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 2c1t_1_B DATA FIRST_RESID 88 DATA SEQUENCE ELPQMTQQLN SDDMQEQLSA TVKFRQILSR EHRPPIDVVI QAGVVPRLVE DATA SEQUENCE FMRENQPEML QLEAAWALTN IASGTSAQTK VVVDADAVPL FIQLLYTGSV DATA SEQUENCE EVKEQAIWAL GNVAGDSTDY RDYVLQCNAM EPILGLFNSN KPSLIRTATW DATA SEQUENCE TLSNLCRGKK PQPDWSVVSQ ALPTLAKLIY SMDTETLVDA CWAISYLSDG DATA SEQUENCE PQEAIQAVID VRIPKRLVEL LSHESTLVQT PALRAVGNIV TGNDLQTQVV DATA SEQUENCE INAGVLPALR LLLSSPKENI KKEACWTISN ITAGNTEQIQ AVIDANLIPP DATA SEQUENCE LVKLLEVAED KTKKEACWAI SNASSGGLQR PDIIRYLVSQ GCIKPLCDLL DATA SEQUENCE EIADNRIIEV TLDALENILK MGEADKEARG LNINENADFI EKAGGMEKIF DATA SEQUENCE NCQQNENDKI YEKAYKIIET YFG 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 88 E HA 0.000 nan 4.350 nan 0.000 0.291 88 E C 0.000 176.550 176.600 -0.083 0.000 1.382 88 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 88 E CB 0.000 29.655 29.700 -0.076 0.000 0.812 89 L N 1.051 122.236 121.223 -0.064 0.000 2.095 89 L HA 0.095 4.424 4.340 -0.018 0.000 0.204 89 L C -1.176 175.686 176.870 -0.013 0.000 1.080 89 L CA 1.583 56.385 54.840 -0.063 0.000 0.759 89 L CB -0.393 41.662 42.059 -0.007 0.000 0.914 89 L HN 0.111 nan 8.230 nan 0.000 0.439 90 P HA -0.186 nan 4.420 nan 0.000 0.218 90 P C 1.351 178.662 177.300 0.019 0.000 1.148 90 P CA 1.298 64.412 63.100 0.023 0.000 0.822 90 P CB -0.005 31.703 31.700 0.014 0.000 0.784 91 Q N -1.094 118.702 119.800 -0.007 0.000 2.050 91 Q HA -0.126 4.203 4.340 -0.018 0.000 0.202 91 Q C 2.220 178.213 176.000 -0.011 0.000 0.980 91 Q CA 1.498 57.294 55.803 -0.011 0.000 0.840 91 Q CB -0.551 28.170 28.738 -0.029 0.000 0.898 91 Q HN 0.296 nan 8.270 nan 0.000 0.424 92 M N -0.116 119.447 119.600 -0.062 0.000 2.117 92 M HA -0.163 4.307 4.480 -0.018 0.000 0.262 92 M C 2.219 178.592 176.300 0.123 0.000 1.065 92 M CA 1.452 56.691 55.300 -0.102 0.000 1.114 92 M CB -0.392 31.923 32.600 -0.475 0.000 1.361 92 M HN 0.178 nan 8.290 nan 0.000 0.408 93 T N 0.258 114.919 114.554 0.178 0.000 2.720 93 T HA -0.207 4.132 4.350 -0.018 0.000 0.268 93 T C 1.800 176.585 174.700 0.141 0.000 1.037 93 T CA 1.429 63.669 62.100 0.234 0.000 1.144 93 T CB -0.290 68.674 68.868 0.160 0.000 0.864 93 T HN 0.494 nan 8.240 nan 0.000 0.444 94 Q N 0.407 120.262 119.800 0.091 0.000 2.123 94 Q HA -0.077 4.253 4.340 -0.018 0.000 0.199 94 Q C 2.502 178.549 176.000 0.077 0.000 0.966 94 Q CA 0.963 56.806 55.803 0.067 0.000 0.845 94 Q CB -0.166 28.598 28.738 0.043 0.000 0.907 94 Q HN 0.565 nan 8.270 nan 0.000 0.439 95 Q N 0.615 120.464 119.800 0.081 0.000 2.124 95 Q HA -0.185 4.145 4.340 -0.018 0.000 0.202 95 Q C 1.921 178.002 176.000 0.136 0.000 0.977 95 Q CA 0.933 56.787 55.803 0.085 0.000 0.850 95 Q CB 0.023 28.797 28.738 0.061 0.000 0.901 95 Q HN 0.297 nan 8.270 nan 0.000 0.429 96 L N 0.815 122.153 121.223 0.192 0.000 2.376 96 L HA -0.052 4.277 4.340 -0.018 0.000 0.219 96 L C 1.190 178.187 176.870 0.210 0.000 1.133 96 L CA 1.097 56.089 54.840 0.254 0.000 0.816 96 L CB 0.021 42.233 42.059 0.254 0.000 0.933 96 L HN 0.189 nan 8.230 nan 0.000 0.449 97 N N -1.299 117.481 118.700 0.133 0.000 2.280 97 N HA 0.043 4.772 4.740 -0.018 0.000 0.192 97 N C 0.551 176.119 175.510 0.096 0.000 1.109 97 N CA 0.350 53.459 53.050 0.098 0.000 0.855 97 N CB 0.216 38.735 38.487 0.054 0.000 0.974 97 N HN 0.274 nan 8.380 nan 0.000 0.482 98 S N 0.617 116.377 115.700 0.099 0.000 2.568 98 S HA 0.011 4.470 4.470 -0.018 0.000 0.282 98 S C 0.568 175.212 174.600 0.073 0.000 1.338 98 S CA -0.028 58.215 58.200 0.072 0.000 1.045 98 S CB 0.900 64.136 63.200 0.059 0.000 0.873 98 S HN 0.030 nan 8.310 nan 0.000 0.516 99 D N 1.030 121.460 120.400 0.049 0.000 2.349 99 D HA 0.120 4.749 4.640 -0.018 0.000 0.215 99 D C -0.280 176.032 176.300 0.019 0.000 1.016 99 D CA 0.384 54.408 54.000 0.039 0.000 0.870 99 D CB 0.002 40.820 40.800 0.030 0.000 0.917 99 D HN 0.675 nan 8.370 nan 0.000 0.524 100 D N 0.384 120.794 120.400 0.017 0.000 2.339 100 D HA -0.005 4.624 4.640 -0.018 0.000 0.256 100 D C 1.293 177.585 176.300 -0.014 0.000 1.214 100 D CA 0.037 54.038 54.000 0.002 0.000 0.877 100 D CB 0.612 41.416 40.800 0.007 0.000 1.111 100 D HN -0.128 nan 8.370 nan 0.000 0.478 101 M N 2.544 122.123 119.600 -0.036 0.000 2.202 101 M HA -0.180 4.289 4.480 -0.018 0.000 0.262 101 M C 1.678 177.937 176.300 -0.067 0.000 1.063 101 M CA 1.228 56.483 55.300 -0.076 0.000 1.097 101 M CB -0.557 31.998 32.600 -0.075 0.000 1.382 101 M HN 0.492 nan 8.290 nan 0.000 0.413 102 Q N 1.055 120.833 119.800 -0.037 0.000 2.135 102 Q HA -0.159 4.170 4.340 -0.018 0.000 0.204 102 Q C 1.692 177.682 176.000 -0.016 0.000 0.981 102 Q CA 1.726 57.514 55.803 -0.026 0.000 0.856 102 Q CB -0.055 28.674 28.738 -0.015 0.000 0.902 102 Q HN 0.438 nan 8.270 nan 0.000 0.425 103 E N -0.365 119.832 120.200 -0.004 0.000 2.102 103 E HA -0.071 4.268 4.350 -0.018 0.000 0.190 103 E C 2.015 178.640 176.600 0.042 0.000 0.971 103 E CA 0.493 56.904 56.400 0.018 0.000 0.821 103 E CB -0.097 29.619 29.700 0.027 0.000 0.777 103 E HN 0.524 nan 8.360 nan 0.000 0.460 104 Q N 0.740 120.560 119.800 0.033 0.000 2.082 104 Q HA -0.236 4.093 4.340 -0.018 0.000 0.211 104 Q C 2.333 178.344 176.000 0.019 0.000 1.002 104 Q CA 1.746 57.575 55.803 0.043 0.000 0.868 104 Q CB -0.310 28.328 28.738 -0.168 0.000 0.931 104 Q HN 0.128 nan 8.270 nan 0.000 0.414 105 L N -0.047 121.143 121.223 -0.055 0.000 1.994 105 L HA -0.199 4.130 4.340 -0.018 0.000 0.208 105 L C 2.423 179.313 176.870 0.033 0.000 1.071 105 L CA 2.084 56.908 54.840 -0.026 0.000 0.745 105 L CB -0.730 41.304 42.059 -0.042 0.000 0.892 105 L HN 0.109 nan 8.230 nan 0.000 0.431 106 S N -1.057 114.658 115.700 0.025 0.000 2.383 106 S HA -0.215 4.245 4.470 -0.018 0.000 0.229 106 S C 2.055 176.681 174.600 0.042 0.000 1.030 106 S CA 1.314 59.527 58.200 0.022 0.000 1.002 106 S CB -0.415 62.790 63.200 0.010 0.000 0.829 106 S HN 0.642 nan 8.310 nan 0.000 0.467 107 A N 0.305 123.181 122.820 0.093 0.000 1.854 107 A HA -0.020 4.289 4.320 -0.018 0.000 0.214 107 A C 2.353 180.098 177.584 0.269 0.000 1.192 107 A CA 2.046 54.175 52.037 0.152 0.000 0.611 107 A CB -1.536 17.605 19.000 0.235 0.000 0.832 107 A HN 0.540 nan 8.150 nan 0.000 0.442 108 T N -0.231 114.501 114.554 0.297 0.000 2.822 108 T HA -0.113 4.227 4.350 -0.018 0.000 0.270 108 T C 1.732 176.547 174.700 0.191 0.000 1.064 108 T CA 1.593 63.881 62.100 0.313 0.000 1.131 108 T CB -0.286 68.769 68.868 0.310 0.000 0.858 108 T HN 0.157 nan 8.240 nan 0.000 0.483 109 V N 0.401 120.373 119.914 0.097 0.000 2.649 109 V HA 0.006 4.115 4.120 -0.018 0.000 0.248 109 V C 2.375 178.445 176.094 -0.041 0.000 1.054 109 V CA 1.223 63.523 62.300 -0.000 0.000 1.073 109 V CB -0.276 31.539 31.823 -0.014 0.000 0.699 109 V HN 0.303 nan 8.190 nan 0.000 0.463 110 K N -0.176 120.208 120.400 -0.028 0.000 2.062 110 K HA -0.053 4.256 4.320 -0.018 0.000 0.205 110 K C 1.925 178.453 176.600 -0.121 0.000 1.051 110 K CA 1.479 57.700 56.287 -0.109 0.000 0.941 110 K CB -0.315 32.087 32.500 -0.164 0.000 0.719 110 K HN 0.350 nan 8.250 nan 0.000 0.440 111 F N 1.009 120.931 119.950 -0.047 0.000 2.069 111 F HA -0.236 4.280 4.527 -0.018 0.000 0.298 111 F C 2.614 178.362 175.800 -0.087 0.000 1.113 111 F CA 1.342 59.314 58.000 -0.046 0.000 1.214 111 F CB -0.149 38.840 39.000 -0.019 0.000 0.978 111 F HN 0.024 nan 8.300 nan 0.000 0.474 112 R N 0.996 121.538 120.500 0.071 0.000 2.117 112 R HA -0.217 4.112 4.340 -0.018 0.000 0.243 112 R C 1.882 178.032 176.300 -0.250 0.000 1.143 112 R CA 2.001 58.000 56.100 -0.169 0.000 0.968 112 R CB -0.578 29.498 30.300 -0.372 0.000 0.863 112 R HN 0.436 nan 8.270 nan 0.000 0.444 113 Q N -0.035 119.650 119.800 -0.192 0.000 2.137 113 Q HA -0.056 4.274 4.340 -0.018 0.000 0.198 113 Q C 2.208 178.148 176.000 -0.100 0.000 0.960 113 Q CA 1.575 57.272 55.803 -0.177 0.000 0.847 113 Q CB -0.094 28.558 28.738 -0.143 0.000 0.915 113 Q HN 0.535 nan 8.270 nan 0.000 0.448 114 I N -2.274 118.255 120.570 -0.068 0.000 2.439 114 I HA -0.156 4.004 4.170 -0.018 0.000 0.251 114 I C 1.911 178.026 176.117 -0.003 0.000 1.139 114 I CA 0.918 62.196 61.300 -0.037 0.000 1.438 114 I CB -0.331 37.642 38.000 -0.044 0.000 1.085 114 I HN 0.055 nan 8.210 nan 0.000 0.427 115 L N 0.848 122.079 121.223 0.013 0.000 2.131 115 L HA -0.114 4.215 4.340 -0.018 0.000 0.210 115 L C 2.410 179.299 176.870 0.033 0.000 1.092 115 L CA 1.144 56.009 54.840 0.042 0.000 0.759 115 L CB -0.406 41.690 42.059 0.062 0.000 0.903 115 L HN 0.263 nan 8.230 nan 0.000 0.435 116 S N -1.087 114.609 115.700 -0.008 0.000 2.607 116 S HA -0.009 4.450 4.470 -0.018 0.000 0.224 116 S C 0.932 175.535 174.600 0.005 0.000 0.969 116 S CA -0.114 58.097 58.200 0.017 0.000 0.927 116 S CB -0.288 62.900 63.200 -0.022 0.000 0.772 116 S HN 0.253 nan 8.310 nan 0.000 0.533 117 R N 1.709 122.205 120.500 -0.008 0.000 2.504 117 R HA 0.031 4.360 4.340 -0.018 0.000 0.291 117 R C 1.457 177.731 176.300 -0.043 0.000 0.974 117 R CA 0.814 56.899 56.100 -0.026 0.000 1.077 117 R CB 0.227 30.524 30.300 -0.005 0.000 0.926 117 R HN 0.435 nan 8.270 nan 0.000 0.407 118 E N 4.151 124.270 120.200 -0.134 0.000 2.106 118 E HA -0.124 4.215 4.350 -0.018 0.000 0.192 118 E C 0.049 176.540 176.600 -0.182 0.000 0.984 118 E CA 1.249 57.525 56.400 -0.206 0.000 0.806 118 E CB -0.231 29.259 29.700 -0.351 0.000 0.750 118 E HN 0.665 nan 8.360 nan 0.000 0.458 119 H N -0.155 118.928 119.070 0.022 0.000 2.741 119 H HA 0.505 5.050 4.556 -0.018 0.000 0.282 119 H C 0.178 175.519 175.328 0.020 0.000 1.122 119 H CA -0.162 55.898 56.048 0.020 0.000 1.293 119 H CB 1.000 30.771 29.762 0.014 0.000 1.415 119 H HN 0.409 nan 8.280 nan 0.000 0.472 120 R N 1.553 122.136 120.500 0.138 0.000 3.201 120 R HA -0.117 4.212 4.340 -0.018 0.000 0.254 120 R C -2.781 173.560 176.300 0.068 0.000 0.978 120 R CA -0.254 55.899 56.100 0.088 0.000 0.661 120 R CB -2.311 28.035 30.300 0.076 0.000 1.170 120 R HN 0.389 nan 8.270 nan 0.000 0.430 121 P HA -0.015 nan 4.420 nan 0.000 0.263 121 P C -2.238 175.095 177.300 0.054 0.000 1.162 121 P CA -0.618 62.515 63.100 0.054 0.000 0.758 121 P CB 0.323 32.059 31.700 0.061 0.000 0.773 122 P HA 0.210 nan 4.420 nan 0.000 0.226 122 P C 0.705 178.045 177.300 0.065 0.000 1.758 122 P CA 0.100 63.233 63.100 0.054 0.000 0.896 122 P CB -0.429 31.300 31.700 0.049 0.000 1.784 123 I N 0.374 120.981 120.570 0.062 0.000 2.233 123 I HA -0.216 3.943 4.170 -0.018 0.000 0.243 123 I C 1.992 178.142 176.117 0.055 0.000 1.093 123 I CA 1.419 62.758 61.300 0.064 0.000 1.380 123 I CB -0.507 37.530 38.000 0.062 0.000 1.067 123 I HN 0.118 nan 8.210 nan 0.000 0.413 124 D N 1.380 121.808 120.400 0.047 0.000 2.092 124 D HA -0.175 4.454 4.640 -0.018 0.000 0.193 124 D C 2.076 178.400 176.300 0.041 0.000 0.994 124 D CA 1.373 55.396 54.000 0.038 0.000 0.828 124 D CB -1.142 39.677 40.800 0.032 0.000 0.963 124 D HN 0.199 nan 8.370 nan 0.000 0.450 125 V N 0.517 120.460 119.914 0.048 0.000 2.332 125 V HA -0.216 3.893 4.120 -0.018 0.000 0.248 125 V C 2.793 178.935 176.094 0.079 0.000 1.055 125 V CA 1.478 63.811 62.300 0.055 0.000 1.038 125 V CB -0.433 31.422 31.823 0.053 0.000 0.651 125 V HN 0.158 nan 8.190 nan 0.000 0.450 126 V N -0.440 119.536 119.914 0.103 0.000 2.453 126 V HA -0.189 3.920 4.120 -0.018 0.000 0.247 126 V C 2.154 178.277 176.094 0.048 0.000 1.048 126 V CA 1.793 64.182 62.300 0.148 0.000 1.049 126 V CB -0.406 31.530 31.823 0.189 0.000 0.672 126 V HN 0.438 nan 8.190 nan 0.000 0.457 127 I N -0.257 120.329 120.570 0.027 0.000 2.226 127 I HA -0.260 3.899 4.170 -0.018 0.000 0.245 127 I C 2.592 178.708 176.117 -0.002 0.000 1.100 127 I CA 1.375 62.673 61.300 -0.003 0.000 1.374 127 I CB -0.245 37.759 38.000 0.007 0.000 1.057 127 I HN 0.316 nan 8.210 nan 0.000 0.413 128 Q N 0.866 120.677 119.800 0.018 0.000 2.297 128 Q HA 0.024 4.353 4.340 -0.018 0.000 0.204 128 Q C 1.998 178.009 176.000 0.018 0.000 0.962 128 Q CA 1.280 57.092 55.803 0.015 0.000 0.879 128 Q CB -0.277 28.473 28.738 0.020 0.000 0.947 128 Q HN 0.476 nan 8.270 nan 0.000 0.462 129 A N -0.754 122.088 122.820 0.036 0.000 2.259 129 A HA 0.221 4.530 4.320 -0.018 0.000 0.212 129 A C 1.536 179.126 177.584 0.010 0.000 1.178 129 A CA 1.078 53.143 52.037 0.048 0.000 0.734 129 A CB -0.896 18.176 19.000 0.120 0.000 0.774 129 A HN 0.532 nan 8.150 nan 0.000 0.481 130 G N -1.782 107.004 108.800 -0.022 0.000 2.162 130 G HA2 -0.303 3.646 3.960 -0.018 0.000 0.260 130 G HA3 -0.303 3.646 3.960 -0.018 0.000 0.260 130 G C 1.099 175.938 174.900 -0.101 0.000 0.976 130 G CA 0.962 46.032 45.100 -0.050 0.000 0.655 130 G HN 1.631 nan 8.290 nan 0.000 0.533 131 V N -2.182 117.638 119.914 -0.158 0.000 3.406 131 V HA 0.220 4.330 4.120 -0.018 0.000 0.263 131 V C 2.392 178.300 176.094 -0.311 0.000 1.172 131 V CA 1.483 63.615 62.300 -0.281 0.000 1.140 131 V CB -0.072 31.444 31.823 -0.512 0.000 0.784 131 V HN 0.299 nan 8.190 nan 0.000 0.467 132 V N 1.315 121.094 119.914 -0.225 0.000 2.250 132 V HA -0.180 3.929 4.120 -0.018 0.000 0.250 132 V C 0.573 176.551 176.094 -0.194 0.000 1.060 132 V CA 3.236 65.423 62.300 -0.188 0.000 1.030 132 V CB -1.810 29.946 31.823 -0.112 0.000 0.643 132 V HN 0.524 nan 8.190 nan 0.000 0.445 133 P HA -0.166 nan 4.420 nan 0.000 0.216 133 P C 1.650 178.815 177.300 -0.225 0.000 1.150 133 P CA 1.335 64.339 63.100 -0.160 0.000 0.837 133 P CB -0.060 31.569 31.700 -0.118 0.000 0.786 134 R N 0.346 120.668 120.500 -0.297 0.000 2.062 134 R HA -0.040 4.289 4.340 -0.018 0.000 0.231 134 R C 2.204 178.061 176.300 -0.737 0.000 1.136 134 R CA 1.536 57.354 56.100 -0.471 0.000 0.948 134 R CB -1.702 28.327 30.300 -0.452 0.000 0.845 134 R HN 0.108 nan 8.270 nan 0.000 0.430 135 L N -0.182 120.682 121.223 -0.598 0.000 2.129 135 L HA -0.180 4.149 4.340 -0.018 0.000 0.212 135 L C 2.305 179.018 176.870 -0.262 0.000 1.087 135 L CA 1.066 55.624 54.840 -0.470 0.000 0.757 135 L CB -0.493 41.396 42.059 -0.283 0.000 0.896 135 L HN 0.057 nan 8.230 nan 0.000 0.434 136 V N -0.425 119.347 119.914 -0.235 0.000 2.379 136 V HA -0.219 3.890 4.120 -0.018 0.000 0.245 136 V C 2.370 178.398 176.094 -0.110 0.000 1.044 136 V CA 1.513 63.710 62.300 -0.173 0.000 1.036 136 V CB -0.309 31.416 31.823 -0.162 0.000 0.664 136 V HN 0.433 nan 8.190 nan 0.000 0.453 137 E N -0.246 119.883 120.200 -0.117 0.000 2.130 137 E HA -0.224 4.115 4.350 -0.018 0.000 0.196 137 E C 1.955 178.665 176.600 0.182 0.000 0.998 137 E CA 1.303 57.704 56.400 0.001 0.000 0.806 137 E CB -0.154 29.544 29.700 -0.003 0.000 0.738 137 E HN 0.521 nan 8.360 nan 0.000 0.459 138 F N -0.291 119.632 119.950 -0.045 0.000 2.641 138 F HA 0.006 4.522 4.527 -0.018 0.000 0.298 138 F C 1.767 177.552 175.800 -0.025 0.000 1.146 138 F CA 0.747 58.731 58.000 -0.026 0.000 1.464 138 F CB -0.279 38.711 39.000 -0.016 0.000 1.101 138 F HN 0.041 nan 8.300 nan 0.000 0.585 139 M N -1.193 118.481 119.600 0.123 0.000 2.383 139 M HA 0.083 4.553 4.480 -0.018 0.000 0.247 139 M C 0.788 177.099 176.300 0.019 0.000 1.117 139 M CA 0.125 