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 3c4e_1_C DATA FIRST_RESID 34 DATA SEQUENCE LESQYQVGPL LGSGGFGSVY SGIRVSDNLP VAIKHVEKDR ISDWGELPNG DATA SEQUENCE TRVPMEVVLL KKVSSGFSGV IRLLDWFERP DSFVLILERP EPVQDLFDFI DATA SEQUENCE TERGALQEEL ARSFFWQVLE AVRHCHNCGV LHRDIKDENI LIDLNRGELK DATA SEQUENCE LIDFGSGALL KDTVYTDFDG TRVYSPPEWI RYHRYHGRSA AVWSLGILLY DATA SEQUENCE DMVCGDIPFE HDEEIIRGQV FFRQRVSSEC QHLIRWCLAL RPSDRPTFEE DATA SEQUENCE IQNHPWMQDV LLPQETAEIH LH 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.799 176.870 -0.118 0.000 1.165 34 L CA 0.000 54.844 54.840 0.008 0.000 0.813 34 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 35 E N -0.609 119.392 120.200 -0.333 0.000 2.333 35 E HA -0.096 4.254 4.350 0.001 0.000 0.198 35 E C 1.220 177.706 176.600 -0.189 0.000 1.007 35 E CA 1.124 57.200 56.400 -0.540 0.000 0.845 35 E CB -0.598 28.796 29.700 -0.510 0.000 0.766 35 E HN 0.470 nan 8.360 nan 0.000 0.507 36 S N 0.054 115.678 115.700 -0.128 0.000 2.805 36 S HA -0.072 4.399 4.470 0.001 0.000 0.230 36 S C 1.339 175.869 174.600 -0.117 0.000 0.968 36 S CA 0.118 58.267 58.200 -0.085 0.000 0.976 36 S CB -0.276 62.883 63.200 -0.069 0.000 0.787 36 S HN 0.288 nan 8.310 nan 0.000 0.533 37 Q N -0.281 119.403 119.800 -0.195 0.000 2.451 37 Q HA 0.163 4.503 4.340 0.001 0.000 0.206 37 Q C -0.837 174.771 176.000 -0.654 0.000 0.947 37 Q CA 0.538 56.082 55.803 -0.432 0.000 0.937 37 Q CB 0.149 28.526 28.738 -0.601 0.000 1.025 37 Q HN 0.767 nan 8.270 nan 0.000 0.511 38 Y N -0.372 119.900 120.300 -0.047 0.000 2.425 38 Y HA 0.320 4.871 4.550 0.001 0.000 0.344 38 Y C -0.181 175.699 175.900 -0.034 0.000 0.969 38 Y CA -1.067 57.016 58.100 -0.029 0.000 1.052 38 Y CB 1.391 39.835 38.460 -0.027 0.000 1.215 38 Y HN -0.200 nan 8.280 nan 0.000 0.451 39 Q N 2.446 122.321 119.800 0.126 0.000 2.303 39 Q HA 0.452 4.793 4.340 0.001 0.000 0.257 39 Q C -1.155 174.894 176.000 0.083 0.000 0.941 39 Q CA -0.619 55.226 55.803 0.070 0.000 0.931 39 Q CB 1.681 30.445 28.738 0.044 0.000 1.215 39 Q HN 0.594 nan 8.270 nan 0.000 0.437 40 V N 3.380 123.321 119.914 0.046 0.000 2.498 40 V HA 0.442 4.563 4.120 0.001 0.000 0.279 40 V C 0.785 176.917 176.094 0.063 0.000 1.048 40 V CA -0.124 62.196 62.300 0.034 0.000 0.967 40 V CB 1.157 32.940 31.823 -0.068 0.000 0.988 40 V HN 0.904 nan 8.190 nan 0.000 0.473 41 G N 5.316 114.187 108.800 0.117 0.000 2.890 41 G HA2 0.630 4.590 3.960 0.001 0.000 0.189 41 G HA3 0.630 4.590 3.960 0.001 0.000 0.189 41 G C -2.813 172.206 174.900 0.199 0.000 1.342 41 G CA -1.313 43.863 45.100 0.126 0.000 1.026 41 G HN 0.576 nan 8.290 nan 0.000 0.579 42 P HA 0.203 nan 4.420 nan 0.000 0.269 42 P C -0.294 177.085 177.300 0.132 0.000 1.215 42 P CA -0.443 62.739 63.100 0.136 0.000 0.780 42 P CB 0.621 32.364 31.700 0.072 0.000 0.898 43 L N 3.275 124.494 121.223 -0.007 0.000 2.462 43 L HA 0.028 4.368 4.340 0.001 0.000 0.272 43 L C 0.645 177.417 176.870 -0.163 0.000 1.166 43 L CA 0.669 55.291 54.840 -0.364 0.000 0.880 43 L CB -0.317 41.454 42.059 -0.479 0.000 1.142 43 L HN 0.356 nan 8.230 nan 0.000 0.473 44 L N 4.750 125.893 121.223 -0.135 0.000 2.354 44 L HA 0.427 4.767 4.340 0.001 0.000 0.212 44 L C 1.006 177.865 176.870 -0.019 0.000 1.091 44 L CA 0.448 55.264 54.840 -0.041 0.000 0.828 44 L CB -0.327 41.727 42.059 -0.007 0.000 0.973 44 L HN 0.836 nan 8.230 nan 0.000 0.461 45 G N -0.852 107.939 108.800 -0.014 0.000 2.519 45 G HA2 0.437 4.397 3.960 0.001 0.000 0.292 45 G HA3 0.437 4.397 3.960 0.001 0.000 0.292 45 G C -1.589 173.385 174.900 0.123 0.000 1.507 45 G CA -0.005 45.151 45.100 0.094 0.000 0.806 45 G HN -0.048 nan 8.290 nan 0.000 0.523 46 S N -0.813 114.907 115.700 0.034 0.000 2.564 46 S HA 0.985 5.455 4.470 0.001 0.000 0.274 46 S C 0.111 174.376 174.600 -0.559 0.000 1.124 46 S CA 0.339 58.392 58.200 -0.246 0.000 0.869 46 S CB 2.143 65.224 63.200 -0.198 0.000 1.105 46 S HN 2.500 nan 8.310 nan 0.000 0.472 47 G N 0.485 108.592 108.800 -1.155 0.000 2.450 47 G HA2 0.499 4.459 3.960 0.001 0.000 0.273 47 G HA3 0.499 4.459 3.960 0.001 0.000 0.273 47 G C 0.592 175.006 174.900 -0.809 0.000 1.221 47 G CA 0.020 44.554 45.100 -0.944 0.000 0.900 47 G HN 1.378 nan 8.290 nan 0.000 0.483 48 G N -0.144 108.371 108.800 -0.474 0.000 2.479 48 G HA2 0.058 4.019 3.960 0.001 0.000 0.220 48 G HA3 0.058 4.019 3.960 0.001 0.000 0.220 48 G C 1.472 176.255 174.900 -0.194 0.000 1.115 48 G CA 1.834 46.790 45.100 -0.241 0.000 0.757 48 G HN 0.845 nan 8.290 nan 0.000 0.560 49 F N -0.004 119.907 119.950 -0.065 0.000 2.780 49 F HA 0.462 4.990 4.527 0.001 0.000 0.299 49 F C 1.236 177.020 175.800 -0.026 0.000 1.146 49 F CA -0.412 57.553 58.000 -0.058 0.000 1.428 49 F CB -0.352 38.614 39.000 -0.057 0.000 1.115 49 F HN 0.380 nan 8.300 nan 0.000 0.583 50 G N 0.198 108.815 108.800 -0.305 0.000 2.416 50 G HA2 0.017 3.978 3.960 0.001 0.000 0.203 50 G HA3 0.017 3.978 3.960 0.001 0.000 0.203 50 G C -0.970 173.843 174.900 -0.145 0.000 1.227 50 G CA -0.478 44.554 45.100 -0.113 0.000 1.041 50 G HN 0.387 nan 8.290 nan 0.000 0.546 51 S N -0.777 114.968 115.700 0.075 0.000 2.473 51 S HA 0.702 5.172 4.470 0.001 0.000 0.307 51 S C -0.285 174.451 174.600 0.226 0.000 1.094 51 S CA -0.477 57.767 58.200 0.073 0.000 1.070 51 S CB 1.926 65.151 63.200 0.042 0.000 1.019 51 S HN 1.171 nan 8.310 nan 0.000 0.480 52 V N 3.974 123.964 119.914 0.126 0.000 2.487 52 V HA 0.485 4.605 4.120 0.001 0.000 0.298 52 V C -1.437 174.652 176.094 -0.008 0.000 1.028 52 V CA -0.639 61.763 62.300 0.170 0.000 0.860 52 V CB 0.945 32.863 31.823 0.158 0.000 0.991 52 V HN 0.827 nan 8.190 nan 0.000 0.427 53 Y N 1.474 121.851 120.300 0.129 0.000 2.487 53 Y HA 0.525 5.076 4.550 0.001 0.000 0.337 53 Y C 0.775 176.713 175.900 0.064 0.000 1.076 53 Y CA -0.656 57.499 58.100 0.092 0.000 1.115 53 Y CB 1.947 40.468 38.460 0.102 0.000 1.235 53 Y HN 0.560 nan 8.280 nan 0.000 0.468 54 S N 0.814 116.635 115.700 0.203 0.000 2.549 54 S HA 0.671 5.142 4.470 0.001 0.000 0.279 54 S C 0.073 174.761 174.600 0.146 0.000 1.321 54 S CA 0.116 58.397 58.200 0.135 0.000 1.054 54 S CB -0.167 63.093 63.200 0.100 0.000 0.899 54 S HN 0.961 nan 8.310 nan 0.000 0.497 55 G N 2.889 111.757 108.800 0.112 0.000 2.708 55 G HA2 0.697 4.657 3.960 0.001 0.000 0.289 55 G HA3 0.697 4.657 3.960 0.001 0.000 0.289 55 G C -1.744 173.230 174.900 0.122 0.000 1.416 55 G CA -0.658 44.511 45.100 0.116 0.000 0.829 55 G HN 0.709 nan 8.290 nan 0.000 0.480 56 I N 0.327 120.990 120.570 0.155 0.000 2.534 56 I HA 0.381 4.551 4.170 0.001 0.000 0.288 56 I C 0.170 176.409 176.117 0.203 0.000 1.077 56 I CA -0.728 60.660 61.300 0.145 0.000 1.051 56 I CB 2.391 40.441 38.000 0.084 0.000 1.234 56 I HN 0.315 nan 8.210 nan 0.000 0.425 57 R N 4.627 125.254 120.500 0.213 0.000 2.421 57 R HA 0.161 4.501 4.340 0.001 0.000 0.305 57 R C 0.667 176.945 176.300 -0.036 0.000 1.039 57 R CA -0.001 56.139 56.100 0.066 0.000 1.003 57 R CB 0.961 31.323 30.300 0.103 0.000 0.959 57 R HN 0.578 nan 8.270 nan 0.000 0.427 58 V N 3.040 122.880 119.914 -0.122 0.000 2.490 58 V HA -0.228 3.892 4.120 0.001 0.000 0.250 58 V C 2.284 178.337 176.094 -0.069 0.000 1.061 58 V CA 1.775 64.027 62.300 -0.080 0.000 1.064 58 V CB -0.281 31.485 31.823 -0.095 0.000 0.670 58 V HN 0.791 nan 8.190 nan 0.000 0.461 59 S N 0.663 116.306 115.700 -0.095 0.000 2.365 59 S HA -0.207 4.264 4.470 0.001 0.000 0.225 59 S C 1.483 176.063 174.600 -0.032 0.000 1.039 59 S CA 1.990 60.151 58.200 -0.065 0.000 1.033 59 S CB -0.226 62.930 63.200 -0.073 0.000 0.887 59 S HN 0.957 nan 8.310 nan 0.000 0.447 60 D N -1.933 118.456 120.400 -0.019 0.000 2.594 60 D HA 0.140 4.781 4.640 0.001 0.000 0.256 60 D C -0.084 176.221 176.300 0.007 0.000 1.393 60 D CA -0.162 53.836 54.000 -0.003 0.000 0.797 60 D CB -0.999 39.803 40.800 0.003 0.000 1.110 60 D HN 0.190 nan 8.370 nan 0.000 0.495 61 N N 0.297 119.003 118.700 0.009 0.000 2.713 61 N HA -0.200 4.541 4.740 0.001 0.000 0.251 61 N C -0.227 175.305 175.510 0.037 0.000 1.117 61 N CA 0.316 53.379 53.050 0.021 0.000 0.770 61 N CB -1.183 37.314 38.487 0.016 0.000 1.137 61 N HN 0.368 nan 8.380 nan 0.000 0.566 62 L N 2.045 123.296 121.223 0.046 0.000 2.513 62 L HA 0.174 4.515 4.340 0.001 0.000 0.272 62 L C -1.848 175.068 176.870 0.077 0.000 1.187 62 L CA -0.549 54.325 54.840 0.057 0.000 0.895 62 L CB 0.362 42.460 42.059 0.065 0.000 1.147 62 L HN -0.115 nan 8.230 nan 0.000 0.483 63 P HA 0.138 nan 4.420 nan 0.000 0.271 63 P C -1.218 176.124 177.300 0.069 0.000 1.226 63 P CA -0.047 63.091 63.100 0.063 0.000 0.765 63 P CB 0.855 32.581 31.700 0.043 0.000 0.835 64 V N 0.454 120.416 119.914 0.080 0.000 3.074 64 V HA 0.954 5.075 4.120 0.001 0.000 0.314 64 V C -0.762 175.357 176.094 0.043 0.000 1.117 64 V CA -1.597 60.738 62.300 0.059 0.000 1.014 64 V CB 1.921 33.781 31.823 0.061 0.000 1.057 64 V HN 0.499 nan 8.190 nan 0.000 0.438 65 A N 2.470 125.303 122.820 0.023 0.000 2.330 65 A HA 0.902 5.222 4.320 0.001 0.000 0.327 65 A C -0.666 176.928 177.584 0.018 0.000 1.155 65 A CA -0.689 51.370 52.037 0.037 0.000 0.803 65 A CB 0.796 19.812 19.000 0.027 0.000 1.208 65 A HN 0.902 nan 8.150 nan 0.000 0.477 66 I N 2.162 122.776 120.570 0.073 0.000 2.382 66 I HA 0.318 4.489 4.170 0.001 0.000 0.285 66 I C 0.007 176.220 176.117 0.160 0.000 1.007 66 I CA -0.261 61.062 61.300 0.039 0.000 1.142 66 I CB 1.611 39.623 38.000 0.018 0.000 1.289 66 I HN 0.676 nan 8.210 nan 0.000 0.453 67 K N 5.875 126.316 120.400 0.068 0.000 2.307 67 K HA 0.483 4.803 4.320 0.001 0.000 0.263 67 K C -1.099 175.540 176.600 0.065 0.000 