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 3f9p_1_C DATA FIRST_RESID 113 DATA SEQUENCE VNcETScVQQ PPcFPLKIPP NDPRIKNQAD cIPFFRSXPA CPGSNITIRN DATA SEQUENCE QINALTSFVD ASMVYGSEEP LARNLRNMSN QLGLLAVNQR FQDNGRALLP DATA SEQUENCE FDNLHDDPcL LTNRSARIPc FLAGDTRSSE MPELTSMHTL LLREHNRLAT DATA SEQUENCE ELKSLNPRWD GERLYQEARK IVGAMVQIIT YRDYLPLVLG PTAMRKYLPT DATA SEQUENCE YRSYNDSVDP RIANVFTNAF RYGHTLIQPF MFRLDNRYQP MEPNPRVPLS DATA SEQUENCE RVFFASWRVV LEGGIDPILR GLMATPAKLN RQNQIAVDEI RERLFEQVMR DATA SEQUENCE IGLDLPALNM QRSRDHGLPG YNAWRRFcGL PQPETVGQLG TVLRNLKLAR DATA SEQUENCE KLMEQYGTPN NIDIWMGGVS EPLKRKGRVG PLLAcIIGTQ FRKLRDGDRF DATA SEQUENCE WWENEGVFSM QQRQALAQIS LPRIIcDNTG ITTVSKNNIF MSNSYPRDFV DATA SEQUENCE NcSTLPALNL ASWREAS 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 113 V HA 0.000 nan 4.120 nan 0.000 0.244 113 V C 0.000 176.110 176.094 0.027 0.000 1.182 113 V CA 0.000 62.329 62.300 0.049 0.000 1.235 113 V CB 0.000 31.846 31.823 0.039 0.000 1.184 114 N N -0.241 118.471 118.700 0.020 0.000 2.314 114 N HA 0.332 5.074 4.740 0.003 0.000 0.304 114 N C 0.541 176.017 175.510 -0.057 0.000 1.073 114 N CA 0.156 53.226 53.050 0.032 0.000 0.822 114 N CB 1.907 40.431 38.487 0.063 0.000 1.280 114 N HN 0.364 nan 8.380 nan 0.000 0.489 115 c N 0.959 119.442 118.600 -0.195 0.000 2.456 115 c HA 0.057 4.629 4.570 0.003 0.000 0.279 115 c C 2.129 175.994 174.090 -0.376 0.000 1.427 115 c CA 0.119 56.187 56.329 -0.434 0.000 1.778 115 c CB -0.861 41.052 42.510 -0.994 0.000 1.842 115 c HN 0.767 nan 8.230 nan 0.000 0.531 116 E N 0.835 120.915 120.200 -0.201 0.000 2.216 116 E HA -0.109 4.243 4.350 0.003 0.000 0.192 116 E C 1.869 178.455 176.600 -0.024 0.000 0.988 116 E CA 1.553 57.930 56.400 -0.038 0.000 0.834 116 E CB 0.228 30.009 29.700 0.136 0.000 0.772 116 E HN 0.826 nan 8.360 nan 0.000 0.479 117 T N -3.355 111.182 114.554 -0.028 0.000 3.004 117 T HA 0.281 4.633 4.350 0.003 0.000 0.266 117 T C 0.474 175.159 174.700 -0.026 0.000 0.986 117 T CA -0.533 61.557 62.100 -0.017 0.000 0.902 117 T CB 0.878 69.744 68.868 -0.003 0.000 1.118 117 T HN -0.177 nan 8.240 nan 0.000 0.522 118 S N -0.474 115.202 115.700 -0.041 0.000 2.607 118 S HA 0.531 5.003 4.470 0.003 0.000 0.303 118 S C 0.192 174.765 174.600 -0.044 0.000 1.086 118 S CA -0.738 57.441 58.200 -0.035 0.000 0.995 118 S CB 1.720 64.904 63.200 -0.027 0.000 1.084 118 S HN 0.345 nan 8.310 nan 0.000 0.507 119 c N 1.526 120.106 118.600 -0.032 0.000 3.183 119 c HA 0.315 4.887 4.570 0.003 0.000 0.285 119 c C 0.535 174.614 174.090 -0.020 0.000 1.313 119 c CA -0.296 56.014 56.329 -0.032 0.000 1.711 119 c CB -0.690 41.802 42.510 -0.030 0.000 2.135 119 c HN 0.635 nan 8.230 nan 0.000 0.651 120 V N 2.107 122.014 119.914 -0.012 0.000 2.572 120 V HA 0.052 4.174 4.120 0.003 0.000 0.291 120 V C 0.456 176.559 176.094 0.016 0.000 1.039 120 V CA 0.468 62.769 62.300 0.002 0.000 1.055 120 V CB 0.735 32.560 31.823 0.003 0.000 0.969 120 V HN 0.456 nan 8.190 nan 0.000 0.482 121 Q N 4.729 124.550 119.800 0.035 0.000 2.681 121 Q HA 0.272 4.614 4.340 0.003 0.000 0.222 121 Q C -0.521 175.519 176.000 0.066 0.000 1.258 121 Q CA -0.044 55.802 55.803 0.072 0.000 1.014 121 Q CB 0.260 29.061 28.738 0.105 0.000 1.384 121 Q HN 0.741 nan 8.270 nan 0.000 0.570 122 Q N 2.856 122.690 119.800 0.056 0.000 2.372 122 Q HA 0.452 4.794 4.340 0.003 0.000 0.273 122 Q C -2.514 173.518 176.000 0.054 0.000 1.078 122 Q CA -2.324 53.507 55.803 0.046 0.000 0.806 122 Q CB 2.317 31.073 28.738 0.031 0.000 1.332 122 Q HN 0.439 nan 8.270 nan 0.000 0.435 123 P HA -0.043 nan 4.420 nan 0.000 0.263 123 P C -2.138 175.200 177.300 0.062 0.000 1.175 123 P CA -0.437 62.696 63.100 0.055 0.000 0.761 123 P CB 0.098 31.820 31.700 0.037 0.000 0.794 124 P HA 0.168 nan 4.420 nan 0.000 0.254 124 P C -0.890 176.490 177.300 0.134 0.000 1.620 124 P CA -0.062 63.104 63.100 0.111 0.000 1.050 124 P CB -0.113 31.668 31.700 0.135 0.000 1.539 125 c N 0.612 119.271 118.600 0.098 0.000 2.369 125 c HA 0.485 5.057 4.570 0.003 0.000 0.358 125 c C 0.190 174.434 174.090 0.256 0.000 1.274 125 c CA -0.408 55.972 56.329 0.084 0.000 1.935 125 c CB -0.862 41.637 42.510 -0.018 0.000 2.431 125 c HN 0.311 nan 8.230 nan 0.000 0.545 126 F N 5.890 125.933 119.950 0.155 0.000 2.584 126 F HA 0.390 4.919 4.527 0.003 0.000 0.328 126 F C -2.376 173.482 175.800 0.095 0.000 1.407 126 F CA -3.049 55.041 58.000 0.149 0.000 1.145 126 F CB 0.568 39.699 39.000 0.218 0.000 1.440 126 F HN 0.407 nan 8.300 nan 0.000 0.580 127 P HA 0.187 nan 4.420 nan 0.000 0.275 127 P C -0.683 176.410 177.300 -0.345 0.000 1.228 127 P CA -0.278 62.728 63.100 -0.157 0.000 0.786 127 P CB 1.645 33.293 31.700 -0.086 0.000 0.927 128 L N 3.059 124.098 121.223 -0.308 0.000 2.361 128 L HA 0.201 4.543 4.340 0.003 0.000 0.278 128 L C 1.222 177.973 176.870 -0.199 0.000 1.113 128 L CA 0.426 55.075 54.840 -0.320 0.000 0.849 128 L CB -0.359 41.539 42.059 -0.267 0.000 1.155 128 L HN 0.220 nan 8.230 nan 0.000 0.452 129 K N 3.651 123.939 120.400 -0.186 0.000 2.202 129 K HA 0.433 4.755 4.320 0.003 0.000 0.264 129 K C -0.545 175.997 176.600 -0.097 0.000 1.010 129 K CA -0.685 55.532 56.287 -0.117 0.000 0.940 129 K CB 1.023 33.466 32.500 -0.095 0.000 0.983 129 K HN 0.301 nan 8.250 nan 0.000 0.475 130 I N 4.116 124.644 120.570 -0.071 0.000 2.321 130 I HA 0.215 4.387 4.170 0.003 0.000 0.291 130 I C -1.814 174.273 176.117 -0.051 0.000 0.998 130 I CA -2.971 58.293 61.300 -0.060 0.000 1.227 130 I CB 0.474 38.445 38.000 -0.048 0.000 1.368 130 I HN 0.465 nan 8.210 nan 0.000 0.466 131 P HA 0.349 nan 4.420 nan 0.000 0.274 131 P C -2.740 174.539 177.300 -0.035 0.000 1.246 131 P CA -1.525 61.549 63.100 -0.045 0.000 0.795 131 P CB -0.282 31.389 31.700 -0.049 0.000 1.006 132 P HA 0.099 nan 4.420 nan 0.000 0.269 132 P C -0.439 176.847 177.300 -0.023 0.000 1.209 132 P CA 0.194 63.280 63.100 -0.024 0.000 0.776 132 P CB -0.319 31.369 31.700 -0.021 0.000 0.876 133 N N -0.956 117.732 118.700 -0.019 0.000 2.738 133 N HA -0.198 4.544 4.740 0.003 0.000 0.249 133 N C -0.363 175.135 175.510 -0.019 0.000 1.047 133 N CA 0.520 53.560 53.050 -0.017 0.000 0.707 133 N CB -1.320 37.158 38.487 -0.015 0.000 0.937 133 N HN 0.561 nan 8.380 nan 0.000 0.545 134 D N 0.502 120.889 120.400 -0.021 0.000 2.351 134 D HA 0.060 4.702 4.640 0.003 0.000 0.251 134 D C -0.874 175.415 176.300 -0.018 0.000 1.137 134 D CA -1.721 52.266 54.000 -0.023 0.000 0.879 134 D CB 1.071 41.854 40.800 -0.028 0.000 1.181 134 D HN 0.100 nan 8.370 nan 0.000 0.448 135 P HA -0.119 nan 4.420 nan 0.000 0.219 135 P C 1.112 178.405 177.300 -0.012 0.000 1.146 135 P CA 0.981 64.073 63.100 -0.013 0.000 0.808 135 P CB 0.606 32.299 31.700 -0.011 0.000 0.779 136 R N -0.646 119.845 120.500 -0.015 0.000 2.125 136 R HA 0.232 4.574 4.340 0.003 0.000 0.195 136 R C 0.914 177.205 176.300 -0.015 0.000 1.138 136 R CA 0.047 56.139 56.100 -0.014 0.000 1.123 136 R CB 0.085 30.375 30.300 -0.016 0.000 1.049 136 R HN -0.008 nan 8.270 nan 0.000 0.503 137 I N 3.402 123.961 120.570 -0.019 0.000 2.278 137 I HA 0.073 4.245 4.170 0.003 0.000 0.296 137 I C 0.684 176.789 176.117 -0.020 0.000 1.121 137 I CA -0.234 61.054 61.300 -0.020 0.000 1.267 137 I CB 1.398 39.382 38.000 -0.026 0.000 1.447 137 I HN 0.119 nan 8.210 nan 0.000 0.509 138 K N 3.441 123.832 120.400 -0.015 0.000 2.217 138 K HA -0.044 4.278 4.320 0.003 0.000 0.202 138 K C 0.661 177.252 176.600 -0.015 0.000 1.051 138 K CA 0.541 56.819 56.287 -0.014 0.000 0.952 138 K CB -0.249 32.245 32.500 -0.011 0.000 0.736 138 K HN 0.563 nan 8.250 nan 0.000 0.453 139 N N 1.866 120.556 118.700 -0.016 0.000 2.420 139 N HA -0.041 4.701 4.740 0.003 0.000 0.262 139 N C 0.746 176.244 175.510 -0.020 0.000 1.144 139 N CA -0.034 53.006 53.050 -0.016 0.000 0.952 139 N CB 0.631 39.109 38.487 -0.015 0.000 1.081 139 N HN 0.096 nan 8.380 nan 0.000 0.480 140 Q N 3.085 122.873 119.800 -0.020 0.000 2.389 140 Q HA 0.015 4.357 4.340 0.003 0.000 0.204 140 Q C 1.563 177.549 176.000 -0.024 0.000 0.944 140 Q CA 0.667 56.456 55.803 -0.024 0.000 0.908 140 Q CB 0.195 28.921 28.738 -0.021 0.000 1.002 140 Q HN 0.813 nan 8.270 nan 0.000 0.493 141 A N 0.293 123.101 122.820 -0.020 0.000 2.119 141 A HA -0.062 4.260 4.320 0.003 0.000 0.216 141 A C 0.811 178.381 177.584 -0.023 0.000 1.152 141 A CA 0.418 52.443 52.037 -0.020 0.000 0.708 141 A CB -0.035 18.956 19.000 -0.015 0.000 0.805 141 A HN 0.305 nan 8.150 nan 0.000 0.460 142 D N -0.684 119.700 120.400 -0.025 0.000 2.398 142 D HA 0.431 5.073 4.640 0.003 0.000 0.247 142 D C -0.011 176.266 176.300 -0.038 0.000 1.227 142 D CA 0.582 54.566 54.000 -0.028 0.000 0.980 142 D CB 1.271 42.056 40.800 -0.024 0.000 1.106 142 D HN 0.530 nan 8.370 nan 0.000 0.493 143 c N -0.561 118.014 118.600 -0.042 0.000 3.321 143 c HA 0.644 5.216 4.570 0.003 0.000 0.329 143 c C -0.597 173.461 174.090 -0.054 0.000 1.394 143 c CA -1.047 55.248 56.329 -0.058 0.000 1.291 143 c CB -0.112 42.359 42.510 -0.066 0.000 1.606 143 c HN 0.494 nan 8.230 nan 0.000 0.463 144 I N 2.452 122.981 120.570 -0.067 0.000 2.315 144 I HA 0.381 4.553 4.170 0.003 0.000 0.291 144 I C -2.144 173.955 176.117 -0.030 0.000 1.006 144 I CA -1.742 59.529 61.300 -0.047 0.000 1.265 144 I CB 1.476 39.441 38.000 -0.058 0.000 1.387 144 I HN 0.465 nan 8.210 nan 0.000 0.475 145 P HA 0.044 nan 4.420 nan 0.000 0.265 145 P C -1.015 176.321 177.300 0.060 0.000 1.193 145 P CA 0.307 63.385 63.100 -0.037 0.000 0.765 145 P CB 0.228 31.909 31.700 -0.031 0.000 0.823 146 F N 3.862 123.681 119.950 -0.219 0.000 2.722 146 F HA 0.423 4.952 4.527 0.004 0.000 0.336 146 F C -1.597 174.107 175.800 -0.160 0.000 1.216 146 F CA -0.782 57.155 58.000 -0.106 0.000 1.065 146 F CB 0.769 39.724 39.000 -0.076 0.000 1.325 146 F HN 0.073 nan 8.300 nan 0.000 0.524 147 F N 5.138 124.857 119.950 -0.385 0.000 2.404 147 F HA 0.525 5.054 4.527 0.004 0.000 0.345 147 F C 0.834 176.379 175.800 -0.424 0.000 1.110 147 F CA -0.541 57.305 58.000 -0.257 0.000 1.130 147 F CB 0.950 39.836 39.000 -0.191 0.000 1.129 147 F HN 0.242 nan 8.300 nan 0.000 0.500 148 R N 2.080 122.648 120.500 0.112 0.000 2.489 148 R HA 0.192 4.534 4.340 0.003 0.000 0.287 148 R C 0.348 176.696 176.300 0.079 0.000 1.053 148 R CA -0.241 55.961 56.100 0.168 0.000 1.036 148 R CB 0.673 31.097 30.300 0.207 0.000 0.966 148 R HN 0.682 nan 8.270 nan 0.000 0.432 152 A N -0.092 122.718 122.820 -0.017 0.000 2.067 152 A HA 0.194 4.516 4.320 0.003 0.000 0.217 152 A C 0.825 178.407 177.584 -0.002 0.000 1.156 152 A CA 1.284 53.318 52.037 -0.006 0.000 0.683 152 A CB -0.287 18.711 19.000 -0.003 0.000 0.808 152 A HN 0.638 nan 8.150 nan 0.000 0.455 153 C N 1.704 121.002 119.300 -0.004 0.000 2.647 153 C HA 0.547 5.009 4.460 0.003 0.000 0.273 153 C C -2.876 172.113 174.990 -0.002 0.000 1.088 153 C CA -2.463 56.554 59.018 -0.001 0.000 1.529 153 C CB -0.326 27.414 27.740 0.000 0.000 1.810 153 C HN 0.276 nan 8.230 nan 0.000 0.422 154 P HA 0.276 nan 4.420 nan 0.000 0.267 154 P C 0.742 178.043 177.300 0.001 0.000 1.209 154 P CA 1.340 64.440 63.100 0.000 0.000 0.763 154 P CB 0.421 32.122 31.700 0.002 0.000 0.816 155 G N 2.062 110.863 108.800 0.001 0.000 2.323 155 G HA2 -0.229 3.733 3.960 0.003 0.000 0.292 155 G HA3 -0.229 3.733 3.960 0.003 0.000 0.292 155 G C 0.252 175.152 174.900 0.000 0.000 1.040 155 G CA 0.231 45.332 45.100 0.001 0.000 0.942 155 G HN 0.705 nan 8.290 nan 0.000 0.506 156 S N -0.731 114.968 115.700 -0.001 0.000 2.489 156 S HA 0.549 5.021 4.470 0.003 0.000 0.291 156 S C 1.382 175.981 174.600 -0.001 0.000 1.151 156 S CA -0.509 57.691 58.200 -0.000 0.000 1.082 156 S CB 0.644 63.844 63.200 0.000 0.000 1.019 156 S HN 0.314 nan 8.310 nan 0.000 0.492 157 N N 3.846 122.545 118.700 -0.000 0.000 2.416 157 N HA 0.115 4.857 4.740 0.003 0.000 0.177 157 N C 1.265 176.775 175.510 -0.001 0.000 1.036 157 N CA 0.725 53.775 53.050 -0.001 0.000 0.901 157 N CB -0.073 38.414 38.487 -0.000 0.000 0.976 157 N HN 0.586 nan 8.380 nan 0.000 0.444 158 I N 0.471 121.041 120.570 0.000 0.000 2.364 158 I HA -0.059 4.113 4.170 0.003 0.000 0.241 158 I C 0.554 176.672 176.117 0.001 0.000 1.082 158 I CA 0.561 61.861 61.300 0.001 0.000 1.401 158 I CB -0.525 37.476 38.000 0.002 0.000 1.126 158 I HN -0.017 nan 8.210 nan 0.000 0.429 159 T N 1.447 116.002 114.554 0.001 0.000 2.907 159 T HA 0.445 4.797 4.350 0.003 0.000 0.298 159 T C -0.033 174.667 174.700 0.000 0.000 1.017 159 T CA -0.486 61.614 62.100 0.002 0.000 1.118 159 T CB 0.886 69.755 68.868 0.002 0.000 0.948 159 T HN -0.015 nan 8.240 nan 0.000 0.531 160 I N 2.315 122.885 120.570 0.001 0.000 2.618 160 I HA 0.127 4.299 4.170 0.003 0.000 0.284 160 I C 1.353 177.470 176.117 -0.001 0.000 1.146 160 I CA -0.434 60.866 61.300 0.001 0.000 1.425 160 I CB 0.386 38.389 38.000 0.004 0.000 1.383 160 I HN 0.577 nan 8.210 nan 0.000 0.562 161 R N 4.888 125.385 120.500 -0.005 0.000 2.538 161 R HA 0.027 4.370 4.340 0.003 0.000 0.282 161 R C -0.588 175.703 176.300 -0.016 0.000 1.009 161 R CA 0.305 56.398 56.100 -0.013 0.000 1.063 161 R CB 0.263 30.552 30.300 -0.018 0.000 0.945 161 R HN 0.654 nan 8.270 nan 0.000 0.414 162 N N 1.899 120.583 118.700 -0.027 0.000 2.329 162 N HA 0.200 4.942 4.740 0.003 0.000 0.282 162 N C -1.725 173.742 175.510 -0.071 0.000 1.198 162 N CA -0.611 52.418 53.050 -0.036 0.000 0.790 162 N CB 1.829 40.312 38.487 -0.006 0.000 1.579 162 N HN 0.428 nan 8.380 nan 0.000 0.475 163 Q N 0.397 120.130 119.800 -0.112 0.000 2.180 163 Q HA 0.628 4.970 4.340 0.003 0.000 0.241 163 Q C -0.459 175.517 176.000 -0.040 0.000 0.970 163 Q CA -0.379 55.339 55.803 -0.141 0.000 0.919 163 Q CB 1.477 29.991 28.738 -0.373 0.000 1.222 163 Q HN 0.550 nan 8.270 nan 0.000 0.482 164 I N 0.773 121.333 120.570 -0.016 0.000 2.460 164 I HA 0.351 4.523 4.170 0.003 0.000 0.298 164 I C -0.347 175.795 176.117 0.042 0.000 0.989 164 I CA -1.002 60.307 61.300 0.015 0.000 1.173 164 I CB 1.466 39.473 38.000 0.011 0.000 1.338 164 I HN 0.406 nan 8.210 nan 0.000 0.456 165 N N 3.687 122.414 118.700 0.045 0.000 2.426 165 N HA 0.374 5.116 4.740 0.003 0.000 0.257 165 N C 0.299 175.839 175.510 0.050 0.000 1.002 165 N CA -0.246 52.837 53.050 0.055 0.000 0.942 165 N CB 1.914 40.428 38.487 0.045 0.000 1.112 165 N HN 0.768 nan 8.380 nan 0.000 0.499 166 A N 4.154 127.007 122.820 0.056 0.000 2.208 166 A HA 0.228 4.550 4.320 0.003 0.000 0.209 166 A C 0.585 178.208 177.584 0.064 0.000 1.161 166 A CA 0.520 52.589 52.037 0.054 0.000 0.782 166 A CB -0.028 19.002 19.000 0.049 0.000 0.816 166 A HN 0.611 nan 8.150 nan 0.000 0.477 167 L N -0.929 120.336 121.223 0.071 0.000 2.286 167 L HA 0.396 4.738 4.340 0.003 0.000 0.265 167 L C 0.433 177.355 176.870 0.086 0.000 1.012 167 L CA -0.926 53.964 54.840 0.085 0.000 0.818 167 L CB 1.789 43.904 42.059 0.093 0.000 1.337 167 L HN 0.155 nan 8.230 nan 0.000 0.438 168 T N -2.606 112.019 114.554 0.118 0.000 2.834 168 T HA 0.052 4.404 4.350 0.003 0.000 0.298 168 T C 1.148 175.904 174.700 0.093 0.000 0.966 168 T CA -0.117 62.077 62.100 0.157 0.000 1.141 168 T CB 1.041 70.062 68.868 0.256 0.000 0.905 168 T HN 0.764 nan 8.240 nan 0.000 0.535 169 S N 3.038 118.704 115.700 -0.057 0.000 2.399 169 S HA -0.035 4.437 4.470 0.003 0.000 0.231 169 S C 0.513 175.003 174.600 -0.183 0.000 1.022 169 S CA -0.058 58.017 58.200 -0.208 0.000 0.983 169 S CB -0.946 62.018 63.200 -0.394 0.000 0.803 169 S HN 0.654 nan 8.310 nan 0.000 0.480 170 F N 2.066 122.062 119.950 0.076 0.000 2.553 170 F HA 0.256 4.785 4.527 0.004 0.000 0.356 170 F C 0.650 176.544 175.800 0.158 0.000 1.142 170 F CA -0.787 57.291 58.000 0.130 0.000 1.322 170 F CB 0.309 39.401 39.000 0.154 0.000 1.126 170 F HN -0.157 nan 8.300 nan 0.000 0.599 171 V N 2.772 122.944 119.914 0.429 0.000 2.242 171 V HA 0.061 4.183 4.120 0.003 0.000 0.242 171 V C -0.094 176.190 176.094 0.317 0.000 1.240 171 V CA -0.025 62.500 62.300 0.375 0.000 1.211 171 V CB -0.860 31.266 31.823 0.505 0.000 1.338 171 V HN 0.782 nan 8.190 nan 0.000 0.499 172 D N 2.704 123.261 120.400 0.262 0.000 2.599 172 D HA 0.308 4.950 4.640 0.003 0.000 0.249 172 D C 0.881 177.298 176.300 0.196 0.000 1.313 172 D CA 0.048 54.165 54.000 0.195 0.000 0.815 172 D CB 0.379 41.276 40.800 0.162 0.000 1.077 172 D HN 0.619 nan 8.370 nan 0.000 0.492 