55.448 55.300 0.037 0.000 0.995 139 M CB 0.332 32.883 32.600 -0.081 0.000 1.480 139 M HN -0.224 nan 8.290 nan 0.000 0.485 140 R N 0.539 121.061 120.500 0.036 0.000 2.726 140 R HA 0.067 4.396 4.340 -0.018 0.000 0.272 140 R C 0.854 177.169 176.300 0.025 0.000 1.097 140 R CA -0.030 56.084 56.100 0.023 0.000 1.198 140 R CB 0.551 30.867 30.300 0.027 0.000 1.114 140 R HN 0.235 nan 8.270 nan 0.000 0.550 141 E N 0.858 121.069 120.200 0.018 0.000 2.110 141 E HA -0.206 4.133 4.350 -0.018 0.000 0.193 141 E C 0.610 177.217 176.600 0.011 0.000 0.988 141 E CA 1.608 58.018 56.400 0.016 0.000 0.804 141 E CB -0.145 29.560 29.700 0.008 0.000 0.745 141 E HN 0.559 nan 8.360 nan 0.000 0.458 142 N N 1.221 119.927 118.700 0.010 0.000 2.683 142 N HA -0.044 4.685 4.740 -0.018 0.000 0.256 142 N C -0.544 174.966 175.510 0.000 0.000 1.270 142 N CA 0.219 53.271 53.050 0.005 0.000 0.954 142 N CB 0.300 38.790 38.487 0.005 0.000 1.289 142 N HN -0.066 nan 8.380 nan 0.000 0.508 143 Q N -0.076 119.723 119.800 -0.001 0.000 2.389 143 Q HA 0.441 4.770 4.340 -0.018 0.000 0.277 143 Q C -2.714 173.272 176.000 -0.023 0.000 1.082 143 Q CA -1.941 53.850 55.803 -0.021 0.000 0.810 143 Q CB 1.644 30.376 28.738 -0.010 0.000 1.374 143 Q HN 0.146 nan 8.270 nan 0.000 0.422 144 P HA -0.112 nan 4.420 nan 0.000 0.266 144 P C 0.655 177.949 177.300 -0.009 0.000 1.186 144 P CA 0.429 63.510 63.100 -0.032 0.000 0.767 144 P CB 0.732 32.399 31.700 -0.056 0.000 0.820 145 E N 2.193 122.396 120.200 0.005 0.000 2.110 145 E HA -0.201 4.138 4.350 -0.018 0.000 0.193 145 E C 1.556 178.176 176.600 0.033 0.000 0.988 145 E CA 1.541 57.954 56.400 0.023 0.000 0.804 145 E CB -0.446 29.267 29.700 0.022 0.000 0.745 145 E HN 0.231 nan 8.360 nan 0.000 0.458 146 M N -0.416 119.198 119.600 0.022 0.000 2.419 146 M HA 0.134 4.603 4.480 -0.018 0.000 0.264 146 M C 1.579 177.902 176.300 0.038 0.000 1.082 146 M CA 0.692 56.014 55.300 0.036 0.000 1.119 146 M CB -0.162 32.452 32.600 0.022 0.000 1.398 146 M HN 0.322 nan 8.290 nan 0.000 0.453 147 L N -0.234 120.989 121.223 -0.000 0.000 2.062 147 L HA -0.044 4.286 4.340 -0.018 0.000 0.202 147 L C 2.072 178.974 176.870 0.053 0.000 1.079 147 L CA 1.663 56.487 54.840 -0.027 0.000 0.755 147 L CB -0.966 40.987 42.059 -0.176 0.000 0.913 147 L HN 0.320 nan 8.230 nan 0.000 0.445 148 Q N -0.716 119.115 119.800 0.052 0.000 2.231 148 Q HA -0.328 4.001 4.340 -0.018 0.000 0.217 148 Q C 2.116 178.200 176.000 0.141 0.000 1.013 148 Q CA 2.481 58.342 55.803 0.097 0.000 0.917 148 Q CB -0.700 28.080 28.738 0.071 0.000 0.968 148 Q HN 0.518 nan 8.270 nan 0.000 0.414 149 L N 0.786 122.092 121.223 0.139 0.000 1.988 149 L HA -0.147 4.182 4.340 -0.018 0.000 0.207 149 L C 2.025 179.060 176.870 0.275 0.000 1.071 149 L CA 1.905 56.858 54.840 0.187 0.000 0.744 149 L CB -0.511 41.648 42.059 0.166 0.000 0.893 149 L HN 0.059 nan 8.230 nan 0.000 0.433 150 E N 0.236 120.583 120.200 0.246 0.000 2.110 150 E HA -0.183 4.156 4.350 -0.018 0.000 0.193 150 E C 2.147 178.892 176.600 0.241 0.000 0.988 150 E CA 1.279 57.828 56.400 0.247 0.000 0.804 150 E CB -0.417 29.369 29.700 0.145 0.000 0.745 150 E HN 0.668 nan 8.360 nan 0.000 0.458 151 A N 1.668 124.630 122.820 0.237 0.000 1.858 151 A HA -0.077 4.232 4.320 -0.018 0.000 0.216 151 A C 2.462 180.182 177.584 0.227 0.000 1.190 151 A CA 2.037 54.208 52.037 0.224 0.000 0.617 151 A CB -0.654 18.506 19.000 0.266 0.000 0.827 151 A HN 0.272 nan 8.150 nan 0.000 0.443 152 A N -1.719 121.263 122.820 0.269 0.000 1.933 152 A HA -0.184 4.125 4.320 -0.018 0.000 0.218 152 A C 1.995 179.861 177.584 0.470 0.000 1.175 152 A CA 1.686 53.959 52.037 0.394 0.000 0.628 152 A CB -0.772 18.462 19.000 0.390 0.000 0.814 152 A HN 0.868 nan 8.150 nan 0.000 0.444 153 W N 0.797 122.208 121.300 0.184 0.000 2.418 153 W HA 0.014 4.663 4.660 -0.018 0.000 0.292 153 W C 2.332 178.939 176.519 0.147 0.000 1.213 153 W CA 1.190 58.624 57.345 0.149 0.000 1.283 153 W CB -0.711 28.812 29.460 0.105 0.000 1.119 153 W HN 0.374 nan 8.180 nan 0.000 0.542 154 A N 0.635 123.637 122.820 0.303 0.000 1.873 154 A HA -0.160 4.149 4.320 -0.018 0.000 0.215 154 A C 2.275 179.974 177.584 0.193 0.000 1.186 154 A CA 1.765 53.897 52.037 0.157 0.000 0.616 154 A CB -1.113 17.939 19.000 0.087 0.000 0.823 154 A HN 0.286 nan 8.150 nan 0.000 0.442 155 L N -0.709 120.651 121.223 0.228 0.000 2.131 155 L HA -0.163 4.166 4.340 -0.018 0.000 0.210 155 L C 2.730 179.775 176.870 0.291 0.000 1.092 155 L CA 1.649 56.639 54.840 0.250 0.000 0.759 155 L CB -0.650 41.603 42.059 0.324 0.000 0.903 155 L HN 0.361 nan 8.230 nan 0.000 0.435 156 T N -0.763 113.987 114.554 0.326 0.000 2.777 156 T HA -0.118 4.222 4.350 -0.018 0.000 0.266 156 T C 1.720 176.560 174.700 0.234 0.000 1.040 156 T CA 1.060 63.300 62.100 0.232 0.000 1.141 156 T CB -0.160 68.875 68.868 0.278 0.000 0.868 156 T HN 0.298 nan 8.240 nan 0.000 0.444 157 N N 1.058 119.929 118.700 0.284 0.000 2.289 157 N HA 0.020 4.749 4.740 -0.018 0.000 0.184 157 N C 1.786 177.390 175.510 0.156 0.000 1.016 157 N CA 0.848 54.039 53.050 0.234 0.000 0.872 157 N CB -0.197 38.420 38.487 0.216 0.000 0.973 157 N HN 0.429 nan 8.380 nan 0.000 0.433 158 I N 0.623 121.276 120.570 0.138 0.000 2.277 158 I HA -0.117 4.042 4.170 -0.018 0.000 0.243 158 I C 2.208 178.377 176.117 0.085 0.000 1.094 158 I CA 0.546 61.905 61.300 0.099 0.000 1.393 158 I CB -0.267 37.783 38.000 0.083 0.000 1.078 158 I HN -0.000 nan 8.210 nan 0.000 0.417 159 A N 0.372 123.246 122.820 0.088 0.000 2.070 159 A HA -0.171 4.138 4.320 -0.018 0.000 0.220 159 A C 2.126 179.709 177.584 -0.002 0.000 1.159 159 A CA 1.834 53.898 52.037 0.045 0.000 0.656 159 A CB -0.550 18.461 19.000 0.017 0.000 0.800 159 A HN 0.505 nan 8.150 nan 0.000 0.453 160 S N -1.124 114.585 115.700 0.014 0.000 2.573 160 S HA 0.475 4.934 4.470 -0.018 0.000 0.244 160 S C 0.940 175.571 174.600 0.051 0.000 0.984 160 S CA 0.276 58.468 58.200 -0.013 0.000 1.001 160 S CB -0.226 62.991 63.200 0.028 0.000 0.788 160 S HN 0.557 nan 8.310 nan 0.000 0.456 161 G N 1.713 110.545 108.800 0.053 0.000 3.329 161 G HA2 0.473 4.422 3.960 -0.018 0.000 0.180 161 G HA3 0.473 4.422 3.960 -0.018 0.000 0.180 161 G C 0.234 175.161 174.900 0.044 0.000 1.640 161 G CA 0.183 45.317 45.100 0.058 0.000 1.018 161 G HN 0.589 nan 8.290 nan 0.000 0.581 162 T N -2.334 112.244 114.554 0.041 0.000 2.874 162 T HA 0.345 4.684 4.350 -0.018 0.000 0.281 162 T C 1.601 176.320 174.700 0.031 0.000 0.994 162 T CA 0.671 62.789 62.100 0.030 0.000 1.015 162 T CB 1.417 70.300 68.868 0.025 0.000 1.028 162 T HN 0.428 nan 8.240 nan 0.000 0.523 163 S N 0.708 116.418 115.700 0.017 0.000 2.387 163 S HA -0.170 4.289 4.470 -0.018 0.000 0.230 163 S C 2.255 176.879 174.600 0.039 0.000 1.035 163 S CA 1.539 59.748 58.200 0.014 0.000 1.014 163 S CB -1.185 61.997 63.200 -0.030 0.000 0.836 163 S HN 0.932 nan 8.310 nan 0.000 0.466 164 A N 0.375 123.212 122.820 0.028 0.000 1.968 164 A HA -0.019 4.290 4.320 -0.018 0.000 0.217 164 A C 2.093 179.706 177.584 0.048 0.000 1.169 164 A CA 1.289 53.348 52.037 0.036 0.000 0.638 164 A CB -0.555 18.458 19.000 0.020 0.000 0.812 164 A HN 0.716 nan 8.150 nan 0.000 0.446 165 Q N -0.883 118.945 119.800 0.047 0.000 2.119 165 Q HA -0.093 4.236 4.340 -0.018 0.000 0.201 165 Q C 2.034 178.071 176.000 0.062 0.000 0.972 165 Q CA 1.777 57.609 55.803 0.049 0.000 0.847 165 Q CB -0.364 28.402 28.738 0.047 0.000 0.903 165 Q HN 0.603 nan 8.270 nan 0.000 0.433 166 T N 1.225 115.827 114.554 0.080 0.000 2.788 166 T HA -0.176 4.164 4.350 -0.018 0.000 0.268 166 T C 1.685 176.459 174.700 0.124 0.000 1.044 166 T CA 1.496 63.659 62.100 0.105 0.000 1.139 166 T CB -0.113 68.840 68.868 0.141 0.000 0.867 166 T HN 0.267 nan 8.240 nan 0.000 0.454 167 K N 0.946 121.447 120.400 0.169 0.000 2.148 167 K HA -0.047 4.263 4.320 -0.018 0.000 0.204 167 K C 2.085 178.717 176.600 0.054 0.000 1.050 167 K CA 0.870 57.266 56.287 0.181 0.000 0.942 167 K CB -0.230 32.379 32.500 0.181 0.000 0.724 167 K HN 0.134 nan 8.250 nan 0.000 0.446 168 V N 0.779 120.717 119.914 0.041 0.000 2.307 168 V HA -0.215 3.895 4.120 -0.018 0.000 0.245 168 V C 2.287 178.378 176.094 -0.005 0.000 1.045 168 V CA 1.517 63.822 62.300 0.010 0.000 1.024 168 V CB -0.139 31.689 31.823 0.008 0.000 0.651 168 V HN 0.183 nan 8.190 nan 0.000 0.449 169 V N -0.282 119.641 119.914 0.015 0.000 2.469 169 V HA -0.209 3.900 4.120 -0.018 0.000 0.251 169 V C 2.337 178.432 176.094 0.001 0.000 1.064 169 V CA 1.807 64.125 62.300 0.029 0.000 1.066 169 V CB -0.344 31.537 31.823 0.097 0.000 0.667 169 V HN 0.426 nan 8.190 nan 0.000 0.461 170 V N -0.321 119.554 119.914 -0.064 0.000 2.591 170 V HA -0.130 3.980 4.120 -0.018 0.000 0.249 170 V C 2.061 178.069 176.094 -0.143 0.000 1.053 170 V CA 1.692 63.898 62.300 -0.157 0.000 1.068 170 V CB -0.460 31.061 31.823 -0.503 0.000 0.689 170 V HN 0.527 nan 8.190 nan 0.000 0.462 171 D N 0.665 121.003 120.400 -0.105 0.000 2.277 171 D HA 0.022 4.652 4.640 -0.018 0.000 0.208 171 D C 2.006 178.268 176.300 -0.064 0.000 0.962 171 D CA 1.174 55.121 54.000 -0.087 0.000 0.865 171 D CB -0.011 40.757 40.800 -0.052 0.000 0.939 171 D HN 0.428 nan 8.370 nan 0.000 0.510 172 A N 0.544 123.330 122.820 -0.056 0.000 2.239 172 A HA -0.074 4.235 4.320 -0.018 0.000 0.209 172 A C 0.551 178.104 177.584 -0.052 0.000 1.171 172 A CA 0.571 52.574 52.037 -0.057 0.000 0.768 172 A CB -0.289 18.671 19.000 -0.066 0.000 0.790 172 A HN 0.099 nan 8.150 nan 0.000 0.478 173 D N -3.172 117.209 120.400 -0.032 0.000 2.772 173 D HA -0.213 4.416 4.640 -0.018 0.000 0.233 173 D C 0.906 177.192 176.300 -0.022 0.000 1.143 173 D CA 0.936 54.938 54.000 0.004 0.000 0.700 173 D CB -1.190 39.612 40.800 0.004 0.000 1.076 173 D HN 0.522 nan 8.370 nan 0.000 0.430 174 A N -1.073 121.718 122.820 -0.048 0.000 2.066 174 A HA 0.063 4.372 4.320 -0.018 0.000 0.218 174 A C 2.316 179.817 177.584 -0.140 0.000 1.157 174 A CA 1.174 53.102 52.037 -0.183 0.000 0.670 174 A CB 0.095 18.979 19.000 -0.193 0.000 0.804 174 A HN 0.316 nan 8.150 nan 0.000 0.453 175 V N 0.585 120.556 119.914 0.096 0.000 2.323 175 V HA -0.103 4.006 4.120 -0.018 0.000 0.244 175 V C -0.402 175.740 176.094 0.080 0.000 1.041 175 V CA 2.248 64.664 62.300 0.192 0.000 1.025 175 V CB -1.061 30.854 31.823 0.152 0.000 0.656 175 V HN 0.359 nan 8.190 nan 0.000 0.451 176 P HA -0.122 nan 4.420 nan 0.000 0.219 176 P C 1.642 178.951 177.300 0.016 0.000 1.146 176 P CA 1.426 64.529 63.100 0.006 0.000 0.808 176 P CB -0.029 31.672 31.700 0.003 0.000 0.779 177 L N -3.537 117.662 121.223 -0.041 0.000 2.249 177 L HA 0.049 4.378 4.340 -0.018 0.000 0.207 177 L C 2.247 179.102 176.870 -0.026 0.000 1.090 177 L CA 0.689 55.489 54.840 -0.067 0.000 0.802 177 L CB -0.809 41.159 42.059 -0.151 0.000 0.947 177 L HN -0.085 nan 8.230 nan 0.000 0.453 178 F N 0.647 120.617 119.950 0.034 0.000 2.216 178 F HA -0.221 4.295 4.527 -0.018 0.000 0.300 178 F C 2.358 178.172 175.800 0.024 0.000 1.085 178 F CA 1.095 59.115 58.000 0.033 0.000 1.326 178 F CB -0.057 38.958 39.000 0.024 0.000 1.027 178 F HN -0.025 nan 8.300 nan 0.000 0.497 179 I N 0.027 120.715 120.570 0.198 0.000 2.277 179 I HA -0.266 3.894 4.170 -0.018 0.000 0.243 179 I C 2.611 178.811 176.117 0.138 0.000 1.094 179 I CA 1.203 62.571 61.300 0.113 0.000 1.393 179 I CB -0.531 37.509 38.000 0.068 0.000 1.078 179 I HN 0.177 nan 8.210 nan 0.000 0.417 180 Q N 1.117 121.022 119.800 0.175 0.000 2.364 180 Q HA -0.134 4.195 4.340 -0.018 0.000 0.207 180 Q C 1.932 178.062 176.000 0.216 0.000 0.970 180 Q CA 1.253 57.208 55.803 0.253 0.000 0.888 180 Q CB -0.297 28.529 28.738 0.148 0.000 0.951 180 Q HN 0.512 nan 8.270 nan 0.000 0.469 181 L N 0.498 121.815 121.223 0.156 0.000 2.551 181 L HA -0.008 4.321 4.340 -0.018 0.000 0.228 181 L C 1.895 178.833 176.870 0.114 0.000 1.153 181 L CA 0.259 55.182 54.840 0.138 0.000 0.851 181 L CB -0.062 42.086 42.059 0.148 0.000 0.959 181 L HN 0.291 nan 8.230 nan 0.000 0.451 182 L N -2.314 118.955 121.223 0.077 0.000 2.307 182 L HA -0.102 4.227 4.340 -0.018 0.000 0.211 182 L C 2.106 178.953 176.870 -0.038 0.000 1.099 182 L CA 0.747 55.573 54.840 -0.022 0.000 0.816 182 L CB -0.260 41.728 42.059 -0.118 0.000 0.952 182 L HN 0.176 nan 8.230 nan 0.000 0.455 183 Y N 0.121 120.437 120.300 0.027 0.000 2.153 183 Y HA -0.219 4.320 4.550 -0.018 0.000 0.289 183 Y C 3.121 179.031 175.900 0.017 0.000 1.119 183 Y CA 1.827 59.939 58.100 0.019 0.000 1.116 183 Y CB -0.452 38.019 38.460 0.018 0.000 1.004 183 Y HN 0.195 nan 8.280 nan 0.000 0.501 184 T N -1.804 112.878 114.554 0.213 0.000 2.851 184 T HA 0.110 4.449 4.350 -0.018 0.000 0.262 184 T C 1.368 176.117 174.700 0.082 0.000 1.043 184 T CA 0.518 62.689 62.100 0.117 0.000 1.140 184 T CB -1.036 67.885 68.868 0.088 0.000 0.872 184 T HN 0.226 nan 8.240 nan 0.000 0.446 185 G N 1.714 110.562 108.800 0.081 0.000 2.667 185 G HA2 0.413 4.362 3.960 -0.018 0.000 0.250 185 G HA3 0.413 4.362 3.960 -0.018 0.000 0.250 185 G C 0.359 175.282 174.900 0.039 0.000 1.212 185 G CA -0.051 45.085 45.100 0.059 0.000 0.874 185 G HN 0.744 nan 8.290 nan 0.000 0.561 186 S N -1.158 114.559 115.700 0.029 0.000 2.625 186 S HA 0.095 4.555 4.470 -0.018 0.000 0.258 186 S C 1.506 176.105 174.600 -0.001 0.000 1.256 186 S CA 0.066 58.274 58.200 0.013 0.000 0.983 186 S CB 0.777 63.984 63.200 0.011 0.000 1.032 186 S HN 0.362 nan 8.310 nan 0.000 0.572 187 V N 1.352 121.256 119.914 -0.018 0.000 2.488 187 V HA -0.045 4.064 4.120 -0.018 0.000 0.246 187 V C 2.598 178.655 176.094 -0.060 0.000 1.046 187 V CA 1.990 64.266 62.300 -0.041 0.000 1.053 187 V CB -1.355 30.441 31.823 -0.046 0.000 0.679 187 V HN 0.797 nan 8.190 nan 0.000 0.458 188 E N 0.303 120.467 120.200 -0.060 0.000 2.110 188 E HA -0.161 4.179 4.350 -0.018 0.000 0.193 188 E C 2.093 178.640 176.600 -0.089 0.000 0.988 188 E CA 1.240 57.580 56.400 -0.099 0.000 0.804 188 E CB -0.519 29.132 29.700 -0.082 0.000 0.745 188 E HN 0.432 nan 8.360 nan 0.000 0.458 189 V N 0.886 120.786 119.914 -0.024 0.000 2.453 189 V HA -0.219 3.890 4.120 -0.018 0.000 0.247 189 V C 1.982 178.091 176.094 0.025 0.000 1.048 189 V CA 1.655 63.970 62.300 0.025 0.000 1.049 189 V CB -0.354 31.504 31.823 0.058 0.000 0.672 189 V HN 0.174 nan 8.190 nan 0.000 0.457 190 K N -0.019 120.379 120.400 -0.003 0.000 2.057 190 K HA -0.199 4.110 4.320 -0.018 0.000 0.206 190 K C 2.229 178.806 176.600 -0.038 0.000 1.050 190 K CA 1.579 57.858 56.287 -0.014 0.000 0.935 190 K CB -0.122 32.355 32.500 -0.038 0.000 0.715 190 K HN 0.491 nan 8.250 nan 0.000 0.439 191 E N 0.358 120.513 120.200 -0.075 0.000 2.204 191 E HA -0.187 4.152 4.350 -0.018 0.000 0.194 191 E C 1.949 178.496 176.600 -0.088 0.000 0.989 191 E CA 0.883 57.221 56.400 -0.104 0.000 0.824 191 E CB 0.317 29.916 29.700 -0.168 0.000 0.756 191 E HN 0.202 nan 8.360 nan 0.000 0.477 192 Q N -0.247 119.504 119.800 -0.082 0.000 2.033 192 Q HA -0.040 4.289 4.340 -0.018 0.000 0.196 192 Q C 2.216 178.210 176.000 -0.010 0.000 0.970 192 Q CA 1.269 57.048 55.803 -0.039 0.000 0.828 