0.973 67 K CA -0.611 55.768 56.287 0.153 0.000 0.846 67 K CB 0.790 33.367 32.500 0.128 0.000 1.100 67 K HN 0.495 nan 8.250 nan 0.000 0.438 68 H N 1.223 120.407 119.070 0.190 0.000 2.458 68 H HA 0.414 4.971 4.556 0.001 0.000 0.330 68 H C -0.956 174.453 175.328 0.135 0.000 1.111 68 H CA -0.576 55.570 56.048 0.163 0.000 1.245 68 H CB 1.748 31.608 29.762 0.164 0.000 1.456 68 H HN 0.166 nan 8.280 nan 0.000 0.488 69 V N 2.777 122.831 119.914 0.233 0.000 2.525 69 V HA 0.144 4.265 4.120 0.001 0.000 0.299 69 V C 0.106 176.299 176.094 0.165 0.000 1.034 69 V CA -0.989 61.403 62.300 0.154 0.000 0.863 69 V CB 1.622 33.498 31.823 0.089 0.000 0.999 69 V HN 0.789 nan 8.190 nan 0.000 0.423 70 E N 2.760 123.032 120.200 0.120 0.000 2.413 70 E HA 0.108 4.458 4.350 0.001 0.000 0.263 70 E C 0.722 177.414 176.600 0.152 0.000 1.015 70 E CA -0.032 56.441 56.400 0.121 0.000 0.916 70 E CB 1.044 30.791 29.700 0.079 0.000 0.947 70 E HN 0.525 nan 8.360 nan 0.000 0.440 71 K N 2.249 122.772 120.400 0.204 0.000 1.985 71 K HA -0.185 4.135 4.320 0.001 0.000 0.210 71 K C 1.244 178.025 176.600 0.301 0.000 1.047 71 K CA 1.778 58.262 56.287 0.328 0.000 0.932 71 K CB -0.029 32.682 32.500 0.351 0.000 0.716 71 K HN 0.455 nan 8.250 nan 0.000 0.439 72 D N 0.109 120.630 120.400 0.203 0.000 2.239 72 D HA -0.163 4.478 4.640 0.001 0.000 0.202 72 D C 1.580 177.958 176.300 0.130 0.000 0.993 72 D CA 1.161 55.256 54.000 0.158 0.000 0.874 72 D CB -0.006 40.853 40.800 0.099 0.000 0.922 72 D HN 0.144 nan 8.370 nan 0.000 0.464 73 R N -0.337 120.223 120.500 0.099 0.000 2.299 73 R HA 0.175 4.515 4.340 0.001 0.000 0.197 73 R C 0.229 176.534 176.300 0.009 0.000 0.971 73 R CA 0.057 56.183 56.100 0.043 0.000 1.030 73 R CB 0.255 30.565 30.300 0.017 0.000 0.932 73 R HN 0.238 nan 8.270 nan 0.000 0.477 74 I N 0.801 121.379 120.570 0.014 0.000 2.395 74 I HA 0.009 4.179 4.170 0.001 0.000 0.289 74 I C 1.242 177.338 176.117 -0.035 0.000 1.023 74 I CA -0.047 61.161 61.300 -0.152 0.000 1.350 74 I CB 1.910 39.589 38.000 -0.535 0.000 1.409 74 I HN -0.027 nan 8.210 nan 0.000 0.507 75 S N 2.051 117.695 115.700 -0.093 0.000 2.468 75 S HA 0.085 4.555 4.470 0.001 0.000 0.226 75 S C 0.333 174.956 174.600 0.040 0.000 1.051 75 S CA -0.082 58.129 58.200 0.019 0.000 0.943 75 S CB 0.023 63.214 63.200 -0.014 0.000 0.810 75 S HN 0.680 nan 8.310 nan 0.000 0.509 76 D N 0.174 120.492 120.400 -0.137 0.000 2.308 76 D HA 0.525 5.165 4.640 0.001 0.000 0.242 76 D C -1.794 174.362 176.300 -0.240 0.000 1.059 76 D CA -0.467 53.483 54.000 -0.083 0.000 0.830 76 D CB 0.858 41.601 40.800 -0.094 0.000 1.161 76 D HN 0.240 nan 8.370 nan 0.000 0.494 77 W N 2.129 123.381 121.300 -0.080 0.000 2.781 77 W HA 0.739 5.400 4.660 0.000 0.000 0.345 77 W C 0.560 177.018 176.519 -0.102 0.000 1.085 77 W CA -0.671 56.609 57.345 -0.109 0.000 1.198 77 W CB 2.167 31.577 29.460 -0.083 0.000 1.423 77 W HN 0.431 nan 8.180 nan 0.000 0.532 78 G N 0.216 109.084 108.800 0.113 0.000 3.022 78 G HA2 0.681 4.641 3.960 0.001 0.000 0.284 78 G HA3 0.681 4.641 3.960 0.001 0.000 0.284 78 G C -1.623 173.292 174.900 0.025 0.000 1.375 78 G CA -0.928 44.192 45.100 0.033 0.000 0.902 78 G HN 0.458 nan 8.290 nan 0.000 0.538 79 E N -0.970 119.225 120.200 -0.008 0.000 2.312 79 E HA 0.651 5.001 4.350 0.001 0.000 0.267 79 E C -0.972 175.610 176.600 -0.029 0.000 0.894 79 E CA -0.907 55.488 56.400 -0.008 0.000 0.773 79 E CB 2.159 31.863 29.700 0.006 0.000 1.241 79 E HN 0.334 nan 8.360 nan 0.000 0.432 80 L N 3.239 124.452 121.223 -0.017 0.000 2.395 80 L HA 0.235 4.575 4.340 0.001 0.000 0.269 80 L C -1.527 175.350 176.870 0.011 0.000 1.133 80 L CA -2.074 52.761 54.840 -0.007 0.000 0.812 80 L CB 0.916 42.997 42.059 0.037 0.000 1.125 80 L HN 0.617 nan 8.230 nan 0.000 0.452 81 P HA -0.190 nan 4.420 nan 0.000 0.222 81 P C 0.469 177.782 177.300 0.023 0.000 1.139 81 P CA 1.408 64.515 63.100 0.012 0.000 0.790 81 P CB -0.034 31.673 31.700 0.011 0.000 0.757 82 N N -2.570 116.153 118.700 0.038 0.000 2.205 82 N HA 0.197 4.937 4.740 0.001 0.000 0.201 82 N C 0.588 176.124 175.510 0.044 0.000 1.128 82 N CA 0.384 53.459 53.050 0.042 0.000 0.867 82 N CB 0.051 38.570 38.487 0.054 0.000 0.996 82 N HN -0.020 nan 8.380 nan 0.000 0.503 83 G N -0.198 108.627 108.800 0.043 0.000 2.742 83 G HA2 -0.127 3.833 3.960 0.001 0.000 0.257 83 G HA3 -0.127 3.833 3.960 0.001 0.000 0.257 83 G C -0.623 174.311 174.900 0.057 0.000 1.143 83 G CA 0.001 45.125 45.100 0.039 0.000 1.064 83 G HN 0.369 nan 8.290 nan 0.000 0.529 84 T N -0.224 114.372 114.554 0.071 0.000 2.909 84 T HA 0.596 4.946 4.350 0.001 0.000 0.299 84 T C 0.129 174.879 174.700 0.084 0.000 1.073 84 T CA -0.861 61.300 62.100 0.102 0.000 0.999 84 T CB 1.974 70.950 68.868 0.179 0.000 1.098 84 T HN 0.477 nan 8.240 nan 0.000 0.477 85 R N 1.907 122.474 120.500 0.111 0.000 2.248 85 R HA 0.564 4.905 4.340 0.001 0.000 0.328 85 R C -0.308 176.125 176.300 0.221 0.000 1.067 85 R CA -0.300 55.880 56.100 0.133 0.000 0.924 85 R CB 0.076 30.407 30.300 0.051 0.000 1.013 85 R HN 0.556 nan 8.270 nan 0.000 0.454 86 V N 1.838 121.791 119.914 0.065 0.000 3.040 86 V HA 0.658 4.778 4.120 0.001 0.000 0.312 86 V C -2.678 173.154 176.094 -0.437 0.000 1.115 86 V CA -3.217 58.858 62.300 -0.375 0.000 0.998 86 V CB 2.055 33.456 31.823 -0.702 0.000 1.042 86 V HN 0.560 nan 8.190 nan 0.000 0.433 87 P HA 0.106 nan 4.420 nan 0.000 0.264 87 P C 0.671 177.645 177.300 -0.545 0.000 1.183 87 P CA 0.089 62.626 63.100 -0.938 0.000 0.763 87 P CB 0.381 31.522 31.700 -0.932 0.000 0.807 88 M N 4.001 123.361 119.600 -0.400 0.000 2.192 88 M HA -0.249 4.232 4.480 0.001 0.000 0.259 88 M C 1.746 177.897 176.300 -0.249 0.000 1.071 88 M CA 1.854 57.007 55.300 -0.246 0.000 1.082 88 M CB -1.040 31.458 32.600 -0.170 0.000 1.373 88 M HN 0.506 nan 8.290 nan 0.000 0.408 89 E N -1.033 118.997 120.200 -0.284 0.000 2.118 89 E HA -0.172 4.179 4.350 0.001 0.000 0.195 89 E C 1.685 178.132 176.600 -0.255 0.000 0.992 89 E CA 1.724 57.997 56.400 -0.212 0.000 0.804 89 E CB -0.111 29.477 29.700 -0.188 0.000 0.741 89 E HN 0.437 nan 8.360 nan 0.000 0.458 90 V N 0.469 120.168 119.914 -0.358 0.000 2.358 90 V HA -0.216 3.904 4.120 0.001 0.000 0.246 90 V C 2.428 178.328 176.094 -0.324 0.000 1.047 90 V CA 1.339 63.400 62.300 -0.399 0.000 1.035 90 V CB -0.127 31.294 31.823 -0.670 0.000 0.658 90 V HN 0.223 nan 8.190 nan 0.000 0.452 91 V N 0.116 119.854 119.914 -0.294 0.000 2.287 91 V HA -0.274 3.846 4.120 0.001 0.000 0.248 91 V C 2.267 178.251 176.094 -0.183 0.000 1.053 91 V CA 2.176 64.352 62.300 -0.207 0.000 1.027 91 V CB -0.562 31.165 31.823 -0.161 0.000 0.646 91 V HN 0.456 nan 8.190 nan 0.000 0.447 92 L N -1.057 120.046 121.223 -0.199 0.000 2.072 92 L HA -0.123 4.218 4.340 0.001 0.000 0.205 92 L C 2.417 179.061 176.870 -0.376 0.000 1.079 92 L CA 1.249 55.954 54.840 -0.225 0.000 0.752 92 L CB -0.622 41.347 42.059 -0.150 0.000 0.906 92 L HN 0.261 nan 8.230 nan 0.000 0.436 93 L N -0.015 120.960 121.223 -0.414 0.000 2.042 93 L HA -0.242 4.098 4.340 0.001 0.000 0.210 93 L C 2.717 179.440 176.870 -0.244 0.000 1.076 93 L CA 1.500 56.086 54.840 -0.424 0.000 0.749 93 L CB -0.418 41.470 42.059 -0.285 0.000 0.893 93 L HN 0.220 nan 8.230 nan 0.000 0.432 94 K N 0.035 120.330 120.400 -0.176 0.000 2.063 94 K HA -0.210 4.111 4.320 0.001 0.000 0.208 94 K C 2.125 178.674 176.600 -0.086 0.000 1.048 94 K CA 1.473 57.703 56.287 -0.095 0.000 0.928 94 K CB -0.044 32.412 32.500 -0.073 0.000 0.713 94 K HN 0.217 nan 8.250 nan 0.000 0.442 95 K N 0.318 120.647 120.400 -0.119 0.000 2.211 95 K HA -0.101 4.220 4.320 0.001 0.000 0.203 95 K C 1.835 178.375 176.600 -0.100 0.000 1.050 95 K CA 1.401 57.629 56.287 -0.100 0.000 0.945 95 K CB 0.161 32.597 32.500 -0.106 0.000 0.732 95 K HN 0.142 nan 8.250 nan 0.000 0.451 96 V N -2.464 117.374 119.914 -0.128 0.000 3.660 96 V HA 0.110 4.230 4.120 0.001 0.000 0.276 96 V C 0.622 176.801 176.094 0.141 0.000 1.317 96 V CA -0.364 61.914 62.300 -0.036 0.000 1.097 96 V CB 0.506 32.266 31.823 -0.105 0.000 0.863 96 V HN 0.066 nan 8.190 nan 0.000 0.438 97 S N 1.574 117.292 115.700 0.031 0.000 2.565 97 S HA 0.698 5.169 4.470 0.001 0.000 0.274 97 S C 0.030 174.679 174.600 0.081 0.000 1.309 97 S CA 0.625 58.857 58.200 0.052 0.000 1.043 97 S CB 0.634 63.835 63.200 0.003 0.000 0.939 97 S HN 1.891 nan 8.310 nan 0.000 0.504 98 S N 2.476 118.224 115.700 0.079 0.000 2.568 98 S HA 0.198 4.668 4.470 0.001 0.000 0.277 98 S C 1.033 175.671 174.600 0.063 0.000 1.000 98 S CA -0.334 57.913 58.200 0.078 0.000 1.064 98 S CB -0.533 62.732 63.200 0.109 0.000 1.319 98 S HN 1.358 nan 8.310 nan 0.000 0.458 99 G N 0.691 109.530 108.800 0.065 0.000 2.505 99 G HA2 -0.031 3.930 3.960 0.001 0.000 0.220 99 G HA3 -0.031 3.930 3.960 0.001 0.000 0.220 99 G C 0.463 175.382 174.900 0.030 0.000 1.145 99 G CA 1.333 46.460 45.100 0.045 0.000 0.761 99 G HN 0.975 nan 8.290 nan 0.000 0.571 100 F N 2.179 122.052 119.950 -0.128 0.000 2.529 100 F HA 0.331 4.859 4.527 0.001 0.000 0.365 100 F C 1.247 176.918 175.800 -0.215 0.000 1.102 100 F CA -0.014 57.854 58.000 -0.219 0.000 1.271 100 F CB 1.112 39.851 39.000 -0.435 0.000 1.120 100 F HN 0.014 nan 8.300 nan 0.000 0.579 101 S N 2.376 117.499 115.700 -0.961 0.000 2.602 101 S HA 0.206 4.676 4.470 0.001 0.000 0.240 101 S C 1.445 175.616 174.600 -0.715 0.000 0.992 101 S CA 0.025 57.851 58.200 -0.624 0.000 0.971 101 S CB 0.369 63.336 63.200 -0.388 0.000 0.855 101 S HN 0.864 nan 8.310 nan 0.000 0.481 102 G N 1.029 109.095 108.800 -1.222 0.000 2.813 102 G HA2 0.295 4.255 3.960 0.001 