 0.000 0.844 278 S HN 0.326 nan 8.310 nan 0.000 0.459 279 I N 1.327 121.779 120.570 -0.197 0.000 2.163 279 I HA -0.248 3.924 4.170 0.003 0.000 0.243 279 I C 2.782 178.798 176.117 -0.170 0.000 1.085 279 I CA 1.552 62.674 61.300 -0.297 0.000 1.347 279 I CB -0.495 37.011 38.000 -0.824 0.000 1.044 279 I HN 0.428 nan 8.210 nan 0.000 0.408 280 Q N 0.676 120.411 119.800 -0.108 0.000 2.124 280 Q HA -0.203 4.139 4.340 0.003 0.000 0.202 280 Q C 2.096 178.163 176.000 0.112 0.000 0.977 280 Q CA 1.311 57.167 55.803 0.090 0.000 0.850 280 Q CB -0.117 28.740 28.738 0.198 0.000 0.901 280 Q HN 0.503 nan 8.270 nan 0.000 0.429 281 K N 0.954 121.283 120.400 -0.119 0.000 2.305 281 K HA 0.025 4.346 4.320 0.003 0.000 0.199 281 K C 0.888 177.396 176.600 -0.154 0.000 1.047 281 K CA 0.329 56.452 56.287 -0.273 0.000 0.976 281 K CB 0.132 32.312 32.500 -0.534 0.000 0.765 281 K HN 0.144 nan 8.250 nan 0.000 0.474 282 S N 1.096 116.655 115.700 -0.235 0.000 2.558 282 S HA -0.016 4.456 4.470 0.003 0.000 0.291 282 S C 1.345 175.812 174.600 -0.222 0.000 1.306 282 S CA -0.281 57.598 58.200 -0.534 0.000 1.056 282 S CB 0.267 63.263 63.200 -0.341 0.000 0.836 282 S HN 0.112 nan 8.310 nan 0.000 0.504 283 I N 1.222 121.641 120.570 -0.251 0.000 2.194 283 I HA -0.058 4.114 4.170 0.003 0.000 0.246 283 I C 0.760 177.024 176.117 0.245 0.000 1.093 283 I CA 1.455 62.772 61.300 0.029 0.000 1.355 283 I CB -0.542 37.505 38.000 0.078 0.000 1.046 283 I HN 0.830 nan 8.210 nan 0.000 0.413 284 F N -2.765 117.216 119.950 0.052 0.000 2.842 284 F HA 0.502 5.031 4.527 0.003 0.000 0.319 284 F C -1.068 174.819 175.800 0.145 0.000 1.159 284 F CA -1.212 56.872 58.000 0.140 0.000 0.902 284 F CB 0.782 39.935 39.000 0.256 0.000 1.311 284 F HN -0.498 nan 8.300 nan 0.000 0.453 285 T N 1.824 116.638 114.554 0.434 0.000 2.823 285 T HA 0.674 5.026 4.350 0.003 0.000 0.279 285 T C -1.120 173.848 174.700 0.447 0.000 0.998 285 T CA -0.670 61.615 62.100 0.308 0.000 0.994 285 T CB 1.830 70.867 68.868 0.282 0.000 0.960 285 T HN 0.602 nan 8.240 nan 0.000 0.448 286 V N 2.545 122.645 119.914 0.309 0.000 2.384 286 V HA 0.342 4.464 4.120 0.003 0.000 0.287 286 V C -0.206 176.017 176.094 0.215 0.000 1.020 286 V CA -0.825 61.662 62.300 0.312 0.000 0.850 286 V CB 1.231 33.191 31.823 0.229 0.000 0.987 286 V HN 1.062 nan 8.190 nan 0.000 0.436 287 C N 6.410 125.839 119.300 0.216 0.000 2.264 287 C HA 0.540 5.002 4.460 0.003 0.000 0.324 287 C C 0.320 175.420 174.990 0.182 0.000 1.267 287 C CA -0.916 58.200 59.018 0.164 0.000 1.618 287 C CB -0.119 27.706 27.740 0.142 0.000 2.278 287 C HN 0.713 nan 8.230 nan 0.000 0.499 288 L N 3.828 125.153 121.223 0.170 0.000 2.315 288 L HA 0.268 4.609 4.340 0.003 0.000 0.278 288 L C -0.252 176.763 176.870 0.241 0.000 1.088 288 L CA 0.052 55.023 54.840 0.219 0.000 0.899 288 L CB -0.186 41.985 42.059 0.187 0.000 1.277 288 L HN 0.634 nan 8.230 nan 0.000 0.431 289 D N 2.666 123.211 120.400 0.242 0.000 2.362 289 D HA 0.193 4.835 4.640 0.003 0.000 0.242 289 D C 0.266 176.719 176.300 0.255 0.000 1.132 289 D CA 0.009 54.143 54.000 0.222 0.000 0.907 289 D CB 1.010 41.941 40.800 0.219 0.000 1.195 289 D HN 0.402 nan 8.370 nan 0.000 0.429 290 K N 0.282 120.799 120.400 0.195 0.000 2.177 290 K HA 0.333 4.655 4.320 0.003 0.000 0.238 290 K C -0.002 176.728 176.600 0.216 0.000 1.015 290 K CA -0.981 55.429 56.287 0.204 0.000 0.922 290 K CB 0.841 33.387 32.500 0.078 0.000 1.127 290 K HN 0.300 nan 8.250 nan 0.000 0.469 291 Q N 1.130 121.057 119.800 0.211 0.000 2.330 291 Q HA 0.106 4.448 4.340 0.003 0.000 0.279 291 Q C -0.548 175.570 176.000 0.196 0.000 1.024 291 Q CA -0.521 55.398 55.803 0.193 0.000 0.900 291 Q CB 0.668 29.507 28.738 0.168 0.000 1.221 291 Q HN 0.516 nan 8.270 nan 0.000 0.396 292 V N 1.414 121.445 119.914 0.195 0.000 2.864 292 V HA 0.640 4.762 4.120 0.003 0.000 0.314 292 V C -2.447 173.749 176.094 0.170 0.000 1.073 292 V CA -2.479 59.957 62.300 0.227 0.000 0.956 292 V CB 1.015 32.942 31.823 0.173 0.000 1.023 292 V HN 0.787 nan 8.190 nan 0.000 0.435 293 P HA 0.117 nan 4.420 nan 0.000 0.256 293 P C -0.064 177.272 177.300 0.061 0.000 1.173 293 P CA 0.221 63.402 63.100 0.134 0.000 0.768 293 P CB 0.117 31.928 31.700 0.185 0.000 0.758 294 R N 2.926 123.455 120.500 0.049 0.000 2.583 294 R HA 0.183 4.525 4.340 0.003 0.000 0.274 294 R C -0.013 176.272 176.300 -0.025 0.000 0.998 294 R CA 0.024 56.134 56.100 0.018 0.000 1.081 294 R CB 0.143 30.446 30.300 0.005 0.000 0.940 294 R HN 0.372 nan 8.270 nan 0.000 0.413 295 V N 0.798 120.676 119.914 -0.060 0.000 3.113 295 V HA 0.529 4.651 4.120 0.003 0.000 0.316 295 V C -0.184 175.858 176.094 -0.087 0.000 1.125 295 V CA -0.857 61.359 62.300 -0.139 0.000 1.026 295 V CB 1.768 33.336 31.823 -0.424 0.000 1.080 295 V HN 0.935 nan 8.190 nan 0.000 0.444 296 S N 0.565 116.216 115.700 -0.082 0.000 2.558 296 S HA 0.020 4.492 4.470 0.003 0.000 0.293 296 S C 0.608 175.201 174.600 -0.013 0.000 1.292 296 S CA 0.334 58.510 58.200 -0.040 0.000 1.063 296 S CB 0.119 63.307 63.200 -0.019 0.000 0.831 296 S HN 0.834 nan 8.310 nan 0.000 0.499 297 D N 2.194 122.580 120.400 -0.022 0.000 2.221 297 D HA -0.166 4.476 4.640 0.003 0.000 0.204 297 D C 1.452 177.780 176.300 0.047 0.000 0.982 297 D CA 1.550 55.542 54.000 -0.013 0.000 0.857 297 D CB -0.328 40.436 40.800 -0.061 0.000 0.934 297 D HN 0.887 nan 8.370 nan 0.000 0.475 298 D N 1.099 121.519 120.400 0.034 0.000 2.348 298 D HA -0.103 4.539 4.640 0.003 0.000 0.216 298 D C 1.793 178.138 176.300 0.075 0.000 0.970 298 D CA 0.600 54.630 54.000 0.049 0.000 0.889 298 D CB 0.030 40.852 40.800 0.038 0.000 0.912 298 D HN 0.325 nan 8.370 nan 0.000 0.524 299 V N -3.630 116.336 119.914 0.088 0.000 3.330 299 V HA 0.190 4.311 4.120 0.003 0.000 0.309 299 V C 1.747 177.940 176.094 0.166 0.000 1.481 299 V CA -0.724 61.652 62.300 0.126 0.000 1.068 299 V CB -0.751 31.165 31.823 0.155 0.000 0.935 299 V HN -0.060 nan 8.190 nan 0.000 0.453 300 Y N 2.508 122.802 120.300 -0.009 0.000 2.053 300 Y HA -0.203 4.349 4.550 0.003 0.000 0.277 300 Y C 2.736 178.652 175.900 0.027 0.000 1.159 300 Y CA 2.759 60.843 58.100 -0.027 0.000 1.125 300 Y CB -0.214 38.218 38.460 -0.045 0.000 0.969 300 Y HN 0.285 nan 8.280 nan 0.000 0.492 301 R N 0.217 120.678 120.500 -0.065 0.000 2.117 301 R HA -0.213 4.129 4.340 0.003 0.000 0.243 301 R C 1.909 178.093 176.300 -0.193 0.000 1.143 301 R CA 1.854 57.851 56.100 -0.172 0.000 0.968 301 R CB -0.306 29.985 30.300 -0.015 0.000 0.863 301 R HN 0.449 nan 8.270 nan 0.000 0.444 302 N N -0.244 118.397 118.700 -0.097 0.000 2.166 302 N HA -0.153 4.589 4.740 0.003 0.000 0.186 302 N C 1.493 176.876 175.510 -0.211 0.000 1.019 302 N CA 1.362 54.323 53.050 -0.148 0.000 0.856 302 N CB -0.428 38.017 38.487 -0.070 0.000 0.993 302 N HN 0.411 nan 8.380 nan 0.000 0.426 303 H N 0.001 118.930 119.070 -0.235 0.000 2.395 303 H HA 0.086 4.644 4.556 0.003 0.000 0.299 303 H C 2.064 177.217 175.328 -0.291 0.000 1.070 303 H CA 0.743 56.652 56.048 -0.232 0.000 1.356 303 H CB -0.155 29.492 29.762 -0.192 0.000 1.401 303 H HN -0.070 nan 8.280 nan 0.000 0.524 304 V N 0.573 120.319 119.914 -0.279 0.000 2.407 304 V HA -0.256 3.866 4.120 0.003 0.000 0.248 304 V C 2.555 178.514 176.094 -0.225 0.000 1.055 304 V CA 1.570 63.705 62.300 -0.276 0.000 1.049 304 V CB -1.030 30.558 31.823 -0.392 0.000 0.662 304 V HN 0.564 nan 8.190 nan 0.000 0.455 305 A N 0.685 123.292 122.820 -0.356 0.000 1.908 305 A HA -0.116 4.206 4.320 0.003 0.000 0.218 305 A C 2.428 179.710 177.584 -0.502 0.000 1.181 305 A CA 2.018 53.665 52.037 -0.651 0.000 0.627 305 A CB -1.207 17.200 19.000 -0.988 0.000 0.818 305 A HN 0.527 nan 8.150 nan 0.000 0.445 306 G N -1.038 107.495 108.800 -0.443 0.000 2.408 306 G HA2 -0.255 3.707 3.960 0.003 0.000 0.217 306 G HA3 -0.255 3.707 3.960 0.003 0.000 0.217 306 G C 1.608 176.143 174.900 -0.609 0.000 1.150 306 G CA 1.064 45.801 45.100 -0.606 0.000 0.776 306 G HN 0.641 nan 8.290 nan 0.000 0.542 307 Q N -0.671 118.976 119.800 -0.255 0.000 2.096 307 Q HA -0.120 4.222 4.340 0.003 0.000 0.204 307 Q C 2.477 178.470 176.000 -0.012 0.000 0.982 307 Q CA 1.391 57.143 55.803 -0.085 0.000 0.850 307 Q CB -0.132 28.597 28.738 -0.015 0.000 0.901 307 Q HN 0.352 nan 8.270 nan 0.000 0.422 308 M N -0.275 119.343 119.600 0.031 0.000 2.288 308 M HA -0.058 4.424 4.480 0.003 0.000 0.266 308 M C 2.018 178.421 176.300 0.172 0.000 1.072 308 M CA 0.737 56.128 55.300 0.152 0.000 1.132 308 M CB -0.794 31.976 32.600 0.283 0.000 1.386 308 M HN 0.279 nan 8.290 nan 0.000 0.432 309 L N 0.406 121.706 121.223 0.128 0.000 2.127 309 L HA -0.099 4.243 4.340 0.003 0.000 0.203 309 L C 2.383 179.295 176.870 0.070 0.000 1.080 309 L CA 1.729 56.640 54.840 0.118 0.000 0.768 309 L CB -0.407 41.733 42.059 0.135 0.000 0.924 309 L HN 0.518 nan 8.230 nan 0.000 0.444 310 H N -4.576 114.573 119.070 0.131 0.000 3.622 310 H HA 0.412 4.970 4.556 0.003 0.000 0.259 310 H C 1.312 176.778 175.328 0.229 0.000 1.145 310 H CA 0.633 56.724 56.048 0.072 0.000 1.178 310 H CB 0.702 30.414 29.762 -0.084 0.000 1.542 310 H HN 0.217 nan 8.280 nan 0.000 0.586 311 G N 0.593 109.545 108.800 0.252 0.000 2.213 311 G HA2 -0.192 3.769 3.960 0.003 0.000 0.226 311 G HA3 -0.192 3.769 3.960 0.003 0.000 0.226 311 G C 1.285 176.370 174.900 0.309 0.000 0.992 311 G CA 0.671 45.949 45.100 0.297 0.000 0.632 311 G HN 1.297 nan 8.290 nan 0.000 0.511 312 G N -1.091 107.978 108.800 0.448 0.000 2.299 312 G HA2 0.454 4.416 3.960 0.003 0.000 0.237 312 G HA3 0.454 4.416 3.960 0.003 0.000 0.237 312 G C 1.481 176.591 174.900 0.349 0.000 1.027 312 G CA 0.964 46.225 45.100 0.268 0.000 0.619 312 G HN 2.916 nan 8.290 nan 0.000 0.513 313 G N -1.654 107.395 108.800 0.415 0.000 2.339 313 G HA2 0.497 4.458 3.960 0.003 0.000 0.381 313 G HA3 0.497 4.458 3.960 0.003 0.000 0.381 313 G C 0.715 175.766 174.900 0.251 0.000 1.400 313 G CA 0.927 46.231 45.100 0.340 0.000 1.002 313 G HN 1.745 nan 8.290 nan 0.000 0.633 314 S N -0.673 115.077 115.700 0.083 0.000 2.507 314 S HA -0.005 4.466 4.470 0.003 0.000 0.235 314 S C 1.576 176.148 174.600 -0.047 0.000 0.988 314 S CA 1.527 59.716 58.200 -0.018 0.000 0.944 314 S CB 0.004 63.166 63.200 -0.062 0.000 0.762 314 S HN 0.507 nan 8.310 nan 0.000 0.526 315 K N 0.039 120.337 120.400 -0.171 0.000 2.393 315 K HA 0.297 4.619 4.320 0.003 0.000 0.193 315 K C 0.247 176.469 176.600 -0.629 0.000 1.026 315 K CA 0.265 56.270 56.287 -0.470 0.000 1.064 315 K CB -0.110 31.921 32.500 -0.782 0.000 0.833 315 K HN 0.545 nan 8.250 nan 0.000 0.521 316 F N 0.036 120.086 119.950 0.166 0.000 2.171 316 F HA 0.223 4.753 4.527 0.005 0.000 0.220 316 F C 1.504 177.444 175.800 0.234 0.000 1.118 316 F CA -0.350 57.755 58.000 0.174 0.000 1.229 316 F CB -0.095 38.995 39.000 0.149 0.000 1.616 316 F HN -0.175 nan 8.300 nan 0.000 0.477 317 N N -0.662 118.314 118.700 0.460 0.000 2.159 317 N HA 0.098 4.840 4.740 0.003 0.000 0.217 317 N C 1.124 176.813 175.510 0.299 0.000 1.223 317 N CA 0.301 53.566 53.050 0.359 0.000 0.896 317 N CB 0.663 39.316 38.487 0.276 0.000 1.064 317 N HN 0.055 nan 8.380 nan 0.000 0.518 318 S N 0.260 116.129 115.700 0.282 0.000 2.419 318 S HA -0.075 4.397 4.470 0.003 0.000 0.235 318 S C 1.887 176.566 174.600 0.131 0.000 1.019 318 S CA 1.257 59.611 58.200 0.257 0.000 0.982 318 S CB -0.157 63.175 63.200 0.220 0.000 0.789 318 S HN 0.497 nan 8.310 nan 0.000 0.490 319 G N 0.790 109.545 108.800 -0.075 0.000 2.777 319 G HA2 -0.040 3.922 3.960 0.003 0.000 0.211 319 G HA3 -0.040 3.922 3.960 0.003 0.000 0.211 319 G C 0.710 175.543 174.900 -0.112 0.000 1.149 319 G CA -0.169 44.705 45.100 -0.378 0.000 0.785 319 G HN 0.433 nan 8.290 nan 0.000 0.536 320 N N 0.662 119.461 118.700 0.165 0.000 2.994 320 N HA 0.207 4.949 4.740 0.003 0.000 0.306 320 N C 0.090 175.620 175.510 0.034 0.000 1.348 320 N CA -0.179 52.970 53.050 0.165 0.000 1.109 320 N CB -0.113 38.508 38.487 0.223 0.000 1.415 320 N HN 0.187 nan 8.380 nan 0.000 0.529 321 R N -0.624 119.905 120.500 0.048 0.000 2.747 321 R HA 0.299 4.641 4.340 0.003 0.000 0.272 321 R C -1.670 174.757 176.300 0.212 0.000 1.032 321 R CA -0.785 55.295 56.100 -0.034 0.000 0.896 321 R CB 1.198 31.152 30.300 -0.576 