192 Q CB -0.434 28.298 28.738 -0.010 0.000 0.895 192 Q HN 0.321 nan 8.270 nan 0.000 0.440 193 A N 0.915 123.744 122.820 0.014 0.000 1.978 193 A HA -0.184 4.125 4.320 -0.018 0.000 0.220 193 A C 2.087 179.591 177.584 -0.133 0.000 1.170 193 A CA 1.373 53.364 52.037 -0.078 0.000 0.636 193 A CB -0.576 18.525 19.000 0.169 0.000 0.810 193 A HN 0.326 nan 8.150 nan 0.000 0.448 194 I N -1.451 119.110 120.570 -0.016 0.000 2.353 194 I HA -0.161 3.999 4.170 -0.018 0.000 0.248 194 I C 2.177 178.369 176.117 0.125 0.000 1.119 194 I CA 0.929 62.248 61.300 0.030 0.000 1.417 194 I CB -0.366 37.651 38.000 0.029 0.000 1.078 194 I HN 0.657 nan 8.210 nan 0.000 0.421 195 W N 1.031 122.276 121.300 -0.091 0.000 2.388 195 W HA -0.210 4.439 4.660 -0.018 0.000 0.294 195 W C 2.176 178.666 176.519 -0.049 0.000 1.212 195 W CA 1.262 58.579 57.345 -0.047 0.000 1.271 195 W CB -0.050 29.325 29.460 -0.143 0.000 1.126 195 W HN 0.261 nan 8.180 nan 0.000 0.535 196 A N 0.789 123.483 122.820 -0.210 0.000 1.930 196 A HA -0.166 4.143 4.320 -0.018 0.000 0.217 196 A C 2.044 179.398 177.584 -0.383 0.000 1.175 196 A CA 1.465 53.216 52.037 -0.477 0.000 0.627 196 A CB -1.055 17.310 19.000 -1.057 0.000 0.815 196 A HN 0.367 nan 8.150 nan 0.000 0.443 197 L N -0.964 120.086 121.223 -0.289 0.000 2.313 197 L HA -0.001 4.328 4.340 -0.018 0.000 0.214 197 L C 2.675 179.490 176.870 -0.091 0.000 1.119 197 L CA 0.642 55.392 54.840 -0.151 0.000 0.809 197 L CB -0.398 41.612 42.059 -0.082 0.000 0.933 197 L HN 0.489 nan 8.230 nan 0.000 0.449 198 G N -0.438 108.331 108.800 -0.051 0.000 2.394 198 G HA2 -0.220 3.729 3.960 -0.018 0.000 0.215 198 G HA3 -0.220 3.729 3.960 -0.018 0.000 0.215 198 G C 1.410 176.216 174.900 -0.158 0.000 1.165 198 G CA 0.315 45.384 45.100 -0.052 0.000 0.784 198 G HN 0.274 nan 8.290 nan 0.000 0.535 199 N N 0.278 118.873 118.700 -0.175 0.000 2.216 199 N HA -0.076 4.654 4.740 -0.018 0.000 0.183 199 N C 2.367 177.824 175.510 -0.089 0.000 1.017 199 N CA 0.968 53.904 53.050 -0.190 0.000 0.861 199 N CB -0.025 38.231 38.487 -0.385 0.000 0.986 199 N HN 0.155 nan 8.380 nan 0.000 0.428 200 V N 1.828 121.701 119.914 -0.069 0.000 2.295 200 V HA -0.187 3.922 4.120 -0.018 0.000 0.246 200 V C 2.475 178.623 176.094 0.090 0.000 1.049 200 V CA 1.844 64.167 62.300 0.039 0.000 1.024 200 V CB -0.838 30.986 31.823 0.001 0.000 0.648 200 V HN 0.265 nan 8.190 nan 0.000 0.447 201 A N 0.356 123.174 122.820 -0.004 0.000 1.972 201 A HA -0.072 4.238 4.320 -0.018 0.000 0.219 201 A C 2.286 179.832 177.584 -0.063 0.000 1.169 201 A CA 1.799 53.828 52.037 -0.013 0.000 0.635 201 A CB -0.949 18.006 19.000 -0.076 0.000 0.810 201 A HN 0.562 nan 8.150 nan 0.000 0.446 202 G N -0.835 107.883 108.800 -0.136 0.000 2.712 202 G HA2 -0.066 3.883 3.960 -0.018 0.000 0.212 202 G HA3 -0.066 3.883 3.960 -0.018 0.000 0.212 202 G C 1.080 175.916 174.900 -0.106 0.000 1.142 202 G CA 1.065 46.057 45.100 -0.180 0.000 0.789 202 G HN 0.562 nan 8.290 nan 0.000 0.535 203 D N 0.284 120.662 120.400 -0.036 0.000 2.144 203 D HA -0.023 4.606 4.640 -0.018 0.000 0.199 203 D C 1.464 177.679 176.300 -0.142 0.000 0.984 203 D CA 1.490 55.455 54.000 -0.058 0.000 0.834 203 D CB 0.159 40.963 40.800 0.008 0.000 0.955 203 D HN 0.388 nan 8.370 nan 0.000 0.465 204 S N -3.402 112.211 115.700 -0.146 0.000 2.636 204 S HA 0.249 4.708 4.470 -0.018 0.000 0.268 204 S C 0.898 175.432 174.600 -0.109 0.000 1.159 204 S CA -0.025 58.070 58.200 -0.175 0.000 0.815 204 S CB 0.720 63.738 63.200 -0.303 0.000 1.130 204 S HN 0.079 nan 8.310 nan 0.000 0.471 205 T N -1.488 113.007 114.554 -0.099 0.000 2.915 205 T HA -0.004 4.336 4.350 -0.018 0.000 0.269 205 T C 0.836 175.532 174.700 -0.007 0.000 1.071 205 T CA 1.890 63.957 62.100 -0.055 0.000 1.132 205 T CB -0.895 67.941 68.868 -0.054 0.000 0.878 205 T HN 0.566 nan 8.240 nan 0.000 0.479 206 D N 0.266 120.655 120.400 -0.020 0.000 2.149 206 D HA 0.045 4.674 4.640 -0.018 0.000 0.201 206 D C 1.758 178.200 176.300 0.237 0.000 0.972 206 D CA 0.975 55.012 54.000 0.063 0.000 0.835 206 D CB -0.366 40.440 40.800 0.010 0.000 0.966 206 D HN 0.572 nan 8.370 nan 0.000 0.476 207 Y N 0.406 120.722 120.300 0.027 0.000 2.293 207 Y HA -0.121 4.418 4.550 -0.018 0.000 0.291 207 Y C 2.605 178.563 175.900 0.096 0.000 1.137 207 Y CA 0.332 58.483 58.100 0.086 0.000 1.202 207 Y CB 0.067 38.553 38.460 0.042 0.000 0.990 207 Y HN -0.095 nan 8.280 nan 0.000 0.537 208 R N 0.999 121.605 120.500 0.177 0.000 2.080 208 R HA -0.193 4.136 4.340 -0.018 0.000 0.236 208 R C 1.413 177.763 176.300 0.084 0.000 1.137 208 R CA 2.212 58.358 56.100 0.078 0.000 0.943 208 R CB -0.305 30.000 30.300 0.008 0.000 0.846 208 R HN 0.264 nan 8.270 nan 0.000 0.431 209 D N -0.453 120.009 120.400 0.103 0.000 2.178 209 D HA -0.181 4.448 4.640 -0.018 0.000 0.201 209 D C 1.613 177.989 176.300 0.126 0.000 0.980 209 D CA 1.002 55.058 54.000 0.094 0.000 0.842 209 D CB -0.371 40.484 40.800 0.091 0.000 0.948 209 D HN 0.331 nan 8.370 nan 0.000 0.472 210 Y N 1.554 121.885 120.300 0.051 0.000 2.200 210 Y HA -0.183 4.356 4.550 -0.018 0.000 0.290 210 Y C 2.124 178.033 175.900 0.015 0.000 1.137 210 Y CA 0.980 59.101 58.100 0.034 0.000 1.163 210 Y CB -0.370 38.112 38.460 0.037 0.000 0.988 210 Y HN -0.219 nan 8.280 nan 0.000 0.518 211 V N 0.632 120.474 119.914 -0.119 0.000 2.407 211 V HA -0.313 3.796 4.120 -0.018 0.000 0.248 211 V C 2.446 178.442 176.094 -0.163 0.000 1.055 211 V CA 2.006 64.176 62.300 -0.217 0.000 1.049 211 V CB -0.709 31.072 31.823 -0.070 0.000 0.662 211 V HN 0.452 nan 8.190 nan 0.000 0.455 212 L N -0.895 120.281 121.223 -0.079 0.000 2.072 212 L HA -0.207 4.123 4.340 -0.018 0.000 0.205 212 L C 2.616 179.451 176.870 -0.059 0.000 1.079 212 L CA 1.490 56.297 54.840 -0.054 0.000 0.752 212 L CB -0.592 41.455 42.059 -0.019 0.000 0.906 212 L HN 0.298 nan 8.230 nan 0.000 0.436 213 Q N -0.731 119.037 119.800 -0.054 0.000 2.135 213 Q HA -0.207 4.122 4.340 -0.018 0.000 0.204 213 Q C 1.984 177.935 176.000 -0.082 0.000 0.981 213 Q CA 1.516 57.296 55.803 -0.039 0.000 0.856 213 Q CB -0.212 28.536 28.738 0.015 0.000 0.902 213 Q HN 0.530 nan 8.270 nan 0.000 0.425 214 C N 1.707 120.894 119.300 -0.188 0.000 2.460 214 C HA 0.070 4.519 4.460 -0.018 0.000 0.322 214 C C -0.045 174.889 174.990 -0.094 0.000 1.333 214 C CA -0.507 58.401 59.018 -0.184 0.000 1.631 214 C CB -1.922 25.610 27.740 -0.348 0.000 1.672 214 C HN 0.513 nan 8.230 nan 0.000 0.596 215 N N 0.057 118.721 118.700 -0.060 0.000 2.725 215 N HA -0.214 4.515 4.740 -0.018 0.000 0.251 215 N C 0.757 176.259 175.510 -0.014 0.000 1.031 215 N CA 0.976 54.015 53.050 -0.019 0.000 0.720 215 N CB -1.078 37.417 38.487 0.013 0.000 0.930 215 N HN 0.711 nan 8.380 nan 0.000 0.543 216 A N -0.547 122.247 122.820 -0.044 0.000 2.119 216 A HA 0.004 4.313 4.320 -0.018 0.000 0.216 216 A C 2.208 179.763 177.584 -0.047 0.000 1.152 216 A CA 1.242 53.251 52.037 -0.047 0.000 0.708 216 A CB -0.070 18.899 19.000 -0.052 0.000 0.805 216 A HN 0.295 nan 8.150 nan 0.000 0.460 217 M N 0.300 119.879 119.600 -0.035 0.000 2.117 217 M HA -0.114 4.356 4.480 -0.018 0.000 0.262 217 M C 1.781 178.064 176.300 -0.029 0.000 1.065 217 M CA 2.028 57.310 55.300 -0.029 0.000 1.114 217 M CB -0.582 31.995 32.600 -0.038 0.000 1.361 217 M HN 0.570 nan 8.290 nan 0.000 0.408 218 E N -0.163 120.022 120.200 -0.025 0.000 2.023 218 E HA -0.198 4.141 4.350 -0.018 0.000 0.196 218 E C -0.840 175.706 176.600 -0.090 0.000 1.003 218 E CA 1.878 58.270 56.400 -0.014 0.000 0.809 218 E CB -1.030 28.701 29.700 0.053 0.000 0.755 218 E HN 0.373 nan 8.360 nan 0.000 0.449 219 P HA -0.121 nan 4.420 nan 0.000 0.218 219 P C 1.513 178.675 177.300 -0.229 0.000 1.149 219 P CA 1.140 63.945 63.100 -0.492 0.000 0.817 219 P CB -0.131 31.078 31.700 -0.818 0.000 0.785 220 I N -0.716 119.793 120.570 -0.102 0.000 2.252 220 I HA -0.206 3.953 4.170 -0.018 0.000 0.245 220 I C 2.531 178.737 176.117 0.149 0.000 1.102 220 I CA 1.188 62.492 61.300 0.008 0.000 1.385 220 I CB -0.598 37.437 38.000 0.058 0.000 1.064 220 I HN -0.162 nan 8.210 nan 0.000 0.414 221 L N 0.258 121.573 121.223 0.152 0.000 2.083 221 L HA -0.126 4.203 4.340 -0.018 0.000 0.209 221 L C 2.709 179.720 176.870 0.234 0.000 1.083 221 L CA 1.371 56.356 54.840 0.242 0.000 0.752 221 L CB -1.307 40.792 42.059 0.066 0.000 0.899 221 L HN 0.330 nan 8.230 nan 0.000 0.433 222 G N 0.940 109.788 108.800 0.080 0.000 2.513 222 G HA2 -0.286 3.663 3.960 -0.018 0.000 0.219 222 G HA3 -0.286 3.663 3.960 -0.018 0.000 0.219 222 G C 1.549 176.464 174.900 0.026 0.000 1.160 222 G CA 1.001 46.122 45.100 0.035 0.000 0.767 222 G HN 0.334 nan 8.290 nan 0.000 0.571 223 L N -0.722 120.478 121.223 -0.039 0.000 2.353 223 L HA 0.064 4.393 4.340 -0.018 0.000 0.220 223 L C 2.251 178.981 176.870 -0.235 0.000 1.133 223 L CA 0.291 55.033 54.840 -0.165 0.000 0.798 223 L CB -0.382 41.498 42.059 -0.298 0.000 0.922 223 L HN 0.104 nan 8.230 nan 0.000 0.445 224 F N 0.093 120.039 119.950 -0.008 0.000 2.748 224 F HA -0.052 4.466 4.527 -0.016 0.000 0.299 224 F C 1.742 177.544 175.800 0.003 0.000 1.154 224 F CA 0.639 58.640 58.000 0.002 0.000 1.446 224 F CB -0.779 38.225 39.000 0.006 0.000 1.112 224 F HN 0.163 nan 8.300 nan 0.000 0.584 225 N N -0.725 118.041 118.700 0.110 0.000 2.521 225 N HA -0.112 4.617 4.740 -0.018 0.000 0.188 225 N C 1.906 177.430 175.510 0.023 0.000 1.146 225 N CA 0.680 53.768 53.050 0.063 0.000 0.893 225 N CB -0.060 38.457 38.487 0.049 0.000 0.975 225 N HN 0.162 nan 8.380 nan 0.000 0.451 226 S N 0.743 116.436 115.700 -0.012 0.000 2.461 226 S HA -0.147 4.312 4.470 -0.018 0.000 0.228 226 S C 0.913 175.502 174.600 -0.019 0.000 1.005 226 S CA 0.233 58.414 58.200 -0.032 0.000 0.942 226 S CB -0.364 62.792 63.200 -0.074 0.000 0.776 226 S HN 0.439 nan 8.310 nan 0.000 0.514 227 N N 0.341 119.039 118.700 -0.003 0.000 2.710 227 N HA -0.227 4.502 4.740 -0.018 0.000 0.249 227 N C -0.751 174.751 175.510 -0.013 0.000 1.059 227 N CA 0.676 53.727 53.050 0.002 0.000 0.720 227 N CB -0.689 37.803 38.487 0.008 0.000 0.983 227 N HN 0.464 nan 8.380 nan 0.000 0.544 228 K N 0.408 120.790 120.400 -0.030 0.000 2.425 228 K HA 0.429 4.738 4.320 -0.018 0.000 0.259 228 K C -2.077 174.495 176.600 -0.046 0.000 0.978 228 K CA -2.173 54.090 56.287 -0.041 0.000 0.883 228 K CB 1.547 34.013 32.500 -0.056 0.000 1.110 228 K HN -0.198 nan 8.250 nan 0.000 0.436 229 P HA -0.197 nan 4.420 nan 0.000 0.215 229 P C 0.802 178.076 177.300 -0.043 0.000 1.153 229 P CA 1.377 64.463 63.100 -0.024 0.000 0.853 229 P CB 0.227 31.917 31.700 -0.017 0.000 0.788 230 S N -1.057 114.602 115.700 -0.068 0.000 2.423 230 S HA -0.121 4.338 4.470 -0.018 0.000 0.231 230 S C 1.848 176.381 174.600 -0.112 0.000 1.014 230 S CA 0.899 59.040 58.200 -0.098 0.000 0.965 230 S CB -1.374 61.751 63.200 -0.125 0.000 0.785 230 S HN 0.017 nan 8.310 nan 0.000 0.495 231 L N 0.996 122.152 121.223 -0.112 0.000 2.131 231 L HA 0.388 4.718 4.340 -0.018 0.000 0.206 231 L C 2.079 178.850 176.870 -0.165 0.000 1.087 231 L CA 1.208 55.966 54.840 -0.136 0.000 0.767 231 L CB -0.509 41.466 42.059 -0.139 0.000 0.917 231 L HN 0.316 nan 8.230 nan 0.000 0.441 232 I N -0.613 119.871 120.570 -0.143 0.000 2.315 232 I HA -0.230 3.929 4.170 -0.018 0.000 0.248 232 I C 2.706 178.820 176.117 -0.006 0.000 1.117 232 I CA 1.074 62.286 61.300 -0.146 0.000 1.404 232 I CB -0.287 37.704 38.000 -0.014 0.000 1.071 232 I HN 0.279 nan 8.210 nan 0.000 0.419 233 R N 0.349 120.854 120.500 0.010 0.000 2.081 233 R HA -0.149 4.181 4.340 -0.018 0.000 0.235 233 R C 2.131 178.493 176.300 0.103 0.000 1.131 233 R CA 1.964 58.100 56.100 0.060 0.000 0.960 233 R CB -0.192 30.107 30.300 -0.000 0.000 0.856 233 R HN 0.249 nan 8.270 nan 0.000 0.436 234 T N 0.288 114.864 114.554 0.037 0.000 2.896 234 T HA 0.028 4.367 4.350 -0.018 0.000 0.263 234 T C 1.743 176.582 174.700 0.232 0.000 1.050 234 T CA 1.048 63.215 62.100 0.111 0.000 1.140 234 T CB -0.084 68.775 68.868 -0.013 0.000 0.877 234 T HN 0.403 nan 8.240 nan 0.000 0.457 235 A N 1.232 124.096 122.820 0.073 0.000 1.969 235 A HA -0.069 4.241 4.320 -0.018 0.000 0.218 235 A C 2.482 180.255 177.584 0.316 0.000 1.169 235 A CA 1.690 53.760 52.037 0.056 0.000 0.635 235 A CB -1.029 17.721 19.000 -0.416 0.000 0.810 235 A HN 0.435 nan 8.150 nan 0.000 0.445 236 T N -1.773 113.005 114.554 0.373 0.000 2.812 236 T HA -0.159 4.180 4.350 -0.018 0.000 0.264 236 T C 1.446 176.350 174.700 0.340 0.000 1.042 236 T CA 1.326 63.669 62.100 0.406 0.000 1.140 236 T CB -0.291 68.787 68.868 0.350 0.000 0.870 236 T HN 0.730 nan 8.240 nan 0.000 0.445 237 W N 1.952 123.357 121.300 0.176 0.000 2.333 237 W HA -0.211 4.439 4.660 -0.016 0.000 0.316 237 W C 2.411 179.016 176.519 0.143 0.000 1.215 237 W CA 1.803 59.250 57.345 0.171 0.000 1.278 237 W CB -0.864 28.728 29.460 0.219 0.000 1.154 237 W HN 0.094 nan 8.180 nan 0.000 0.486 238 T N 1.343 116.084 114.554 0.311 0.000 2.684 238 T HA -0.277 4.062 4.350 -0.018 0.000 0.267 238 T C 1.673 176.370 174.700 -0.006 0.000 1.036 238 T CA 1.804 63.943 62.100 0.065 0.000 1.148 238 T CB -0.876 68.106 68.868 0.190 0.000 0.863 238 T HN 0.129 nan 8.240 nan 0.000 0.436 239 L N 1.746 123.033 121.223 0.107 0.000 2.042 239 L HA -0.127 4.202 4.340 -0.018 0.000 0.210 239 L C 2.682 179.582 176.870 0.049 0.000 1.076 239 L CA 2.300 57.193 54.840 0.089 0.000 0.749 239 L CB -1.002 41.150 42.059 0.154 0.000 0.893 239 L HN 0.383 nan 8.230 nan 0.000 0.432 240 S N -0.695 115.037 115.700 0.053 0.000 2.370 240 S HA -0.221 4.238 4.470 -0.018 0.000 0.226 240 S C 1.891 176.532 174.600 0.068 0.000 1.033 240 S CA 1.520 59.778 58.200 0.097 0.000 1.011 240 S CB -0.811 62.447 63.200 0.095 0.000 0.852 240 S HN 0.581 nan 8.310 nan 0.000 0.457 241 N N 1.893 120.489 118.700 -0.174 0.000 2.309 241 N HA 0.118 4.847 4.740 -0.018 0.000 0.182 241 N C 1.642 177.066 175.510 -0.144 0.000 1.018 241 N CA 1.065 53.965 53.050 -0.251 0.000 0.876 241 N CB -0.682 37.526 38.487 -0.465 0.000 0.972 241 N HN 0.475 nan 8.380 nan 0.000 0.434 242 L N -0.449 120.727 121.223 -0.080 0.000 2.265 242 L HA -0.110 4.219 4.340 -0.018 0.000 0.215 242 L C 1.675 178.541 176.870 -0.007 0.000 1.117 242 L CA 0.592 55.408 54.840 -0.039 0.000 0.782 242 L CB -0.224 41.823 42.059 -0.020 0.000 0.914 242 L HN 0.208 nan 8.230 nan 0.000 0.441 243 C N -1.302 118.025 119.300 0.045 0.000 2.634 243 C HA 0.061 4.510 4.460 -0.018 0.000 0.268 243 C C 1.695 176.704 174.990 0.032 0.000 1.322 243 C CA -0.582 58.503 59.018 0.112 0.000 1.737 243 C CB -0.767 27.124 27.740 0.251 0.000 1.976 243 C HN 0.336 nan 8.230 nan 0.000 0.547 244 R N 1.201 121.595 120.500 -0.178 0.000 2.539 244 R HA 0.460 4.789 4.340 -0.018 0.000 0.275 244 R C 0.029 176.098 176.300 -0.384 0.000 1.077 244 R CA 1.247 56.928 56.100 -0.697 0.000 1.097 244 R CB 0.098 29.904 30.300 -0.824 0.000 1.018 244 R HN 0.450 nan 8.270 nan 0.000 0.483 245 G N 2.566 111.137 108.800 -0.383 0.000 3.355 245 G HA2 -0.145 3.804 3.960 -0.018 0.000 0.686 245 G HA3 -0.145 3.804 3.960 -0.018 0.000 0.686 