0.000 0.209 102 G HA3 0.295 4.255 3.960 0.001 0.000 0.209 102 G C 0.187 175.041 174.900 -0.076 0.000 1.150 102 G CA 0.213 45.002 45.100 -0.520 0.000 0.785 102 G HN 0.429 nan 8.290 nan 0.000 0.535 103 V N 1.992 121.896 119.914 -0.016 0.000 2.540 103 V HA 0.300 4.420 4.120 0.001 0.000 0.302 103 V C -0.189 175.934 176.094 0.049 0.000 1.035 103 V CA -1.275 61.099 62.300 0.125 0.000 0.873 103 V CB 2.126 34.129 31.823 0.299 0.000 0.992 103 V HN -0.007 nan 8.190 nan 0.000 0.428 104 I N 4.405 125.015 120.570 0.067 0.000 2.742 104 I HA 0.059 4.230 4.170 0.001 0.000 0.287 104 I C 0.858 176.995 176.117 0.032 0.000 1.186 104 I CA 0.665 61.983 61.300 0.030 0.000 1.417 104 I CB -0.072 37.948 38.000 0.032 0.000 1.377 104 I HN 0.745 nan 8.210 nan 0.000 0.556 105 R N 6.481 126.984 120.500 0.006 0.000 2.390 105 R HA 0.340 4.680 4.340 0.001 0.000 0.291 105 R C -0.745 175.558 176.300 0.006 0.000 1.070 105 R CA -0.719 55.383 56.100 0.003 0.000 1.014 105 R CB 0.858 31.160 30.300 0.003 0.000 1.007 105 R HN 0.444 nan 8.270 nan 0.000 0.466 106 L N 5.830 127.051 121.223 -0.003 0.000 2.315 106 L HA 0.174 4.515 4.340 0.001 0.000 0.283 106 L C 0.095 176.990 176.870 0.042 0.000 1.089 106 L CA 0.276 55.127 54.840 0.017 0.000 0.833 106 L CB 0.911 42.971 42.059 0.002 0.000 1.170 106 L HN 0.880 nan 8.230 nan 0.000 0.442 107 L N 3.065 124.319 121.223 0.053 0.000 2.298 107 L HA 0.349 4.689 4.340 0.001 0.000 0.209 107 L C 0.119 177.028 176.870 0.065 0.000 1.084 107 L CA 0.249 55.127 54.840 0.064 0.000 0.816 107 L CB -0.060 42.049 42.059 0.084 0.000 0.967 107 L HN 0.633 nan 8.230 nan 0.000 0.460 108 D N -1.760 118.681 120.400 0.067 0.000 2.694 108 D HA 0.273 4.913 4.640 0.001 0.000 0.260 108 D C -2.020 174.308 176.300 0.047 0.000 1.250 108 D CA -0.387 53.596 54.000 -0.028 0.000 0.763 108 D CB 1.828 42.614 40.800 -0.022 0.000 1.311 108 D HN -0.014 nan 8.370 nan 0.000 0.420 109 W N 1.106 122.244 121.300 -0.271 0.000 3.118 109 W HA 0.734 5.394 4.660 0.001 0.000 0.328 109 W C -1.988 174.272 176.519 -0.432 0.000 1.239 109 W CA -1.014 56.235 57.345 -0.160 0.000 1.176 109 W CB 0.373 29.816 29.460 -0.029 0.000 1.433 109 W HN 0.282 nan 8.180 nan 0.000 0.562 110 F N 1.201 121.339 119.950 0.313 0.000 2.578 110 F HA 0.335 4.862 4.527 0.001 0.000 0.311 110 F C -0.093 175.897 175.800 0.316 0.000 1.094 110 F CA -1.008 57.068 58.000 0.127 0.000 0.923 110 F CB 2.612 41.623 39.000 0.020 0.000 1.230 110 F HN 0.352 nan 8.300 nan 0.000 0.450 111 E N 2.949 123.353 120.200 0.340 0.000 2.156 111 E HA 0.517 4.867 4.350 0.001 0.000 0.279 111 E C -0.806 175.769 176.600 -0.042 0.000 0.965 111 E CA -0.574 55.816 56.400 -0.017 0.000 0.789 111 E CB 1.137 30.862 29.700 0.043 0.000 1.098 111 E HN 0.612 nan 8.360 nan 0.000 0.397 112 R N 3.447 123.860 120.500 -0.144 0.000 2.782 112 R HA 0.300 4.640 4.340 0.001 0.000 0.258 112 R C -1.752 174.495 176.300 -0.088 0.000 1.055 112 R CA -1.865 54.198 56.100 -0.063 0.000 1.065 112 R CB 0.759 31.052 30.300 -0.012 0.000 1.172 112 R HN 0.373 nan 8.270 nan 0.000 0.510 113 P HA -0.139 nan 4.420 nan 0.000 0.216 113 P C -0.064 177.229 177.300 -0.012 0.000 1.150 113 P CA 1.421 64.508 63.100 -0.020 0.000 0.837 113 P CB 0.301 31.999 31.700 -0.004 0.000 0.786 114 D N -2.052 118.347 120.400 -0.001 0.000 2.433 114 D HA 0.120 4.760 4.640 0.001 0.000 0.211 114 D C 0.456 176.789 176.300 0.054 0.000 1.114 114 D CA 0.436 54.456 54.000 0.034 0.000 0.837 114 D CB 0.609 41.432 40.800 0.039 0.000 0.984 114 D HN 0.225 nan 8.370 nan 0.000 0.505 115 S N -1.011 114.691 115.700 0.003 0.000 2.625 115 S HA 0.636 5.107 4.470 0.001 0.000 0.271 115 S C -1.038 173.493 174.600 -0.115 0.000 1.161 115 S CA -0.862 57.370 58.200 0.054 0.000 0.820 115 S CB 1.552 64.832 63.200 0.132 0.000 1.137 115 S HN -0.129 nan 8.310 nan 0.000 0.470 116 F N 0.442 120.469 119.950 0.128 0.000 2.480 116 F HA 0.701 5.229 4.527 0.000 0.000 0.329 116 F C -0.321 175.537 175.800 0.097 0.000 1.091 116 F CA -0.689 57.394 58.000 0.137 0.000 0.972 116 F CB 2.219 41.253 39.000 0.056 0.000 1.150 116 F HN 0.454 nan 8.300 nan 0.000 0.467 117 V N 4.735 124.818 119.914 0.283 0.000 2.444 117 V HA 0.447 4.567 4.120 0.001 0.000 0.294 117 V C -0.816 175.411 176.094 0.223 0.000 1.022 117 V CA -0.678 61.662 62.300 0.068 0.000 0.850 117 V CB 1.588 33.354 31.823 -0.094 0.000 0.992 117 V HN 0.410 nan 8.190 nan 0.000 0.426 118 L N 5.950 127.235 121.223 0.104 0.000 2.322 118 L HA 0.577 4.918 4.340 0.001 0.000 0.281 118 L C -0.369 176.525 176.870 0.040 0.000 1.014 118 L CA -0.240 54.678 54.840 0.130 0.000 0.815 118 L CB 1.767 43.875 42.059 0.083 0.000 1.247 118 L HN 0.381 nan 8.230 nan 0.000 0.421 119 I N 5.054 125.648 120.570 0.040 0.000 2.312 119 I HA 0.448 4.618 4.170 0.001 0.000 0.290 119 I C -0.185 175.926 176.117 -0.010 0.000 1.008 119 I CA -0.330 60.926 61.300 -0.072 0.000 1.226 119 I CB 0.999 38.899 38.000 -0.167 0.000 1.371 119 I HN 0.427 nan 8.210 nan 0.000 0.468 120 L N 4.803 126.018 121.223 -0.014 0.000 2.323 120 L HA 0.466 4.806 4.340 0.001 0.000 0.265 120 L C 0.531 177.408 176.870 0.013 0.000 1.012 120 L CA -0.876 53.969 54.840 0.009 0.000 0.820 120 L CB 1.745 43.811 42.059 0.013 0.000 1.334 120 L HN 0.458 nan 8.230 nan 0.000 0.427 121 E N 1.240 121.449 120.200 0.015 0.000 2.437 121 E HA 0.101 4.451 4.350 0.001 0.000 0.263 121 E C -0.449 176.156 176.600 0.007 0.000 1.030 121 E CA 0.240 56.648 56.400 0.012 0.000 0.934 121 E CB 0.740 30.439 29.700 -0.001 0.000 0.943 121 E HN 0.267 nan 8.360 nan 0.000 0.444 122 R N 3.607 124.115 120.500 0.012 0.000 2.473 122 R HA 0.285 4.626 4.340 0.001 0.000 0.303 122 R C -2.613 173.690 176.300 0.004 0.000 1.002 122 R CA -1.955 54.150 56.100 0.009 0.000 0.884 122 R CB 0.918 31.232 30.300 0.023 0.000 1.173 122 R HN 0.261 nan 8.270 nan 0.000 0.464 123 P HA 0.130 nan 4.420 nan 0.000 0.272 123 P C -1.316 175.985 177.300 0.002 0.000 1.223 123 P CA -0.166 62.927 63.100 -0.011 0.000 0.784 123 P CB 1.034 32.716 31.700 -0.030 0.000 0.923 124 E N 1.595 121.800 120.200 0.008 0.000 2.311 124 E HA 0.405 4.755 4.350 0.001 0.000 0.281 124 E C -2.715 173.897 176.600 0.020 0.000 0.905 124 E CA -1.681 54.730 56.400 0.017 0.000 0.778 124 E CB 1.004 30.716 29.700 0.021 0.000 1.240 124 E HN 0.233 nan 8.360 nan 0.000 0.410 125 P HA 0.365 nan 4.420 nan 0.000 0.276 125 P C -1.134 176.186 177.300 0.033 0.000 1.252 125 P CA -0.637 62.484 63.100 0.035 0.000 0.802 125 P CB 1.267 32.995 31.700 0.047 0.000 1.035 126 V N 0.255 120.190 119.914 0.035 0.000 3.049 126 V HA 0.506 4.627 4.120 0.001 0.000 0.309 126 V C -1.423 174.697 176.094 0.044 0.000 1.148 126 V CA -0.445 61.868 62.300 0.022 0.000 0.990 126 V CB 2.173 33.996 31.823 0.001 0.000 1.039 126 V HN 0.798 nan 8.190 nan 0.000 0.430 127 Q N 2.427 122.251 119.800 0.041 0.000 2.320 127 Q HA 0.419 4.759 4.340 0.001 0.000 0.272 127 Q C -1.711 174.319 176.000 0.050 0.000 1.023 127 Q CA -0.712 55.141 55.803 0.083 0.000 0.855 127 Q CB 2.190 31.034 28.738 0.177 0.000 1.367 127 Q HN 1.001 nan 8.270 nan 0.000 0.406 128 D N 1.726 122.166 120.400 0.067 0.000 2.344 128 D HA 0.039 4.679 4.640 0.001 0.000 0.244 128 D C 0.850 177.223 176.300 0.121 0.000 1.134 128 D CA -0.581 53.447 54.000 0.046 0.000 0.930 128 D CB 0.837 41.657 40.800 0.034 0.000 1.175 128 D HN 0.469 nan 8.370 nan 0.000 0.437 129 L N 1.159 122.427 121.223 0.075 0.000 2.131 129 L HA -0.004 4.337 4.340 0.001 0.000 0.210 129 L C 1.666 178.690 176.870 0.258 0.000 1.092 129 L CA 1.439 56.363 54.840 0.140 0.000 0.759 129 L CB -0.951 41.141 42.059 0.055 0.000 0.903 129 L HN 0.646 nan 8.230 nan 0.000 0.435 130 F N 0.433 120.445 119.950 0.104 0.000 2.075 130 F HA -0.233 4.295 4.527 0.001 0.000 0.297 130 F C 2.178 178.052 175.800 0.124 0.000 1.113 130 F CA 2.056 60.121 58.000 0.109 0.000 1.218 130 F CB -0.398 38.645 39.000 0.071 0.000 0.984 130 F HN 0.172 nan 8.300 nan 0.000 0.472 131 D N -0.036 120.607 120.400 0.404 0.000 2.123 131 D HA -0.233 4.408 4.640 0.001 0.000 0.196 131 D C 2.118 178.516 176.300 0.162 0.000 0.992 131 D CA 1.509 55.668 54.000 0.265 0.000 0.833 131 D CB -0.856 40.090 40.800 0.243 0.000 0.954 131 D HN 0.370 nan 8.370 nan 0.000 0.455 132 F N 1.216 121.210 119.950 0.073 0.000 2.095 132 F HA -0.172 4.356 4.527 0.001 0.000 0.298 132 F C 2.199 178.013 175.800 0.023 0.000 1.104 132 F CA 1.282 59.323 58.000 0.069 0.000 1.232 132 F CB -0.200 38.874 39.000 0.123 0.000 0.987 132 F HN -0.118 nan 8.300 nan 0.000 0.475 133 I N -0.687 119.969 120.570 0.143 0.000 2.252 133 I HA -0.296 3.874 4.170 0.001 0.000 0.245 133 I C 2.252 178.273 176.117 -0.161 0.000 1.102 133 I CA 1.599 62.884 61.300 -0.025 0.000 1.385 133 I CB -0.868 37.126 38.000 -0.011 0.000 1.064 133 I HN 0.119 nan 8.210 nan 0.000 0.414 134 T N 0.170 114.594 114.554 -0.216 0.000 2.665 134 T HA -0.234 4.116 4.350 0.001 0.000 0.268 134 T C 1.798 176.425 174.700 -0.121 0.000 1.035 134 T CA 1.618 63.602 62.100 -0.193 0.000 1.151 134 T CB -0.250 68.529 68.868 -0.149 0.000 0.862 134 T HN 0.410 nan 8.240 nan 0.000 0.438 135 E N 0.238 120.367 120.200 -0.119 0.000 2.072 135 E HA -0.029 4.321 4.350 0.001 0.000 0.191 135 E C 2.429 178.923 176.600 -0.176 0.000 0.985 135 E CA 0.829 57.153 56.400 -0.127 0.000 0.801 135 E CB 0.030 29.650 29.700 -0.133 0.000 0.750 135 E HN 0.327 nan 8.360 nan 0.000 0.452 136 R N -0.670 119.668 120.500 -0.270 0.000 2.308 136 R HA 0.163 4.504 4.340 0.001 0.000 0.202 136 R C 0.790 176.984 176.300 -0.177 0.000 0.898 136 R CA 0.329 56.262 56.100 -0.279 0.000 1.046 136 R CB 1.077 31.069 30.300 -0.515 0.000 