0.000 1.253 321 R HN 0.195 nan 8.270 nan 0.000 0.461 322 W N 2.466 123.693 121.300 -0.122 0.000 2.538 322 W HA 0.272 4.934 4.660 0.003 0.000 0.291 322 W C -0.957 175.497 176.519 -0.107 0.000 1.020 322 W CA -0.703 56.632 57.345 -0.017 0.000 1.375 322 W CB 0.431 29.950 29.460 0.097 0.000 1.247 322 W HN 0.657 nan 8.180 nan 0.000 0.377 323 F N 1.613 121.492 119.950 -0.118 0.000 2.664 323 F HA -0.143 4.386 4.527 0.003 0.000 0.297 323 F C 1.760 177.543 175.800 -0.030 0.000 1.164 323 F CA 1.050 59.007 58.000 -0.072 0.000 1.472 323 F CB -0.112 38.801 39.000 -0.144 0.000 1.108 323 F HN 0.036 nan 8.300 nan 0.000 0.596 324 D N -0.131 120.327 120.400 0.097 0.000 2.289 324 D HA -0.050 4.591 4.640 0.003 0.000 0.207 324 D C 1.045 177.531 176.300 0.310 0.000 0.966 324 D CA 0.594 54.724 54.000 0.217 0.000 0.868 324 D CB -0.074 40.901 40.800 0.292 0.000 0.943 324 D HN -0.011 nan 8.370 nan 0.000 0.514 325 K N 0.971 121.619 120.400 0.413 0.000 2.447 325 K HA 0.029 4.351 4.320 0.003 0.000 0.281 325 K C 1.076 177.808 176.600 0.220 0.000 1.031 325 K CA 0.261 56.748 56.287 0.333 0.000 1.019 325 K CB 0.556 33.261 32.500 0.342 0.000 0.918 325 K HN -0.209 nan 8.250 nan 0.000 0.476 326 T N 3.548 118.217 114.554 0.193 0.000 2.635 326 T HA -0.119 4.233 4.350 0.003 0.000 0.267 326 T C 0.407 175.186 174.700 0.131 0.000 1.040 326 T CA 1.220 63.412 62.100 0.154 0.000 1.156 326 T CB -0.097 68.849 68.868 0.130 0.000 0.863 326 T HN 0.410 nan 8.240 nan 0.000 0.430 327 L N 1.514 122.810 121.223 0.122 0.000 2.319 327 L HA 0.447 4.789 4.340 0.003 0.000 0.281 327 L C -0.459 176.430 176.870 0.031 0.000 1.005 327 L CA -0.482 54.362 54.840 0.007 0.000 0.828 327 L CB 1.749 43.817 42.059 0.016 0.000 1.227 327 L HN 0.101 nan 8.230 nan 0.000 0.415 328 Q N 3.548 123.275 119.800 -0.121 0.000 2.327 328 Q HA 0.485 4.826 4.340 0.003 0.000 0.270 328 Q C -1.474 174.419 176.000 -0.177 0.000 1.022 328 Q CA -0.524 55.272 55.803 -0.012 0.000 0.773 328 Q CB 2.530 31.277 28.738 0.015 0.000 1.251 328 Q HN 0.380 nan 8.270 nan 0.000 0.457 329 F N 2.767 122.803 119.950 0.142 0.000 2.420 329 F HA 0.485 5.014 4.527 0.003 0.000 0.342 329 F C 0.165 176.048 175.800 0.140 0.000 1.113 329 F CA -0.586 57.480 58.000 0.110 0.000 1.059 329 F CB 0.930 39.971 39.000 0.070 0.000 1.128 329 F HN 0.312 nan 8.300 nan 0.000 0.475 330 I N 3.797 124.538 120.570 0.285 0.000 2.404 330 I HA 0.456 4.628 4.170 0.003 0.000 0.293 330 I C -0.980 175.318 176.117 0.303 0.000 0.992 330 I CA -0.891 60.560 61.300 0.251 0.000 1.149 330 I CB 1.794 39.907 38.000 0.188 0.000 1.315 330 I HN 0.178 nan 8.210 nan 0.000 0.446 331 V N 5.979 126.074 119.914 0.301 0.000 2.357 331 V HA 0.507 4.629 4.120 0.003 0.000 0.281 331 V C 0.500 176.800 176.094 0.343 0.000 1.015 331 V CA -0.601 61.919 62.300 0.366 0.000 0.827 331 V CB 1.197 33.227 31.823 0.345 0.000 1.018 331 V HN 0.869 nan 8.190 nan 0.000 0.432 332 A N 3.623 126.659 122.820 0.361 0.000 2.327 332 A HA 0.507 4.829 4.320 0.003 0.000 0.255 332 A C 1.093 178.947 177.584 0.451 0.000 1.099 332 A CA 0.271 52.510 52.037 0.337 0.000 0.801 332 A CB 0.403 19.559 19.000 0.261 0.000 1.062 332 A HN 1.051 nan 8.150 nan 0.000 0.496 333 E N -0.390 120.042 120.200 0.388 0.000 2.474 333 E HA -0.041 4.311 4.350 0.003 0.000 0.194 333 E C 0.431 177.281 176.600 0.416 0.000 1.041 333 E CA 0.947 57.610 56.400 0.437 0.000 0.874 333 E CB 0.111 30.020 29.700 0.348 0.000 0.914 333 E HN 0.624 nan 8.360 nan 0.000 0.498 334 D N -0.084 120.471 120.400 0.259 0.000 2.340 334 D HA 0.150 4.792 4.640 0.003 0.000 0.217 334 D C 1.318 177.540 176.300 -0.131 0.000 1.081 334 D CA 0.428 54.483 54.000 0.093 0.000 0.842 334 D CB 0.274 41.145 40.800 0.119 0.000 0.934 334 D HN 0.300 nan 8.370 nan 0.000 0.511 335 G N -0.222 108.386 108.800 -0.319 0.000 2.259 335 G HA2 -0.236 3.726 3.960 0.003 0.000 0.217 335 G HA3 -0.236 3.726 3.960 0.003 0.000 0.217 335 G C 0.370 175.103 174.900 -0.278 0.000 1.001 335 G CA 0.080 44.659 45.100 -0.869 0.000 0.627 335 G HN 0.379 nan 8.290 nan 0.000 0.501 336 S N 0.697 116.400 115.700 0.005 0.000 2.572 336 S HA 0.545 5.017 4.470 0.003 0.000 0.279 336 S C 0.571 175.275 174.600 0.173 0.000 1.341 336 S CA 0.516 58.767 58.200 0.085 0.000 1.043 336 S CB 1.032 64.294 63.200 0.104 0.000 0.887 336 S HN 1.667 nan 8.310 nan 0.000 0.516 337 C N 0.500 119.901 119.300 0.169 0.000 3.239 337 C HA 1.044 5.506 4.460 0.003 0.000 0.317 337 C C 0.247 175.372 174.990 0.225 0.000 1.310 337 C CA -0.041 59.134 59.018 0.261 0.000 1.371 337 C CB 0.898 28.873 27.740 0.392 0.000 1.714 337 C HN 1.021 nan 8.230 nan 0.000 0.473 338 G N 0.867 109.812 108.800 0.243 0.000 2.393 338 G HA2 0.816 4.778 3.960 0.003 0.000 0.264 338 G HA3 0.816 4.778 3.960 0.003 0.000 0.264 338 G C -1.303 173.685 174.900 0.147 0.000 1.221 338 G CA -0.086 45.127 45.100 0.187 0.000 0.912 338 G HN 2.033 nan 8.290 nan 0.000 0.483 339 M N -1.866 117.766 119.600 0.054 0.000 3.012 339 M HA 0.791 5.273 4.480 0.003 0.000 0.272 339 M C -2.136 174.133 176.300 -0.053 0.000 1.187 339 M CA -0.993 54.275 55.300 -0.053 0.000 0.813 339 M CB 1.848 34.284 32.600 -0.274 0.000 1.626 339 M HN 1.466 nan 8.290 nan 0.000 0.507 340 V N 2.040 121.917 119.914 -0.061 0.000 2.851 340 V HA 0.814 4.936 4.120 0.003 0.000 0.307 340 V C -2.183 173.912 176.094 0.002 0.000 1.129 340 V CA -0.216 62.069 62.300 -0.026 0.000 0.932 340 V CB 2.389 34.258 31.823 0.076 0.000 1.024 340 V HN 1.000 nan 8.190 nan 0.000 0.426 341 Y N 3.102 123.331 120.300 -0.118 0.000 2.499 341 Y HA 0.755 5.306 4.550 0.003 0.000 0.347 341 Y C -0.390 175.470 175.900 -0.066 0.000 0.987 341 Y CA -1.084 56.944 58.100 -0.119 0.000 1.044 341 Y CB 1.577 39.918 38.460 -0.198 0.000 1.245 341 Y HN 0.602 nan 8.280 nan 0.000 0.461 342 E N 2.797 123.047 120.200 0.083 0.000 2.217 342 E HA -0.004 4.348 4.350 0.003 0.000 0.279 342 E C 0.397 177.018 176.600 0.035 0.000 1.068 342 E CA 0.331 56.749 56.400 0.030 0.000 0.882 342 E CB 0.238 29.996 29.700 0.097 0.000 1.039 342 E HN 0.932 nan 8.360 nan 0.000 0.418 343 H N 3.990 122.919 119.070 -0.235 0.000 2.489 343 H HA -0.077 4.480 4.556 0.003 0.000 0.293 343 H C 1.466 176.403 175.328 -0.651 0.000 1.066 343 H CA 1.412 57.253 56.048 -0.345 0.000 1.305 343 H CB 0.276 29.798 29.762 -0.399 0.000 1.386 343 H HN 0.595 nan 8.280 nan 0.000 0.551 344 A N 0.455 122.991 122.820 -0.475 0.000 1.978 344 A HA -0.130 4.192 4.320 0.003 0.000 0.220 344 A C 2.702 180.186 177.584 -0.166 0.000 1.170 344 A CA 1.660 53.408 52.037 -0.481 0.000 0.636 344 A CB -0.788 18.120 19.000 -0.154 0.000 0.810 344 A HN 0.485 nan 8.150 nan 0.000 0.448 345 A N -1.344 121.448 122.820 -0.046 0.000 1.897 345 A HA 0.492 4.813 4.320 0.003 0.000 0.215 345 A C 1.239 178.825 177.584 0.003 0.000 1.181 345 A CA 1.875 53.915 52.037 0.004 0.000 0.620 345 A CB -0.435 18.581 19.000 0.026 0.000 0.821 345 A HN 1.690 nan 8.150 nan 0.000 0.443 346 A N -1.910 120.931 122.820 0.036 0.000 2.467 346 A HA 0.616 4.938 4.320 0.003 0.000 0.301 346 A C -1.262 176.377 177.584 0.093 0.000 1.126 346 A CA -0.584 51.452 52.037 -0.003 0.000 0.632 346 A CB 0.197 19.090 19.000 -0.179 0.000 1.331 346 A HN 0.078 nan 8.150 nan 0.000 0.482 347 E N -0.825 119.384 120.200 0.015 0.000 2.284 347 E HA 0.563 4.915 4.350 0.003 0.000 0.255 347 E C 1.442 177.966 176.600 -0.126 0.000 1.052 347 E CA 0.428 56.877 56.400 0.080 0.000 0.904 347 E CB 0.721 30.478 29.700 0.095 0.000 1.217 347 E HN 0.778 nan 8.360 nan 0.000 0.438 348 G N 0.578 109.351 108.800 -0.046 0.000 2.421 348 G HA2 -0.160 3.802 3.960 0.003 0.000 0.216 348 G HA3 -0.160 3.802 3.960 0.003 0.000 0.216 348 G C -1.098 173.709 174.900 -0.155 0.000 1.171 348 G CA 0.649 45.682 45.100 -0.113 0.000 0.775 348 G HN 0.414 nan 8.290 nan 0.000 0.543 349 P HA -0.133 nan 4.420 nan 0.000 0.216 349 P C -1.273 175.960 177.300 -0.112 0.000 1.167 349 P CA 2.189 65.243 63.100 -0.076 0.000 0.914 349 P CB -0.782 30.893 31.700 -0.041 0.000 0.793 350 P HA -0.137 nan 4.420 nan 0.000 0.215 350 P C 1.524 178.657 177.300 -0.279 0.000 1.153 350 P CA 1.229 64.056 63.100 -0.454 0.000 0.853 350 P CB -0.544 30.650 31.700 -0.843 0.000 0.788 351 I N -0.477 119.874 120.570 -0.365 0.000 2.127 351 I HA -0.172 4.000 4.170 0.003 0.000 0.241 351 I C 2.358 178.331 176.117 -0.240 0.000 1.075 351 I CA 1.831 62.896 61.300 -0.391 0.000 1.334 351 I CB -1.741 35.884 38.000 -0.626 0.000 1.040 351 I HN -0.058 nan 8.210 nan 0.000 0.405 352 V N 0.015 119.830 119.914 -0.165 0.000 2.515 352 V HA -0.097 4.025 4.120 0.003 0.000 0.250 352 V C 2.720 178.782 176.094 -0.054 0.000 1.058 352 V CA 1.404 63.653 62.300 -0.086 0.000 1.064 352 V CB -1.625 30.170 31.823 -0.047 0.000 0.675 352 V HN 0.290 nan 8.190 nan 0.000 0.461 353 A N 0.835 123.645 122.820 -0.016 0.000 1.908 353 A HA -0.143 4.178 4.320 0.003 0.000 0.218 353 A C 2.304 179.812 177.584 -0.127 0.000 1.181 353 A CA 2.230 54.304 52.037 0.063 0.000 0.627 353 A CB -0.649 18.519 19.000 0.280 0.000 0.818 353 A HN 0.643 nan 8.150 nan 0.000 0.445 354 L N -0.447 120.540 121.223 -0.394 0.000 2.056 354 L HA -0.115 4.227 4.340 0.003 0.000 0.207 354 L C 2.359 178.999 176.870 -0.385 0.000 1.078 354 L CA 1.426 55.713 54.840 -0.922 0.000 0.749 354 L CB -0.211 41.384 42.059 -0.774 0.000 0.901 354 L HN 0.196 nan 8.230 nan 0.000 0.433 355 V N 0.338 120.152 119.914 -0.167 0.000 2.295 355 V HA -0.302 3.820 4.120 0.003 0.000 0.246 355 V C 2.188 178.289 176.094 0.011 0.000 1.049 355 V CA 2.143 64.426 62.300 -0.028 0.000 1.024 355 V CB -0.678 31.147 31.823 0.003 0.000 0.648 355 V HN 0.509 nan 8.190 nan 0.000 0.447 356 D N -1.234 119.177 120.400 0.019 0.000 2.149 356 D HA -0.196 4.446 4.640 0.003 0.000 0.198 356 D C 2.054 178.409 176.300 0.091 0.000 0.990 356 D CA 1.497 55.533 54.000 0.061 0.000 0.839 356 D CB -0.359 40.484 40.800 0.071 0.000 0.948 356 D HN 0.560 nan 8.370 nan 0.000 0.460 357 H N 0.622 119.696 119.070 0.008 0.000 2.307 357 H HA -0.042 4.516 4.556 0.003 0.000 0.303 357 H C 2.085 177.459 175.328 0.078 0.000 1.073 357 H CA 1.142 57.239 56.048 0.081 0.000 1.338 357 H CB -0.085 29.785 29.762 0.179 0.000 1.389 357 H HN -0.061 nan 8.280 nan 0.000 0.503 358 V N 1.617 121.584 119.914 0.088 0.000 2.255 358 V HA -0.302 3.820 4.120 0.003 0.000 0.247 358 V C 2.947 179.065 176.094 0.041 0.000 1.051 358 V CA 1.815 64.116 62.300 0.002 0.000 1.018 358 V CB -0.577 31.176 31.823 -0.116 0.000 0.641 358 V HN 0.364 nan 8.190 nan 0.000 0.445 359 M N -0.293 119.346 119.600 0.066 0.000 2.080 359 M HA -0.205 4.277 4.480 0.003 0.000 0.260 359 M C 2.218 178.577 176.300 0.097 0.000 1.068 359 M CA 1.819 57.189 55.300 0.117 0.000 1.109 359 M CB -1.346 31.325 32.600 0.117 0.000 1.342 359 M HN 0.523 nan 8.290 nan 0.000 0.405 360 E N -0.959 119.272 120.200 0.051 0.000 2.204 360 E HA -0.235 4.117 4.350 0.003 0.000 0.195 360 E C 1.946 178.545 176.600 -0.002 0.000 0.990 360 E CA 0.888 57.298 56.400 0.017 0.000 0.821 360 E CB -0.084 29.612 29.700 -0.007 0.000 0.750 360 E HN 0.508 nan 8.360 nan 0.000 0.477 361 Y N 0.917 121.136 120.300 -0.135 0.000 2.286 361 Y HA -0.123 4.429 4.550 0.003 0.000 0.293 361 Y C 2.433 178.298 175.900 -0.057 0.000 1.124 361 Y CA 1.905 59.923 58.100 -0.137 0.000 1.178 361 Y CB -0.326 38.019 38.460 -0.193 0.000 1.010 361 Y HN 0.134 nan 8.280 nan 0.000 0.536 362 T N -2.485 112.185 114.554 0.193 0.000 3.098 362 T HA -0.099 4.253 4.350 0.003 0.000 0.266 362 T C 1.371 176.130 174.700 0.099 0.000 1.145 362 T CA 1.213 63.417 62.100 0.174 0.000 1.092 362 T CB -0.283 68.745 68.868 0.266 0.000 0.908 362 T HN 0.328 nan 8.240 nan 0.000 0.526 363 K N 0.382 120.800 120.400 0.031 0.000 2.367 363 K HA 0.202 4.524 4.320 0.003 0.000 0.194 363 K C 0.370 176.930 176.600 -0.066 0.000 1.027 363 K CA -0.108 56.180 56.287 0.001 0.000 1.075 363 K CB 0.380 32.886 32.500 0.010 0.000 0.845 363 K HN 0.313 nan 8.250 nan 0.000 0.529 364 K N 2.586 122.892 120.400 -0.157 0.000 2.416 364 K HA 0.088 4.410 4.320 0.003 0.000 0.283 364 K C -2.386 174.122 176.600 -0.154 0.000 1.037 364 K CA -1.346 54.812 56.287 -0.216 0.000 0.995 364 K CB 0.215 32.451 32.500 -0.440 0.000 0.938 364 K HN -0.113 nan 8.250 nan 0.000 0.475 365 P HA -0.072 nan 4.420 nan 