173 A N 0.847 123.784 122.820 0.194 0.000 2.822 173 A HA -0.231 4.091 4.320 0.003 0.000 0.287 173 A C 1.696 179.410 177.584 0.215 0.000 1.479 173 A CA 1.097 53.242 52.037 0.182 0.000 0.779 173 A CB -2.566 16.569 19.000 0.225 0.000 1.022 173 A HN 0.762 nan 8.150 nan 0.000 0.532 174 S N -0.459 115.357 115.700 0.193 0.000 2.515 174 S HA -0.099 4.373 4.470 0.003 0.000 0.231 174 S C 1.777 176.461 174.600 0.141 0.000 0.987 174 S CA 1.188 59.501 58.200 0.187 0.000 0.936 174 S CB -0.442 62.860 63.200 0.171 0.000 0.766 174 S HN 1.481 nan 8.310 nan 0.000 0.528 175 M N 0.813 120.480 119.600 0.111 0.000 2.557 175 M HA 0.160 4.642 4.480 0.003 0.000 0.259 175 M C 1.326 177.696 176.300 0.118 0.000 1.086 175 M CA 0.882 56.264 55.300 0.136 0.000 1.096 175 M CB -1.186 31.480 32.600 0.110 0.000 1.424 175 M HN 0.228 nan 8.290 nan 0.000 0.488 176 V N -0.532 119.356 119.914 -0.043 0.000 2.690 176 V HA -0.058 4.064 4.120 0.003 0.000 0.240 176 V C 1.716 177.631 176.094 -0.298 0.000 1.078 176 V CA 0.861 63.013 62.300 -0.247 0.000 1.102 176 V CB -0.746 30.729 31.823 -0.579 0.000 0.800 176 V HN 0.265 nan 8.190 nan 0.000 0.479 177 Y N 1.069 121.398 120.300 0.049 0.000 2.476 177 Y HA 0.559 5.111 4.550 0.003 0.000 0.283 177 Y C 1.366 177.311 175.900 0.075 0.000 1.109 177 Y CA 0.486 58.622 58.100 0.061 0.000 1.246 177 Y CB 0.099 38.591 38.460 0.055 0.000 1.068 177 Y HN 0.354 nan 8.280 nan 0.000 0.552 178 G N -0.644 108.274 108.800 0.198 0.000 2.570 178 G HA2 -0.087 3.875 3.960 0.003 0.000 0.686 178 G HA3 -0.087 3.875 3.960 0.003 0.000 0.686 178 G C 0.149 175.133 174.900 0.139 0.000 1.257 178 G CA -0.247 44.938 45.100 0.143 0.000 0.846 178 G HN -0.035 nan 8.290 nan 0.000 0.627 179 S N -0.012 115.754 115.700 0.110 0.000 2.559 179 S HA 0.303 4.775 4.470 0.003 0.000 0.226 179 S C 0.473 175.122 174.600 0.082 0.000 1.000 179 S CA 0.536 58.797 58.200 0.102 0.000 0.948 179 S CB 0.449 63.710 63.200 0.101 0.000 0.870 179 S HN 0.579 nan 8.310 nan 0.000 0.497 180 E N 0.644 120.888 120.200 0.072 0.000 2.266 180 E HA 0.298 4.650 4.350 0.003 0.000 0.268 180 E C -0.095 176.535 176.600 0.050 0.000 0.879 180 E CA -0.414 56.020 56.400 0.056 0.000 0.762 180 E CB 1.662 31.390 29.700 0.047 0.000 1.199 180 E HN 0.073 nan 8.360 nan 0.000 0.422 181 E N 1.580 121.803 120.200 0.038 0.000 2.106 181 E HA -0.125 4.227 4.350 0.003 0.000 0.192 181 E C -0.974 175.637 176.600 0.019 0.000 0.984 181 E CA 1.074 57.490 56.400 0.027 0.000 0.806 181 E CB -0.514 29.198 29.700 0.018 0.000 0.750 181 E HN 0.323 nan 8.360 nan 0.000 0.458 182 P HA -0.155 nan 4.420 nan 0.000 0.216 182 P C 1.497 178.807 177.300 0.017 0.000 1.153 182 P CA 0.798 63.906 63.100 0.014 0.000 0.848 182 P CB 0.038 31.748 31.700 0.016 0.000 0.787 183 L N -0.267 120.973 121.223 0.028 0.000 2.056 183 L HA -0.010 4.332 4.340 0.003 0.000 0.207 183 L C 2.233 179.126 176.870 0.039 0.000 1.078 183 L CA 1.925 56.785 54.840 0.035 0.000 0.749 183 L CB -1.475 40.611 42.059 0.045 0.000 0.901 183 L HN -0.126 nan 8.230 nan 0.000 0.433 184 A N -0.607 122.243 122.820 0.049 0.000 1.972 184 A HA -0.224 4.098 4.320 0.003 0.000 0.219 184 A C 2.496 180.080 177.584 0.000 0.000 1.169 184 A CA 1.714 53.790 52.037 0.065 0.000 0.635 184 A CB -0.585 18.471 19.000 0.093 0.000 0.810 184 A HN 0.485 nan 8.150 nan 0.000 0.446 185 R N -0.391 120.096 120.500 -0.021 0.000 2.119 185 R HA -0.031 4.311 4.340 0.003 0.000 0.222 185 R C 1.369 177.640 176.300 -0.048 0.000 1.088 185 R CA 1.225 57.289 56.100 -0.060 0.000 0.984 185 R CB -0.103 30.172 30.300 -0.042 0.000 0.884 185 R HN 0.476 nan 8.270 nan 0.000 0.447 186 N N 0.144 118.834 118.700 -0.017 0.000 2.409 186 N HA -0.056 4.686 4.740 0.003 0.000 0.179 186 N C 1.298 176.806 175.510 -0.003 0.000 1.032 186 N CA 0.758 53.803 53.050 -0.008 0.000 0.898 186 N CB 0.158 38.649 38.487 0.006 0.000 0.971 186 N HN 0.254 nan 8.380 nan 0.000 0.441 187 L N 0.177 121.401 121.223 0.001 0.000 2.492 187 L HA 0.071 4.413 4.340 0.003 0.000 0.223 187 L C 0.689 177.559 176.870 -0.001 0.000 1.132 187 L CA 0.342 55.190 54.840 0.012 0.000 0.850 187 L CB 0.110 42.191 42.059 0.038 0.000 0.966 187 L HN -0.056 nan 8.230 nan 0.000 0.454 188 R N 0.345 120.817 120.500 -0.046 0.000 2.500 188 R HA 0.130 4.472 4.340 0.003 0.000 0.275 188 R C 0.138 176.418 176.300 -0.034 0.000 1.051 188 R CA -0.644 55.408 56.100 -0.079 0.000 1.088 188 R CB 0.460 30.611 30.300 -0.250 0.000 1.063 188 R HN -0.097 nan 8.270 nan 0.000 0.511 189 N N 2.668 121.368 118.700 0.001 0.000 2.402 189 N HA -0.000 4.742 4.740 0.003 0.000 0.259 189 N C 0.131 175.638 175.510 -0.004 0.000 1.167 189 N CA 0.147 53.205 53.050 0.013 0.000 0.949 189 N CB 0.750 39.263 38.487 0.044 0.000 1.212 189 N HN 0.485 nan 8.380 nan 0.000 0.493 190 M N 1.428 121.019 119.600 -0.014 0.000 2.495 190 M HA 0.068 4.550 4.480 0.003 0.000 0.237 190 M C 1.259 177.556 176.300 -0.006 0.000 1.131 190 M CA 0.201 55.489 55.300 -0.020 0.000 1.032 190 M CB -0.418 32.166 32.600 -0.027 0.000 1.513 190 M HN 0.325 nan 8.290 nan 0.000 0.488 191 S N 1.740 117.442 115.700 0.003 0.000 2.414 191 S HA -0.015 4.457 4.470 0.003 0.000 0.227 191 S C 0.720 175.327 174.600 0.012 0.000 1.022 191 S CA 0.755 58.960 58.200 0.007 0.000 0.958 191 S CB -0.068 63.138 63.200 0.010 0.000 0.797 191 S HN 0.680 nan 8.310 nan 0.000 0.493 192 N N -0.292 118.419 118.700 0.018 0.000 3.038 192 N HA 0.304 5.046 4.740 0.003 0.000 0.307 192 N C -0.887 174.642 175.510 0.031 0.000 1.441 192 N CA -0.843 52.221 53.050 0.024 0.000 0.772 192 N CB 0.375 38.879 38.487 0.028 0.000 1.651 192 N HN -0.290 nan 8.380 nan 0.000 0.593 193 Q N -0.033 119.790 119.800 0.039 0.000 2.286 193 Q HA 0.328 4.670 4.340 0.003 0.000 0.281 193 Q C 0.221 176.264 176.000 0.071 0.000 0.897 193 Q CA 0.048 55.882 55.803 0.051 0.000 1.023 193 Q CB -0.172 28.596 28.738 0.050 0.000 1.151 193 Q HN 0.645 nan 8.270 nan 0.000 0.445 194 L N -1.297 119.969 121.223 0.073 0.000 2.513 194 L HA 0.198 4.540 4.340 0.003 0.000 0.222 194 L C 1.095 178.037 176.870 0.120 0.000 1.096 194 L CA 0.391 55.282 54.840 0.085 0.000 0.857 194 L CB 0.196 42.294 42.059 0.067 0.000 1.026 194 L HN 0.410 nan 8.230 nan 0.000 0.469 195 G N 1.409 110.293 108.800 0.140 0.000 2.246 195 G HA2 -0.261 3.701 3.960 0.003 0.000 0.273 195 G HA3 -0.261 3.701 3.960 0.003 0.000 0.273 195 G C 0.007 175.123 174.900 0.360 0.000 1.055 195 G CA 0.037 45.277 45.100 0.233 0.000 0.851 195 G HN 0.202 nan 8.290 nan 0.000 0.500 196 L N -1.106 120.274 121.223 0.262 0.000 2.431 196 L HA 0.670 5.012 4.340 0.003 0.000 0.260 196 L C 1.207 178.252 176.870 0.292 0.000 1.098 196 L CA -1.162 53.866 54.840 0.313 0.000 0.800 196 L CB 0.852 43.014 42.059 0.172 0.000 1.210 196 L HN 0.053 nan 8.230 nan 0.000 0.465 197 L N 1.161 122.548 121.223 0.273 0.000 2.334 197 L HA 0.452 4.794 4.340 0.003 0.000 0.277 197 L C 0.435 177.349 176.870 0.073 0.000 1.075 197 L CA -0.561 54.347 54.840 0.114 0.000 0.804 197 L CB 1.406 43.480 42.059 0.025 0.000 1.174 197 L HN 0.693 nan 8.230 nan 0.000 0.438 198 A N 2.943 125.785 122.820 0.037 0.000 2.520 198 A HA 0.421 4.743 4.320 0.003 0.000 0.245 198 A C -0.096 177.499 177.584 0.017 0.000 1.072 198 A CA -0.257 51.795 52.037 0.025 0.000 0.761 198 A CB 0.076 19.085 19.000 0.015 0.000 1.004 198 A HN 0.556 nan 8.150 nan 0.000 0.499 199 V N 1.185 121.107 119.914 0.013 0.000 2.994 199 V HA 0.528 4.650 4.120 0.003 0.000 0.318 199 V C 0.163 176.247 176.094 -0.016 0.000 1.085 199 V CA -1.241 61.059 62.300 -0.000 0.000 0.998 199 V CB 1.423 33.250 31.823 0.007 0.000 1.063 199 V HN 0.889 nan 8.190 nan 0.000 0.447 200 N N 1.702 120.378 118.700 -0.041 0.000 2.447 200 N HA 0.109 4.851 4.740 0.003 0.000 0.263 200 N C 0.785 176.275 175.510 -0.032 0.000 1.226 200 N CA -0.063 52.935 53.050 -0.088 0.000 0.906 200 N CB 0.702 39.099 38.487 -0.151 0.000 1.060 200 N HN 0.730 nan 8.380 nan 0.000 0.468 201 Q N 2.302 122.092 119.800 -0.016 0.000 2.408 201 Q HA 0.068 4.410 4.340 0.003 0.000 0.205 201 Q C 0.984 176.963 176.000 -0.036 0.000 0.919 201 Q CA 0.721 56.520 55.803 -0.007 0.000 0.932 201 Q CB 0.405 29.149 28.738 0.009 0.000 1.058 201 Q HN 0.630 nan 8.270 nan 0.000 0.517 202 R N -1.242 119.236 120.500 -0.036 0.000 2.167 202 R HA 0.202 4.544 4.340 0.003 0.000 0.201 202 R C -0.043 175.945 176.300 -0.519 0.000 1.024 202 R CA 0.421 56.365 56.100 -0.260 0.000 1.053 202 R CB 0.712 30.897 30.300 -0.192 0.000 0.987 202 R HN -0.000 nan 8.270 nan 0.000 0.493 203 F N 0.195 120.205 119.950 0.100 0.000 2.588 203 F HA 0.430 4.959 4.527 0.003 0.000 0.314 203 F C -0.251 175.573 175.800 0.041 0.000 1.069 203 F CA -0.808 57.247 58.000 0.093 0.000 0.931 203 F CB 2.006 41.106 39.000 0.167 0.000 1.260 203 F HN -0.292 nan 8.300 nan 0.000 0.465 204 Q N 0.346 120.292 119.800 0.243 0.000 2.421 204 Q HA 0.268 4.610 4.340 0.003 0.000 0.280 204 Q C -1.828 174.240 176.000 0.114 0.000 1.085 204 Q CA -1.053 54.827 55.803 0.129 0.000 0.807 204 Q CB 2.997 31.780 28.738 0.075 0.000 1.405 204 Q HN 0.500 nan 8.270 nan 0.000 0.419 205 D N 2.042 122.480 120.400 0.063 0.000 2.500 205 D HA 0.117 4.759 4.640 0.003 0.000 0.219 205 D C -0.636 175.678 176.300 0.024 0.000 1.137 205 D CA 0.013 54.035 54.000 0.037 0.000 0.946 205 D CB -0.191 40.613 40.800 0.006 0.000 1.022 205 D HN 0.462 nan 8.370 nan 0.000 0.518 206 N N 3.202 121.922 118.700 0.033 0.000 2.727 206 N HA -0.201 4.541 4.740 0.003 0.000 0.249 206 N C 1.056 176.577 175.510 0.018 0.000 1.048 206 N CA 1.325 54.388 53.050 0.022 0.000 0.714 206 N CB -1.253 37.239 38.487 0.008 0.000 0.959 206 N HN 0.763 nan 8.380 nan 0.000 0.544 207 G N -1.570 107.244 108.800 0.025 0.000 2.241 207 G HA2 -0.350 3.612 3.960 0.003 0.000 0.244 207 G HA3 -0.350 3.612 3.960 0.003 0.000 0.244 207 G C 0.219 175.127 174.900 0.014 0.000 0.998 207 G CA 0.468 45.579 45.100 0.018 0.000 0.621 207 G HN 0.560 nan 8.290 nan 0.000 0.519 208 R N 0.780 121.286 120.500 0.011 0.000 2.532 208 R HA 0.700 5.042 4.340 0.003 0.000 0.272 208 R C 0.759 177.063 176.300 0.005 0.000 1.032 208 R CA -0.022 56.081 56.100 0.004 0.000 1.089 208 R CB 1.022 31.318 30.300 -0.006 0.000 1.098 208 R HN 0.491 nan 8.270 nan 0.000 0.526 209 A N 2.464 125.284 122.820 -0.001 0.000 2.425 209 A HA 0.362 4.684 4.320 0.003 0.000 0.242 209 A C -0.331 177.239 177.584 -0.023 0.000 1.077 209 A CA -0.033 52.002 52.037 -0.004 0.000 0.781 209 A CB 0.273 19.272 19.000 -0.001 0.000 1.020 209 A HN 0.540 nan 8.150 nan 0.000 0.494 210 L N 0.893 122.101 121.223 -0.024 0.000 2.333 210 L HA 0.428 4.770 4.340 0.003 0.000 0.263 210 L C -0.536 176.293 176.870 -0.068 0.000 1.014 210 L CA -0.877 53.926 54.840 -0.062 0.000 0.820 210 L CB 1.797 43.854 42.059 -0.004 0.000 1.352 210 L HN 0.643 nan 8.230 nan 0.000 0.421 211 L N 3.347 124.490 121.223 -0.133 0.000 2.485 211 L HA 0.171 4.513 4.340 0.003 0.000 0.275 211 L C -2.005 174.913 176.870 0.079 0.000 1.207 211 L CA -1.389 53.429 54.840 -0.038 0.000 0.855 211 L CB -0.105 41.883 42.059 -0.118 0.000 1.114 211 L HN 0.293 nan 8.230 nan 0.000 0.485 212 P HA 0.062 nan 4.420 nan 0.000 0.274 212 P C -0.644 176.649 177.300 -0.011 0.000 1.231 212 P CA -0.159 62.910 63.100 -0.051 0.000 0.790 212 P CB 0.434 32.138 31.700 0.007 0.000 0.951 213 F N 0.459 120.459 119.950 0.083 0.000 2.450 213 F HA 0.112 4.641 4.527 0.003 0.000 0.339 213 F C 1.524 177.318 175.800 -0.011 0.000 1.146 213 F CA 0.164 58.148 58.000 -0.027 0.000 1.267 213 F CB 0.308 39.279 39.000 -0.048 0.000 1.178 213 F HN 0.230 nan 8.300 nan 0.000 0.585 214 D N 1.482 121.992 120.400 0.183 0.000 2.177 214 D HA 0.081 4.723 4.640 0.003 0.000 0.247 214 D C -0.844 175.477 176.300 0.035 0.000 1.063 214 D CA -0.549 53.504 54.000 0.088 0.000 0.867 214 D CB 0.935 41.775 40.800 0.068 0.000 1.168 214 D HN 0.365 nan 8.370 nan 0.000 0.445 215 N N 3.571 122.272 118.700 0.001 0.000 2.719 215 N HA 0.239 4.981 4.740 0.003 0.000 0.243 215 N C -1.142 174.298 175.510 -0.117 0.000 1.104 215 N CA -0.187 52.827 53.050 -0.060 0.000 0.981 215 N CB -0.153 38.297 38.487 -0.062 0.000 1.290 215 N HN 0.320 nan 8.380 nan 0.000 0.513 216 L N 1.946 123.103 121.223 -0.110 0.000 2.334 216 L HA 0.389 4.731 4.340 0.003 0.000 0.272 216 L C 1.157 177.935 176.870 -0.153 0.000 1.020 216 L CA -0.861 53.913 54.840 -0.110 0.000 0.812 216 L CB 1.304 43.343 42.059 -0.034 0.000 1.264 216 L HN 0.558 nan 8.230 nan 0.000 0.439 217 H N -0.514 118.531 119.070 -0.043 0.000 2.261 217 H HA -0.038 4.520 4.556 0.003 0.000 0.301 217 H C -0.194 175.100 175.328 -0.057 0.000 1.067 217 H CA 1.275 57.295 56.048 -0.046 0.000 1.297 217 H CB 0.183 29.919 29.762 -0.043 0.000 1.377 217 H HN 0.444 nan 8.280 nan 0.000 0.492 218 D N 1.282 121.726 120.400 0.072 0.000 2.485 218 D HA 0.044 4.686 4.640 0.003 0.000 0.229 218 D C -0.707 175.554 176.300 -0.065 0.000 1.101 218 D CA -0.087 53.904 54.000 -0.015 0.000 0.906 218 D CB 0.475 41.254 40.800 -0.034 0.000 1.019 218 D HN 0.342 nan 8.370 nan 0.000 0.516 219 D N 2.961 123.316 120.400 -0.073 0.000 2.325 219 D HA 0.068 4.710 4.640 0.003 0.000 0.251 219 D C -1.371 174.850 176.300 -0.132 0.000 1.196 219 D CA -1.599 52.344 54.000 -0.094 0.000 0.866 219 D CB 2.070 42.821 40.800 -0.082 0.000 1.101 219 D HN 0.077 nan 8.370 nan 0.000 0.476 220 P HA -0.024 nan 4.420 nan 0.000 0.222 220 P C 1.467 178.676 177.300 -0.153 0.000 1.153 220 P CA 0.280 63.188 63.100 -0.320 0.000 0.798 220 P CB 0.179 31.401 31.700 -0.797 0.000 0.796 221 c N -0.452 118.131 118.600 -0.028 0.000 2.432 221 c HA 0.014 4.586 4.570 0.003 0.000 0.282 221 c C 2.836 176.965 174.090 0.064 0.000 1.388 221 c CA 0.364 56.763 56.329 0.117 0.000 1.777 221 c CB -1.865 40.726 42.510 0.134 0.000 1.882 221 c HN 0.181 nan 8.230 nan 0.000 0.520 222 L N 0.022 121.230 121.223 -0.024 0.000 2.217 222 L HA -0.063 4.279 4.340 0.003 0.000 0.211 222 L C 2.297 179.132 176.870 -0.058 0.000 1.107 222 L CA 1.069 55.873 54.840 -0.059 0.000 0.783 222 L CB -0.443 41.564 42.059 -0.087 0.000 0.919 222 L HN 0.350 nan 8.230 nan 0.000 0.442 223 L N -0.495 120.704 121.223 -0.040 0.000 2.291 223 L HA -0.115 4.227 4.340 0.003 0.000 0.214 223 L C 2.744 179.613 176.870 -0.001 0.000 1.120 223 L CA 1.297 56.117 54.840 -0.034 0.000 0.799 223 L CB -0.759 41.276 42.059 -0.041 0.000 0.925 223 L HN 0.421 nan 8.230 nan 0.000 0.446 224 T N -3.433 111.158 114.554 0.061 0.000 2.777 224 T HA -0.116 4.236 4.350 0.003 0.000 0.266 224 T C 1.053 175.731 174.700 -0.038 0.000 1.040 224 T CA 0.725 62.913 62.100 0.148 0.000 1.141 224 T CB -0.101 69.001 68.868 0.390 0.000 0.868 224 T HN 0.134 nan 8.240 nan 0.000 0.444 225 N N 0.286 118.816 118.700 -0.284 0.000 2.549 225 N HA 0.340 5.082 4.740 0.003 0.000 0.281 225 N C 0.352 175.645 175.510 -0.362 0.000 1.084 225 N CA -0.472 52.229 53.050 -0.582 0.000 0.862 225 N CB 1.703 39.294 38.487 -1.494 0.000 1.333 225 N HN 0.168 nan 8.380 nan 0.000 0.523 226 R N 0.413 120.764 120.500 -0.249 0.000 2.115 226 R HA -0.046 4.296 4.340 0.003 0.000 0.226 226 R C 1.695 177.895 176.300 -0.167 0.000 1.100 226 R CA 1.636 57.634 56.100 -0.169 0.000 0.980 226 R CB 0.182 30.408 30.300 -0.122 0.000 0.875 226 R HN 0.585 nan 8.270 nan 0.000 0.445 227 S N -0.416 115.165 115.700 -0.198 0.000 2.501 227 S HA 0.125 4.597 4.470 0.003 0.000 0.220 227 S C 1.958 176.460 174.600 -0.164 0.000 0.997 227 S CA 0.398 58.502 58.200 -0.159 0.000 0.919 227 S CB 0.519 63.631 63.200 -0.146 0.000 0.778 227 S HN 0.284 nan 8.310 nan 0.000 0.523 228 A N 2.251 124.929 122.820 -0.237 0.000 1.897 228 A HA 0.196 4.518 4.320 0.003 0.000 0.215 228 A C 1.284 178.791 177.584 -0.129 0.000 1.181 228 A CA 0.674 52.594 52.037 -0.195 0.000 0.620 228 A CB -0.519 18.304 19.000 -0.295 0.000 0.821 228 A HN 0.517 nan 8.150 nan 0.000 0.443 229 R N -1.486 118.928 120.500 -0.144 0.000 3.332 229 R HA -0.121 4.221 4.340 0.003 0.000 0.263 229 R C -1.077 175.112 176.300 -0.185 0.000 1.053 229 R CA 0.661 56.678 56.100 -0.137 0.000 0.705 229 R CB -1.974 28.264 30.300 -0.103 0.000 1.166 229 R HN 0.382 nan 8.270 nan 0.000 0.427 230 I N 1.758 122.226 120.570 -0.171 0.000 2.359 230 I HA 0.293 4.465 4.170 0.003 0.000 0.284 230 I C -1.461 174.514 176.117 -0.237 0.000 1.018 230 I CA -2.605 58.547 61.300 -0.247 0.000 1.173 230 I CB 0.902 38.860 38.000 -0.070 0.000 1.326 230 I HN -0.075 nan 8.210 nan 0.000 0.462 231 P HA 0.227 nan 4.420 nan 0.000 0.279 231 P C -0.232 176.962 177.300 -0.176 0.000 1.282 231 P CA -0.407 62.542 63.100 -0.252 0.000 0.788 231 P CB 0.830 32.355 31.700 -0.291 0.000 1.139 232 c N -0.319 118.243 118.600 -0.063 0.000 2.656 232 c HA 0.294 4.866 4.570 0.003 0.000 0.391 232 c C 0.964 175.035 174.090 -0.030 0.000 1.300 232 c CA -0.086 56.241 56.329 -0.004 0.000 2.302 232 c CB -1.441 41.140 42.510 0.119 0.000 2.655 232 c HN 0.360 nan 8.230 nan 0.000 0.656 233 F N 0.925 120.964 119.950 0.148 0.000 2.378 233 F HA 0.498 5.027 4.527 0.003 0.000 0.319 233 F C 0.301 176.115 175.800 0.023 0.000 1.155 233 F CA -0.573 57.473 58.000 0.076 0.000 1.157 233 F CB 0.387 39.382 39.000 -0.009 0.000 1.252 233 F HN 0.269 nan 8.300 nan 0.000 0.550 234 L N 2.068 123.416 121.223 0.207 0.000 2.298 234 L HA 0.771 5.113 4.340 0.003 0.000 0.284 234 L C -0.474 176.427 176.870 0.051 0.000 1.013 234 L CA 0.012 54.911 54.840 0.099 0.000 0.824 234 L CB 0.394 42.502 42.059 0.081 0.000 1.221 234 L HN 0.723 nan 8.230 nan 0.000 0.418 235 A N 3.052 125.876 122.820 0.008 0.000 2.507 235 A HA 0.689 5.011 4.320 0.003 0.000 0.284 235 A C 0.876 178.473 177.584 0.022 0.000 1.281 235 A CA -0.060 51.970 52.037 -0.011 0.000 0.744 235 A CB 0.352 19.289 19.000 -0.105 0.000 1.332 235 A HN 0.737 nan 8.150 nan 0.000 0.454 236 G N -0.915 107.917 108.800 0.053 0.000 2.432 236 G HA2 0.111 4.073 3.960 0.003 0.000 0.219 236 G HA3 0.111 4.073 3.960 0.003 0.000 0.219 236 G C 0.220 175.175 174.900 0.091 0.000 1.135 236 G CA 1.537 46.684 45.100 0.080 0.000 0.767 236 G HN 0.749 nan 8.290 nan 0.000 0.550 237 D N -1.647 118.814 120.400 0.101 0.000 2.185 237 D HA 0.408 5.050 4.640 0.003 0.000 0.247 237 D C 1.737 178.054 176.300 0.028 0.000 1.027 237 D CA 0.077 54.131 54.000 0.090 0.000 0.861 237 D CB 1.572 42.466 40.800 0.156 0.000 1.202 237 D HN -0.019 nan 8.370 nan 0.000 0.453 238 T N 0.404 114.984 114.554 0.043 0.000 2.995 238 T HA -0.051 4.301 4.350 0.003 0.000 0.269 238 T C 1.365 176.090 174.700 0.042 0.000 1.091 238 T CA 0.659 62.783 62.100 0.039 0.000 1.128 238 T CB -0.068 68.827 68.868 0.045 0.000 0.891 238 T HN 0.345 nan 8.240 nan 0.000 0.492 239 R N 1.672 122.192 120.500 0.033 0.000 2.335 239 R HA 0.213 4.555 4.340 0.003 0.000 0.223 239 R C 2.521 178.788 176.300 -0.055 0.000 0.940 239 R CA 0.482 56.594 56.100 0.020 0.000 1.086 239 R CB -0.155 30.176 30.300 0.052 0.000 1.073 239 R HN 0.629 nan 8.270 nan 0.000 0.504 240 S N -0.263 115.349 115.700 -0.146 0.000 2.402 240 S HA -0.170 4.302 4.470 0.003 0.000 0.233 240 S C 1.664 176.178 174.600 -0.144 0.000 1.030 240 S CA 1.598 59.571 58.200 -0.378 0.000 1.003 240 S CB -0.073 62.793 63.200 -0.556 0.000 0.813 240 S HN 0.138 nan 8.310 nan 0.000 0.477 241 S N 0.800 116.482 115.700 -0.031 0.000 2.556 241 S HA 0.197 4.670 4.470 0.003 0.000 0.216 241 S C 1.507 175.970 174.600 -0.228 0.000 0.970 241 S CA -0.051 58.176 58.200 0.045 0.000 0.912 241 S CB -0.089 63.254 63.200 0.239 0.000 0.790 241 S HN 0.519 nan 8.310 nan 0.000 0.504 242 E N 2.101 122.037 120.200 -0.440 0.000 2.114 242 E HA -0.188 4.164 4.350 0.003 0.000 0.199 242 E C 0.665 177.109 176.600 -0.260 0.000 1.008 242 E CA 1.090 57.046 56.400 -0.740 0.000 0.810 242 E CB 0.020 29.512 29.700 -0.347 0.000 0.739 242 E HN 0.635 nan 8.360 nan 0.000 0.456 243 M N -3.397 116.165 119.600 -0.062 0.000 2.470 243 M HA 0.374 4.856 4.480 0.003 0.000 0.285 243 M C -2.597 173.705 176.300 0.004 0.000 1.213 243 M CA -1.825 53.495 55.300 0.033 0.000 0.901 243 M CB 2.296 34.963 32.600 0.111 0.000 1.718 243 M HN -0.405 nan 8.290 nan 0.000 0.469 244 P HA -0.103 nan 4.420 nan 0.000 0.219 244 P C 0.498 177.780 177.300 -0.031 0.000 1.146 244 P CA 1.563 64.639 63.100 -0.039 0.000 0.808 244 P CB 0.158 31.804 31.700 -0.091 0.000 0.779 245 E N -0.799 119.397 120.200 -0.007 0.000 2.106 245 E HA -0.146 4.206 4.350 0.003 0.000 0.192 245 E C 1.820 178.436 176.600 0.028 0.000 0.984 245 E CA 0.754 57.164 56.400 0.016 0.000 0.806 245 E CB -1.016 28.709 29.700 0.042 0.000 0.750 245 E HN 0.143 nan 8.360 nan 0.000 0.458 246 L N 0.493 121.743 121.223 0.046 0.000 2.072 246 L HA -0.098 4.244 4.340 0.003 0.000 0.205 246 L C 1.939 178.889 176.870 0.132 0.000 1.079 246 L CA 1.782 56.678 54.840 0.093 0.000 0.752 246 L CB -0.704 41.423 42.059 0.114 0.000 0.906 246 L HN 0.083 nan 8.230 nan 0.000 0.436 247 T N -0.969 113.608 114.554 0.038 0.000 2.720 247 T HA -0.164 4.188 4.350 0.003 0.000 0.268 247 T C 1.961 176.605 174.700 -0.094 0.000 1.037 247 T CA 1.652 63.712 62.100 -0.066 0.000 1.144 247 T CB -0.397 68.376 68.868 -0.158 0.000 0.864 247 T HN 0.395 nan 8.240 nan 0.000 0.444 248 S N 1.165 116.822 115.700 -0.072 0.000 2.382 248 S HA -0.041 4.431 4.470 0.003 0.000 0.228 248 S C 2.081 176.651 174.600 -0.049 0.000 1.027 248 S CA 0.954 59.110 58.200 -0.073 0.000 0.991 248 S CB -0.284 62.886 63.200 -0.049 0.000 0.823 248 S HN 0.313 nan 8.310 nan 0.000 0.469 249 M N 0.728 120.312 119.600 -0.026 0.000 2.200 249 M HA -0.011 4.471 4.480 0.003 0.000 0.265 249 M C 1.909 178.148 176.300 -0.101 0.000 1.066 249 M CA 1.404 56.670 55.300 -0.056 0.000 1.127 249 M CB -1.485 31.078 32.600 -0.062 0.000 1.379 249 M HN 0.380 nan 8.290 nan 0.000 0.420 250 H N -0.181 118.834 119.070 -0.092 0.000 2.353 250 H HA -0.059 4.499 4.556 0.003 0.000 0.300 250 H C 1.907 177.152 175.328 -0.138 0.000 1.090 250 H CA 2.063 58.044 56.048 -0.112 0.000 1.327 250 H CB -0.168 29.523 29.762 -0.118 0.000 1.383 250 H HN 0.343 nan 8.280 nan 0.000 0.508 251 T N 1.604 116.131 114.554 -0.045 0.000 2.777 251 T HA -0.124 4.228 4.350 0.003 0.000 0.266 251 T C 2.206 176.862 174.700 -0.073 0.000 1.040 251 T CA 0.856 62.893 62.100 -0.105 0.000 1.141 251 T CB -0.448 68.317 68.868 -0.171 0.000 0.868 251 T HN 0.085 nan 8.240 nan 0.000 0.444 252 L N 0.787 121.971 121.223 -0.066 0.000 2.046 252 L HA 0.038 4.380 4.340 0.003 0.000 0.208 252 L C 2.093 178.931 176.870 -0.052 0.000 1.077 252 L CA 1.572 56.380 54.840 -0.054 0.000 0.747 252 L CB -0.544 41.485 42.059 -0.049 0.000 0.896 252 L HN 0.230 nan 8.230 nan 0.000 0.432 253 L N -1.440 119.741 121.223 -0.070 0.000 2.156 253 L HA -0.154 4.188 4.340 0.003 0.000 0.208 253 L C 2.405 179.238 176.870 -0.062 0.000 1.095 253 L CA 0.927 55.721 54.840 -0.076 0.000 0.770 253 L CB -0.469 41.515 42.059 -0.126 0.000 0.914 253 L HN 0.346 nan 8.230 nan 0.000 0.439 254 L N -0.252 120.931 121.223 -0.065 0.000 2.056 254 L HA -0.188 4.154 4.340 0.003 0.000 0.207 254 L C 2.817 179.701 176.870 0.024 0.000 1.078 254 L CA 1.447 56.263 54.840 -0.041 0.000 0.749 254 L CB -0.173 41.855 42.059 -0.052 0.000 0.901 254 L HN 0.113 nan 8.230 nan 0.000 0.433 255 R N -0.564 119.936 120.500 0.000 0.000 2.115 255 R HA -0.186 4.156 4.340 0.003 0.000 0.230 255 R C 2.173 178.482 176.300 0.016 0.000 1.111 255 R CA 1.316 57.421 56.100 0.008 0.000 0.976 255 R CB -0.271 30.021 30.300 -0.014 0.000 0.870 255 R HN 0.353 nan 8.270 nan 0.000 0.445 256 E N 0.338 120.543 120.200 0.009 0.000 2.077 256 E HA -0.221 4.131 4.350 0.003 0.000 0.193 256 E C 1.734 178.349 176.600 0.025 0.000 0.989 256 E CA 1.586 57.985 56.400 -0.002 0.000 0.800 256 E CB -0.148 29.542 29.700 -0.017 0.000 0.746 256 E HN 0.422 nan 8.360 nan 0.000 0.452 257 H N -0.140 118.926 119.070 -0.007 0.000 2.321 257 H HA -0.045 4.513 4.556 0.003 0.000 0.300 257 H C 1.628 176.980 175.328 0.041 0.000 1.087 257 H CA 2.180 58.254 56.048 0.043 0.000 1.319 257 H CB -0.059 29.767 29.762 0.108 0.000 1.379 257 H HN 0.132 nan 8.280 nan 0.000 0.501 258 N N 0.242 119.018 118.700 0.128 0.000 2.188 258 N HA -0.129 4.613 4.740 0.003 0.000 0.184 258 N C 1.995 177.495 175.510 -0.016 0.000 1.018 258 N CA 0.967 54.058 53.050 0.069 0.000 0.858 258 N CB -0.335 38.209 38.487 0.095 0.000 0.989 258 N HN 0.411 nan 8.380 nan 0.000 0.426 259 R N 0.629 121.112 120.500 -0.028 0.000 2.075 259 R HA 0.059 4.401 4.340 0.003 0.000 0.232 259 R C 2.050 178.295 176.300 -0.091 0.000 1.126 259 R CA 0.680 56.750 56.100 -0.051 0.000 0.963 259 R CB -0.146 30.125 30.300 -0.048 0.000 0.858 259 R HN 0.165 nan 8.270 nan 0.000 0.435 260 L N 0.024 121.169 121.223 -0.130 0.000 2.056 260 L HA -0.071 4.271 4.340 0.003 0.000 0.207 260 L C 2.634 179.399 176.870 -0.175 0.000 1.078 260 L CA 1.227 55.958 54.840 -0.182 0.000 0.749 260 L CB -0.421 41.506 42.059 -0.220 0.000 0.901 260 L HN 0.257 nan 8.230 nan 0.000 0.433 261 A N -0.628 122.075 122.820 -0.195 0.000 1.972 261 A HA -0.174 4.148 4.320 0.003 0.000 0.219 261 A C 2.327 179.880 177.584 -0.051 0.000 1.169 261 A CA 2.178 54.139 52.037 -0.126 0.000 0.635 261 A CB -0.768 18.142 19.000 -0.150 0.000 0.810 261 A HN 0.402 nan 8.150 nan 0.000 0.446 262 T N -0.218 114.302 114.554 -0.056 0.000 2.812 262 T HA -0.091 4.261 4.350 0.003 0.000 0.264 262 T C 1.739 176.407 174.700 -0.054 0.000 1.042 262 T CA 1.448 63.526 62.100 -0.037 0.000 1.140 262 T CB -0.191 68.659 68.868 -0.030 0.000 0.870 262 T HN 0.627 nan 8.240 nan 0.000 0.445 263 E N 0.679 120.832 120.200 -0.079 0.000 2.152 263 E HA 0.030 4.382 4.350 0.003 0.000 0.192 263 E C 2.098 178.631 176.600 -0.112 0.000 0.983 263 E CA 0.563 56.908 56.400 -0.092 0.000 0.818 263 E CB -0.187 29.448 29.700 -0.108 0.000 0.758 263 E HN 0.408 nan 8.360 nan 0.000 0.467 264 L N 0.761 121.916 121.223 -0.115 0.000 2.217 264 L HA -0.145 4.197 4.340 0.003 0.000 0.211 264 L C 2.402 179.175 176.870 -0.162 0.000 1.107 264 L CA 0.753 55.510 54.840 -0.138 0.000 0.783 264 L CB -0.118 41.929 42.059 -0.021 0.000 0.919 264 L HN -0.017 nan 8.230 nan 0.000 0.442 265 K N -0.017 120.339 120.400 -0.075 0.000 2.097 265 K HA -0.092 4.230 4.320 0.003 0.000 0.205 265 K C 2.109 178.653 176.600 -0.092 0.000 1.050 265 K CA 1.527 57.781 56.287 -0.055 0.000 0.938 265 K CB -0.113 32.383 32.500 -0.007 0.000 0.718 265 K HN 0.059 nan 8.250 nan 0.000 0.442 266 S N 0.515 116.160 115.700 -0.093 0.000 2.368 266 S HA -0.026 4.446 4.470 0.003 0.000 0.224 266 S C 1.556 176.084 174.600 -0.119 0.000 1.029 266 S CA 0.882 59.030 58.200 -0.087 0.000 0.988 266 S CB -0.196 62.963 63.200 -0.068 0.000 0.838 266 S HN 0.180 nan 8.310 nan 0.000 0.462 267 L N 1.416 122.541 121.223 -0.163 0.000 2.056 267 L HA 0.085 4.427 4.340 0.003 0.000 0.207 267 L C 0.145 176.838 176.870 -0.295 0.000 1.078 267 L CA 1.404 56.127 54.840 -0.197 0.000 0.749 267 L CB -0.833 41.108 42.059 -0.196 0.000 0.901 267 L HN 0.296 nan 8.230 nan 0.000 0.433 268 N N -0.366 118.070 118.700 -0.440 0.000 2.664 268 N HA 0.201 4.943 4.740 0.003 0.000 0.257 268 N C -2.057 173.266 175.510 -0.312 0.000 1.108 268 N CA -0.980 51.724 53.050 -0.577 0.000 0.822 268 N CB 1.814 39.396 38.487 -1.507 0.000 1.199 268 N HN -0.023 nan 8.380 nan 0.000 0.529 269 P HA 0.057 nan 4.420 nan 0.000 0.233 269 P C 1.153 178.471 177.300 0.029 0.000 1.167 269 P CA 0.566 63.642 63.100 -0.040 0.000 0.770 269 P CB 0.557 32.238 31.700 -0.032 0.000 0.837 270 R N -1.832 118.697 120.500 0.047 0.000 2.200 270 R HA 0.003 4.345 4.340 0.003 0.000 0.208 270 R C 0.346 176.817 176.300 0.286 0.000 1.033 270 R CA 0.326 56.514 56.100 0.146 0.000 1.000 270 R CB -0.812 29.580 30.300 0.155 0.000 0.906 270 R HN 0.269 nan 8.270 nan 0.000 0.462 271 W N 3.793 125.109 121.300 0.027 0.000 2.308 271 W HA 0.017 4.679 4.660 0.003 0.000 0.324 271 W C 0.607 177.143 176.519 0.029 0.000 1.387 271 W CA -1.162 56.202 57.345 0.031 0.000 1.250 271 W CB -0.124 29.359 29.460 0.038 0.000 1.257 271 W HN 0.155 nan 8.180 nan 0.000 0.554 272 D N 0.295 120.812 120.400 0.195 0.000 2.478 272 D HA 0.313 4.955 4.640 0.003 0.000 0.269 272 D C 1.555 177.922 176.300 0.111 0.000 1.232 272 D CA -0.238 53.833 54.000 0.118 0.000 1.059 272 D CB -0.235 40.604 40.800 0.064 0.000 1.104 272 D HN 0.378 nan 8.370 nan 0.000 0.566 273 G N -0.874 107.975 108.800 0.082 0.000 2.440 273 G HA2 -0.350 3.612 3.960 0.003 0.000 0.218 273 G HA3 -0.350 3.612 3.960 0.003 0.000 0.218 273 G C 1.366 176.324 174.900 0.096 0.000 1.154 273 G CA 1.276 46.428 45.100 0.086 0.000 0.767 273 G HN 0.610 nan 8.290 nan 0.000 0.552 274 E N 0.406 120.638 120.200 0.054 0.000 2.047 274 E HA -0.095 4.257 4.350 0.003 0.000 0.191 274 E C 2.486 179.112 176.600 0.044 0.000 0.987 274 E CA 1.146 57.577 56.400 0.052 0.000 0.799 274 E CB -0.249 29.453 29.700 0.003 0.000 0.752 274 E HN 0.307 nan 8.360 nan 0.000 0.449 275 R N -0.063 120.413 120.500 -0.040 0.000 2.081 275 R HA -0.017 4.325 4.340 0.003 0.000 0.235 275 R C 2.309 178.539 176.300 -0.116 0.000 1.131 275 R CA 1.487 57.466 56.100 -0.203 0.000 0.960 275 R CB -0.592 29.463 30.300 -0.407 0.000 0.856 275 R HN 0.303 nan 8.270 nan 0.000 0.436 276 L N -0.829 120.451 121.223 0.095 0.000 2.093 276 L HA -0.152 4.190 4.340 0.003 0.000 0.208 276 L C 2.202 179.156 176.870 0.140 0.000 1.085 276 L CA 1.492 56.457 54.840 0.208 0.000 0.755 276 L CB -0.576 41.621 42.059 0.231 0.000 0.904 276 L HN 0.272 nan 8.230 nan 0.000 0.435 277 Y N 0.342 120.676 120.300 0.057 0.000 2.133 277 Y HA -0.271 4.281 4.550 0.003 0.000 0.287 277 Y C 2.778 178.712 175.900 0.057 0.000 1.134 277 Y CA 1.483 59.657 58.100 0.123 0.000 1.133 277 Y CB 0.006 38.534 38.460 0.113 0.000 0.987 277 Y HN 0.114 nan 8.280 nan 0.000 0.502 278 Q N 0.442 120.184 119.800 -0.096 0.000 2.124 278 Q HA -0.174 4.168 4.340 0.003 0.000 0.202 278 Q C 2.064 177.930 176.000 -0.224 0.000 0.977 278 Q CA 1.496 57.147 55.803 -0.255 0.000 0.850 278 Q CB -0.276 28.381 28.738 -0.136 0.000 0.901 278 Q HN 0.616 nan 8.270 nan 0.000 0.429 279 E N 0.433 120.562 120.200 -0.118 0.000 2.106 279 E HA -0.077 4.275 4.350 0.003 0.000 0.192 279 E C 1.845 178.449 176.600 0.006 0.000 0.984 279 E CA 1.022 57.428 56.400 0.010 0.000 0.806 279 E CB -0.044 29.736 29.700 0.133 0.000 0.750 279 E HN 0.295 nan 8.360 nan 0.000 0.458 280 A N 1.311 124.075 122.820 -0.094 0.000 1.968 280 A HA -0.149 4.173 4.320 0.003 0.000 0.217 280 A C 2.178 179.724 177.584 -0.063 0.000 1.169 280 A CA 1.390 53.326 52.037 -0.168 0.000 0.638 280 A CB -0.402 18.321 19.000 -0.461 0.000 0.812 280 A HN 0.114 nan 8.150 nan 0.000 0.446 281 R N -0.075 120.302 120.500 -0.206 0.000 2.096 281 R HA -0.123 4.219 4.340 0.003 0.000 0.235 281 R C 2.150 178.329 176.300 -0.202 0.000 1.127 281 R CA 1.843 57.672 56.100 -0.452 0.000 0.968 281 R CB -0.249 29.375 30.300 -1.128 0.000 0.861 281 R HN 0.477 nan 8.270 nan 0.000 0.440 282 K N 0.206 120.534 120.400 -0.119 0.000 2.097 282 K HA -0.095 4.227 4.320 0.003 0.000 0.206 282 K C 1.943 178.691 176.600 0.247 0.000 1.049 282 K CA 1.478 57.791 56.287 0.043 0.000 0.933 282 K CB -0.002 32.527 32.500 0.048 0.000 0.717 282 K HN 0.219 nan 8.250 nan 0.000 0.442 283 I N -0.019 120.660 120.570 0.182 0.000 2.233 283 I HA -0.230 3.942 4.170 0.003 0.000 0.243 283 I C 2.086 178.208 176.117 0.007 0.000 1.093 283 I CA 0.669 62.022 61.300 0.088 0.000 1.380 283 I CB -0.143 37.791 38.000 -0.110 0.000 1.067 283 I HN -0.077 nan 8.210 nan 0.000 0.413 284 V N 1.255 121.198 119.914 0.048 0.000 2.332 284 V HA -0.234 3.888 4.120 0.003 0.000 0.248 284 V C 2.607 178.747 176.094 0.078 0.000 1.055 284 V CA 2.227 64.573 62.300 0.077 0.000 1.038 284 V CB -1.519 30.431 31.823 0.210 0.000 0.651 284 V HN 0.594 nan 8.190 nan 0.000 0.450 285 G N -0.443 108.425 108.800 0.114 0.000 2.418 285 G HA2 -0.210 3.752 3.960 0.003 0.000 0.217 285 G HA3 -0.210 3.752 3.960 0.003 0.000 0.217 285 G C 1.742 176.661 174.900 0.033 0.000 1.158 285 G CA 1.056 46.215 45.100 0.099 0.000 0.771 285 G HN 0.620 nan 8.290 nan 0.000 0.545 286 A N 0.394 123.216 122.820 0.003 0.000 1.930 286 A HA 0.129 4.451 4.320 0.003 0.000 0.217 286 A C 2.442 179.810 177.584 -0.360 0.000 1.175 286 A CA 1.578 53.509 52.037 -0.177 0.000 0.627 286 A CB -0.319 18.604 19.000 -0.128 0.000 0.815 286 A HN 0.373 nan 8.150 nan 0.000 0.443 287 M N -0.593 118.871 119.600 -0.227 0.000 2.108 287 M HA -0.153 4.329 4.480 0.003 0.000 0.261 287 M C 2.066 178.286 176.300 -0.133 0.000 1.066 287 M CA 1.519 56.691 55.300 -0.214 0.000 1.107 287 M CB -0.407 32.112 32.600 -0.135 0.000 1.356 287 M HN 0.271 nan 8.290 nan 0.000 0.406 288 V N 0.025 119.909 119.914 -0.051 0.000 2.427 288 V HA -0.264 3.858 4.120 0.003 0.000 0.248 288 V C 2.147 178.297 176.094 0.094 0.000 1.051 288 V CA 1.681 64.000 62.300 0.032 0.000 