1.026 136 R HN 0.171 nan 8.270 nan 0.000 0.512 137 G N 1.094 109.805 108.800 -0.147 0.000 2.593 137 G HA2 -0.286 3.675 3.960 0.001 0.000 0.237 137 G HA3 -0.286 3.675 3.960 0.001 0.000 0.237 137 G C -0.321 174.529 174.900 -0.085 0.000 1.312 137 G CA -0.520 44.517 45.100 -0.103 0.000 0.896 137 G HN 0.415 nan 8.290 nan 0.000 0.574 138 A N -0.391 122.385 122.820 -0.073 0.000 2.540 138 A HA 0.494 4.814 4.320 0.001 0.000 0.239 138 A C 0.899 178.453 177.584 -0.050 0.000 1.061 138 A CA 0.617 52.613 52.037 -0.069 0.000 0.758 138 A CB -0.236 18.714 19.000 -0.084 0.000 0.991 138 A HN 1.259 nan 8.150 nan 0.000 0.502 139 L N 2.674 123.878 121.223 -0.031 0.000 2.350 139 L HA 0.212 4.553 4.340 0.001 0.000 0.275 139 L C 0.829 177.674 176.870 -0.041 0.000 1.099 139 L CA -0.463 54.361 54.840 -0.027 0.000 0.808 139 L CB 0.662 42.713 42.059 -0.014 0.000 1.149 139 L HN 0.780 nan 8.230 nan 0.000 0.442 140 Q N 1.502 121.275 119.800 -0.045 0.000 2.326 140 Q HA -0.097 4.243 4.340 0.001 0.000 0.314 140 Q C 0.841 176.826 176.000 -0.025 0.000 1.091 140 Q CA 0.320 56.109 55.803 -0.023 0.000 0.974 140 Q CB 0.771 29.517 28.738 0.015 0.000 1.220 140 Q HN 0.553 nan 8.270 nan 0.000 0.398 141 E N 1.798 122.030 120.200 0.053 0.000 2.130 141 E HA -0.293 4.057 4.350 0.001 0.000 0.196 141 E C 1.605 178.224 176.600 0.031 0.000 0.998 141 E CA 1.353 57.864 56.400 0.184 0.000 0.806 141 E CB 0.110 29.994 29.700 0.307 0.000 0.738 141 E HN 0.635 nan 8.360 nan 0.000 0.459 142 E N 0.527 120.686 120.200 -0.068 0.000 2.077 142 E HA -0.222 4.129 4.350 0.001 0.000 0.193 142 E C 2.139 178.574 176.600 -0.275 0.000 0.989 142 E CA 0.748 57.059 56.400 -0.148 0.000 0.800 142 E CB 0.017 29.704 29.700 -0.021 0.000 0.746 142 E HN 0.105 nan 8.360 nan 0.000 0.452 143 L N 0.879 121.811 121.223 -0.484 0.000 2.027 143 L HA -0.055 4.285 4.340 0.001 0.000 0.206 143 L C 2.275 178.840 176.870 -0.508 0.000 1.074 143 L CA 2.233 56.612 54.840 -0.767 0.000 0.745 143 L CB -0.876 40.589 42.059 -0.990 0.000 0.898 143 L HN 0.176 nan 8.230 nan 0.000 0.433 144 A N -0.460 122.241 122.820 -0.199 0.000 1.972 144 A HA -0.234 4.086 4.320 0.001 0.000 0.219 144 A C 2.530 180.274 177.584 0.267 0.000 1.169 144 A CA 1.684 53.770 52.037 0.081 0.000 0.635 144 A CB -0.637 18.489 19.000 0.211 0.000 0.810 144 A HN 0.525 nan 8.150 nan 0.000 0.446 145 R N -0.356 120.173 120.500 0.047 0.000 2.073 145 R HA -0.123 4.217 4.340 0.001 0.000 0.234 145 R C 2.474 178.822 176.300 0.080 0.000 1.134 145 R CA 1.892 57.879 56.100 -0.188 0.000 0.952 145 R CB -0.419 29.460 30.300 -0.702 0.000 0.850 145 R HN 0.481 nan 8.270 nan 0.000 0.433 146 S N -0.359 115.345 115.700 0.008 0.000 2.368 146 S HA -0.127 4.344 4.470 0.001 0.000 0.225 146 S C 1.789 176.608 174.600 0.366 0.000 1.030 146 S CA 1.098 59.367 58.200 0.116 0.000 0.999 146 S CB -0.317 62.898 63.200 0.026 0.000 0.844 146 S HN 0.384 nan 8.310 nan 0.000 0.459 147 F N 0.780 120.786 119.950 0.094 0.000 2.146 147 F HA 0.130 4.657 4.527 0.001 0.000 0.298 147 F C 2.053 177.974 175.800 0.203 0.000 1.096 147 F CA 0.105 58.164 58.000 0.098 0.000 1.275 147 F CB -1.469 37.562 39.000 0.052 0.000 1.008 147 F HN 0.292 nan 8.300 nan 0.000 0.480 148 F N -0.380 119.773 119.950 0.337 0.000 2.102 148 F HA -0.234 4.293 4.527 0.001 0.000 0.298 148 F C 2.507 178.441 175.800 0.223 0.000 1.105 148 F CA 1.459 59.618 58.000 0.265 0.000 1.239 148 F CB -0.803 38.415 39.000 0.364 0.000 0.991 148 F HN 0.106 nan 8.300 nan 0.000 0.474 149 W N 1.390 122.769 121.300 0.131 0.000 2.318 149 W HA -0.282 4.378 4.660 0.001 0.000 0.313 149 W C 2.095 178.578 176.519 -0.060 0.000 1.221 149 W CA 2.328 59.672 57.345 -0.001 0.000 1.266 149 W CB -0.673 28.810 29.460 0.038 0.000 1.150 149 W HN 0.205 nan 8.180 nan 0.000 0.496 150 Q N -0.354 119.568 119.800 0.203 0.000 2.119 150 Q HA -0.174 4.167 4.340 0.001 0.000 0.201 150 Q C 2.163 178.116 176.000 -0.079 0.000 0.972 150 Q CA 1.813 57.664 55.803 0.081 0.000 0.847 150 Q CB -0.453 28.333 28.738 0.081 0.000 0.903 150 Q HN 0.136 nan 8.270 nan 0.000 0.433 151 V N 1.180 121.015 119.914 -0.132 0.000 2.343 151 V HA -0.257 3.863 4.120 0.001 0.000 0.247 151 V C 2.252 178.127 176.094 -0.364 0.000 1.051 151 V CA 1.280 63.448 62.300 -0.220 0.000 1.036 151 V CB -0.504 31.207 31.823 -0.187 0.000 0.654 151 V HN 0.395 nan 8.190 nan 0.000 0.451 152 L N -0.146 120.755 121.223 -0.536 0.000 2.042 152 L HA -0.161 4.179 4.340 0.001 0.000 0.210 152 L C 2.746 179.247 176.870 -0.616 0.000 1.076 152 L CA 1.951 56.388 54.840 -0.672 0.000 0.749 152 L CB -1.206 40.400 42.059 -0.755 0.000 0.893 152 L HN 0.441 nan 8.230 nan 0.000 0.432 153 E N -0.200 119.709 120.200 -0.485 0.000 2.110 153 E HA -0.169 4.182 4.350 0.001 0.000 0.193 153 E C 2.206 178.684 176.600 -0.205 0.000 0.988 153 E CA 1.328 57.529 56.400 -0.331 0.000 0.804 153 E CB -0.036 29.605 29.700 -0.098 0.000 0.745 153 E HN 0.448 nan 8.360 nan 0.000 0.458 154 A N 0.918 123.715 122.820 -0.040 0.000 1.930 154 A HA -0.094 4.227 4.320 0.001 0.000 0.217 154 A C 2.578 180.143 177.584 -0.032 0.000 1.175 154 A CA 1.126 53.237 52.037 0.124 0.000 0.627 154 A CB -0.462 18.596 19.000 0.096 0.000 0.815 154 A HN 0.124 nan 8.150 nan 0.000 0.443 155 V N -0.072 119.684 119.914 -0.263 0.000 2.453 155 V HA -0.212 3.909 4.120 0.001 0.000 0.247 155 V C 2.580 178.360 176.094 -0.524 0.000 1.048 155 V CA 1.985 64.062 62.300 -0.372 0.000 1.049 155 V CB -0.789 30.692 31.823 -0.569 0.000 0.672 155 V HN 0.506 nan 8.190 nan 0.000 0.457 156 R N -0.760 119.333 120.500 -0.678 0.000 2.081 156 R HA -0.183 4.157 4.340 0.001 0.000 0.235 156 R C 2.407 178.559 176.300 -0.246 0.000 1.131 156 R CA 1.682 57.452 56.100 -0.551 0.000 0.960 156 R CB -0.593 29.402 30.300 -0.508 0.000 0.856 156 R HN 0.656 nan 8.270 nan 0.000 0.436 157 H N 0.309 119.172 119.070 -0.345 0.000 2.321 157 H HA -0.139 4.417 4.556 0.001 0.000 0.300 157 H C 1.874 177.155 175.328 -0.078 0.000 1.087 157 H CA 1.838 57.703 56.048 -0.306 0.000 1.319 157 H CB 0.021 29.472 29.762 -0.519 0.000 1.379 157 H HN 0.236 nan 8.280 nan 0.000 0.501 158 C N 0.669 119.949 119.300 -0.033 0.000 2.413 158 C HA -0.117 4.343 4.460 0.001 0.000 0.276 158 C C 2.699 177.746 174.990 0.094 0.000 1.236 158 C CA 0.942 60.000 59.018 0.067 0.000 1.735 158 C CB -1.343 26.593 27.740 0.327 0.000 2.031 158 C HN 0.685 nan 8.230 nan 0.000 0.474 159 H N -0.045 119.006 119.070 -0.031 0.000 2.353 159 H HA -0.153 4.403 4.556 0.001 0.000 0.300 159 H C 2.106 177.421 175.328 -0.022 0.000 1.090 159 H CA 1.658 57.726 56.048 0.034 0.000 1.327 159 H CB -0.313 29.541 29.762 0.154 0.000 1.383 159 H HN 0.501 nan 8.280 nan 0.000 0.508 160 N N 0.693 119.416 118.700 0.039 0.000 2.272 160 N HA -0.126 4.615 4.740 0.001 0.000 0.185 160 N C 1.309 176.761 175.510 -0.097 0.000 1.014 160 N CA 0.983 54.005 53.050 -0.045 0.000 0.870 160 N CB -0.094 38.334 38.487 -0.099 0.000 0.975 160 N HN 0.176 nan 8.380 nan 0.000 0.433 161 C N -0.522 118.678 119.300 -0.167 0.000 2.697 161 C HA 0.465 4.925 4.460 0.001 0.000 0.267 161 C C 1.385 176.322 174.990 -0.089 0.000 1.278 161 C CA 0.215 59.132 59.018 -0.168 0.000 1.708 161 C CB -1.156 26.411 27.740 -0.289 0.000 1.860 161 C HN 0.662 nan 8.230 nan 0.000 0.589 162 G N 0.855 109.624 108.800 -0.051 0.000 2.160 162 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 162 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 162 G C -0.145 174.736 174.900 -0.031 0.000 1.022 162 G CA 0.383 45.463 45.100 -0.034 0.000 0.741 162 G HN 0.420 nan 8.290 nan 0.000 0.508 163 V N 0.397 120.298 119.914 -0.023 0.000 2.540 163 V HA 0.719 4.840 4.120 0.001 0.000 0.302 163 V C -0.001 176.109 176.094 0.026 0.000 1.035 163 V CA -0.969 61.347 62.300 0.027 0.000 0.873 163 V CB 1.844 33.705 31.823 0.063 0.000 0.992 163 V HN 0.417 nan 8.190 nan 0.000 0.428 164 L N 3.977 125.206 121.223 0.009 0.000 2.296 164 L HA 0.490 4.831 4.340 0.001 0.000 0.286 164 L C 1.174 178.102 176.870 0.096 0.000 1.023 164 L CA 0.169 55.000 54.840 -0.014 0.000 0.812 164 L CB 1.059 43.059 42.059 -0.099 0.000 1.223 164 L HN 0.749 nan 8.230 nan 0.000 0.421 165 H N 4.547 123.640 119.070 0.039 0.000 2.333 165 H HA 0.005 4.562 4.556 0.001 0.000 0.302 165 H C 0.766 176.009 175.328 -0.143 0.000 1.075 165 H CA 1.851 57.819 56.048 -0.133 0.000 1.348 165 H CB 0.507 30.091 29.762 -0.296 0.000 1.393 165 H HN 0.778 nan 8.280 nan 0.000 0.509 166 R N -0.620 119.952 120.500 0.120 0.000 3.922 166 R HA -0.177 4.163 4.340 0.001 0.000 0.447 166 R C -0.500 175.862 176.300 0.103 0.000 1.035 166 R CA 1.192 57.335 56.100 0.072 0.000 1.289 166 R CB -1.479 28.794 30.300 -0.044 0.000 1.906 166 R HN 0.338 nan 8.270 nan 0.000 0.540 167 D N 0.157 120.692 120.400 0.224 0.000 3.007 167 D HA 0.240 4.880 4.640 0.001 0.000 0.363 167 D C -0.511 175.795 176.300 0.010 0.000 1.474 167 D CA -0.313 53.733 54.000 0.076 0.000 0.767 167 D CB 0.320 41.074 40.800 -0.076 0.000 1.227 167 D HN 0.175 nan 8.370 nan 0.000 0.471 168 I N 2.293 122.803 120.570 -0.100 0.000 2.581 168 I HA 0.099 4.269 4.170 0.001 0.000 0.285 168 I C 0.610 176.501 176.117 -0.378 0.000 1.129 168 I CA 0.645 61.766 61.300 -0.300 0.000 1.397 168 I CB 0.097 37.992 38.000 -0.175 0.000 1.399 168 I HN 0.091 nan 8.210 nan 0.000 0.537 169 K N 3.494 123.643 120.400 -0.417 0.000 2.615 169 K HA 0.276 4.597 4.320 0.001 0.000 0.291 169 K C -0.254 176.247 176.600 -0.165 0.000 1.017 169 K CA -0.812 55.135 56.287 -0.567 0.000 0.882 169 K CB 0.897 32.743 32.500 -1.091 0.000 1.522 169 K HN 0.318 nan 8.250 nan 0.000 0.412 170 D N 0.709 121.137 120.400 