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 1a1v_1_A DATA FIRST_RESID 190 DATA SEQUENCE PPAVPQSFQV AHLHAPTGSG KSTKVPAAYA AQGYKVLVLN PSVAATLGFG DATA SEQUENCE AYMSKAHGVD PNIRTGVRTI TTGSPITYST YGKFLADGGX SGGAYDIIIC DATA SEQUENCE DECHSTDATS ILGIGTVLDQ AETAGARLVV LATATPPGSV TVPHPNIEEV DATA SEQUENCE ALSTTGEIPF YGKAIPLEVI KGGRHLIFCH SKKKCDELAA KLVALGINAV DATA SEQUENCE AYYRGLDVSV IPTSGDVVVV ATDALXXXFT GDFDSVIDCN TXVTQTVDFS DATA SEQUENCE LDPTFTIETT TLPQDAVSRT QRRGRTGRGK PGIYRFVAPG ERPSGMFDSS DATA SEQUENCE VLCECYDAGX AWYELTPAET TVRLRAYMNT PGLPVCQDHL EFWEGVFTGL DATA SEQUENCE THIDAHFLSQ TKQSGENFPY LVAYQATVCA RAQAPPPSWD QMWKCLIRLK DATA SEQUENCE PTLHGPTPLL YRLGAVQNEV TLTHPITKYI MTCMS 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 190 P HA 0.000 nan 4.420 nan 0.000 0.216 190 P C 0.000 177.277 177.300 -0.039 0.000 1.155 190 P CA 0.000 63.053 63.100 -0.078 0.000 0.800 190 P CB 0.000 31.606 31.700 -0.156 0.000 0.726 191 P HA 0.041 nan 4.420 nan 0.000 0.271 191 P C -1.118 176.229 177.300 0.078 0.000 1.226 191 P CA -0.044 63.068 63.100 0.019 0.000 0.765 191 P CB 0.642 32.335 31.700 -0.012 0.000 0.835 192 A N 3.375 126.214 122.820 0.032 0.000 2.466 192 A HA -0.083 nan 4.320 nan 0.000 0.238 192 A C -0.553 177.044 177.584 0.022 0.000 1.074 192 A CA 0.019 52.087 52.037 0.053 0.000 0.774 192 A CB 0.765 19.777 19.000 0.020 0.000 1.015 192 A HN 0.105 8.256 8.150 0.003 0.000 0.498 193 V N 3.207 123.129 119.914 0.013 0.000 2.425 193 V HA -0.083 nan 4.120 nan 0.000 0.276 193 V C -1.160 174.884 176.094 -0.084 0.000 1.017 193 V CA -1.225 60.992 62.300 -0.139 0.000 1.062 193 V CB -1.017 30.641 31.823 -0.274 0.000 0.997 193 V HN 0.466 8.703 8.190 0.078 0.000 0.476 194 P HA 0.069 nan 4.420 nan 0.000 0.269 194 P C 0.066 177.340 177.300 -0.044 0.000 1.217 194 P CA -0.228 62.825 63.100 -0.079 0.000 0.783 194 P CB 1.085 32.709 31.700 -0.126 0.000 0.898 195 Q N 0.063 119.852 119.800 -0.019 0.000 2.167 195 Q HA -0.220 nan 4.340 nan 0.000 0.202 195 Q C 0.050 176.058 176.000 0.013 0.000 0.970 195 Q CA 1.902 57.709 55.803 0.006 0.000 0.855 195 Q CB 0.148 28.891 28.738 0.008 0.000 0.911 195 Q HN 0.570 8.826 8.270 -0.023 0.000 0.438 196 S N -3.464 112.238 115.700 0.003 0.000 2.667 196 S HA 0.074 nan 4.470 nan 0.000 0.292 196 S C -0.805 173.811 174.600 0.027 0.000 1.126 196 S CA -1.742 56.479 58.200 0.035 0.000 0.881 196 S CB 2.522 65.748 63.200 0.042 0.000 1.132 196 S HN -0.851 7.428 8.310 -0.019 0.019 0.492 197 F N 1.907 121.835 119.950 -0.036 0.000 2.593 197 F HA -0.155 nan 4.527 nan 0.000 0.393 197 F C -0.670 175.100 175.800 -0.050 0.000 1.037 197 F CA 1.902 59.872 58.000 -0.049 0.000 1.195 197 F CB 0.424 39.401 39.000 -0.039 0.000 1.034 197 F HN 0.090 8.525 8.300 0.226 0.000 0.552 198 Q N 5.607 124.819 119.800 -0.980 0.000 2.456 198 Q HA 0.307 nan 4.340 nan 0.000 0.284 198 Q C -2.065 173.380 176.000 -0.925 0.000 1.061 198 Q CA -1.830 53.526 55.803 -0.744 0.000 0.799 198 Q CB 4.213 32.737 28.738 -0.358 0.000 1.445 198 Q HN -0.005 7.665 8.270 -1.000 0.000 0.411 199 V N 0.284 119.865 119.914 -0.555 0.000 2.448 199 V HA 0.691 nan 4.120 nan 0.000 0.295 199 V C -1.331 174.587 176.094 -0.293 0.000 1.025 199 V CA -1.670 60.390 62.300 -0.399 0.000 0.859 199 V CB 0.950 32.628 31.823 -0.242 0.000 0.988 199 V HN 0.213 8.170 8.190 -0.388 0.000 0.431 200 A N 7.192 129.835 122.820 -0.296 0.000 2.423 200 A HA 0.605 nan 4.320 nan 0.000 0.304 200 A C -2.008 175.390 177.584 -0.309 0.000 1.104 200 A CA -1.782 50.123 52.037 -0.219 0.000 0.757 200 A CB 3.659 22.566 19.000 -0.156 0.000 1.313 200 A HN 1.037 8.897 8.150 -0.309 0.105 0.423 201 H N -0.625 118.337 119.070 -0.179 0.000 2.457 201 H HA 0.543 nan 4.556 nan 0.000 0.335 201 H C -1.214 173.917 175.328 -0.328 0.000 1.115 201 H CA -0.738 55.164 56.048 -0.243 0.000 1.219 201 H CB 2.201 31.751 29.762 -0.354 0.000 1.471 201 H HN 0.217 8.506 8.280 0.015 0.000 0.491 202 L N 5.298 126.451 121.223 -0.117 0.000 2.318 202 L HA 0.281 nan 4.340 nan 0.000 0.277 202 L C -2.265 174.640 176.870 0.060 0.000 1.008 202 L CA -1.029 53.764 54.840 -0.077 0.000 0.846 202 L CB 1.790 43.840 42.059 -0.015 0.000 1.220 202 L HN 0.611 8.713 8.230 -0.027 0.112 0.423 203 H N 6.880 125.975 119.070 0.041 0.000 2.623 203 H HA 0.503 nan 4.556 nan 0.000 0.299 203 H C -1.393 173.943 175.328 0.012 0.000 1.052 203 H CA -1.562 54.503 56.048 0.029 0.000 1.231 203 H CB -0.607 29.165 29.762 0.016 0.000 1.389 203 H HN 0.410 8.624 8.280 -0.110 0.000 0.469 204 A N 5.821 128.719 122.820 0.130 0.000 2.549 204 A HA 0.416 nan 4.320 nan 0.000 0.297 204 A C -2.955 174.658 177.584 0.048 0.000 1.061 204 A CA -2.542 49.535 52.037 0.066 0.000 0.690 204 A CB 1.531 20.557 19.000 0.043 0.000 1.287 204 A HN -0.026 8.208 8.150 0.139 0.000 0.402 205 P HA 0.016 nan 4.420 nan 0.000 0.269 205 P C -0.779 176.535 177.300 0.023 0.000 1.215 205 P CA -0.051 63.056 63.100 0.012 0.000 0.780 205 P CB 0.163 31.860 31.700 -0.005 0.000 0.898 206 T N 2.264 116.833 114.554 0.023 0.000 2.946 206 T HA -0.216 nan 4.350 nan 0.000 0.311 206 T C 0.924 175.643 174.700 0.032 0.000 1.063 206 T CA 2.077 64.197 62.100 0.034 0.000 1.139 206 T CB -0.172 68.718 68.868 0.037 0.000 0.994 206 T HN 0.088 8.337 8.240 0.015 0.000 0.547 207 G N 5.753 114.573 108.800 0.033 0.000 2.199 207 G HA2 -0.392 nan 3.960 nan 0.000 0.254 207 G HA3 -0.392 nan 3.960 nan 0.000 0.254 207 G C 0.691 175.618 174.900 0.046 0.000 0.982 207 G CA 0.370 45.492 45.100 0.037 0.000 0.632 207 G HN 0.424 8.734 8.290 0.033 0.000 0.529 208 S N 0.732 116.455 115.700 0.039 0.000 2.561 208 S HA -0.126 nan 4.470 nan 0.000 0.225 208 S C 0.795 175.425 174.600 0.050 0.000 0.977 208 S CA 1.006 59.229 58.200 0.038 0.000 0.926 208 S CB 0.416 63.631 63.200 0.025 0.000 0.769 208 S HN -0.248 8.013 8.310 0.034 0.070 0.533 209 G N 0.816 109.651 108.800 0.057 0.000 2.131 209 G HA2 -0.333 nan 3.960 nan 0.000 0.223 209 G HA3 -0.333 nan 3.960 nan 0.000 0.223 209 G C 0.385 175.304 174.900 0.031 0.000 0.990 209 G CA -0.106 45.038 45.100 0.074 0.000 0.671 209 G HN 0.429 8.681 8.290 0.049 0.067 0.521 210 K N -0.022 120.389 120.400 0.019 0.000 2.103 210 K HA -0.241 nan 4.320 nan 0.000 0.207 210 K C 0.362 176.948 176.600 -0.024 0.000 1.048 210 K CA 2.160 58.447 56.287 0.001 0.000 0.930 210 K CB -0.212 32.303 32.500 0.025 0.000 0.716 210 K HN 0.362 8.630 8.250 0.030 0.000 0.444 211 S N -5.031 110.655 115.700 -0.024 0.000 2.572 211 S HA 0.092 nan 4.470 nan 0.000 0.228 211 S C -0.417 174.121 174.600 -0.102 0.000 0.963 211 S CA -0.111 58.019 58.200 -0.115 0.000 0.939 211 S CB 0.492 63.599 63.200 -0.155 0.000 0.804 211 S HN -0.140 8.167 8.310 0.011 0.010 0.480 212 T N -2.288 112.271 114.554 0.009 0.000 3.550 212 T HA 0.183 nan 4.350 nan 0.000 0.261 212 T C 0.841 175.542 174.700 0.002 0.000 0.990 212 T CA 0.966 63.141 62.100 0.126 0.000 1.142 212 T CB 0.864 69.910 68.868 0.297 0.000 1.173 212 T HN -0.110 7.952 8.240 0.008 0.183 0.405 213 K N 3.500 123.928 120.400 0.048 0.000 2.025 213 