0.000 0.271 365 P C -0.437 176.814 177.300 -0.081 0.000 1.233 365 P CA 0.094 63.149 63.100 -0.076 0.000 0.795 365 P CB 0.547 32.211 31.700 -0.060 0.000 0.936 366 E N -0.309 119.856 120.200 -0.059 0.000 2.280 366 E HA 0.506 4.858 4.350 0.003 0.000 0.261 366 E C 0.085 176.659 176.600 -0.043 0.000 1.088 366 E CA -0.583 55.786 56.400 -0.052 0.000 0.915 366 E CB 0.691 30.364 29.700 -0.046 0.000 1.141 366 E HN 0.266 nan 8.360 nan 0.000 0.433 367 L N -0.706 120.497 121.223 -0.034 0.000 3.189 367 L HA 0.247 4.589 4.340 0.003 0.000 0.223 367 L C -0.443 176.416 176.870 -0.019 0.000 1.955 367 L CA -0.908 53.917 54.840 -0.026 0.000 2.201 367 L CB 0.148 42.194 42.059 -0.023 0.000 2.141 367 L HN 0.314 nan 8.230 nan 0.000 0.585 368 V N 0.803 120.710 119.914 -0.012 0.000 2.416 368 V HA 0.141 4.263 4.120 0.003 0.000 0.260 368 V C 0.339 176.430 176.094 -0.006 0.000 1.018 368 V CA -0.149 62.147 62.300 -0.008 0.000 1.120 368 V CB -0.693 31.128 31.823 -0.003 0.000 1.081 368 V HN 0.500 nan 8.190 nan 0.000 0.474 369 R N 3.520 124.014 120.500 -0.011 0.000 4.031 369 R HA 0.207 4.549 4.340 0.003 0.000 0.269 369 R C 0.952 177.249 176.300 -0.005 0.000 1.668 369 R CA 0.319 56.412 56.100 -0.011 0.000 1.432 369 R CB -0.344 29.943 30.300 -0.022 0.000 1.374 369 R HN 0.967 nan 8.270 nan 0.000 0.681 370 S N 1.240 116.940 115.700 -0.000 0.000 2.569 370 S HA 0.204 4.676 4.470 0.003 0.000 0.274 370 S C -1.491 173.113 174.600 0.005 0.000 1.353 370 S CA -0.988 57.212 58.200 0.001 0.000 1.023 370 S CB 0.158 63.359 63.200 0.001 0.000 0.876 370 S HN 0.231 nan 8.310 nan 0.000 0.540 371 P HA 0.280 nan 4.420 nan 0.000 0.271 371 P C -0.940 176.367 177.300 0.012 0.000 1.218 371 P CA -0.383 62.722 63.100 0.009 0.000 0.780 371 P CB 0.396 32.100 31.700 0.006 0.000 0.901 372 M N 2.146 121.758 119.600 0.021 0.000 2.456 372 M HA 0.480 4.962 4.480 0.003 0.000 0.324 372 M C -0.119 176.195 176.300 0.023 0.000 1.124 372 M CA -1.291 54.024 55.300 0.025 0.000 0.959 372 M CB 1.025 33.653 32.600 0.047 0.000 1.692 372 M HN 0.125 nan 8.290 nan 0.000 0.444 373 V N -0.065 119.858 119.914 0.016 0.000 3.096 373 V HA 0.534 4.656 4.120 0.003 0.000 0.306 373 V C -2.232 173.879 176.094 0.028 0.000 1.088 373 V CA -1.285 61.024 62.300 0.015 0.000 1.129 373 V CB -0.841 30.984 31.823 0.003 0.000 1.014 373 V HN 0.848 nan 8.190 nan 0.000 0.486 374 P HA 0.231 nan 4.420 nan 0.000 0.267 374 P C -0.699 176.622 177.300 0.035 0.000 1.195 374 P CA 0.347 63.462 63.100 0.025 0.000 0.773 374 P CB 0.202 31.912 31.700 0.017 0.000 0.837 375 L N 2.942 124.183 121.223 0.031 0.000 2.333 375 L HA 0.570 4.912 4.340 0.003 0.000 0.263 375 L C -2.038 174.845 176.870 0.021 0.000 1.014 375 L CA -2.213 52.649 54.840 0.036 0.000 0.820 375 L CB 1.849 43.929 42.059 0.034 0.000 1.352 375 L HN 0.317 nan 8.230 nan 0.000 0.421 376 P HA 0.115 nan 4.420 nan 0.000 0.272 376 P C -0.889 176.417 177.300 0.009 0.000 1.230 376 P CA -0.590 62.518 63.100 0.014 0.000 0.788 376 P CB 0.809 32.518 31.700 0.015 0.000 0.949 377 M N 2.871 122.479 119.600 0.012 0.000 2.146 377 M HA 0.323 4.804 4.480 0.003 0.000 0.352 377 M C -2.353 173.968 176.300 0.035 0.000 1.343 377 M CA -2.279 53.032 55.300 0.019 0.000 1.115 377 M CB -0.436 32.180 32.600 0.027 0.000 1.657 377 M HN 0.100 nan 8.290 nan 0.000 0.471 378 P HA 0.001 nan 4.420 nan 0.000 0.262 378 P C -1.291 176.098 177.300 0.149 0.000 1.182 378 P CA 0.101 63.253 63.100 0.087 0.000 0.761 378 P CB 0.269 32.020 31.700 0.085 0.000 0.795 379 K N 3.457 123.906 120.400 0.082 0.000 2.412 379 K HA 0.041 4.363 4.320 0.003 0.000 0.281 379 K C 0.121 176.729 176.600 0.014 0.000 1.027 379 K CA -0.270 56.033 56.287 0.027 0.000 0.989 379 K CB 0.315 32.782 32.500 -0.055 0.000 0.935 379 K HN 0.267 nan 8.250 nan 0.000 0.475 380 K N 6.024 126.375 120.400 -0.082 0.000 2.285 380 K HA 0.129 4.451 4.320 0.003 0.000 0.286 380 K C -0.501 175.889 176.600 -0.349 0.000 1.072 380 K CA -0.401 55.642 56.287 -0.407 0.000 0.913 380 K CB 0.454 32.740 32.500 -0.357 0.000 1.067 380 K HN 0.590 nan 8.250 nan 0.000 0.479 381 L N 5.869 126.857 121.223 -0.391 0.000 2.404 381 L HA 0.192 4.534 4.340 0.003 0.000 0.277 381 L C 0.350 176.967 176.870 -0.422 0.000 1.184 381 L CA -0.491 54.130 54.840 -0.365 0.000 1.013 381 L CB -0.228 41.642 42.059 -0.315 0.000 1.318 381 L HN 0.509 nan 8.230 nan 0.000 0.435 382 R N 1.800 122.087 120.500 -0.355 0.000 2.784 382 R HA 0.348 4.690 4.340 0.003 0.000 0.266 382 R C -0.919 175.142 176.300 -0.398 0.000 1.044 382 R CA 0.534 56.483 56.100 -0.251 0.000 1.151 382 R CB 0.363 30.571 30.300 -0.153 0.000 1.037 382 R HN 0.168 nan 8.270 nan 0.000 0.478 383 F N 0.771 120.718 119.950 -0.006 0.000 2.612 383 F HA 0.299 4.828 4.527 0.003 0.000 0.332 383 F C -0.388 175.425 175.800 0.022 0.000 1.167 383 F CA -0.902 57.110 58.000 0.021 0.000 0.970 383 F CB 1.361 40.401 39.000 0.068 0.000 1.234 383 F HN 0.312 nan 8.300 nan 0.000 0.453 384 N N 5.044 123.861 118.700 0.196 0.000 2.401 384 N HA 0.227 4.969 4.740 0.003 0.000 0.255 384 N C -0.383 175.206 175.510 0.132 0.000 1.110 384 N CA -0.064 53.058 53.050 0.120 0.000 0.949 384 N CB 1.032 39.559 38.487 0.066 0.000 1.110 384 N HN 0.308 nan 8.380 nan 0.000 0.490 385 I N 1.696 122.331 120.570 0.108 0.000 2.472 385 I HA 0.204 4.376 4.170 0.003 0.000 0.290 385 I C 1.317 177.468 176.117 0.056 0.000 1.016 385 I CA -0.278 61.071 61.300 0.082 0.000 1.348 385 I CB 0.833 38.874 38.000 0.069 0.000 1.417 385 I HN 0.390 nan 8.210 nan 0.000 0.521 386 T N 2.543 117.125 114.554 0.047 0.000 2.907 386 T HA 0.498 4.850 4.350 0.003 0.000 0.290 386 T C -2.251 172.466 174.700 0.028 0.000 1.066 386 T CA -1.809 60.311 62.100 0.035 0.000 1.012 386 T CB 2.074 70.962 68.868 0.032 0.000 1.184 386 T HN 0.203 nan 8.240 nan 0.000 0.522 387 P HA -0.052 nan 4.420 nan 0.000 0.216 387 P C 1.339 178.649 177.300 0.017 0.000 1.150 387 P CA 0.986 64.097 63.100 0.017 0.000 0.837 387 P CB 0.182 31.890 31.700 0.014 0.000 0.786 388 E N -0.493 119.719 120.200 0.020 0.000 2.072 388 E HA -0.136 4.216 4.350 0.003 0.000 0.191 388 E C 1.918 178.535 176.600 0.029 0.000 0.985 388 E CA 0.859 57.272 56.400 0.022 0.000 0.801 388 E CB -0.407 29.306 29.700 0.022 0.000 0.750 388 E HN 0.136 nan 8.360 nan 0.000 0.452 389 I N 0.861 121.451 120.570 0.034 0.000 2.179 389 I HA -0.257 3.915 4.170 0.003 0.000 0.242 389 I C 2.559 178.690 176.117 0.024 0.000 1.088 389 I CA 1.072 62.396 61.300 0.040 0.000 1.357 389 I CB -0.286 37.743 38.000 0.048 0.000 1.051 389 I HN 0.048 nan 8.210 nan 0.000 0.409 390 K N 1.708 122.119 120.400 0.019 0.000 2.074 390 K HA -0.273 4.048 4.320 0.003 0.000 0.209 390 K C 1.766 178.368 176.600 0.003 0.000 1.048 390 K CA 2.086 58.378 56.287 0.009 0.000 0.926 390 K CB -0.492 32.015 32.500 0.012 0.000 0.713 390 K HN 0.204 nan 8.250 nan 0.000 0.444 391 N N 0.432 119.137 118.700 0.008 0.000 2.120 391 N HA -0.136 4.606 4.740 0.003 0.000 0.188 391 N C 1.133 176.646 175.510 0.005 0.000 1.024 391 N CA 1.800 54.853 53.050 0.005 0.000 0.852 391 N CB -0.214 38.278 38.487 0.009 0.000 1.003 391 N HN 0.253 nan 8.380 nan 0.000 0.424 392 D N 0.139 120.549 120.400 0.017 0.000 2.117 392 D HA -0.112 4.530 4.640 0.003 0.000 0.197 392 D C 1.993 178.291 176.300 -0.004 0.000 0.987 392 D CA 0.854 54.869 54.000 0.026 0.000 0.829 392 D CB -0.213 40.626 40.800 0.064 0.000 0.961 392 D HN 0.422 nan 8.370 nan 0.000 0.460 393 I N 1.284 121.842 120.570 -0.019 0.000 2.226 393 I HA -0.222 3.950 4.170 0.003 0.000 0.245 393 I C 2.342 178.426 176.117 -0.055 0.000 1.100 393 I CA 1.005 62.272 61.300 -0.055 0.000 1.374 393 I CB -0.164 37.803 38.000 -0.056 0.000 1.057 393 I HN -0.093 nan 8.210 nan 0.000 0.413 394 E N 1.058 121.237 120.200 -0.035 0.000 2.077 394 E HA -0.177 4.175 4.350 0.003 0.000 0.193 394 E C 2.129 178.710 176.600 -0.033 0.000 0.989 394 E CA 0.993 57.374 56.400 -0.033 0.000 0.800 394 E CB -0.219 29.469 29.700 -0.020 0.000 0.746 394 E HN 0.426 nan 8.360 nan 0.000 0.452 395 K N 0.617 121.002 120.400 -0.025 0.000 2.097 395 K HA -0.022 4.300 4.320 0.003 0.000 0.206 395 K C 2.067 178.646 176.600 -0.036 0.000 1.049 395 K CA 1.002 57.275 56.287 -0.023 0.000 0.933 395 K CB -0.332 32.162 32.500 -0.010 0.000 0.717 395 K HN 0.072 nan 8.250 nan 0.000 0.442 396 A N 2.004 124.794 122.820 -0.051 0.000 1.930 396 A HA -0.163 4.159 4.320 0.003 0.000 0.217 396 A C 2.108 179.642 177.584 -0.082 0.000 1.175 396 A CA 1.431 53.419 52.037 -0.081 0.000 0.627 396 A CB -0.272 18.652 19.000 -0.126 0.000 0.815 396 A HN 0.258 nan 8.150 nan 0.000 0.443 397 K N -0.457 119.899 120.400 -0.073 0.000 2.032 397 K HA -0.210 4.112 4.320 0.003 0.000 0.209 397 K C 2.338 178.908 176.600 -0.050 0.000 1.048 397 K CA 1.842 58.090 56.287 -0.065 0.000 0.927 397 K CB -0.256 32.209 32.500 -0.059 0.000 0.712 397 K HN 0.601 nan 8.250 nan 0.000 0.441 398 Q N 0.585 120.360 119.800 -0.042 0.000 2.061 398 Q HA -0.210 4.132 4.340 0.003 0.000 0.204 398 Q C 2.018 177.996 176.000 -0.037 0.000 0.984 398 Q CA 1.817 57.600 55.803 -0.034 0.000 0.846 398 Q CB -0.241 28.480 28.738 -0.028 0.000 0.902 398 Q HN 0.294 nan 8.270 nan 0.000 0.421 399 N N 0.413 119.088 118.700 -0.041 0.000 2.043 399 N HA -0.202 4.540 4.740 0.003 0.000 0.193 399 N C 1.557 177.039 175.510 -0.047 0.000 1.037 399 N CA 0.956 53.983 53.050 -0.038 0.000 0.851 399 N CB -0.228 38.237 38.487 -0.037 0.000 1.027 399 N HN 0.152 nan 8.380 nan 0.000 0.422 400 L N 0.356 121.537 121.223 -0.070 0.000 2.083 400 L HA -0.031 4.311 4.340 0.003 0.000 0.209 400 L C 2.085 178.899 176.870 -0.093 0.000 1.083 400 L CA 1.523 56.305 54.840 -0.097 0.000 0.752 400 L CB -0.934 41.061 42.059 -0.106 0.000 0.899 400 L HN 0.154 nan 8.230 nan 0.000 0.433 401 S N -0.382 115.282 115.700 -0.060 0.000 2.368 401 S HA -0.143 4.329 4.470 0.003 0.000 0.225 401 S C 1.956 176.528 174.600 -0.046 0.000 1.030 401 S CA 1.743 59.917 58.200 -0.044 0.000 0.999 401 S CB -0.395 62.793 63.200 -0.021 0.000 0.844 401 S HN 0.484 nan 8.310 nan 0.000 0.459 402 I N 1.199 121.747 120.570 -0.035 0.000 2.179 402 I HA -0.243 3.929 4.170 0.003 0.000 0.242 402 I C 2.422 178.529 176.117 -0.015 0.000 1.088 402 I CA 1.268 62.556 61.300 -0.021 0.000 1.357 402 I CB -0.393 37.597 38.000 -0.017 0.000 1.051 402 I HN 0.289 nan 8.210 nan 0.000 0.409 403 M N 0.342 119.929 119.600 -0.022 0.000 2.065 403 M HA -0.232 4.250 4.480 0.003 0.000 0.259 403 M C 2.383 178.633 176.300 -0.084 0.000 1.069 403 M CA 2.107 57.404 55.300 -0.005 0.000 1.110 403 M CB -0.441 32.132 32.600 -0.044 0.000 1.328 403 M HN 0.146 nan 8.290 nan 0.000 0.405 404 I N -0.138 120.312 120.570 -0.200 0.000 2.127 404 I HA -0.342 3.830 4.170 0.003 0.000 0.241 404 I C 2.511 178.538 176.117 -0.150 0.000 1.075 404 I CA 1.580 62.687 61.300 -0.322 0.000 1.334 404 I CB -0.603 37.155 38.000 -0.404 0.000 1.040 404 I HN 0.401 nan 8.210 nan 0.000 0.405 405 Q N -0.079 119.672 119.800 -0.081 0.000 2.234 405 Q HA -0.280 4.062 4.340 0.003 0.000 0.206 405 Q C 1.437 177.436 176.000 -0.002 0.000 0.980 405 Q CA 1.731 57.515 55.803 -0.032 0.000 0.869 405 Q CB -0.221 28.509 28.738 -0.013 0.000 0.912 405 Q HN 0.454 nan 8.270 nan 0.000 0.436 406 D N -0.413 120.002 120.400 0.025 0.000 2.355 406 D HA -0.025 4.617 4.640 0.003 0.000 0.218 406 D C -0.361 176.028 176.300 0.148 0.000 1.004 406 D CA -0.029 54.026 54.000 0.091 0.000 0.880 406 D CB 0.288 41.155 40.800 0.112 0.000 0.911 406 D HN -0.031 nan 8.370 nan 0.000 0.528 407 L N 1.031 122.298 121.223 0.073 0.000 2.290 407 L HA 0.316 4.658 4.340 0.003 0.000 0.284 407 L C -0.876 175.972 176.870 -0.036 0.000 1.078 407 L CA -0.154 54.701 54.840 0.024 0.000 0.815 407 L CB 1.381 43.437 42.059 -0.005 0.000 1.162 407 L HN -0.172 nan 8.230 nan 0.000 0.435 408 D N 5.659 126.010 120.400 -0.081 0.000 2.461 408 D HA 0.371 5.013 4.640 0.003 0.000 0.240 408 D C -0.856 175.384 176.300 -0.100 0.000 1.094 408 D CA -0.099 53.855 54.000 -0.078 0.000 0.868 408 D CB 0.406 41.168 40.800 -0.062 0.000 1.062 408 D HN 0.440 nan 8.370 nan 0.000 0.530 409 I N 3.004 123.512 120.570 -0.103 0.000 2.441 409 I HA 0.427 4.599 4.170 0.003 0.000 0.295 409 I C -0.432 175.624 176.117 -0.102 0.000 0.994 409 I CA -1.055 60.171 61.300 -0.124 