1.048 288 V CB -0.841 31.023 31.823 0.069 0.000 0.666 288 V HN 0.522 nan 8.190 nan 0.000 0.456 289 Q N -0.407 119.411 119.800 0.030 0.000 2.084 289 Q HA -0.153 4.189 4.340 0.003 0.000 0.202 289 Q C 2.265 178.334 176.000 0.117 0.000 0.978 289 Q CA 1.793 57.650 55.803 0.089 0.000 0.844 289 Q CB -0.220 28.353 28.738 -0.275 0.000 0.898 289 Q HN 0.595 nan 8.270 nan 0.000 0.426 290 I N 0.247 120.703 120.570 -0.190 0.000 2.202 290 I HA -0.265 3.907 4.170 0.003 0.000 0.242 290 I C 2.087 178.255 176.117 0.086 0.000 1.091 290 I CA 1.077 62.285 61.300 -0.153 0.000 1.368 290 I CB -0.189 37.511 38.000 -0.499 0.000 1.058 290 I HN 0.164 nan 8.210 nan 0.000 0.410 291 I N 0.176 120.792 120.570 0.076 0.000 2.361 291 I HA -0.243 3.929 4.170 0.003 0.000 0.251 291 I C 2.450 178.754 176.117 0.311 0.000 1.133 291 I CA 1.341 62.751 61.300 0.183 0.000 1.413 291 I CB -0.618 37.473 38.000 0.151 0.000 1.073 291 I HN 0.238 nan 8.210 nan 0.000 0.424 292 T N -0.377 114.352 114.554 0.291 0.000 2.732 292 T HA -0.152 4.200 4.350 0.003 0.000 0.261 292 T C 1.691 176.528 174.700 0.227 0.000 1.040 292 T CA 1.552 63.814 62.100 0.269 0.000 1.145 292 T CB -0.338 68.706 68.868 0.293 0.000 0.866 292 T HN 0.284 nan 8.240 nan 0.000 0.427 293 Y N 0.321 120.784 120.300 0.272 0.000 2.490 293 Y HA 0.239 4.791 4.550 0.003 0.000 0.285 293 Y C 2.647 178.691 175.900 0.241 0.000 1.117 293 Y CA 0.320 58.590 58.100 0.285 0.000 1.262 293 Y CB 0.179 38.927 38.460 0.481 0.000 1.043 293 Y HN -0.027 nan 8.280 nan 0.000 0.553 294 R N -0.204 120.513 120.500 0.362 0.000 2.146 294 R HA -0.032 4.310 4.340 0.003 0.000 0.206 294 R C 0.687 177.116 176.300 0.215 0.000 1.049 294 R CA 1.214 57.472 56.100 0.264 0.000 1.029 294 R CB 0.286 30.725 30.300 0.231 0.000 0.949 294 R HN 0.204 nan 8.270 nan 0.000 0.471 295 D N -0.985 119.576 120.400 0.267 0.000 2.525 295 D HA -0.058 4.584 4.640 0.003 0.000 0.248 295 D C 1.269 177.834 176.300 0.442 0.000 1.000 295 D CA 0.616 54.821 54.000 0.341 0.000 0.923 295 D CB -0.232 40.783 40.800 0.358 0.000 1.101 295 D HN 0.119 nan 8.370 nan 0.000 0.493 296 Y N 1.779 122.197 120.300 0.196 0.000 2.163 296 Y HA 0.073 4.625 4.550 0.003 0.000 0.288 296 Y C 2.187 177.989 175.900 -0.164 0.000 1.112 296 Y CA 1.096 59.085 58.100 -0.186 0.000 1.104 296 Y CB -0.512 37.726 38.460 -0.371 0.000 1.016 296 Y HN -0.213 nan 8.280 nan 0.000 0.497 297 L N 0.411 121.487 121.223 -0.245 0.000 2.042 297 L HA -0.175 4.167 4.340 0.003 0.000 0.210 297 L C -0.575 176.142 176.870 -0.256 0.000 1.076 297 L CA 1.470 56.076 54.840 -0.390 0.000 0.749 297 L CB -1.763 40.047 42.059 -0.415 0.000 0.893 297 L HN 0.222 nan 8.230 nan 0.000 0.432 298 P HA -0.172 nan 4.420 nan 0.000 0.219 298 P C 1.501 178.750 177.300 -0.086 0.000 1.146 298 P CA 1.230 64.298 63.100 -0.054 0.000 0.808 298 P CB 0.093 31.805 31.700 0.020 0.000 0.779 299 L N -2.290 118.852 121.223 -0.135 0.000 2.509 299 L HA -0.011 4.331 4.340 0.003 0.000 0.222 299 L C 2.087 178.825 176.870 -0.219 0.000 1.123 299 L CA 0.931 55.693 54.840 -0.131 0.000 0.856 299 L CB -0.645 41.374 42.059 -0.067 0.000 0.985 299 L HN -0.158 nan 8.230 nan 0.000 0.456 300 V N -1.142 118.563 119.914 -0.349 0.000 2.374 300 V HA -0.119 4.003 4.120 0.003 0.000 0.241 300 V C 2.017 177.950 176.094 -0.268 0.000 1.034 300 V CA 1.231 63.306 62.300 -0.376 0.000 1.037 300 V CB -0.249 31.255 31.823 -0.532 0.000 0.682 300 V HN 0.253 nan 8.190 nan 0.000 0.463 301 L N 0.067 121.166 121.223 -0.206 0.000 2.270 301 L HA 0.432 4.774 4.340 0.003 0.000 0.210 301 L C 1.219 178.051 176.870 -0.064 0.000 1.104 301 L CA 0.867 55.637 54.840 -0.117 0.000 0.804 301 L CB -0.761 41.266 42.059 -0.053 0.000 0.937 301 L HN 0.543 nan 8.230 nan 0.000 0.450 302 G N -0.018 108.742 108.800 -0.066 0.000 2.746 302 G HA2 -0.168 3.794 3.960 0.003 0.000 0.685 302 G HA3 -0.168 3.794 3.960 0.003 0.000 0.685 302 G C -2.224 172.670 174.900 -0.009 0.000 1.350 302 G CA -0.338 44.742 45.100 -0.033 0.000 0.837 302 G HN -0.023 nan 8.290 nan 0.000 0.564 303 P HA -0.063 nan 4.420 nan 0.000 0.217 303 P C 1.751 179.058 177.300 0.012 0.000 1.151 303 P CA 2.318 65.423 63.100 0.009 0.000 0.828 303 P CB -0.101 31.604 31.700 0.008 0.000 0.788 304 T N 0.310 114.869 114.554 0.008 0.000 2.770 304 T HA -0.009 4.343 4.350 0.003 0.000 0.263 304 T C 2.126 176.831 174.700 0.008 0.000 1.039 304 T CA 1.616 63.717 62.100 0.002 0.000 1.142 304 T CB -0.860 68.009 68.868 0.001 0.000 0.868 304 T HN 0.070 nan 8.240 nan 0.000 0.435 305 A N 0.945 123.793 122.820 0.048 0.000 2.014 305 A HA 0.106 4.428 4.320 0.003 0.000 0.218 305 A C 2.192 179.869 177.584 0.156 0.000 1.163 305 A CA 1.167 53.286 52.037 0.137 0.000 0.652 305 A CB -0.596 18.525 19.000 0.200 0.000 0.808 305 A HN 0.378 nan 8.150 nan 0.000 0.449 306 M N -0.053 119.596 119.600 0.082 0.000 2.132 306 M HA -0.060 4.422 4.480 0.003 0.000 0.263 306 M C 1.982 178.324 176.300 0.070 0.000 1.065 306 M CA 1.565 56.911 55.300 0.078 0.000 1.122 306 M CB -0.356 32.272 32.600 0.047 0.000 1.365 306 M HN 0.362 nan 8.290 nan 0.000 0.411 307 R N -0.712 119.806 120.500 0.030 0.000 2.115 307 R HA -0.099 4.243 4.340 0.003 0.000 0.226 307 R C 2.284 178.559 176.300 -0.041 0.000 1.100 307 R CA 1.307 57.410 56.100 0.006 0.000 0.980 307 R CB -0.281 30.015 30.300 -0.005 0.000 0.875 307 R HN 0.431 nan 8.270 nan 0.000 0.445 308 K N 0.032 120.367 120.400 -0.109 0.000 2.007 308 K HA -0.121 4.201 4.320 0.003 0.000 0.206 308 K C 1.210 177.618 176.600 -0.319 0.000 1.047 308 K CA 1.348 57.457 56.287 -0.296 0.000 0.937 308 K CB 0.045 32.226 32.500 -0.532 0.000 0.718 308 K HN 0.087 nan 8.250 nan 0.000 0.438 309 Y N -0.124 120.190 120.300 0.023 0.000 2.510 309 Y HA 0.245 4.797 4.550 0.003 0.000 0.273 309 Y C 0.391 176.327 175.900 0.060 0.000 1.119 309 Y CA 0.183 58.306 58.100 0.038 0.000 1.286 309 Y CB 0.663 39.151 38.460 0.047 0.000 1.061 309 Y HN -0.073 nan 8.280 nan 0.000 0.542 310 L N 2.448 123.780 121.223 0.181 0.000 2.551 310 L HA 0.337 4.679 4.340 0.003 0.000 0.248 310 L C -2.512 174.433 176.870 0.124 0.000 1.509 310 L CA -1.701 53.240 54.840 0.169 0.000 0.842 310 L CB 1.060 43.244 42.059 0.208 0.000 1.087 310 L HN -0.129 nan 8.230 nan 0.000 0.512 311 P HA 0.120 nan 4.420 nan 0.000 0.275 311 P C -0.118 177.232 177.300 0.084 0.000 1.266 311 P CA -0.240 62.895 63.100 0.058 0.000 0.793 311 P CB 0.359 32.069 31.700 0.017 0.000 1.074 312 T N 0.450 115.048 114.554 0.074 0.000 2.891 312 T HA -0.114 4.238 4.350 0.003 0.000 0.296 312 T C 0.143 174.901 174.700 0.096 0.000 1.025 312 T CA 0.574 62.733 62.100 0.099 0.000 1.149 312 T CB -0.632 68.277 68.868 0.068 0.000 1.007 312 T HN 0.247 nan 8.240 nan 0.000 0.528 313 Y N 4.121 124.427 120.300 0.010 0.000 2.526 313 Y HA 0.115 4.667 4.550 0.003 0.000 0.330 313 Y C 1.244 177.123 175.900 -0.034 0.000 1.156 313 Y CA -0.248 57.828 58.100 -0.040 0.000 1.419 313 Y CB 0.460 38.894 38.460 -0.042 0.000 1.250 313 Y HN 0.504 nan 8.280 nan 0.000 0.540 314 R N 2.697 122.803 120.500 -0.657 0.000 1.986 314 R HA 0.276 4.618 4.340 0.003 0.000 0.208 314 R C -0.125 175.751 176.300 -0.707 0.000 1.376 314 R CA 1.023 56.826 56.100 -0.494 0.000 1.075 314 R CB -0.767 29.339 30.300 -0.323 0.000 0.925 314 R HN 0.737 nan 8.270 nan 0.000 0.475 315 S N -1.476 113.716 115.700 -0.847 0.000 2.661 315 S HA 0.216 4.688 4.470 0.003 0.000 0.268 315 S C -1.258 173.167 174.600 -0.291 0.000 1.162 315 S CA -0.950 56.944 58.200 -0.509 0.000 0.817 315 S CB 0.774 63.876 63.200 -0.163 0.000 1.141 315 S HN 0.233 nan 8.310 nan 0.000 0.477 316 Y N 2.619 122.876 120.300 -0.072 0.000 2.620 316 Y HA 0.471 5.023 4.550 0.003 0.000 0.330 316 Y C -0.035 175.832 175.900 -0.055 0.000 1.186 316 Y CA 0.005 58.103 58.100 -0.002 0.000 1.467 316 Y CB 0.360 38.842 38.460 0.038 0.000 1.262 316 Y HN 0.787 nan 8.280 nan 0.000 0.550 317 N N 5.365 123.717 118.700 -0.581 0.000 2.476 317 N HA 0.082 4.824 4.740 0.003 0.000 0.257 317 N C -0.067 174.941 175.510 -0.837 0.000 0.970 317 N CA -0.497 52.203 53.050 -0.582 0.000 0.938 317 N CB 0.647 38.964 38.487 -0.284 0.000 1.144 317 N HN 0.823 nan 8.380 nan 0.000 0.500 318 D N 1.151 121.041 120.400 -0.851 0.000 2.363 318 D HA -0.012 4.630 4.640 0.003 0.000 0.226 318 D C 0.038 176.225 176.300 -0.189 0.000 1.020 318 D CA 0.418 54.104 54.000 -0.523 0.000 0.892 318 D CB 0.207 40.863 40.800 -0.240 0.000 0.900 318 D HN 0.198 nan 8.370 nan 0.000 0.531 319 S N -0.431 115.159 115.700 -0.184 0.000 2.540 319 S HA 0.146 4.618 4.470 0.003 0.000 0.218 319 S C 0.569 175.132 174.600 -0.062 0.000 0.977 319 S CA -0.477 57.669 58.200 -0.090 0.000 0.918 319 S CB 0.830 63.980 63.200 -0.084 0.000 0.806 319 S HN 0.112 nan 8.310 nan 0.000 0.496 320 V N 3.255 123.124 119.914 -0.075 0.000 2.432 320 V HA 0.206 4.328 4.120 0.003 0.000 0.271 320 V C 0.077 176.179 176.094 0.014 0.000 1.046 320 V CA -0.875 61.408 62.300 -0.029 0.000 0.945 320 V CB 1.115 32.919 31.823 -0.033 0.000 0.992 320 V HN 0.196 nan 8.190 nan 0.000 0.471 321 D N 8.107 128.514 120.400 0.010 0.000 2.346 321 D HA 0.149 4.791 4.640 0.003 0.000 0.260 321 D C -1.476 174.812 176.300 -0.020 0.000 1.252 321 D CA -1.643 52.364 54.000 0.010 0.000 0.895 321 D CB 1.779 42.583 40.800 0.007 0.000 1.097 321 D HN 0.310 nan 8.370 nan 0.000 0.489 322 P HA 0.083 nan 4.420 nan 0.000 0.255 322 P C 0.236 177.358 177.300 -0.296 0.000 1.248 322 P CA -0.080 62.927 63.100 -0.156 0.000 0.807 322 P CB 0.435 32.051 31.700 -0.141 0.000 1.150 323 R N 0.346 120.735 120.500 -0.185 0.000 2.694 323 R HA 0.204 4.546 4.340 0.003 0.000 0.268 323 R C 0.579 176.765 176.300 -0.191 0.000 1.061 323 R CA -0.533 55.464 56.100 -0.173 0.000 1.133 323 R CB 0.355 30.608 30.300 -0.079 0.000 1.020 323 R HN 0.018 nan 8.270 nan 0.000 0.475 324 I N 2.358 122.823 120.570 -0.175 0.000 2.471 324 I HA 0.045 4.217 4.170 0.003 0.000 0.286 324 I C 0.828 176.908 176.117 -0.061 0.000 1.079 324 I CA 0.038 61.237 61.300 -0.168 0.000 1.398 324 I CB 0.600 38.548 38.000 -0.086 0.000 1.403 324 I HN 0.670 nan 8.210 nan 0.000 0.530 325 A N 6.161 128.946 122.820 -0.059 0.000 2.425 325 A HA 0.110 4.432 4.320 0.003 0.000 0.249 325 A C 1.370 179.006 177.584 0.087 0.000 1.084 325 A CA -0.319 51.729 52.037 0.018 0.000 0.781 325 A CB 0.114 19.115 19.000 0.001 0.000 1.019 325 A HN 0.813 nan 8.150 nan 0.000 0.490 326 N N 1.391 120.150 118.700 0.098 0.000 2.149 326 N HA -0.155 4.587 4.740 0.003 0.000 0.188 326 N C 1.642 177.209 175.510 0.095 0.000 1.019 326 N CA 1.744 54.886 53.050 0.153 0.000 0.857 326 N CB -0.077 38.526 38.487 0.193 0.000 0.997 326 N HN 0.496 nan 8.380 nan 0.000 0.426 327 V N 0.590 120.489 119.914 -0.026 0.000 2.490 327 V HA -0.178 3.944 4.120 0.003 0.000 0.250 327 V C 2.029 178.030 176.094 -0.154 0.000 1.061 327 V CA 1.375 63.517 62.300 -0.263 0.000 1.064 327 V CB -0.751 30.515 31.823 -0.928 0.000 0.670 327 V HN 0.270 nan 8.190 nan 0.000 0.461 328 F N 1.848 121.696 119.950 -0.169 0.000 2.171 328 F HA -0.182 4.347 4.527 0.003 0.000 0.300 328 F C 2.614 178.416 175.800 0.004 0.000 1.090 328 F CA 2.275 60.223 58.000 -0.088 0.000 1.293 328 F CB -0.701 38.225 39.000 -0.123 0.000 1.013 328 F HN 0.402 nan 8.300 nan 0.000 0.486 329 T N -2.247 112.305 114.554 -0.004 0.000 2.833 329 T HA -0.224 4.128 4.350 0.003 0.000 0.269 329 T C 1.962 176.597 174.700 -0.108 0.000 1.054 329 T CA 1.696 63.765 62.100 -0.052 0.000 1.135 329 T CB -0.708 68.183 68.868 0.039 0.000 0.869 329 T HN 0.458 nan 8.240 nan 0.000 0.466 330 N N 0.628 119.262 118.700 -0.110 0.000 2.402 330 N HA 0.183 4.925 4.740 0.003 0.000 0.174 330 N C 2.170 177.691 175.510 0.018 0.000 1.027 330 N CA 0.784 53.798 53.050 -0.061 0.000 0.891 330 N CB -0.028 38.422 38.487 -0.061 0.000 1.016 330 N HN 0.534 nan 8.380 nan 0.000 0.439 331 A N 0.328 123.106 122.820 -0.071 0.000 1.897 331 A HA -0.057 4.265 4.320 0.003 0.000 0.215 331 A C 1.590 179.186 177.584 0.021 0.000 1.181 331 A CA 0.626 52.640 52.037 -0.037 0.000 0.620 331 A CB -0.772 18.167 19.000 -0.100 0.000 0.821 331 A HN 0.328 nan 8.150 nan 0.000 0.443 332 F N 0.829 120.566 119.950 -0.356 0.000 2.771 332 F HA 0.085 4.614 4.527 0.003 0.000 0.299 332 F C 1.715 177.435 175.800 -0.133 0.000 1.177 332 F CA 0.331 58.165 58.000 -0.277 0.000 1.450 332 F CB -0.124 38.352 39.000 -0.874 0.000 1.114 332 F HN 0.118 nan 8.300 nan 0.000 0.587 333 R N -0.596 119.839 120.500 -0.107 0.000 2.346 333 R HA -0.093 4.249 4.340 0.003 0.000 0.225 333 R C 1.566 177.807 176.300 -0.098 0.000 0.987 333 R CA 0.351 56.248 56.100 -0.339 0.000 1.106 333 R CB -0.651 29.512 30.300 -0.229 0.000 1.090 333 R HN 0.575 nan 8.270 nan 0.000 0.502 334 Y N -1.678 118.527 120.300 -0.157 0.000 2.333 334 Y HA 0.026 4.578 4.550 0.003 0.000 0.290 334 Y C 1.948 177.770 175.900 -0.129 0.000 1.144 334 Y CA 1.027 59.037 58.100 -0.150 0.000 1.228 334 Y CB -0.665 37.651 38.460 -0.239 0.000 0.985 334 Y HN -0.074 nan 8.280 nan 0.000 0.542 335 G N -0.296 107.771 108.800 -1.222 0.000 2.509 335 G HA2 -0.221 3.741 3.960 0.003 0.000 0.218 335 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 335 G C 0.997 175.734 174.900 -0.272 0.000 1.124 335 G CA 0.814 45.353 45.100 -0.936 0.000 0.776 335 G HN 0.725 nan 8.290 nan 0.000 0.547 336 H N 0.025 119.028 119.070 -0.110 0.000 2.518 336 H HA -0.052 4.506 4.556 0.003 0.000 0.289 336 H C 2.675 178.054 175.328 0.084 0.000 1.051 336 H CA 1.126 57.187 56.048 0.020 0.000 1.280 336 H CB 0.303 30.109 29.762 0.074 0.000 1.380 336 H HN 0.494 nan 8.280 nan 0.000 0.566 337 T N -1.645 113.012 114.554 0.173 0.000 3.081 337 T HA 0.059 4.411 4.350 0.003 0.000 0.255 337 T C 1.543 176.279 174.700 0.061 0.000 1.113 337 T CA 0.147 62.320 62.100 0.121 0.000 1.082 337 T CB -0.021 68.890 68.868 0.071 0.000 0.939 337 T HN 0.254 nan 8.240 nan 0.000 0.506 338 L N 0.187 121.420 121.223 0.018 0.000 2.585 338 L HA 0.470 4.812 4.340 0.003 0.000 0.226 338 L C 0.568 177.466 176.870 0.047 0.000 1.113 338 L CA -0.201 54.649 54.840 0.017 0.000 0.876 338 L CB -0.102 41.936 42.059 -0.035 0.000 1.072 338 L HN 0.226 nan 8.230 nan 0.000 0.468 339 I N 0.995 121.602 120.570 0.061 0.000 2.533 339 I HA -0.002 4.170 4.170 0.003 0.000 0.284 339 I C 0.468 176.637 176.117 0.087 0.000 1.109 339 I CA 0.084 61.430 61.300 0.077 0.000 1.412 339 I CB 0.381 38.427 38.000 0.076 0.000 1.396 339 I HN 0.159 nan 8.210 nan 0.000 0.543 340 Q N 8.570 128.444 119.800 0.124 0.000 2.299 340 Q HA 0.204 4.546 4.340 0.003 0.000 0.246 340 Q C -1.505 174.544 176.000 0.082 0.000 0.935 340 Q CA -1.574 54.334 55.803 0.176 0.000 0.887 340 Q CB 1.159 30.110 28.738 0.356 0.000 1.223 340 Q HN 0.417 nan 8.270 nan 0.000 0.439 341 P HA -0.028 nan 4.420 nan 0.000 0.234 341 P C -0.423 176.481 177.300 -0.659 0.000 1.167 341 P CA 0.971 63.870 63.100 -0.335 0.000 0.763 341 P CB 0.258 31.692 31.700 -0.445 0.000 0.835 342 F N -0.904 118.969 119.950 -0.129 0.000 2.577 342 F HA 0.484 5.013 4.527 0.004 0.000 0.318 342 F C 0.657 176.180 175.800 -0.461 0.000 1.065 342 F CA -1.461 56.283 58.000 -0.426 0.000 0.929 342 F CB 1.702 40.217 39.000 -0.809 0.000 1.237 342 F HN -0.353 nan 8.300 nan 0.000 0.468 343 M N 3.145 122.593 119.600 -0.254 0.000 2.113 343 M HA 0.480 4.962 4.480 0.003 0.000 0.352 343 M C -1.893 174.232 176.300 -0.290 0.000 1.170 343 M CA -0.320 54.876 55.300 -0.174 0.000 1.053 343 M CB 0.510 33.029 32.600 -0.136 0.000 1.601 343 M HN 0.519 nan 8.290 nan 0.000 0.459 344 F N 4.572 124.536 119.950 0.024 0.000 2.415 344 F HA 0.545 5.074 4.527 0.003 0.000 0.348 344 F C 0.054 175.834 175.800 -0.034 0.000 1.119 344 F CA -0.474 57.525 58.000 -0.002 0.000 1.069 344 F CB 1.190 40.200 39.000 0.017 0.000 1.124 344 F HN 0.490 nan 8.300 nan 0.000 0.472 345 R N 4.167 124.716 120.500 0.081 0.000 2.621 345 R HA 0.789 5.131 4.340 0.003 0.000 0.292 345 R C -1.506 174.773 176.300 -0.035 0.000 0.969 345 R CA -0.919 55.178 56.100 -0.005 0.000 0.887 345 R CB 2.320 32.587 30.300 -0.055 0.000 1.180 345 R HN 0.607 nan 8.270 nan 0.000 0.450 346 L N 1.727 122.887 121.223 -0.106 0.000 2.388 346 L HA 0.414 4.756 4.340 0.003 0.000 0.264 346 L C -0.273 176.446 176.870 -0.252 0.000 0.998 346 L CA -1.222 53.512 54.840 -0.177 0.000 0.817 346 L CB 2.020 43.939 42.059 -0.235 0.000 1.338 346 L HN 0.658 nan 8.230 nan 0.000 0.414 347 D N 0.267 120.531 