K HA -0.217 nan 4.320 nan 0.000 0.207 213 K C 1.668 178.161 176.600 -0.179 0.000 1.049 213 K CA 3.208 59.449 56.287 -0.077 0.000 0.933 213 K CB 0.087 32.646 32.500 0.098 0.000 0.714 213 K HN -0.365 7.879 8.250 0.131 0.085 0.438 214 V N -0.723 119.101 119.914 -0.149 0.000 2.255 214 V HA -0.213 nan 4.120 nan 0.000 0.247 214 V C -0.617 175.316 176.094 -0.268 0.000 1.051 214 V CA 6.078 68.215 62.300 -0.272 0.000 1.018 214 V CB -2.778 28.927 31.823 -0.196 0.000 0.641 214 V HN 0.153 8.293 8.190 -0.084 0.000 0.445 215 P HA -0.129 nan 4.420 nan 0.000 0.221 215 P C 1.110 178.385 177.300 -0.042 0.000 1.150 215 P CA 2.794 65.895 63.100 0.002 0.000 0.800 215 P CB -0.889 30.733 31.700 -0.130 0.000 0.787 216 A N -1.350 121.376 122.820 -0.157 0.000 1.898 216 A HA -0.247 nan 4.320 nan 0.000 0.216 216 A C 1.966 179.480 177.584 -0.117 0.000 1.181 216 A CA 3.045 54.964 52.037 -0.196 0.000 0.620 216 A CB -0.939 17.733 19.000 -0.547 0.000 0.819 216 A HN -0.175 7.756 8.150 -0.204 0.096 0.442 217 A N -1.663 121.060 122.820 -0.163 0.000 1.930 217 A HA -0.224 nan 4.320 nan 0.000 0.217 217 A C 2.198 179.766 177.584 -0.026 0.000 1.175 217 A CA 2.742 54.702 52.037 -0.128 0.000 0.627 217 A CB -0.580 18.285 19.000 -0.225 0.000 0.815 217 A HN 0.019 8.032 8.150 -0.228 0.000 0.443 218 Y N -1.757 118.533 120.300 -0.016 0.000 2.145 218 Y HA -0.411 nan 4.550 nan 0.000 0.286 218 Y C 2.343 178.327 175.900 0.140 0.000 1.145 218 Y CA 2.077 60.200 58.100 0.037 0.000 1.148 218 Y CB -0.587 37.840 38.460 -0.054 0.000 0.981 218 Y HN -0.259 7.876 8.280 -0.114 0.077 0.507 219 A N -2.012 120.947 122.820 0.230 0.000 1.969 219 A HA -0.299 nan 4.320 nan 0.000 0.218 219 A C 2.105 179.747 177.584 0.098 0.000 1.169 219 A CA 2.511 54.638 52.037 0.150 0.000 0.635 219 A CB -1.031 18.015 19.000 0.076 0.000 0.810 219 A HN 0.263 8.518 8.150 0.175 0.000 0.445 220 A N -2.048 120.818 122.820 0.078 0.000 2.125 220 A HA -0.196 nan 4.320 nan 0.000 0.219 220 A C 1.229 178.839 177.584 0.043 0.000 1.156 220 A CA 2.292 54.355 52.037 0.045 0.000 0.671 220 A CB -0.542 18.475 19.000 0.029 0.000 0.794 220 A HN -0.078 8.098 8.150 0.074 0.018 0.459 221 Q N -2.514 117.343 119.800 0.094 0.000 2.320 221 Q HA 0.016 nan 4.340 nan 0.000 0.201 221 Q C 0.062 175.970 176.000 -0.154 0.000 0.910 221 Q CA -0.610 55.228 55.803 0.058 0.000 0.946 221 Q CB 0.253 29.149 28.738 0.263 0.000 1.062 221 Q HN -0.432 7.771 8.270 0.169 0.168 0.503 222 G N -1.732 106.997 108.800 -0.119 0.000 2.131 222 G HA2 -0.380 nan 3.960 nan 0.000 0.223 222 G HA3 -0.380 nan 3.960 nan 0.000 0.223 222 G C -0.826 173.892 174.900 -0.303 0.000 0.990 222 G CA 0.002 44.968 45.100 -0.222 0.000 0.671 222 G HN 0.004 8.078 8.290 -0.012 0.209 0.521 223 Y N -1.642 118.668 120.300 0.017 0.000 2.419 223 Y HA 0.023 nan 4.550 nan 0.000 0.328 223 Y C -0.657 175.245 175.900 0.003 0.000 1.162 223 Y CA -1.097 57.003 58.100 -0.000 0.000 1.174 223 Y CB 1.635 40.082 38.460 -0.023 0.000 1.228 223 Y HN -0.899 7.456 8.280 0.125 0.000 0.473 224 K N 1.760 122.274 120.400 0.190 0.000 2.267 224 K HA 0.235 nan 4.320 nan 0.000 0.282 224 K C -1.370 175.313 176.600 0.138 0.000 1.078 224 K CA -1.077 55.292 56.287 0.137 0.000 0.903 224 K CB -0.511 32.052 32.500 0.105 0.000 1.111 224 K HN 0.525 9.294 8.250 0.229 -0.381 0.475 225 V N 5.105 125.061 119.914 0.070 0.000 2.513 225 V HA 0.667 nan 4.120 nan 0.000 0.299 225 V C -1.809 174.174 176.094 -0.185 0.000 1.035 225 V CA -1.373 60.889 62.300 -0.063 0.000 0.889 225 V CB 2.059 33.830 31.823 -0.088 0.000 0.988 225 V HN 0.621 8.748 8.190 0.065 0.103 0.440 226 L N 7.462 128.467 121.223 -0.363 0.000 2.333 226 L HA 0.832 nan 4.340 nan 0.000 0.280 226 L C -2.376 174.149 176.870 -0.575 0.000 1.004 226 L CA -1.171 53.287 54.840 -0.638 0.000 0.820 226 L CB 3.514 44.885 42.059 -1.147 0.000 1.247 226 L HN 0.705 8.746 8.230 -0.315 0.000 0.416 227 V N 7.204 126.740 119.914 -0.630 0.000 2.350 227 V HA 0.612 nan 4.120 nan 0.000 0.285 227 V C -1.348 174.459 176.094 -0.478 0.000 1.014 227 V CA -1.614 60.346 62.300 -0.567 0.000 0.831 227 V CB 0.644 32.002 31.823 -0.774 0.000 1.000 227 V HN 1.079 8.874 8.190 -0.658 0.000 0.433 228 L N 7.504 128.401 121.223 -0.543 0.000 2.275 228 L HA 0.642 nan 4.340 nan 0.000 0.288 228 L C -1.769 174.687 176.870 -0.690 0.000 1.046 228 L CA -0.907 53.463 54.840 -0.783 0.000 0.805 228 L CB 0.894 42.209 42.059 -1.241 0.000 1.193 228 L HN 0.867 8.795 8.230 -0.502 0.000 0.426 229 N N 3.781 122.187 118.700 -0.489 0.000 2.229 229 N HA 0.400 nan 4.740 nan 0.000 0.298 229 N C -2.206 173.329 175.510 0.042 0.000 1.114 229 N CA -2.595 50.403 53.050 -0.087 0.000 0.776 229 N CB 4.031 42.618 38.487 0.167 0.000 1.501 229 N HN 0.270 8.377 8.380 -0.455 0.000 0.474 230 P HA -0.020 nan 4.420 nan 0.000 0.222 230 P C -0.463 176.900 177.300 0.105 0.000 1.153 230 P CA 1.180 64.420 63.100 0.232 0.000 0.798 230 P CB 0.582 32.360 31.700 0.130 0.000 0.796 231 S N -0.980 114.769 115.700 0.082 0.000 2.489 231 S HA 0.061 nan 4.470 nan 0.000 0.277 231 S C 1.261 175.879 174.600 0.030 0.000 1.230 231 S CA -1.122 57.104 58.200 0.043 0.000 1.053 231 S CB 1.002 64.218 63.200 0.026 0.000 0.955 231 S HN -0.384 8.300 8.310 0.100 -0.314 0.488 232 V N 8.227 128.151 119.914 0.017 0.000 2.358 232 V HA -0.331 nan 4.120 nan 0.000 0.246 232 V C 1.044 177.131 176.094 -0.011 0.000 1.047 232 V CA 3.865 66.172 62.300 0.011 0.000 1.035 232 V CB -0.583 31.243 31.823 0.005 0.000 0.658 232 V HN 0.857 9.056 8.190 0.015 0.000 0.452 233 A N -1.652 121.153 122.820 -0.024 0.000 1.877 233 A HA -0.341 nan 4.320 nan 0.000 0.216 233 A C 1.663 179.168 177.584 -0.132 0.000 1.186 233 A CA 3.340 55.345 52.037 -0.054 0.000 0.620 233 A CB -1.019 17.960 19.000 -0.034 0.000 0.822 233 A HN -0.115 8.029 8.150 -0.010 0.000 0.443 234 A N -2.687 120.040 122.820 -0.156 0.000 1.877 234 A HA -0.337 nan 4.320 nan 0.000 0.216 234 A C 2.126 179.408 177.584 -0.504 0.000 1.186 234 A CA 3.204 55.021 52.037 -0.367 0.000 0.620 234 A CB -0.744 18.122 19.000 -0.223 0.000 0.822 234 A HN -0.300 7.800 8.150 -0.084 0.000 0.443 235 T N 2.282 116.791 114.554 -0.076 0.000 2.652 235 T HA -0.349 nan 4.350 nan 0.000 0.267 235 T C 2.211 176.931 174.700 0.034 0.000 1.039 235 T CA 4.819 67.017 62.100 0.163 0.000 1.153 235 T CB -0.388 68.571 68.868 0.152 0.000 0.863 235 T HN -0.302 7.926 8.240 -0.021 0.000 0.428 236 L N -0.746 120.453 121.223 -0.040 0.000 2.083 236 L HA -0.354 nan 4.340 nan 0.000 0.209 236 L C 2.505 179.312 176.870 -0.105 0.000 1.083 236 L CA 2.640 57.456 54.840 -0.040 0.000 0.752 236 L CB -0.376 41.663 42.059 -0.032 0.000 0.899 236 L HN 0.030 8.235 8.230 -0.042 0.000 0.433 237 G N -1.203 107.457 108.800 -0.233 0.000 2.432 237 G HA2 -0.317 nan 3.960 nan 0.000 0.219 237 G HA3 -0.317 nan 3.960 nan 0.000 0.219 237 G C 1.017 175.753 174.900 -0.273 0.000 1.135 237 G CA 1.989 46.924 45.100 -0.275 0.000 0.767 237 G HN 0.047 8.087 8.290 -0.267 0.090 0.550 238 F N 1.489 121.289 119.950 -0.251 0.000 2.236 238 F HA -0.356 nan 4.527 nan 0.000 0.302 238 F C 2.043 177.701 175.800 -0.237 0.000 1.073 238 F CA 2.075 59.824 58.000 -0.418 0.000 1.336 238 F CB -0.779 37.506 39.000 -1.192 0.000 1.040 238 F HN -0.363 7.544 8.300 -0.625 0.018 0.507 239 G N -1.670 107.131 108.800 0.002 0.000 2.514 239 G HA2 -0.474 nan 3.960 nan 0.000 0.217 239 G HA3 -0.474 nan 3.960 nan 0.000 0.217 239 G C 0.462 175.406 174.900 0.074 0.000 1.198 239 G CA 2.241 47.375 45.100 0.057 0.000 0.780 239 G HN -0.338 7.903 8.290 -0.032 0.030 0.565 240 A N 2.106 124.956 122.820 0.050 0.000 1.898 240 A HA -0.168 nan 4.320 nan 0.000 0.216 240 A C 1.504 179.124 177.584 0.060 0.000 1.181 240 A CA 2.389 54.450 52.037 0.040 0.000 0.620 240 A CB -0.805 18.204 19.000 0.016 0.000 0.819 240 A HN -0.573 7.592 8.150 0.025 0.000 0.442 241 Y N 0.239 120.536 120.300 -0.006 0.000 2.181 241 Y HA -0.412 nan 4.550 nan 0.000 0.288 241 Y C 1.935 177.880 175.900 0.075 0.000 1.146 241 Y CA 3.825 61.938 58.100 0.022 0.000 1.164 241 Y CB 0.174 38.653 38.460 0.032 0.000 0.982 241 Y HN -0.650 7.739 8.280 0.182 0.000 0.515 242 M N -2.120 117.671 119.600 0.318 0.000 2.175 242 M HA -0.388 nan 4.480 nan 0.000 0.264 242 M C 2.577 178.969 176.300 0.154 0.000 1.063 242 M CA 1.632 57.123 55.300 0.319 0.000 1.119 242 M CB -1.417 31.382 32.600 0.331 0.000 1.377 242 M HN 0.380 8.858 8.290 0.313 0.000 0.415 243 S N 0.061 115.812 115.700 0.084 0.000 2.355 243 S HA -0.381 nan 4.470 nan 0.000 0.222 243 S C 2.126 176.706 174.600 -0.032 0.000 1.031 243 S CA 3.750 61.974 58.200 0.039 0.000 0.993 243 S CB -0.153 63.066 63.200 0.031 0.000 0.859 243 S HN -0.306 8.062 8.310 0.096 0.000 0.453 244 K N -0.131 120.210 120.400 -0.100 0.000 2.057 244 K HA -0.140 nan 4.320 nan 0.000 0.206 244 K C 1.564 178.004 176.600 -0.267 0.000 1.050 244 K CA 2.235 58.418 56.287 -0.173 0.000 0.935 244 K CB -0.409 31.969 32.500 -0.203 0.000 0.715 244 K HN -0.172 8.027 8.250 -0.085 0.000 0.439 245 A N -3.075 119.496 122.820 -0.414 0.000 1.975 245 A HA -0.097 nan 4.320 nan 0.000 0.215 245 A C 1.017 178.204 177.584 -0.663 0.000 1.170 245 A CA 1.887 53.562 52.037 -0.603 0.000 0.656 245 A CB 0.894 19.373 19.000 -0.869 0.000 0.821 245 A HN 0.215 8.007 8.150 -0.413 0.110 0.449 246 H N -5.930 113.112 119.070 -0.047 0.000 3.398 246 H HA 0.151 nan 4.556 nan 0.000 0.260 246 H C 0.003 175.337 175.328 0.009 0.000 1.189 246 H CA -0.242 55.807 56.048 0.003 0.000 1.145 246 H CB 1.931 31.722 29.762 0.048 0.000 1.599 246 H HN -0.163 7.975 8.280 -0.055 0.109 0.615 247 G N 1.249 110.091 108.800 0.070 0.000 2.295 247 G HA2 -0.375 nan 3.960 nan 0.000 0.287 247 G HA3 -0.375 nan 3.960 nan 0.000 0.287 247 G C -0.927 174.023 174.900 0.083 0.000 1.055 247 G CA 0.992 46.125 45.100 0.054 0.000 0.922 247 G HN -0.126 8.081 8.290 0.017 0.094 0.503 248 V N -0.256 119.727 119.914 0.115 0.000 2.604 248 V HA 0.100 nan 4.120 nan 0.000 0.305 248 V C -1.464 174.702 176.094 0.121 0.000 1.043 248 V CA -1.057 61.316 62.300 0.121 0.000 0.888 248 V CB 2.599 34.514 31.823 0.155 0.000 0.995 248 V HN -0.680 7.482 8.190 0.125 0.103 0.429 249 D N 6.100 126.563 120.400 0.104 0.000 2.462 249 D HA 0.457 nan 4.640 nan 0.000 0.249 249 D C -2.187 174.186 176.300 0.122 0.000 1.117 249 D CA -2.755 51.306 54.000 0.102 0.000 0.900 249 D CB 0.971 41.815 40.800 0.072 0.000 1.039 249 D HN 0.090 8.515 8.370 0.091 0.000 0.516 250 P HA 0.124 nan 4.420 nan 0.000 0.278 250 P C -1.012 176.393 177.300 0.175 0.000 1.266 250 P CA -1.046 62.172 63.100 0.198 0.000 0.807 250 P CB 1.278 33.195 31.700 0.361 0.000 1.094 251 N N -0.848 117.945 118.700 0.155 0.000 2.520 251 N HA 0.230 nan 4.740 nan 0.000 0.273 251 N C -0.795 174.818 175.510 0.172 0.000 1.155 251 N CA 0.824 53.955 53.050 0.135 0.000 0.967 251 N CB 1.024 39.582 38.487 0.118 0.000 1.092 251 N HN 0.028 8.491 8.380 0.139 0.000 0.457 252 I N 2.373 123.029 120.570 0.144 0.000 2.389 252 I HA 0.502 nan 4.170 nan 0.000 0.288 252 I C -1.341 174.844 176.117 0.113 0.000 0.999 252 I CA -1.474 59.915 61.300 0.149 0.000 1.129 252 I CB 0.515 38.587 38.000 0.119 0.000 1.288 252 I HN 0.949 9.116 8.210 0.117 0.113 0.444 253 R N 6.497 127.064 120.500 0.112 0.000 2.422 253 R HA 0.637 nan 4.340 nan 0.000 0.307 253 R C -1.534 174.811 176.300 0.076 0.000 1.004 253 R CA -1.586 54.568 56.100 0.090 0.000 0.882 253 R CB 1.131 31.489 30.300 0.096 0.000 1.164 253 R HN 0.823 9.172 8.270 0.131 0.000 0.489 254 T N 0.201 114.792 114.554 0.063 0.000 2.864 254 T HA 0.471 nan 4.350 nan 0.000 0.289 254 T C 0.283 175.007 174.700 0.040 0.000 1.082 254 T CA -2.257 59.872 62.100 0.047 0.000 1.009 254 T CB 3.437 72.328 68.868 0.038 0.000 1.234 254 T HN -0.119 8.158 8.240 0.061 0.000 0.526 255 G N -0.790 108.025 108.800 0.024 0.000 2.421 255 G HA2 -0.180 nan 3.960 nan 0.000 0.216 255 G HA3 -0.180 nan 3.960 nan 0.000 0.216 255 G C 1.197 176.111 174.900 0.024 0.000 1.171 255 G CA 2.273 47.383 45.100 0.017 0.000 0.775 255 G HN 0.455 8.755 8.290 0.016 0.000 0.543 256 V N -3.873 116.053 119.914 0.020 0.000 2.270 256 V HA -0.065 nan 4.120 nan 0.000 0.245 256 V C 0.314 176.426 176.094 0.030 0.000 1.043 256 V CA 0.651 62.965 62.300 0.024 0.000 1.014 256 V CB -0.301 31.534 31.823 0.019 0.000 0.645 256 V HN -0.618 7.580 8.190 0.015 0.000 0.447 257 R N -0.187 120.333 120.500 0.033 0.000 2.621 257 R HA 0.297 nan 4.340 nan 0.000 0.284 257 R C -1.692 174.636 176.300 0.047 0.000 0.998 257 R CA -0.511 55.611 56.100 0.037 0.000 0.895 257 R CB 3.531 33.851 30.300 0.033 0.000 1.195 257 R HN -0.327 7.962 8.270 0.032 0.000 0.450 258 T N 5.434 120.018 114.554 0.049 0.000 2.792 258 T HA 0.470 nan 4.350 nan 0.000 0.280 258 T C -0.872 173.862 174.700 0.056 0.000 0.990 258 T CA -0.196 61.939 62.100 0.058 0.000 0.960 258 T CB 1.013 69.916 68.868 0.058 0.000 0.939 258 T HN 0.315 8.582 8.240 0.045 0.000 0.439 259 I N 8.400 129.009 120.570 0.065 0.000 2.448 259 I HA 0.221 nan 4.170 nan 0.000 0.281 259 I C -1.267 174.892 176.117 0.069 0.000 1.027 259 I CA -0.860 60.477 61.300 0.061 0.000 1.111 259 I CB 2.614 40.651 38.000 0.063 0.000 1.236 259 I HN 1.001 9.142 8.210 0.075 0.114 0.452 260 T N 9.349 123.938 114.554 0.059 0.000 2.744 260 T HA 0.278 nan 4.350 nan 0.000 0.291 260 T C -0.300 174.432 174.700 0.054 0.000 0.957 260 T CA 0.409 62.545 62.100 0.060 0.000 1.002 260 T CB 0.593 69.492 68.868 0.050 0.000 0.919 260 T HN 0.425 8.695 8.240 0.051 0.000 0.468 261 T N 6.425 121.015 114.554 0.061 0.000 2.971 261 T HA 0.194 nan 4.350 nan 0.000 0.252 261 T C 1.168 175.896 174.700 0.046 0.000 1.022 261 T CA 0.068 62.201 62.100 0.055 0.000 0.980 261 T CB 0.938 69.847 68.868 0.067 0.000 1.044 261 T HN 0.790 9.444 8.240 0.070 -0.371 0.501 262 G N 1.773 110.601 108.800 0.047 0.000 2.141 262 G HA2 -0.377 nan 3.960 nan 0.000 0.242 262 G HA3 -0.377 nan 3.960 nan 0.000 0.242 262 G C -1.172 173.752 174.900 0.039 0.000 0.982 262 G CA 0.008 45.129 45.100 0.036 0.000 0.662 262 G HN -0.011 8.609 8.290 0.054 -0.298 0.527 263 S N 0.342 116.074 115.700 0.054 0.000 