0.000 1.144 409 I CB 1.800 39.685 38.000 -0.191 0.000 1.314 409 I HN 0.316 nan 8.210 nan 0.000 0.445 410 M N 7.906 127.458 119.600 -0.081 0.000 2.165 410 M HA 0.471 4.953 4.480 0.003 0.000 0.283 410 M C -1.532 174.748 176.300 -0.032 0.000 0.978 410 M CA -0.455 54.813 55.300 -0.054 0.000 0.948 410 M CB 1.512 34.081 32.600 -0.051 0.000 1.599 410 M HN 0.303 nan 8.290 nan 0.000 0.450 411 M N 5.502 125.087 119.600 -0.025 0.000 2.209 411 M HA 0.539 5.021 4.480 0.003 0.000 0.355 411 M C -1.292 175.065 176.300 0.094 0.000 1.171 411 M CA -0.671 54.642 55.300 0.022 0.000 1.069 411 M CB 0.923 33.508 32.600 -0.025 0.000 1.622 411 M HN 0.803 nan 8.290 nan 0.000 0.459 412 L N 3.122 124.453 121.223 0.180 0.000 2.376 412 L HA 0.531 4.873 4.340 0.003 0.000 0.275 412 L C -0.712 176.357 176.870 0.331 0.000 0.987 412 L CA 0.178 55.162 54.840 0.240 0.000 0.828 412 L CB 1.939 44.143 42.059 0.241 0.000 1.249 412 L HN 0.672 nan 8.230 nan 0.000 0.409 413 T N 5.785 120.497 114.554 0.262 0.000 2.762 413 T HA 0.301 4.653 4.350 0.003 0.000 0.303 413 T C -0.491 174.399 174.700 0.316 0.000 0.977 413 T CA 0.214 62.473 62.100 0.265 0.000 0.961 413 T CB -0.235 68.716 68.868 0.138 0.000 0.944 413 T HN 0.380 nan 8.240 nan 0.000 0.481 414 F N 6.428 126.529 119.950 0.251 0.000 2.464 414 F HA 0.166 4.695 4.527 0.003 0.000 0.353 414 F C 1.793 177.632 175.800 0.065 0.000 1.191 414 F CA -0.747 57.359 58.000 0.177 0.000 1.147 414 F CB 0.195 39.339 39.000 0.241 0.000 1.294 414 F HN 0.686 nan 8.300 nan 0.000 0.583 415 H N 3.762 122.611 119.070 -0.368 0.000 2.544 415 H HA -0.024 4.534 4.556 0.003 0.000 0.269 415 H C 1.313 176.431 175.328 -0.351 0.000 0.970 415 H CA 0.903 56.773 56.048 -0.297 0.000 1.219 415 H CB -0.467 29.092 29.762 -0.337 0.000 1.421 415 H HN 0.636 nan 8.280 nan 0.000 0.555 416 H N 1.449 119.808 119.070 -1.185 0.000 2.353 416 H HA -0.064 4.494 4.556 0.003 0.000 0.298 416 H C 0.485 175.759 175.328 -0.090 0.000 1.103 416 H CA 1.886 57.471 56.048 -0.771 0.000 1.293 416 H CB -0.157 29.012 29.762 -0.988 0.000 1.372 416 H HN 0.479 nan 8.280 nan 0.000 0.501 417 F N -2.985 117.036 119.950 0.119 0.000 2.978 417 F HA 0.602 5.131 4.527 0.003 0.000 0.324 417 F C 0.017 176.021 175.800 0.341 0.000 1.157 417 F CA -0.590 57.550 58.000 0.233 0.000 0.879 417 F CB 0.885 40.008 39.000 0.205 0.000 1.364 417 F HN 0.033 nan 8.300 nan 0.000 0.465 418 G N 0.256 109.389 108.800 0.555 0.000 3.137 418 G HA2 0.326 4.288 3.960 0.003 0.000 0.196 418 G HA3 0.326 4.288 3.960 0.003 0.000 0.196 418 G C -0.398 174.686 174.900 0.308 0.000 1.135 418 G CA -0.710 44.584 45.100 0.325 0.000 0.803 418 G HN 0.654 nan 8.290 nan 0.000 0.619 419 K N 0.578 121.065 120.400 0.144 0.000 2.280 419 K HA -0.072 4.250 4.320 0.003 0.000 0.202 419 K C 2.053 178.681 176.600 0.046 0.000 1.047 419 K CA 1.575 57.909 56.287 0.079 0.000 0.942 419 K CB -0.034 32.493 32.500 0.044 0.000 0.739 419 K HN 0.530 nan 8.250 nan 0.000 0.457 420 D N 1.073 121.529 120.400 0.093 0.000 2.116 420 D HA -0.254 4.387 4.640 0.003 0.000 0.193 420 D C 1.761 178.058 176.300 -0.006 0.000 0.998 420 D CA 1.256 55.290 54.000 0.057 0.000 0.836 420 D CB -0.690 40.172 40.800 0.105 0.000 0.951 420 D HN 0.208 nan 8.370 nan 0.000 0.449 421 F N 2.051 121.909 119.950 -0.152 0.000 2.060 421 F HA 0.057 4.586 4.527 0.003 0.000 0.295 421 F C -0.901 174.671 175.800 -0.379 0.000 1.120 421 F CA 0.561 58.346 58.000 -0.358 0.000 1.205 421 F CB -1.330 37.190 39.000 -0.801 0.000 0.986 421 F HN -0.035 nan 8.300 nan 0.000 0.470 422 P HA -0.213 nan 4.420 nan 0.000 0.216 422 P C 1.342 178.379 177.300 -0.439 0.000 1.153 422 P CA 2.402 65.068 63.100 -0.723 0.000 0.858 422 P CB -0.146 31.272 31.700 -0.469 0.000 0.789 423 K N -0.260 119.976 120.400 -0.274 0.000 2.057 423 K HA -0.107 4.215 4.320 0.003 0.000 0.207 423 K C 2.285 178.764 176.600 -0.201 0.000 1.049 423 K CA 1.976 58.160 56.287 -0.173 0.000 0.931 423 K CB -0.635 31.809 32.500 -0.093 0.000 0.714 423 K HN 0.239 nan 8.250 nan 0.000 0.440 424 S N 1.092 116.638 115.700 -0.257 0.000 2.419 424 S HA -0.096 4.376 4.470 0.003 0.000 0.233 424 S C 1.495 175.932 174.600 -0.271 0.000 1.016 424 S CA 0.923 58.991 58.200 -0.220 0.000 0.974 424 S CB -0.032 63.055 63.200 -0.188 0.000 0.786 424 S HN 0.174 nan 8.310 nan 0.000 0.492 425 E N 0.881 120.824 120.200 -0.429 0.000 2.489 425 E HA 0.130 4.482 4.350 0.003 0.000 0.193 425 E C -0.136 176.346 176.600 -0.198 0.000 1.057 425 E CA 0.027 56.213 56.400 -0.356 0.000 0.866 425 E CB 0.003 29.372 29.700 -0.551 0.000 0.916 425 E HN 0.335 nan 8.360 nan 0.000 0.500 426 K N -0.189 120.111 120.400 -0.166 0.000 3.117 426 K HA -0.176 4.146 4.320 0.003 0.000 0.269 426 K C -0.391 176.165 176.600 -0.073 0.000 1.098 426 K CA 0.493 56.724 56.287 -0.095 0.000 0.785 426 K CB -2.256 30.206 32.500 -0.064 0.000 1.242 426 K HN 0.208 nan 8.250 nan 0.000 0.491 427 L N -0.144 121.021 121.223 -0.096 0.000 2.370 427 L HA 0.358 4.700 4.340 0.003 0.000 0.266 427 L C 0.697 177.562 176.870 -0.009 0.000 1.002 427 L CA -0.931 53.891 54.840 -0.031 0.000 0.818 427 L CB 2.028 44.092 42.059 0.007 0.000 1.325 427 L HN 0.094 nan 8.230 nan 0.000 0.418 428 S N 2.292 118.021 115.700 0.047 0.000 2.498 428 S HA 0.169 4.641 4.470 0.003 0.000 0.281 428 S C -1.705 172.959 174.600 0.107 0.000 1.265 428 S CA -0.927 57.315 58.200 0.070 0.000 1.071 428 S CB 0.901 64.162 63.200 0.102 0.000 0.894 428 S HN 0.364 nan 8.310 nan 0.000 0.491 429 P HA -0.096 nan 4.420 nan 0.000 0.215 429 P C 1.007 178.423 177.300 0.193 0.000 1.157 429 P CA 1.142 64.312 63.100 0.118 0.000 0.868 429 P CB 0.057 31.806 31.700 0.081 0.000 0.788 430 D N -0.797 119.709 120.400 0.177 0.000 2.104 430 D HA -0.167 4.475 4.640 0.003 0.000 0.194 430 D C 1.886 178.247 176.300 0.103 0.000 0.994 430 D CA 1.552 55.679 54.000 0.213 0.000 0.830 430 D CB -0.628 40.303 40.800 0.219 0.000 0.959 430 D HN -0.022 nan 8.370 nan 0.000 0.452 431 A N -0.681 122.183 122.820 0.074 0.000 1.930 431 A HA -0.087 4.235 4.320 0.003 0.000 0.217 431 A C 2.122 179.646 177.584 -0.100 0.000 1.175 431 A CA 0.990 52.944 52.037 -0.137 0.000 0.627 431 A CB -1.092 17.962 19.000 0.090 0.000 0.815 431 A HN 0.429 nan 8.150 nan 0.000 0.443 432 F N 0.717 120.624 119.950 -0.072 0.000 2.134 432 F HA -0.163 4.366 4.527 0.003 0.000 0.299 432 F C 1.946 177.722 175.800 -0.040 0.000 1.097 432 F CA 1.833 59.811 58.000 -0.036 0.000 1.264 432 F CB -0.162 38.862 39.000 0.041 0.000 1.001 432 F HN 0.185 nan 8.300 nan 0.000 0.479 433 I N -0.171 120.512 120.570 0.189 0.000 2.252 433 I HA -0.278 3.894 4.170 0.003 0.000 0.245 433 I C 2.391 178.432 176.117 -0.127 0.000 1.102 433 I CA 0.938 62.251 61.300 0.021 0.000 1.385 433 I CB -0.607 37.339 38.000 -0.090 0.000 1.064 433 I HN 0.192 nan 8.210 nan 0.000 0.414 434 Q N 0.322 120.027 119.800 -0.158 0.000 2.084 434 Q HA -0.129 4.212 4.340 0.003 0.000 0.202 434 Q C 2.522 178.420 176.000 -0.170 0.000 0.978 434 Q CA 1.348 57.038 55.803 -0.187 0.000 0.844 434 Q CB -0.438 28.042 28.738 -0.430 0.000 0.898 434 Q HN 0.396 nan 8.270 nan 0.000 0.426 435 V N 1.187 120.966 119.914 -0.225 0.000 2.427 435 V HA -0.233 3.888 4.120 0.003 0.000 0.248 435 V C 2.390 178.439 176.094 -0.076 0.000 1.051 435 V CA 1.598 63.811 62.300 -0.145 0.000 1.048 435 V CB -1.003 30.664 31.823 -0.260 0.000 0.666 435 V HN 0.310 nan 8.190 nan 0.000 0.456 436 A N -0.052 122.663 122.820 -0.175 0.000 1.908 436 A HA -0.224 4.098 4.320 0.003 0.000 0.218 436 A C 2.167 179.724 177.584 -0.045 0.000 1.181 436 A CA 2.157 54.122 52.037 -0.121 0.000 0.627 436 A CB -0.613 18.280 19.000 -0.177 0.000 0.818 436 A HN 0.455 nan 8.150 nan 0.000 0.445 437 L N -0.534 120.647 121.223 -0.070 0.000 2.083 437 L HA -0.189 4.153 4.340 0.003 0.000 0.209 437 L C 2.379 179.287 176.870 0.065 0.000 1.083 437 L CA 2.103 56.923 54.840 -0.033 0.000 0.752 437 L CB -0.593 41.440 42.059 -0.043 0.000 0.899 437 L HN 0.365 nan 8.230 nan 0.000 0.433 438 Q N -0.813 119.033 119.800 0.076 0.000 2.119 438 Q HA -0.171 4.170 4.340 0.003 0.000 0.201 438 Q C 2.254 178.375 176.000 0.201 0.000 0.972 438 Q CA 1.632 57.522 55.803 0.144 0.000 0.847 438 Q CB -0.620 28.191 28.738 0.121 0.000 0.903 438 Q HN 0.496 nan 8.270 nan 0.000 0.433 439 L N 0.711 122.029 121.223 0.158 0.000 2.027 439 L HA -0.064 4.278 4.340 0.003 0.000 0.206 439 L C 2.154 179.130 176.870 0.176 0.000 1.074 439 L CA 2.124 57.045 54.840 0.135 0.000 0.745 439 L CB -0.950 41.176 42.059 0.111 0.000 0.898 439 L HN 0.113 nan 8.230 nan 0.000 0.433 440 A N -1.333 121.576 122.820 0.148 0.000 1.908 440 A HA -0.314 4.008 4.320 0.003 0.000 0.218 440 A C 2.336 179.989 177.584 0.114 0.000 1.181 440 A CA 2.046 54.178 52.037 0.158 0.000 0.627 440 A CB -1.307 17.750 19.000 0.096 0.000 0.818 440 A HN 0.644 nan 8.150 nan 0.000 0.445 441 Y N -1.634 118.700 120.300 0.056 0.000 2.145 441 Y HA -0.258 4.294 4.550 0.003 0.000 0.286 441 Y C 2.282 178.283 175.900 0.169 0.000 1.145 441 Y CA 2.190 60.356 58.100 0.110 0.000 1.148 441 Y CB -0.538 38.004 38.460 0.136 0.000 0.981 441 Y HN 0.429 nan 8.280 nan 0.000 0.507 442 Y N 0.920 121.347 120.300 0.211 0.000 2.181 442 Y HA -0.224 4.328 4.550 0.003 0.000 0.288 442 Y C 2.435 178.330 175.900 -0.008 0.000 1.146 442 Y CA 1.878 60.051 58.100 0.122 0.000 1.164 442 Y CB -0.337 38.185 38.460 0.103 0.000 0.982 442 Y HN 0.011 nan 8.280 nan 0.000 0.515 443 R N -0.316 120.235 120.500 0.085 0.000 2.152 443 R HA -0.140 4.202 4.340 0.003 0.000 0.232 443 R C 2.041 178.222 176.300 -0.197 0.000 1.117 443 R CA 1.765 57.881 56.100 0.027 0.000 0.981 443 R CB -0.270 30.165 30.300 0.225 0.000 0.870 443 R HN 0.435 nan 8.270 nan 0.000 0.451 444 I N -1.555 118.730 120.570 -0.475 0.000 2.385 444 I HA -0.155 4.017 4.170 0.003 0.000 0.244 444 I C 1.129 176.726 176.117 -0.866 0.000 1.089 444 I CA 1.021 61.802 61.300 -0.866 0.000 1.410 444 I CB 0.058 37.290 38.000 -1.280 0.000 1.117 444 I HN 0.083 nan 8.210 nan 0.000 0.429 445 Y N 0.547 120.546 120.300 -0.502 0.000 2.462 445 Y HA 0.319 4.871 4.550 0.003 0.000 0.261 445 Y C 1.782 177.466 175.900 -0.360 0.000 1.146 445 Y CA 0.317 58.174 58.100 -0.405 0.000 1.283 445 Y CB 0.220 38.393 38.460 -0.478 0.000 1.090 445 Y HN 0.268 nan 8.280 nan 0.000 0.526 446 G N 1.135 109.659 108.800 -0.461 0.000 2.168 446 G HA2 -0.279 3.683 3.960 0.003 0.000 0.257 446 G HA3 -0.279 3.683 3.960 0.003 0.000 0.257 446 G C -0.027 174.509 174.900 -0.606 0.000 0.997 446 G CA 0.681 45.344 45.100 -0.728 0.000 0.708 446 G HN 0.512 nan 8.290 nan 0.000 0.520 447 Q N -1.954 117.701 119.800 -0.241 0.000 2.633 447 Q HA 0.762 5.104 4.340 0.003 0.000 0.289 447 Q C -0.371 175.922 176.000 0.489 0.000 0.940 447 Q CA -0.487 55.461 55.803 0.242 0.000 0.785 447 Q CB 0.747 29.588 28.738 0.172 0.000 1.467 447 Q HN 1.360 nan 8.270 nan 0.000 0.401 448 A N 0.467 123.551 122.820 0.439 0.000 2.257 448 A HA 0.843 5.165 4.320 0.003 0.000 0.289 448 A C 0.115 177.824 177.584 0.207 0.000 1.095 448 A CA 0.145 52.386 52.037 0.339 0.000 0.836 448 A CB 0.547 19.678 19.000 0.218 0.000 1.111 448 A HN 1.223 nan 8.150 nan 0.000 0.497 449 C N -1.865 117.435 119.300 -0.001 0.000 3.090 449 C HA 0.849 5.311 4.460 0.003 0.000 0.305 449 C C 0.380 175.356 174.990 -0.023 0.000 1.292 449 C CA -0.488 58.490 59.018 -0.066 0.000 1.482 449 C CB 0.688 28.245 27.740 -0.304 0.000 1.897 449 C HN 1.824 nan 8.230 nan 0.000 0.469 450 A N 1.954 124.799 122.820 0.042 0.000 2.548 450 A HA 0.511 4.833 4.320 0.003 0.000 0.247 450 A C 0.406 178.157 177.584 0.279 0.000 1.067 450 A CA 0.801 52.917 52.037 0.132 0.000 0.757 450 A CB -0.503 18.477 19.000 -0.033 0.000 0.996 450 A HN 1.060 nan 8.150 nan 0.000 0.504 451 T N 2.457 117.216 114.554 0.343 0.000 2.848 451 T HA 0.482 4.834 4.350 0.003 0.000 0.285 451 T C -1.097 173.717 174.700 0.190 0.000 0.995 451 T CA -0.067 62.194 62.100 0.269 0.000 0.970 451 T CB 0.929 69.857 68.868 0.099 0.000 0.976 451 T HN 0.520 nan 8.240 nan 0.000 0.441 452 Y N 2.089 122.277 120.300 -0.186 0.000 2.352 452 Y HA 0.590 5.142 4.550 0.003 0.000 0.339 452 Y C -0.146 175.609 175.900 -0.241 0.000 0.992 452 Y CA -0.649 57.121 58.100 -0.550 0.000 1.100 452 Y CB 1.094 38.820 38.460 -1.223 0.000 1.192 452 