120.400 -0.227 0.000 2.414 347 D HA -0.019 4.623 4.640 0.003 0.000 0.259 347 D C 0.872 176.980 176.300 -0.320 0.000 1.269 347 D CA -0.442 53.429 54.000 -0.216 0.000 1.028 347 D CB 0.210 40.929 40.800 -0.135 0.000 1.093 347 D HN 0.602 nan 8.370 nan 0.000 0.545 348 N N 0.139 118.703 118.700 -0.225 0.000 2.443 348 N HA -0.249 4.493 4.740 0.003 0.000 0.184 348 N C 1.089 176.505 175.510 -0.157 0.000 1.037 348 N CA 0.908 53.832 53.050 -0.210 0.000 0.896 348 N CB -0.500 37.925 38.487 -0.102 0.000 0.959 348 N HN 0.680 nan 8.380 nan 0.000 0.442 349 R N -1.913 118.507 120.500 -0.134 0.000 2.388 349 R HA 0.121 4.463 4.340 0.003 0.000 0.247 349 R C -0.458 175.757 176.300 -0.141 0.000 0.931 349 R CA -0.590 55.476 56.100 -0.056 0.000 1.082 349 R CB -0.810 29.480 30.300 -0.016 0.000 1.135 349 R HN -0.068 nan 8.270 nan 0.000 0.525 350 Y N 0.664 120.702 120.300 -0.437 0.000 3.389 350 Y HA -0.252 4.300 4.550 0.003 0.000 0.213 350 Y C -0.496 175.180 175.900 -0.373 0.000 1.272 350 Y CA 0.682 58.425 58.100 -0.597 0.000 1.444 350 Y CB -1.488 36.142 38.460 -1.383 0.000 1.445 350 Y HN 0.399 nan 8.280 nan 0.000 0.583 351 Q N -0.187 119.524 119.800 -0.148 0.000 2.345 351 Q HA 0.451 4.793 4.340 0.003 0.000 0.268 351 Q C -2.395 173.561 176.000 -0.074 0.000 1.054 351 Q CA -2.448 53.308 55.803 -0.078 0.000 0.835 351 Q CB 1.503 30.211 28.738 -0.050 0.000 1.339 351 Q HN -0.114 nan 8.270 nan 0.000 0.447 352 P HA -0.065 nan 4.420 nan 0.000 0.255 352 P C -0.285 176.988 177.300 -0.045 0.000 1.173 352 P CA 0.680 63.762 63.100 -0.029 0.000 0.780 352 P CB 0.078 31.769 31.700 -0.015 0.000 0.758 353 M N 3.967 123.533 119.600 -0.056 0.000 2.217 353 M HA 0.058 4.540 4.480 0.003 0.000 0.352 353 M C 0.482 176.754 176.300 -0.047 0.000 1.376 353 M CA 0.128 55.392 55.300 -0.060 0.000 1.107 353 M CB 0.387 32.942 32.600 -0.075 0.000 1.723 353 M HN 0.221 nan 8.290 nan 0.000 0.461 354 E N 5.771 125.948 120.200 -0.038 0.000 2.318 354 E HA 0.288 4.640 4.350 0.003 0.000 0.265 354 E C -1.784 174.803 176.600 -0.022 0.000 1.069 354 E CA -1.528 54.855 56.400 -0.029 0.000 0.893 354 E CB 0.329 30.016 29.700 -0.022 0.000 1.076 354 E HN 0.537 nan 8.360 nan 0.000 0.414 355 P HA 0.187 nan 4.420 nan 0.000 0.261 355 P C -0.431 176.857 177.300 -0.020 0.000 1.268 355 P CA 0.106 63.198 63.100 -0.013 0.000 0.833 355 P CB 0.472 32.171 31.700 -0.000 0.000 1.231 356 N N 1.243 119.926 118.700 -0.029 0.000 2.904 356 N HA 0.176 4.918 4.740 0.003 0.000 0.257 356 N C -1.967 173.501 175.510 -0.070 0.000 1.363 356 N CA -1.455 51.569 53.050 -0.044 0.000 0.856 356 N CB 1.242 39.710 38.487 -0.032 0.000 1.166 356 N HN 0.114 nan 8.380 nan 0.000 0.499 357 P HA 0.060 nan 4.420 nan 0.000 0.228 357 P C 0.084 177.296 177.300 -0.148 0.000 1.166 357 P CA 0.483 63.536 63.100 -0.079 0.000 0.812 357 P CB 1.009 32.679 31.700 -0.051 0.000 0.857 358 R N 0.475 120.843 120.500 -0.220 0.000 2.494 358 R HA 0.384 4.726 4.340 0.003 0.000 0.284 358 R C -1.209 174.964 176.300 -0.211 0.000 1.525 358 R CA -0.330 55.512 56.100 -0.430 0.000 1.460 358 R CB 0.551 30.481 30.300 -0.617 0.000 1.134 358 R HN -0.176 nan 8.270 nan 0.000 0.592 359 V N 4.484 124.332 119.914 -0.110 0.000 2.432 359 V HA 0.313 4.435 4.120 0.003 0.000 0.275 359 V C -1.970 174.180 176.094 0.093 0.000 1.043 359 V CA -2.200 60.100 62.300 0.000 0.000 0.925 359 V CB 1.235 33.008 31.823 -0.084 0.000 0.985 359 V HN 0.543 nan 8.190 nan 0.000 0.466 360 P HA 0.016 nan 4.420 nan 0.000 0.265 360 P C 0.650 177.779 177.300 -0.285 0.000 1.187 360 P CA -0.043 62.945 63.100 -0.186 0.000 0.766 360 P CB 0.633 32.263 31.700 -0.117 0.000 0.820 361 L N 3.538 124.506 121.223 -0.425 0.000 2.201 361 L HA -0.150 4.192 4.340 0.003 0.000 0.212 361 L C 2.056 178.380 176.870 -0.910 0.000 1.105 361 L CA 1.866 56.356 54.840 -0.584 0.000 0.775 361 L CB -0.962 40.812 42.059 -0.474 0.000 0.913 361 L HN 0.372 nan 8.230 nan 0.000 0.440 362 S N -1.258 114.168 115.700 -0.457 0.000 2.507 362 S HA -0.132 4.340 4.470 0.003 0.000 0.235 362 S C 1.779 176.325 174.600 -0.091 0.000 0.988 362 S CA 0.687 58.781 58.200 -0.177 0.000 0.944 362 S CB -0.373 62.830 63.200 0.005 0.000 0.762 362 S HN 0.508 nan 8.310 nan 0.000 0.526 363 R N 0.427 120.828 120.500 -0.165 0.000 2.509 363 R HA 0.287 4.629 4.340 0.003 0.000 0.300 363 R C 1.310 177.589 176.300 -0.035 0.000 0.985 363 R CA 0.501 56.593 56.100 -0.013 0.000 1.092 363 R CB 0.876 31.194 30.300 0.031 0.000 1.237 363 R HN 0.486 nan 8.270 nan 0.000 0.546 364 V N -3.080 116.697 119.914 -0.227 0.000 3.635 364 V HA 0.337 4.459 4.120 0.003 0.000 0.266 364 V C 0.515 176.575 176.094 -0.056 0.000 1.316 364 V CA -0.100 62.084 62.300 -0.194 0.000 1.060 364 V CB -0.261 31.401 31.823 -0.269 0.000 0.820 364 V HN -0.053 nan 8.190 nan 0.000 0.447 365 F N 1.618 121.654 119.950 0.142 0.000 2.571 365 F HA 0.376 4.906 4.527 0.004 0.000 0.384 365 F C 1.004 177.006 175.800 0.337 0.000 1.058 365 F CA 0.258 58.403 58.000 0.241 0.000 1.200 365 F CB -0.217 39.076 39.000 0.488 0.000 1.077 365 F HN 0.103 nan 8.300 nan 0.000 0.558 366 F N 0.709 120.850 119.950 0.318 0.000 3.021 366 F HA -0.319 4.210 4.527 0.003 0.000 0.294 366 F C 1.232 177.142 175.800 0.182 0.000 0.761 366 F CA 0.374 58.483 58.000 0.181 0.000 1.102 366 F CB -1.722 37.334 39.000 0.092 0.000 1.380 366 F HN 0.519 nan 8.300 nan 0.000 0.387 367 A N 0.702 123.686 122.820 0.273 0.000 2.981 367 A HA 0.451 4.773 4.320 0.003 0.000 0.280 367 A C 1.435 179.019 177.584 0.001 0.000 1.743 367 A CA 0.402 52.543 52.037 0.173 0.000 1.430 367 A CB -0.412 18.576 19.000 -0.019 0.000 1.085 367 A HN 0.517 nan 8.150 nan 0.000 0.597 368 S N 1.465 117.281 115.700 0.194 0.000 2.453 368 S HA -0.140 4.332 4.470 0.003 0.000 0.231 368 S C 1.640 176.347 174.600 0.177 0.000 1.005 368 S CA 0.759 59.105 58.200 0.243 0.000 0.949 368 S CB -0.564 62.742 63.200 0.177 0.000 0.774 368 S HN 0.987 nan 8.310 nan 0.000 0.510 369 W N 2.339 123.670 121.300 0.052 0.000 2.425 369 W HA 0.079 4.741 4.660 0.003 0.000 0.277 369 W C 1.599 178.122 176.519 0.008 0.000 1.231 369 W CA 0.450 57.790 57.345 -0.008 0.000 1.248 369 W CB -0.824 28.612 29.460 -0.041 0.000 1.117 369 W HN 0.285 nan 8.180 nan 0.000 0.568 370 R N 0.846 120.842 120.500 -0.840 0.000 2.148 370 R HA -0.066 4.276 4.340 0.003 0.000 0.227 370 R C 2.289 178.407 176.300 -0.304 0.000 1.103 370 R CA 1.536 57.157 56.100 -0.798 0.000 0.983 370 R CB -0.346 29.408 30.300 -0.910 0.000 0.874 370 R HN 0.130 nan 8.270 nan 0.000 0.451 371 V N 0.004 119.831 119.914 -0.145 0.000 2.346 371 V HA -0.150 3.972 4.120 0.003 0.000 0.244 371 V C 2.265 178.364 176.094 0.007 0.000 1.037 371 V CA 1.294 63.569 62.300 -0.042 0.000 1.029 371 V CB -0.191 31.644 31.823 0.019 0.000 0.663 371 V HN 0.057 nan 8.190 nan 0.000 0.454 372 V N -0.185 119.767 119.914 0.063 0.000 2.307 372 V HA -0.181 3.941 4.120 0.003 0.000 0.245 372 V C 2.144 178.217 176.094 -0.035 0.000 1.045 372 V CA 2.003 64.307 62.300 0.007 0.000 1.024 372 V CB -0.409 31.352 31.823 -0.103 0.000 0.651 372 V HN 0.407 nan 8.190 nan 0.000 0.449 373 L N -1.113 120.110 121.223 0.000 0.000 2.286 373 L HA 0.157 4.499 4.340 0.003 0.000 0.203 373 L C 1.298 178.196 176.870 0.046 0.000 1.068 373 L CA 0.640 55.509 54.840 0.048 0.000 0.811 373 L CB -0.085 42.067 42.059 0.156 0.000 0.989 373 L HN 0.206 nan 8.230 nan 0.000 0.467 374 E N 0.627 120.826 120.200 -0.003 0.000 2.280 374 E HA 0.281 4.633 4.350 0.003 0.000 0.279 374 E C 0.618 177.184 176.600 -0.056 0.000 1.325 374 E CA 0.377 56.755 56.400 -0.036 0.000 1.486 374 E CB 0.191 29.824 29.700 -0.111 0.000 1.466 374 E HN 0.424 nan 8.360 nan 0.000 0.473 375 G N 0.797 109.581 108.800 -0.027 0.000 4.492 375 G HA2 -0.188 3.775 3.960 0.003 0.000 0.265 375 G HA3 -0.188 3.775 3.960 0.003 0.000 0.265 375 G C 0.498 175.380 174.900 -0.030 0.000 1.702 375 G CA -0.321 44.759 45.100 -0.033 0.000 1.266 375 G HN 0.862 nan 8.290 nan 0.000 0.643 376 G N -1.210 107.562 108.800 -0.048 0.000 2.368 376 G HA2 0.512 4.474 3.960 0.003 0.000 0.269 376 G HA3 0.512 4.474 3.960 0.003 0.000 0.269 376 G C 0.747 175.608 174.900 -0.064 0.000 1.291 376 G CA 0.466 45.539 45.100 -0.044 0.000 0.903 376 G HN 1.773 nan 8.290 nan 0.000 0.483 377 I N -1.836 118.695 120.570 -0.065 0.000 3.226 377 I HA 0.279 4.451 4.170 0.003 0.000 0.277 377 I C 1.430 177.509 176.117 -0.063 0.000 1.243 377 I CA 1.327 62.584 61.300 -0.071 0.000 1.459 377 I CB -0.049 37.904 38.000 -0.079 0.000 1.093 377 I HN 0.209 nan 8.210 nan 0.000 0.453 378 D N 2.620 122.981 120.400 -0.065 0.000 2.097 378 D HA -0.076 4.566 4.640 0.003 0.000 0.195 378 D C -0.420 175.815 176.300 -0.109 0.000 0.989 378 D CA 1.643 55.596 54.000 -0.078 0.000 0.827 378 D CB -1.530 39.224 40.800 -0.077 0.000 0.966 378 D HN 0.347 nan 8.370 nan 0.000 0.456 379 P HA -0.022 nan 4.420 nan 0.000 0.219 379 P C 1.393 178.637 177.300 -0.093 0.000 1.150 379 P CA 0.814 63.838 63.100 -0.128 0.000 0.814 379 P CB 0.068 31.703 31.700 -0.107 0.000 0.787 380 I N -1.442 119.088 120.570 -0.066 0.000 2.286 380 I HA -0.183 3.989 4.170 0.003 0.000 0.245 380 I C 2.264 178.379 176.117 -0.002 0.000 1.104 380 I CA 1.209 62.491 61.300 -0.031 0.000 1.397 380 I CB -0.659 37.317 38.000 -0.041 0.000 1.072 380 I HN -0.130 nan 8.210 nan 0.000 0.417 381 L N 0.230 121.444 121.223 -0.015 0.000 2.093 381 L HA -0.143 4.199 4.340 0.003 0.000 0.208 381 L C 2.728 179.625 176.870 0.045 0.000 1.085 381 L CA 1.241 56.091 54.840 0.016 0.000 0.755 381 L CB -0.477 41.584 42.059 0.004 0.000 0.904 381 L HN 0.150 nan 8.230 nan 0.000 0.435 382 R N -0.305 120.175 120.500 -0.033 0.000 2.148 382 R HA -0.088 4.254 4.340 0.003 0.000 0.227 382 R C 2.307 178.628 176.300 0.035 0.000 1.103 382 R CA 1.071 57.120 56.100 -0.086 0.000 0.983 382 R CB -0.466 29.513 30.300 -0.536 0.000 0.874 382 R HN 0.426 nan 8.270 nan 0.000 0.451 383 G N 0.939 109.754 108.800 0.026 0.000 2.394 383 G HA2 -0.193 3.769 3.960 0.003 0.000 0.214 383 G HA3 -0.193 3.769 3.960 0.003 0.000 0.214 383 G C 1.402 176.381 174.900 0.131 0.000 1.176 383 G CA 0.203 45.362 45.100 0.097 0.000 0.786 383 G HN 0.121 nan 8.290 nan 0.000 0.533 384 L N -0.133 121.167 121.223 0.129 0.000 2.131 384 L HA -0.011 4.331 4.340 0.003 0.000 0.210 384 L C 3.004 179.965 176.870 0.153 0.000 1.092 384 L CA 0.840 55.760 54.840 0.133 0.000 0.759 384 L CB -0.255 41.875 42.059 0.117 0.000 0.903 384 L HN 0.233 nan 8.230 nan 0.000 0.435 385 M N -1.191 118.535 119.600 0.210 0.000 2.236 385 M HA -0.037 4.446 4.480 0.003 0.000 0.266 385 M C 1.917 178.461 176.300 0.407 0.000 1.070 385 M CA 1.411 56.882 55.300 0.285 0.000 1.137 385 M CB -0.100 32.752 32.600 0.419 0.000 1.378 385 M HN 0.255 nan 8.290 nan 0.000 0.426 386 A N -0.505 122.555 122.820 0.400 0.000 2.430 386 A HA 0.207 4.529 4.320 0.003 0.000 0.243 386 A C 0.319 177.976 177.584 0.121 0.000 1.254 386 A CA -0.011 52.235 52.037 0.349 0.000 0.914 386 A CB -0.043 19.106 19.000 0.247 0.000 0.998 386 A HN 0.249 nan 8.150 nan 0.000 0.515 387 T N 2.497 117.069 114.554 0.031 0.000 2.779 387 T HA 0.510 4.862 4.350 0.003 0.000 0.280 387 T C -2.898 171.748 174.700 -0.090 0.000 0.987 387 T CA -1.151 60.852 62.100 -0.161 0.000 0.966 387 T CB 1.576 70.182 68.868 -0.436 0.000 0.933 387 T HN 0.019 nan 8.240 nan 0.000 0.442 388 P HA 0.348 nan 4.420 nan 0.000 0.268 388 P C -0.494 176.791 177.300 -0.025 0.000 1.205 388 P CA -0.341 62.739 63.100 -0.034 0.000 0.771 388 P CB 0.364 32.045 31.700 -0.032 0.000 0.858 389 A N 2.875 125.710 122.820 0.026 0.000 2.296 389 A HA 0.256 4.578 4.320 0.003 0.000 0.264 389 A C 0.332 177.945 177.584 0.048 0.000 1.097 389 A CA -0.401 51.666 52.037 0.049 0.000 0.811 389 A CB 0.070 19.108 19.000 0.064 0.000 1.072 389 A HN 0.528 nan 8.150 nan 0.000 0.495 390 K N 0.038 120.476 120.400 0.063 0.000 2.298 390 K HA 0.338 4.660 4.320 0.003 0.000 0.280 390 K C -0.928 175.701 176.600 0.048 0.000 1.032 390 K CA -0.378 55.946 56.287 0.061 0.000 0.958 390 K CB 0.365 32.908 32.500 0.072 0.000 0.978 390 K HN 0.506 nan 8.250 nan 0.000 0.472 391 L N 4.369 125.617 121.223 0.042 0.000 2.305 391 L HA 0.215 4.557 4.340 0.003 0.000 0.281 391 L C -0.441 176.448 176.870 0.031 0.000 1.085 391 L CA -0.153 54.707 54.840 0.033 0.000 0.813 391 L CB 0.825 42.900 42.059 0.026 0.000 1.157 391 L HN 0.616 nan 8.230 nan 0.000 0.436 392 N N 4.998 123.714 118.700 0.026 0.000 2.406 392 N HA 0.194 4.936 4.740 0.003 0.000 0.265 392 N C -0.913 174.598 175.510 0.001 0.000 1.203 392 N CA 0.247 53.306 53.050 0.014 0.000 0.945 392 N CB 0.134 38.627 38.487 0.009 0.000 1.165 392 N HN 0.583 nan 8.380 nan 0.000 0.485 393 R N 2.419 122.921 120.500 0.003 0.000 2.778 393 R HA 0.219 4.561 4.340 0.003 0.000 0.277 393 R C 0.870 177.165 176.300 -0.009 0.000 0.977 393 R CA -0.712 55.387 56.100 -0.001 0.000 0.950 393 R CB 1.373 31.678 30.300 0.008 0.000 1.165 393 R HN 0.571 nan 8.270 nan 0.000 0.474 394 Q N 0.838 120.630 119.800 -0.014 0.000 2.226 394 Q HA -0.149 4.193 4.340 0.003 0.000 0.204 394 Q C 0.922 176.917 176.000 -0.009 0.000 0.975 394 Q CA 1.473 57.263 55.803 -0.021 0.000 0.866 394 Q CB 0.076 28.802 28.738 -0.021 0.000 0.915 394 Q HN 0.498 nan 8.270 nan 0.000 0.440 395 N N -0.719 117.981 118.700 0.001 0.000 2.230 395 N HA -0.032 4.710 4.740 0.003 0.000 0.202 395 N C -0.378 175.142 175.510 0.017 0.000 1.119 395 N CA 0.116 53.171 53.050 0.009 0.000 0.851 395 N CB 0.571 39.064 38.487 0.009 0.000 0.990 395 N HN 0.126 nan 8.380 nan 0.000 0.497 396 Q N 0.454 120.265 119.800 0.018 0.000 3.230 396 Q HA 0.389 4.731 4.340 0.003 0.000 0.303 396 Q C 0.267 176.288 176.000 0.034 0.000 0.884 396 Q CA -0.157 55.664 55.803 0.029 0.000 0.859 396 Q CB 0.854 29.610 28.738 0.029 0.000 1.432 396 Q HN 0.155 nan 8.270 nan 0.000 0.403 397 I N 0.229 120.825 120.570 0.043 0.000 2.188 397 I HA 0.040 4.212 4.170 0.003 0.000 0.237 397 I C 0.838 177.018 176.117 0.106 0.000 1.073 397 I CA 0.723 62.056 61.300 0.055 0.000 1.359 397 I CB 0.339 38.371 38.000 0.053 0.000 1.083 397 I HN 0.315 nan 8.210 nan 0.000 0.412 398 A N 0.175 123.071 122.820 0.127 0.000 2.455 398 A HA 0.584 4.906 4.320 0.003 0.000 0.300 398 A C -0.527 177.098 177.584 0.068 0.000 1.040 398 A CA -0.647 51.465 52.037 0.126 0.000 0.697 398 A CB 1.024 20.141 19.000 0.196 0.000 1.265 398 A HN 0.053 nan 8.150 nan 0.000 0.407 399 V N 0.086 120.026 119.914 0.044 0.000 3.139 399 V HA 0.202 4.324 4.120 0.003 0.000 0.307 399 V C 0.560 176.647 176.094 -0.011 0.000 1.095 399 V CA 0.306 62.612 62.300 0.011 0.000 1.160 399 V CB 0.439 32.257 31.823 -0.009 0.000 1.003 399 V HN 0.787 nan 8.190 nan 0.000 0.489 400 D N 0.741 121.126 120.400 -0.025 0.000 2.371 400 D HA -0.038 4.604 4.640 0.003 0.000 0.221 400 D C 1.883 178.156 176.300 -0.045 0.000 0.986 400 D CA 0.677 54.657 54.000 -0.032 0.000 0.899 400 D CB 0.194 40.978 40.800 -0.027 0.000 0.902 400 D HN 0.721 nan 8.370 nan 0.000 0.530 401 E N 0.163 120.325 120.200 -0.064 0.000 2.204 401 E HA -0.084 4.268 4.350 0.003 0.000 0.194 401 E C 2.136 178.755 176.600 0.031 0.000 0.989 401 E CA 0.528 56.894 56.400 -0.057 0.000 0.824 401 E CB 0.258 29.870 29.700 -0.148 0.000 0.756 401 E HN 0.554 nan 8.360 nan 0.000 0.477 402 I N -3.441 117.122 120.570 -0.013 0.000 4.181 402 I HA 0.231 4.403 4.170 0.003 0.000 0.331 402 I C 2.189 178.219 176.117 -0.145 0.000 1.312 402 I CA -0.104 61.142 61.300 -0.090 0.000 1.146 402 I CB 0.225 38.147 38.000 -0.129 0.000 1.074 402 I HN -0.200 nan 8.210 nan 0.000 0.402 403 R N 0.977 121.425 120.500 -0.086 0.000 2.223 403 R HA 0.121 4.463 4.340 0.003 0.000 0.198 403 R C 1.386 177.644 176.300 -0.070 0.000 0.984 403 R CA 0.742 56.794 56.100 -0.080 0.000 1.018 403 R CB 0.415 30.691 30.300 -0.039 0.000 0.945 403 R HN 0.366 nan 8.270 nan 0.000 0.479 404 E N -0.832 119.336 120.200 -0.054 0.000 2.441 404 E HA 0.107 4.459 4.350 0.003 0.000 0.212 404 E C 0.480 177.064 176.600 -0.027 0.000 0.840 404 E CA 0.212 56.589 56.400 -0.039 0.000 1.143 404 E CB 0.898 30.582 29.700 -0.026 0.000 1.153 404 E HN 0.109 nan 8.360 nan 0.000 0.539 405 R N 0.852 121.344 120.500 -0.015 0.000 2.690 405 R HA 0.263 4.605 4.340 0.003 0.000 0.419 405 R C -0.205 176.146 176.300 0.084 0.000 1.090 405 R CA -0.287 55.834 56.100 0.035 0.000 1.064 405 R CB 0.599 30.924 30.300 0.042 0.000 1.391 405 R HN -0.103 nan 8.270 nan 0.000 0.586 406 L N 1.245 122.416 121.223 -0.086 0.000 2.418 406 L HA 0.168 4.510 4.340 0.003 0.000 0.274 406 L C -0.001 176.672 176.870 -0.327 0.000 1.135 406 L CA 0.772 55.351 54.840 -0.436 0.000 0.870 406 L CB -0.347 41.295 42.059 -0.696 0.000 1.154 406 L HN 0.413 nan 8.230 nan 0.000 0.462 407 F N 2.521 122.401 119.950 -0.116 0.000 3.090 407 F HA -0.327 4.202 4.527 0.003 0.000 0.282 407 F C 1.571 177.442 175.800 0.119 0.000 0.923 407 F CA 0.988 59.034 58.000 0.077 0.000 0.977 407 F CB -1.225 37.776 39.000 0.002 0.000 0.954 407 F HN 0.715 nan 8.300 nan 0.000 0.695 408 E N 0.410 120.787 120.200 0.294 0.000 2.204 408 E HA -0.218 4.134 4.350 0.003 0.000 0.195 408 E C 1.905 178.601 176.600 0.160 0.000 0.990 408 E CA 1.502 58.008 56.400 0.178 0.000 0.821 408 E CB 0.053 29.836 29.700 0.137 0.000 0.750 408 E HN 0.707 nan 8.360 nan 0.000 0.477 409 Q N -0.551 119.373 119.800 0.207 0.000 2.269 409 Q HA -0.059 4.283 4.340 0.003 0.000 0.201 409 Q C 2.033 178.096 176.000 0.106 0.000 0.946 409 Q CA 1.261 57.155 55.803 0.151 0.000 0.877 409 Q CB 0.657 29.505 28.738 0.182 0.000 0.963 409 Q HN 0.313 nan 8.270 nan 0.000 0.472 410 V N -3.316 116.668 119.914 0.116 0.000 3.578 410 V HA 0.273 4.395 4.120 0.003 0.000 0.290 410 V C 0.494 176.579 176.094 -0.015 0.000 1.376 410 V CA -0.077 62.224 62.300 0.002 0.000 1.083 410 V CB 0.195 31.940 31.823 -0.131 0.000 0.911 410 V HN 0.031 nan 8.190 nan 0.000 0.433 411 M N 0.899 120.530 119.600 0.051 0.000 2.761 411 M HA 0.508 4.990 4.480 0.003 0.000 0.305 411 M C 1.348 177.672 176.300 0.040 0.000 1.235 411 M CA -0.541 54.787 55.300 0.046 0.000 0.850 411 M CB 2.106 34.762 32.600 0.094 0.000 1.744 411 M HN 0.187 nan 8.290 nan 0.000 0.480 412 R N 0.754 121.271 120.500 0.029 0.000 2.092 412 R HA 0.101 4.443 4.340 0.003 0.000 0.231 412 R C 0.550 176.864 176.300 0.023 0.000 1.119 412 R CA 1.181 57.292 56.100 0.019 0.000 0.970 412 R CB -0.527 29.779 30.300 0.010 0.000 0.864 412 R HN 0.685 nan 8.270 nan 0.000 0.440 413 I N -3.531 117.057 120.570 0.029 0.000 3.074 413 I HA 0.612 4.784 4.170 0.003 0.000 0.310 413 I C -0.279 175.861 176.117 0.039 0.000 1.153 413 I CA -1.619 59.696 61.300 0.026 0.000 0.993 413 I CB 2.116 40.121 38.000 0.008 0.000 1.237 413 I HN -0.030 nan 8.210 nan 0.000 0.443 414 G N 3.765 112.583 108.800 0.030 0.000 2.378 414 G HA2 0.493 4.455 3.960 0.003 0.000 0.255 414 G HA3 0.493 4.455 3.960 0.003 0.000 0.255 414 G C -0.373 174.519 174.900 -0.013 0.000 1.270 414 G CA -0.543 44.571 45.100 0.023 0.000 0.876 414 G HN 0.584 nan 8.290 nan 0.000 0.521 415 L N 1.340 122.537 121.223 -0.044 0.000 2.456 415 L HA 0.326 4.668 4.340 0.003 0.000 0.257 415 L C 0.150 176.944 176.870 -0.126 0.000 1.162 415 L CA -0.719 54.075 54.840 -0.075 0.000 0.808 415 L CB 1.120 43.133 42.059 -0.076 0.000 1.136 415 L HN 0.371 nan 8.230 nan 0.000 0.466 416 D N 1.256 121.583 120.400 -0.121 0.000 2.462 416 D HA 0.128 4.770 4.640 0.003 0.000 0.249 416 D C 0.548 176.734 176.300 -0.190 0.000 1.117 416 D CA -0.470 53.446 54.000 -0.140 0.000 0.900 416 D CB 1.393 42.129 40.800 -0.106 0.000 1.039 416 D HN 0.327 nan 8.370 nan 0.000 0.516 417 L N 6.270 127.335 121.223 -0.264 0.000 1.989 417 L HA -0.018 4.324 4.340 0.003 0.000 0.211 417 L C -1.040 175.591 176.870 -0.399 0.000 1.071 417 L CA 2.105 56.733 54.840 -0.354 0.000 0.749 417 L CB -1.093 40.666 42.059 -0.500 0.000 0.890 417 L HN 0.295 nan 8.230 nan 0.000 0.431 418 P HA -0.158 nan 4.420 nan 0.000 0.216 418 P C 1.487 178.538 177.300 -0.416 0.000 1.150 418 P CA 2.070 64.809 63.100 -0.602 0.000 0.837 418 P CB -0.208 31.342 31.700 -0.249 0.000 0.786 419 A N -0.857 121.826 122.820 -0.228 0.000 1.930 419 A HA -0.118 4.204 4.320 0.003 0.000 0.217 419 A C 2.188 179.662 177.584 -0.183 0.000 1.175 419 A CA 1.197 53.136 52.037 -0.163 0.000 0.627 419 A CB -1.594 17.328 19.000 -0.129 0.000 0.815 419 A HN 0.111 nan 8.150 nan 0.000 0.443 420 L N -0.144 120.976 121.223 -0.171 0.000 2.131 420 L HA -0.199 4.143 4.340 0.003 0.000 0.210 420 L C 2.209 179.038 176.870 -0.068 0.000 1.092 420 L CA 1.039 55.837 54.840 -0.070 0.000 0.759 420 L CB -0.581 41.477 42.059 -0.001 0.000 0.903 420 L HN 0.354 nan 8.230 nan 0.000 0.435 421 N N -0.076 118.486 118.700 -0.229 0.000 2.120 421 N HA -0.159 4.583 4.740 0.003 0.000 0.188 421 N C 1.857 177.286 175.510 -0.134 0.000 1.024 421 N CA 1.477 54.363 53.050 -0.274 0.000 0.852 421 N CB -0.218 37.821 38.487 -0.747 0.000 1.003 421 N HN 0.323 nan 8.380 nan 0.000 0.424 422 M N 0.026 119.557 119.600 -0.115 0.000 2.254 422 M HA -0.108 4.374 4.480 0.003 0.000 0.265 422 M C 2.108 178.407 176.300 -0.001 0.000 1.066 422 M CA 1.092 56.406 55.300 0.023 0.000 1.123 422 M CB -0.097 32.552 32.600 0.081 0.000 1.388 422 M HN 0.047 nan 8.290 nan 0.000 0.425 423 Q N 0.572 120.296 119.800 -0.127 0.000 2.079 423 Q HA -0.164 4.178 4.340 0.003 0.000 0.200 423 Q C 1.968 177.898 176.000 -0.117 0.000 0.974 423 Q CA 1.603 57.239 55.803 -0.277 0.000 0.840 423 Q CB -0.044 28.252 28.738 -0.738 0.000 0.898 423 Q HN 0.173 nan 8.270 nan 0.000 0.430 424 R N -0.077 120.457 120.500 0.057 0.000 2.096 424 R HA -0.088 4.254 4.340 0.003 0.000 0.235 424 R C 2.207 178.623 176.300 0.194 0.000 1.127 424 R CA 1.818 58.115 56.100 0.329 0.000 0.968 424 R CB -0.649 29.797 30.300 0.244 0.000 0.861 424 R HN 0.442 nan 8.270 nan 0.000 0.440 425 S N -0.269 115.491 115.700 0.101 0.000 2.399 425 S HA -0.148 4.324 4.470 0.003 0.000 0.231 425 S C 1.935 176.655 174.600 0.200 0.000 1.022 425 S CA 1.019 59.294 58.200 0.123 0.000 0.983 425 S CB -0.272 63.002 63.200 0.122 0.000 0.803 425 S HN 0.388 nan 8.310 nan 0.000 0.480 426 R N 1.092 121.712 120.500 0.200 0.000 2.090 426 R HA 0.038 4.380 4.340 0.003 0.000 0.228 426 R C 2.199 178.617 176.300 0.195 0.000 1.110 426 R CA 1.301 57.522 56.100 0.202 0.000 0.973 426 R CB -0.532 29.909 30.300 0.234 0.000 0.869 426 R HN 0.534 nan 8.270 nan 0.000 0.440 427 D N 0.349 120.922 120.400 0.289 0.000 2.117 427 D HA -0.181 4.461 4.640 0.003 0.000 0.197 427 D C 1.493 177.962 176.300 0.282 0.000 0.987 427 D CA 1.361 55.548 54.000 0.311 0.000 0.829 427 D CB -0.031 41.141 40.800 0.620 0.000 0.961 427 D HN 0.364 nan 8.370 nan 0.000 0.460 428 H N -1.197 117.969 119.070 0.161 0.000 2.555 428 H HA 0.155 4.713 4.556 0.003 0.000 0.269 428 H C 1.171 176.564 175.328 0.109 0.000 0.988 428 H CA 0.422 56.547 56.048 0.128 0.000 1.178 428 H CB 0.264 30.107 29.762 0.135 0.000 1.373 428 H HN 0.333 nan 8.280 nan 0.000 0.588 429 G N 1.439 110.364 108.800 0.207 0.000 2.221 429 G HA2 -0.280 3.682 3.960 0.003 0.000 0.265 429 G HA3 -0.280 3.682 3.960 0.003 0.000 0.265 429 G C 0.079 175.084 174.900 0.175 0.000 1.041 429 G CA -0.003 45.183 45.100 0.142 0.000 0.807 429 G HN 0.242 nan 8.290 nan 0.000 0.502 430 L N 0.425 121.790 121.223 0.237 0.000 2.380 430 L HA 0.353 4.695 4.340 0.003 0.000 0.273 430 L C -1.129 175.920 176.870 0.299 0.000 1.138 430 L CA -1.931 53.103 54.840 0.323 0.000 0.832 430 L CB 0.406 42.668 42.059 0.338 0.000 1.124 430 L HN -0.019 nan 8.230 nan 0.000 0.454 431 P HA 0.060 nan 4.420 nan 0.000 0.271 431 P C 0.164 177.598 177.300 0.223 0.000 1.238 431 P CA -0.273 62.870 63.100 0.072 0.000 0.794 431 P CB 0.439 31.939 31.700 -0.332 0.000 0.959 432 G N -0.754 108.115 108.800 0.114 0.000 2.588 432 G HA2 -0.009 3.953 3.960 0.003 0.000 0.278 432 G HA3 -0.009 3.953 3.960 0.003 0.000 0.278 432 G C 0.334 175.391 174.900 0.262 0.000 1.307 432 G CA -0.180 45.022 45.100 0.171 0.000 1.016 432 G HN 0.499 nan 8.290 nan 0.000 0.503 433 Y N 0.262 120.615 120.300 0.088 0.000 2.070 433 Y HA -0.228 4.324 4.550 0.003 0.000 0.280 433 Y C 2.740 178.711 175.900 0.119 0.000 1.148 433 Y CA 2.601 60.764 58.100 0.104 0.000 1.125 433 Y CB -0.217 38.235 38.460 -0.013 0.000 0.975 433 Y HN 0.405 nan 8.280 nan 0.000 0.492 434 N N 0.390 119.105 118.700 0.024 0.000 2.223 434 N HA -0.162 4.580 4.740 0.003 0.000 0.185 434 N C 1.901 177.354 175.510 -0.095 0.000 1.016 434 N CA 1.370 54.371 53.050 -0.082 0.000 0.863 434 N CB -0.716 37.788 38.487 0.029 0.000 0.983 434 N HN 0.564 nan 8.380 nan 0.000 0.429 435 A N -0.507 122.251 122.820 -0.103 0.000 1.933 435 A HA -0.100 4.222 4.320 0.003 0.000 0.218 435 A C 1.957 179.383 177.584 -0.263 0.000 1.175 435 A CA 0.936 52.840 52.037 -0.222 0.000 0.628 435 A CB -0.916 17.877 19.000 -0.345 0.000 0.814 435 A HN 0.433 nan 8.150 nan 0.000 0.444 436 W N -0.670 120.607 121.300 -0.037 0.000 2.576 436 W HA 0.058 4.721 4.660 0.004 0.000 0.270 436 W C 2.440 178.967 176.519 0.014 0.000 1.255 436 W CA 0.218 57.568 57.345 0.009 0.000 1.314 436 W CB 0.098 29.537 29.460 -0.034 0.000 1.101 436 W HN 0.131 nan 8.180 nan 0.000 0.595 437 R N 0.431 120.942 120.500 0.018 0.000 2.075 437 R HA -0.082 4.260 4.340 0.003 0.000 0.232 437 R C 2.015 178.320 176.300 0.008 0.000 1.126 437 R CA 1.191 57.241 56.100 -0.082 0.000 0.963 437 R CB -0.857 29.267 30.300 -0.294 0.000 0.858 437 R HN 0.255 nan 8.270 nan 0.000 0.435 438 R N -0.087 120.416 120.500 0.005 0.000 2.081 438 R HA -0.134 4.208 4.340 0.003 0.000 0.235 438 R C 2.217 178.551 176.300 0.057 0.000 1.131 438 R CA 1.300 57.406 56.100 0.011 0.000 0.960 438 R CB -0.370 29.921 30.300 -0.016 0.000 0.856 438 R HN 0.131 nan 8.270 nan 0.000 0.436 439 F N 0.450 120.382 119.950 -0.029 0.000 2.126 439 F HA -0.270 4.259 4.527 0.003 0.000 0.299 439 F C 1.887 177.734 175.800 0.079 0.000 1.096 439 F CA 1.517 59.532 58.000 0.024 0.000 1.255 439 F CB -0.421 38.629 39.000 0.084 0.000 0.997 439 F HN 0.035 nan 8.300 nan 0.000 0.479 440 c N 0.732 119.345 118.600 0.020 0.000 2.539 440 c HA 0.346 4.918 4.570 0.003 0.000 0.268 440 c C 1.869 175.927 174.090 -0.054 0.000 1.395 440 c CA 0.802 57.093 56.329 -0.062 0.000 1.757 440 c CB -1.319 41.258 42.510 0.111 0.000 1.851 440 c HN 0.917 nan 8.230 nan 0.000 0.545 441 G N 0.556 109.327 108.800 -0.048 0.000 2.149 441 G HA2 -0.216 3.746 3.960 0.003 0.000 0.235 441 G HA3 -0.216 3.746 3.960 0.003 0.000 0.235 441 G C -0.219 174.674 174.900 -0.011 0.000 1.018 441 G CA -0.176 44.902 45.100 -0.035 0.000 0.728 441 G HN 0.497 nan 8.290 nan 0.000 0.508 442 L N 0.386 121.608 121.223 -0.002 0.000 2.334 442 L HA 0.525 4.867 4.340 0.003 0.000 0.275 442 L C -1.861 175.002 176.870 -0.012 0.000 1.036 442 L CA -2.551 52.288 54.840 -0.001 0.000 0.807 442 L CB 1.633 43.692 42.059 -0.000 0.000 1.231 442 L HN -0.145 nan 8.230 nan 0.000 0.438 443 P HA 0.035 nan 4.420 nan 0.000 0.266 443 P C -1.479 175.823 177.300 0.004 0.000 1.195 443 P CA -0.162 62.941 63.100 0.005 0.000 0.768 443 P CB 0.389 32.100 31.700 0.018 0.000 0.838 444 Q N 4.119 123.923 119.800 0.007 0.000 2.400 444 Q HA 0.339 4.681 4.340 0.003 0.000 0.255 444 Q C -2.141 173.891 176.000 0.052 0.000 1.008 444 Q CA -1.877 53.937 55.803 0.017 0.000 0.841 444 Q CB 0.402 29.139 28.738 -0.002 0.000 1.220 444 Q HN 0.355 nan 8.270 nan 0.000 0.474 445 P HA -0.022 nan 4.420 nan 0.000 0.268 445 P C -0.299 177.047 177.300 0.077 0.000 1.204 445 P CA 0.025 63.177 63.100 0.087 0.000 0.768 445 P CB 1.417 33.185 31.700 0.114 0.000 0.842 446 E N 0.909 121.142 120.200 0.055 0.000 2.132 446 E HA 0.022 4.374 4.350 0.003 0.000 0.193 446 E C 0.979 177.606 176.600 0.045 0.000 0.951 446 E CA 1.086 57.514 56.400 0.047 0.000 0.843 446 E CB -0.361 29.360 29.700 0.035 0.000 0.807 446 E HN 0.601 nan 8.360 nan 0.000 0.467 447 T N -1.479 113.099 114.554 0.040 0.000 2.923 447 T HA 0.306 4.658 4.350 0.003 0.000 0.281 447 T C 1.286 176.007 174.700 0.035 0.000 0.995 447 T CA -0.467 61.654 62.100 0.035 0.000 0.985 447 T CB 1.839 70.724 68.868 0.028 0.000 1.114 447 T HN -0.143 nan 8.240 nan 0.000 0.548 448 V N 1.150 121.082 119.914 0.030 0.000 2.427 448 V HA 0.076 4.198 4.120 0.003 0.000 0.248 448 V C 2.427 178.534 176.094 0.022 0.000 1.051 448 V CA 2.685 65.000 62.300 0.026 0.000 1.048 448 V CB -1.286 30.550 31.823 0.023 0.000 0.666 448 V HN 1.093 nan 8.190 nan 0.000 0.456 449 G N -1.364 107.448 108.800 0.021 0.000 2.418 449 G HA2 -0.268 3.694 3.960 0.003 0.000 0.217 449 G HA3 -0.268 3.694 3.960 0.003 0.000 0.217 449 G C 1.439 176.352 174.900 0.022 0.000 1.158 449 G CA 0.910 46.022 45.100 0.019 0.000 0.771 449 G HN 0.587 nan 8.290 nan 0.000 0.545 450 Q N -0.720 119.096 119.800 0.028 0.000 2.119 450 Q HA 0.025 4.367 4.340 0.003 0.000 0.201 450 Q C 2.447 178.472 176.000 0.042 0.000 0.972 450 Q CA 0.810 56.634 55.803 0.034 0.000 0.847 450 Q CB -0.200 28.561 28.738 0.038 0.000 0.903 450 Q HN 0.414 nan 8.270 nan 0.000 0.433 451 L N 0.364 121.611 121.223 0.041 0.000 2.093 451 L HA -0.022 4.320 4.340 0.003 0.000 0.208 451 L C 2.034 178.916 176.870 0.020 0.000 1.085 451 L CA 1.997 56.859 54.840 0.037 0.000 0.755 451 L CB -0.856 41.214 42.059 0.018 0.000 0.904 451 L HN 0.160 nan 8.230 nan 0.000 0.435 452 G N -1.841 106.969 108.800 0.016 0.000 2.422 452 G HA2 -0.241 3.721 3.960 0.003 0.000 0.218 452 G HA3 -0.241 3.721 3.960 0.003 0.000 0.218 452 G C 1.414 176.323 174.900 0.014 0.000 1.146 452 G CA 1.175 46.282 45.100 0.010 0.000 0.769 452 G HN 0.434 nan 8.290 nan 0.000 0.547 453 T N 0.821 115.388 114.554 0.021 0.000 2.777 453 T HA -0.077 4.275 4.350 0.003 0.000 0.266 453 T C 2.518 177.235 174.700 0.028 0.000 1.040 453 T CA 1.102 63.215 62.100 0.022 0.000 1.141 453 T CB -0.195 68.687 68.868 0.023 0.000 0.868 453 T HN 0.067 nan 8.240 nan 0.000 0.444 454 V N 1.307 121.245 119.914 0.040 0.000 2.427 454 V HA -0.026 4.096 4.120 0.003 0.000 0.248 454 V C 2.211 178.332 176.094 0.044 0.000 1.051 454 V CA 1.401 63.736 62.300 0.057 0.000 1.048 454 V CB -0.516 31.369 31.823 0.102 0.000 0.666 454 V HN 0.448 nan 8.190 nan 0.000 0.456 455 L N -1.201 120.036 121.223 0.023 0.000 2.529 455 L HA 0.233 4.575 4.340 0.003 0.000 0.223 455 L C 1.269 178.140 176.870 0.001 0.000 1.113 455 L CA 0.125 54.967 54.840 0.003 0.000 0.861 455 L CB -0.132 41.913 42.059 -0.022 0.000 1.012 455 L HN 0.228 nan 8.230 nan 0.000 0.461 456 R N 0.543 121.047 120.500 0.007 0.000 3.758 456 R HA -0.203 4.139 4.340 0.003 0.000 0.299 456 R C -0.191 176.109 176.300 0.001 0.000 1.182 456 R CA 0.563 56.665 56.100 0.005 0.000 0.809 456 R CB -2.005 28.297 30.300 0.004 0.000 1.249 456 R HN 0.322 nan 8.270 nan 0.000 0.497 457 N N 0.199 118.898 118.700 -0.001 0.000 2.664 457 N HA 0.084 4.826 4.740 0.003 0.000 0.268 457 N C 0.047 175.556 175.510 -0.003 0.000 1.222 457 N CA -0.337 52.711 53.050 -0.003 0.000 0.805 457 N CB 1.230 39.712 38.487 -0.009 0.000 1.399 457 N HN 0.040 nan 8.380 nan 0.000 0.547 458 L N 3.656 124.880 121.223 0.001 0.000 2.156 458 L HA 0.184 4.526 4.340 0.003 0.000 0.208 458 L C 2.124 178.996 176.870 0.003 0.000 1.095 458 L CA 1.721 56.563 54.840 0.003 0.000 0.770 458 L CB -0.148 41.914 42.059 0.006 0.000 0.914 458 L HN 0.542 nan 8.230 nan 0.000 0.439 459 K N -0.830 119.571 120.400 0.002 0.000 2.057 459 K HA -0.211 4.111 4.320 0.003 0.000 0.207 459 K C 2.108 178.709 176.600 0.002 0.000 1.049 459 K CA 1.802 58.090 56.287 0.003 0.000 0.931 459 K CB -0.243 32.258 32.500 0.003 0.000 0.714 459 K HN 0.306 nan 8.250 nan 0.000 0.440 460 L N 0.784 122.005 121.223 -0.003 0.000 2.093 460 L HA -0.018 4.324 4.340 0.003 0.000 0.208 460 L C 2.142 179.008 176.870 -0.006 0.000 1.085 460 L CA 1.832 56.668 54.840 -0.006 0.000 0.755 460 L CB -0.507 41.542 42.059 -0.017 0.000 0.904 460 L HN 0.194 nan 8.230 nan 0.000 0.435 461 A N -0.445 122.370 122.820 -0.008 0.000 1.933 461 A HA -0.201 4.121 4.320 0.003 0.000 0.218 461 A C 2.430 180.020 177.584 0.010 0.000 1.175 461 A CA 1.637 53.670 52.037 -0.006 0.000 0.628 461 A CB -0.514 18.484 19.000 -0.003 0.000 0.814 461 A HN 0.479 nan 8.150 nan 0.000 0.444 462 R N -0.288 120.219 120.500 0.010 0.000 2.070 462 R HA -0.115 4.227 4.340 0.003 0.000 0.233 462 R C 2.231 178.541 176.300 0.017 0.000 1.137 462 R CA 1.744 57.853 56.100 0.014 0.000 0.945 462 R CB -0.320 29.986 30.300 0.010 0.000 0.845 462 R HN 0.503 nan 8.270 nan 0.000 0.430 463 K N 0.564 120.973 120.400 0.014 0.000 2.103 463 K HA -0.134 4.188 4.320 0.003 0.000 0.207 463 K C 2.150 178.769 176.600 0.031 0.000 1.048 463 K CA 1.183 57.478 56.287 0.014 0.000 0.930 463 K CB -0.157 32.350 32.500 0.011 0.000 0.716 463 K HN 0.138 nan 8.250 nan 0.000 0.444 464 L N 0.268 121.526 121.223 0.057 0.000 2.093 