245 G C -0.309 174.532 174.900 -0.098 0.000 1.097 245 G CA -0.157 44.821 45.100 -0.204 0.000 0.881 245 G HN 0.703 nan 8.290 nan 0.000 0.550 246 K N 0.305 120.663 120.400 -0.070 0.000 2.370 246 K HA 0.143 4.453 4.320 -0.018 0.000 0.194 246 K C 0.835 177.419 176.600 -0.026 0.000 1.070 246 K CA 0.783 57.054 56.287 -0.028 0.000 0.998 246 K CB 0.003 32.491 32.500 -0.019 0.000 0.911 246 K HN 0.543 nan 8.250 nan 0.000 0.533 247 K N 2.174 122.552 120.400 -0.038 0.000 2.592 247 K HA 0.323 4.632 4.320 -0.018 0.000 0.212 247 K C -2.771 173.808 176.600 -0.034 0.000 1.013 247 K CA -1.435 54.833 56.287 -0.031 0.000 1.034 247 K CB 1.412 33.893 32.500 -0.032 0.000 1.292 247 K HN -0.078 nan 8.250 nan 0.000 0.521 248 P HA 0.194 nan 4.420 nan 0.000 0.283 248 P C -0.493 176.804 177.300 -0.005 0.000 1.271 248 P CA -0.604 62.490 63.100 -0.010 0.000 0.841 248 P CB 0.902 32.602 31.700 -0.000 0.000 1.122 249 Q N 0.781 120.587 119.800 0.011 0.000 2.421 249 Q HA 0.208 4.537 4.340 -0.018 0.000 0.255 249 Q C -1.836 174.195 176.000 0.051 0.000 1.013 249 Q CA -1.013 54.810 55.803 0.034 0.000 0.895 249 Q CB -0.289 28.480 28.738 0.052 0.000 1.271 249 Q HN 0.425 nan 8.270 nan 0.000 0.460 250 P HA -0.016 nan 4.420 nan 0.000 0.276 250 P C -0.489 176.882 177.300 0.117 0.000 1.261 250 P CA -0.396 62.746 63.100 0.071 0.000 0.800 250 P CB 0.420 32.155 31.700 0.057 0.000 1.066 251 D N 0.902 121.358 120.400 0.093 0.000 2.389 251 D HA -0.109 4.520 4.640 -0.018 0.000 0.263 251 D C 1.058 177.443 176.300 0.141 0.000 1.255 251 D CA -0.044 54.021 54.000 0.108 0.000 0.914 251 D CB -0.085 40.749 40.800 0.057 0.000 1.116 251 D HN 0.428 nan 8.370 nan 0.000 0.502 252 W N 3.884 125.189 121.300 0.009 0.000 2.402 252 W HA -0.210 4.448 4.660 -0.002 0.000 0.286 252 W C 1.486 178.011 176.519 0.009 0.000 1.221 252 W CA 1.287 58.639 57.345 0.010 0.000 1.257 252 W CB -0.113 29.353 29.460 0.010 0.000 1.120 252 W HN 0.545 nan 8.180 nan 0.000 0.551 253 S N 0.214 115.880 115.700 -0.058 0.000 2.423 253 S HA -0.157 4.302 4.470 -0.018 0.000 0.231 253 S C 1.652 176.128 174.600 -0.208 0.000 1.014 253 S CA 1.389 59.498 58.200 -0.150 0.000 0.965 253 S CB -0.661 62.538 63.200 -0.002 0.000 0.785 253 S HN 0.071 nan 8.310 nan 0.000 0.495 254 V N 2.137 121.957 119.914 -0.156 0.000 2.379 254 V HA -0.032 4.077 4.120 -0.018 0.000 0.243 254 V C 2.755 178.721 176.094 -0.213 0.000 1.035 254 V CA 1.254 63.467 62.300 -0.145 0.000 1.035 254 V CB -0.492 31.288 31.823 -0.072 0.000 0.673 254 V HN 0.601 nan 8.190 nan 0.000 0.457 255 V N -0.247 119.523 119.914 -0.239 0.000 2.719 255 V HA -0.087 4.022 4.120 -0.018 0.000 0.252 255 V C 2.466 178.328 176.094 -0.387 0.000 1.065 255 V CA 1.675 63.845 62.300 -0.216 0.000 1.086 255 V CB -0.939 30.834 31.823 -0.084 0.000 0.700 255 V HN 0.607 nan 8.190 nan 0.000 0.467 256 S N 0.647 115.876 115.700 -0.786 0.000 2.442 256 S HA -0.259 4.200 4.470 -0.018 0.000 0.236 256 S C 1.845 176.170 174.600 -0.458 0.000 1.007 256 S CA 1.531 59.157 58.200 -0.956 0.000 0.965 256 S CB -0.822 61.365 63.200 -1.688 0.000 0.773 256 S HN 0.757 nan 8.310 nan 0.000 0.504 257 Q N 0.676 120.275 119.800 -0.335 0.000 2.508 257 Q HA 0.151 4.480 4.340 -0.018 0.000 0.214 257 Q C 2.033 177.937 176.000 -0.160 0.000 0.979 257 Q CA 0.999 56.683 55.803 -0.198 0.000 0.911 257 Q CB -0.370 28.280 28.738 -0.146 0.000 0.969 257 Q HN 0.833 nan 8.270 nan 0.000 0.504 258 A N 0.024 122.739 122.820 -0.175 0.000 2.267 258 A HA 0.101 4.410 4.320 -0.018 0.000 0.213 258 A C 1.791 179.288 177.584 -0.145 0.000 1.192 258 A CA -0.105 51.839 52.037 -0.155 0.000 0.851 258 A CB -0.044 18.876 19.000 -0.134 0.000 0.881 258 A HN 0.245 nan 8.150 nan 0.000 0.494 259 L N 0.010 121.158 121.223 -0.124 0.000 2.013 259 L HA -0.151 4.178 4.340 -0.018 0.000 0.212 259 L C -0.487 176.343 176.870 -0.067 0.000 1.073 259 L CA 1.767 56.562 54.840 -0.075 0.000 0.753 259 L CB -1.415 40.618 42.059 -0.044 0.000 0.890 259 L HN 0.224 nan 8.230 nan 0.000 0.432 260 P HA -0.143 nan 4.420 nan 0.000 0.215 260 P C 1.597 178.852 177.300 -0.075 0.000 1.153 260 P CA 1.532 64.599 63.100 -0.054 0.000 0.853 260 P CB -0.100 31.569 31.700 -0.051 0.000 0.788 261 T N -0.240 114.233 114.554 -0.136 0.000 2.737 261 T HA -0.077 4.262 4.350 -0.018 0.000 0.265 261 T C 1.799 176.379 174.700 -0.200 0.000 1.038 261 T CA 1.088 63.055 62.100 -0.222 0.000 1.144 261 T CB -1.000 67.606 68.868 -0.437 0.000 0.866 261 T HN 0.040 nan 8.240 nan 0.000 0.434 262 L N 0.908 122.025 121.223 -0.176 0.000 2.127 262 L HA -0.098 4.231 4.340 -0.018 0.000 0.211 262 L C 2.967 179.811 176.870 -0.043 0.000 1.089 262 L CA 1.069 55.840 54.840 -0.114 0.000 0.757 262 L CB -0.632 41.378 42.059 -0.081 0.000 0.899 262 L HN 0.244 nan 8.230 nan 0.000 0.434 263 A N 0.054 122.863 122.820 -0.019 0.000 1.933 263 A HA -0.229 4.080 4.320 -0.018 0.000 0.218 263 A C 2.328 179.992 177.584 0.133 0.000 1.175 263 A CA 1.756 53.821 52.037 0.046 0.000 0.628 263 A CB -0.296 18.730 19.000 0.043 0.000 0.814 263 A HN 0.354 nan 8.150 nan 0.000 0.444 264 K N -0.486 119.965 120.400 0.085 0.000 2.103 264 K HA 0.098 4.408 4.320 -0.018 0.000 0.204 264 K C 1.671 178.370 176.600 0.166 0.000 1.052 264 K CA 1.055 57.422 56.287 0.133 0.000 0.945 264 K CB -0.297 32.228 32.500 0.043 0.000 0.722 264 K HN 0.437 nan 8.250 nan 0.000 0.443 265 L N 1.374 122.638 121.223 0.069 0.000 2.265 265 L HA -0.101 4.228 4.340 -0.018 0.000 0.215 265 L C 2.030 178.931 176.870 0.052 0.000 1.117 265 L CA 0.760 55.640 54.840 0.067 0.000 0.782 265 L CB -0.521 41.553 42.059 0.026 0.000 0.914 265 L HN 0.274 nan 8.230 nan 0.000 0.441 266 I N -5.000 115.575 120.570 0.009 0.000 3.646 266 I HA -0.127 4.032 4.170 -0.018 0.000 0.301 266 I C 1.288 177.258 176.117 -0.245 0.000 1.276 266 I CA 0.756 61.987 61.300 -0.114 0.000 1.254 266 I CB -0.435 37.462 38.000 -0.172 0.000 1.020 266 I HN 0.071 nan 8.210 nan 0.000 0.473 267 Y N 0.818 121.124 120.300 0.010 0.000 2.458 267 Y HA 0.275 4.814 4.550 -0.018 0.000 0.256 267 Y C 1.817 177.735 175.900 0.030 0.000 1.159 267 Y CA -0.232 57.880 58.100 0.019 0.000 1.261 267 Y CB 0.178 38.645 38.460 0.013 0.000 1.119 267 Y HN 0.183 nan 8.280 nan 0.000 0.524 268 S N 0.148 115.931 115.700 0.138 0.000 2.573 268 S HA 0.021 4.480 4.470 -0.018 0.000 0.277 268 S C 1.246 175.901 174.600 0.092 0.000 1.346 268 S CA -0.192 58.073 58.200 0.109 0.000 1.034 268 S CB 0.548 63.805 63.200 0.095 0.000 0.879 268 S HN 0.262 nan 8.310 nan 0.000 0.528 269 M N 1.760 121.409 119.600 0.083 0.000 2.492 269 M HA 0.197 4.666 4.480 -0.018 0.000 0.255 269 M C 0.247 176.588 176.300 0.069 0.000 1.139 269 M CA 0.179 55.524 55.300 0.075 0.000 1.096 269 M CB -1.276 31.361 32.600 0.061 0.000 1.360 269 M HN 0.643 nan 8.290 nan 0.000 0.480 270 D N 1.252 121.690 120.400 0.062 0.000 2.382 270 D HA 0.055 4.684 4.640 -0.018 0.000 0.259 270 D C 0.940 177.275 176.300 0.059 0.000 1.224 270 D CA 0.465 54.498 54.000 0.054 0.000 0.894 270 D CB 1.135 41.965 40.800 0.049 0.000 1.127 270 D HN 0.087 nan 8.370 nan 0.000 0.487 271 T N 3.224 117.814 114.554 0.060 0.000 2.607 271 T HA -0.225 4.114 4.350 -0.018 0.000 0.267 271 T C 1.448 176.174 174.700 0.043 0.000 1.049 271 T CA 1.545 63.676 62.100 0.052 0.000 1.162 271 T CB -0.236 68.670 68.868 0.063 0.000 0.863 271 T HN 0.515 nan 8.240 nan 0.000 0.424 272 E N 0.553 120.787 120.200 0.056 0.000 2.160 272 E HA -0.087 4.252 4.350 -0.018 0.000 0.195 272 E C 2.410 179.077 176.600 0.110 0.000 0.991 272 E CA 1.329 57.779 56.400 0.084 0.000 0.810 272 E CB -0.375 29.364 29.700 0.065 0.000 0.742 272 E HN 0.386 nan 8.360 nan 0.000 0.466 273 T N 0.812 115.421 114.554 0.093 0.000 2.857 273 T HA -0.087 4.252 4.350 -0.018 0.000 0.266 273 T C 1.668 176.423 174.700 0.092 0.000 1.048 273 T CA 0.685 62.854 62.100 0.115 0.000 1.139 273 T CB -0.142 68.790 68.868 0.108 0.000 0.874 273 T HN 0.043 nan 8.240 nan 0.000 0.455 274 L N 1.321 122.573 121.223 0.048 0.000 2.056 274 L HA 0.045 4.375 4.340 -0.018 0.000 0.207 274 L C 2.398 179.247 176.870 -0.035 0.000 1.078 274 L CA 1.441 56.276 54.840 -0.009 0.000 0.749 274 L CB -0.787 41.244 42.059 -0.046 0.000 0.901 274 L HN 0.050 nan 8.230 nan 0.000 0.433 275 V N 0.055 119.966 119.914 -0.005 0.000 2.261 275 V HA -0.291 3.819 4.120 -0.018 0.000 0.246 275 V C 2.276 178.462 176.094 0.152 0.000 1.047 275 V CA 2.073 64.387 62.300 0.022 0.000 1.015 275 V CB -0.798 31.097 31.823 0.120 0.000 0.642 275 V HN 0.438 nan 8.190 nan 0.000 0.446 276 D N 0.252 120.791 120.400 0.230 0.000 2.144 276 D HA -0.079 4.551 4.640 -0.018 0.000 0.200 276 D C 2.201 178.607 176.300 0.177 0.000 0.978 276 D CA 1.522 55.699 54.000 0.296 0.000 0.833 276 D CB -0.336 40.650 40.800 0.311 0.000 0.961 276 D HN 0.436 nan 8.370 nan 0.000 0.470 277 A N 0.288 123.167 122.820 0.099 0.000 1.933 277 A HA -0.179 4.130 4.320 -0.018 0.000 0.218 277 A C 2.497 180.056 177.584 -0.041 0.000 1.175 277 A CA 1.144 53.200 52.037 0.031 0.000 0.628 277 A CB -0.897 18.113 19.000 0.016 0.000 0.814 277 A HN 0.332 nan 8.150 nan 0.000 0.444 278 C N -2.753 116.487 119.300 -0.100 0.000 2.446 278 C HA -0.137 4.312 4.460 -0.018 0.000 0.277 278 C C 2.406 177.209 174.990 -0.312 0.000 1.275 278 C CA 0.552 59.434 59.018 -0.227 0.000 1.727 278 C CB -1.708 25.839 27.740 -0.323 0.000 2.010 278 C HN 0.832 nan 8.230 nan 0.000 0.486 279 W N 0.909 122.055 121.300 -0.256 0.000 2.355 279 W HA -0.108 4.540 4.660 -0.019 0.000 0.309 279 W C 2.687 178.742 176.519 -0.774 0.000 1.206 279 W CA 1.213 58.236 57.345 -0.536 0.000 1.284 279 W CB -0.588 28.625 29.460 -0.412 0.000 1.145 279 W HN 0.264 nan 8.180 nan 0.000 0.502 280 A N 0.276 123.022 122.820 -0.123 0.000 1.917 280 A HA -0.230 4.080 4.320 -0.018 0.000 0.219 280 A C 1.811 179.375 177.584 -0.035 0.000 1.182 280 A CA 1.976 53.993 52.037 -0.033 0.000 0.633 280 A CB -0.983 18.046 19.000 0.048 0.000 0.819 280 A HN 0.347 nan 8.150 nan 0.000 0.448 281 I N 0.436 120.963 120.570 -0.073 0.000 2.546 281 I HA -0.180 3.979 4.170 -0.018 0.000 0.255 281 I C 2.712 178.810 176.117 -0.032 0.000 1.163 281 I CA 1.237 62.519 61.300 -0.030 0.000 1.457 281 I CB -0.111 37.855 38.000 -0.055 0.000 1.092 281 I HN 0.500 nan 8.210 nan 0.000 0.434 282 S N 0.131 115.747 115.700 -0.140 0.000 2.447 282 S HA -0.154 4.305 4.470 -0.018 0.000 0.233 282 S C 1.908 176.572 174.600 0.106 0.000 1.006 282 S CA 0.892 59.040 58.200 -0.087 0.000 0.957 282 S CB -0.618 62.455 63.200 -0.211 0.000 0.773 282 S HN 0.541 nan 8.310 nan 0.000 0.507 283 Y N 0.911 121.292 120.300 0.134 0.000 2.301 283 Y HA 0.285 4.823 4.550 -0.020 0.000 0.295 283 Y C 2.379 178.355 175.900 0.127 0.000 1.119 283 Y CA 0.067 58.242 58.100 0.126 0.000 1.162 283 Y CB -0.173 38.358 38.460 0.117 0.000 1.046 283 Y HN 0.165 nan 8.280 nan 0.000 0.538 284 L N 0.036 121.441 121.223 0.303 0.000 2.083 284 L HA -0.204 4.125 4.340 -0.018 0.000 0.209 284 L C 2.465 179.485 176.870 0.250 0.000 1.083 284 L CA 1.645 56.684 54.840 0.331 0.000 0.752 284 L CB -0.553 41.684 42.059 0.297 0.000 0.899 284 L HN 0.260 nan 8.230 nan 0.000 0.433 285 S N -2.167 113.628 115.700 0.158 0.000 2.561 285 S HA -0.089 4.370 4.470 -0.018 0.000 0.225 285 S C 0.866 175.504 174.600 0.063 0.000 0.977 285 S CA 0.010 58.260 58.200 0.083 0.000 0.926 285 S CB -0.274 62.960 63.200 0.056 0.000 0.769 285 S HN 0.265 nan 8.310 nan 0.000 0.533 286 D N 1.549 122.014 120.400 0.108 0.000 2.483 286 D HA 0.584 5.213 4.640 -0.018 0.000 0.220 286 D C 0.326 176.651 176.300 0.042 0.000 1.173 286 D CA 0.454 54.513 54.000 0.098 0.000 0.964 286 D CB 0.167 41.061 40.800 0.156 0.000 1.046 286 D HN 0.510 nan 8.370 nan 0.000 0.517 287 G N 2.692 111.482 108.800 -0.017 0.000 2.356 287 G HA2 0.253 4.202 3.960 -0.018 0.000 0.281 287 G HA3 0.253 4.202 3.960 -0.018 0.000 0.281 287 G C -2.855 171.967 174.900 -0.129 0.000 1.246 287 G CA -0.823 44.227 45.100 -0.083 0.000 0.889 287 G HN 0.238 nan 8.290 nan 0.000 0.486 288 P HA 0.269 nan 4.420 nan 0.000 0.274 288 P C 0.587 177.768 177.300 -0.198 0.000 1.256 288 P CA -0.217 62.773 63.100 -0.183 0.000 0.795 288 P CB 0.711 32.285 31.700 -0.210 0.000 1.038 289 Q N -0.080 119.635 119.800 -0.141 0.000 2.152 289 Q HA -0.255 4.074 4.340 -0.018 0.000 0.206 289 Q C 1.946 177.860 176.000 -0.142 0.000 0.985 289 Q CA 1.670 57.403 55.803 -0.117 0.000 0.863 289 Q CB -0.190 28.500 28.738 -0.081 0.000 0.904 289 Q HN 0.615 nan 8.270 nan 0.000 0.422 290 E N 0.244 120.329 120.200 -0.192 0.000 2.085 290 E HA -0.218 4.122 4.350 -0.018 0.000 0.194 290 E C 1.873 178.308 176.600 -0.274 0.000 0.994 290 E CA 1.041 57.324 56.400 -0.195 0.000 0.801 290 E CB -0.019 29.548 29.700 -0.222 0.000 0.743 290 E HN 0.365 nan 8.360 nan 0.000 0.453 291 A N 0.935 123.416 122.820 -0.565 0.000 1.897 291 A HA -0.103 4.206 4.320 -0.018 0.000 0.215 291 A C 2.143 179.625 177.584 -0.169 0.000 1.181 291 A CA 0.967 52.530 52.037 -0.789 0.000 0.620 291 A CB -0.524 17.819 19.000 -1.094 0.000 0.821 291 A HN 0.288 nan 8.150 nan 0.000 0.443 292 I N -0.610 119.874 120.570 -0.143 0.000 2.264 292 I HA -0.302 3.857 4.170 -0.018 0.000 0.248 292 I C 2.746 178.861 176.117 -0.002 0.000 1.111 292 I CA 1.764 63.037 61.300 -0.045 0.000 1.382 292 I CB -0.208 37.756 38.000 -0.061 0.000 1.060 292 I HN 0.364 nan 8.210 nan 0.000 0.418 293 Q N 1.083 120.877 119.800 -0.010 0.000 2.084 293 Q HA -0.140 4.189 4.340 -0.018 0.000 0.202 293 Q C 2.185 178.226 176.000 0.070 0.000 0.978 293 Q CA 2.144 57.959 55.803 0.020 0.000 0.844 293 Q CB -0.344 28.401 28.738 0.012 0.000 0.898 293 Q HN 0.505 nan 8.270 nan 0.000 0.426 294 A N -0.777 122.126 122.820 0.139 0.000 1.972 294 A HA -0.102 4.207 4.320 -0.018 0.000 0.219 294 A C 2.232 179.907 177.584 0.151 0.000 1.169 294 A CA 1.506 53.665 52.037 0.203 0.000 0.635 294 A CB -0.628 18.636 19.000 0.440 0.000 0.810 294 A HN 0.263 nan 8.150 nan 0.000 0.446 295 V N -0.070 119.930 119.914 0.143 0.000 2.358 295 V HA -0.228 3.882 4.120 -0.018 0.000 0.246 295 V C 2.373 178.499 176.094 0.053 0.000 1.047 295 V CA 1.902 64.258 62.300 0.095 0.000 1.035 295 V CB -0.572 31.300 31.823 0.083 0.000 0.658 295 V HN 0.574 nan 8.190 nan 0.000 0.452 296 I N 0.111 120.706 120.570 0.042 0.000 2.252 296 I HA -0.203 3.956 4.170 -0.018 0.000 0.245 296 I C 2.175 178.309 176.117 0.029 0.000 1.102 296 I CA 1.484 62.798 61.300 0.025 0.000 1.385 296 I CB -0.392 37.616 38.000 0.013 0.000 1.064 296 I HN 0.308 nan 8.210 nan 0.000 0.414 297 D N 0.341 120.764 120.400 0.038 0.000 2.219 297 D HA -0.100 4.529 4.640 -0.018 0.000 0.205 297 D C 2.002 178.320 176.300 0.031 0.000 0.970 297 D CA 1.227 55.247 54.000 0.034 0.000 0.851 297 D CB -0.136 40.689 40.800 0.042 0.000 0.943 297 D HN 0.330 nan 8.370 nan 0.000 0.488 298 V N -1.549 118.387 119.914 0.036 0.000 3.636 298 V HA 0.164 4.273 4.120 -0.018 0.000 0.279 298 V C 0.727 176.842 176.094 0.034 0.000 1.263 298 V CA -0.150 62.168 62.300 0.029 0.000 1.182 298 V CB -0.750 31.087 31.823 0.023 0.000 0.955 298 V HN 0.093 nan 8.190 nan 0.000 0.443 299 R N -1.446 119.074 120.500 0.033 