Y HN 0.617 nan 8.280 nan 0.000 0.458 453 E N 3.944 123.897 120.200 -0.412 0.000 2.263 453 E HA 0.320 4.672 4.350 0.003 0.000 0.268 453 E C -1.263 175.120 176.600 -0.361 0.000 0.884 453 E CA -0.714 55.599 56.400 -0.145 0.000 0.766 453 E CB 1.498 31.183 29.700 -0.025 0.000 1.196 453 E HN 0.722 nan 8.360 nan 0.000 0.416 454 S N 1.790 117.445 115.700 -0.075 0.000 2.546 454 S HA 0.319 4.791 4.470 0.003 0.000 0.290 454 S C -0.312 174.217 174.600 -0.118 0.000 1.290 454 S CA -0.059 58.103 58.200 -0.064 0.000 1.069 454 S CB 0.902 64.156 63.200 0.090 0.000 0.846 454 S HN 0.519 nan 8.310 nan 0.000 0.495 455 A N 2.860 125.585 122.820 -0.158 0.000 2.343 455 A HA 0.646 4.967 4.320 0.003 0.000 0.308 455 A C 0.031 177.568 177.584 -0.078 0.000 1.092 455 A CA -0.661 51.308 52.037 -0.114 0.000 0.751 455 A CB 1.299 20.213 19.000 -0.144 0.000 1.203 455 A HN 0.636 nan 8.150 nan 0.000 0.452 456 S N 1.834 117.511 115.700 -0.039 0.000 2.499 456 S HA 0.420 4.892 4.470 0.003 0.000 0.275 456 S C 0.158 174.752 174.600 -0.011 0.000 1.257 456 S CA -0.326 57.860 58.200 -0.024 0.000 1.050 456 S CB -0.063 63.131 63.200 -0.010 0.000 0.937 456 S HN 0.605 nan 8.310 nan 0.000 0.490 457 L N 5.570 126.792 121.223 -0.002 0.000 2.928 457 L HA 0.369 4.711 4.340 0.003 0.000 0.246 457 L C 1.767 178.682 176.870 0.075 0.000 1.239 457 L CA -0.087 54.800 54.840 0.078 0.000 1.035 457 L CB -0.021 42.095 42.059 0.094 0.000 1.360 457 L HN 0.658 nan 8.230 nan 0.000 0.529 458 R N 0.369 120.873 120.500 0.006 0.000 2.357 458 R HA -0.085 4.256 4.340 0.003 0.000 0.202 458 R C 2.065 178.327 176.300 -0.064 0.000 1.047 458 R CA 0.827 56.926 56.100 -0.001 0.000 1.034 458 R CB -0.180 30.123 30.300 0.006 0.000 0.875 458 R HN 0.531 nan 8.270 nan 0.000 0.473 459 M N -1.507 117.967 119.600 -0.210 0.000 2.630 459 M HA 0.103 4.585 4.480 0.003 0.000 0.254 459 M C -0.386 175.612 176.300 -0.504 0.000 1.092 459 M CA 1.196 56.265 55.300 -0.384 0.000 1.087 459 M CB 0.207 32.483 32.600 -0.541 0.000 1.453 459 M HN -0.217 nan 8.290 nan 0.000 0.509 460 F N 0.236 120.191 119.950 0.008 0.000 2.492 460 F HA 0.372 4.901 4.527 0.003 0.000 0.327 460 F C 0.720 176.544 175.800 0.041 0.000 1.079 460 F CA -1.235 56.776 58.000 0.018 0.000 0.967 460 F CB 0.585 39.586 39.000 0.001 0.000 1.169 460 F HN 0.001 nan 8.300 nan 0.000 0.472 461 H N 4.114 123.274 119.070 0.150 0.000 3.107 461 H HA 0.036 4.594 4.556 0.003 0.000 0.301 461 H C 0.750 176.108 175.328 0.051 0.000 0.981 461 H CA 0.522 56.605 56.048 0.060 0.000 1.443 461 H CB 0.345 30.127 29.762 0.035 0.000 1.479 461 H HN 0.843 nan 8.280 nan 0.000 0.564 462 L N 2.948 124.019 121.223 -0.253 0.000 4.625 462 L HA -0.238 4.104 4.340 0.003 0.000 0.428 462 L C 1.025 177.836 176.870 -0.098 0.000 1.129 462 L CA 0.617 55.310 54.840 -0.244 0.000 0.978 462 L CB -1.778 40.040 42.059 -0.401 0.000 2.043 462 L HN 0.785 nan 8.230 nan 0.000 0.847 463 G N -0.177 108.614 108.800 -0.015 0.000 2.432 463 G HA2 0.343 4.304 3.960 0.003 0.000 0.239 463 G HA3 0.343 4.304 3.960 0.003 0.000 0.239 463 G C 0.774 175.662 174.900 -0.020 0.000 1.291 463 G CA -0.246 44.855 45.100 0.002 0.000 0.863 463 G HN 0.118 nan 8.290 nan 0.000 0.560 464 R N 0.319 120.778 120.500 -0.068 0.000 1.850 464 R HA 0.369 4.711 4.340 0.003 0.000 0.152 464 R C 1.006 177.250 176.300 -0.094 0.000 2.001 464 R CA 1.050 57.124 56.100 -0.043 0.000 1.578 464 R CB -0.523 29.780 30.300 0.005 0.000 1.261 464 R HN 0.709 nan 8.270 nan 0.000 0.478 465 T N -1.416 112.987 114.554 -0.251 0.000 2.816 465 T HA 0.561 4.913 4.350 0.003 0.000 0.299 465 T C -1.058 173.401 174.700 -0.402 0.000 1.230 465 T CA -0.810 61.138 62.100 -0.253 0.000 1.007 465 T CB 2.885 71.661 68.868 -0.153 0.000 1.289 465 T HN 0.057 nan 8.240 nan 0.000 0.508 466 D N -0.895 119.324 120.400 -0.302 0.000 2.652 466 D HA 0.569 5.211 4.640 0.003 0.000 0.285 466 D C -1.081 174.991 176.300 -0.380 0.000 1.173 466 D CA -0.251 53.557 54.000 -0.319 0.000 0.981 466 D CB 2.564 43.254 40.800 -0.185 0.000 1.440 466 D HN 0.683 nan 8.370 nan 0.000 0.485 467 T N 0.968 115.274 114.554 -0.414 0.000 2.794 467 T HA 0.556 4.908 4.350 0.003 0.000 0.280 467 T C 0.162 174.555 174.700 -0.512 0.000 0.987 467 T CA -0.393 61.316 62.100 -0.652 0.000 0.993 467 T CB 0.616 69.098 68.868 -0.642 0.000 0.939 467 T HN 0.156 nan 8.240 nan 0.000 0.449 468 I N 3.229 123.421 120.570 -0.631 0.000 2.336 468 I HA 0.376 4.548 4.170 0.003 0.000 0.292 468 I C 0.523 176.170 176.117 -0.783 0.000 0.991 468 I CA -0.702 60.136 61.300 -0.770 0.000 1.227 468 I CB 1.220 38.877 38.000 -0.573 0.000 1.366 468 I HN 0.320 nan 8.210 nan 0.000 0.466 469 R N 4.232 124.106 120.500 -1.044 0.000 2.215 469 R HA 0.269 4.611 4.340 0.003 0.000 0.337 469 R C 0.695 176.815 176.300 -0.300 0.000 1.010 469 R CA -0.235 55.619 56.100 -0.411 0.000 0.871 469 R CB 1.112 31.393 30.300 -0.031 0.000 1.134 469 R HN 0.624 nan 8.270 nan 0.000 0.477 470 S N 1.512 117.162 115.700 -0.082 0.000 2.481 470 S HA -0.045 4.427 4.470 0.003 0.000 0.231 470 S C 0.900 175.569 174.600 0.116 0.000 0.996 470 S CA 0.438 58.698 58.200 0.100 0.000 0.942 470 S CB 0.319 63.600 63.200 0.135 0.000 0.768 470 S HN 0.664 nan 8.310 nan 0.000 0.520 471 A N 2.370 125.251 122.820 0.103 0.000 2.316 471 A HA 0.621 4.943 4.320 0.003 0.000 0.311 471 A C 0.485 178.159 177.584 0.150 0.000 1.339 471 A CA -0.576 51.533 52.037 0.119 0.000 0.960 471 A CB 0.210 19.276 19.000 0.110 0.000 1.152 471 A HN 0.342 nan 8.150 nan 0.000 0.547 472 S N 1.859 117.647 115.700 0.148 0.000 2.811 472 S HA 0.621 5.093 4.470 0.003 0.000 0.311 472 S C 0.803 175.475 174.600 0.120 0.000 1.152 472 S CA -0.601 57.698 58.200 0.164 0.000 0.864 472 S CB 0.372 63.690 63.200 0.196 0.000 1.226 472 S HN 0.372 nan 8.310 nan 0.000 0.541 473 I N 1.118 121.754 120.570 0.110 0.000 2.226 473 I HA -0.149 4.023 4.170 0.003 0.000 0.245 473 I C 1.767 177.923 176.117 0.064 0.000 1.100 473 I CA 1.463 62.803 61.300 0.066 0.000 1.374 473 I CB -0.366 37.664 38.000 0.051 0.000 1.057 473 I HN 0.642 nan 8.210 nan 0.000 0.413 474 D N 0.321 120.771 120.400 0.084 0.000 2.144 474 D HA -0.133 4.509 4.640 0.003 0.000 0.200 474 D C 2.381 178.745 176.300 0.107 0.000 0.978 474 D CA 1.774 55.824 54.000 0.084 0.000 0.833 474 D CB -0.114 40.736 40.800 0.083 0.000 0.961 474 D HN 0.372 nan 8.370 nan 0.000 0.470 475 S N 0.733 116.502 115.700 0.116 0.000 2.383 475 S HA -0.129 4.343 4.470 0.003 0.000 0.227 475 S C 2.052 176.718 174.600 0.109 0.000 1.026 475 S CA 0.417 58.702 58.200 0.142 0.000 0.981 475 S CB -0.437 62.842 63.200 0.131 0.000 0.818 475 S HN 0.139 nan 8.310 nan 0.000 0.472 476 L N 2.172 123.425 121.223 0.050 0.000 2.056 476 L HA 0.263 4.605 4.340 0.003 0.000 0.207 476 L C 2.703 179.516 176.870 -0.095 0.000 1.078 476 L CA 1.632 56.445 54.840 -0.045 0.000 0.749 476 L CB -1.321 40.732 42.059 -0.010 0.000 0.901 476 L HN 0.374 nan 8.230 nan 0.000 0.433 477 A N -0.968 121.845 122.820 -0.012 0.000 1.933 477 A HA -0.257 4.065 4.320 0.003 0.000 0.218 477 A C 2.220 179.808 177.584 0.005 0.000 1.175 477 A CA 1.876 53.907 52.037 -0.009 0.000 0.628 477 A CB -1.070 17.948 19.000 0.030 0.000 0.814 477 A HN 0.566 nan 8.150 nan 0.000 0.444 478 F N 1.273 121.173 119.950 -0.082 0.000 2.098 478 F HA -0.122 4.407 4.527 0.003 0.000 0.294 478 F C 2.325 178.056 175.800 -0.115 0.000 1.107 478 F CA 1.968 59.922 58.000 -0.077 0.000 1.234 478 F CB -0.698 38.268 39.000 -0.058 0.000 1.002 478 F HN 0.116 nan 8.300 nan 0.000 0.472 479 V N -0.662 118.948 119.914 -0.507 0.000 2.392 479 V HA -0.274 3.848 4.120 0.003 0.000 0.249 479 V C 2.262 177.974 176.094 -0.635 0.000 1.059 479 V CA 2.234 64.136 62.300 -0.663 0.000 1.051 479 V CB -1.193 30.334 31.823 -0.492 0.000 0.658 479 V HN 0.376 nan 8.190 nan 0.000 0.455 480 K N 1.211 121.266 120.400 -0.575 0.000 2.001 480 K HA 0.031 4.353 4.320 0.003 0.000 0.208 480 K C 2.388 178.863 176.600 -0.209 0.000 1.048 480 K CA 1.495 57.558 56.287 -0.374 0.000 0.932 480 K CB -0.870 31.476 32.500 -0.257 0.000 0.715 480 K HN 0.591 nan 8.250 nan 0.000 0.437 481 G N 1.277 109.959 108.800 -0.197 0.000 2.448 481 G HA2 -0.270 3.692 3.960 0.003 0.000 0.219 481 G HA3 -0.270 3.692 3.960 0.003 0.000 0.219 481 G C 1.451 176.257 174.900 -0.157 0.000 1.127 481 G CA 0.740 45.766 45.100 -0.124 0.000 0.766 481 G HN 0.148 nan 8.290 nan 0.000 0.552 482 M N 1.522 120.926 119.600 -0.327 0.000 2.086 482 M HA 0.122 4.604 4.480 0.003 0.000 0.261 482 M C 2.324 178.531 176.300 -0.155 0.000 1.067 482 M CA 1.908 57.014 55.300 -0.323 0.000 1.116 482 M CB -0.646 31.540 32.600 -0.689 0.000 1.348 482 M HN 0.072 nan 8.290 nan 0.000 0.407 483 G N -0.723 108.003 108.800 -0.123 0.000 2.920 483 G HA2 -0.057 3.905 3.960 0.003 0.000 0.208 483 G HA3 -0.057 3.905 3.960 0.003 0.000 0.208 483 G C -0.035 174.859 174.900 -0.010 0.000 1.159 483 G CA -0.094 44.989 45.100 -0.028 0.000 0.784 483 G HN 0.432 nan 8.290 nan 0.000 0.535 484 D N 1.118 121.501 120.400 -0.029 0.000 2.325 484 D HA 0.131 4.773 4.640 0.003 0.000 0.251 484 D C 1.629 177.925 176.300 -0.007 0.000 1.196 484 D CA -0.079 53.913 54.000 -0.012 0.000 0.866 484 D CB 1.213 42.001 40.800 -0.021 0.000 1.101 484 D HN 0.133 nan 8.370 nan 0.000 0.476 485 S N 1.273 116.974 115.700 0.001 0.000 2.660 485 S HA -0.088 4.384 4.470 0.003 0.000 0.223 485 S C 1.391 175.994 174.600 0.005 0.000 0.963 485 S CA 0.593 58.795 58.200 0.004 0.000 0.932 485 S CB -0.264 62.940 63.200 0.005 0.000 0.775 485 S HN 0.519 nan 8.310 nan 0.000 0.531 486 T N -2.002 112.554 114.554 0.003 0.000 3.010 486 T HA 0.358 4.710 4.350 0.003 0.000 0.257 486 T C 0.232 174.933 174.700 0.002 0.000 1.020 486 T CA -0.246 61.856 62.100 0.003 0.000 0.938 486 T CB -0.043 68.827 68.868 0.003 0.000 1.049 486 T HN 0.141 nan 8.240 nan 0.000 0.522 487 V N 3.641 123.555 119.914 -0.001 0.000 2.439 487 V HA 0.415 4.537 4.120 0.003 0.000 0.282 487 V C -2.311 173.784 176.094 0.000 0.000 1.039 487 V CA -2.151 60.147 62.300 -0.003 0.000 0.913 487 V CB 1.192 33.010 31.823 -0.009 0.000 0.983 487 V HN 0.233 nan 8.190 nan 0.000 0.460 488 P HA 0.070 nan 4.420 nan 0.000 0.265 488 P C 0.865 178.152 177.300 -0.022 0.000 1.193 488 P CA 0.118 63.213 63.100 -0.009 0.000 0.765 488 P CB 0.661 32.349 31.700 -0.020 0.000 0.823 489 E N 1.645 121.841 120.200 -0.008 0.000 2.118 489 E HA -0.312 4.039 4.350 0.003 0.000 0.195 489 E C 1.605 178.079 176.600 -0.209 0.000 0.992 489 E CA 1.158 57.557 56.400 -0.002 0.000 0.804 489 E CB 0.095 29.918 29.700 0.204 0.000 0.741 489 E HN 0.394 nan 8.360 nan 0.000 0.458 490 Q N 0.555 120.135 119.800 -0.367 0.000 2.224 490 Q HA -0.205 4.137 4.340 0.003 0.000 0.203 490 Q C 1.809 177.711 176.000 -0.164 0.000 0.970 490 Q CA 1.530 57.078 55.803 -0.424 0.000 0.865 490 Q CB -0.088 28.462 28.738 -0.313 0.000 0.922 490 Q HN 0.094 nan 8.270 nan 0.000 0.445 491 Q N 0.188 119.936 119.800 -0.088 0.000 2.172 491 Q HA -0.044 4.298 4.340 0.003 0.000 0.200 491 Q C 1.388 177.396 176.000 0.015 0.000 0.964 491 Q CA 1.585 57.371 55.803 -0.028 0.000 0.855 491 Q CB 0.074 28.803 28.738 -0.015 0.000 0.918 491 Q HN 0.420 nan 8.270 nan 0.000 0.444 492 K N -0.812 119.605 120.400 0.029 0.000 2.148 492 K HA -0.034 4.287 4.320 0.003 0.000 0.204 492 K C 1.924 178.627 176.600 0.171 0.000 1.050 492 K CA 1.143 57.504 56.287 0.123 0.000 0.942 492 K CB 0.055 32.625 32.500 0.116 0.000 0.724 492 K HN 0.052 nan 8.250 nan 0.000 0.446 493 V N 2.105 122.062 119.914 0.071 0.000 2.307 493 V HA -0.235 3.886 4.120 0.003 0.000 0.245 493 V C 1.975 178.083 176.094 0.024 0.000 1.045 493 V CA 1.786 64.120 62.300 0.056 0.000 1.024 493 V CB -0.437 31.398 31.823 0.019 0.000 0.651 493 V HN 0.330 nan 8.190 nan 0.000 0.449 494 E N 0.203 120.413 120.200 0.016 0.000 2.058 494 E HA -0.213 4.139 4.350 0.003 0.000 0.194 494 E C 2.225 178.834 176.600 0.016 0.000 0.997 494 E CA 1.369 57.774 56.400 0.009 0.000 0.801 494 E CB -0.275 29.429 29.700 0.008 0.000 0.746 494 E HN 0.485 nan 8.360 nan 0.000 0.450 495 L N 0.807 122.068 121.223 0.063 0.000 2.083 495 L HA -0.181 4.161 4.340 0.003 0.000 0.209 495 L C 2.567 179.432 176.870 -0.008 0.000 1.083 495 L CA 0.651 55.556 54.840 0.108 0.000 0.752 495 L CB -0.312 41.889 42.059 