0.047 0.000 2.178 170 D HA -0.202 4.438 4.640 0.001 0.000 0.201 170 D C 0.963 177.329 176.300 0.109 0.000 0.980 170 D CA 1.499 55.577 54.000 0.129 0.000 0.842 170 D CB -0.205 40.739 40.800 0.241 0.000 0.948 170 D HN 0.694 nan 8.370 nan 0.000 0.472 171 E N -0.207 120.050 120.200 0.095 0.000 2.204 171 E HA -0.093 4.258 4.350 0.001 0.000 0.195 171 E C 0.725 177.269 176.600 -0.094 0.000 0.990 171 E CA 0.728 57.126 56.400 -0.004 0.000 0.821 171 E CB -0.124 29.508 29.700 -0.113 0.000 0.750 171 E HN 0.256 nan 8.360 nan 0.000 0.477 172 N N 0.229 118.853 118.700 -0.126 0.000 2.279 172 N HA 0.197 4.937 4.740 0.001 0.000 0.226 172 N C -0.688 174.723 175.510 -0.166 0.000 1.126 172 N CA 0.266 53.221 53.050 -0.159 0.000 0.846 172 N CB 0.685 39.079 38.487 -0.155 0.000 1.050 172 N HN 0.080 nan 8.380 nan 0.000 0.502 173 I N 1.116 121.607 120.570 -0.132 0.000 2.478 173 I HA 0.292 4.462 4.170 0.001 0.000 0.287 173 I C -0.620 175.414 176.117 -0.138 0.000 1.042 173 I CA -0.541 60.670 61.300 -0.148 0.000 1.067 173 I CB 2.119 40.030 38.000 -0.149 0.000 1.233 173 I HN -0.296 nan 8.210 nan 0.000 0.431 174 L N 6.786 127.920 121.223 -0.149 0.000 2.322 174 L HA 0.575 4.916 4.340 0.001 0.000 0.279 174 L C -0.523 176.224 176.870 -0.205 0.000 1.036 174 L CA -0.754 54.002 54.840 -0.139 0.000 0.807 174 L CB 1.823 43.819 42.059 -0.104 0.000 1.226 174 L HN 0.449 nan 8.230 nan 0.000 0.433 175 I N 1.926 122.374 120.570 -0.203 0.000 2.330 175 I HA 0.129 4.300 4.170 0.001 0.000 0.289 175 I C -0.097 175.941 176.117 -0.132 0.000 1.001 175 I CA -0.432 60.712 61.300 -0.261 0.000 1.193 175 I CB 1.362 39.146 38.000 -0.360 0.000 1.345 175 I HN 0.489 nan 8.210 nan 0.000 0.461 176 D N 7.247 127.575 120.400 -0.119 0.000 2.348 176 D HA 0.069 4.709 4.640 0.001 0.000 0.259 176 D C 0.938 177.229 176.300 -0.015 0.000 1.296 176 D CA 0.246 54.213 54.000 -0.054 0.000 0.931 176 D CB 0.909 41.674 40.800 -0.058 0.000 1.067 176 D HN 0.516 nan 8.370 nan 0.000 0.503 177 L N 3.415 124.655 121.223 0.027 0.000 2.275 177 L HA -0.125 4.216 4.340 0.001 0.000 0.215 177 L C 1.744 178.705 176.870 0.153 0.000 1.119 177 L CA 0.432 55.325 54.840 0.088 0.000 0.790 177 L CB -0.145 41.987 42.059 0.122 0.000 0.919 177 L HN 0.292 nan 8.230 nan 0.000 0.443 178 N N -0.021 118.760 118.700 0.135 0.000 2.336 178 N HA -0.019 4.721 4.740 0.001 0.000 0.177 178 N C 1.698 177.343 175.510 0.225 0.000 1.018 178 N CA 0.888 54.066 53.050 0.214 0.000 0.878 178 N CB 0.151 38.696 38.487 0.097 0.000 0.997 178 N HN 0.192 nan 8.380 nan 0.000 0.433 179 R N -0.557 120.002 120.500 0.098 0.000 2.290 179 R HA 0.217 4.557 4.340 0.001 0.000 0.197 179 R C 0.569 176.883 176.300 0.024 0.000 0.913 179 R CA 0.497 56.629 56.100 0.054 0.000 1.040 179 R CB 0.411 30.719 30.300 0.014 0.000 0.992 179 R HN 0.155 nan 8.270 nan 0.000 0.500 180 G N 2.112 110.926 108.800 0.022 0.000 2.179 180 G HA2 -0.301 3.659 3.960 0.001 0.000 0.257 180 G HA3 -0.301 3.659 3.960 0.001 0.000 0.257 180 G C -0.378 174.514 174.900 -0.014 0.000 1.010 180 G CA 0.236 45.352 45.100 0.028 0.000 0.736 180 G HN 0.381 nan 8.290 nan 0.000 0.513 181 E N -0.784 119.373 120.200 -0.071 0.000 2.166 181 E HA 0.621 4.972 4.350 0.001 0.000 0.275 181 E C -0.209 176.273 176.600 -0.197 0.000 0.941 181 E CA -0.948 55.382 56.400 -0.117 0.000 0.784 181 E CB 1.473 31.105 29.700 -0.113 0.000 1.115 181 E HN 0.107 nan 8.360 nan 0.000 0.399 182 L N 3.014 124.095 121.223 -0.236 0.000 2.325 182 L HA 0.391 4.731 4.340 0.001 0.000 0.279 182 L C -0.460 176.286 176.870 -0.207 0.000 1.054 182 L CA -0.071 54.596 54.840 -0.289 0.000 0.804 182 L CB 0.945 42.790 42.059 -0.356 0.000 1.200 182 L HN 0.377 nan 8.230 nan 0.000 0.436 183 K N 2.447 122.737 120.400 -0.183 0.000 2.507 183 K HA 0.504 4.824 4.320 0.001 0.000 0.251 183 K C -1.418 175.122 176.600 -0.100 0.000 0.943 183 K CA -0.702 55.510 56.287 -0.126 0.000 0.794 183 K CB 1.891 34.327 32.500 -0.107 0.000 1.188 183 K HN 0.204 nan 8.250 nan 0.000 0.428 184 L N 5.360 126.551 121.223 -0.054 0.000 2.367 184 L HA 0.464 4.805 4.340 0.001 0.000 0.275 184 L C -0.411 176.483 176.870 0.041 0.000 1.129 184 L CA 0.078 54.877 54.840 -0.069 0.000 0.839 184 L CB 0.259 42.279 42.059 -0.064 0.000 1.133 184 L HN 0.622 nan 8.230 nan 0.000 0.453 185 I N -0.397 120.161 120.570 -0.021 0.000 3.206 185 I HA 0.608 4.779 4.170 0.001 0.000 0.313 185 I C -0.693 175.442 176.117 0.030 0.000 1.103 185 I CA -1.057 60.271 61.300 0.046 0.000 0.985 185 I CB 1.832 39.800 38.000 -0.053 0.000 1.240 185 I HN 0.475 nan 8.210 nan 0.000 0.464 186 D N 1.490 121.911 120.400 0.036 0.000 3.729 186 D HA -0.211 4.429 4.640 0.001 0.000 0.242 186 D C -0.683 175.469 176.300 -0.247 0.000 1.091 186 D CA 0.673 54.642 54.000 -0.052 0.000 1.096 186 D CB -0.703 40.021 40.800 -0.127 0.000 0.901 186 D HN 0.571 nan 8.370 nan 0.000 0.416 187 F N 0.203 120.019 119.950 -0.223 0.000 2.663 187 F HA 0.332 4.860 4.527 0.001 0.000 0.299 187 F C 2.271 177.891 175.800 -0.300 0.000 1.143 187 F CA 0.322 58.109 58.000 -0.355 0.000 1.387 187 F CB 0.546 39.418 39.000 -0.213 0.000 1.019 187 F HN 0.366 nan 8.300 nan 0.000 0.523 188 G N -0.959 107.761 108.800 -0.134 0.000 2.679 188 G HA2 -0.113 3.847 3.960 0.001 0.000 0.212 188 G HA3 -0.113 3.847 3.960 0.001 0.000 0.212 188 G C 1.344 176.128 174.900 -0.192 0.000 1.137 188 G CA 0.554 45.569 45.100 -0.140 0.000 0.787 188 G HN 0.319 nan 8.290 nan 0.000 0.534 189 S N -0.137 115.407 115.700 -0.260 0.000 2.554 189 S HA 0.352 4.822 4.470 0.001 0.000 0.226 189 S C 1.319 175.767 174.600 -0.252 0.000 0.980 189 S CA -0.142 57.886 58.200 -0.286 0.000 0.939 189 S CB 0.872 63.854 63.200 -0.364 0.000 0.832 189 S HN 0.487 nan 8.310 nan 0.000 0.486 190 G N 1.246 109.916 108.800 -0.216 0.000 2.621 190 G HA2 0.688 4.648 3.960 0.001 0.000 0.271 190 G HA3 0.688 4.648 3.960 0.001 0.000 0.271 190 G C -0.453 174.416 174.900 -0.052 0.000 1.236 190 G CA -0.022 45.001 45.100 -0.129 0.000 0.958 190 G HN 0.511 nan 8.290 nan 0.000 0.512 191 A N -1.103 121.718 122.820 0.003 0.000 2.609 191 A HA 0.628 4.948 4.320 0.001 0.000 0.291 191 A C -0.439 177.189 177.584 0.074 0.000 1.096 191 A CA -0.771 51.301 52.037 0.058 0.000 0.684 191 A CB 0.732 19.830 19.000 0.163 0.000 1.282 191 A HN 0.723 nan 8.150 nan 0.000 0.412 192 L N 1.072 122.337 121.223 0.069 0.000 2.514 192 L HA 0.102 4.442 4.340 0.001 0.000 0.280 192 L C 0.207 177.139 176.870 0.103 0.000 1.223 192 L CA -0.301 54.568 54.840 0.049 0.000 0.864 192 L CB 0.179 42.248 42.059 0.016 0.000 1.118 192 L HN 0.707 nan 8.230 nan 0.000 0.494 193 L N 5.233 126.486 121.223 0.050 0.000 2.416 193 L HA 0.236 4.577 4.340 0.001 0.000 0.272 193 L C 0.050 176.953 176.870 0.056 0.000 1.161 193 L CA 0.496 55.372 54.840 0.060 0.000 0.845 193 L CB 0.235 42.261 42.059 -0.055 0.000 1.119 193 L HN 0.670 nan 8.230 nan 0.000 0.464 194 K N 2.055 122.503 120.400 0.080 0.000 2.533 194 K HA 0.440 4.761 4.320 0.001 0.000 0.272 194 K C -0.869 175.727 176.600 -0.007 0.000 0.985 194 K CA -0.843 55.421 56.287 -0.039 0.000 0.876 194 K CB 1.358 33.740 32.500 -0.196 0.000 1.452 194 K HN 0.388 nan 8.250 nan 0.000 0.439 195 D N 0.975 121.364 120.400 -0.019 0.000 2.360 195 D HA 0.013 4.654 4.640 0.001 0.000 0.210 195 D C 0.179 176.528 176.300 0.082 0.000 1.047 195 D CA 0.581 54.610 54.000 0.050 0.000 0.854 195 D CB 0.624 41.444 40.800 0.033 0.000 0.936 195 D HN 0.713 nan 8.370 nan 0.000 0.514 196 T N -1.591 112.924 114.554 -0.065 0.000 2.884 196 T HA 0.371 4.721 4.350 0.001 0.000 0.277 196 T C 0.514 174.964 174.700 -0.416 0.000 0.976 196 T CA -0.770 61.261 62.100 -0.116 0.000 0.956 196 T CB 1.943 70.712 68.868 -0.164 0.000 1.113 196 T HN -0.209 nan 8.240 nan 0.000 0.554 197 V N 0.819 120.437 119.914 -0.493 0.000 2.811 197 V HA 0.287 4.407 4.120 0.001 0.000 0.302 197 V C -1.180 174.559 176.094 -0.592 0.000 1.063 197 V CA -0.484 61.387 62.300 -0.715 0.000 1.088 197 V CB -0.170 31.409 31.823 -0.407 0.000 0.982 197 V HN 0.733 nan 8.190 nan 0.000 0.485 198 Y N 3.454 123.394 120.300 -0.600 0.000 2.323 198 Y HA 0.420 4.970 4.550 0.001 0.000 0.331 198 Y C 1.234 176.909 175.900 -0.374 0.000 1.092 198 Y CA -0.052 57.703 58.100 -0.576 0.000 1.150 198 Y CB 1.870 39.672 38.460 -1.097 0.000 1.200 198 Y HN 0.722 nan 8.280 nan 0.000 0.472 199 T N -2.818 111.777 114.554 0.069 0.000 3.145 199 T HA 0.142 4.493 4.350 0.001 0.000 0.281 199 T C -0.497 174.477 174.700 0.456 0.000 1.003 199 T CA -0.450 61.813 62.100 0.273 0.000 0.901 199 T CB -0.251 68.709 68.868 0.154 0.000 1.112 199 T HN 0.657 nan 8.240 nan 0.000 0.535 200 D N 0.323 120.945 120.400 0.369 0.000 2.575 200 D HA 0.564 5.204 4.640 0.001 0.000 0.236 200 D C -1.411 174.985 176.300 0.160 0.000 1.075 200 D CA -0.801 53.379 54.000 0.301 0.000 0.860 200 D CB 2.515 43.421 40.800 0.177 0.000 1.475 200 D HN 0.148 nan 8.370 nan 0.000 0.474 201 F N 0.890 120.639 119.950 -0.334 0.000 2.639 201 F HA 0.247 4.774 4.527 0.000 0.000 0.320 201 F C -1.608 173.943 175.800 -0.415 0.000 1.128 201 F CA -0.651 56.963 58.000 -0.644 0.000 1.037 201 F CB 2.169 40.169 39.000 -1.666 0.000 1.288 201 F HN 0.274 nan 8.300 nan 0.000 0.463 202 D N 3.255 123.009 120.400 -1.076 0.000 2.636 202 D HA 0.258 4.899 4.640 0.001 0.000 0.270 202 D C 0.569 176.324 176.300 -0.909 0.000 1.430 202 D CA 0.369 53.928 54.000 -0.735 0.000 0.796 202 D CB 0.811 41.389 40.800 -0.369 0.000 1.117 202 D HN 0.740 nan 8.370 nan 0.000 0.480 203 G N -0.706 107.021 108.800 -1.787 0.000 2.531 203 G HA2 0.310 4.271 3.960 0.001 0.000 0.253 203 G HA3 0.310 4.271 3.960 0.001 0.000 0.253 