0.000 3.875 299 R HA -0.229 4.100 4.340 -0.018 0.000 0.321 299 R C 1.074 177.403 176.300 0.048 0.000 1.196 299 R CA 1.314 57.437 56.100 0.038 0.000 0.868 299 R CB -2.504 27.823 30.300 0.045 0.000 1.333 299 R HN 0.553 nan 8.270 nan 0.000 0.522 300 I N 0.977 121.568 120.570 0.035 0.000 2.208 300 I HA -0.189 3.970 4.170 -0.018 0.000 0.245 300 I C -0.565 175.550 176.117 -0.004 0.000 1.097 300 I CA 1.611 62.921 61.300 0.017 0.000 1.363 300 I CB -0.784 37.220 38.000 0.006 0.000 1.051 300 I HN 0.127 nan 8.210 nan 0.000 0.413 301 P HA -0.219 nan 4.420 nan 0.000 0.216 301 P C 1.492 178.780 177.300 -0.021 0.000 1.150 301 P CA 1.443 64.532 63.100 -0.019 0.000 0.837 301 P CB -0.150 31.542 31.700 -0.015 0.000 0.786 302 K N 0.015 120.414 120.400 -0.002 0.000 2.020 302 K HA -0.246 4.064 4.320 -0.018 0.000 0.212 302 K C 2.307 178.898 176.600 -0.016 0.000 1.050 302 K CA 1.743 58.032 56.287 0.004 0.000 0.929 302 K CB -0.230 32.292 32.500 0.035 0.000 0.714 302 K HN -0.187 nan 8.250 nan 0.000 0.443 303 R N 1.036 121.516 120.500 -0.033 0.000 2.115 303 R HA 0.022 4.352 4.340 -0.018 0.000 0.230 303 R C 2.211 178.425 176.300 -0.143 0.000 1.111 303 R CA 1.104 57.125 56.100 -0.132 0.000 0.976 303 R CB -0.501 29.630 30.300 -0.282 0.000 0.870 303 R HN 0.301 nan 8.270 nan 0.000 0.445 304 L N -0.647 120.512 121.223 -0.106 0.000 2.046 304 L HA -0.155 4.174 4.340 -0.018 0.000 0.208 304 L C 2.202 179.024 176.870 -0.080 0.000 1.077 304 L CA 1.056 55.834 54.840 -0.102 0.000 0.747 304 L CB -0.465 41.543 42.059 -0.086 0.000 0.896 304 L HN 0.025 nan 8.230 nan 0.000 0.432 305 V N -0.178 119.701 119.914 -0.060 0.000 2.407 305 V HA -0.277 3.832 4.120 -0.018 0.000 0.248 305 V C 2.364 178.435 176.094 -0.039 0.000 1.055 305 V CA 1.753 64.027 62.300 -0.044 0.000 1.049 305 V CB -0.410 31.393 31.823 -0.033 0.000 0.662 305 V HN 0.456 nan 8.190 nan 0.000 0.455 306 E N 0.027 120.201 120.200 -0.043 0.000 2.051 306 E HA -0.194 4.145 4.350 -0.018 0.000 0.192 306 E C 2.080 178.664 176.600 -0.027 0.000 0.991 306 E CA 1.250 57.630 56.400 -0.033 0.000 0.799 306 E CB -0.215 29.461 29.700 -0.040 0.000 0.748 306 E HN 0.511 nan 8.360 nan 0.000 0.449 307 L N 0.957 122.150 121.223 -0.050 0.000 2.549 307 L HA -0.115 4.214 4.340 -0.018 0.000 0.229 307 L C 2.047 178.906 176.870 -0.018 0.000 1.158 307 L CA 0.228 55.051 54.840 -0.028 0.000 0.842 307 L CB -0.273 41.730 42.059 -0.093 0.000 0.952 307 L HN 0.183 nan 8.230 nan 0.000 0.452 308 L N -0.404 120.802 121.223 -0.028 0.000 2.265 308 L HA -0.138 4.191 4.340 -0.018 0.000 0.215 308 L C 2.140 179.013 176.870 0.006 0.000 1.117 308 L CA 1.212 56.039 54.840 -0.022 0.000 0.782 308 L CB -0.395 41.649 42.059 -0.025 0.000 0.914 308 L HN 0.389 nan 8.230 nan 0.000 0.441 309 S N -3.012 112.699 115.700 0.019 0.000 2.582 309 S HA 0.049 4.508 4.470 -0.018 0.000 0.234 309 S C 0.657 175.285 174.600 0.046 0.000 0.961 309 S CA -0.589 57.625 58.200 0.023 0.000 0.953 309 S CB -0.444 62.758 63.200 0.003 0.000 0.800 309 S HN 0.310 nan 8.310 nan 0.000 0.471 310 H N 3.117 122.166 119.070 -0.035 0.000 2.852 310 H HA 0.051 4.597 4.556 -0.018 0.000 0.362 310 H C 1.505 176.821 175.328 -0.020 0.000 1.122 310 H CA 1.100 57.129 56.048 -0.030 0.000 1.419 310 H CB 0.932 30.669 29.762 -0.042 0.000 1.401 310 H HN 0.480 nan 8.280 nan 0.000 0.609 311 E N 2.247 122.408 120.200 -0.065 0.000 2.153 311 E HA -0.133 4.206 4.350 -0.018 0.000 0.194 311 E C 0.489 177.181 176.600 0.153 0.000 0.988 311 E CA 0.421 56.832 56.400 0.019 0.000 0.811 311 E CB -0.066 29.587 29.700 -0.079 0.000 0.746 311 E HN 0.213 nan 8.360 nan 0.000 0.466 312 S N 1.044 116.969 115.700 0.376 0.000 2.499 312 S HA 0.161 4.620 4.470 -0.018 0.000 0.279 312 S C 1.072 175.722 174.600 0.084 0.000 1.219 312 S CA 0.071 58.389 58.200 0.197 0.000 1.062 312 S CB 1.243 64.545 63.200 0.170 0.000 0.978 312 S HN 0.353 nan 8.310 nan 0.000 0.489 313 T N 3.669 118.254 114.554 0.051 0.000 3.007 313 T HA -0.017 4.322 4.350 -0.018 0.000 0.270 313 T C 1.674 176.371 174.700 -0.006 0.000 1.107 313 T CA 0.763 62.876 62.100 0.021 0.000 1.118 313 T CB -0.412 68.476 68.868 0.034 0.000 0.889 313 T HN 0.622 nan 8.240 nan 0.000 0.506 314 L N 0.448 121.674 121.223 0.005 0.000 2.362 314 L HA 0.019 4.349 4.340 -0.018 0.000 0.219 314 L C 2.501 179.308 176.870 -0.105 0.000 1.134 314 L CA 0.446 55.292 54.840 0.011 0.000 0.807 314 L CB -0.378 41.712 42.059 0.052 0.000 0.927 314 L HN 0.235 nan 8.230 nan 0.000 0.447 315 V N -1.294 118.503 119.914 -0.195 0.000 2.581 315 V HA -0.119 3.990 4.120 -0.018 0.000 0.240 315 V C 2.234 178.184 176.094 -0.239 0.000 1.054 315 V CA 0.780 62.898 62.300 -0.304 0.000 1.076 315 V CB -0.258 31.227 31.823 -0.563 0.000 0.748 315 V HN 0.342 nan 8.190 nan 0.000 0.474 316 Q N 0.154 119.868 119.800 -0.144 0.000 2.096 316 Q HA -0.260 4.069 4.340 -0.018 0.000 0.208 316 Q C 2.329 178.241 176.000 -0.147 0.000 0.993 316 Q CA 2.500 58.242 55.803 -0.102 0.000 0.862 316 Q CB -0.508 28.208 28.738 -0.035 0.000 0.915 316 Q HN 0.575 nan 8.270 nan 0.000 0.416 317 T N 1.177 115.633 114.554 -0.164 0.000 2.674 317 T HA -0.102 4.237 4.350 -0.018 0.000 0.265 317 T C -1.062 173.415 174.700 -0.372 0.000 1.039 317 T CA 1.593 63.581 62.100 -0.188 0.000 1.150 317 T CB -0.968 67.841 68.868 -0.098 0.000 0.864 317 T HN 0.304 nan 8.240 nan 0.000 0.427 318 P HA 0.105 nan 4.420 nan 0.000 0.219 318 P C 1.250 178.252 177.300 -0.496 0.000 1.150 318 P CA 1.006 63.534 63.100 -0.953 0.000 0.814 318 P CB -0.111 30.588 31.700 -1.668 0.000 0.787 319 A N 0.193 122.795 122.820 -0.365 0.000 1.897 319 A HA -0.122 4.187 4.320 -0.018 0.000 0.215 319 A C 2.185 179.678 177.584 -0.152 0.000 1.181 319 A CA 1.237 53.134 52.037 -0.233 0.000 0.620 319 A CB -1.593 17.291 19.000 -0.194 0.000 0.821 319 A HN 0.157 nan 8.150 nan 0.000 0.443 320 L N -0.298 120.848 121.223 -0.129 0.000 2.083 320 L HA -0.093 4.236 4.340 -0.018 0.000 0.209 320 L C 2.329 179.196 176.870 -0.005 0.000 1.083 320 L CA 2.329 57.138 54.840 -0.051 0.000 0.752 320 L CB -0.631 41.413 42.059 -0.024 0.000 0.899 320 L HN 0.366 nan 8.230 nan 0.000 0.433 321 R N 0.149 120.622 120.500 -0.044 0.000 2.075 321 R HA -0.010 4.319 4.340 -0.018 0.000 0.232 321 R C 2.163 178.502 176.300 0.065 0.000 1.126 321 R CA 1.649 57.781 56.100 0.054 0.000 0.963 321 R CB -0.972 29.305 30.300 -0.038 0.000 0.858 321 R HN 0.464 nan 8.270 nan 0.000 0.435 322 A N -0.248 122.549 122.820 -0.038 0.000 1.877 322 A HA -0.108 4.202 4.320 -0.018 0.000 0.216 322 A C 2.344 179.917 177.584 -0.019 0.000 1.186 322 A CA 1.824 53.844 52.037 -0.028 0.000 0.620 322 A CB -0.825 18.127 19.000 -0.080 0.000 0.822 322 A HN 0.178 nan 8.150 nan 0.000 0.443 323 V N -0.041 119.850 119.914 -0.039 0.000 2.295 323 V HA -0.203 3.907 4.120 -0.018 0.000 0.246 323 V C 2.840 178.880 176.094 -0.090 0.000 1.049 323 V CA 2.042 64.307 62.300 -0.058 0.000 1.024 323 V CB -1.486 30.300 31.823 -0.061 0.000 0.648 323 V HN 0.626 nan 8.190 nan 0.000 0.447 324 G N 0.081 108.838 108.800 -0.070 0.000 2.442 324 G HA2 -0.289 3.660 3.960 -0.018 0.000 0.219 324 G HA3 -0.289 3.660 3.960 -0.018 0.000 0.219 324 G C 1.420 176.166 174.900 -0.255 0.000 1.141 324 G CA 1.051 45.984 45.100 -0.277 0.000 0.763 324 G HN 0.531 nan 8.290 nan 0.000 0.554 325 N N 0.591 119.305 118.700 0.024 0.000 2.188 325 N HA -0.018 4.712 4.740 -0.018 0.000 0.184 325 N C 2.204 177.693 175.510 -0.035 0.000 1.018 325 N CA 0.622 53.706 53.050 0.057 0.000 0.858 325 N CB -0.269 38.283 38.487 0.108 0.000 0.989 325 N HN 0.365 nan 8.380 nan 0.000 0.426 326 I N 0.703 121.241 120.570 -0.053 0.000 2.208 326 I HA -0.209 3.950 4.170 -0.018 0.000 0.245 326 I C 1.888 177.946 176.117 -0.098 0.000 1.097 326 I CA 0.968 62.230 61.300 -0.063 0.000 1.363 326 I CB -0.255 37.712 38.000 -0.054 0.000 1.051 326 I HN 0.016 nan 8.210 nan 0.000 0.413 327 V N -1.921 117.903 119.914 -0.150 0.000 3.510 327 V HA -0.056 4.053 4.120 -0.018 0.000 0.270 327 V C 2.115 178.089 176.094 -0.200 0.000 1.201 327 V CA 1.320 63.514 62.300 -0.177 0.000 1.166 327 V CB -1.603 30.090 31.823 -0.217 0.000 0.825 327 V HN 0.556 nan 8.190 nan 0.000 0.484 328 T N -2.167 112.275 114.554 -0.187 0.000 3.163 328 T HA 0.257 4.596 4.350 -0.018 0.000 0.260 328 T C 1.109 175.758 174.700 -0.086 0.000 1.156 328 T CA 0.678 62.700 62.100 -0.131 0.000 1.072 328 T CB -0.445 68.392 68.868 -0.052 0.000 0.937 328 T HN 0.728 nan 8.240 nan 0.000 0.528 329 G N 2.099 110.849 108.800 -0.083 0.000 2.509 329 G HA2 0.447 4.397 3.960 -0.018 0.000 0.269 329 G HA3 0.447 4.397 3.960 -0.018 0.000 0.269 329 G C 0.009 174.871 174.900 -0.062 0.000 1.416 329 G CA -0.752 44.308 45.100 -0.067 0.000 1.052 329 G HN 0.633 nan 8.290 nan 0.000 0.542 330 N N -0.698 117.971 118.700 -0.052 0.000 2.288 330 N HA 0.063 4.793 4.740 -0.018 0.000 0.237 330 N C 0.380 175.864 175.510 -0.044 0.000 1.311 330 N CA 0.084 53.108 53.050 -0.043 0.000 0.909 330 N CB 0.481 38.947 38.487 -0.035 0.000 1.167 330 N HN 0.273 nan 8.380 nan 0.000 0.476 331 D N -0.464 119.914 120.400 -0.036 0.000 2.117 331 D HA -0.089 4.540 4.640 -0.018 0.000 0.197 331 D C 1.815 178.096 176.300 -0.032 0.000 0.987 331 D CA 1.060 55.039 54.000 -0.034 0.000 0.829 331 D CB -0.261 40.523 40.800 -0.027 0.000 0.961 331 D HN 0.467 nan 8.370 nan 0.000 0.460 332 L N 0.416 121.623 121.223 -0.027 0.000 2.083 332 L HA -0.199 4.130 4.340 -0.018 0.000 0.209 332 L C 2.434 179.288 176.870 -0.027 0.000 1.083 332 L CA 1.219 56.045 54.840 -0.024 0.000 0.752 332 L CB -0.548 41.499 42.059 -0.019 0.000 0.899 332 L HN 0.049 nan 8.230 nan 0.000 0.433 333 Q N -0.676 119.105 119.800 -0.032 0.000 2.119 333 Q HA -0.137 4.192 4.340 -0.018 0.000 0.201 333 Q C 2.218 178.192 176.000 -0.044 0.000 0.972 333 Q CA 1.799 57.581 55.803 -0.036 0.000 0.847 333 Q CB -0.170 28.544 28.738 -0.041 0.000 0.903 333 Q HN 0.431 nan 8.270 nan 0.000 0.433 334 T N 0.636 115.159 114.554 -0.052 0.000 2.777 334 T HA -0.176 4.164 4.350 -0.018 0.000 0.266 334 T C 1.725 176.395 174.700 -0.051 0.000 1.040 334 T CA 1.318 63.380 62.100 -0.063 0.000 1.141 334 T CB -0.121 68.706 68.868 -0.069 0.000 0.868 334 T HN 0.140 nan 8.240 nan 0.000 0.444 335 Q N 0.739 120.515 119.800 -0.040 0.000 2.226 335 Q HA -0.024 4.305 4.340 -0.018 0.000 0.204 335 Q C 2.079 178.062 176.000 -0.029 0.000 0.975 335 Q CA 0.904 56.687 55.803 -0.033 0.000 0.866 335 Q CB -0.573 28.149 28.738 -0.027 0.000 0.915 335 Q HN 0.341 nan 8.270 nan 0.000 0.440 336 V N -1.019 118.878 119.914 -0.027 0.000 2.343 336 V HA -0.223 3.886 4.120 -0.018 0.000 0.247 336 V C 2.082 178.160 176.094 -0.025 0.000 1.051 336 V CA 1.553 63.840 62.300 -0.022 0.000 1.036 336 V CB -0.413 31.399 31.823 -0.018 0.000 0.654 336 V HN 0.224 nan 8.190 nan 0.000 0.451 337 V N -0.253 119.640 119.914 -0.035 0.000 2.358 337 V HA -0.220 3.890 4.120 -0.018 0.000 0.246 337 V C 2.172 178.244 176.094 -0.038 0.000 1.047 337 V CA 1.988 64.265 62.300 -0.040 0.000 1.035 337 V CB -0.388 31.402 31.823 -0.055 0.000 0.658 337 V HN 0.435 nan 8.190 nan 0.000 0.452 338 I N 0.580 121.126 120.570 -0.039 0.000 2.208 338 I HA -0.270 3.889 4.170 -0.018 0.000 0.245 338 I C 2.308 178.409 176.117 -0.027 0.000 1.097 338 I CA 1.655 62.934 61.300 -0.035 0.000 1.363 338 I CB -0.555 37.424 38.000 -0.036 0.000 1.051 338 I HN 0.363 nan 8.210 nan 0.000 0.413 339 N N 1.053 119.739 118.700 -0.023 0.000 2.244 339 N HA -0.088 4.641 4.740 -0.018 0.000 0.183 339 N C 1.662 177.164 175.510 -0.014 0.000 1.016 339 N CA 1.411 54.450 53.050 -0.017 0.000 0.866 339 N CB -0.277 38.200 38.487 -0.015 0.000 0.980 339 N HN 0.341 nan 8.380 nan 0.000 0.430 340 A N -0.621 122.190 122.820 -0.015 0.000 2.235 340 A HA 0.400 4.709 4.320 -0.018 0.000 0.208 340 A C 1.361 178.937 177.584 -0.014 0.000 1.172 340 A CA 0.921 52.951 52.037 -0.012 0.000 0.786 340 A CB -0.268 18.724 19.000 -0.013 0.000 0.804 340 A HN 0.327 nan 8.150 nan 0.000 0.479 341 G N -2.205 106.585 108.800 -0.017 0.000 2.154 341 G HA2 -0.191 3.759 3.960 -0.018 0.000 0.186 341 G HA3 -0.191 3.759 3.960 -0.018 0.000 0.186 341 G C 0.860 175.748 174.900 -0.020 0.000 1.000 341 G CA 0.425 45.515 45.100 -0.017 0.000 0.664 341 G HN 0.764 nan 8.290 nan 0.000 0.513 342 V N 0.571 120.469 119.914 -0.027 0.000 2.594 342 V HA -0.037 4.072 4.120 -0.018 0.000 0.253 342 V C 2.689 178.767 176.094 -0.028 0.000 1.069 342 V CA 2.673 64.954 62.300 -0.031 0.000 1.082 342 V CB -0.232 31.566 31.823 -0.043 0.000 0.680 342 V HN 0.530 nan 8.190 nan 0.000 0.469 343 L N 0.108 121.315 121.223 -0.026 0.000 2.005 343 L HA -0.053 4.277 4.340 -0.018 0.000 0.207 343 L C 0.080 176.942 176.870 -0.013 0.000 1.072 343 L CA 1.582 56.409 54.840 -0.022 0.000 0.744 343 L CB -1.883 40.163 42.059 -0.023 0.000 0.895 343 L HN 0.312 nan 8.230 nan 0.000 0.433 344 P HA -0.170 nan 4.420 nan 0.000 0.218 344 P C 1.354 178.651 177.300 -0.006 0.000 1.148 344 P CA 1.698 64.794 63.100 -0.007 0.000 0.822 344 P CB -0.025 31.671 31.700 -0.007 0.000 0.784 345 A N -0.409 122.406 122.820 -0.009 0.000 1.898 345 A HA -0.129 4.180 4.320 -0.018 0.000 0.216 345 A C 2.176 179.757 177.584 -0.005 0.000 1.181 345 A CA 1.252 53.283 52.037 -0.009 0.000 0.620 345 A CB -1.611 17.381 19.000 -0.015 0.000 0.819 345 A HN 0.124 nan 8.150 nan 0.000 0.442 346 L N -0.959 120.259 121.223 -0.008 0.000 2.265 346 L HA -0.147 4.183 4.340 -0.018 0.000 0.215 346 L C 2.737 179.610 176.870 0.006 0.000 1.117 346 L CA 0.846 55.684 54.840 -0.002 0.000 0.782 346 L CB -0.435 41.618 42.059 -0.009 0.000 0.914 346 L HN 0.275 nan 8.230 nan 0.000 0.441 347 R N 0.633 121.136 120.500 0.005 0.000 2.075 347 R HA -0.110 4.219 4.340 -0.018 0.000 0.232 347 R C 2.112 178.419 176.300 0.011 0.000 1.126 347 R CA 1.405 57.511 56.100 0.010 0.000 0.963 347 R CB -0.834 29.471 30.300 0.008 0.000 0.858 347 R HN 0.320 nan 8.270 nan 0.000 0.435 348 L N 0.417 121.645 121.223 0.008 0.000 2.017 348 L HA -0.145 4.184 4.340 -0.018 0.000 0.208 348 L C 2.012 178.889 176.870 0.012 0.000 1.073 348 L CA 1.602 56.447 54.840 0.009 0.000 0.745 348 L CB -0.376 41.687 42.059 0.005 0.000 0.894 348 L HN 0.210 nan 8.230 nan 0.000 0.432 349 L N -0.538 120.693 121.223 0.013 0.000 2.275 349 L HA -0.204 4.125 4.340 -0.018 0.000 0.215 349 L C 2.496 179.380 176.870 0.024 0.000 1.119 349 L CA 0.465 55.315 54.840 0.017 0.000 0.790 349 L CB -0.325 41.743 42.059 0.016 0.000 0.919 349 L HN 0.295 nan 8.230 nan 0.000 0.443 350 L N -0.444 120.794 121.223 0.024 0.000 2.265 350 L HA -0.123 4.206 4.340 -0.018 0.000 0.215 350 L C 1.671 178.557 176.870 0.026 0.000 1.117 350 L CA 0.948 55.806 54.840 0.029 0.000 0.782 350 L CB -0.305 41.772 42.059 0.030 0.000 0.914 350 L HN 0.342 nan 8.230 nan 0.000 0.441 351 S N -1.934 113.778 115.700 0.021 0.000 2.552 351 S HA 0.114 4.573 4.470 -0.018 0.000 0.246 351 S C 0.502 175.114 174.600 0.019 0.000 1.019 351 S CA -0.503 57.708 58.200 0.019 0.000 1.045 351 S CB 0.168 63.377 63.200 0.015 0.000 0.784 351 S HN 0.237 nan 8.310 nan 0.000 0.453 352 S N 2.557 118.270 115.700 0.021 0.000 2.585 352 S HA 