2.592 263 S HA 0.187 nan 4.470 nan 0.000 0.271 263 S C -0.002 174.631 174.600 0.055 0.000 1.326 263 S CA -3.005 55.229 58.200 0.057 0.000 1.024 263 S CB 1.302 64.548 63.200 0.076 0.000 0.921 263 S HN -0.747 7.667 8.310 0.062 -0.067 0.527 264 P HA 0.067 nan 4.420 nan 0.000 0.231 264 P C -1.254 176.079 177.300 0.055 0.000 1.168 264 P CA 0.706 63.837 63.100 0.052 0.000 0.779 264 P CB 0.485 32.212 31.700 0.046 0.000 0.844 265 I N -0.716 119.872 120.570 0.030 0.000 2.385 265 I HA 0.281 nan 4.170 nan 0.000 0.294 265 I C -1.631 174.459 176.117 -0.045 0.000 0.988 265 I CA -0.433 60.837 61.300 -0.050 0.000 1.265 265 I CB 1.448 39.403 38.000 -0.074 0.000 1.388 265 I HN -0.633 7.560 8.210 0.044 0.043 0.480 266 T N 7.699 122.157 114.554 -0.160 0.000 2.881 266 T HA 0.633 nan 4.350 nan 0.000 0.291 266 T C -1.643 172.877 174.700 -0.300 0.000 0.990 266 T CA -0.518 61.527 62.100 -0.092 0.000 0.976 266 T CB 1.815 70.720 68.868 0.062 0.000 0.970 266 T HN 0.719 8.799 8.240 -0.266 0.000 0.438 267 Y N 6.276 126.539 120.300 -0.063 0.000 2.342 267 Y HA 0.713 nan 4.550 nan 0.000 0.334 267 Y C -1.847 174.014 175.900 -0.064 0.000 1.067 267 Y CA -1.174 56.866 58.100 -0.099 0.000 1.128 267 Y CB 2.272 40.731 38.460 -0.002 0.000 1.200 267 Y HN 0.976 9.381 8.280 0.208 0.000 0.464 268 S N 0.746 116.453 115.700 0.012 0.000 2.550 268 S HA 0.659 nan 4.470 nan 0.000 0.270 268 S C -1.442 173.103 174.600 -0.092 0.000 1.145 268 S CA -1.222 56.969 58.200 -0.014 0.000 0.852 268 S CB 2.795 65.973 63.200 -0.037 0.000 1.119 268 S HN 0.694 8.963 8.310 -0.068 0.000 0.465 269 T N 1.263 115.797 114.554 -0.034 0.000 2.849 269 T HA 0.518 nan 4.350 nan 0.000 0.284 269 T C 1.367 176.021 174.700 -0.076 0.000 1.004 269 T CA -0.848 61.224 62.100 -0.047 0.000 1.021 269 T CB 0.823 69.709 68.868 0.030 0.000 1.013 269 T HN -0.056 8.195 8.240 0.018 0.000 0.527 270 Y N 2.607 122.893 120.300 -0.023 0.000 2.293 270 Y HA -0.316 nan 4.550 nan 0.000 0.291 270 Y C 1.889 177.791 175.900 0.003 0.000 1.137 270 Y CA 4.515 62.602 58.100 -0.022 0.000 1.202 270 Y CB -0.504 37.907 38.460 -0.081 0.000 0.990 270 Y HN -0.177 8.189 8.280 0.144 0.000 0.537 271 G N -1.612 107.267 108.800 0.133 0.000 2.459 271 G HA2 -0.483 nan 3.960 nan 0.000 0.217 271 G HA3 -0.483 nan 3.960 nan 0.000 0.217 271 G C 1.206 176.164 174.900 0.097 0.000 1.183 271 G CA 1.794 46.946 45.100 0.086 0.000 0.776 271 G HN 0.261 8.624 8.290 0.142 0.013 0.552 272 K N 2.928 123.383 120.400 0.092 0.000 2.057 272 K HA -0.273 nan 4.320 nan 0.000 0.207 272 K C 1.734 178.395 176.600 0.101 0.000 1.049 272 K CA 1.651 57.994 56.287 0.093 0.000 0.931 272 K CB -0.376 32.170 32.500 0.078 0.000 0.714 272 K HN -0.580 7.715 8.250 0.076 0.000 0.440 273 F N 0.336 120.258 119.950 -0.047 0.000 2.069 273 F HA -0.372 nan 4.527 nan 0.000 0.298 273 F C 1.699 177.457 175.800 -0.071 0.000 1.113 273 F CA 3.455 61.418 58.000 -0.062 0.000 1.214 273 F CB -0.039 38.894 39.000 -0.112 0.000 0.978 273 F HN -0.571 7.856 8.300 0.212 0.000 0.474 274 L N -2.468 118.645 121.223 -0.184 0.000 2.042 274 L HA -0.482 nan 4.340 nan 0.000 0.210 274 L C 2.736 179.463 176.870 -0.240 0.000 1.076 274 L CA 3.024 57.594 54.840 -0.450 0.000 0.749 274 L CB -0.542 40.955 42.059 -0.937 0.000 0.893 274 L HN 0.111 8.366 8.230 0.041 0.000 0.432 275 A N -1.337 121.488 122.820 0.008 0.000 2.014 275 A HA -0.231 nan 4.320 nan 0.000 0.218 275 A C 1.137 178.751 177.584 0.051 0.000 1.163 275 A CA 2.677 54.823 52.037 0.183 0.000 0.652 275 A CB -0.631 18.504 19.000 0.226 0.000 0.808 275 A HN 0.128 8.194 8.150 0.012 0.091 0.449 276 D N -4.198 116.180 120.400 -0.037 0.000 2.349 276 D HA 0.039 nan 4.640 nan 0.000 0.224 276 D C 0.110 176.342 176.300 -0.113 0.000 1.029 276 D CA 0.248 54.219 54.000 -0.047 0.000 0.879 276 D CB 0.127 40.918 40.800 -0.015 0.000 0.906 276 D HN -0.145 8.049 8.370 -0.070 0.135 0.528 277 G N -2.788 105.908 108.800 -0.172 0.000 2.144 277 G HA2 -0.345 nan 3.960 nan 0.000 0.218 277 G HA3 -0.345 nan 3.960 nan 0.000 0.218 277 G C -0.237 174.469 174.900 -0.324 0.000 0.988 277 G CA -0.257 44.734 45.100 -0.181 0.000 0.659 277 G HN -0.699 7.297 8.290 -0.167 0.194 0.522 281 G N 1.987 110.759 108.800 -0.047 0.000 2.744 281 G HA2 0.010 nan 3.960 nan 0.000 0.211 281 G HA3 0.010 nan 3.960 nan 0.000 0.211 281 G C -0.686 174.226 174.900 0.020 0.000 1.143 281 G CA 0.569 45.660 45.100 -0.015 0.000 0.788 281 G HN -0.004 8.124 8.290 -0.077 0.116 0.534 282 G N -3.002 105.775 108.800 -0.038 0.000 2.466 282 G HA2 -0.004 nan 3.960 nan 0.000 0.291 282 G HA3 -0.004 nan 3.960 nan 0.000 0.291 282 G C -2.445 172.112 174.900 -0.571 0.000 1.460 282 G CA -0.100 44.790 45.100 -0.350 0.000 0.791 282 G HN -0.761 7.472 8.290 -0.006 0.053 0.505 283 A N 0.371 122.743 122.820 -0.746 0.000 2.285 283 A HA 0.506 nan 4.320 nan 0.000 0.310 283 A C -1.634 175.608 177.584 -0.571 0.000 1.266 283 A CA -0.393 51.366 52.037 -0.464 0.000 0.832 283 A CB 0.940 19.799 19.000 -0.235 0.000 1.163 283 A HN 0.005 7.707 8.150 -0.746 0.000 0.499 284 Y N 0.663 120.969 120.300 0.010 0.000 2.462 284 Y HA 0.139 nan 4.550 nan 0.000 0.346 284 Y C -0.815 175.079 175.900 -0.010 0.000 0.976 284 Y CA -1.097 56.999 58.100 -0.008 0.000 1.044 284 Y CB 2.395 40.838 38.460 -0.028 0.000 1.230 284 Y HN -0.017 8.258 8.280 -0.009 0.000 0.455 285 D N 1.147 121.629 120.400 0.137 0.000 2.216 285 D HA 0.108 nan 4.640 nan 0.000 0.208 285 D C -0.459 175.808 176.300 -0.055 0.000 0.960 285 D CA 2.829 56.868 54.000 0.065 0.000 0.861 285 D CB 1.865 42.753 40.800 0.147 0.000 0.985 285 D HN 0.493 8.853 8.370 0.156 0.104 0.493 286 I N -1.380 119.120 120.570 -0.118 0.000 2.498 286 I HA 0.456 nan 4.170 nan 0.000 0.290 286 I C -2.087 173.891 176.117 -0.231 0.000 1.032 286 I CA -0.504 60.629 61.300 -0.279 0.000 1.073 286 I CB 3.485 41.141 38.000 -0.572 0.000 1.251 286 I HN -0.390 7.798 8.210 -0.036 0.000 0.426 287 I N 6.544 126.975 120.570 -0.232 0.000 2.410 287 I HA 0.480 nan 4.170 nan 0.000 0.286 287 I C -1.421 174.539 176.117 -0.262 0.000 1.009 287 I CA -0.905 60.231 61.300 -0.273 0.000 1.111 287 I CB 2.114 39.972 38.000 -0.236 0.000 1.262 287 I HN 0.659 8.740 8.210 -0.215 0.000 0.443 288 I N 7.450 127.849 120.570 -0.286 0.000 2.297 288 I HA 0.376 nan 4.170 nan 0.000 0.291 288 I C -1.071 174.909 176.117 -0.229 0.000 1.033 288 I CA -2.176 58.995 61.300 -0.215 0.000 1.253 288 I CB -0.630 37.258 38.000 -0.187 0.000 1.396 288 I HN 1.069 9.074 8.210 -0.343 0.000 0.476 289 C N 9.627 128.840 119.300 -0.146 0.000 2.145 289 C HA 0.136 nan 4.460 nan 0.000 0.374 289 C C -0.488 174.516 174.990 0.022 0.000 1.035 289 C CA -0.635 58.355 59.018 -0.046 0.000 1.431 289 C CB -2.010 25.747 27.740 0.028 0.000 1.789 289 C HN 1.164 9.211 8.230 -0.131 0.105 0.483 290 D N 3.975 124.365 120.400 -0.015 0.000 2.372 290 D HA -0.058 nan 4.640 nan 0.000 0.243 290 D C -0.049 176.312 176.300 0.101 0.000 1.121 290 D CA 0.744 54.762 54.000 0.031 0.000 0.898 290 D CB 1.243 42.036 40.800 -0.012 0.000 1.202 290 D HN 0.220 