203 G C -0.080 174.550 174.900 -0.449 0.000 1.439 203 G CA -0.106 44.395 45.100 -0.997 0.000 1.056 203 G HN 0.089 nan 8.290 nan 0.000 0.555 204 T N 0.147 114.690 114.554 -0.019 0.000 2.729 204 T HA 0.223 4.574 4.350 0.001 0.000 0.296 204 T C 1.466 176.395 174.700 0.382 0.000 0.928 204 T CA -0.314 61.881 62.100 0.158 0.000 1.045 204 T CB 1.721 70.667 68.868 0.130 0.000 0.902 204 T HN 0.537 nan 8.240 nan 0.000 0.500 205 R N 2.976 123.679 120.500 0.337 0.000 2.091 205 R HA -0.109 4.231 4.340 0.001 0.000 0.238 205 R C 2.014 178.493 176.300 0.298 0.000 1.136 205 R CA 1.807 58.120 56.100 0.356 0.000 0.959 205 R CB -0.430 30.046 30.300 0.293 0.000 0.856 205 R HN 0.619 nan 8.270 nan 0.000 0.437 206 V N -2.130 117.959 119.914 0.291 0.000 3.444 206 V HA -0.046 4.074 4.120 0.001 0.000 0.271 206 V C 0.799 177.027 176.094 0.223 0.000 1.188 206 V CA 1.019 63.456 62.300 0.229 0.000 1.168 206 V CB -0.694 31.217 31.823 0.146 0.000 0.810 206 V HN 0.243 nan 8.190 nan 0.000 0.500 207 Y N 1.255 121.700 120.300 0.241 0.000 2.481 207 Y HA 0.403 4.953 4.550 0.000 0.000 0.247 207 Y C 1.553 177.634 175.900 0.302 0.000 1.151 207 Y CA 0.073 58.337 58.100 0.274 0.000 1.238 207 Y CB 0.403 38.981 38.460 0.197 0.000 1.179 207 Y HN 0.408 nan 8.280 nan 0.000 0.524 208 S N 1.736 117.593 115.700 0.261 0.000 2.586 208 S HA 0.478 4.948 4.470 0.001 0.000 0.274 208 S C -2.736 171.666 174.600 -0.330 0.000 1.281 208 S CA -1.549 56.544 58.200 -0.178 0.000 1.035 208 S CB 1.660 64.577 63.200 -0.471 0.000 0.962 208 S HN -0.056 nan 8.310 nan 0.000 0.512 209 P HA 0.316 nan 4.420 nan 0.000 0.279 209 P C -2.125 174.696 177.300 -0.798 0.000 1.252 209 P CA -1.868 60.459 63.100 -1.289 0.000 0.811 209 P CB 0.352 31.588 31.700 -0.773 0.000 1.035 210 P HA -0.187 nan 4.420 nan 0.000 0.218 210 P C 1.369 178.469 177.300 -0.333 0.000 1.148 210 P CA 1.656 64.440 63.100 -0.527 0.000 0.822 210 P CB -0.138 31.272 31.700 -0.484 0.000 0.784 211 E N -0.572 119.502 120.200 -0.210 0.000 2.150 211 E HA -0.190 4.161 4.350 0.001 0.000 0.193 211 E C 2.122 178.786 176.600 0.107 0.000 0.985 211 E CA 0.837 57.258 56.400 0.035 0.000 0.814 211 E CB -1.479 28.338 29.700 0.195 0.000 0.752 211 E HN 0.427 nan 8.360 nan 0.000 0.466 212 W N 2.017 123.256 121.300 -0.103 0.000 2.379 212 W HA -0.128 4.533 4.660 0.001 0.000 0.307 212 W C 1.752 178.276 176.519 0.008 0.000 1.200 212 W CA 0.756 58.076 57.345 -0.042 0.000 1.297 212 W CB -0.020 29.235 29.460 -0.343 0.000 1.140 212 W HN -0.069 nan 8.180 nan 0.000 0.507 213 I N 1.322 121.760 120.570 -0.220 0.000 2.163 213 I HA -0.270 3.900 4.170 0.001 0.000 0.243 213 I C 2.508 178.397 176.117 -0.380 0.000 1.085 213 I CA 1.667 62.800 61.300 -0.278 0.000 1.347 213 I CB -1.404 36.483 38.000 -0.190 0.000 1.044 213 I HN 0.051 nan 8.210 nan 0.000 0.408 214 R N -0.967 119.243 120.500 -0.483 0.000 2.127 214 R HA -0.084 4.256 4.340 0.001 0.000 0.217 214 R C 1.251 177.131 176.300 -0.700 0.000 1.074 214 R CA 1.045 56.713 56.100 -0.720 0.000 0.991 214 R CB 0.148 29.760 30.300 -1.147 0.000 0.895 214 R HN 0.347 nan 8.270 nan 0.000 0.450 215 Y N -2.005 118.170 120.300 -0.207 0.000 2.610 215 Y HA 0.242 4.792 4.550 0.001 0.000 0.254 215 Y C -0.265 175.557 175.900 -0.130 0.000 1.110 215 Y CA -0.811 57.192 58.100 -0.162 0.000 1.238 215 Y CB -0.152 38.274 38.460 -0.057 0.000 1.322 215 Y HN 0.073 nan 8.280 nan 0.000 0.547 216 H N 0.547 119.447 119.070 -0.283 0.000 2.690 216 H HA -0.190 4.366 4.556 0.000 0.000 0.309 216 H C -0.186 175.245 175.328 0.172 0.000 1.138 216 H CA 0.491 56.271 56.048 -0.447 0.000 1.142 216 H CB -0.754 28.696 29.762 -0.520 0.000 1.410 216 H HN 0.329 nan 8.280 nan 0.000 0.409 217 R N 0.721 121.472 120.500 0.419 0.000 2.574 217 R HA 0.456 4.797 4.340 0.001 0.000 0.288 217 R C -1.164 175.403 176.300 0.445 0.000 1.004 217 R CA -0.806 55.501 56.100 0.345 0.000 0.895 217 R CB 1.870 32.288 30.300 0.196 0.000 1.191 217 R HN 0.225 nan 8.270 nan 0.000 0.444 218 Y N -1.611 118.824 120.300 0.225 0.000 2.609 218 Y HA 0.499 5.049 4.550 0.001 0.000 0.336 218 Y C -1.112 174.864 175.900 0.126 0.000 1.129 218 Y CA -1.233 56.979 58.100 0.187 0.000 1.040 218 Y CB 1.351 39.880 38.460 0.115 0.000 1.310 218 Y HN 0.392 nan 8.280 nan 0.000 0.460 219 H N 0.459 119.701 119.070 0.287 0.000 2.533 219 H HA 0.326 4.882 4.556 0.001 0.000 0.343 219 H C 0.572 176.099 175.328 0.332 0.000 1.160 219 H CA -0.146 56.057 56.048 0.259 0.000 1.218 219 H CB 2.280 32.130 29.762 0.147 0.000 1.566 219 H HN 1.099 nan 8.280 nan 0.000 0.522 220 G N 1.874 110.931 108.800 0.428 0.000 2.480 220 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 220 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 220 G C 1.623 176.675 174.900 0.253 0.000 1.200 220 G CA 0.530 45.789 45.100 0.265 0.000 0.782 220 G HN 0.528 nan 8.290 nan 0.000 0.554 221 R N 0.733 121.373 120.500 0.233 0.000 2.073 221 R HA -0.057 4.283 4.340 0.001 0.000 0.234 221 R C 3.147 179.483 176.300 0.060 0.000 1.134 221 R CA 1.782 57.970 56.100 0.146 0.000 0.952 221 R CB -0.452 29.829 30.300 -0.032 0.000 0.850 221 R HN 0.525 nan 8.270 nan 0.000 0.433 222 S N 0.603 116.361 115.700 0.096 0.000 2.402 222 S HA -0.042 4.428 4.470 0.001 0.000 0.229 222 S C 2.210 176.910 174.600 0.167 0.000 1.021 222 S CA 0.858 59.115 58.200 0.095 0.000 0.974 222 S CB -0.133 63.131 63.200 0.106 0.000 0.800 222 S HN 0.366 nan 8.310 nan 0.000 0.484 223 A N 1.929 124.863 122.820 0.190 0.000 1.929 223 A HA 0.435 4.755 4.320 0.001 0.000 0.216 223 A C 2.495 180.184 177.584 0.175 0.000 1.176 223 A CA 1.389 53.504 52.037 0.130 0.000 0.628 223 A CB -1.333 17.669 19.000 0.003 0.000 0.816 223 A HN 0.791 nan 8.150 nan 0.000 0.444 224 A N -0.404 122.537 122.820 0.203 0.000 1.877 224 A HA -0.014 4.306 4.320 0.001 0.000 0.216 224 A C 2.208 179.935 177.584 0.238 0.000 1.186 224 A CA 1.788 53.972 52.037 0.245 0.000 0.620 224 A CB -0.950 18.276 19.000 0.376 0.000 0.822 224 A HN 0.369 nan 8.150 nan 0.000 0.443 225 V N -0.957 119.071 119.914 0.190 0.000 2.343 225 V HA -0.267 3.854 4.120 0.001 0.000 0.247 225 V C 2.260 178.462 176.094 0.180 0.000 1.051 225 V CA 1.792 64.179 62.300 0.145 0.000 1.036 225 V CB -0.956 30.866 31.823 -0.001 0.000 0.654 225 V HN 0.851 nan 8.190 nan 0.000 0.451 226 W N 1.682 123.017 121.300 0.057 0.000 2.318 226 W HA -0.292 4.368 4.660 0.001 0.000 0.313 226 W C 2.801 179.381 176.519 0.102 0.000 1.221 226 W CA 2.821 60.205 57.345 0.066 0.000 1.266 226 W CB -0.594 28.892 29.460 0.044 0.000 1.150 226 W HN 0.511 nan 8.180 nan 0.000 0.496 227 S N 0.641 116.545 115.700 0.340 0.000 2.399 227 S HA -0.222 4.248 4.470 0.001 0.000 0.231 227 S C 2.074 176.816 174.600 0.237 0.000 1.022 227 S CA 1.501 59.899 58.200 0.330 0.000 0.983 227 S CB -1.019 62.388 63.200 0.345 0.000 0.803 227 S HN 0.352 nan 8.310 nan 0.000 0.480 228 L N 1.368 122.712 121.223 0.201 0.000 2.093 228 L HA 0.082 4.423 4.340 0.001 0.000 0.208 228 L C 3.007 180.015 176.870 0.231 0.000 1.085 228 L CA 1.048 56.055 54.840 0.279 0.000 0.755 228 L CB -1.110 41.114 42.059 0.275 0.000 0.904 228 L HN 0.524 nan 8.230 nan 0.000 0.435 229 G N 0.389 109.193 108.800 0.007 0.000 2.418 229 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 229 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 229 G C 1.527 176.264 174.900 -0.270 0.000 1.158 229 G CA 0.454 45.442 45.100 -0.186 0.000 0.771 229 G HN 0.150 nan 8.290 nan 0.000 0.545 230 I N 0.510 120.885 120.570 -0.325 0.000 2.179 230 I HA -0.095 4.076 4.170 0.001 0.000 0.242 230 I C 2.657 178.692 176.117 -0.138 0.000 1.088 230 I CA 0.794 61.871 61.300 -0.370 0.000 1.357 230 I CB -1.164 36.527 38.000 -0.514 0.000 1.051 230 I HN 0.159 nan 8.210 nan 0.000 0.409 231 L N 0.766 122.054 121.223 0.108 0.000 2.042 231 L HA -0.205 4.136 4.340 0.001 0.000 0.210 231 L C 2.355 179.276 176.870 0.084 0.000 1.076 231 L CA 1.651 56.635 54.840 0.239 0.000 0.749 231 L CB -0.747 41.523 42.059 0.352 0.000 0.893 231 L HN 0.157 nan 8.230 nan 0.000 0.432 232 L N -1.592 119.577 121.223 -0.090 0.000 2.056 232 L HA -0.209 4.132 4.340 0.001 0.000 0.207 232 L C 2.365 179.087 176.870 -0.246 0.000 1.078 232 L CA 1.827 56.441 54.840 -0.378 0.000 0.749 232 L CB -1.068 40.431 42.059 -0.934 0.000 0.901 232 L HN 0.449 nan 8.230 nan 0.000 0.433 233 Y N 0.489 120.605 120.300 -0.307 0.000 2.128 233 Y HA -0.320 4.231 4.550 0.001 0.000 0.284 233 Y C 2.423 178.191 175.900 -0.220 0.000 1.154 233 Y CA 2.218 60.139 58.100 -0.297 0.000 1.149 233 Y CB -0.493 37.697 38.460 -0.449 0.000 0.976 233 Y HN 0.489 nan 8.280 nan 0.000 0.505 234 D N -0.436 119.977 120.400 0.022 0.000 2.123 234 D HA -0.247 4.393 4.640 0.001 0.000 0.196 234 D C 2.109 178.391 176.300 -0.030 0.000 0.992 234 D CA 2.116 56.128 54.000 0.020 0.000 0.833 234 D CB -0.231 40.621 40.800 0.086 0.000 0.954 234 D HN 0.455 nan 8.370 nan 0.000 0.455 235 M N -0.316 119.277 119.600 -0.012 0.000 2.086 235 M HA -0.116 4.365 4.480 0.001 0.000 0.261 235 M C 2.292 178.555 176.300 -0.062 0.000 1.067 235 M CA 1.435 56.745 55.300 0.017 0.000 1.116 235 M CB -0.182 32.467 32.600 0.082 0.000 1.348 235 M HN 0.137 nan 8.290 nan 0.000 0.407 236 V N -4.208 115.613 119.914 -0.156 0.000 3.306 236 V HA -0.046 4.075 4.120 0.001 0.000 0.264 236 V C 1.495 177.452 176.094 -0.228 0.000 1.149 236 V CA 0.779 62.976 62.300 -0.172 0.000 1.143 236 V CB -0.686 31.015 31.823 -0.205 0.000 0.767 236 V HN 0.535 nan 8.190 nan 0.000 0.476 237 C N 0.525 119.621 119.300 -0.339 0.000 3.188 237 C HA 0.691 5.151 4.460 0.001 0.000 0.315 237 C C 2.060 176.935 174.990 -0.191 