0.237 0.000 0.899 495 L HN 0.207 nan 8.230 nan 0.000 0.433 496 L N -0.249 120.881 121.223 -0.155 0.000 2.005 496 L HA -0.220 4.122 4.340 0.003 0.000 0.207 496 L C 2.932 179.581 176.870 -0.369 0.000 1.072 496 L CA 1.430 55.855 54.840 -0.691 0.000 0.744 496 L CB -0.171 41.568 42.059 -0.533 0.000 0.895 496 L HN 0.149 nan 8.230 nan 0.000 0.433 497 R N -0.266 120.137 120.500 -0.161 0.000 2.096 497 R HA -0.227 4.115 4.340 0.003 0.000 0.235 497 R C 2.337 178.602 176.300 -0.058 0.000 1.127 497 R CA 1.727 57.778 56.100 -0.082 0.000 0.968 497 R CB -0.293 29.987 30.300 -0.033 0.000 0.861 497 R HN 0.330 nan 8.270 nan 0.000 0.440 498 K N 0.551 120.923 120.400 -0.046 0.000 2.148 498 K HA -0.074 4.248 4.320 0.003 0.000 0.204 498 K C 2.012 178.610 176.600 -0.004 0.000 1.050 498 K CA 1.186 57.468 56.287 -0.008 0.000 0.942 498 K CB -0.001 32.506 32.500 0.012 0.000 0.724 498 K HN 0.157 nan 8.250 nan 0.000 0.446 499 A N 0.334 123.122 122.820 -0.053 0.000 1.898 499 A HA -0.081 4.241 4.320 0.003 0.000 0.216 499 A C 2.178 179.759 177.584 -0.006 0.000 1.181 499 A CA 1.396 53.415 52.037 -0.029 0.000 0.620 499 A CB -0.533 18.401 19.000 -0.110 0.000 0.819 499 A HN 0.142 nan 8.150 nan 0.000 0.442 500 V N 0.058 119.932 119.914 -0.067 0.000 2.343 500 V HA -0.244 3.878 4.120 0.003 0.000 0.247 500 V C 2.733 178.871 176.094 0.073 0.000 1.051 500 V CA 1.986 64.282 62.300 -0.007 0.000 1.036 500 V CB -0.714 31.092 31.823 -0.028 0.000 0.654 500 V HN 0.521 nan 8.190 nan 0.000 0.451 501 Q N -0.131 119.697 119.800 0.047 0.000 2.119 501 Q HA -0.088 4.254 4.340 0.003 0.000 0.201 501 Q C 2.439 178.490 176.000 0.086 0.000 0.972 501 Q CA 1.832 57.672 55.803 0.061 0.000 0.847 501 Q CB -0.695 28.065 28.738 0.038 0.000 0.903 501 Q HN 0.645 nan 8.270 nan 0.000 0.433 502 A N 0.572 123.447 122.820 0.093 0.000 1.972 502 A HA -0.216 4.106 4.320 0.003 0.000 0.219 502 A C 2.012 179.687 177.584 0.153 0.000 1.169 502 A CA 1.601 53.706 52.037 0.113 0.000 0.635 502 A CB -0.730 18.340 19.000 0.116 0.000 0.810 502 A HN 0.421 nan 8.150 nan 0.000 0.446 503 H N -0.440 118.675 119.070 0.076 0.000 2.395 503 H HA -0.064 4.494 4.556 0.003 0.000 0.299 503 H C 2.302 177.680 175.328 0.082 0.000 1.070 503 H CA 1.791 57.883 56.048 0.074 0.000 1.356 503 H CB 0.028 29.809 29.762 0.031 0.000 1.401 503 H HN 0.410 nan 8.280 nan 0.000 0.524 504 R N 1.118 121.728 120.500 0.182 0.000 2.096 504 R HA -0.035 4.307 4.340 0.003 0.000 0.235 504 R C 2.400 178.739 176.300 0.066 0.000 1.127 504 R CA 1.617 57.792 56.100 0.125 0.000 0.968 504 R CB -0.833 29.533 30.300 0.110 0.000 0.861 504 R HN 0.308 nan 8.270 nan 0.000 0.440 505 A N -0.589 122.270 122.820 0.065 0.000 1.877 505 A HA -0.192 4.130 4.320 0.003 0.000 0.216 505 A C 2.253 179.853 177.584 0.026 0.000 1.186 505 A CA 1.507 53.568 52.037 0.041 0.000 0.620 505 A CB -1.089 17.934 19.000 0.039 0.000 0.822 505 A HN 0.584 nan 8.150 nan 0.000 0.443 506 Y N 0.878 121.100 120.300 -0.130 0.000 2.165 506 Y HA -0.237 4.315 4.550 0.003 0.000 0.286 506 Y C 2.800 178.581 175.900 -0.199 0.000 1.155 506 Y CA 1.858 59.837 58.100 -0.200 0.000 1.164 506 Y CB -0.158 38.155 38.460 -0.245 0.000 0.978 506 Y HN 0.363 nan 8.280 nan 0.000 0.513 507 T N -0.088 114.479 114.554 0.022 0.000 2.708 507 T HA -0.202 4.150 4.350 0.003 0.000 0.266 507 T C 1.303 176.017 174.700 0.023 0.000 1.037 507 T CA 1.576 63.663 62.100 -0.022 0.000 1.146 507 T CB -0.377 68.476 68.868 -0.024 0.000 0.865 507 T HN 0.397 nan 8.240 nan 0.000 0.435 508 D N 0.887 121.304 120.400 0.029 0.000 2.144 508 D HA -0.051 4.591 4.640 0.003 0.000 0.199 508 D C 2.401 178.720 176.300 0.032 0.000 0.984 508 D CA 0.927 54.946 54.000 0.031 0.000 0.834 508 D CB -0.163 40.656 40.800 0.032 0.000 0.955 508 D HN 0.353 nan 8.370 nan 0.000 0.465 509 R N 0.566 121.072 120.500 0.011 0.000 2.092 509 R HA 0.017 4.358 4.340 0.003 0.000 0.231 509 R C 2.294 178.614 176.300 0.032 0.000 1.119 509 R CA 0.965 57.062 56.100 -0.003 0.000 0.970 509 R CB -0.155 30.062 30.300 -0.137 0.000 0.864 509 R HN 0.071 nan 8.270 nan 0.000 0.440 510 A N 2.154 125.002 122.820 0.047 0.000 1.873 510 A HA -0.131 4.191 4.320 0.003 0.000 0.215 510 A C 2.195 179.813 177.584 0.056 0.000 1.186 510 A CA 1.405 53.472 52.037 0.049 0.000 0.616 510 A CB -0.609 18.409 19.000 0.030 0.000 0.823 510 A HN 0.433 nan 8.150 nan 0.000 0.442 511 I N -3.697 116.901 120.570 0.048 0.000 2.916 511 I HA -0.037 4.135 4.170 0.003 0.000 0.267 511 I C 1.631 177.814 176.117 0.110 0.000 1.263 511 I CA 1.103 62.435 61.300 0.053 0.000 1.471 511 I CB -0.253 37.757 38.000 0.017 0.000 1.089 511 I HN 0.100 nan 8.210 nan 0.000 0.468 512 R N 1.589 122.180 120.500 0.150 0.000 2.466 512 R HA 0.263 4.605 4.340 0.003 0.000 0.279 512 R C 1.122 177.658 176.300 0.392 0.000 0.976 512 R CA 0.449 56.698 56.100 0.247 0.000 1.081 512 R CB 0.481 30.873 30.300 0.154 0.000 1.215 512 R HN 0.585 nan 8.270 nan 0.000 0.546 513 G N 1.564 110.563 108.800 0.331 0.000 2.198 513 G HA2 -0.309 3.652 3.960 0.003 0.000 0.260 513 G HA3 -0.309 3.652 3.960 0.003 0.000 0.260 513 G C 0.334 175.300 174.900 0.110 0.000 1.025 513 G CA 0.392 45.585 45.100 0.155 0.000 0.769 513 G HN 0.482 nan 8.290 nan 0.000 0.507 514 E N -0.415 119.860 120.200 0.125 0.000 2.501 514 E HA 0.503 4.855 4.350 0.003 0.000 0.201 514 E C 1.694 178.372 176.600 0.129 0.000 1.016 514 E CA 0.218 56.698 56.400 0.134 0.000 0.920 514 E CB 0.442 30.215 29.700 0.123 0.000 1.023 514 E HN 0.724 nan 8.360 nan 0.000 0.474 515 A N 0.432 123.308 122.820 0.093 0.000 2.251 515 A HA 0.303 4.625 4.320 0.003 0.000 0.278 515 A C 0.470 178.201 177.584 0.244 0.000 1.206 515 A CA -0.145 51.933 52.037 0.068 0.000 0.822 515 A CB 0.064 19.074 19.000 0.017 0.000 1.187 515 A HN 0.344 nan 8.150 nan 0.000 0.504 516 F N -3.054 117.036 119.950 0.232 0.000 2.784 516 F HA 0.310 4.839 4.527 0.003 0.000 0.323 516 F C 0.779 176.742 175.800 0.271 0.000 1.085 516 F CA 0.247 58.426 58.000 0.298 0.000 1.196 516 F CB -0.349 38.838 39.000 0.311 0.000 1.053 516 F HN 0.459 nan 8.300 nan 0.000 0.578 517 D N 1.362 121.586 120.400 -0.294 0.000 2.092 517 D HA -0.117 4.525 4.640 0.003 0.000 0.193 517 D C 2.105 178.507 176.300 0.171 0.000 0.994 517 D CA 1.657 55.631 54.000 -0.044 0.000 0.828 517 D CB 0.002 40.709 40.800 -0.155 0.000 0.963 517 D HN 0.012 nan 8.370 nan 0.000 0.450 518 R N -0.280 120.291 120.500 0.119 0.000 2.115 518 R HA -0.099 4.243 4.340 0.003 0.000 0.230 518 R C 2.131 178.718 176.300 0.479 0.000 1.111 518 R CA 0.908 57.120 56.100 0.186 0.000 0.976 518 R CB -1.012 29.285 30.300 -0.005 0.000 0.870 518 R HN 0.567 nan 8.270 nan 0.000 0.445 519 H N 0.570 119.862 119.070 0.370 0.000 2.321 519 H HA 0.005 4.563 4.556 0.003 0.000 0.300 519 H C 2.066 177.573 175.328 0.299 0.000 1.087 519 H CA 1.220 57.492 56.048 0.373 0.000 1.319 519 H CB 0.145 30.083 29.762 0.293 0.000 1.379 519 H HN 0.048 nan 8.280 nan 0.000 0.501 520 L N 0.412 121.806 121.223 0.286 0.000 2.083 520 L HA -0.192 4.150 4.340 0.003 0.000 0.209 520 L C 2.744 179.696 176.870 0.137 0.000 1.083 520 L CA 0.659 55.623 54.840 0.207 0.000 0.752 520 L CB -0.355 41.886 42.059 0.303 0.000 0.899 520 L HN 0.344 nan 8.230 nan 0.000 0.433 521 L N 0.339 121.670 121.223 0.179 0.000 2.017 521 L HA -0.069 4.273 4.340 0.003 0.000 0.208 521 L C 2.356 179.181 176.870 -0.074 0.000 1.073 521 L CA 2.193 57.054 54.840 0.035 0.000 0.745 521 L CB -1.113 41.049 42.059 0.172 0.000 0.894 521 L HN 0.104 nan 8.230 nan 0.000 0.432 522 G N -0.283 108.642 108.800 0.207 0.000 2.442 522 G HA2 -0.237 3.725 3.960 0.003 0.000 0.219 522 G HA3 -0.237 3.725 3.960 0.003 0.000 0.219 522 G C 1.603 176.507 174.900 0.007 0.000 1.141 522 G CA 1.145 46.395 45.100 0.251 0.000 0.763 522 G HN 0.456 nan 8.290 nan 0.000 0.554 523 L N -0.084 121.180 121.223 0.068 0.000 2.093 523 L HA -0.018 4.324 4.340 0.003 0.000 0.208 523 L C 2.808 179.651 176.870 -0.045 0.000 1.085 523 L CA 1.391 56.307 54.840 0.126 0.000 0.755 523 L CB -0.293 41.971 42.059 0.343 0.000 0.904 523 L HN 0.211 nan 8.230 nan 0.000 0.435 524 K N 0.707 120.784 120.400 -0.539 0.000 2.025 524 K HA -0.146 4.176 4.320 0.003 0.000 0.207 524 K C 2.141 178.443 176.600 -0.497 0.000 1.049 524 K CA 1.204 56.932 56.287 -0.932 0.000 0.933 524 K CB -0.039 31.567 32.500 -1.491 0.000 0.714 524 K HN 0.227 nan 8.250 nan 0.000 0.438 525 L N 0.766 121.640 121.223 -0.581 0.000 2.141 525 L HA -0.169 4.173 4.340 0.003 0.000 0.209 525 L C 2.673 179.297 176.870 -0.410 0.000 1.094 525 L CA 0.925 55.341 54.840 -0.707 0.000 0.763 525 L CB -0.396 40.738 42.059 -1.542 0.000 0.908 525 L HN 0.278 nan 8.230 nan 0.000 0.437 526 Q N 0.523 120.186 119.800 -0.228 0.000 2.119 526 Q HA -0.144 4.198 4.340 0.003 0.000 0.201 526 Q C 2.228 178.269 176.000 0.068 0.000 0.972 526 Q CA 1.947 57.822 55.803 0.120 0.000 0.847 526 Q CB -0.204 28.648 28.738 0.191 0.000 0.903 526 Q HN 0.423 nan 8.270 nan 0.000 0.433 527 A N 0.238 123.069 122.820 0.017 0.000 1.902 527 A HA -0.149 4.173 4.320 0.003 0.000 0.217 527 A C 2.131 179.726 177.584 0.018 0.000 1.181 527 A CA 1.518 53.581 52.037 0.044 0.000 0.623 527 A CB -0.773 18.277 19.000 0.085 0.000 0.818 527 A HN 0.471 nan 8.150 nan 0.000 0.443 528 I N -0.635 119.915 120.570 -0.033 0.000 2.127 528 I HA -0.291 3.881 4.170 0.003 0.000 0.241 528 I C 2.614 178.746 176.117 0.025 0.000 1.075 528 I CA 1.985 63.271 61.300 -0.024 0.000 1.334 528 I CB -0.425 37.531 38.000 -0.075 0.000 1.040 528 I HN 0.554 nan 8.210 nan 0.000 0.405 529 E N 1.021 121.259 120.200 0.063 0.000 2.110 529 E HA -0.266 4.086 4.350 0.003 0.000 0.193 529 E C 1.331 177.983 176.600 0.087 0.000 0.988 529 E CA 1.489 57.958 56.400 0.115 0.000 0.804 529 E CB 0.055 29.890 29.700 0.226 0.000 0.745 529 E HN 0.393 nan 8.360 nan 0.000 0.458 530 D N 0.073 120.518 120.400 0.076 0.000 2.378 530 D HA -0.035 4.607 4.640 0.003 0.000 0.227 530 D C 0.703 177.027 176.300 0.040 0.000 1.012 530 D CA 0.471 54.505 54.000 0.056 0.000 0.905 530 D CB 0.095 40.926 40.800 0.051 0.000 0.895 530 D HN 0.276 nan 8.370 nan 0.000 0.532 531 L N -1.086 120.160 121.223 0.038 0.000 4.040 531 L HA -0.206 4.136 4.340 0.003 0.000 0.410 531 L C 0.098 176.982 176.870 0.025 0.000 1.187 531 L CA -0.090 54.767 54.840 0.028 0.000 0.956 531 L CB -2.221 39.853 42.059 0.026 0.000 2.022 531 L HN -0.029 nan 8.230 nan 0.000 0.897 532 V N -3.579 116.352 119.914 0.029 0.000 2.713 532 V HA 0.708 4.830 4.120 0.003 0.000 0.307 532 V C 0.989 177.103 176.094 0.033 0.000 1.052 532 V CA -0.157 62.160 62.300 0.029 0.000 0.967 532 V CB 1.816 33.658 31.823 0.032 0.000 1.019 532 V HN 0.247 nan 8.190 nan 0.000 0.459 533 S N 2.839 118.558 115.700 0.031 0.000 2.558 533 S HA 0.152 4.624 4.470 0.003 0.000 0.287 533 S C 0.149 174.781 174.600 0.053 0.000 1.321 533 S CA -0.267 57.953 58.200 0.034 0.000 1.048 533 S CB -0.135 63.081 63.200 0.028 0.000 0.844 533 S HN 1.019 nan 8.310 nan 0.000 0.512 534 M N 6.473 126.103 119.600 0.050 0.000 2.307 534 M HA 0.319 4.801 4.480 0.003 0.000 0.346 534 M C -2.332 174.024 176.300 0.093 0.000 1.552 534 M CA -1.240 54.108 55.300 0.080 0.000 1.116 534 M CB 0.232 32.865 32.600 0.054 0.000 1.889 534 M HN 0.353 nan 8.290 nan 0.000 0.460 535 P HA -0.027 nan 4.420 nan 0.000 0.265 535 P C -0.199 177.042 177.300 -0.098 0.000 1.187 535 P CA 0.069 63.192 63.100 0.039 0.000 0.766 535 P CB 0.531 32.262 31.700 0.052 0.000 0.820 536 D N 2.271 122.594 120.400 -0.127 0.000 2.182 536 D HA -0.158 4.484 4.640 0.003 0.000 0.201 536 D C 1.744 177.879 176.300 -0.275 0.000 0.986 536 D CA 1.048 54.963 54.000 -0.142 0.000 0.847 536 D CB -0.291 40.443 40.800 -0.110 0.000 0.942 536 D HN 0.408 nan 8.370 nan 0.000 0.467 537 I N -0.038 120.213 120.570 -0.532 0.000 2.399 537 I HA -0.295 3.877 4.170 0.003 0.000 0.254 537 I C 1.536 177.195 176.117 -0.763 0.000 1.146 537 I CA 1.238 62.080 61.300 -0.763 0.000 1.412 537 I CB -0.060 37.145 38.000 -1.326 0.000 1.076 537 I HN -0.114 nan 8.210 nan 0.000 0.432 538 F N -0.560 119.105 119.950 -0.475 0.000 2.698 538 F HA 0.101 4.630 4.527 0.003 0.000 0.295 538 F C 2.030 177.716 175.800 -0.191 0.000 1.124 538 F CA 0.091 57.769 58.000 -0.537 0.000 1.426 538 F CB 0.030 38.738 39.000 -0.485 0.000 1.120 538 F HN -0.017 nan 8.300 nan 0.000 0.583 539 M N -0.689 118.922 119.600 0.017 0.000 2.371 539 M HA 0.067 4.549 4.480 0.003 0.000 0.246 539 M C -0.101 176.236 176.300 0.063 0.000 1.103 539 M CA -0.067 55.269 55.300 0.060 0.000 1.010 539 M CB -0.026 32.596 32.600 0.037 0.000 1.457 539 M HN -0.163 nan 8.290 nan 0.000 0.486 540 D N 0.821 121.242 120.400 0.035 0.000 2.424 540 D HA -0.003 4.639 4.640 0.003 0.000 0.244 540 D C 0.890 177.266 176.300 0.126 0.000 1.134 540 D CA 0.686 54.724 54.000 0.062 0.000 0.881 540 D CB 1.247 42.038 40.800 -0.014 0.000 1.191 540 D HN 0.004 nan 8.370 nan 0.000 0.445 541 T N 2.028 116.651 114.554 0.114 0.000 2.737 541 T HA -0.160 4.191 4.350 0.003 0.000 0.269 541 T C 1.932 176.693 174.700 0.103 0.000 1.040 541 T CA 1.637 63.792 62.100 0.092 0.000 1.142 541 T CB -0.129 68.781 68.868 0.069 0.000 0.861 541 T HN 0.380 nan 8.240 nan 0.000 0.456 542 S N 0.080 115.852 115.700 0.121 0.000 2.370 542 S HA -0.113 4.359 4.470 0.003 0.000 0.226 542 S C 1.666 176.387 174.600 0.201 0.000 1.033 542 S CA 1.045 59.318 58.200 0.122 0.000 1.011 542 S CB -0.469 62.775 63.200 0.072 0.000 0.852 542 S HN 0.645 nan 8.310 nan 0.000 0.457 543 Y N 1.881 122.270 120.300 0.147 0.000 2.293 543 Y HA -0.076 4.476 4.550 0.003 0.000 0.291 543 Y C 2.361 178.327 175.900 0.109 0.000 1.137 543 Y CA 0.857 59.072 58.100 0.191 0.000 1.202 543 Y CB -0.410 38.136 38.460 0.143 0.000 0.990 543 Y HN 0.256 nan 8.280 nan 0.000 0.537 544 A N 0.422 123.314 122.820 0.121 0.000 1.877 544 A HA -0.177 4.145 4.320 0.003 0.000 0.216 544 A C 2.175 179.728 177.584 -0.052 0.000 1.186 544 A CA 1.970 54.020 52.037 0.021 0.000 0.620 544 A CB -1.010 18.018 19.000 0.048 0.000 0.822 544 A HN 0.552 nan 8.150 nan 0.000 0.443 545 I N -0.246 120.306 120.570 -0.030 0.000 2.202 545 I HA -0.252 3.919 4.170 0.003 0.000 0.242 545 I C 2.961 179.019 176.117 -0.099 0.000 1.091 545 I CA 1.039 62.310 61.300 -0.048 0.000 1.368 545 I CB -0.423 37.572 38.000 -0.008 0.000 1.058 545 I HN 0.343 nan 8.210 nan 0.000 0.410 546 A N 0.600 123.367 122.820 -0.087 0.000 1.978 546 A HA -0.173 4.149 4.320 0.003 0.000 0.220 546 A C 2.134 179.439 177.584 -0.466 0.000 1.170 546 A CA 1.544 53.513 52.037 -0.113 0.000 0.636 546 A CB -0.315 18.757 19.000 0.120 0.000 0.810 546 A HN 0.346 nan 8.150 nan 0.000 0.448 547 M N -0.691 118.577 119.600 -0.553 0.000 2.428 547 M HA 0.118 4.600 4.480 0.003 0.000 0.239 547 M C 0.419 176.282 176.300 -0.728 0.000 1.121 547 M CA 0.344 55.205 55.300 -0.732 0.000 1.019 547 M CB -0.649 31.644 32.600 -0.511 0.000 1.485 547 M HN 0.442 nan 8.290 nan 0.000 0.484 548 H N 0.573 119.259 119.070 -0.640 0.000 2.741 548 H HA 0.238 4.796 4.556 0.003 0.000 0.261 548 H C -1.255 173.859 175.328 -0.356 0.000 1.365 548 H CA -0.460 55.374 56.048 -0.357 0.000 1.266 548 H CB -0.057 29.593 29.762 -0.187 0.000 1.485 548 H HN -0.037 nan 8.280 nan 0.000 0.529 549 F N 4.254 124.143 119.950 -0.100 0.000 2.509 549 F HA 0.103 4.632 4.527 0.003 0.000 0.350 549 F C 1.725 177.510 175.800 -0.024 0.000 1.220 549 F CA -0.345 57.642 58.000 -0.023 0.000 1.151 549 F CB 0.047 39.050 39.000 0.005 0.000 1.379 549 F HN 0.485 nan 8.300 nan 0.000 0.610 550 N N 2.375 121.172 118.700 0.162 0.000 2.289 550 N HA -0.098 4.644 4.740 0.003 0.000 0.184 550 N C 0.171 175.805 175.510 0.207 0.000 1.016 550 N CA 0.958 54.103 53.050 0.157 0.000 0.872 550 N CB 0.325 38.880 38.487 0.114 0.000 0.973 550 N HN 0.381 nan 8.380 nan 0.000 0.433 551 L N 0.550 121.879 121.223 0.177 0.000 2.342 551 L HA 0.258 4.600 4.340 0.003 0.000 0.276 551 L C -0.430 176.579 176.870 0.233 0.000 0.997 551 L CA -0.373 54.581 54.840 0.190 0.000 0.838 551 L CB 2.087 44.178 42.059 0.054 0.000 1.224 551 L HN -0.197 nan 8.230 nan 0.000 0.416 552 S N 2.221 118.074 115.700 0.256 0.000 2.498 552 S HA 0.789 5.261 4.470 0.003 0.000 0.317 552 S C -0.339 174.491 174.600 0.384 0.000 1.090 552 S CA -0.332 57.994 58.200 0.210 0.000 1.089 552 S CB 1.112 64.386 63.200 0.123 0.000 0.997 552 S HN 0.713 nan 8.310 nan 0.000 0.470 553 T N 0.861 115.643 114.554 0.381 0.000 2.841 553 T HA 0.876 5.228 4.350 0.003 0.000 0.296 553 T C -0.745 174.187 174.700 0.387 0.000 1.166 553 T CA -0.465 61.915 62.100 0.467 0.000 1.007 553 T CB 1.476 70.580 68.868 0.393 0.000 1.253 553 T HN 1.171 nan 8.240 nan 0.000 0.511 554 S N 0.058 115.959 115.700 0.335 0.000 2.578 554 S HA 0.513 4.985 4.470 0.003 0.000 0.272 554 S C -1.686 172.783 174.600 -0.219 0.000 1.145 554 S CA -0.949 57.321 58.200 0.117 0.000 0.835 554 S CB 1.797 65.092 63.200 0.158 0.000 1.104 554 S HN 1.112 nan 8.310 nan 0.000 0.458 555 Q N 0.919 120.519 119.800 -0.334 0.000 2.312 555 Q HA 0.683 5.025 4.340 0.003 0.000 0.263 555 Q C -1.661 174.185 176.000 -0.256 0.000 0.995 555 Q CA -0.868 54.565 55.803 -0.617 0.000 0.853 555 Q CB 1.851 30.308 28.738 -0.468 0.000 1.300 555 Q HN 0.715 nan 8.270 nan 0.000 0.448 556 V N 5.834 125.615 119.914 -0.222 0.000 2.383 556 V HA 0.298 4.420 4.120 0.003 0.000 0.261 556 V C -2.374 173.674 176.094 -0.075 0.000 0.987 556 V CA -1.439 60.803 62.300 -0.097 0.000 0.853 556 V CB 0.899 32.693 31.823 -0.048 0.000 1.095 556 V HN 0.750 nan 8.190 nan 0.000 0.461 557 P HA 0.487 nan 4.420 nan 0.000 0.268 557 P C -0.340 176.954 177.300 -0.011 0.000 1.205 557 P CA 0.371 63.454 63.100 -0.030 0.000 0.771 557 P CB 0.967 32.661 31.700 -0.011 0.000 0.858 558 A N 2.271 125.089 122.820 -0.002 0.000 2.589 558 A HA 0.322 4.644 4.320 0.003 0.000 0.296 558 A C 0.553 178.150 177.584 0.022 0.000 1.062 558 A CA -0.637 51.408 52.037 0.013 0.000 0.686 558 A CB 1.139 20.146 19.000 0.012 0.000 1.282 558 A HN 0.389 nan 8.150 nan 0.000 0.404 559 K N 0.145 120.566 120.400 0.035 0.000 2.155 559 K HA 0.015 4.337 4.320 0.003 0.000 0.203 559 K C 0.281 176.910 176.600 0.048 0.000 1.052 559 K CA 1.223 57.534 56.287 0.040 0.000 0.948 559 K CB -0.086 32.443 32.500 0.048 0.000 0.728 559 K HN 0.713 nan 8.250 nan 0.000 0.448 560 T N 1.894 116.479 114.554 0.052 0.000 2.901 560 T HA -0.026 4.326 4.350 0.003 0.000 0.301 560 T C -0.007 174.736 174.700 0.072 0.000 1.012 560 T CA -0.065 62.074 62.100 0.064 0.000 1.135 560 T CB 0.874 69.782 68.868 0.067 0.000 0.936 560 T HN 0.044 nan 8.240 nan 0.000 0.539 561 D N 2.584 123.040 120.400 0.093 0.000 2.767 561 D HA 0.127 4.769 4.640 0.003 0.000 0.231 561 D C 0.514 176.887 176.300 0.120 0.000 1.105 561 D CA -0.536 53.541 54.000 0.129 0.000 1.024 561 D CB -0.907 39.993 40.800 0.167 0.000 1.123 561 D HN 0.596 nan 8.370 nan 0.000 0.470 562 C N -0.612 118.746 119.300 0.097 0.000 2.451 562 C HA 0.901 5.362 4.460 0.003 0.000 0.391 562 C C 0.053 175.103 174.990 0.100 0.000 1.286 562 C CA -0.898 58.179 59.018 0.100 0.000 1.935 562 C CB 1.233 29.020 27.740 0.080 0.000 2.188 562 C HN 0.184 nan 8.230 nan 0.000 0.523 563 V N 1.048 121.035 119.914 0.121 0.000 3.048 563 V HA 0.597 4.719 4.120 0.003 0.000 0.303 563 V C -0.935 175.233 176.094 0.122 0.000 1.214 563 V CA -0.481 61.903 62.300 0.139 0.000 0.984 563 V CB 2.148 34.092 31.823 0.200 0.000 1.054 563 V HN 1.054 nan 8.190 nan 0.000 0.430 564 M N 5.565 125.197 119.600 0.053 0.000 2.762 564 M HA 0.781 5.262 4.480 0.003 0.000 0.306 564 M C -1.190 175.073 176.300 -0.061 0.000 1.223 564 M CA -0.534 54.659 55.300 -0.178 0.000 0.896 564 M CB 2.085 34.630 32.600 -0.091 0.000 1.684 564 M HN 0.701 nan 8.290 nan 0.000 0.491 565 F N -0.153 119.812 119.950 0.025 0.000 2.693 565 F HA 0.843 5.372 4.527 0.003 0.000 0.309 565 F C -1.443 174.344 175.800 -0.022 0.000 1.129 565 F CA -1.579 56.341 58.000 -0.134 0.000 0.948 565 F CB 1.098 40.020 39.000 -0.130 0.000 1.315 565 F HN 0.560 nan 8.300 nan 0.000 0.447 566 F N -1.160 118.908 119.950 0.196 0.000 2.713 566 F HA 0.879 5.408 4.527 0.003 0.000 0.311 566 F C -0.212 175.643 175.800 0.092 0.000 1.141 566 F CA -1.725 56.337 58.000 0.104 0.000 0.939 566 F CB 0.830 39.867 39.000 0.062 0.000 1.325 566 F HN 0.854 nan 8.300 nan 0.000 0.453 567 G N 0.486 109.464 108.800 0.298 0.000 2.572 567 G HA2 0.575 4.537 3.960 0.003 0.000 0.261 567 G HA3 0.575 4.537 3.960 0.003 0.000 0.261 567 G C -2.987 172.085 174.900 0.286 0.000 1.197 567 G CA -1.742 43.447 45.100 0.148 0.000 0.870 567 G HN 0.511 nan 8.290 nan 0.000 0.548 568 P HA 0.093 nan 4.420 nan 0.000 0.270 568 P C 1.121 178.640 177.300 0.365 0.000 1.223 568 P CA -0.257 62.962 63.100 0.198 0.000 0.785 568 P CB 0.962 32.664 31.700 0.004 0.000 0.923 569 V N -0.435 119.617 119.914 0.230 0.000 3.608 569 V HA 0.129 4.250 4.120 0.003 0.000 0.269 569 V C 0.478 176.611 176.094 0.065 0.000 1.245 569 V CA 0.532 62.902 62.300 0.117 0.000 1.138 569 V CB -0.612 31.188 31.823 -0.038 0.000 0.841 569 V HN 0.322 nan 8.190 nan 0.000 0.451 570 V N -5.549 114.422 119.914 0.094 0.000 2.962 570 V HA 0.638 4.760 4.120 0.003 0.000 0.313 570 V C -1.972 174.210 176.094 0.148 0.000 1.099 570 V CA -1.915 60.371 62.300 -0.023 0.000 0.971 570 V CB 1.228 32.818 31.823 -0.388 0.000 1.028 570 V HN -0.024 nan 8.190 nan 0.000 0.430 571 P HA -0.134 nan 4.420 nan 0.000 0.216 571 P C 0.455 177.867 177.300 0.186 0.000 1.153 571 P CA 1.955 65.099 63.100 0.073 0.000 0.858 571 P CB 0.008 31.711 31.700 0.005 0.000 0.789 572 D N -1.375 119.116 120.400 0.152 0.000 2.722 572 D HA 0.219 4.861 4.640 0.003 0.000 0.239 572 D C 0.696 177.041 176.300 0.076 0.000 1.249 572 D CA -0.327 53.738 54.000 0.108 0.000 0.830 572 D CB -0.369 40.501 40.800 0.116 0.000 1.025 572 D HN 0.042 nan 8.370 nan 0.000 0.486 573 G N -0.818 108.022 108.800 0.066 0.000 3.042 573 G HA2 0.566 4.528 3.960 0.003 0.000 0.278 573 G HA3 0.566 4.528 3.960 0.003 0.000 0.278 573 G C -1.642 173.208 174.900 -0.084 0.000 1.371 573 G CA -0.815 44.329 45.100 0.074 0.000 1.009 573 G HN 0.072 nan 8.290 nan 0.000 0.523 574 Y N -1.304 119.060 120.300 0.107 0.000 2.524 574 Y HA 0.610 5.162 4.550 0.003 0.000 0.344 574 Y C 0.639 176.593 175.900 0.089 0.000 1.012 574 Y CA -0.642 57.497 58.100 0.065 0.000 1.068 574 Y CB 2.703 41.220 38.460 0.094 0.000 1.249 574 Y HN 0.688 nan 8.280 nan 0.000 0.468 575 G N 3.032 111.937 108.800 0.175 0.000 2.533 575 G HA2 0.652 4.614 3.960 0.003 0.000 0.310 575 G HA3 0.652 4.614 3.960 0.003 0.000 0.310 575 G C -1.201 173.615 174.900 -0.140 0.000 1.266 575 G CA -0.452 44.708 45.100 0.100 0.000 0.967 575 G HN 0.522 nan 8.290 nan 0.000 0.493 576 I N 1.680 122.257 120.570 0.011 0.000 2.436 576 I HA 0.395 4.567 4.170 0.003 0.000 0.289 576 I C -0.479 175.749 176.117 0.185 0.000 1.010 576 I CA -0.753 60.590 61.300 0.072 0.000 1.098 576 I CB 2.155 40.271 38.000 0.192 0.000 1.266 576 I HN 0.395 nan 8.210 nan 0.000 0.434 577 C N 7.077 126.469 119.300 0.152 0.000 2.712 577 C HA 0.857 5.319 4.460 0.003 0.000 0.308 577 C C -1.249 173.949 174.990 0.347 0.000 1.201 577 C CA -0.384 58.773 59.018 0.232 0.000 1.554 577 C CB 1.471 29.278 27.740 0.112 0.000 2.117 577 C HN 0.747 nan 8.230 nan 0.000 0.480 578 Y N 2.167 122.515 120.300 0.079 0.000 2.581 578 Y HA 0.612 5.164 4.550 0.003 0.000 0.337 578 Y C -0.906 174.927 175.900 -0.113 0.000 1.108 578 Y CA -1.271 56.760 58.100 -0.115 0.000 1.033 578 Y CB 0.831 39.032 38.460 -0.431 0.000 1.318 578 Y HN 0.540 nan 8.280 nan 0.000 0.459 579 N N 2.625 121.297 118.700 -0.046 0.000 2.626 579 N HA 0.490 5.232 4.740 0.003 0.000 0.249 579 N C -3.334 172.131 175.510 -0.075 0.000 1.021 579 N CA -2.556 50.458 53.050 -0.060 0.000 0.886 579 N CB 1.607 40.078 38.487 -0.026 0.000 1.149 579 N HN 0.376 nan 8.380 nan 0.000 0.517 580 P HA 0.200 nan 4.420 nan 0.000 0.275 580 P C -0.148 177.104 177.300 -0.080 0.000 1.276 580 P CA -0.111 62.970 63.100 -0.031 0.000 0.782 580 P CB 0.486 32.231 31.700 0.075 0.000 0.851 581 M N 1.903 121.389 119.600 -0.190 0.000 2.527 581 M HA 0.243 4.724 4.480 0.003 0.000 0.283 581 M C 1.703 177.938 176.300 -0.109 0.000 1.188 581 M CA -0.696 54.468 55.300 -0.227 0.000 0.941 581 M CB 0.318 32.562 32.600 -0.592 0.000 1.498 581 M HN 0.200 nan 8.290 nan 0.000 0.510 582 E N 1.165 121.335 120.200 -0.051 0.000 2.047 582 E HA -0.014 4.338 4.350 0.003 0.000 0.191 582 E C 1.345 177.997 176.600 0.085 0.000 0.987 582 E CA 2.097 58.514 56.400 0.028 0.000 0.799 582 E CB 0.067 29.793 29.700 0.042 