8.513 8.370 -0.128 0.000 0.428 291 E N 0.245 120.494 120.200 0.082 0.000 2.360 291 E HA -0.478 nan 4.350 nan 0.000 0.238 291 E C 1.091 177.557 176.600 -0.224 0.000 1.186 291 E CA 1.051 57.426 56.400 -0.043 0.000 0.719 291 E CB -3.254 26.402 29.700 -0.074 0.000 1.236 291 E HN 0.125 8.549 8.360 0.106 0.000 0.386 292 C N -4.258 115.027 119.300 -0.025 0.000 2.460 292 C HA -0.137 nan 4.460 nan 0.000 0.291 292 C C 0.567 175.535 174.990 -0.036 0.000 1.493 292 C CA 1.502 60.503 59.018 -0.027 0.000 1.748 292 C CB -1.900 25.863 27.740 0.038 0.000 1.656 292 C HN 0.189 8.452 8.230 0.065 0.006 0.576 293 H N -2.225 116.867 119.070 0.038 0.000 2.551 293 H HA 0.069 nan 4.556 nan 0.000 0.266 293 H C 0.133 175.464 175.328 0.004 0.000 0.964 293 H CA 0.064 56.131 56.048 0.031 0.000 1.180 293 H CB -0.429 29.343 29.762 0.017 0.000 1.408 293 H HN -0.353 7.623 8.280 -0.312 0.117 0.563 294 S N 1.896 117.307 115.700 -0.483 0.000 2.544 294 S HA -0.117 nan 4.470 nan 0.000 0.290 294 S C 0.794 175.246 174.600 -0.247 0.000 1.276 294 S CA 1.397 59.409 58.200 -0.314 0.000 1.075 294 S CB 0.719 63.708 63.200 -0.352 0.000 0.849 294 S HN -0.209 7.665 8.310 -0.642 0.050 0.494 295 T N -2.174 112.255 114.554 -0.208 0.000 3.176 295 T HA 0.206 nan 4.350 nan 0.000 0.263 295 T C -0.785 173.673 174.700 -0.404 0.000 1.021 295 T CA -1.384 60.485 62.100 -0.385 0.000 0.905 295 T CB -0.121 68.616 68.868 -0.219 0.000 1.057 295 T HN 0.238 8.410 8.240 -0.113 0.000 0.558 296 D N -0.620 119.599 120.400 -0.302 0.000 2.341 296 D HA -0.016 nan 4.640 nan 0.000 0.245 296 D C 0.456 176.555 176.300 -0.335 0.000 1.106 296 D CA -0.533 53.313 54.000 -0.256 0.000 0.905 296 D CB 0.875 41.566 40.800 -0.181 0.000 1.202 296 D HN -0.753 7.381 8.370 -0.274 0.072 0.426 297 A N 1.792 124.435 122.820 -0.294 0.000 1.927 297 A HA -0.440 nan 4.320 nan 0.000 0.220 297 A C 2.024 179.439 177.584 -0.282 0.000 1.185 297 A CA 3.490 55.346 52.037 -0.303 0.000 0.639 297 A CB -0.538 18.311 19.000 -0.251 0.000 0.820 297 A HN 0.739 8.740 8.150 -0.249 0.000 0.451 298 T N -0.067 114.357 114.554 -0.216 0.000 2.788 298 T HA -0.269 nan 4.350 nan 0.000 0.268 298 T C 2.569 177.093 174.700 -0.294 0.000 1.044 298 T CA 4.364 66.362 62.100 -0.171 0.000 1.139 298 T CB -0.761 68.058 68.868 -0.081 0.000 0.867 298 T HN 0.263 8.429 8.240 -0.194 -0.042 0.454 299 S N 2.405 117.843 115.700 -0.436 0.000 2.371 299 S HA -0.158 nan 4.470 nan 0.000 0.224 299 S C 1.626 175.807 174.600 -0.699 0.000 1.029 299 S CA 3.605 61.301 58.200 -0.840 0.000 0.978 299 S CB -0.710 62.063 63.200 -0.711 0.000 0.833 299 S HN -0.502 7.822 8.310 -0.360 -0.231 0.466 300 I N 1.922 122.147 120.570 -0.574 0.000 2.226 300 I HA -0.465 nan 4.170 nan 0.000 0.245 300 I C 1.581 177.400 176.117 -0.495 0.000 1.100 300 I CA 4.226 65.112 61.300 -0.691 0.000 1.374 300 I CB -0.116 37.326 38.000 -0.929 0.000 1.057 300 I HN -0.393 7.492 8.210 -0.543 0.000 0.413 301 L N -0.651 120.343 121.223 -0.382 0.000 2.093 301 L HA -0.235 nan 4.340 nan 0.000 0.208 301 L C 1.965 178.743 176.870 -0.153 0.000 1.085 301 L CA 2.902 57.585 54.840 -0.262 0.000 0.755 301 L CB -0.549 41.363 42.059 -0.246 0.000 0.904 301 L HN 0.221 8.217 8.230 -0.390 0.000 0.435 302 G N -1.118 107.597 108.800 -0.141 0.000 2.402 302 G HA2 -0.341 nan 3.960 nan 0.000 0.216 302 G HA3 -0.341 nan 3.960 nan 0.000 0.216 302 G C 1.194 176.175 174.900 0.135 0.000 1.162 302 G CA 2.224 47.389 45.100 0.107 0.000 0.777 302 G HN -0.150 7.992 8.290 -0.247 0.000 0.539 303 I N 2.174 122.734 120.570 -0.017 0.000 2.179 303 I HA -0.496 nan 4.170 nan 0.000 0.242 303 I C 1.746 177.950 176.117 0.145 0.000 1.088 303 I CA 3.652 65.003 61.300 0.086 0.000 1.357 303 I CB -0.187 37.877 38.000 0.106 0.000 1.051 303 I HN 0.335 8.411 8.210 -0.224 0.000 0.409 304 G N -1.182 107.720 108.800 0.169 0.000 2.442 304 G HA2 -0.415 nan 3.960 nan 0.000 0.219 304 G HA3 -0.415 nan 3.960 nan 0.000 0.219 304 G C 1.026 175.986 174.900 0.099 0.000 1.141 304 G CA 2.589 47.785 45.100 0.160 0.000 0.763 304 G HN -0.012 8.342 8.290 0.107 0.000 0.554 305 T N 5.398 120.007 114.554 0.092 0.000 2.652 305 T HA -0.364 nan 4.350 nan 0.000 0.267 305 T C 2.098 176.896 174.700 0.164 0.000 1.039 305 T CA 4.995 67.163 62.100 0.113 0.000 1.153 305 T CB -0.453 68.508 68.868 0.154 0.000 0.863 305 T HN -0.312 7.887 8.240 0.074 0.085 0.428 306 V N 2.228 122.270 119.914 0.215 0.000 2.252 306 V HA -0.419 nan 4.120 nan 0.000 0.249 306 V C 1.832 177.987 176.094 0.101 0.000 1.056 306 V CA 4.744 67.137 62.300 0.154 0.000 1.022 306 V CB -0.969 30.868 31.823 0.023 0.000 0.641 306 V HN -0.256 8.073 8.190 0.231 0.000 0.445 307 L N -2.378 118.900 121.223 0.092 0.000 2.079 307 L HA -0.450 nan 4.340 nan 0.000 0.210 307 L C 2.076 178.984 176.870 0.064 0.000 1.081 307 L CA 3.037 57.931 54.840 0.090 0.000 0.752 307 L CB -0.558 41.545 42.059 0.074 0.000 0.896 307 L HN 0.240 8.528 8.230 0.096 0.000 0.433 308 D N -2.477 117.954 120.400 0.053 0.000 2.137 308 D HA -0.131 nan 4.640 nan 0.000 0.202 308 D C 1.970 178.260 176.300 -0.017 0.000 0.970 308 D CA 2.608 56.621 54.000 0.022 0.000 0.837 308 D CB 0.840 41.657 40.800 0.028 0.000 0.981 308 D HN -0.329 7.982 8.370 0.070 0.102 0.475 309 Q N -1.309 118.492 119.800 0.002 0.000 2.204 309 Q HA -0.079 nan 4.340 nan 0.000 0.198 309 Q C 2.241 178.201 176.000 -0.067 0.000 0.946 309 Q CA 1.789 57.581 55.803 -0.020 0.000 0.859 309 Q CB 0.743 29.496 28.738 0.024 0.000 0.946 309 Q HN 0.017 8.311 8.270 0.040 0.000 0.474 310 A N -0.137 122.651 122.820 -0.052 0.000 1.873 310 A HA -0.478 nan 4.320 nan 0.000 0.219 310 A C 1.675 179.059 177.584 -0.334 0.000 1.269 310 A CA 3.642 55.620 52.037 -0.100 0.000 0.671 310 A CB -1.137 17.882 19.000 0.032 0.000 0.842 310 A HN 0.380 8.426 8.150 0.008 0.109 0.460 311 E N -1.929 117.780 120.200 -0.818 0.000 2.049 311 E HA -0.383 nan 4.350 nan 0.000 0.198 311 E C 2.698 179.068 176.600 -0.384 0.000 1.007 311 E CA 3.372 59.199 56.400 -0.955 0.000 0.809 311 E CB -0.338 28.619 29.700 -1.238 0.000 0.749 311 E HN 0.454 8.281 8.360 -0.889 0.000 0.450 312 T N 0.932 115.325 114.554 -0.269 0.000 2.849 312 T HA -0.235 nan 4.350 nan 0.000 0.270 312 T C 1.242 175.881 174.700 -0.102 0.000 1.066 312 T CA 2.981 64.994 62.100 -0.145 0.000 1.130 312 T CB -0.608 68.197 68.868 -0.104 0.000 0.864 312 T HN 0.133 8.200 8.240 -0.289 0.000 0.481 313 A N -1.063 121.697 122.820 -0.099 0.000 2.238 313 A HA 0.159 nan 4.320 nan 0.000 0.208 313 A C 0.217 177.776 177.584 -0.042 0.000 1.177 313 A CA -0.236 51.770 52.037 -0.051 0.000 0.804 313 A CB -0.062 18.929 19.000 -0.014 0.000 0.823 313 A HN -0.419 7.521 8.150 -0.131 0.132 0.482 314 G N -2.387 106.374 108.800 -0.064 0.000 2.142 314 G HA2 -0.327 nan 3.960 nan 0.000 0.225 314 G HA3 -0.327 nan 3.960 nan 0.000 0.225 314 G C -0.678 174.230 174.900 0.013 0.000 1.015 314 G CA -0.174 44.909 45.100 -0.028 0.000 0.716 314 G HN -0.199 7.816 8.290 -0.111 0.209 0.508 315 A N -1.147 121.684 122.820 0.018 0.000 2.304 315 A HA 0.170 nan 