464 L HA -0.149 4.193 4.340 0.003 0.000 0.208 464 L C 2.462 179.434 176.870 0.169 0.000 1.085 464 L CA 0.736 55.660 54.840 0.141 0.000 0.755 464 L CB -0.199 41.912 42.059 0.086 0.000 0.904 464 L HN 0.242 nan 8.230 nan 0.000 0.435 465 M N -0.880 118.774 119.600 0.090 0.000 2.254 465 M HA -0.123 4.359 4.480 0.003 0.000 0.265 465 M C 2.177 178.509 176.300 0.053 0.000 1.066 465 M CA 1.351 56.700 55.300 0.081 0.000 1.123 465 M CB -0.774 31.856 32.600 0.051 0.000 1.388 465 M HN 0.204 nan 8.290 nan 0.000 0.425 466 E N 0.028 120.242 120.200 0.025 0.000 2.077 466 E HA -0.178 4.174 4.350 0.003 0.000 0.193 466 E C 2.034 178.610 176.600 -0.041 0.000 0.989 466 E CA 0.998 57.395 56.400 -0.005 0.000 0.800 466 E CB -0.118 29.574 29.700 -0.013 0.000 0.746 466 E HN 0.538 nan 8.360 nan 0.000 0.452 467 Q N -0.457 119.292 119.800 -0.084 0.000 2.033 467 Q HA -0.058 4.284 4.340 0.003 0.000 0.196 467 Q C 2.062 177.893 176.000 -0.283 0.000 0.970 467 Q CA 1.185 56.836 55.803 -0.254 0.000 0.828 467 Q CB -0.325 28.139 28.738 -0.456 0.000 0.895 467 Q HN 0.420 nan 8.270 nan 0.000 0.440 468 Y N -0.784 119.524 120.300 0.014 0.000 2.476 468 Y HA 0.181 4.732 4.550 0.002 0.000 0.283 468 Y C 1.868 177.783 175.900 0.025 0.000 1.109 468 Y CA 0.769 58.883 58.100 0.024 0.000 1.246 468 Y CB 0.128 38.605 38.460 0.028 0.000 1.068 468 Y HN 0.329 nan 8.280 nan 0.000 0.552 469 G N -0.519 108.371 108.800 0.152 0.000 2.347 469 G HA2 -0.303 3.659 3.960 0.003 0.000 0.247 469 G HA3 -0.303 3.659 3.960 0.003 0.000 0.247 469 G C 0.512 175.471 174.900 0.098 0.000 1.037 469 G CA 0.717 45.875 45.100 0.097 0.000 0.622 469 G HN 0.499 nan 8.290 nan 0.000 0.521 470 T N -0.285 114.345 114.554 0.127 0.000 2.982 470 T HA 0.612 4.964 4.350 0.003 0.000 0.321 470 T C -2.356 172.398 174.700 0.090 0.000 1.229 470 T CA -0.345 61.812 62.100 0.095 0.000 1.044 470 T CB 2.119 71.035 68.868 0.079 0.000 1.184 470 T HN -0.100 nan 8.240 nan 0.000 0.477 471 P HA 0.043 nan 4.420 nan 0.000 0.231 471 P C 1.081 178.459 177.300 0.129 0.000 1.158 471 P CA 0.498 63.651 63.100 0.087 0.000 0.763 471 P CB 0.147 31.931 31.700 0.140 0.000 0.805 472 N N -0.514 118.240 118.700 0.091 0.000 2.331 472 N HA -0.065 4.677 4.740 0.003 0.000 0.180 472 N C 1.100 176.646 175.510 0.060 0.000 1.019 472 N CA 0.960 54.055 53.050 0.075 0.000 0.881 472 N CB -0.605 37.914 38.487 0.053 0.000 0.972 472 N HN 0.150 nan 8.380 nan 0.000 0.435 473 N N 0.347 119.073 118.700 0.043 0.000 2.299 473 N HA 0.182 4.924 4.740 0.003 0.000 0.187 473 N C 0.047 175.446 175.510 -0.184 0.000 1.099 473 N CA -0.066 53.014 53.050 0.049 0.000 0.867 473 N CB 0.455 39.052 38.487 0.182 0.000 0.974 473 N HN 0.239 nan 8.380 nan 0.000 0.477 474 I N 1.744 122.023 120.570 -0.484 0.000 2.668 474 I HA -0.066 4.106 4.170 0.003 0.000 0.285 474 I C 0.189 176.080 176.117 -0.377 0.000 1.168 474 I CA 0.054 60.719 61.300 -1.058 0.000 1.424 474 I CB 0.226 37.794 38.000 -0.719 0.000 1.377 474 I HN -0.080 nan 8.210 nan 0.000 0.560 475 D N 5.421 125.653 120.400 -0.279 0.000 2.472 475 D HA -0.053 4.589 4.640 0.003 0.000 0.237 475 D C 1.107 177.486 176.300 0.130 0.000 1.141 475 D CA 0.004 54.051 54.000 0.078 0.000 0.875 475 D CB 1.347 42.274 40.800 0.212 0.000 1.192 475 D HN 0.468 nan 8.370 nan 0.000 0.450 476 I N 2.315 122.995 120.570 0.183 0.000 2.194 476 I HA -0.234 3.938 4.170 0.003 0.000 0.246 476 I C 1.931 178.132 176.117 0.140 0.000 1.093 476 I CA 1.465 62.855 61.300 0.151 0.000 1.355 476 I CB -0.209 37.784 38.000 -0.010 0.000 1.046 476 I HN 0.639 nan 8.210 nan 0.000 0.413 477 W N 0.294 121.597 121.300 0.005 0.000 2.358 477 W HA -0.274 4.387 4.660 0.003 0.000 0.303 477 W C 2.464 178.997 176.519 0.024 0.000 1.208 477 W CA 2.201 59.549 57.345 0.005 0.000 1.274 477 W CB -0.366 29.099 29.460 0.008 0.000 1.138 477 W HN 0.239 nan 8.180 nan 0.000 0.515 478 M N 0.898 120.649 119.600 0.251 0.000 2.067 478 M HA 0.019 4.501 4.480 0.003 0.000 0.260 478 M C 2.238 178.445 176.300 -0.154 0.000 1.069 478 M CA 2.656 57.997 55.300 0.068 0.000 1.117 478 M CB -1.351 31.392 32.600 0.239 0.000 1.334 478 M HN 0.048 nan 8.290 nan 0.000 0.407 479 G N -1.449 107.272 108.800 -0.131 0.000 2.443 479 G HA2 -0.047 3.915 3.960 0.003 0.000 0.219 479 G HA3 -0.047 3.915 3.960 0.003 0.000 0.219 479 G C 1.448 176.312 174.900 -0.060 0.000 1.131 479 G CA 0.700 45.636 45.100 -0.272 0.000 0.775 479 G HN 0.654 nan 8.290 nan 0.000 0.547 480 G N 0.818 109.599 108.800 -0.031 0.000 2.414 480 G HA2 -0.123 3.839 3.960 0.003 0.000 0.215 480 G HA3 -0.123 3.839 3.960 0.003 0.000 0.215 480 G C 1.902 176.684 174.900 -0.196 0.000 1.188 480 G CA 1.844 46.903 45.100 -0.067 0.000 0.783 480 G HN 0.757 nan 8.290 nan 0.000 0.537 481 V N -1.541 118.128 119.914 -0.409 0.000 3.041 481 V HA 0.044 4.166 4.120 0.003 0.000 0.260 481 V C 2.413 178.343 176.094 -0.273 0.000 1.105 481 V CA 2.059 64.102 62.300 -0.427 0.000 1.125 481 V CB -0.120 31.224 31.823 -0.797 0.000 0.730 481 V HN 0.183 nan 8.190 nan 0.000 0.479 482 S N -0.247 115.311 115.700 -0.236 0.000 2.436 482 S HA 0.040 4.512 4.470 0.003 0.000 0.228 482 S C 0.841 175.378 174.600 -0.104 0.000 1.014 482 S CA 0.405 58.509 58.200 -0.160 0.000 0.950 482 S CB -0.311 62.783 63.200 -0.175 0.000 0.784 482 S HN 0.770 nan 8.310 nan 0.000 0.504 483 E N 2.615 122.767 120.200 -0.079 0.000 2.384 483 E HA 0.089 4.441 4.350 0.003 0.000 0.266 483 E C -2.431 174.148 176.600 -0.035 0.000 1.012 483 E CA -1.788 54.596 56.400 -0.027 0.000 0.901 483 E CB 0.283 29.997 29.700 0.024 0.000 0.967 483 E HN 0.168 nan 8.360 nan 0.000 0.435 484 P HA -0.066 nan 4.420 nan 0.000 0.265 484 P C -0.396 176.891 177.300 -0.022 0.000 1.193 484 P CA 0.424 63.512 63.100 -0.019 0.000 0.765 484 P CB 0.427 32.122 31.700 -0.008 0.000 0.823 485 L N 2.467 123.674 121.223 -0.028 0.000 2.439 485 L HA 0.186 4.528 4.340 0.003 0.000 0.269 485 L C 1.364 178.217 176.870 -0.027 0.000 1.179 485 L CA -0.248 54.571 54.840 -0.036 0.000 0.828 485 L CB -0.181 41.856 42.059 -0.035 0.000 1.106 485 L HN 0.277 nan 8.230 nan 0.000 0.467 486 K N 1.838 122.219 120.400 -0.033 0.000 2.319 486 K HA 0.128 4.450 4.320 0.003 0.000 0.265 486 K C 0.161 176.749 176.600 -0.020 0.000 1.000 486 K CA -0.422 55.852 56.287 -0.021 0.000 0.943 486 K CB 0.523 33.012 32.500 -0.019 0.000 0.950 486 K HN 0.463 nan 8.250 nan 0.000 0.485 487 R N 2.210 122.703 120.500 -0.012 0.000 2.480 487 R HA -0.105 4.237 4.340 0.003 0.000 0.303 487 R C -0.201 176.091 176.300 -0.013 0.000 0.985 487 R CA 0.984 57.078 56.100 -0.010 0.000 1.051 487 R CB 0.054 30.350 30.300 -0.005 0.000 0.935 487 R HN 0.618 nan 8.270 nan 0.000 0.410 488 K N 0.451 120.843 120.400 -0.014 0.000 3.274 488 K HA -0.204 4.118 4.320 0.003 0.000 0.300 488 K C 0.060 176.642 176.600 -0.030 0.000 1.230 488 K CA 1.015 57.292 56.287 -0.015 0.000 0.884 488 K CB -1.114 31.381 32.500 -0.009 0.000 1.242 488 K HN 0.883 nan 8.250 nan 0.000 0.467 489 G N -0.523 108.252 108.800 -0.040 0.000 2.685 489 G HA2 0.567 4.529 3.960 0.003 0.000 0.298 489 G HA3 0.567 4.529 3.960 0.003 0.000 0.298 489 G C -0.017 174.839 174.900 -0.073 0.000 1.277 489 G CA -0.716 44.341 45.100 -0.071 0.000 0.986 489 G HN 0.023 nan 8.290 nan 0.000 0.487 490 R N -0.429 120.004 120.500 -0.111 0.000 2.577 490 R HA 0.250 4.592 4.340 0.003 0.000 0.344 490 R C 0.050 176.267 176.300 -0.139 0.000 1.037 490 R CA -0.073 55.980 56.100 -0.078 0.000 1.102 490 R CB 0.344 30.640 30.300 -0.006 0.000 1.313 490 R HN 0.504 nan 8.270 nan 0.000 0.561 491 V N -3.816 115.979 119.914 -0.198 0.000 3.040 491 V HA 0.875 4.997 4.120 0.003 0.000 0.312 491 V C 0.499 176.516 176.094 -0.128 0.000 1.115 491 V CA -1.228 60.937 62.300 -0.225 0.000 0.998 491 V CB 1.727 33.321 31.823 -0.382 0.000 1.042 491 V HN 0.064 nan 8.190 nan 0.000 0.433 492 G N 0.780 109.520 108.800 -0.100 0.000 2.621 492 G HA2 0.513 4.475 3.960 0.003 0.000 0.271 492 G HA3 0.513 4.475 3.960 0.003 0.000 0.271 492 G C -1.710 173.172 174.900 -0.030 0.000 1.236 492 G CA -0.945 44.127 45.100 -0.047 0.000 0.958 492 G HN 0.648 nan 8.290 nan 0.000 0.512 493 P HA -0.109 nan 4.420 nan 0.000 0.216 493 P C 2.038 179.355 177.300 0.029 0.000 1.150 493 P CA 0.441 63.561 63.100 0.034 0.000 0.837 493 P CB 0.134 31.862 31.700 0.046 0.000 0.786 494 L N -1.125 120.112 121.223 0.023 0.000 2.044 494 L HA -0.084 4.259 4.340 0.003 0.000 0.205 494 L C 2.233 179.091 176.870 -0.019 0.000 1.075 494 L CA 1.739 56.591 54.840 0.020 0.000 0.747 494 L CB -1.323 40.757 42.059 0.034 0.000 0.903 494 L HN -0.146 nan 8.230 nan 0.000 0.435 495 L N -0.539 120.652 121.223 -0.053 0.000 2.083 495 L HA -0.160 4.182 4.340 0.003 0.000 0.209 495 L C 2.677 179.475 176.870 -0.119 0.000 1.083 495 L CA 1.084 55.866 54.840 -0.096 0.000 0.752 495 L CB -0.912 41.053 42.059 -0.157 0.000 0.899 495 L HN 0.396 nan 8.230 nan 0.000 0.433 496 A N -0.667 122.075 122.820 -0.130 0.000 1.940 496 A HA -0.304 4.018 4.320 0.003 0.000 0.219 496 A C 2.527 179.906 177.584 -0.341 0.000 1.176 496 A CA 1.906 53.853 52.037 -0.150 0.000 0.631 496 A CB -1.253 17.718 19.000 -0.049 0.000 0.814 496 A HN 0.633 nan 8.150 nan 0.000 0.446 497 c N -0.374 118.020 118.600 -0.344 0.000 2.436 497 c HA -0.061 4.511 4.570 0.003 0.000 0.277 497 c C 2.530 176.378 174.090 -0.403 0.000 1.241 497 c CA 1.213 57.164 56.329 -0.630 0.000 1.721 497 c CB -1.382 41.056 42.510 -0.122 0.000 2.043 497 c HN 0.576 nan 8.230 nan 0.000 0.472 498 I N 0.811 121.317 120.570 -0.106 0.000 2.202 498 I HA -0.128 4.044 4.170 0.003 0.000 0.242 498 I C 2.459 178.633 176.117 0.097 0.000 1.091 498 I CA 1.787 63.104 61.300 0.028 0.000 1.368 498 I CB -0.432 37.563 38.000 -0.007 0.000 1.058 498 I HN 0.310 nan 8.210 nan 0.000 0.410 499 I N 0.796 121.453 120.570 0.145 0.000 2.226 499 I HA -0.197 3.975 4.170 0.003 0.000 0.245 499 I C 2.666 178.944 176.117 0.269 0.000 1.100 499 I CA 1.651 63.184 61.300 0.388 0.000 1.374 499 I CB -0.864 37.372 38.000 0.393 0.000 1.057 499 I HN 0.261 nan 8.210 nan 0.000 0.413 500 G N 0.128 108.914 108.800 -0.023 0.000 2.402 500 G HA2 -0.206 3.756 3.960 0.003 0.000 0.216 500 G HA3 -0.206 3.756 3.960 0.003 0.000 0.216 500 G C 1.666 176.584 174.900 0.031 0.000 1.162 500 G CA 1.341 46.416 45.100 -0.042 0.000 0.777 500 G HN 0.290 nan 8.290 nan 0.000 0.539 501 T N 0.470 114.969 114.554 -0.092 0.000 2.746 501 T HA -0.136 4.216 4.350 0.003 0.000 0.267 501 T C 2.317 177.024 174.700 0.011 0.000 1.039 501 T CA 1.656 63.782 62.100 0.044 0.000 1.142 501 T CB -0.157 68.757 68.868 0.078 0.000 0.866 501 T HN 0.343 nan 8.240 nan 0.000 0.444 502 Q N 0.554 120.303 119.800 -0.086 0.000 2.020 502 Q HA -0.024 4.318 4.340 0.003 0.000 0.202 502 Q C 1.763 177.559 176.000 -0.340 0.000 0.982 502 Q CA 1.730 57.322 55.803 -0.351 0.000 0.838 502 Q CB -0.692 27.547 28.738 -0.832 0.000 0.899 502 Q HN 0.546 nan 8.270 nan 0.000 0.423 503 F N 0.031 119.879 119.950 -0.170 0.000 2.365 503 F HA -0.002 4.527 4.527 0.003 0.000 0.300 503 F C 2.437 178.322 175.800 0.142 0.000 1.090 503 F CA 1.121 59.102 58.000 -0.031 0.000 1.408 503 F CB -0.129 38.805 39.000 -0.111 0.000 1.060 503 F HN 0.106 nan 8.300 nan 0.000 0.534 504 R N 0.697 121.337 120.500 0.233 0.000 2.090 504 R HA -0.112 4.230 4.340 0.003 0.000 0.228 504 R C 2.031 178.371 176.300 0.067 0.000 1.110 504 R CA 1.180 57.380 56.100 0.166 0.000 0.973 504 R CB -0.056 30.331 30.300 0.146 0.000 0.869 504 R HN 0.182 nan 8.270 nan 0.000 0.440 505 K N 0.242 120.655 120.400 0.021 0.000 2.148 505 K HA -0.087 4.235 4.320 0.003 0.000 0.204 505 K C 1.967 178.557 176.600 -0.017 0.000 1.050 505 K CA 1.105 57.382 56.287 -0.017 0.000 0.942 505 K CB -0.014 32.449 32.500 -0.062 0.000 0.724 505 K HN 0.208 nan 8.250 nan 0.000 0.446 506 L N 0.186 121.391 121.223 -0.030 0.000 2.291 506 L HA -0.056 4.286 4.340 0.003 0.000 0.214 506 L C 2.580 179.530 176.870 0.133 0.000 1.120 506 L CA 0.736 55.594 54.840 0.029 0.000 0.799 506 L CB -0.241 41.816 42.059 -0.004 0.000 0.925 506 L HN 0.145 nan 8.230 nan 0.000 0.446 507 R N 0.230 120.710 120.500 -0.033 0.000 2.055 507 R HA -0.077 4.265 4.340 0.003 0.000 0.221 507 R C 1.606 177.740 176.300 -0.278 0.000 1.154 507 R CA 1.231 57.011 56.100 -0.533 0.000 0.975 507 R CB 0.084 29.893 30.300 -0.820 0.000 0.869 507 R HN 0.178 nan 8.270 nan 0.000 0.437 508 D N -0.476 119.882 120.400 -0.070 0.000 2.269 508 D HA -0.030 4.612 4.640 0.003 0.000 0.208 508 D C 1.244 177.635 176.300 0.152 0.000 0.963 508 D CA 1.151 55.175 54.000 0.041 0.000 0.864 508 D CB -0.026 40.758 40.800 -0.027 0.000 0.936 508 D HN 0.481 nan 8.370 nan 0.000 0.505 509 G N -0.156 108.762 108.800 0.197 0.000 3.371 509 G HA2 -0.002 3.960 3.960 0.003 0.000 0.248 509 G HA3 -0.002 3.960 3.960 0.003 0.000 0.248 509 G C -0.253 175.023 174.900 0.627 0.000 1.161 509 G CA -0.264 45.034 45.100 0.330 0.000 0.796 509 G HN -0.007 nan 8.290 nan 0.000 0.539 510 D N -0.282 120.457 120.400 0.564 0.000 2.414 510 D HA 0.257 4.899 4.640 0.003 0.000 0.232 510 D C 1.372 177.669 176.300 -0.005 0.000 1.070 510 D CA -0.762 53.491 54.000 0.422 0.000 0.839 510 D CB 1.316 42.440 40.800 0.540 0.000 1.079 510 D HN 0.011 nan 8.370 nan 0.000 0.521 511 R N 2.693 122.836 120.500 -0.595 0.000 2.115 511 R HA -0.004 4.338 4.340 0.003 0.000 0.230 511 R C 0.661 176.526 176.300 -0.725 0.000 1.111 511 R CA 1.071 56.446 56.100 -1.208 0.000 0.976 511 R CB 0.002 29.535 30.300 -1.279 0.000 0.870 511 R HN 0.408 nan 8.270 nan 0.000 0.445 512 F N -0.160 119.647 119.950 -0.239 0.000 2.713 512 F HA 0.145 4.674 4.527 0.003 0.000 0.294 512 F C 0.332 176.158 175.800 0.042 0.000 1.152 512 F CA -0.742 57.181 58.000 -0.127 0.000 1.385 512 F CB 0.038 38.928 39.000 -0.183 0.000 0.981 512 F HN 0.111 nan 8.300 nan 0.000 0.514 513 W N 2.909 124.227 121.300 0.031 0.000 2.223 513 W HA -0.101 4.561 4.660 0.004 0.000 0.334 513 W C 1.204 177.762 176.519 0.065 0.000 1.334 513 W CA -0.699 56.669 57.345 0.039 0.000 1.246 513 W CB 0.466 29.868 29.460 -0.096 0.000 1.184 513 W HN 0.510 nan 8.180 nan 0.000 0.563 514 W N 4.483 125.395 121.300 -0.647 0.000 2.392 514 W HA -0.169 4.493 4.660 0.003 0.000 0.279 514 W C 0.801 177.257 176.519 -0.105 0.000 1.225 514 W CA 1.346 58.554 57.345 -0.228 0.000 1.233 514 W CB -0.748 28.507 29.460 -0.342 0.000 1.122 514 W HN 0.467 nan 8.180 nan 0.000 0.561 515 E N 0.698 120.238 120.200 -1.101 0.000 2.435 515 E HA -0.101 4.251 4.350 0.003 0.000 0.195 515 E C 0.448 177.026 176.600 -0.037 0.000 1.029 515 E CA -0.139 55.826 56.400 -0.725 0.000 0.865 515 E CB -0.228 28.956 29.700 -0.860 0.000 0.833 515 E HN 0.029 nan 8.360 nan 0.000 0.510 516 N N 2.141 120.925 118.700 0.140 0.000 2.454 516 N HA -0.091 4.651 4.740 0.003 0.000 0.254 516 N C -0.489 175.087 175.510 0.110 0.000 1.228 516 N CA 0.072 53.271 53.050 0.249 0.000 0.900 516 N CB 0.752 39.378 38.487 0.233 0.000 1.089 516 N HN -0.129 nan 8.380 nan 0.000 0.449 517 E N 2.007 122.264 120.200 0.095 0.000 2.415 517 E HA 0.288 4.640 4.350 0.003 0.000 0.260 517 E C 0.944 177.542 176.600 -0.002 0.000 1.016 517 E CA 1.229 57.654 56.400 0.041 0.000 0.924 517 E CB -0.494 29.226 29.700 0.033 0.000 0.961 517 E HN 0.724 nan 8.360 nan 0.000 0.459 518 G N 2.563 111.355 108.800 -0.014 0.000 2.213 518 G HA2 -0.275 3.687 3.960 0.003 0.000 0.226 518 G HA3 -0.275 3.687 3.960 0.003 0.000 0.226 518 G C 0.858 175.705 174.900 -0.089 0.000 0.992 518 G CA 0.089 45.158 45.100 -0.052 0.000 0.632 518 G HN 0.472 nan 8.290 nan 0.000 0.511 519 V N -0.385 119.479 119.914 -0.084 0.000 2.346 519 V HA 0.413 4.535 4.120 0.003 0.000 0.244 519 V C 1.086 176.942 176.094 -0.396 0.000 1.037 519 V CA 1.751 63.943 62.300 -0.181 0.000 1.029 519 V CB -0.332 31.449 31.823 -0.070 0.000 0.663 519 V HN 0.254 nan 8.190 nan 0.000 0.454 520 F N -0.595 119.363 119.950 0.013 0.000 2.603 520 F HA 0.558 5.087 4.527 0.003 0.000 0.317 520 F C 0.559 176.321 175.800 -0.063 0.000 1.066 520 F CA -0.818 57.165 58.000 -0.028 0.000 0.941 520 F CB 1.652 40.671 39.000 0.031 0.000 1.291 520 F HN -0.062 nan 8.300 nan 0.000 0.472 521 S N 1.519 117.276 115.700 0.095 0.000 2.624 521 S HA 0.198 4.670 4.470 0.003 0.000 0.263 521 S C 1.153 175.767 174.600 0.022 0.000 1.287 521 S CA -0.552 57.654 58.200 0.011 0.000 0.990 521 S CB 0.740 63.903 63.200 -0.061 0.000 0.950 521 S HN 0.915 nan 8.310 nan 