0.000 0.752 582 E HN 0.700 nan 8.360 nan 0.000 0.449 583 A N -0.262 122.626 122.820 0.114 0.000 2.390 583 A HA 0.182 4.504 4.320 0.003 0.000 0.232 583 A C 0.177 177.936 177.584 0.293 0.000 1.233 583 A CA 0.307 52.471 52.037 0.211 0.000 0.907 583 A CB -0.269 18.860 19.000 0.215 0.000 0.967 583 A HN 0.511 nan 8.150 nan 0.000 0.512 584 H N -2.370 116.781 119.070 0.135 0.000 2.981 584 H HA 0.641 5.199 4.556 0.003 0.000 0.327 584 H C -1.993 173.406 175.328 0.118 0.000 1.342 584 H CA -1.299 54.833 56.048 0.139 0.000 1.123 584 H CB 0.585 30.410 29.762 0.105 0.000 1.851 584 H HN 0.002 nan 8.280 nan 0.000 0.531 585 I N 1.561 122.235 120.570 0.173 0.000 2.478 585 I HA 0.228 4.400 4.170 0.003 0.000 0.287 585 I C -0.644 175.461 176.117 -0.020 0.000 1.042 585 I CA -0.569 60.682 61.300 -0.082 0.000 1.067 585 I CB 1.898 39.710 38.000 -0.313 0.000 1.233 585 I HN 0.432 nan 8.210 nan 0.000 0.431 586 N N 5.811 124.481 118.700 -0.049 0.000 2.422 586 N HA 0.469 5.211 4.740 0.003 0.000 0.264 586 N C -1.279 174.201 175.510 -0.049 0.000 1.063 586 N CA -0.275 52.817 53.050 0.070 0.000 0.959 586 N CB 0.900 39.458 38.487 0.117 0.000 1.087 586 N HN 0.280 nan 8.380 nan 0.000 0.483 587 F N 0.714 120.778 119.950 0.191 0.000 2.538 587 F HA 0.487 5.016 4.527 0.003 0.000 0.325 587 F C 0.476 176.352 175.800 0.127 0.000 1.066 587 F CA -0.787 57.312 58.000 0.166 0.000 0.946 587 F CB 1.815 40.881 39.000 0.110 0.000 1.199 587 F HN 0.297 nan 8.300 nan 0.000 0.473 588 S N 1.207 117.115 115.700 0.348 0.000 2.547 588 S HA 0.887 5.359 4.470 0.003 0.000 0.281 588 S C -1.648 173.015 174.600 0.104 0.000 1.118 588 S CA -0.691 57.611 58.200 0.170 0.000 0.947 588 S CB 1.550 64.864 63.200 0.190 0.000 1.053 588 S HN 0.381 nan 8.310 nan 0.000 0.482 589 V N 2.784 122.717 119.914 0.032 0.000 2.569 589 V HA 0.758 4.880 4.120 0.003 0.000 0.301 589 V C -0.100 175.991 176.094 -0.006 0.000 1.044 589 V CA -0.518 61.798 62.300 0.027 0.000 0.874 589 V CB 1.522 33.367 31.823 0.036 0.000 1.002 589 V HN 1.146 nan 8.190 nan 0.000 0.424 590 S N 3.280 118.967 115.700 -0.023 0.000 2.607 590 S HA 1.015 5.487 4.470 0.003 0.000 0.303 590 S C -0.410 174.108 174.600 -0.138 0.000 1.086 590 S CA -0.151 57.986 58.200 -0.105 0.000 0.995 590 S CB 2.531 65.628 63.200 -0.172 0.000 1.084 590 S HN 1.705 nan 8.310 nan 0.000 0.507 591 A N 0.671 123.316 122.820 -0.292 0.000 2.599 591 A HA 0.707 5.029 4.320 0.003 0.000 0.290 591 A C -2.276 175.029 177.584 -0.466 0.000 1.101 591 A CA -0.826 50.951 52.037 -0.433 0.000 0.674 591 A CB 0.641 19.423 19.000 -0.364 0.000 1.277 591 A HN 0.756 nan 8.150 nan 0.000 0.419 592 Y N 1.371 121.618 120.300 -0.089 0.000 2.331 592 Y HA 0.321 4.873 4.550 0.003 0.000 0.338 592 Y C 1.317 177.194 175.900 -0.040 0.000 0.992 592 Y CA -1.106 56.974 58.100 -0.032 0.000 1.121 592 Y CB 1.500 39.960 38.460 0.000 0.000 1.184 592 Y HN 0.714 nan 8.280 nan 0.000 0.469 593 N N 0.578 119.360 118.700 0.136 0.000 2.381 593 N HA -0.148 4.594 4.740 0.003 0.000 0.182 593 N C 1.758 177.309 175.510 0.068 0.000 1.025 593 N CA 1.300 54.392 53.050 0.070 0.000 0.888 593 N CB -0.069 38.448 38.487 0.049 0.000 0.965 593 N HN 0.680 nan 8.380 nan 0.000 0.438 594 S N -0.819 114.935 115.700 0.089 0.000 2.469 594 S HA -0.068 4.403 4.470 0.003 0.000 0.238 594 S C 1.217 175.843 174.600 0.044 0.000 0.998 594 S CA 0.048 58.276 58.200 0.047 0.000 0.957 594 S CB -0.439 62.770 63.200 0.016 0.000 0.764 594 S HN 0.338 nan 8.310 nan 0.000 0.514 595 C N 2.266 121.604 119.300 0.063 0.000 2.225 595 C HA 0.829 5.291 4.460 0.003 0.000 0.323 595 C C 1.689 176.703 174.990 0.039 0.000 1.164 595 C CA -0.610 58.437 59.018 0.048 0.000 1.565 595 C CB -0.540 27.233 27.740 0.055 0.000 2.124 595 C HN 0.588 nan 8.230 nan 0.000 0.461 596 A N 3.607 126.449 122.820 0.037 0.000 2.070 596 A HA -0.092 4.230 4.320 0.003 0.000 0.220 596 A C 1.796 179.411 177.584 0.052 0.000 1.159 596 A CA 1.589 53.648 52.037 0.037 0.000 0.656 596 A CB -0.229 18.789 19.000 0.030 0.000 0.800 596 A HN 0.875 nan 8.150 nan 0.000 0.453 597 E N 0.042 120.285 120.200 0.072 0.000 2.418 597 E HA 0.005 4.357 4.350 0.003 0.000 0.197 597 E C 0.819 177.542 176.600 0.204 0.000 1.026 597 E CA 0.993 57.475 56.400 0.138 0.000 0.862 597 E CB -0.190 29.604 29.700 0.155 0.000 0.799 597 E HN 0.743 nan 8.360 nan 0.000 0.518 598 T N -1.450 113.160 114.554 0.094 0.000 2.885 598 T HA 0.522 4.874 4.350 0.003 0.000 0.285 598 T C -0.423 174.299 174.700 0.038 0.000 1.019 598 T CA -1.049 61.078 62.100 0.045 0.000 1.010 598 T CB 1.741 70.379 68.868 -0.384 0.000 1.022 598 T HN -0.066 nan 8.240 nan 0.000 0.466 599 N N 0.533 119.329 118.700 0.159 0.000 2.542 599 N HA 0.340 5.082 4.740 0.003 0.000 0.288 599 N C 0.844 176.485 175.510 0.218 0.000 1.115 599 N CA -0.191 52.929 53.050 0.117 0.000 0.924 599 N CB 2.075 40.607 38.487 0.075 0.000 1.526 599 N HN 0.782 nan 8.380 nan 0.000 0.515 600 A N 3.551 126.451 122.820 0.134 0.000 1.865 600 A HA -0.100 4.222 4.320 0.003 0.000 0.217 600 A C 2.094 179.680 177.584 0.002 0.000 1.191 600 A CA 2.338 54.451 52.037 0.127 0.000 0.623 600 A CB -0.810 18.206 19.000 0.027 0.000 0.826 600 A HN 0.776 nan 8.150 nan 0.000 0.444 601 A N -0.585 122.188 122.820 -0.078 0.000 1.883 601 A HA -0.206 4.116 4.320 0.003 0.000 0.217 601 A C 2.292 179.611 177.584 -0.441 0.000 1.186 601 A CA 1.904 53.771 52.037 -0.284 0.000 0.624 601 A CB -0.546 18.334 19.000 -0.202 0.000 0.822 601 A HN 0.566 nan 8.150 nan 0.000 0.444 602 R N -1.471 118.950 120.500 -0.132 0.000 2.081 602 R HA -0.173 4.169 4.340 0.003 0.000 0.235 602 R C 2.166 178.502 176.300 0.059 0.000 1.131 602 R CA 1.990 58.110 56.100 0.033 0.000 0.960 602 R CB -0.323 30.008 30.300 0.052 0.000 0.856 602 R HN 0.476 nan 8.270 nan 0.000 0.436 603 M N 0.574 120.154 119.600 -0.033 0.000 2.117 603 M HA -0.067 4.415 4.480 0.003 0.000 0.262 603 M C 2.018 178.269 176.300 -0.082 0.000 1.065 603 M CA 2.007 57.222 55.300 -0.142 0.000 1.114 603 M CB -0.452 31.923 32.600 -0.374 0.000 1.361 603 M HN 0.214 nan 8.290 nan 0.000 0.408 604 A N -1.026 121.734 122.820 -0.101 0.000 1.902 604 A HA -0.215 4.107 4.320 0.003 0.000 0.217 604 A C 2.024 179.625 177.584 0.027 0.000 1.181 604 A CA 2.107 54.085 52.037 -0.099 0.000 0.623 604 A CB -1.393 17.546 19.000 -0.103 0.000 0.818 604 A HN 0.786 nan 8.150 nan 0.000 0.443 605 H N -2.959 116.150 119.070 0.065 0.000 2.321 605 H HA -0.166 4.392 4.556 0.003 0.000 0.300 605 H C 1.971 177.315 175.328 0.027 0.000 1.087 605 H CA 1.705 57.785 56.048 0.054 0.000 1.319 605 H CB -0.179 29.618 29.762 0.059 0.000 1.379 605 H HN 0.596 nan 8.280 nan 0.000 0.501 606 Y N 0.183 120.517 120.300 0.056 0.000 2.293 606 Y HA -0.171 4.381 4.550 0.003 0.000 0.291 606 Y C 2.380 178.251 175.900 -0.047 0.000 1.137 606 Y CA 0.699 58.793 58.100 -0.011 0.000 1.202 606 Y CB -0.190 38.236 38.460 -0.056 0.000 0.990 606 Y HN 0.176 nan 8.280 nan 0.000 0.537 607 L N 0.484 121.732 121.223 0.043 0.000 2.056 607 L HA -0.150 4.192 4.340 0.003 0.000 0.207 607 L C 2.275 179.069 176.870 -0.126 0.000 1.078 607 L CA 1.975 56.739 54.840 -0.128 0.000 0.749 607 L CB -0.880 40.973 42.059 -0.343 0.000 0.901 607 L HN 0.307 nan 8.230 nan 0.000 0.433 608 E N -0.493 119.699 120.200 -0.012 0.000 2.085 608 E HA -0.322 4.030 4.350 0.003 0.000 0.194 608 E C 2.100 178.809 176.600 0.181 0.000 0.994 608 E CA 1.417 57.949 56.400 0.220 0.000 0.801 608 E CB -0.063 29.818 29.700 0.301 0.000 0.743 608 E HN 0.314 nan 8.360 nan 0.000 0.453 609 K N 0.515 120.947 120.400 0.053 0.000 2.155 609 K HA 0.005 4.327 4.320 0.003 0.000 0.203 609 K C 1.718 178.333 176.600 0.025 0.000 1.052 609 K CA 1.244 57.529 56.287 -0.005 0.000 0.948 609 K CB -0.397 32.039 32.500 -0.106 0.000 0.728 609 K HN 0.222 nan 8.250 nan 0.000 0.448 610 A N 0.493 123.331 122.820 0.030 0.000 1.898 610 A HA -0.073 4.249 4.320 0.003 0.000 0.216 610 A C 2.165 179.794 177.584 0.075 0.000 1.181 610 A CA 1.369 53.434 52.037 0.046 0.000 0.620 610 A CB -0.629 18.392 19.000 0.034 0.000 0.819 610 A HN 0.288 nan 8.150 nan 0.000 0.442 611 L N -0.615 120.652 121.223 0.074 0.000 2.017 611 L HA -0.191 4.151 4.340 0.003 0.000 0.208 611 L C 2.587 179.740 176.870 0.472 0.000 1.073 611 L CA 1.182 56.160 54.840 0.230 0.000 0.745 611 L CB -0.522 41.468 42.059 -0.116 0.000 0.894 611 L HN 0.376 nan 8.230 nan 0.000 0.432 612 L N -0.693 120.737 121.223 0.345 0.000 2.056 612 L HA -0.217 4.125 4.340 0.003 0.000 0.207 612 L C 2.203 179.163 176.870 0.150 0.000 1.078 612 L CA 1.026 56.017 54.840 0.253 0.000 0.749 612 L CB -0.628 41.437 42.059 0.010 0.000 0.901 612 L HN 0.268 nan 8.230 nan 0.000 0.433 613 D N -0.229 120.240 120.400 0.115 0.000 2.178 613 D HA -0.169 4.473 4.640 0.003 0.000 0.201 613 D C 2.301 178.687 176.300 0.144 0.000 0.980 613 D CA 1.296 55.351 54.000 0.092 0.000 0.842 613 D CB -0.047 40.792 40.800 0.065 0.000 0.948 613 D HN 0.303 nan 8.370 nan 0.000 0.472 614 M N -0.274 119.443 119.600 0.196 0.000 2.200 614 M HA -0.074 4.408 4.480 0.003 0.000 0.265 614 M C 2.256 178.757 176.300 0.336 0.000 1.066 614 M CA 0.893 56.335 55.300 0.237 0.000 1.127 614 M CB 0.042 32.667 32.600 0.043 0.000 1.379 614 M HN -0.116 nan 8.290 nan 0.000 0.420 615 R N -0.174 120.483 120.500 0.262 0.000 2.075 615 R HA -0.106 4.236 4.340 0.003 0.000 0.232 615 R C 1.840 178.083 176.300 -0.096 0.000 1.126 615 R CA 1.809 57.792 56.100 -0.195 0.000 0.963 615 R CB -0.222 29.585 30.300 -0.822 0.000 0.858 615 R HN 0.224 nan 8.270 nan 0.000 0.435 616 T N 1.788 116.335 114.554 -0.012 0.000 2.746 616 T HA -0.146 4.206 4.350 0.003 0.000 0.267 616 T C 1.646 176.389 174.700 0.072 0.000 1.039 616 T CA 1.252 63.355 62.100 0.005 0.000 1.142 616 T CB -0.219 68.656 68.868 0.012 0.000 0.866 616 T HN 0.163 nan 8.240 nan 0.000 0.444 617 L N 0.953 122.259 121.223 0.139 0.000 2.017 617 L HA 0.026 4.368 4.340 0.003 0.000 0.208 617 L C 2.108 179.130 176.870 0.252 0.000 1.073 617 L CA 1.661 56.624 54.840 0.206 0.000 0.745 617 L CB -0.653 41.542 42.059 0.227 0.000 0.894 617 L HN 0.245 nan 8.230 nan 0.000 0.432 618 L N -1.218 120.163 121.223 0.263 0.000 2.156 618 L HA -0.171 4.171 4.340 0.003 0.000 0.208 618 L C 2.588 179.591 176.870 0.223 0.000 1.095 618 L CA 1.061 56.068 54.840 0.279 0.000 0.770 618 L CB -0.505 41.790 42.059 0.392 0.000 0.914 618 L HN 0.384 nan 8.230 nan 0.000 0.439 619 Q N -0.112 119.794 119.800 0.177 0.000 2.172 619 Q HA -0.143 4.199 4.340 0.003 0.000 0.200 619 Q C 1.742 177.744 176.000 0.004 0.000 0.964 619 Q CA 1.174 57.033 55.803 0.093 0.000 0.855 619 Q CB -0.094 28.659 28.738 0.026 0.000 0.918 619 Q HN 0.602 nan 8.270 nan 0.000 0.444 620 N N -0.357 118.311 118.700 -0.052 0.000 2.459 620 N HA -0.080 4.662 4.740 0.003 0.000 0.181 620 N C -0.190 174.985 175.510 -0.558 0.000 1.046 620 N CA 0.368 53.246 53.050 -0.287 0.000 0.904 620 N CB 0.266 38.548 38.487 -0.342 0.000 0.964 620 N HN 0.213 nan 8.380 nan 0.000 0.444 621 H N -0.043 119.061 119.070 0.057 0.000 2.488 621 H HA 0.285 4.843 4.556 0.003 0.000 0.237 621 H C -2.501 172.854 175.328 0.045 0.000 1.395 621 H CA -1.521 54.555 56.048 0.047 0.000 1.491 621 H CB 0.778 30.570 29.762 0.049 0.000 1.567 621 H HN 0.066 nan 8.280 nan 0.000 0.508 622 P HA 0.112 nan 4.420 nan 0.000 0.268 622 P C 1.055 178.395 177.300 0.066 0.000 1.208 622 P CA -0.069 63.072 63.100 0.069 0.000 0.777 622 P CB 1.765 33.489 31.700 0.040 0.000 0.875 623 R N 1.801 122.327 120.500 0.043 0.000 2.048 623 R HA 0.165 4.507 4.340 0.003 0.000 0.224 623 R C 0.656 176.970 176.300 0.023 0.000 1.163 623 R CA 0.560 56.679 56.100 0.031 0.000 0.956 623 R CB -0.714 29.594 30.300 0.014 0.000 0.849 623 R HN 0.510 nan 8.270 nan 0.000 0.435 624 A N 2.927 125.756 122.820 0.015 0.000 2.540 624 A HA 0.077 4.399 4.320 0.003 0.000 0.264 624 A C -0.423 177.171 177.584 0.016 0.000 1.080 624 A CA 0.199 52.243 52.037 0.011 0.000 0.776 624 A CB -0.416 18.588 19.000 0.006 0.000 1.011 624 A HN 0.333 nan 8.150 nan 0.000 0.514 625 K N 0.000 120.410 120.400 0.016 0.000 2.780 625 K HA 0.000 4.322 4.320 0.003 0.000 0.191 625 K CA 0.000 56.298 56.287 0.018 0.000 0.838 625 K CB 0.000 32.508 32.500 0.014 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543