4.320 nan 0.000 0.271 315 A C -1.471 176.234 177.584 0.201 0.000 1.091 315 A CA -0.495 51.602 52.037 0.100 0.000 0.812 315 A CB 0.980 20.059 19.000 0.132 0.000 1.056 315 A HN -0.502 7.617 8.150 -0.052 0.000 0.489 316 R N -0.629 119.946 120.500 0.125 0.000 2.167 316 R HA 0.204 nan 4.340 nan 0.000 0.201 316 R C -1.001 175.266 176.300 -0.054 0.000 1.024 316 R CA 0.438 56.581 56.100 0.072 0.000 1.053 316 R CB 2.635 32.896 30.300 -0.065 0.000 0.987 316 R HN 0.582 8.757 8.270 0.045 0.122 0.493 317 L N -4.326 116.812 121.223 -0.142 0.000 2.445 317 L HA 0.606 nan 4.340 nan 0.000 0.262 317 L C -2.755 173.975 176.870 -0.235 0.000 0.974 317 L CA -0.313 54.339 54.840 -0.313 0.000 0.822 317 L CB 4.148 45.959 42.059 -0.413 0.000 1.339 317 L HN -0.404 7.766 8.230 -0.100 0.000 0.409 318 V N 6.437 126.181 119.914 -0.283 0.000 2.444 318 V HA 0.603 nan 4.120 nan 0.000 0.294 318 V C -1.880 174.074 176.094 -0.234 0.000 1.022 318 V CA -1.060 61.131 62.300 -0.181 0.000 0.850 318 V CB 2.484 34.276 31.823 -0.052 0.000 0.992 318 V HN 0.125 8.050 8.190 -0.443 0.000 0.426 319 V N 7.612 127.406 119.914 -0.200 0.000 2.409 319 V HA 0.727 nan 4.120 nan 0.000 0.291 319 V C -1.248 174.755 176.094 -0.152 0.000 1.020 319 V CA -1.465 60.730 62.300 -0.174 0.000 0.848 319 V CB 1.817 33.578 31.823 -0.104 0.000 0.990 319 V HN 1.066 9.141 8.190 -0.191 0.000 0.430 320 L N 6.238 127.348 121.223 -0.187 0.000 2.272 320 L HA 0.596 nan 4.340 nan 0.000 0.284 320 L C -1.449 175.417 176.870 -0.007 0.000 1.045 320 L CA -1.099 53.667 54.840 -0.122 0.000 0.842 320 L CB -0.650 41.269 42.059 -0.234 0.000 1.224 320 L HN 1.080 9.043 8.230 -0.263 0.109 0.430 321 A N 5.306 128.146 122.820 0.033 0.000 2.305 321 A HA 0.833 nan 4.320 nan 0.000 0.322 321 A C -2.156 175.520 177.584 0.154 0.000 1.187 321 A CA -1.460 50.632 52.037 0.091 0.000 0.825 321 A CB 2.589 21.616 19.000 0.046 0.000 1.164 321 A HN 0.469 8.626 8.150 0.011 0.000 0.498 322 T N 1.619 116.299 114.554 0.210 0.000 3.003 322 T HA 0.239 nan 4.350 nan 0.000 0.354 322 T C -1.282 173.505 174.700 0.145 0.000 1.651 322 T CA -0.362 61.873 62.100 0.226 0.000 1.103 322 T CB 2.088 71.131 68.868 0.293 0.000 1.450 322 T HN 0.204 8.585 8.240 0.236 0.000 0.484 323 A N 5.587 128.453 122.820 0.076 0.000 2.132 323 A HA 0.313 nan 4.320 nan 0.000 0.213 323 A C -0.025 177.511 177.584 -0.079 0.000 1.154 323 A CA 1.047 53.088 52.037 0.007 0.000 0.753 323 A CB 0.887 19.886 19.000 -0.001 0.000 0.826 323 A HN 0.652 8.863 8.150 0.102 0.000 0.469 324 T N -2.832 111.641 114.554 -0.136 0.000 3.327 324 T HA 0.539 nan 4.350 nan 0.000 0.373 324 T C -1.803 172.797 174.700 -0.166 0.000 1.589 324 T CA -3.882 58.094 62.100 -0.206 0.000 1.497 324 T CB -0.347 68.325 68.868 -0.327 0.000 1.032 324 T HN -0.586 7.555 8.240 -0.092 0.044 0.640 325 P HA 0.332 nan 4.420 nan 0.000 0.273 325 P C -2.151 175.071 177.300 -0.131 0.000 1.250 325 P CA -1.799 61.156 63.100 -0.241 0.000 0.793 325 P CB -1.101 30.187 31.700 -0.687 0.000 1.011 326 P HA -0.346 nan 4.420 nan 0.000 0.265 326 P C 0.026 177.294 177.300 -0.053 0.000 1.187 326 P CA 0.755 63.841 63.100 -0.023 0.000 0.766 326 P CB -0.174 31.531 31.700 0.008 0.000 0.820 327 G N 3.941 112.719 108.800 -0.037 0.000 2.157 327 G HA2 -0.411 nan 3.960 nan 0.000 0.248 327 G HA3 -0.411 nan 3.960 nan 0.000 0.248 327 G C -0.094 174.771 174.900 -0.058 0.000 0.979 327 G CA 0.053 45.127 45.100 -0.043 0.000 0.650 327 G HN 0.768 8.921 8.290 -0.020 0.125 0.529 328 S N 0.621 116.277 115.700 -0.072 0.000 2.593 328 S HA 0.041 nan 4.470 nan 0.000 0.269 328 S C -1.373 173.183 174.600 -0.074 0.000 1.334 328 S CA 1.047 59.195 58.200 -0.086 0.000 1.015 328 S CB 1.087 64.220 63.200 -0.113 0.000 0.912 328 S HN -0.610 7.603 8.310 -0.071 0.054 0.541 329 V N -4.844 115.024 119.914 -0.076 0.000 3.078 329 V HA 0.573 nan 4.120 nan 0.000 0.311 329 V C -0.514 175.529 176.094 -0.084 0.000 1.138 329 V CA -2.535 59.721 62.300 -0.074 0.000 1.007 329 V CB 4.112 35.898 31.823 -0.062 0.000 1.045 329 V HN -0.188 7.954 8.190 -0.079 0.000 0.432 330 T N 5.312 119.809 114.554 -0.094 0.000 2.782 330 T HA 0.118 nan 4.350 nan 0.000 0.298 330 T C 0.205 174.851 174.700 -0.090 0.000 0.944 330 T CA 0.455 62.491 62.100 -0.107 0.000 1.001 330 T CB -1.491 67.289 68.868 -0.147 0.000 0.932 330 T HN 0.078 8.772 8.240 -0.095 -0.512 0.524 331 V N 8.023 127.897 119.914 -0.068 0.000 2.785 331 V HA 0.346 nan 4.120 nan 0.000 0.300 331 V C -1.384 174.694 176.094 -0.028 0.000 1.062 331 V CA -3.024 59.248 62.300 -0.047 0.000 1.029 331 V CB 0.433 32.231 31.823 -0.042 0.000 1.024 331 V HN 0.146 8.295 8.190 -0.068 0.000 0.477 332 P HA -0.085 nan 4.420 nan 0.000 0.264 332 P C -1.792 175.536 177.300 0.046 0.000 1.173 332 P CA 0.757 63.869 63.100 0.021 0.000 0.761 332 P CB 0.276 31.986 31.700 0.017 0.000 0.794 333 H N 5.357 124.410 119.070 -0.028 0.000 2.492 333 H HA 0.333 nan 4.556 nan 0.000 0.345 333 H C -0.116 175.210 175.328 -0.002 0.000 1.136 333 H CA -2.238 53.797 56.048 -0.022 0.000 1.202 333 H CB 1.862 31.604 29.762 -0.033 0.000 1.524 333 H HN 0.237 8.607 8.280 0.151 0.000 0.506 334 P HA -0.168 nan 4.420 nan 0.000 0.213 334 P C -0.341 177.085 177.300 0.211 0.000 1.170 334 P CA 2.095 65.202 63.100 0.012 0.000 0.902 334 P CB 0.294 31.912 31.700 -0.136 0.000 0.789 335 N N -4.049 114.921 118.700 0.449 0.000 2.449 335 N HA 0.012 nan 4.740 nan 0.000 0.191 335 N C -1.811 173.786 175.510 0.144 0.000 1.161 335 N CA 0.338 53.549 53.050 0.269 0.000 0.863 335 N CB 0.071 38.711 38.487 0.254 0.000 0.980 335 N HN 0.373 9.082 8.380 0.548 0.000 0.458 336 I N -0.900 119.769 120.570 0.165 0.000 2.420 336 I HA 0.208 nan 4.170 nan 0.000 0.282 336 I C -1.940 174.242 176.117 0.108 0.000 1.019 336 I CA -1.021 60.312 61.300 0.056 0.000 1.130 336 I CB 0.820 38.765 38.000 -0.091 0.000 1.262 336 I HN -0.725 7.595 8.210 0.296 0.068 0.454 337 E N 8.430 128.698 120.200 0.114 0.000 2.259 337 E HA 0.023 nan 4.350 nan 0.000 0.281 337 E C -1.281 175.427 176.600 0.180 0.000 1.037 337 E CA -0.857 55.618 56.400 0.125 0.000 0.854 337 E CB 1.675 31.434 29.700 0.099 0.000 1.051 337 E HN 0.252 8.673 8.360 0.102 0.000 0.409 338 E N 4.884 125.214 120.200 0.217 0.000 2.166 338 E HA 0.625 nan 4.350 nan 0.000 0.275 338 E C -1.489 175.298 176.600 0.312 0.000 0.941 338 E CA -1.037 55.573 56.400 0.350 0.000 0.784 338 E CB 2.239 32.190 29.700 0.418 0.000 1.115 338 E HN 0.222 8.691 8.360 0.182 0.000 0.399 339 V N 3.087 123.139 119.914 0.231 0.000 2.668 339 V HA 0.354 nan 4.120 nan 0.000 0.304 339 V C -2.087 173.722 176.094 -0.475 0.000 1.071 339 V CA -1.697 60.602 62.300 -0.001 0.000 0.894 339 V CB 3.774 35.583 31.823 -0.024 0.000 1.008 339 V HN 0.898 9.218 8.190 0.217 0.000 0.425 340 A N 7.442 129.809 122.820 -0.755 0.000 2.498 340 A HA 0.256 nan 4.320 nan 0.000 0.239 340 A C -0.450 176.789 177.584 -0.574 0.000 1.068 340 A CA 0.452 51.770 52.037 -1.199 0.000 0.766 340 A CB 0.221 18.845 19.000 -0.626 0.000 1.003 340 A HN 0.222 8.173 8.150 -0.332 0.000 