0.295 4.754 4.470 -0.018 0.000 0.273 352 S C -1.212 173.401 174.600 0.022 0.000 1.339 352 S CA -1.148 57.065 58.200 0.022 0.000 1.028 352 S CB 0.626 63.840 63.200 0.024 0.000 0.906 352 S HN 0.149 nan 8.310 nan 0.000 0.528 353 P HA -0.015 nan 4.420 nan 0.000 0.216 353 P C -0.369 176.945 177.300 0.024 0.000 1.153 353 P CA 1.063 64.176 63.100 0.021 0.000 0.848 353 P CB 0.010 31.723 31.700 0.021 0.000 0.787 354 K N 1.047 121.462 120.400 0.026 0.000 2.378 354 K HA -0.010 4.299 4.320 -0.018 0.000 0.288 354 K C 1.205 177.822 176.600 0.029 0.000 1.057 354 K CA 0.158 56.462 56.287 0.029 0.000 0.971 354 K CB 0.681 33.200 32.500 0.031 0.000 0.975 354 K HN -0.015 nan 8.250 nan 0.000 0.475 355 E N 2.947 123.164 120.200 0.028 0.000 2.097 355 E HA -0.233 4.106 4.350 -0.018 0.000 0.196 355 E C 0.928 177.548 176.600 0.033 0.000 1.000 355 E CA 1.664 58.082 56.400 0.030 0.000 0.804 355 E CB 0.111 29.828 29.700 0.027 0.000 0.740 355 E HN 0.442 nan 8.360 nan 0.000 0.454 356 N N -0.237 118.482 118.700 0.031 0.000 2.331 356 N HA -0.074 4.656 4.740 -0.018 0.000 0.180 356 N C 1.466 176.998 175.510 0.036 0.000 1.019 356 N CA 0.715 53.783 53.050 0.031 0.000 0.881 356 N CB -0.055 38.450 38.487 0.030 0.000 0.972 356 N HN 0.256 nan 8.380 nan 0.000 0.435 357 I N 1.136 121.727 120.570 0.035 0.000 2.353 357 I HA -0.169 3.991 4.170 -0.018 0.000 0.248 357 I C 1.831 177.976 176.117 0.047 0.000 1.119 357 I CA 0.956 62.278 61.300 0.036 0.000 1.417 357 I CB -0.554 37.462 38.000 0.027 0.000 1.078 357 I HN 0.144 nan 8.210 nan 0.000 0.421 358 K N 0.874 121.301 120.400 0.045 0.000 2.097 358 K HA -0.196 4.113 4.320 -0.018 0.000 0.206 358 K C 2.134 178.776 176.600 0.070 0.000 1.049 358 K CA 1.048 57.366 56.287 0.052 0.000 0.933 358 K CB -0.099 32.427 32.500 0.044 0.000 0.717 358 K HN 0.242 nan 8.250 nan 0.000 0.442 359 K N 1.352 121.792 120.400 0.067 0.000 2.057 359 K HA -0.139 4.170 4.320 -0.018 0.000 0.206 359 K C 1.731 178.408 176.600 0.128 0.000 1.050 359 K CA 1.225 57.561 56.287 0.082 0.000 0.935 359 K CB 0.225 32.754 32.500 0.048 0.000 0.715 359 K HN 0.081 nan 8.250 nan 0.000 0.439 360 E N -0.059 120.216 120.200 0.125 0.000 2.216 360 E HA -0.081 4.258 4.350 -0.018 0.000 0.192 360 E C 1.857 178.613 176.600 0.260 0.000 0.988 360 E CA 0.705 57.238 56.400 0.222 0.000 0.834 360 E CB 0.143 29.934 29.700 0.152 0.000 0.772 360 E HN 0.384 nan 8.360 nan 0.000 0.479 361 A N 0.866 123.772 122.820 0.144 0.000 1.930 361 A HA -0.159 4.151 4.320 -0.018 0.000 0.217 361 A C 2.500 180.140 177.584 0.095 0.000 1.175 361 A CA 1.061 53.155 52.037 0.094 0.000 0.627 361 A CB -0.746 18.290 19.000 0.060 0.000 0.815 361 A HN 0.301 nan 8.150 nan 0.000 0.443 362 C N -2.703 116.672 119.300 0.126 0.000 2.446 362 C HA -0.100 4.349 4.460 -0.018 0.000 0.277 362 C C 2.329 177.417 174.990 0.162 0.000 1.275 362 C CA 0.505 59.600 59.018 0.128 0.000 1.727 362 C CB -1.553 26.270 27.740 0.138 0.000 2.010 362 C HN 0.892 nan 8.230 nan 0.000 0.486 363 W N 1.988 123.292 121.300 0.006 0.000 2.338 363 W HA -0.161 4.491 4.660 -0.013 0.000 0.304 363 W C 2.236 178.733 176.519 -0.038 0.000 1.212 363 W CA 2.275 59.602 57.345 -0.030 0.000 1.264 363 W CB -0.819 28.611 29.460 -0.049 0.000 1.142 363 W HN 0.187 nan 8.180 nan 0.000 0.512 364 T N 1.424 115.874 114.554 -0.172 0.000 2.701 364 T HA -0.212 4.128 4.350 -0.018 0.000 0.263 364 T C 1.886 176.424 174.700 -0.269 0.000 1.040 364 T CA 2.229 64.086 62.100 -0.404 0.000 1.147 364 T CB -0.526 68.240 68.868 -0.171 0.000 0.865 364 T HN 0.145 nan 8.240 nan 0.000 0.426 365 I N 1.910 122.412 120.570 -0.114 0.000 2.264 365 I HA -0.206 3.953 4.170 -0.018 0.000 0.248 365 I C 2.733 178.806 176.117 -0.073 0.000 1.111 365 I CA 1.416 62.674 61.300 -0.071 0.000 1.382 365 I CB -0.361 37.634 38.000 -0.009 0.000 1.060 365 I HN 0.326 nan 8.210 nan 0.000 0.418 366 S N 0.349 116.007 115.700 -0.069 0.000 2.428 366 S HA -0.093 4.367 4.470 -0.018 0.000 0.230 366 S C 1.777 176.317 174.600 -0.099 0.000 1.014 366 S CA 0.768 58.960 58.200 -0.013 0.000 0.957 366 S CB -0.385 62.861 63.200 0.076 0.000 0.784 366 S HN 0.394 nan 8.310 nan 0.000 0.499 367 N N 1.460 120.004 118.700 -0.260 0.000 2.459 367 N HA 0.179 4.908 4.740 -0.018 0.000 0.181 367 N C 1.438 176.842 175.510 -0.176 0.000 1.046 367 N CA 0.864 53.752 53.050 -0.271 0.000 0.904 367 N CB -0.290 37.917 38.487 -0.468 0.000 0.964 367 N HN 0.554 nan 8.380 nan 0.000 0.444 368 I N 0.102 120.587 120.570 -0.142 0.000 2.703 368 I HA -0.113 4.046 4.170 -0.018 0.000 0.259 368 I C 1.951 178.036 176.117 -0.053 0.000 1.151 368 I CA 0.901 62.144 61.300 -0.094 0.000 1.470 368 I CB -0.223 37.724 38.000 -0.088 0.000 1.112 368 I HN 0.100 nan 8.210 nan 0.000 0.437 369 T N -1.164 113.371 114.554 -0.031 0.000 3.118 369 T HA 0.129 4.468 4.350 -0.018 0.000 0.260 369 T C 1.636 176.345 174.700 0.015 0.000 1.139 369 T CA 0.663 62.764 62.100 0.002 0.000 1.085 369 T CB -0.040 68.845 68.868 0.029 0.000 0.934 369 T HN 0.268 nan 8.240 nan 0.000 0.518 370 A N 0.920 123.740 122.820 -0.000 0.000 2.208 370 A HA 0.594 4.903 4.320 -0.018 0.000 0.209 370 A C 1.563 179.144 177.584 -0.006 0.000 1.161 370 A CA 0.270 52.313 52.037 0.011 0.000 0.782 370 A CB -0.824 18.172 19.000 -0.007 0.000 0.816 370 A HN 0.624 nan 8.150 nan 0.000 0.477 371 G N 0.512 109.300 108.800 -0.021 0.000 2.504 371 G HA2 0.332 4.282 3.960 -0.018 0.000 0.257 371 G HA3 0.332 4.282 3.960 -0.018 0.000 0.257 371 G C 0.195 175.087 174.900 -0.014 0.000 1.451 371 G CA -0.005 45.080 45.100 -0.025 0.000 1.059 371 G HN 0.619 nan 8.290 nan 0.000 0.550 372 N N -2.058 116.632 118.700 -0.017 0.000 2.364 372 N HA 0.207 4.937 4.740 -0.018 0.000 0.264 372 N C 1.020 176.523 175.510 -0.013 0.000 1.263 372 N CA 0.193 53.236 53.050 -0.012 0.000 0.959 372 N CB -0.096 38.383 38.487 -0.014 0.000 1.204 372 N HN 0.212 nan 8.380 nan 0.000 0.550 373 T N -0.903 113.644 114.554 -0.011 0.000 2.788 373 T HA -0.129 4.211 4.350 -0.018 0.000 0.268 373 T C 1.423 176.111 174.700 -0.020 0.000 1.044 373 T CA 1.568 63.661 62.100 -0.012 0.000 1.139 373 T CB -0.354 68.509 68.868 -0.009 0.000 0.867 373 T HN 0.529 nan 8.240 nan 0.000 0.454 374 E N 1.218 121.405 120.200 -0.021 0.000 2.204 374 E HA -0.112 4.227 4.350 -0.018 0.000 0.195 374 E C 2.319 178.901 176.600 -0.030 0.000 0.990 374 E CA 0.769 57.154 56.400 -0.025 0.000 0.821 374 E CB -0.390 29.296 29.700 -0.023 0.000 0.750 374 E HN 0.705 nan 8.360 nan 0.000 0.477 375 Q N -0.685 119.098 119.800 -0.028 0.000 2.212 375 Q HA 0.147 4.476 4.340 -0.018 0.000 0.199 375 Q C 2.371 178.353 176.000 -0.030 0.000 0.950 375 Q CA 0.864 56.648 55.803 -0.031 0.000 0.863 375 Q CB -0.082 28.636 28.738 -0.033 0.000 0.944 375 Q HN 0.435 nan 8.270 nan 0.000 0.465 376 I N 0.496 121.051 120.570 -0.024 0.000 2.315 376 I HA -0.268 3.891 4.170 -0.018 0.000 0.248 376 I C 2.403 178.498 176.117 -0.038 0.000 1.117 376 I CA 0.996 62.284 61.300 -0.020 0.000 1.404 376 I CB -0.094 37.901 38.000 -0.008 0.000 1.071 376 I HN 0.207 nan 8.210 nan 0.000 0.419 377 Q N 1.332 121.104 119.800 -0.046 0.000 2.167 377 Q HA -0.109 4.220 4.340 -0.018 0.000 0.202 377 Q C 2.172 178.128 176.000 -0.074 0.000 0.970 377 Q CA 1.881 57.642 55.803 -0.071 0.000 0.855 377 Q CB -0.172 28.528 28.738 -0.064 0.000 0.911 377 Q HN 0.485 nan 8.270 nan 0.000 0.438 378 A N -0.707 122.081 122.820 -0.053 0.000 1.930 378 A HA -0.097 4.212 4.320 -0.018 0.000 0.217 378 A C 2.226 179.781 177.584 -0.047 0.000 1.175 378 A CA 1.418 53.425 52.037 -0.049 0.000 0.627 378 A CB -0.744 18.233 19.000 -0.039 0.000 0.815 378 A HN 0.267 nan 8.150 nan 0.000 0.443 379 V N 0.333 120.222 119.914 -0.041 0.000 2.261 379 V HA -0.294 3.815 4.120 -0.018 0.000 0.246 379 V C 2.440 178.513 176.094 -0.035 0.000 1.047 379 V CA 2.165 64.448 62.300 -0.028 0.000 1.015 379 V CB -0.663 31.152 31.823 -0.014 0.000 0.642 379 V HN 0.589 nan 8.190 nan 0.000 0.446 380 I N 0.305 120.833 120.570 -0.070 0.000 2.118 380 I HA -0.293 3.866 4.170 -0.018 0.000 0.241 380 I C 2.241 178.261 176.117 -0.162 0.000 1.070 380 I CA 1.934 63.140 61.300 -0.156 0.000 1.327 380 I CB -0.645 37.169 38.000 -0.310 0.000 1.034 380 I HN 0.340 nan 8.210 nan 0.000 0.405 381 D N 1.064 121.382 120.400 -0.136 0.000 2.265 381 D HA -0.141 4.488 4.640 -0.018 0.000 0.208 381 D C 1.779 178.049 176.300 -0.050 0.000 0.977 381 D CA 1.298 55.242 54.000 -0.094 0.000 0.871 381 D CB -0.158 40.597 40.800 -0.075 0.000 0.925 381 D HN 0.401 nan 8.370 nan 0.000 0.485 382 A N 0.378 123.176 122.820 -0.036 0.000 2.337 382 A HA 0.012 4.321 4.320 -0.018 0.000 0.227 382 A C 0.369 177.955 177.584 0.003 0.000 1.259 382 A CA -0.195 51.833 52.037 -0.015 0.000 0.870 382 A CB -0.265 18.726 19.000 -0.015 0.000 0.927 382 A HN 0.094 nan 8.150 nan 0.000 0.497 383 N N -0.957 117.751 118.700 0.012 0.000 2.735 383 N HA -0.168 4.561 4.740 -0.018 0.000 0.248 383 N C 0.472 176.016 175.510 0.057 0.000 1.083 383 N CA 1.016 54.096 53.050 0.050 0.000 0.703 383 N CB -1.633 36.881 38.487 0.044 0.000 1.005 383 N HN 0.574 nan 8.380 nan 0.000 0.550 384 L N -0.463 120.792 121.223 0.052 0.000 2.446 384 L HA 0.082 4.411 4.340 -0.018 0.000 0.219 384 L C 2.159 179.074 176.870 0.075 0.000 1.116 384 L CA 0.098 54.968 54.840 0.050 0.000 0.844 384 L CB -0.063 42.015 42.059 0.032 0.000 0.970 384 L HN 0.172 nan 8.230 nan 0.000 0.457 385 I N 0.717 121.362 120.570 0.124 0.000 2.142 385 I HA -0.141 4.018 4.170 -0.018 0.000 0.240 385 I C -0.008 176.152 176.117 0.073 0.000 1.078 385 I CA 1.599 62.981 61.300 0.137 0.000 1.343 385 I CB -2.415 35.754 38.000 0.283 0.000 1.046 385 I HN 0.120 nan 8.210 nan 0.000 0.405 386 P HA -0.128 nan 4.420 nan 0.000 0.214 386 P C -1.211 176.098 177.300 0.016 0.000 1.163 386 P CA 2.202 65.312 63.100 0.017 0.000 0.889 386 P CB -1.429 30.283 31.700 0.020 0.000 0.790 387 P HA -0.094 nan 4.420 nan 0.000 0.223 387 P C 1.506 178.822 177.300 0.027 0.000 1.151 387 P CA 0.974 64.087 63.100 0.023 0.000 0.787 387 P CB -0.314 31.401 31.700 0.026 0.000 0.788 388 L N -0.332 120.912 121.223 0.035 0.000 2.056 388 L HA -0.085 4.245 4.340 -0.018 0.000 0.207 388 L C 2.699 179.587 176.870 0.031 0.000 1.078 388 L CA 1.426 56.291 54.840 0.041 0.000 0.749 388 L CB -1.553 40.538 42.059 0.053 0.000 0.901 388 L HN -0.173 nan 8.230 nan 0.000 0.433 389 V N -0.676 119.249 119.914 0.018 0.000 2.358 389 V HA -0.287 3.822 4.120 -0.018 0.000 0.246 389 V C 2.579 178.672 176.094 -0.002 0.000 1.047 389 V CA 1.670 63.970 62.300 0.000 0.000 1.035 389 V CB -0.454 31.355 31.823 -0.023 0.000 0.658 389 V HN 0.402 nan 8.190 nan 0.000 0.452 390 K N 0.174 120.574 120.400 -0.000 0.000 2.032 390 K HA -0.164 4.145 4.320 -0.018 0.000 0.209 390 K C 1.993 178.599 176.600 0.009 0.000 1.048 390 K CA 1.718 58.005 56.287 0.001 0.000 0.927 390 K CB -0.381 32.120 32.500 0.002 0.000 0.712 390 K HN 0.378 nan 8.250 nan 0.000 0.441 391 L N 0.330 121.564 121.223 0.019 0.000 2.131 391 L HA -0.157 4.173 4.340 -0.018 0.000 0.210 391 L C 2.258 179.144 176.870 0.027 0.000 1.092 391 L CA 0.463 55.319 54.840 0.026 0.000 0.759 391 L CB -0.394 41.688 42.059 0.037 0.000 0.903 391 L HN 0.239 nan 8.230 nan 0.000 0.435 392 L N 0.151 121.389 121.223 0.024 0.000 2.275 392 L HA -0.182 4.147 4.340 -0.018 0.000 0.215 392 L C 2.361 179.237 176.870 0.010 0.000 1.119 392 L CA 1.635 56.488 54.840 0.021 0.000 0.790 392 L CB -0.386 41.682 42.059 0.015 0.000 0.919 392 L HN 0.371 nan 8.230 nan 0.000 0.443 393 E N -1.543 118.661 120.200 0.005 0.000 2.216 393 E HA -0.018 4.321 4.350 -0.018 0.000 0.192 393 E C 1.469 178.072 176.600 0.004 0.000 0.973 393 E CA 1.164 57.565 56.400 0.000 0.000 0.851 393 E CB -0.091 29.605 29.700 -0.008 0.000 0.804 393 E HN 0.381 nan 8.360 nan 0.000 0.477 394 V N -2.661 117.258 119.914 0.008 0.000 3.382 394 V HA 0.555 4.664 4.120 -0.018 0.000 0.296 394 V C 0.643 176.746 176.094 0.014 0.000 1.529 394 V CA -0.203 62.102 62.300 0.009 0.000 1.048 394 V CB 0.350 32.177 31.823 0.007 0.000 0.878 394 V HN 0.206 nan 8.190 nan 0.000 0.442 395 A N 0.636 123.467 122.820 0.020 0.000 2.272 395 A HA 0.575 4.885 4.320 -0.018 0.000 0.275 395 A C 0.319 177.918 177.584 0.025 0.000 1.096 395 A CA -0.381 51.670 52.037 0.024 0.000 0.822 395 A CB 0.104 19.123 19.000 0.032 0.000 1.088 395 A HN 0.589 nan 8.150 nan 0.000 0.495 396 E N -0.286 119.929 120.200 0.026 0.000 2.459 396 E HA -0.050 4.289 4.350 -0.018 0.000 0.264 396 E C -0.030 176.588 176.600 0.030 0.000 1.055 396 E CA -0.049 56.366 56.400 0.025 0.000 0.957 396 E CB 0.359 30.074 29.700 0.025 0.000 0.952 396 E HN 0.601 nan 8.360 nan 0.000 0.448 397 D N 2.057 122.474 120.400 0.028 0.000 2.133 397 D HA -0.237 4.393 4.640 -0.018 0.000 0.192 397 D C 1.852 178.179 176.300 0.044 0.000 1.001 397 D CA 1.734 55.754 54.000 0.032 0.000 0.844 397 D CB -0.039 40.777 40.800 0.027 0.000 0.944 397 D HN 0.501 nan 8.370 nan 0.000 0.447 398 K N -0.302 120.123 120.400 0.041 0.000 2.147 398 K HA -0.069 4.240 4.320 -0.018 0.000 0.205 398 K C 1.811 178.450 176.600 0.066 0.000 1.049 398 K CA 1.343 57.659 56.287 0.049 0.000 0.936 398 K CB -0.423 32.096 32.500 0.031 0.000 0.722 398 K HN -0.028 nan 8.250 nan 0.000 0.446 399 T N 1.259 115.849 114.554 0.059 0.000 2.896 399 T HA 0.018 4.357 4.350 -0.018 0.000 0.263 399 T C 1.581 176.331 174.700 0.083 0.000 1.050 399 T CA 0.899 63.041 62.100 0.070 0.000 1.140 399 T CB 0.035 68.936 68.868 0.055 0.000 0.877 399 T HN 0.298 nan 8.240 nan 0.000 0.457 400 K N 1.122 121.563 120.400 0.068 0.000 2.097 400 K HA -0.058 4.251 4.320 -0.018 0.000 0.206 400 K C 2.325 178.978 176.600 0.088 0.000 1.049 400 K CA 1.081 57.406 56.287 0.064 0.000 0.933 400 K CB -0.034 32.492 32.500 0.043 0.000 0.717 400 K HN 0.287 nan 8.250 nan 0.000 0.442 401 K N 0.750 121.217 120.400 0.111 0.000 2.002 401 K HA -0.163 4.146 4.320 -0.018 0.000 0.209 401 K C 2.101 178.880 176.600 0.297 0.000 1.048 401 K CA 1.287 57.672 56.287 0.163 0.000 0.930 401 K CB -0.056 32.554 32.500 0.182 0.000 0.714 401 K HN -0.029 nan 8.250 nan 0.000 0.438 402 E N 0.787 121.155 120.200 0.279 0.000 2.070 402 E HA -0.179 4.160 4.350 -0.018 0.000 0.197 402 E C 1.818 178.582 176.600 0.274 0.000 1.004 402 E CA 1.594 58.182 56.400 0.312 0.000 0.805 402 E CB -0.299 29.531 29.700 0.218 0.000 0.744 402 E HN 0.344 nan 8.360 nan 0.000 0.451 403 A N -0.145 122.784 122.820 0.181 0.000 1.972 403 A HA -0.208 4.101 4.320 -0.018 0.000 0.219 403 A C 2.543 180.205 177.584 0.130 0.000 1.169 403 A CA 1.532 53.651 52.037 0.136 0.000 0.635 403 A CB -1.119 17.935 19.000 0.091 0.000 0.810 403 A HN 0.506 nan 8.150 nan 0.000 0.446 404 C N -1.676 117.693 119.300 0.115 0.000 2.453 404 C HA -0.121 4.328 4.460 -0.018 0.000 0.277 404 C C 2.348 177.367 174.990 0.048 0.000 1.262 404 C CA 1.106 60.146 59.018 0.036 0.000 1.718 404 C CB -1.686 26.032 27.740 -0.036 0.000 2.031 404 C HN 0.738 nan 8.230 nan 0.000 0.480 405 W N 1.185 122.514 121.300 0.049 0.000 2.318 405 W HA -0.153 4.497 4.660 -0.016 0.000 0.313 405 W C 2.742 179.284 176.519 0.038 0.000 1.221 405 W CA 2.042 