0.000 1.285 237 C CA 0.363 59.165 59.018 -0.360 0.000 1.729 237 C CB -0.132 27.125 27.740 -0.805 0.000 2.257 237 C HN 0.928 nan 8.230 nan 0.000 0.645 238 G N 0.966 109.679 108.800 -0.144 0.000 2.157 238 G HA2 -0.140 3.821 3.960 0.001 0.000 0.248 238 G HA3 -0.140 3.821 3.960 0.001 0.000 0.248 238 G C -0.464 174.394 174.900 -0.070 0.000 0.979 238 G CA 0.569 45.615 45.100 -0.090 0.000 0.650 238 G HN 0.504 nan 8.290 nan 0.000 0.529 239 D N -0.748 119.630 120.400 -0.037 0.000 2.653 239 D HA 0.373 5.014 4.640 0.001 0.000 0.258 239 D C 0.491 176.840 176.300 0.081 0.000 1.252 239 D CA -0.266 53.741 54.000 0.012 0.000 0.777 239 D CB 1.753 42.565 40.800 0.021 0.000 1.339 239 D HN 0.524 nan 8.370 nan 0.000 0.422 240 I N -0.739 119.833 120.570 0.003 0.000 2.696 240 I HA 0.331 4.501 4.170 0.001 0.000 0.284 240 I C -1.528 174.400 176.117 -0.316 0.000 1.129 240 I CA -1.237 59.975 61.300 -0.146 0.000 1.410 240 I CB 0.971 38.832 38.000 -0.232 0.000 1.399 240 I HN 0.130 nan 8.210 nan 0.000 0.579 241 P HA 0.036 nan 4.420 nan 0.000 0.220 241 P C -0.154 176.668 177.300 -0.797 0.000 1.152 241 P CA 1.139 63.441 63.100 -1.331 0.000 0.812 241 P CB 0.064 30.363 31.700 -2.335 0.000 0.792 242 F N -0.202 119.574 119.950 -0.290 0.000 2.495 242 F HA 0.374 4.902 4.527 0.001 0.000 0.327 242 F C 1.440 177.149 175.800 -0.151 0.000 1.103 242 F CA -0.946 56.955 58.000 -0.165 0.000 0.949 242 F CB 1.364 40.315 39.000 -0.082 0.000 1.142 242 F HN -0.297 nan 8.300 nan 0.000 0.457 243 E N 0.585 120.786 120.200 0.000 0.000 2.399 243 E HA 0.078 4.428 4.350 0.001 0.000 0.205 243 E C -0.279 176.146 176.600 -0.292 0.000 0.906 243 E CA 0.436 56.703 56.400 -0.222 0.000 0.998 243 E CB 0.348 29.781 29.700 -0.446 0.000 1.002 243 E HN 0.691 nan 8.360 nan 0.000 0.501 244 H N 0.104 119.224 119.070 0.084 0.000 2.621 244 H HA 0.164 4.720 4.556 0.001 0.000 0.360 244 H C 0.334 175.663 175.328 0.003 0.000 1.163 244 H CA -0.743 55.329 56.048 0.041 0.000 1.194 244 H CB 1.581 31.355 29.762 0.020 0.000 1.649 244 H HN -0.232 nan 8.280 nan 0.000 0.532 245 D N 1.610 122.084 120.400 0.124 0.000 2.116 245 D HA -0.175 4.465 4.640 0.001 0.000 0.193 245 D C 1.439 177.708 176.300 -0.051 0.000 0.998 245 D CA 1.524 55.534 54.000 0.016 0.000 0.836 245 D CB 0.017 40.819 40.800 0.003 0.000 0.951 245 D HN 0.649 nan 8.370 nan 0.000 0.449 246 E N 0.571 120.756 120.200 -0.026 0.000 2.130 246 E HA -0.182 4.169 4.350 0.001 0.000 0.196 246 E C 2.023 178.560 176.600 -0.105 0.000 0.998 246 E CA 1.108 57.469 56.400 -0.065 0.000 0.806 246 E CB -0.097 29.576 29.700 -0.045 0.000 0.738 246 E HN 0.465 nan 8.360 nan 0.000 0.459 247 E N 0.056 120.202 120.200 -0.089 0.000 2.072 247 E HA -0.095 4.256 4.350 0.001 0.000 0.190 247 E C 2.086 178.282 176.600 -0.673 0.000 0.982 247 E CA 0.712 56.993 56.400 -0.198 0.000 0.803 247 E CB -0.067 29.653 29.700 0.033 0.000 0.755 247 E HN 0.255 nan 8.360 nan 0.000 0.453 248 I N 1.034 121.247 120.570 -0.595 0.000 2.226 248 I HA -0.274 3.897 4.170 0.001 0.000 0.245 248 I C 2.327 178.181 176.117 -0.438 0.000 1.100 248 I CA 1.121 62.027 61.300 -0.657 0.000 1.374 248 I CB -0.159 37.706 38.000 -0.225 0.000 1.057 248 I HN 0.097 nan 8.210 nan 0.000 0.413 249 I N 0.193 120.580 120.570 -0.305 0.000 2.286 249 I HA -0.282 3.889 4.170 0.001 0.000 0.248 249 I C 2.749 178.759 176.117 -0.179 0.000 1.115 249 I CA 1.214 62.373 61.300 -0.235 0.000 1.392 249 I CB -0.281 37.601 38.000 -0.197 0.000 1.065 249 I HN 0.168 nan 8.210 nan 0.000 0.418 250 R N 1.023 121.413 120.500 -0.183 0.000 2.115 250 R HA -0.083 4.257 4.340 0.001 0.000 0.226 250 R C 1.571 177.829 176.300 -0.069 0.000 1.100 250 R CA 1.190 57.225 56.100 -0.107 0.000 0.980 250 R CB -0.173 30.076 30.300 -0.085 0.000 0.875 250 R HN 0.416 nan 8.270 nan 0.000 0.445 251 G N 0.507 109.215 108.800 -0.153 0.000 2.168 251 G HA2 -0.345 3.615 3.960 0.001 0.000 0.257 251 G HA3 -0.345 3.615 3.960 0.001 0.000 0.257 251 G C -0.251 174.759 174.900 0.183 0.000 0.997 251 G CA 0.649 45.780 45.100 0.051 0.000 0.708 251 G HN 0.436 nan 8.290 nan 0.000 0.520 252 Q N -0.080 119.811 119.800 0.152 0.000 2.294 252 Q HA 0.543 4.883 4.340 0.001 0.000 0.257 252 Q C 0.121 176.275 176.000 0.257 0.000 0.955 252 Q CA -0.295 55.619 55.803 0.184 0.000 0.936 252 Q CB 1.389 30.204 28.738 0.127 0.000 1.188 252 Q HN 0.285 nan 8.270 nan 0.000 0.420 253 V N 5.519 125.526 119.914 0.155 0.000 2.350 253 V HA 0.384 4.505 4.120 0.001 0.000 0.276 253 V C -0.560 175.564 176.094 0.049 0.000 1.028 253 V CA -0.711 61.571 62.300 -0.030 0.000 0.860 253 V CB 0.353 32.104 31.823 -0.120 0.000 0.990 253 V HN 0.667 nan 8.190 nan 0.000 0.453 254 F N 5.627 125.478 119.950 -0.164 0.000 2.443 254 F HA 0.742 5.270 4.527 0.001 0.000 0.335 254 F C -0.816 174.920 175.800 -0.108 0.000 1.104 254 F CA -1.054 56.926 58.000 -0.033 0.000 1.013 254 F CB 1.260 40.262 39.000 0.004 0.000 1.136 254 F HN 0.352 nan 8.300 nan 0.000 0.470 255 F N 5.602 125.035 119.950 -0.862 0.000 2.415 255 F HA 0.411 4.939 4.527 0.001 0.000 0.348 255 F C 1.072 176.366 175.800 -0.843 0.000 1.119 255 F CA -0.520 57.117 58.000 -0.605 0.000 1.069 255 F CB 1.629 40.382 39.000 -0.411 0.000 1.124 255 F HN 0.533 nan 8.300 nan 0.000 0.472 256 R N 0.339 120.728 120.500 -0.186 0.000 2.265 256 R HA 0.243 4.584 4.340 0.001 0.000 0.194 256 R C -0.058 176.227 176.300 -0.025 0.000 0.931 256 R CA 0.099 56.206 56.100 0.012 0.000 1.032 256 R CB 0.232 30.629 30.300 0.163 0.000 0.980 256 R HN 0.428 nan 8.270 nan 0.000 0.497 257 Q N 1.178 120.939 119.800 -0.064 0.000 2.351 257 Q HA 0.280 4.620 4.340 0.001 0.000 0.273 257 Q C -0.782 175.168 176.000 -0.084 0.000 1.077 257 Q CA -1.010 54.753 55.803 -0.067 0.000 0.843 257 Q CB 1.973 30.654 28.738 -0.093 0.000 1.367 257 Q HN -0.012 nan 8.270 nan 0.000 0.449 258 R N 1.413 121.863 120.500 -0.084 0.000 2.404 258 R HA 0.213 4.554 4.340 0.001 0.000 0.315 258 R C -1.266 174.949 176.300 -0.142 0.000 1.032 258 R CA 0.212 56.248 56.100 -0.106 0.000 0.992 258 R CB -0.459 29.797 30.300 -0.073 0.000 0.959 258 R HN 0.311 nan 8.270 nan 0.000 0.428 259 V N 4.087 123.861 119.914 -0.233 0.000 2.638 259 V HA 0.170 4.290 4.120 0.001 0.000 0.306 259 V C 0.076 175.982 176.094 -0.313 0.000 1.052 259 V CA -0.880 61.236 62.300 -0.306 0.000 0.885 259 V CB 2.115 33.636 31.823 -0.504 0.000 0.999 259 V HN 0.945 nan 8.190 nan 0.000 0.424 260 S N 3.226 118.810 115.700 -0.193 0.000 2.566 260 S HA 0.065 4.536 4.470 0.001 0.000 0.280 260 S C 1.314 175.800 174.600 -0.190 0.000 1.343 260 S CA 0.323 58.449 58.200 -0.123 0.000 1.036 260 S CB 0.982 64.195 63.200 0.021 0.000 0.866 260 S HN 0.707 nan 8.310 nan 0.000 0.526 261 S N 1.529 117.156 115.700 -0.122 0.000 2.383 261 S HA -0.137 4.333 4.470 0.001 0.000 0.229 261 S C 1.797 176.373 174.600 -0.041 0.000 1.030 261 S CA 1.573 59.708 58.200 -0.108 0.000 1.002 261 S CB -0.524 62.638 63.200 -0.064 0.000 0.829 261 S HN 0.843 nan 8.310 nan 0.000 0.467 262 E N -0.119 120.102 120.200 0.035 0.000 2.051 262 E HA -0.178 4.173 4.350 0.001 0.000 0.192 262 E C 2.358 179.011 176.600 0.089 0.000 0.991 262 E CA 1.200 57.714 56.400 0.189 0.000 0.799 262 E CB -0.252 29.644 29.700 0.326 0.000 0.748 262 E HN 0.531 nan 8.360 nan 0.000 0.449 263 C N 1.126 120.258 119.300 -0.279 0.000 2.446 263 C HA -0.129 4.331 4.460 0.001 0.000 0.277 263 C C 2.634 177.313 174.990 -0.517 0.000 1.275 263 C CA 0.936 59.444 59.018 -0.850 0.000 1.727 263 C CB -0.722 26.334 27.740 -1.139 0.000 2.010 263 C HN 0.419 nan 8.230 nan 0.000 0.486 264 Q N -0.876 118.669 119.800 -0.425 0.000 2.096 264 Q HA -0.238 4.102 4.340 0.001 0.000 0.204 264 Q C 2.250 178.206 176.000 -0.073 0.000 0.982 264 Q CA 1.903 57.484 55.803 -0.370 0.000 0.850 264 Q CB -0.573 27.820 28.738 -0.575 0.000 0.901 264 Q HN 0.808 nan 8.270 nan 0.000 0.422 265 H N 0.685 119.702 119.070 -0.089 0.000 2.319 265 H HA -0.160 4.397 4.556 0.001 0.000 0.299 265 H C 2.143 177.508 175.328 0.061 0.000 1.092 265 H CA 1.549 57.617 56.048 0.034 0.000 1.302 265 H CB 0.055 29.889 29.762 0.120 0.000 1.373 265 H HN 0.210 nan 8.280 nan 0.000 0.497 266 L N 1.105 122.299 121.223 -0.049 0.000 2.056 266 L HA -0.108 4.232 4.340 0.001 0.000 0.207 266 L C 2.530 179.332 176.870 -0.114 0.000 1.078 266 L CA 1.294 56.002 54.840 -0.220 0.000 0.749 266 L CB -0.805 40.923 42.059 -0.553 0.000 0.901 266 L HN 0.278 nan 8.230 nan 0.000 0.433 267 I N -0.703 119.768 120.570 -0.164 0.000 2.179 267 I HA -0.309 3.862 4.170 0.001 0.000 0.242 267 I C 2.610 178.696 176.117 -0.051 0.000 1.088 267 I CA 1.340 62.569 61.300 -0.119 0.000 1.357 267 I CB -0.346 37.650 38.000 -0.007 0.000 1.051 267 I HN 0.248 nan 8.210 nan 0.000 0.409 268 R N -0.583 119.921 120.500 0.007 0.000 2.148 268 R HA -0.195 4.145 4.340 0.001 0.000 0.227 268 R C 2.097 178.447 176.300 0.083 0.000 1.103 268 R CA 1.165 57.284 56.100 0.032 0.000 0.983 268 R CB -0.295 30.032 30.300 0.045 0.000 0.874 268 R HN 0.443 nan 8.270 nan 0.000 0.451 269 W N 0.860 122.054 121.300 -0.177 0.000 2.379 269 W HA -0.153 4.507 4.660 0.001 0.000 0.307 269 W C 1.890 178.390 176.519 -0.033 0.000 1.200 269 W CA 0.162 57.433 57.345 -0.122 0.000 1.297 269 W CB -0.848 28.521 29.460 -0.152 0.000 1.140 269 W HN -0.005 nan 8.180 nan 0.000 0.507 270 C N 0.183 119.515 119.300 0.053 0.000 2.422 270 C HA -0.117 4.343 4.460 0.001 0.000 0.279 270 C C 2.339 177.314 174.990 -0.027 0.000 1.305 270 C CA 0.658 59.647 59.018 -0.049 0.000 1.757 270 C CB -1.504 26.199 27.740 -0.062 0.000 1.962 270 C HN 0.108 nan 8.230 nan 0.000 0.499 271 L N 0.959 122.130 121.223 -0.086 