0.497 341 L N 2.211 123.137 121.223 -0.495 0.000 2.439 341 L HA 0.339 nan 4.340 nan 0.000 0.261 341 L C -0.210 176.568 176.870 -0.152 0.000 1.153 341 L CA 0.068 54.765 54.840 -0.239 0.000 0.808 341 L CB 0.673 42.649 42.059 -0.137 0.000 1.126 341 L HN 0.171 8.023 8.230 -0.629 0.000 0.460 342 S N -0.365 115.282 115.700 -0.090 0.000 2.795 342 S HA 0.309 nan 4.470 nan 0.000 0.308 342 S C 0.448 175.036 174.600 -0.019 0.000 1.098 342 S CA -0.957 57.212 58.200 -0.051 0.000 0.934 342 S CB 1.958 65.129 63.200 -0.047 0.000 1.300 342 S HN 0.256 8.515 8.310 -0.086 0.000 0.566 343 T N -5.734 108.814 114.554 -0.010 0.000 3.100 343 T HA 0.030 nan 4.350 nan 0.000 0.253 343 T C 0.484 175.183 174.700 -0.001 0.000 1.118 343 T CA 0.542 62.644 62.100 0.002 0.000 1.058 343 T CB -0.238 68.632 68.868 0.003 0.000 0.953 343 T HN 0.058 8.290 8.240 -0.013 0.000 0.515 344 T N 5.904 120.451 114.554 -0.011 0.000 2.749 344 T HA 0.141 nan 4.350 nan 0.000 0.295 344 T C -1.375 173.314 174.700 -0.018 0.000 0.936 344 T CA 1.090 63.182 62.100 -0.014 0.000 1.060 344 T CB 0.188 69.045 68.868 -0.018 0.000 0.904 344 T HN -0.605 7.570 8.240 -0.018 0.054 0.500 345 G N 3.967 112.760 108.800 -0.013 0.000 2.358 345 G HA2 -0.009 nan 3.960 nan 0.000 0.301 345 G HA3 -0.009 nan 3.960 nan 0.000 0.301 345 G C -1.284 173.611 174.900 -0.008 0.000 1.539 345 G CA 0.514 45.603 45.100 -0.017 0.000 0.893 345 G HN -0.544 7.742 8.290 -0.007 0.000 0.636 346 E N 0.112 120.304 120.200 -0.012 0.000 2.158 346 E HA -0.027 nan 4.350 nan 0.000 0.191 346 E C 0.529 177.133 176.600 0.007 0.000 0.982 346 E CA 1.122 57.520 56.400 -0.005 0.000 0.823 346 E CB 0.673 30.366 29.700 -0.010 0.000 0.766 346 E HN 0.059 8.405 8.360 -0.023 0.000 0.468 347 I N -0.124 120.453 120.570 0.011 0.000 2.328 347 I HA 0.257 nan 4.170 nan 0.000 0.287 347 I C -2.387 173.781 176.117 0.084 0.000 1.012 347 I CA -2.983 58.340 61.300 0.039 0.000 1.195 347 I CB 0.528 38.548 38.000 0.033 0.000 1.350 347 I HN -0.292 7.917 8.210 -0.003 0.000 0.464 348 P HA 0.058 nan 4.420 nan 0.000 0.267 348 P C -1.655 175.760 177.300 0.191 0.000 1.205 348 P CA 0.148 63.304 63.100 0.093 0.000 0.765 348 P CB 0.120 31.842 31.700 0.036 0.000 0.828 349 F N 6.496 126.464 119.950 0.029 0.000 2.941 349 F HA 0.264 nan 4.527 nan 0.000 0.359 349 F C -1.419 174.505 175.800 0.207 0.000 1.231 349 F CA -0.281 57.786 58.000 0.112 0.000 1.089 349 F CB 2.406 41.486 39.000 0.133 0.000 1.407 349 F HN 0.661 8.970 8.300 0.218 0.121 0.538 350 Y N 5.001 125.070 120.300 -0.386 0.000 3.078 350 Y HA -0.431 nan 4.550 nan 0.000 0.202 350 Y C -0.047 175.776 175.900 -0.128 0.000 1.322 350 Y CA 0.327 58.235 58.100 -0.320 0.000 1.118 350 Y CB -1.976 36.186 38.460 -0.497 0.000 1.343 350 Y HN 0.648 8.594 8.280 -0.557 0.000 0.499 351 G N -5.922 102.875 108.800 -0.004 0.000 2.299 351 G HA2 -0.337 nan 3.960 nan 0.000 0.237 351 G HA3 -0.337 nan 3.960 nan 0.000 0.237 351 G C -0.698 174.229 174.900 0.045 0.000 1.027 351 G CA -0.183 44.928 45.100 0.019 0.000 0.619 351 G HN 0.075 8.331 8.290 -0.056 0.000 0.513 352 K N 1.581 122.035 120.400 0.090 0.000 2.512 352 K HA 0.859 nan 4.320 nan 0.000 0.272 352 K C -1.978 174.694 176.600 0.119 0.000 1.033 352 K CA -2.096 54.246 56.287 0.091 0.000 1.096 352 K CB 2.015 34.575 32.500 0.101 0.000 1.498 352 K HN -0.422 7.716 8.250 0.124 0.186 0.629 353 A N -2.382 120.498 122.820 0.101 0.000 2.594 353 A HA 0.728 nan 4.320 nan 0.000 0.295 353 A C -2.425 175.181 177.584 0.036 0.000 1.071 353 A CA -0.782 51.309 52.037 0.090 0.000 0.685 353 A CB 3.409 22.433 19.000 0.041 0.000 1.285 353 A HN 0.128 8.317 8.150 0.066 0.000 0.405 354 I N -0.527 120.045 120.570 0.004 0.000 2.404 354 I HA 0.370 nan 4.170 nan 0.000 0.293 354 I C -2.577 173.496 176.117 -0.073 0.000 0.992 354 I CA -3.876 57.373 61.300 -0.086 0.000 1.149 354 I CB 2.322 40.211 38.000 -0.184 0.000 1.315 354 I HN 0.756 8.867 8.210 0.035 0.120 0.446 355 P HA 0.258 nan 4.420 nan 0.000 0.287 355 P C 0.182 177.430 177.300 -0.086 0.000 1.294 355 P CA -0.605 62.453 63.100 -0.071 0.000 0.776 355 P CB 0.049 31.707 31.700 -0.070 0.000 0.889 356 L N 5.321 126.505 121.223 -0.064 0.000 2.089 356 L HA -0.514 nan 4.340 nan 0.000 0.213 356 L C 2.115 178.940 176.870 -0.075 0.000 1.079 356 L CA 3.754 58.555 54.840 -0.065 0.000 0.758 356 L CB -0.470 41.566 42.059 -0.038 0.000 0.891 356 L HN 0.550 9.063 8.230 -0.048 -0.312 0.433 357 E N -1.398 118.764 120.200 -0.063 0.000 2.130 357 E HA -0.274 nan 4.350 nan 0.000 0.196 357 E C 1.928 178.477 176.600 -0.084 0.000 0.998 357 E CA 2.700 59.066 56.400 -0.056 0.000 0.806 357 E CB -0.950 28.725 29.700 -0.041 0.000 0.738 357 E HN 0.256 8.563 8.360 -0.054 0.021 0.459 358 V N -6.380 113.458 119.914 -0.128 0.000 3.305 358 V HA -0.084 nan 4.120 nan 0.000 0.269 358 V C 0.928 176.785 176.094 -0.395 0.000 1.157 358 V CA 2.173 64.359 62.300 -0.190 0.000 1.157 358 V CB -0.826 30.889 31.823 -0.180 0.000 0.772 358 V HN -0.329 7.659 8.190 -0.121 0.129 0.498 359 I N -8.268 112.093 120.570 -0.348 0.000 4.439 359 I HA 0.319 nan 4.170 nan 0.000 0.331 359 I C 0.286 176.342 176.117 -0.101 0.000 1.345 359 I CA -0.164 60.849 61.300 -0.479 0.000 1.193 359 I CB 0.327 38.125 38.000 -0.337 0.000 1.221 359 I HN -0.331 7.573 8.210 -0.212 0.179 0.429 360 K N -0.265 120.105 120.400 -0.051 0.000 2.074 360 K HA -0.133 nan 4.320 nan 0.000 0.209 360 K C 0.682 177.323 176.600 0.069 0.000 1.048 360 K CA 2.030 58.325 56.287 0.013 0.000 0.926 360 K CB -0.134 32.366 32.500 -0.001 0.000 0.713 360 K HN -0.197 7.896 8.250 -0.087 0.105 0.444 361 G N -3.049 105.818 108.800 0.112 0.000 2.481 361 G HA2 0.255 nan 3.960 nan 0.000 0.315 361 G HA3 0.255 nan 3.960 nan 0.000 0.315 361 G C -1.641 173.403 174.900 0.239 0.000 1.231 361 G CA -1.428 43.749 45.100 0.128 0.000 0.968 361 G HN -0.502 7.849 8.290 0.102 0.000 0.482 362 G N 0.549 109.412 108.800 0.106 0.000 2.685 362 G HA2 -0.356 nan 3.960 nan 0.000 0.387 362 G HA3 -0.356 nan 3.960 nan 0.000 0.387 362 G C -1.554 173.211 174.900 -0.226 0.000 1.324 362 G CA -0.478 44.595 45.100 -0.044 0.000 0.878 362 G HN -0.737 7.988 8.290 0.066 -0.396 0.527 363 R N 0.242 120.479 120.500 -0.439 0.000 2.445 363 R HA 0.759 nan 4.340 nan 0.000 0.308 363 R C -0.873 175.170 176.300 -0.429 0.000 0.961 363 R CA -1.360 54.600 56.100 -0.234 0.000 0.862 363 R CB 2.272 32.536 30.300 -0.060 0.000 1.144 363 R HN 0.224 8.604 8.270 -0.398 -0.348 0.447 364 H N 1.846 121.069 119.070 0.254 0.000 2.895 364 H HA 0.700 nan 4.556 nan 0.000 0.373 364 H C -2.389 172.751 175.328 -0.313 0.000 1.174 364 H CA -1.260 54.802 56.048 0.025 0.000 1.144 364 H CB 4.284 34.029 29.762 -0.029 0.000 1.793 364 H HN 0.776 9.158 8.280 0.170 0.000 0.551 365 L N 1.767 122.694 121.223 -0.494 0.000 2.343 365 L HA 0.617 nan 4.340 nan 0.000 0.278 365 L C -2.176 174.449 176.870 -0.409 0.000 0.996 365 L CA -1.333 53.050 54.840 -0.761 0.000 0.831 365 L CB 2.420 43.726 42.059 -1.254 0.000 1.232 365 L HN 0.432 8.487 8.230 -0.291 0.000 0.413 366 I N 7.168 