59.418 57.345 0.051 0.000 1.266 405 W CB -0.652 28.854 29.460 0.076 0.000 1.150 405 W HN 0.440 nan 8.180 nan 0.000 0.496 406 A N -0.142 122.850 122.820 0.287 0.000 1.908 406 A HA -0.193 4.116 4.320 -0.018 0.000 0.218 406 A C 1.856 179.510 177.584 0.117 0.000 1.181 406 A CA 1.920 54.056 52.037 0.165 0.000 0.627 406 A CB -0.878 18.194 19.000 0.121 0.000 0.818 406 A HN 0.325 nan 8.150 nan 0.000 0.445 407 I N -1.210 119.418 120.570 0.096 0.000 2.333 407 I HA -0.139 4.020 4.170 -0.018 0.000 0.246 407 I C 2.815 178.962 176.117 0.050 0.000 1.106 407 I CA 1.227 62.565 61.300 0.064 0.000 1.411 407 I CB -0.095 37.931 38.000 0.044 0.000 1.082 407 I HN 0.400 nan 8.210 nan 0.000 0.420 408 S N 1.126 116.847 115.700 0.035 0.000 2.348 408 S HA -0.195 4.264 4.470 -0.018 0.000 0.221 408 S C 1.942 176.571 174.600 0.047 0.000 1.033 408 S CA 1.786 59.988 58.200 0.004 0.000 1.010 408 S CB -0.309 62.839 63.200 -0.087 0.000 0.891 408 S HN 0.383 nan 8.310 nan 0.000 0.442 409 N N 2.125 120.891 118.700 0.111 0.000 2.094 409 N HA -0.077 4.652 4.740 -0.018 0.000 0.191 409 N C 1.828 177.381 175.510 0.072 0.000 1.023 409 N CA 1.497 54.619 53.050 0.121 0.000 0.857 409 N CB -0.961 37.619 38.487 0.155 0.000 1.013 409 N HN 0.555 nan 8.380 nan 0.000 0.426 410 A N 0.475 123.333 122.820 0.065 0.000 1.972 410 A HA -0.106 4.203 4.320 -0.018 0.000 0.219 410 A C 2.221 179.831 177.584 0.042 0.000 1.169 410 A CA 1.809 53.875 52.037 0.049 0.000 0.635 410 A CB -0.675 18.359 19.000 0.056 0.000 0.810 410 A HN 0.456 nan 8.150 nan 0.000 0.446 411 S N -0.631 115.092 115.700 0.039 0.000 2.607 411 S HA -0.008 4.452 4.470 -0.018 0.000 0.224 411 S C 1.657 176.271 174.600 0.024 0.000 0.969 411 S CA 1.018 59.235 58.200 0.029 0.000 0.927 411 S CB -0.379 62.832 63.200 0.018 0.000 0.772 411 S HN 0.401 nan 8.310 nan 0.000 0.533 412 S N 1.729 117.447 115.700 0.030 0.000 2.382 412 S HA 0.035 4.494 4.470 -0.018 0.000 0.228 412 S C 1.918 176.531 174.600 0.023 0.000 1.027 412 S CA 1.140 59.357 58.200 0.028 0.000 0.991 412 S CB -0.840 62.383 63.200 0.037 0.000 0.823 412 S HN 0.775 nan 8.310 nan 0.000 0.469 413 G N 0.576 109.390 108.800 0.022 0.000 2.848 413 G HA2 0.189 4.138 3.960 -0.018 0.000 0.208 413 G HA3 0.189 4.138 3.960 -0.018 0.000 0.208 413 G C 1.144 176.053 174.900 0.015 0.000 1.152 413 G CA 0.456 45.566 45.100 0.016 0.000 0.789 413 G HN 0.538 nan 8.290 nan 0.000 0.531 414 G N 0.696 109.507 108.800 0.018 0.000 2.598 414 G HA2 -0.024 3.925 3.960 -0.018 0.000 0.215 414 G HA3 -0.024 3.925 3.960 -0.018 0.000 0.215 414 G C 1.542 176.450 174.900 0.013 0.000 1.131 414 G CA 0.299 45.410 45.100 0.017 0.000 0.785 414 G HN 0.436 nan 8.290 nan 0.000 0.539 415 L N -0.899 120.332 121.223 0.013 0.000 2.162 415 L HA 0.076 4.405 4.340 -0.018 0.000 0.205 415 L C 2.683 179.559 176.870 0.010 0.000 1.086 415 L CA 0.798 55.645 54.840 0.012 0.000 0.778 415 L CB -0.454 41.613 42.059 0.014 0.000 0.928 415 L HN 0.226 nan 8.230 nan 0.000 0.446 416 Q N -0.194 119.611 119.800 0.009 0.000 2.402 416 Q HA 0.088 4.418 4.340 -0.018 0.000 0.206 416 Q C 0.750 176.753 176.000 0.005 0.000 0.919 416 Q CA 0.238 56.044 55.803 0.006 0.000 0.923 416 Q CB 0.634 29.375 28.738 0.005 0.000 1.048 416 Q HN 0.212 nan 8.270 nan 0.000 0.515 417 R N 0.874 121.378 120.500 0.007 0.000 2.680 417 R HA 0.166 4.496 4.340 -0.018 0.000 0.278 417 R C -2.343 173.965 176.300 0.013 0.000 1.582 417 R CA -1.600 54.503 56.100 0.006 0.000 1.177 417 R CB 0.952 31.252 30.300 0.000 0.000 1.232 417 R HN -0.108 nan 8.270 nan 0.000 0.528 418 P HA -0.125 nan 4.420 nan 0.000 0.220 418 P C 0.017 177.335 177.300 0.031 0.000 1.148 418 P CA 1.170 64.282 63.100 0.020 0.000 0.803 418 P CB 0.356 32.066 31.700 0.015 0.000 0.782 419 D N -0.175 120.242 120.400 0.028 0.000 2.228 419 D HA -0.159 4.470 4.640 -0.018 0.000 0.203 419 D C 1.913 178.251 176.300 0.063 0.000 0.988 419 D CA 0.913 54.937 54.000 0.041 0.000 0.864 419 D CB -0.630 40.181 40.800 0.019 0.000 0.928 419 D HN 0.227 nan 8.370 nan 0.000 0.469 420 I N 0.330 120.927 120.570 0.046 0.000 2.202 420 I HA -0.197 3.962 4.170 -0.018 0.000 0.242 420 I C 2.024 178.205 176.117 0.107 0.000 1.091 420 I CA 0.591 61.929 61.300 0.064 0.000 1.368 420 I CB -0.048 37.972 38.000 0.033 0.000 1.058 420 I HN 0.067 nan 8.210 nan 0.000 0.410 421 I N 0.558 121.171 120.570 0.072 0.000 2.315 421 I HA -0.234 3.925 4.170 -0.018 0.000 0.248 421 I C 2.624 178.788 176.117 0.078 0.000 1.117 421 I CA 1.489 62.828 61.300 0.064 0.000 1.404 421 I CB -1.115 36.906 38.000 0.035 0.000 1.071 421 I HN 0.267 nan 8.210 nan 0.000 0.419 422 R N -0.255 120.296 120.500 0.085 0.000 2.091 422 R HA -0.243 4.086 4.340 -0.018 0.000 0.238 422 R C 2.377 178.740 176.300 0.105 0.000 1.136 422 R CA 1.809 57.962 56.100 0.088 0.000 0.959 422 R CB -0.586 29.765 30.300 0.085 0.000 0.856 422 R HN 0.370 nan 8.270 nan 0.000 0.437 423 Y N 1.376 121.683 120.300 0.011 0.000 2.200 423 Y HA -0.130 4.409 4.550 -0.018 0.000 0.290 423 Y C 1.992 177.893 175.900 0.001 0.000 1.137 423 Y CA 1.298 59.401 58.100 0.006 0.000 1.163 423 Y CB -0.190 38.272 38.460 0.003 0.000 0.988 423 Y HN -0.066 nan 8.280 nan 0.000 0.518 424 L N -0.932 120.347 121.223 0.094 0.000 2.012 424 L HA -0.255 4.074 4.340 -0.018 0.000 0.210 424 L C 2.368 179.185 176.870 -0.088 0.000 1.073 424 L CA 1.320 56.157 54.840 -0.006 0.000 0.748 424 L CB -0.881 41.213 42.059 0.059 0.000 0.891 424 L HN 0.144 nan 8.230 nan 0.000 0.431 425 V N -0.188 119.701 119.914 -0.042 0.000 2.287 425 V HA -0.301 3.808 4.120 -0.018 0.000 0.248 425 V C 2.734 178.748 176.094 -0.133 0.000 1.053 425 V CA 2.148 64.420 62.300 -0.046 0.000 1.027 425 V CB -0.618 31.235 31.823 0.049 0.000 0.646 425 V HN 0.660 nan 8.190 nan 0.000 0.447 426 S N -0.597 115.018 115.700 -0.142 0.000 2.447 426 S HA -0.189 4.270 4.470 -0.018 0.000 0.233 426 S C 1.730 176.178 174.600 -0.254 0.000 1.006 426 S CA 0.877 58.970 58.200 -0.178 0.000 0.957 426 S CB -0.312 62.814 63.200 -0.122 0.000 0.773 426 S HN 0.604 nan 8.310 nan 0.000 0.507 427 Q N 0.818 120.412 119.800 -0.343 0.000 2.444 427 Q HA 0.221 4.550 4.340 -0.018 0.000 0.206 427 Q C 1.247 177.131 176.000 -0.192 0.000 0.948 427 Q CA 0.641 56.261 55.803 -0.306 0.000 0.946 427 Q CB -0.271 28.226 28.738 -0.401 0.000 1.027 427 Q HN 0.835 nan 8.270 nan 0.000 0.513 428 G N 1.381 110.071 108.800 -0.183 0.000 2.212 428 G HA2 -0.304 3.645 3.960 -0.018 0.000 0.255 428 G HA3 -0.304 3.645 3.960 -0.018 0.000 0.255 428 G C 0.783 175.617 174.900 -0.109 0.000 1.062 428 G CA 0.290 45.296 45.100 -0.157 0.000 0.815 428 G HN 0.530 nan 8.290 nan 0.000 0.497 429 C N -1.731 117.514 119.300 -0.092 0.000 2.563 429 C HA 0.498 4.947 4.460 -0.018 0.000 0.268 429 C C 2.485 177.451 174.990 -0.039 0.000 1.365 429 C CA 0.666 59.653 59.018 -0.053 0.000 1.754 429 C CB -0.920 26.799 27.740 -0.035 0.000 1.932 429 C HN 0.541 nan 8.230 nan 0.000 0.536 430 I N 1.776 122.321 120.570 -0.043 0.000 2.099 430 I HA -0.225 3.934 4.170 -0.018 0.000 0.239 430 I C 2.958 179.066 176.117 -0.015 0.000 1.066 430 I CA 2.159 63.451 61.300 -0.014 0.000 1.324 430 I CB -0.500 37.507 38.000 0.012 0.000 1.037 430 I HN 0.347 nan 8.210 nan 0.000 0.401 431 K N 0.704 121.084 120.400 -0.032 0.000 2.020 431 K HA -0.189 4.120 4.320 -0.018 0.000 0.212 431 K C -0.571 176.017 176.600 -0.020 0.000 1.050 431 K CA 1.985 58.257 56.287 -0.025 0.000 0.929 431 K CB -0.930 31.547 32.500 -0.037 0.000 0.714 431 K HN 0.163 nan 8.250 nan 0.000 0.443 432 P HA -0.149 nan 4.420 nan 0.000 0.216 432 P C 1.142 178.434 177.300 -0.014 0.000 1.150 432 P CA 1.202 64.292 63.100 -0.016 0.000 0.837 432 P CB 0.043 31.733 31.700 -0.017 0.000 0.786 433 L N -1.378 119.835 121.223 -0.016 0.000 2.005 433 L HA -0.188 4.141 4.340 -0.018 0.000 0.207 433 L C 2.633 179.493 176.870 -0.016 0.000 1.072 433 L CA 1.522 56.351 54.840 -0.019 0.000 0.744 433 L CB -1.310 40.738 42.059 -0.020 0.000 0.895 433 L HN 0.041 nan 8.230 nan 0.000 0.433 434 C N 0.163 119.458 119.300 -0.009 0.000 2.398 434 C HA -0.213 4.236 4.460 -0.018 0.000 0.276 434 C C 2.366 177.352 174.990 -0.008 0.000 1.222 434 C CA 0.922 59.937 59.018 -0.005 0.000 1.746 434 C CB -0.882 26.859 27.740 0.001 0.000 2.039 434 C HN 0.554 nan 8.230 nan 0.000 0.470 435 D N 0.061 120.456 120.400 -0.008 0.000 2.310 435 D HA -0.062 4.567 4.640 -0.018 0.000 0.212 435 D C 1.663 177.960 176.300 -0.006 0.000 0.965 435 D CA 0.676 54.672 54.000 -0.007 0.000 0.879 435 D CB -0.339 40.457 40.800 -0.006 0.000 0.921 435 D HN 0.367 nan 8.370 nan 0.000 0.510 436 L N 0.226 121.443 121.223 -0.010 0.000 2.558 436 L HA 0.115 4.444 4.340 -0.018 0.000 0.225 436 L C 1.803 178.664 176.870 -0.015 0.000 1.128 436 L CA 0.466 55.299 54.840 -0.012 0.000 0.868 436 L CB -0.018 42.030 42.059 -0.018 0.000 1.006 436 L HN -0.044 nan 8.230 nan 0.000 0.454 437 L N -0.938 120.276 121.223 -0.015 0.000 2.362 437 L HA -0.133 4.196 4.340 -0.018 0.000 0.219 437 L C 1.829 178.693 176.870 -0.009 0.000 1.134 437 L CA 0.931 55.762 54.840 -0.015 0.000 0.807 437 L CB -0.210 41.842 42.059 -0.011 0.000 0.927 437 L HN 0.372 nan 8.230 nan 0.000 0.447 438 E N -0.382 119.815 120.200 -0.005 0.000 2.447 438 E HA 0.005 4.344 4.350 -0.018 0.000 0.195 438 E C 0.520 177.120 176.600 -0.000 0.000 1.028 438 E CA -0.406 55.993 56.400 -0.002 0.000 0.876 438 E CB 0.458 30.159 29.700 0.001 0.000 0.885 438 E HN 0.176 nan 8.360 nan 0.000 0.500 439 I N 1.670 122.239 120.570 -0.001 0.000 3.017 439 I HA -0.197 3.962 4.170 -0.018 0.000 0.310 439 I C 0.260 176.379 176.117 0.004 0.000 1.220 439 I CA 0.299 61.601 61.300 0.003 0.000 1.450 439 I CB 0.656 38.658 38.000 0.004 0.000 1.317 439 I HN -0.062 nan 8.210 nan 0.000 0.570 440 A N 6.384 129.209 122.820 0.008 0.000 3.126 440 A HA 0.360 4.670 4.320 -0.018 0.000 0.268 440 A C -0.315 177.278 177.584 0.014 0.000 1.605 440 A CA -0.136 51.906 52.037 0.009 0.000 1.305 440 A CB -0.710 18.295 19.000 0.009 0.000 1.160 440 A HN 0.630 nan 8.150 nan 0.000 0.609 441 D N 0.735 121.144 120.400 0.014 0.000 2.354 441 D HA 0.101 4.730 4.640 -0.018 0.000 0.230 441 D C 0.017 176.327 176.300 0.016 0.000 1.361 441 D CA -0.427 53.586 54.000 0.022 0.000 0.992 441 D CB 0.590 41.410 40.800 0.034 0.000 1.409 441 D HN 0.198 nan 8.370 nan 0.000 0.573 442 N N 2.157 120.868 118.700 0.019 0.000 2.289 442 N HA -0.149 4.580 4.740 -0.018 0.000 0.184 442 N C 1.616 177.134 175.510 0.013 0.000 1.016 442 N CA 0.591 53.649 53.050 0.013 0.000 0.872 442 N CB 0.091 38.590 38.487 0.019 0.000 0.973 442 N HN 0.365 nan 8.380 nan 0.000 0.433 443 R N 1.167 121.689 120.500 0.038 0.000 2.083 443 R HA 0.011 4.341 4.340 -0.018 0.000 0.237 443 R C 1.928 178.211 176.300 -0.028 0.000 1.137 443 R CA 1.050 57.186 56.100 0.061 0.000 0.951 443 R CB -0.417 29.971 30.300 0.147 0.000 0.851 443 R HN 0.136 nan 8.270 nan 0.000 0.434 444 I N 0.017 120.563 120.570 -0.040 0.000 2.406 444 I HA -0.128 4.031 4.170 -0.018 0.000 0.249 444 I C 2.217 178.248 176.117 -0.143 0.000 1.122 444 I CA 0.869 62.083 61.300 -0.143 0.000 1.431 444 I CB -0.796 37.166 38.000 -0.063 0.000 1.087 444 I HN 0.172 nan 8.210 nan 0.000 0.424 445 I N 0.948 121.474 120.570 -0.074 0.000 2.145 445 I HA -0.356 3.804 4.170 -0.018 0.000 0.244 445 I C 2.612 178.681 176.117 -0.081 0.000 1.075 445 I CA 1.663 62.926 61.300 -0.061 0.000 1.332 445 I CB -0.258 37.725 38.000 -0.028 0.000 1.033 445 I HN 0.307 nan 8.210 nan 0.000 0.410 446 E N 0.423 120.572 120.200 -0.086 0.000 2.072 446 E HA -0.181 4.158 4.350 -0.018 0.000 0.191 446 E C 2.306 178.817 176.600 -0.149 0.000 0.985 446 E CA 1.320 57.669 56.400 -0.084 0.000 0.801 446 E CB 0.163 29.832 29.700 -0.052 0.000 0.750 446 E HN 0.282 nan 8.360 nan 0.000 0.452 447 V N 0.771 120.517 119.914 -0.280 0.000 2.490 447 V HA -0.249 3.860 4.120 -0.018 0.000 0.250 447 V C 2.261 178.198 176.094 -0.261 0.000 1.061 447 V CA 2.117 64.169 62.300 -0.413 0.000 1.064 447 V CB -0.626 30.682 31.823 -0.858 0.000 0.670 447 V HN 0.360 nan 8.190 nan 0.000 0.461 448 T N 0.154 114.588 114.554 -0.199 0.000 2.770 448 T HA -0.008 4.332 4.350 -0.018 0.000 0.263 448 T C 1.881 176.536 174.700 -0.076 0.000 1.039 448 T CA 1.175 63.201 62.100 -0.124 0.000 1.142 448 T CB -0.216 68.593 68.868 -0.099 0.000 0.868 448 T HN 0.292 nan 8.240 nan 0.000 0.435 449 L N 1.033 122.220 121.223 -0.061 0.000 2.131 449 L HA -0.110 4.219 4.340 -0.018 0.000 0.210 449 L C 2.407 179.261 176.870 -0.026 0.000 1.092 449 L CA 1.002 55.826 54.840 -0.027 0.000 0.759 449 L CB -0.578 41.473 42.059 -0.013 0.000 0.903 449 L HN 0.188 nan 8.230 nan 0.000 0.435 450 D N 0.369 120.739 120.400 -0.050 0.000 2.097 450 D HA -0.155 4.474 4.640 -0.018 0.000 0.195 450 D C 2.256 178.534 176.300 -0.037 0.000 0.989 450 D CA 1.555 55.532 54.000 -0.039 0.000 0.827 450 D CB 0.009 40.777 40.800 -0.054 0.000 0.966 450 D HN 0.297 nan 8.370 nan 0.000 0.456 451 A N 0.689 123.476 122.820 -0.055 0.000 1.908 451 A HA -0.136 4.174 4.320 -0.018 0.000 0.218 451 A C 2.407 179.972 177.584 -0.032 0.000 1.181 451 A CA 1.034 53.047 52.037 -0.040 0.000 0.627 451 A CB -0.763 18.209 19.000 -0.047 0.000 0.818 451 A HN 0.215 nan 8.150 nan 0.000 0.445 452 L N -1.047 120.158 121.223 -0.030 0.000 2.156 452 L HA -0.121 4.208 4.340 -0.018 0.000 0.208 452 L C 2.562 179.397 176.870 -0.059 0.000 1.095 452 L CA 1.528 56.353 54.840 -0.025 0.000 0.770 452 L CB -0.365 41.696 42.059 0.003 0.000 0.914 452 L HN 0.644 nan 8.230 nan 0.000 0.439 453 E N 0.410 120.583 120.200 -0.044 0.000 2.072 453 E HA -0.210 4.129 4.350 -0.018 0.000 0.190 453 E C 1.926 178.468 176.600 -0.096 0.000 0.982 453 E CA 1.147 57.508 56.400 -0.065 0.000 0.803 453 E CB 0.110 29.825 29.700 0.024 0.000 0.755 453 E HN 0.366 nan 8.360 nan 0.000 0.453 454 N N 0.970 119.641 118.700 -0.049 0.000 2.036 454 N HA -0.207 4.522 4.740 -0.018 0.000 0.195 454 N C 1.996 177.466 175.510 -0.066 0.000 1.037 454 N CA 1.614 54.640 53.050 -0.040 0.000 0.855 454 N CB -0.391 38.086 38.487 -0.015 0.000 1.033 454 N HN 0.316 nan 8.380 nan 0.000 0.423 455 I N 0.820 121.348 120.570 -0.069 0.000 2.264 455 I HA -0.246 3.913 4.170 -0.018 0.000 0.248 455 I C 2.047 178.077 176.117 -0.145 0.000 1.111 455 I CA 0.852 62.111 61.300 -0.068 0.000 1.382 455 I CB -0.166 37.813 38.000 -0.035 0.000 1.060 455 I HN 0.084 nan 8.210 nan 0.000 0.418 456 L N 0.183 121.237 121.223 -0.282 0.000 2.072 456 L HA -0.172 4.157 4.340 -0.018 0.000 0.205 456 L C 2.536 179.092 176.870 -0.523 0.000 1.079 456 L CA 1.283 55.780 54.840 -0.572 0.000 0.752 456 L CB -0.474 40.913 42.059 -1.120 0.000 0.906 456 L HN 0.097 nan 8.230 nan 0.000 0.436 457 K N -0.467 119.734 120.400 -0.332 0.000 2.074 457 K HA -0.246 4.064 4.320 -0.018 0.000 0.209 457 K C 2.149 178.729 176.600 -0.033 0.000 1.048 457 K CA 1.608 57.862 56.287 -0.055 0.000 0.926 457 K CB -0.174 32.333 32.500 0.011 0.000 0.713 457 K HN 0.222 nan 8.250 nan 0.000 0.444 458 M N 0.181 119.747 119.600 -0.056 0.000 2.236 458 M HA -0.059 4.410 4.480 -0.018 0.000 0.266 458 M C 2.020 178.298 176.300 -0.037 0.000 