0.000 2.728 271 L HA 0.260 4.600 4.340 0.001 0.000 0.235 271 L C 1.124 178.149 176.870 0.259 0.000 1.197 271 L CA -0.460 54.265 54.840 -0.191 0.000 0.992 271 L CB -0.704 41.075 42.059 -0.467 0.000 1.263 271 L HN 0.152 nan 8.230 nan 0.000 0.484 272 A N 0.227 123.220 122.820 0.288 0.000 2.546 272 A HA 0.104 4.424 4.320 0.001 0.000 0.243 272 A C 1.359 179.157 177.584 0.357 0.000 1.063 272 A CA -0.036 52.179 52.037 0.297 0.000 0.757 272 A CB 0.336 19.503 19.000 0.279 0.000 0.991 272 A HN 0.406 nan 8.150 nan 0.000 0.503 273 L N 1.971 123.354 121.223 0.268 0.000 2.046 273 L HA -0.112 4.228 4.340 0.001 0.000 0.208 273 L C 1.392 178.332 176.870 0.118 0.000 1.077 273 L CA 1.191 56.137 54.840 0.177 0.000 0.747 273 L CB -0.279 41.844 42.059 0.106 0.000 0.896 273 L HN 0.689 nan 8.230 nan 0.000 0.432 274 R N 0.276 120.853 120.500 0.129 0.000 2.296 274 R HA 0.079 4.419 4.340 0.001 0.000 0.323 274 R C -1.558 174.816 176.300 0.122 0.000 1.067 274 R CA -1.514 54.652 56.100 0.109 0.000 0.946 274 R CB 0.494 30.852 30.300 0.097 0.000 0.991 274 R HN -0.056 nan 8.270 nan 0.000 0.448 275 P HA -0.258 nan 4.420 nan 0.000 0.216 275 P C 1.133 178.482 177.300 0.082 0.000 1.154 275 P CA 1.565 64.729 63.100 0.106 0.000 0.865 275 P CB 0.219 31.981 31.700 0.103 0.000 0.789 276 S N -2.236 113.503 115.700 0.065 0.000 2.561 276 S HA -0.062 4.408 4.470 0.001 0.000 0.225 276 S C 1.402 176.059 174.600 0.096 0.000 0.977 276 S CA 0.792 59.024 58.200 0.053 0.000 0.926 276 S CB -0.843 62.375 63.200 0.031 0.000 0.769 276 S HN 0.049 nan 8.310 nan 0.000 0.533 277 D N 1.549 122.029 120.400 0.134 0.000 2.347 277 D HA 0.142 4.782 4.640 0.001 0.000 0.213 277 D C 0.651 177.113 176.300 0.270 0.000 0.985 277 D CA 0.240 54.366 54.000 0.210 0.000 0.879 277 D CB 0.048 40.970 40.800 0.204 0.000 0.919 277 D HN 0.496 nan 8.370 nan 0.000 0.526 278 R N 1.476 122.050 120.500 0.123 0.000 2.582 278 R HA 0.253 4.593 4.340 0.001 0.000 0.271 278 R C -2.145 173.977 176.300 -0.297 0.000 1.078 278 R CA -1.284 54.782 56.100 -0.057 0.000 1.127 278 R CB 0.252 30.550 30.300 -0.005 0.000 1.038 278 R HN 0.020 nan 8.270 nan 0.000 0.500 279 P HA -0.012 nan 4.420 nan 0.000 0.272 279 P C -0.275 176.746 177.300 -0.465 0.000 1.223 279 P CA -0.252 62.291 63.100 -0.929 0.000 0.784 279 P CB 0.697 31.459 31.700 -1.565 0.000 0.923 280 T N -0.977 113.382 114.554 -0.326 0.000 2.766 280 T HA 0.130 4.480 4.350 0.001 0.000 0.295 280 T C 1.218 175.779 174.700 -0.232 0.000 1.024 280 T CA -0.209 61.710 62.100 -0.301 0.000 1.018 280 T CB -0.128 68.642 68.868 -0.163 0.000 1.002 280 T HN 0.096 nan 8.240 nan 0.000 0.532 281 F N 0.400 120.269 119.950 -0.135 0.000 2.120 281 F HA -0.008 4.519 4.527 0.001 0.000 0.300 281 F C 2.660 178.381 175.800 -0.133 0.000 1.095 281 F CA 1.570 59.469 58.000 -0.168 0.000 1.249 281 F CB -1.049 37.831 39.000 -0.200 0.000 0.995 281 F HN 0.873 nan 8.300 nan 0.000 0.480 282 E N 0.432 120.689 120.200 0.095 0.000 2.077 282 E HA -0.233 4.118 4.350 0.001 0.000 0.193 282 E C 1.975 178.630 176.600 0.091 0.000 0.989 282 E CA 1.661 58.104 56.400 0.071 0.000 0.800 282 E CB -0.185 29.554 29.700 0.066 0.000 0.746 282 E HN 0.520 nan 8.360 nan 0.000 0.452 283 E N 0.238 120.470 120.200 0.054 0.000 2.106 283 E HA -0.155 4.196 4.350 0.001 0.000 0.192 283 E C 2.202 178.888 176.600 0.144 0.000 0.984 283 E CA 1.109 57.569 56.400 0.101 0.000 0.806 283 E CB -0.056 29.624 29.700 -0.034 0.000 0.750 283 E HN 0.409 nan 8.360 nan 0.000 0.458 284 I N 1.111 121.704 120.570 0.038 0.000 2.179 284 I HA -0.310 3.860 4.170 0.001 0.000 0.242 284 I C 2.418 178.704 176.117 0.282 0.000 1.088 284 I CA 1.321 62.712 61.300 0.152 0.000 1.357 284 I CB -0.233 37.833 38.000 0.110 0.000 1.051 284 I HN 0.102 nan 8.210 nan 0.000 0.409 285 Q N 0.215 120.115 119.800 0.167 0.000 2.297 285 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 285 Q C 1.329 177.549 176.000 0.367 0.000 0.962 285 Q CA 0.776 56.692 55.803 0.188 0.000 0.879 285 Q CB -0.030 28.622 28.738 -0.144 0.000 0.947 285 Q HN 0.479 nan 8.270 nan 0.000 0.462 286 N N -0.079 118.803 118.700 0.304 0.000 2.336 286 N HA -0.035 4.705 4.740 0.001 0.000 0.189 286 N C -0.196 175.509 175.510 0.325 0.000 1.113 286 N CA 0.206 53.427 53.050 0.286 0.000 0.858 286 N CB 0.069 38.688 38.487 0.220 0.000 0.970 286 N HN 0.304 nan 8.380 nan 0.000 0.471 287 H N 1.259 120.531 119.070 0.335 0.000 2.815 287 H HA 0.073 4.630 4.556 0.001 0.000 0.350 287 H C -1.358 174.154 175.328 0.307 0.000 1.080 287 H CA -0.892 55.383 56.048 0.378 0.000 1.433 287 H CB 1.281 31.339 29.762 0.493 0.000 1.432 287 H HN -0.084 nan 8.280 nan 0.000 0.592 288 P HA -0.199 nan 4.420 nan 0.000 0.216 288 P C 0.912 178.386 177.300 0.289 0.000 1.150 288 P CA 1.347 64.491 63.100 0.075 0.000 0.843 288 P CB -0.082 31.570 31.700 -0.081 0.000 0.787 289 W N -0.672 120.884 121.300 0.427 0.000 2.392 289 W HA -0.061 4.599 4.660 0.001 0.000 0.279 289 W C 1.683 178.349 176.519 0.245 0.000 1.225 289 W CA 1.318 58.845 57.345 0.305 0.000 1.233 289 W CB -0.484 29.151 29.460 0.292 0.000 1.122 289 W HN -0.166 nan 8.180 nan 0.000 0.561 290 M N 0.882 120.706 119.600 0.374 0.000 2.561 290 M HA 0.033 4.514 4.480 0.001 0.000 0.238 290 M C 0.232 176.563 176.300 0.052 0.000 1.131 290 M CA 0.694 56.145 55.300 0.251 0.000 1.046 290 M CB -0.736 32.210 32.600 0.576 0.000 1.532 290 M HN -0.174 nan 8.290 nan 0.000 0.497 291 Q N 0.991 120.786 119.800 -0.009 0.000 2.306 291 Q HA 0.117 4.457 4.340 0.001 0.000 0.241 291 Q C 0.083 175.967 176.000 -0.193 0.000 0.948 291 Q CA 0.270 56.024 55.803 -0.080 0.000 0.886 291 Q CB 0.517 29.242 28.738 -0.022 0.000 1.227 291 Q HN 0.261 nan 8.270 nan 0.000 0.457 292 D N -0.723 119.548 120.400 -0.214 0.000 2.775 292 D HA -0.152 4.489 4.640 0.001 0.000 0.235 292 D C -0.281 175.852 176.300 -0.278 0.000 1.120 292 D CA 0.369 54.240 54.000 -0.215 0.000 0.708 292 D CB -1.580 39.126 40.800 -0.156 0.000 1.084 292 D HN 0.312 nan 8.370 nan 0.000 0.434 293 V N 0.368 120.036 119.914 -0.409 0.000 2.740 293 V HA 0.092 4.212 4.120 0.001 0.000 0.303 293 V C 0.914 176.822 176.094 -0.311 0.000 1.054 293 V CA -0.228 61.806 62.300 -0.443 0.000 1.106 293 V CB 0.839 32.175 31.823 -0.813 0.000 0.957 293 V HN 0.189 nan 8.190 nan 0.000 0.486 294 L N 6.599 127.693 121.223 -0.215 0.000 2.397 294 L HA 0.318 4.658 4.340 0.001 0.000 0.271 294 L C 0.174 176.970 176.870 -0.122 0.000 1.148 294 L CA -0.307 54.452 54.840 -0.135 0.000 0.825 294 L CB 0.745 42.761 42.059 -0.071 0.000 1.117 294 L HN 0.528 nan 8.230 nan 0.000 0.456 295 L N 3.626 124.796 121.223 -0.089 0.000 2.467 295 L HA 0.062 4.402 4.340 0.001 0.000 0.270 295 L C -1.353 175.509 176.870 -0.013 0.000 1.205 295 L CA -1.437 53.374 54.840 -0.049 0.000 0.828 295 L CB -0.152 41.884 42.059 -0.037 0.000 1.101 295 L HN 0.420 nan 8.230 nan 0.000 0.479 296 P HA -0.245 nan 4.420 nan 0.000 0.215 296 P C 1.389 178.696 177.300 0.011 0.000 1.163 296 P CA 1.133 64.249 63.100 0.026 0.000 0.894 296 P CB 0.190 31.897 31.700 0.012 0.000 0.791 297 Q N -0.087 119.713 119.800 -0.001 0.000 2.084 297 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 297 Q C 2.066 178.047 176.000 -0.031 0.000 0.978 297 Q CA 1.721 57.521 55.803 -0.005 0.000 0.844 297 Q CB -0.722 28.021 28.738 0.009 0.000 0.898 297 Q HN 0.315 nan 8.270 nan 0.000 0.426 298 E N -1.064 119.121 120.200 -0.026 0.000 2.058 298 E HA -0.184 4.167 4.350 0.001 0.000 0.194 298 E C 1.956 178.537 176.600 -0.030 0.000 0.997 298 E CA 1.631 58.010 56.400 -0.035 0.000 0.801 298 E CB -0.141 29.539 29.700 -0.033 0.000 0.746 298 E HN 0.385 nan 8.360 nan 0.000 0.450 299 T N 1.074 115.631 114.554 0.004 0.000 2.665 299 T HA -0.227 4.123 4.350 0.001 0.000 0.268 299 T C 1.998 176.718 174.700 0.034 0.000 1.035 299 T CA 1.499 63.638 62.100 0.066 0.000 1.151 299 T CB -0.288 68.626 68.868 0.076 0.000 0.862 299 T HN 0.283 nan 8.240 nan 0.000 0.438 300 A N 1.247 124.026 122.820 -0.068 0.000 1.902 300 A HA -0.117 4.203 4.320 0.001 0.000 0.217 300 A C 2.199 179.447 177.584 -0.560 0.000 1.181 300 A CA 1.794 53.681 52.037 -0.249 0.000 0.623 300 A CB -0.607 18.237 19.000 -0.260 0.000 0.818 300 A HN 0.544 nan 8.150 nan 0.000 0.443 301 E N -0.401 119.532 120.200 -0.445 0.000 2.077 301 E HA -0.153 4.198 4.350 0.001 0.000 0.193 301 E C 1.786 178.285 176.600 -0.169 0.000 0.989 301 E CA 1.508 57.732 56.400 -0.293 0.000 0.800 301 E CB -0.221 29.425 29.700 -0.090 0.000 0.746 301 E HN 0.736 nan 8.360 nan 0.000 0.452 302 I N -0.948 119.519 120.570 -0.171 0.000 2.400 302 I HA -0.148 4.022 4.170 0.001 0.000 0.248 302 I C 1.530 177.430 176.117 -0.363 0.000 1.109 302 I CA 1.082 62.217 61.300 -0.275 0.000 1.425 302 I CB 0.021 37.805 38.000 -0.360 0.000 1.094 302 I HN 0.111 nan 8.210 nan 0.000 0.425 303 H N -1.499 117.535 119.070 -0.059 0.000 2.885 303 H HA 0.222 4.778 4.556 0.001 0.000 0.260 303 H C 1.183 176.549 175.328 0.063 0.000 0.985 303 H CA 0.155 56.199 56.048 -0.008 0.000 1.210 303 H CB 0.901 30.641 29.762 -0.037 0.000 1.466 303 H HN 0.034 nan 8.280 nan 0.000 0.493 304 L N -0.715 120.577 121.223 0.116 0.000 2.577 304 L HA 0.164 4.504 4.340 0.001 0.000 0.225 304 L C 0.663 177.657 176.870 0.207 0.000 1.053 304 L CA 0.658 55.602 54.840 0.174 0.000 0.866 304 L CB -0.278 41.860 42.059 0.131 0.000 1.132 304 L HN 0.282 nan 8.230 nan 0.000 0.486 305 H N 0.000 119.122 119.070 0.086 0.000 2.539 305 H HA 0.000 4.556 4.556 0.001 0.000 0.296 305 H CA 0.000 56.082 56.048 0.057 0.000 1.023 305 H CB 0.000 29.783 29.762 0.035 0.000 1.292 305 H HN 0.000 nan 8.280 nan 0.000 0.496