0.000 0.561 522 M N 1.200 120.805 119.600 0.009 0.000 2.080 522 M HA -0.187 4.295 4.480 0.003 0.000 0.260 522 M C 2.384 178.690 176.300 0.010 0.000 1.068 522 M CA 1.856 57.167 55.300 0.017 0.000 1.109 522 M CB -0.482 32.126 32.600 0.013 0.000 1.342 522 M HN 0.872 nan 8.290 nan 0.000 0.405 523 Q N -0.388 119.401 119.800 -0.018 0.000 2.230 523 Q HA -0.201 4.141 4.340 0.003 0.000 0.202 523 Q C 1.676 177.646 176.000 -0.050 0.000 0.963 523 Q CA 1.460 57.251 55.803 -0.020 0.000 0.866 523 Q CB -0.703 28.021 28.738 -0.024 0.000 0.931 523 Q HN 0.693 nan 8.270 nan 0.000 0.452 524 Q N 0.679 120.390 119.800 -0.148 0.000 2.079 524 Q HA -0.021 4.321 4.340 0.003 0.000 0.200 524 Q C 2.289 178.229 176.000 -0.100 0.000 0.974 524 Q CA 1.123 56.737 55.803 -0.315 0.000 0.840 524 Q CB 0.059 28.482 28.738 -0.524 0.000 0.898 524 Q HN 0.396 nan 8.270 nan 0.000 0.430 525 R N 0.174 120.679 120.500 0.009 0.000 2.092 525 R HA -0.112 4.230 4.340 0.003 0.000 0.231 525 R C 2.291 178.701 176.300 0.182 0.000 1.119 525 R CA 0.869 57.070 56.100 0.169 0.000 0.970 525 R CB -0.140 30.270 30.300 0.183 0.000 0.864 525 R HN 0.252 nan 8.270 nan 0.000 0.440 526 Q N 0.365 120.227 119.800 0.103 0.000 2.167 526 Q HA -0.064 4.278 4.340 0.003 0.000 0.202 526 Q C 1.812 177.857 176.000 0.075 0.000 0.970 526 Q CA 1.620 57.477 55.803 0.090 0.000 0.855 526 Q CB 0.140 28.914 28.738 0.060 0.000 0.911 526 Q HN 0.339 nan 8.270 nan 0.000 0.438 527 A N -0.049 122.818 122.820 0.080 0.000 1.935 527 A HA -0.004 4.318 4.320 0.003 0.000 0.214 527 A C 2.107 179.715 177.584 0.041 0.000 1.178 527 A CA 0.343 52.435 52.037 0.092 0.000 0.640 527 A CB -0.408 18.711 19.000 0.198 0.000 0.825 527 A HN 0.345 nan 8.150 nan 0.000 0.447 528 L N -0.517 120.713 121.223 0.013 0.000 2.201 528 L HA -0.136 4.206 4.340 0.003 0.000 0.212 528 L C 2.860 179.580 176.870 -0.250 0.000 1.105 528 L CA 0.812 55.553 54.840 -0.166 0.000 0.775 528 L CB -0.281 41.585 42.059 -0.321 0.000 0.913 528 L HN 0.427 nan 8.230 nan 0.000 0.440 529 A N -0.975 121.785 122.820 -0.100 0.000 2.121 529 A HA -0.154 4.168 4.320 0.003 0.000 0.218 529 A C 2.019 179.572 177.584 -0.051 0.000 1.154 529 A CA 0.951 52.958 52.037 -0.049 0.000 0.679 529 A CB -0.162 18.914 19.000 0.127 0.000 0.795 529 A HN 0.388 nan 8.150 nan 0.000 0.458 530 Q N -0.349 119.419 119.800 -0.052 0.000 2.425 530 Q HA 0.111 4.453 4.340 0.003 0.000 0.204 530 Q C 0.627 176.585 176.000 -0.071 0.000 0.933 530 Q CA 0.065 55.843 55.803 -0.042 0.000 0.939 530 Q CB -0.621 28.103 28.738 -0.022 0.000 1.044 530 Q HN 0.874 nan 8.270 nan 0.000 0.513 531 I N -0.570 119.931 120.570 -0.114 0.000 2.720 531 I HA 0.318 4.490 4.170 0.003 0.000 0.287 531 I C 0.067 176.119 176.117 -0.108 0.000 1.090 531 I CA -0.307 60.918 61.300 -0.125 0.000 1.384 531 I CB 1.147 39.042 38.000 -0.175 0.000 1.420 531 I HN -0.065 nan 8.210 nan 0.000 0.575 532 S N 4.303 119.946 115.700 -0.096 0.000 2.570 532 S HA 0.438 4.910 4.470 0.003 0.000 0.270 532 S C 0.191 174.735 174.600 -0.094 0.000 1.149 532 S CA -0.804 57.341 58.200 -0.092 0.000 0.837 532 S CB 1.289 64.437 63.200 -0.087 0.000 1.124 532 S HN 0.890 nan 8.310 nan 0.000 0.465 533 L N 1.615 122.772 121.223 -0.110 0.000 2.046 533 L HA 0.206 4.548 4.340 0.003 0.000 0.208 533 L C -1.160 175.653 176.870 -0.095 0.000 1.077 533 L CA 1.754 56.530 54.840 -0.106 0.000 0.747 533 L CB -1.546 40.425 42.059 -0.147 0.000 0.896 533 L HN 0.587 nan 8.230 nan 0.000 0.432 534 P HA -0.180 nan 4.420 nan 0.000 0.216 534 P C 1.454 178.729 177.300 -0.042 0.000 1.150 534 P CA 1.233 64.291 63.100 -0.071 0.000 0.837 534 P CB -0.024 31.621 31.700 -0.092 0.000 0.786 535 R N 0.054 120.521 120.500 -0.054 0.000 2.090 535 R HA 0.007 4.349 4.340 0.003 0.000 0.228 535 R C 2.132 178.406 176.300 -0.044 0.000 1.110 535 R CA 1.256 57.329 56.100 -0.045 0.000 0.973 535 R CB -1.530 28.738 30.300 -0.055 0.000 0.869 535 R HN 0.135 nan 8.270 nan 0.000 0.440 536 I N -0.022 120.516 120.570 -0.053 0.000 2.286 536 I HA -0.265 3.907 4.170 0.003 0.000 0.248 536 I C 1.928 178.024 176.117 -0.035 0.000 1.115 536 I CA 1.253 62.523 61.300 -0.050 0.000 1.392 536 I CB -0.220 37.747 38.000 -0.055 0.000 1.065 536 I HN 0.132 nan 8.210 nan 0.000 0.418 537 I N -0.142 120.413 120.570 -0.026 0.000 2.252 537 I HA -0.308 3.864 4.170 0.003 0.000 0.245 537 I C 2.647 178.763 176.117 -0.001 0.000 1.102 537 I CA 1.089 62.384 61.300 -0.009 0.000 1.385 537 I CB -0.484 37.522 38.000 0.010 0.000 1.064 537 I HN 0.335 nan 8.210 nan 0.000 0.414 538 c N 0.679 119.279 118.600 0.001 0.000 2.413 538 c HA -0.183 4.389 4.570 0.003 0.000 0.276 538 c C 2.376 176.462 174.090 -0.007 0.000 1.248 538 c CA 0.915 57.247 56.329 0.005 0.000 1.742 538 c CB -0.971 41.541 42.510 0.004 0.000 2.017 538 c HN 0.520 nan 8.230 nan 0.000 0.481 539 D N 0.253 120.642 120.400 -0.020 0.000 2.317 539 D HA -0.033 4.609 4.640 0.003 0.000 0.211 539 D C 1.353 177.639 176.300 -0.025 0.000 0.966 539 D CA 0.930 54.914 54.000 -0.026 0.000 0.876 539 D CB -0.359 40.417 40.800 -0.040 0.000 0.927 539 D HN 0.569 nan 8.370 nan 0.000 0.519 540 N N -0.315 118.372 118.700 -0.022 0.000 2.159 540 N HA 0.006 4.748 4.740 0.003 0.000 0.217 540 N C 0.459 175.957 175.510 -0.020 0.000 1.223 540 N CA 0.220 53.256 53.050 -0.022 0.000 0.896 540 N CB 1.574 40.045 38.487 -0.027 0.000 1.064 540 N HN 0.197 nan 8.380 nan 0.000 0.518 541 T N -4.130 110.414 114.554 -0.016 0.000 2.858 541 T HA 0.561 4.913 4.350 0.003 0.000 0.285 541 T C 0.979 175.672 174.700 -0.012 0.000 1.052 541 T CA -0.657 61.432 62.100 -0.017 0.000 1.009 541 T CB 1.713 70.570 68.868 -0.018 0.000 1.241 541 T HN -0.096 nan 8.240 nan 0.000 0.542 542 G N -0.145 108.645 108.800 -0.017 0.000 3.233 542 G HA2 0.335 4.297 3.960 0.003 0.000 0.227 542 G HA3 0.335 4.297 3.960 0.003 0.000 0.227 542 G C 0.312 175.205 174.900 -0.011 0.000 1.175 542 G CA -0.440 44.652 45.100 -0.014 0.000 0.781 542 G HN 0.739 nan 8.290 nan 0.000 0.542 543 I N 1.765 122.332 120.570 -0.005 0.000 2.416 543 I HA 0.154 4.326 4.170 0.003 0.000 0.288 543 I C 1.574 177.722 176.117 0.052 0.000 1.051 543 I CA -0.098 61.212 61.300 0.017 0.000 1.375 543 I CB 1.660 39.677 38.000 0.028 0.000 1.407 543 I HN 0.073 nan 8.210 nan 0.000 0.516 544 T N -0.566 114.033 114.554 0.074 0.000 3.001 544 T HA 0.130 4.482 4.350 0.003 0.000 0.251 544 T C 0.597 175.370 174.700 0.122 0.000 1.040 544 T CA -0.018 62.129 62.100 0.079 0.000 0.985 544 T CB 0.062 68.966 68.868 0.059 0.000 1.011 544 T HN 0.525 nan 8.240 nan 0.000 0.509 545 T N 2.862 117.535 114.554 0.199 0.000 2.847 545 T HA 0.670 5.022 4.350 0.003 0.000 0.291 545 T C -0.312 174.618 174.700 0.382 0.000 0.998 545 T CA -0.684 61.573 62.100 0.260 0.000 0.967 545 T CB 1.772 70.806 68.868 0.276 0.000 0.954 545 T HN 0.379 nan 8.240 nan 0.000 0.441 546 V N 0.334 120.445 119.914 0.328 0.000 3.155 546 V HA 0.806 4.928 4.120 0.003 0.000 0.313 546 V C 0.171 176.347 176.094 0.138 0.000 1.162 546 V CA -1.177 61.323 62.300 0.332 0.000 1.048 546 V CB 1.708 33.616 31.823 0.142 0.000 1.092 546 V HN 0.713 nan 8.190 nan 0.000 0.447 547 S N 0.788 116.371 115.700 -0.194 0.000 2.572 547 S HA 0.305 4.777 4.470 0.003 0.000 0.279 547 S C 0.030 174.411 174.600 -0.364 0.000 1.341 547 S CA -0.465 57.331 58.200 -0.673 0.000 1.043 547 S CB 0.131 62.983 63.200 -0.581 0.000 0.887 547 S HN 0.706 nan 8.310 nan 0.000 0.516 548 K N 1.923 122.098 120.400 -0.375 0.000 2.258 548 K HA 0.105 4.427 4.320 0.003 0.000 0.264 548 K C -0.130 176.351 176.600 -0.198 0.000 1.007 548 K CA -0.133 56.024 56.287 -0.217 0.000 0.941 548 K CB 0.249 32.642 32.500 -0.179 0.000 0.966 548 K HN 0.527 nan 8.250 nan 0.000 0.480 549 N N 1.749 120.365 118.700 -0.140 0.000 2.497 549 N HA -0.024 4.718 4.740 0.003 0.000 0.268 549 N C -0.425 175.033 175.510 -0.087 0.000 1.171 549 N CA -0.208 52.771 53.050 -0.119 0.000 0.948 549 N CB 0.407 38.844 38.487 -0.084 0.000 1.069 549 N HN 0.380 nan 8.380 nan 0.000 0.460 550 N N 2.313 120.971 118.700 -0.071 0.000 2.514 550 N HA 0.058 4.800 4.740 0.003 0.000 0.277 550 N C 0.803 176.214 175.510 -0.165 0.000 1.126 550 N CA -0.045 52.955 53.050 -0.085 0.000 0.978 550 N CB 0.828 39.322 38.487 0.011 0.000 1.106 550 N HN 0.614 nan 8.380 nan 0.000 0.461 551 I N 3.179 123.559 120.570 -0.316 0.000 2.361 551 I HA -0.199 3.973 4.170 0.003 0.000 0.251 551 I C 0.929 176.852 176.117 -0.323 0.000 1.133 551 I CA 1.308 62.363 61.300 -0.407 0.000 1.413 551 I CB 0.017 37.691 38.000 -0.543 0.000 1.073 551 I HN 0.487 nan 8.210 nan 0.000 0.424 552 F N -0.425 119.533 119.950 0.014 0.000 2.661 552 F HA -0.032 4.497 4.527 0.004 0.000 0.298 552 F C 2.175 177.984 175.800 0.014 0.000 1.137 552 F CA 0.406 58.431 58.000 0.043 0.000 1.454 552 F CB -0.152 38.908 39.000 0.100 0.000 1.103 552 F HN 0.117 nan 8.300 nan 0.000 0.577 553 M N -1.000 118.660 119.600 0.100 0.000 2.657 553 M HA 0.134 4.616 4.480 0.003 0.000 0.262 553 M C 0.583 176.877 176.300 -0.011 0.000 1.213 553 M CA 0.469 55.797 55.300 0.047 0.000 1.182 553 M CB 0.408 33.023 32.600 0.026 0.000 1.303 553 M HN -0.248 nan 8.290 nan 0.000 0.501 554 S N 2.698 118.350 115.700 -0.080 0.000 2.498 554 S HA 0.074 4.546 4.470 0.003 0.000 0.281 554 S C 0.413 174.947 174.600 -0.110 0.000 1.265 554 S CA -0.193 57.914 58.200 -0.155 0.000 1.071 554 S CB 0.042 63.051 63.200 -0.318 0.000 0.894 554 S HN 0.600 nan 8.310 nan 0.000 0.491 555 N N 0.676 119.361 118.700 -0.025 0.000 2.036 555 N HA 0.038 4.780 4.740 0.003 0.000 0.228 555 N C -0.471 175.135 175.510 0.160 0.000 1.368 555 N CA -0.264 52.829 53.050 0.071 0.000 0.846 555 N CB 0.603 39.119 38.487 0.048 0.000 1.145 555 N HN 0.363 nan 8.380 nan 0.000 0.502 556 S N 0.110 115.922 115.700 0.186 0.000 2.502 556 S HA 0.486 4.958 4.470 0.003 0.000 0.304 556 S C -1.833 172.985 174.600 0.363 0.000 1.097 556 S CA -0.548 57.779 58.200 0.212 0.000 1.045 556 S CB 0.910 64.165 63.200 0.093 0.000 1.019 556 S HN 0.251 nan 8.310 nan 0.000 0.481 557 Y N 5.532 125.891 120.300 0.098 0.000 2.361 557 Y HA 0.595 5.147 4.550 0.003 0.000 0.332 557 Y C -1.644 174.213 175.900 -0.072 0.000 1.101 557 Y CA -1.784 56.250 58.100 -0.111 0.000 1.137 557 Y CB 1.538 39.670 38.460 -0.547 0.000 1.207 557 Y HN 0.582 nan 8.280 nan 0.000 0.463 558 P HA 0.194 nan 4.420 nan 0.000 0.266 558 P C 0.935 178.044 177.300 -0.318 0.000 1.381 558 P CA 0.178 62.644 63.100 -1.056 0.000 0.940 558 P CB 0.241 31.232 31.700 -1.183 0.000 1.435 559 R N 1.265 121.691 120.500 -0.123 0.000 2.096 559 R HA -0.083 4.259 4.340 0.003 0.000 0.235 559 R C 0.048 176.328 176.300 -0.033 0.000 1.127 559 R CA 1.391 57.455 56.100 -0.061 0.000 0.968 559 R CB -0.017 30.263 30.300 -0.033 0.000 0.861 559 R HN 0.039 nan 8.270 nan 0.000 0.440 560 D N -0.798 119.616 120.400 0.023 0.000 2.525 560 D HA 0.133 4.775 4.640 0.003 0.000 0.229 560 D C -0.979 175.104 176.300 -0.363 0.000 1.202 560 D CA 0.216 54.129 54.000 -0.144 0.000 0.828 560 D CB 0.071 40.750 40.800 -0.202 0.000 1.008 560 D HN 0.024 nan 8.370 nan 0.000 0.493 561 F N 0.433 120.296 119.950 -0.144 0.000 2.565 561 F HA 0.446 4.975 4.527 0.003 0.000 0.313 561 F C 0.208 175.944 175.800 -0.107 0.000 1.091 561 F CA -1.239 56.686 58.000 -0.125 0.000 0.915 561 F CB 2.033 40.943 39.000 -0.150 0.000 1.208 561 F HN -0.278 nan 8.300 nan 0.000 0.453 562 V N -0.521 119.452 119.914 0.098 0.000 3.102 562 V HA 0.646 4.768 4.120 0.003 0.000 0.312 562 V C -0.821 175.323 176.094 0.084 0.000 1.135 562 V CA -1.150 61.182 62.300 0.053 0.000 1.022 562 V CB 1.780 33.603 31.823 0.001 0.000 1.056 562 V HN 0.628 nan 8.190 nan 0.000 0.436 563 N N 0.111 118.846 118.700 0.058 0.000 2.503 563 N HA 0.301 5.043 4.740 0.003 0.000 0.267 563 N C 0.878 176.415 175.510 0.044 0.000 1.214 563 N CA -0.251 52.836 53.050 0.062 0.000 0.959 563 N CB 0.867 39.381 38.487 0.044 0.000 1.142 563 N HN 0.864 nan 8.380 nan 0.000 0.455 564 c N -0.312 118.316 118.600 0.047 0.000 2.432 564 c HA -0.095 4.477 4.570 0.003 0.000 0.282 564 c C 2.517 176.615 174.090 0.014 0.000 1.388 564 c CA 0.909 57.255 56.329 0.028 0.000 1.777 564 c CB -1.458 41.070 42.510 0.029 0.000 1.882 564 c HN 0.860 nan 8.230 nan 0.000 0.520 565 S N 1.306 117.016 115.700 0.015 0.000 2.419 565 S HA -0.167 4.305 4.470 0.003 0.000 0.233 565 S C 1.595 176.196 174.600 0.003 0.000 1.016 565 S CA 1.924 60.129 58.200 0.008 0.000 0.974 565 S CB -1.057 62.148 63.200 0.010 0.000 0.786 565 S HN 0.763 nan 8.310 nan 0.000 0.492 566 T N -0.359 114.197 114.554 0.003 0.000 3.113 566 T HA 0.344 4.696 4.350 0.003 0.000 0.256 566 T C 0.400 175.095 174.700 -0.008 0.000 1.131 566 T CA -0.087 62.012 62.100 -0.002 0.000 1.074 566 T CB -0.525 68.341 68.868 -0.003 0.000 0.944 566 T HN 0.331 nan 8.240 nan 0.000 0.516 567 L N 3.153 124.371 121.223 -0.008 0.000 2.280 567 L HA 0.477 4.819 4.340 0.003 0.000 0.287 567 L C -2.371 174.489 176.870 -0.017 0.000 1.023 567 L CA -2.513 52.318 54.840 -0.015 0.000 0.819 567 L CB 1.569 43.617 42.059 -0.019 0.000 1.212 567 L HN -0.028 nan 8.230 nan 0.000 0.420 568 P HA 0.261 nan 4.420 nan 0.000 0.279 568 P C -0.590 176.693 177.300 -0.028 0.000 1.239 568 P CA -0.371 62.718 63.100 -0.019 0.000 0.789 568 P CB 1.519 33.210 31.700 -0.015 0.000 0.933 569 A N 3.105 125.907 122.820 -0.031 0.000 2.280 569 A HA 0.343 4.665 4.320 0.003 0.000 0.268 569 A C 0.002 177.555 177.584 -0.051 0.000 1.111 569 A CA -0.584 51.426 52.037 -0.044 0.000 0.814 569 A CB -0.223 18.749 19.000 -0.045 0.000 1.093 569 A HN 0.620 nan 8.150 nan 0.000 0.498 570 L N 0.795 121.974 121.223 -0.074 0.000 2.462 570 L HA 0.165 4.507 4.340 0.003 0.000 0.272 570 L C 0.109 176.938 176.870 -0.068 0.000 1.166 570 L CA 0.217 55.005 54.840 -0.087 0.000 0.880 570 L CB -0.234 41.736 42.059 -0.148 0.000 1.142 570 L HN 0.676 nan 8.230 nan 0.000 0.473 571 N N 4.676 123.365 118.700 -0.019 0.000 2.406 571 N HA 0.182 4.924 4.740 0.003 0.000 0.251 571 N C 0.006 175.565 175.510 0.081 0.000 1.069 571 N CA 0.029 53.093 53.050 0.022 0.000 0.947 571 N CB 0.348 38.862 38.487 0.046 0.000 1.111 571 N HN 0.763 nan 8.380 nan 0.000 0.497 572 L N 2.604 123.847 121.223 0.033 0.000 2.728 572 L HA 0.274 4.616 4.340 0.003 0.000 0.235 572 L C 1.719 178.730 176.870 0.234 0.000 1.197 572 L CA -0.165 54.733 54.840 0.095 0.000 0.992 572 L CB -0.114 41.858 42.059 -0.146 0.000 1.263 572 L HN 0.592 nan 8.230 nan 0.000 0.484 573 A N 0.051 122.979 122.820 0.180 0.000 1.969 573 A HA -0.161 4.161 4.320 0.003 0.000 0.218 573 A C 2.369 180.043 177.584 0.151 0.000 1.169 573 A CA 1.785 53.897 52.037 0.125 0.000 0.635 573 A CB -0.285 18.760 19.000 0.074 0.000 0.810 573 A HN 0.507 nan 8.150 nan 0.000 0.445 574 S N -2.450 113.380 115.700 0.216 0.000 2.603 574 S HA -0.037 4.435 4.470 0.003 0.000 0.220 574 S C 1.285 175.887 174.600 0.002 0.000 0.967 574 S CA -0.095 58.145 58.200 0.066 0.000 0.920 574 S CB -0.461 62.709 63.200 -0.051 0.000 0.773 574 S HN 0.727 nan 8.310 nan 0.000 0.529 575 W N 2.126 123.454 121.300 0.046 0.000 3.290 575 W HA 0.338 5.000 4.660 0.003 0.000 0.287 575 W C 0.888 177.407 176.519 -0.001 0.000 1.288 575 W CA -0.728 56.667 57.345 0.084 0.000 1.725 575 W CB 0.058 29.572 29.460 0.089 0.000 1.103 575 W HN 0.254 nan 8.180 nan 0.000 0.670 576 R N 2.451 123.023 120.500 0.121 0.000 2.458 576 R HA -0.078 4.264 4.340 0.003 0.000 0.303 576 R C -0.037 176.281 176.300 0.029 0.000 1.013 576 R CA 0.800 56.900 56.100 0.001 0.000 1.026 576 R CB 0.179 30.478 30.300 -0.001 0.000 0.948 576 R HN -0.050 nan 8.270 nan 0.000 0.417 577 E N 3.804 124.011 120.200 0.012 0.000 2.206 577 E HA 0.273 4.625 4.350 0.003 0.000 0.244 577 E C -0.925 175.704 176.600 0.049 0.000 1.055 577 E CA -0.527 55.933 56.400 0.101 0.000 0.970 577 E CB 0.491 30.363 29.700 0.287 0.000 1.256 577 E HN 0.775 nan 8.360 nan 0.000 0.456 578 A N 2.395 125.232 122.820 0.028 0.000 2.407 578 A HA 0.636 4.958 4.320 0.003 0.000 0.248 578 A C 0.299 177.900 177.584 0.029 0.000 1.082 578 A CA 0.747 52.794 52.037 0.016 0.000 0.785 578 A CB 0.600 19.605 19.000 0.009 0.000 1.020 578 A HN 0.738 nan 8.150 nan 0.000 0.489 579 S N 0.000 115.715 115.700 0.024 0.000 2.498 579 S HA 0.000 4.472 4.470 0.003 0.000 0.327 579 S CA 0.000 nan 58.200 nan 0.000 1.107 579 S CB 0.000 nan 63.200 nan 0.000 0.593 579 S HN 0.000 nan 8.310 nan 0.000 0.517