1.070 458 M CA 1.595 56.878 55.300 -0.028 0.000 1.137 458 M CB -0.607 31.983 32.600 -0.017 0.000 1.378 458 M HN 0.209 nan 8.290 nan 0.000 0.426 459 G N -0.059 108.697 108.800 -0.072 0.000 2.450 459 G HA2 -0.281 3.668 3.960 -0.018 0.000 0.220 459 G HA3 -0.281 3.668 3.960 -0.018 0.000 0.220 459 G C 1.332 176.196 174.900 -0.061 0.000 1.130 459 G CA 1.337 46.389 45.100 -0.079 0.000 0.760 459 G HN 0.559 nan 8.290 nan 0.000 0.557 460 E N 0.568 120.747 120.200 -0.035 0.000 2.076 460 E HA 0.206 4.545 4.350 -0.018 0.000 0.190 460 E C 2.647 179.256 176.600 0.016 0.000 0.979 460 E CA 1.114 57.530 56.400 0.027 0.000 0.807 460 E CB -0.411 29.389 29.700 0.166 0.000 0.761 460 E HN 0.244 nan 8.360 nan 0.000 0.454 461 A N 0.293 123.122 122.820 0.014 0.000 2.015 461 A HA -0.148 4.161 4.320 -0.018 0.000 0.219 461 A C 1.907 179.490 177.584 -0.002 0.000 1.163 461 A CA 1.721 53.763 52.037 0.008 0.000 0.646 461 A CB -0.636 18.370 19.000 0.010 0.000 0.806 461 A HN 0.340 nan 8.150 nan 0.000 0.448 462 D N 0.034 120.429 120.400 -0.009 0.000 2.117 462 D HA -0.169 4.460 4.640 -0.018 0.000 0.198 462 D C 2.088 178.378 176.300 -0.017 0.000 0.982 462 D CA 1.703 55.696 54.000 -0.012 0.000 0.828 462 D CB -0.024 40.766 40.800 -0.018 0.000 0.967 462 D HN 0.668 nan 8.370 nan 0.000 0.464 463 K N -0.082 120.304 120.400 -0.023 0.000 2.243 463 K HA 0.015 4.325 4.320 -0.018 0.000 0.201 463 K C 1.653 178.241 176.600 -0.020 0.000 1.051 463 K CA 0.758 57.029 56.287 -0.027 0.000 0.970 463 K CB 0.134 32.610 32.500 -0.039 0.000 0.755 463 K HN -0.049 nan 8.250 nan 0.000 0.465 464 E N 1.291 121.482 120.200 -0.014 0.000 2.112 464 E HA -0.041 4.298 4.350 -0.018 0.000 0.190 464 E C 2.150 178.744 176.600 -0.010 0.000 0.979 464 E CA 1.250 57.642 56.400 -0.012 0.000 0.814 464 E CB -0.169 29.525 29.700 -0.009 0.000 0.762 464 E HN 0.478 nan 8.360 nan 0.000 0.460 465 A N 1.892 124.708 122.820 -0.008 0.000 1.969 465 A HA -0.151 4.158 4.320 -0.018 0.000 0.218 465 A C 1.777 179.357 177.584 -0.007 0.000 1.169 465 A CA 1.365 53.399 52.037 -0.006 0.000 0.635 465 A CB -0.274 18.724 19.000 -0.004 0.000 0.810 465 A HN 0.216 nan 8.150 nan 0.000 0.445 466 R N -1.759 118.736 120.500 -0.009 0.000 2.776 466 R HA 0.417 4.747 4.340 -0.018 0.000 0.391 466 R C 0.630 176.922 176.300 -0.013 0.000 1.116 466 R CA 0.181 56.275 56.100 -0.010 0.000 1.056 466 R CB -0.869 29.426 30.300 -0.008 0.000 1.369 466 R HN 0.572 nan 8.270 nan 0.000 0.590 467 G N 1.498 110.290 108.800 -0.014 0.000 2.379 467 G HA2 -0.257 3.692 3.960 -0.018 0.000 0.297 467 G HA3 -0.257 3.692 3.960 -0.018 0.000 0.297 467 G C 0.068 174.957 174.900 -0.018 0.000 1.004 467 G CA 0.278 45.369 45.100 -0.015 0.000 0.921 467 G HN 0.340 nan 8.290 nan 0.000 0.511 468 L N -0.939 120.270 121.223 -0.023 0.000 2.454 468 L HA 0.363 4.692 4.340 -0.018 0.000 0.256 468 L C 1.371 178.223 176.870 -0.031 0.000 1.136 468 L CA 0.048 54.871 54.840 -0.028 0.000 0.804 468 L CB 0.999 43.038 42.059 -0.034 0.000 1.181 468 L HN 0.255 nan 8.230 nan 0.000 0.469 469 N N -0.042 118.637 118.700 -0.034 0.000 2.230 469 N HA 0.250 4.979 4.740 -0.018 0.000 0.202 469 N C -0.513 174.970 175.510 -0.045 0.000 1.119 469 N CA -0.053 52.976 53.050 -0.036 0.000 0.851 469 N CB 0.440 38.910 38.487 -0.030 0.000 0.990 469 N HN 0.440 nan 8.380 nan 0.000 0.497 470 I N -3.205 117.332 120.570 -0.055 0.000 2.619 470 I HA 0.428 4.587 4.170 -0.018 0.000 0.292 470 I C -1.126 174.936 176.117 -0.092 0.000 1.100 470 I CA -1.163 60.093 61.300 -0.073 0.000 1.043 470 I CB 1.712 39.665 38.000 -0.078 0.000 1.239 470 I HN -0.222 nan 8.210 nan 0.000 0.420 471 N N 4.665 123.301 118.700 -0.106 0.000 2.415 471 N HA 0.080 4.809 4.740 -0.018 0.000 0.250 471 N C 0.696 176.088 175.510 -0.197 0.000 1.127 471 N CA 0.380 53.352 53.050 -0.130 0.000 0.945 471 N CB 0.912 39.324 38.487 -0.126 0.000 1.196 471 N HN 0.777 nan 8.380 nan 0.000 0.499 472 E N 2.354 122.411 120.200 -0.239 0.000 2.160 472 E HA -0.201 4.138 4.350 -0.018 0.000 0.195 472 E C 0.572 176.795 176.600 -0.628 0.000 0.991 472 E CA 1.025 57.159 56.400 -0.442 0.000 0.810 472 E CB 0.330 29.794 29.700 -0.393 0.000 0.742 472 E HN 0.539 nan 8.360 nan 0.000 0.466 473 N N 0.043 118.555 118.700 -0.314 0.000 2.207 473 N HA -0.056 4.673 4.740 -0.018 0.000 0.182 473 N C 1.604 177.074 175.510 -0.066 0.000 1.020 473 N CA 1.070 54.038 53.050 -0.136 0.000 0.858 473 N CB -0.393 38.061 38.487 -0.055 0.000 0.991 473 N HN 0.114 nan 8.380 nan 0.000 0.427 474 A N 1.165 123.906 122.820 -0.133 0.000 1.958 474 A HA -0.196 4.113 4.320 -0.018 0.000 0.221 474 A C 1.713 179.374 177.584 0.128 0.000 1.178 474 A CA 1.946 53.948 52.037 -0.059 0.000 0.642 474 A CB -0.488 18.309 19.000 -0.337 0.000 0.816 474 A HN 0.147 nan 8.150 nan 0.000 0.453 475 D N -1.335 119.041 120.400 -0.040 0.000 2.194 475 D HA 0.010 4.639 4.640 -0.018 0.000 0.204 475 D C 1.658 178.015 176.300 0.096 0.000 0.964 475 D CA 0.656 54.654 54.000 -0.003 0.000 0.846 475 D CB -0.375 40.346 40.800 -0.131 0.000 0.962 475 D HN 0.614 nan 8.370 nan 0.000 0.490 476 F N 0.506 120.484 119.950 0.047 0.000 2.134 476 F HA -0.097 4.419 4.527 -0.019 0.000 0.299 476 F C 2.289 178.114 175.800 0.043 0.000 1.097 476 F CA 0.280 58.298 58.000 0.030 0.000 1.264 476 F CB -0.098 38.908 39.000 0.009 0.000 1.001 476 F HN -0.072 nan 8.300 nan 0.000 0.479 477 I N -0.004 120.727 120.570 0.268 0.000 2.315 477 I HA -0.261 3.899 4.170 -0.018 0.000 0.248 477 I C 2.447 178.634 176.117 0.117 0.000 1.117 477 I CA 1.314 62.727 61.300 0.188 0.000 1.404 477 I CB -0.380 37.767 38.000 0.244 0.000 1.071 477 I HN 0.178 nan 8.210 nan 0.000 0.419 478 E N 1.310 121.601 120.200 0.153 0.000 2.047 478 E HA -0.230 4.109 4.350 -0.018 0.000 0.191 478 E C 2.039 178.666 176.600 0.045 0.000 0.987 478 E CA 1.142 57.577 56.400 0.057 0.000 0.799 478 E CB 0.125 29.902 29.700 0.128 0.000 0.752 478 E HN 0.343 nan 8.360 nan 0.000 0.449 479 K N -0.453 120.001 120.400 0.090 0.000 2.362 479 K HA -0.040 4.269 4.320 -0.018 0.000 0.200 479 K C 1.418 178.048 176.600 0.050 0.000 1.046 479 K CA 0.690 57.021 56.287 0.073 0.000 0.952 479 K CB 0.193 32.759 32.500 0.111 0.000 0.753 479 K HN 0.064 nan 8.250 nan 0.000 0.466 480 A N 0.206 123.055 122.820 0.049 0.000 2.345 480 A HA 0.268 4.577 4.320 -0.018 0.000 0.225 480 A C 1.095 178.682 177.584 0.006 0.000 1.243 480 A CA 0.489 52.540 52.037 0.023 0.000 0.875 480 A CB 0.011 19.026 19.000 0.025 0.000 0.929 480 A HN 0.318 nan 8.150 nan 0.000 0.502 481 G N -1.453 107.346 108.800 -0.003 0.000 2.176 481 G HA2 -0.170 3.779 3.960 -0.018 0.000 0.252 481 G HA3 -0.170 3.779 3.960 -0.018 0.000 0.252 481 G C 0.974 175.856 174.900 -0.030 0.000 1.024 481 G CA 0.488 45.576 45.100 -0.020 0.000 0.755 481 G HN 1.258 nan 8.290 nan 0.000 0.507 482 G N -0.754 108.024 108.800 -0.038 0.000 2.744 482 G HA2 0.292 4.241 3.960 -0.018 0.000 0.211 482 G HA3 0.292 4.241 3.960 -0.018 0.000 0.211 482 G C 1.442 176.272 174.900 -0.116 0.000 1.146 482 G CA 1.169 46.242 45.100 -0.044 0.000 0.787 482 G HN 0.549 nan 8.290 nan 0.000 0.534 483 M N 0.334 119.798 119.600 -0.226 0.000 2.077 483 M HA -0.019 4.450 4.480 -0.018 0.000 0.261 483 M C 2.459 178.654 176.300 -0.174 0.000 1.070 483 M CA 1.327 56.376 55.300 -0.420 0.000 1.125 483 M CB 0.010 32.259 32.600 -0.585 0.000 1.339 483 M HN 0.033 nan 8.290 nan 0.000 0.409 484 E N 1.028 121.170 120.200 -0.096 0.000 2.049 484 E HA -0.227 4.113 4.350 -0.018 0.000 0.198 484 E C 1.889 178.535 176.600 0.076 0.000 1.007 484 E CA 1.503 57.914 56.400 0.018 0.000 0.809 484 E CB -0.563 29.138 29.700 0.002 0.000 0.749 484 E HN 0.593 nan 8.360 nan 0.000 0.450 485 K N 0.322 120.732 120.400 0.018 0.000 2.057 485 K HA -0.073 4.236 4.320 -0.018 0.000 0.207 485 K C 2.428 179.039 176.600 0.020 0.000 1.049 485 K CA 0.951 57.249 56.287 0.019 0.000 0.931 485 K CB -0.290 32.211 32.500 0.001 0.000 0.714 485 K HN 0.178 nan 8.250 nan 0.000 0.440 486 I N 0.523 121.099 120.570 0.010 0.000 2.315 486 I HA -0.241 3.918 4.170 -0.018 0.000 0.248 486 I C 2.337 178.485 176.117 0.053 0.000 1.117 486 I CA 0.863 62.176 61.300 0.021 0.000 1.404 486 I CB -0.242 37.767 38.000 0.014 0.000 1.071 486 I HN -0.001 nan 8.210 nan 0.000 0.419 487 F N 2.339 122.257 119.950 -0.053 0.000 2.171 487 F HA -0.230 4.287 4.527 -0.018 0.000 0.300 487 F C 2.046 177.858 175.800 0.020 0.000 1.090 487 F CA 1.751 59.740 58.000 -0.019 0.000 1.293 487 F CB -0.477 38.496 39.000 -0.045 0.000 1.013 487 F HN 0.056 nan 8.300 nan 0.000 0.486 488 N N -0.428 118.212 118.700 -0.100 0.000 2.309 488 N HA -0.146 4.584 4.740 -0.018 0.000 0.182 488 N C 1.798 177.228 175.510 -0.134 0.000 1.018 488 N CA 1.358 54.313 53.050 -0.159 0.000 0.876 488 N CB -0.858 37.621 38.487 -0.013 0.000 0.972 488 N HN 0.309 nan 8.380 nan 0.000 0.434 489 C N 1.426 120.682 119.300 -0.074 0.000 2.413 489 C HA -0.092 4.357 4.460 -0.018 0.000 0.292 489 C C 2.074 177.058 174.990 -0.009 0.000 1.435 489 C CA 0.462 59.462 59.018 -0.031 0.000 1.791 489 C CB -1.359 26.378 27.740 -0.005 0.000 1.784 489 C HN 0.575 nan 8.230 nan 0.000 0.548 490 Q N 0.055 119.817 119.800 -0.063 0.000 2.482 490 Q HA -0.105 4.224 4.340 -0.018 0.000 0.209 490 Q C 1.669 177.702 176.000 0.054 0.000 0.961 490 Q CA 0.530 56.404 55.803 0.118 0.000 0.945 490 Q CB -0.357 28.488 28.738 0.178 0.000 1.012 490 Q HN 0.698 nan 8.270 nan 0.000 0.515 491 Q N 1.144 120.906 119.800 -0.063 0.000 2.360 491 Q HA 0.073 4.403 4.340 -0.018 0.000 0.202 491 Q C -0.401 175.576 176.000 -0.039 0.000 0.915 491 Q CA -0.280 55.481 55.803 -0.070 0.000 0.943 491 Q CB 0.336 29.020 28.738 -0.089 0.000 1.064 491 Q HN 0.381 nan 8.270 nan 0.000 0.511 492 N N 0.303 119.001 118.700 -0.004 0.000 2.530 492 N HA -0.055 4.674 4.740 -0.018 0.000 0.277 492 N C 0.972 176.482 175.510 -0.000 0.000 1.168 492 N CA -0.020 53.033 53.050 0.005 0.000 0.979 492 N CB 0.823 39.326 38.487 0.026 0.000 1.141 492 N HN 0.170 nan 8.380 nan 0.000 0.459 493 E N 1.733 121.928 120.200 -0.008 0.000 2.208 493 E HA -0.213 4.127 4.350 -0.018 0.000 0.193 493 E C -0.012 176.586 176.600 -0.002 0.000 0.988 493 E CA 0.484 56.874 56.400 -0.017 0.000 0.828 493 E CB -0.030 29.661 29.700 -0.015 0.000 0.763 493 E HN 0.428 nan 8.360 nan 0.000 0.478 494 N N 1.493 120.205 118.700 0.019 0.000 2.431 494 N HA -0.052 4.677 4.740 -0.018 0.000 0.265 494 N C -0.278 175.273 175.510 0.067 0.000 1.184 494 N CA 0.082 53.152 53.050 0.034 0.000 0.943 494 N CB 1.028 39.535 38.487 0.034 0.000 1.080 494 N HN 0.087 nan 8.380 nan 0.000 0.477 495 D N 3.097 123.536 120.400 0.065 0.000 2.182 495 D HA -0.143 4.487 4.640 -0.018 0.000 0.201 495 D C 1.459 177.856 176.300 0.161 0.000 0.986 495 D CA 1.159 55.233 54.000 0.123 0.000 0.847 495 D CB 0.331 41.178 40.800 0.078 0.000 0.942 495 D HN 0.564 nan 8.370 nan 0.000 0.467 496 K N 0.215 120.669 120.400 0.091 0.000 2.097 496 K HA -0.062 4.247 4.320 -0.018 0.000 0.205 496 K C 1.980 178.612 176.600 0.053 0.000 1.050 496 K CA 0.427 56.751 56.287 0.063 0.000 0.938 496 K CB 0.083 32.610 32.500 0.044 0.000 0.718 496 K HN 0.106 nan 8.250 nan 0.000 0.442 497 I N 0.570 121.177 120.570 0.063 0.000 2.252 497 I HA -0.278 3.882 4.170 -0.018 0.000 0.245 497 I C 2.381 178.536 176.117 0.062 0.000 1.102 497 I CA 1.215 62.544 61.300 0.048 0.000 1.385 497 I CB -1.300 36.727 38.000 0.045 0.000 1.064 497 I HN 0.186 nan 8.210 nan 0.000 0.414 498 Y N 2.199 122.501 120.300 0.003 0.000 2.165 498 Y HA -0.282 4.257 4.550 -0.018 0.000 0.286 498 Y C 2.637 178.569 175.900 0.052 0.000 1.155 498 Y CA 2.278 60.381 58.100 0.006 0.000 1.164 498 Y CB -0.497 37.949 38.460 -0.023 0.000 0.978 498 Y HN 0.271 nan 8.280 nan 0.000 0.513 499 E N 0.297 120.307 120.200 -0.316 0.000 2.047 499 E HA -0.224 4.115 4.350 -0.018 0.000 0.191 499 E C 2.359 178.866 176.600 -0.155 0.000 0.987 499 E CA 1.464 57.649 56.400 -0.359 0.000 0.799 499 E CB -0.257 29.399 29.700 -0.074 0.000 0.752 499 E HN 0.485 nan 8.360 nan 0.000 0.449 500 K N -0.254 120.108 120.400 -0.062 0.000 2.057 500 K HA -0.118 4.191 4.320 -0.018 0.000 0.207 500 K C 2.037 178.642 176.600 0.009 0.000 1.049 500 K CA 1.049 57.334 56.287 -0.004 0.000 0.931 500 K CB -0.141 32.365 32.500 0.009 0.000 0.714 500 K HN 0.194 nan 8.250 nan 0.000 0.440 501 A N 0.286 123.097 122.820 -0.016 0.000 1.898 501 A HA -0.194 4.115 4.320 -0.018 0.000 0.216 501 A C 2.013 179.609 177.584 0.020 0.000 1.181 501 A CA 1.311 53.356 52.037 0.013 0.000 0.620 501 A CB -0.814 18.188 19.000 0.003 0.000 0.819 501 A HN 0.556 nan 8.150 nan 0.000 0.442 502 Y N 0.695 120.862 120.300 -0.221 0.000 2.128 502 Y HA -0.234 4.305 4.550 -0.019 0.000 0.284 502 Y C 2.345 178.201 175.900 -0.074 0.000 1.154 502 Y CA 2.449 60.429 58.100 -0.201 0.000 1.149 502 Y CB -0.211 37.969 38.460 -0.467 0.000 0.976 502 Y HN 0.288 nan 8.280 nan 0.000 0.505 503 K N 0.333 120.744 120.400 0.018 0.000 2.097 503 K HA -0.178 4.131 4.320 -0.018 0.000 0.206 503 K C 1.993 178.574 176.600 -0.031 0.000 1.049 503 K CA 1.922 58.194 56.287 -0.025 0.000 0.933 503 K CB -0.358 32.173 32.500 0.053 0.000 0.717 503 K HN 0.500 nan 8.250 nan 0.000 0.442 504 I N 1.079 121.699 120.570 0.083 0.000 2.315 504 I HA -0.243 3.916 4.170 -0.018 0.000 0.248 504 I C 1.997 178.301 176.117 0.312 0.000 1.117 504 I CA 0.549 62.005 61.300 0.259 0.000 1.404 504 I CB -0.044 38.112 38.000 0.260 0.000 1.071 504 I HN 0.187 nan 8.210 nan 0.000 0.419 505 I N 0.488 121.163 120.570 0.175 0.000 2.439 505 I HA -0.213 3.946 4.170 -0.018 0.000 0.251 505 I C 2.443 178.596 176.117 0.060 0.000 1.139 505 I CA 1.398 62.830 61.300 0.221 0.000 1.438 505 I CB -0.955 37.120 38.000 0.125 0.000 1.085 505 I HN 0.368 nan 8.210 nan 0.000 0.427 506 E N 0.877 120.980 120.200 -0.163 0.000 2.033 506 E HA -0.143 4.196 4.350 -0.018 0.000 0.189 506 E C 2.073 178.539 176.600 -0.222 0.000 0.979 506 E CA 1.670 57.925 56.400 -0.241 0.000 0.802 506 E CB 0.142 29.590 29.700 -0.420 0.000 0.763 506 E HN 0.295 nan 8.360 nan 0.000 0.449 507 T N -0.329 114.038 114.554 -0.313 0.000 2.674 507 T HA -0.156 4.184 4.350 -0.018 0.000 0.265 507 T C 1.073 175.346 174.700 -0.711 0.000 1.039 507 T CA 1.686 63.430 62.100 -0.593 0.000 1.150 507 T CB -0.335 67.999 68.868 -0.889 0.000 0.864 507 T HN 0.323 nan 8.240 nan 0.000 0.427 508 Y N -1.081 119.075 120.300 -0.241 0.000 2.467 508 Y HA 0.428 4.967 4.550 -0.019 0.000 0.250 508 Y C 0.419 175.790 175.900 -0.882 0.000 1.155 508 Y CA -0.649 57.127 58.100 -0.541 0.000 1.249 508 Y CB 0.321 38.391 38.460 -0.650 0.000 1.146 508 Y HN 0.127 nan 8.280 nan 0.000 0.524 509 F N -0.202 119.769 119.950 0.034 0.000 2.749 509 F HA 0.513 5.028 4.527 -0.019 0.000 0.380 509 F C 0.921 176.696 175.800 -0.043 0.000 1.365 509 F CA -0.965 57.036 58.000 0.002 0.000 1.186 509 F CB 0.261 39.269 39.000 0.013 0.000 1.080 509 F HN -0.088 nan 8.300 nan 0.000 0.513 510 G N 0.000 108.807 108.800 0.012 0.000 5.446 510 G HA2 0.000 3.949 3.960 -0.018 0.000 0.244 510 G HA3 0.000 3.949 3.960 -0.018 0.000 0.244 510 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925