127.531 120.570 -0.344 0.000 2.330 366 I HA 0.397 nan 4.170 nan 0.000 0.289 366 I C -1.383 174.650 176.117 -0.141 0.000 1.001 366 I CA -0.943 60.245 61.300 -0.188 0.000 1.193 366 I CB 1.166 39.077 38.000 -0.147 0.000 1.345 366 I HN 1.006 9.010 8.210 -0.343 0.000 0.461 367 F N 7.824 127.834 119.950 0.099 0.000 2.411 367 F HA 0.348 nan 4.527 nan 0.000 0.355 367 F C -0.915 175.014 175.800 0.215 0.000 1.117 367 F CA -0.133 57.951 58.000 0.140 0.000 1.139 367 F CB 0.848 39.912 39.000 0.108 0.000 1.120 367 F HN 0.579 9.050 8.300 0.286 0.000 0.493 368 C N 5.460 124.990 119.300 0.383 0.000 2.529 368 C HA 0.469 nan 4.460 nan 0.000 0.329 368 C C -0.346 174.823 174.990 0.298 0.000 1.194 368 C CA -1.578 57.659 59.018 0.366 0.000 1.779 368 C CB 2.602 30.562 27.740 0.366 0.000 2.322 368 C HN 0.272 8.703 8.230 0.335 0.000 0.500 369 H N -0.082 119.101 119.070 0.189 0.000 2.470 369 H HA -0.017 nan 4.556 nan 0.000 0.289 369 H C -0.041 175.347 175.328 0.100 0.000 1.033 369 H CA 1.488 57.612 56.048 0.126 0.000 1.331 369 H CB 0.566 30.395 29.762 0.112 0.000 1.414 369 H HN 0.418 9.130 8.280 0.720 0.000 0.545 370 S N -1.273 114.108 115.700 -0.532 0.000 2.634 370 S HA 0.212 nan 4.470 nan 0.000 0.296 370 S C 0.317 174.756 174.600 -0.268 0.000 1.104 370 S CA -1.494 56.441 58.200 -0.442 0.000 0.920 370 S CB 3.100 65.921 63.200 -0.632 0.000 1.111 370 S HN -0.655 7.395 8.310 -0.435 0.000 0.493 371 K N 1.314 121.509 120.400 -0.342 0.000 2.155 371 K HA -0.228 nan 4.320 nan 0.000 0.203 371 K C 2.017 178.426 176.600 -0.318 0.000 1.052 371 K CA 3.353 59.309 56.287 -0.551 0.000 0.948 371 K CB -0.022 31.855 32.500 -1.039 0.000 0.728 371 K HN 0.450 8.498 8.250 -0.337 0.000 0.448 372 K N -0.026 120.236 120.400 -0.230 0.000 2.002 372 K HA -0.327 nan 4.320 nan 0.000 0.209 372 K C 2.102 178.668 176.600 -0.057 0.000 1.048 372 K CA 3.326 59.541 56.287 -0.120 0.000 0.930 372 K CB -0.332 32.104 32.500 -0.107 0.000 0.714 372 K HN -0.096 7.983 8.250 -0.258 0.016 0.438 373 K N -0.982 119.376 120.400 -0.070 0.000 2.103 373 K HA -0.268 nan 4.320 nan 0.000 0.207 373 K C 2.618 179.268 176.600 0.083 0.000 1.048 373 K CA 2.749 59.039 56.287 0.005 0.000 0.930 373 K CB -0.511 32.008 32.500 0.031 0.000 0.716 373 K HN -0.619 7.547 8.250 -0.140 0.000 0.444 374 C N 0.020 119.374 119.300 0.090 0.000 2.432 374 C HA -0.273 nan 4.460 nan 0.000 0.277 374 C C 2.001 177.084 174.990 0.154 0.000 1.249 374 C CA 4.300 63.415 59.018 0.162 0.000 1.725 374 C CB -1.848 26.037 27.740 0.243 0.000 2.028 374 C HN -0.399 7.743 8.230 0.026 0.103 0.477 375 D N 0.117 120.606 120.400 0.149 0.000 2.084 375 D HA -0.281 nan 4.640 nan 0.000 0.194 375 D C 2.577 178.925 176.300 0.079 0.000 0.990 375 D CA 3.651 57.727 54.000 0.127 0.000 0.826 375 D CB -0.683 40.181 40.800 0.108 0.000 0.971 375 D HN 0.032 8.475 8.370 0.122 0.000 0.453 376 E N 0.060 120.295 120.200 0.058 0.000 2.085 376 E HA -0.364 nan 4.350 nan 0.000 0.194 376 E C 2.671 179.307 176.600 0.060 0.000 0.994 376 E CA 2.709 59.135 56.400 0.044 0.000 0.801 376 E CB -0.028 29.686 29.700 0.023 0.000 0.743 376 E HN 0.044 8.434 8.360 0.050 0.000 0.453 377 L N -0.400 120.876 121.223 0.089 0.000 2.005 377 L HA -0.272 nan 4.340 nan 0.000 0.207 377 L C 1.361 178.277 176.870 0.077 0.000 1.072 377 L CA 2.791 57.694 54.840 0.106 0.000 0.744 377 L CB -0.681 41.483 42.059 0.175 0.000 0.895 377 L HN -0.023 8.267 8.230 0.100 0.000 0.433 378 A N -1.234 121.632 122.820 0.076 0.000 1.892 378 A HA -0.500 nan 4.320 nan 0.000 0.218 378 A C 1.839 179.450 177.584 0.044 0.000 1.188 378 A CA 3.389 55.460 52.037 0.056 0.000 0.631 378 A CB -1.184 17.851 19.000 0.058 0.000 0.822 378 A HN 0.355 8.561 8.150 0.093 0.000 0.447 379 A N -2.106 120.741 122.820 0.045 0.000 1.883 379 A HA -0.360 nan 4.320 nan 0.000 0.217 379 A C 1.987 179.590 177.584 0.030 0.000 1.186 379 A CA 3.142 55.200 52.037 0.035 0.000 0.624 379 A CB -0.862 18.158 19.000 0.034 0.000 0.822 379 A HN 0.142 8.325 8.150 0.054 -0.000 0.444 380 K N -0.922 119.498 120.400 0.035 0.000 1.991 380 K HA -0.331 nan 4.320 nan 0.000 0.212 380 K C 2.471 179.085 176.600 0.024 0.000 1.049 380 K CA 3.151 59.456 56.287 0.030 0.000 0.932 380 K CB -0.067 32.456 32.500 0.038 0.000 0.717 380 K HN -0.475 7.728 8.250 0.042 0.072 0.441 381 L N -1.710 119.529 121.223 0.026 0.000 2.012 381 L HA -0.381 nan 4.340 nan 0.000 0.210 381 L C 2.214 179.095 176.870 0.018 0.000 1.073 381 L CA 3.113 57.964 54.840 0.018 0.000 0.748 381 L CB -0.273 41.796 42.059 0.016 0.000 0.891 381 L HN 0.153 8.403 8.230 0.035 0.000 0.431 382 V N -1.229 118.697 119.914 0.021 0.000 2.469 382 V HA -0.439 nan 4.120 nan 0.000 0.251 382 V C 2.142 178.246 176.094 0.016 0.000 1.064 382 V CA 3.647 65.959 62.300 0.020 0.000 1.066 382 V CB -0.916 30.919 31.823 0.021 0.000 0.667 382 V HN 0.435 8.533 8.190 0.025 0.106 0.461 383 A N 0.709 123.539 122.820 0.016 0.000 1.929 383 A HA -0.142 nan 4.320 nan 0.000 0.216 383 A C 0.974 178.565 177.584 0.011 0.000 1.176 383 A CA 2.857 54.902 52.037 0.013 0.000 0.628 383 A CB -0.358 18.650 19.000 0.014 0.000 0.816 383 A HN -0.240 7.802 8.150 0.018 0.119 0.444 384 L N -2.871 118.358 121.223 0.010 0.000 2.660 384 L HA 0.011 nan 4.340 nan 0.000 0.238 384 L C -0.097 176.777 176.870 0.007 0.000 1.161 384 L CA -0.436 54.408 54.840 0.007 0.000 0.937 384 L CB -1.280 40.782 42.059 0.004 0.000 1.122 384 L HN -0.600 7.527 8.230 0.012 0.110 0.435 385 G N -1.736 107.070 108.800 0.010 0.000 2.162 385 G HA2 -0.426 nan 3.960 nan 0.000 0.260 385 G HA3 -0.426 nan 3.960 nan 0.000 0.260 385 G C -0.054 174.855 174.900 0.015 0.000 0.976 385 G CA 0.514 45.621 45.100 0.011 0.000 0.655 385 G HN -0.532 7.568 8.290 0.011 0.197 0.533 386 I N 1.432 122.011 120.570 0.015 0.000 2.474 386 I HA -0.112 nan 4.170 nan 0.000 0.287 386 I C -0.165 175.969 176.117 0.028 0.000 1.048 386 I CA -1.056 60.257 61.300 0.022 0.000 1.383 386 I CB -0.043 37.967 38.000 0.017 0.000 1.412 386 I HN -0.143 8.017 8.210 0.013 0.058 0.531 387 N N 8.562 127.283 118.700 0.036 0.000 2.971 387 N HA -0.064 nan 4.740 nan 0.000 0.294 387 N C -1.573 173.964 175.510 0.043 0.000 1.210 387 N CA -0.963 52.108 53.050 0.036 0.000 1.157 387 N CB -0.808 37.701 38.487 0.038 0.000 1.450 387 N HN 0.451 8.855 8.380 0.041 0.000 0.527 388 A N 2.131 124.973 122.820 0.036 0.000 2.301 388 A HA 0.723 nan 4.320 nan 0.000 0.312 388 A C -1.176 176.426 177.584 0.029 0.000 1.182 388 A CA -0.933 51.125 52.037 0.036 0.000 0.826 388 A CB 1.568 20.586 19.000 0.031 0.000 1.134 388 A HN -0.305 7.816 8.150 0.030 0.047 0.501 389 V N -2.403 117.528 119.914 0.028 0.000 2.760 389 V HA 0.477 nan 4.120 nan 0.000 0.309 389 V C -1.564 174.535 176.094 0.009 0.000 1.077 389 V CA -1.836 60.473 62.300 0.014 0.000 0.910 389 V CB 3.758 35.587 31.823 0.009 0.000 1.008 389 V HN 0.535 8.745 8.190 0.033 0.000 0.424 390 A N 4.591 127.404 122.820 -0.012 0.000 2.302 390 A HA 0.603 nan 4.320 nan 0.000 0.285 390 A C -1.625 175.897 177.584 -0.103 0.000 1.105 390 A CA -0.624 51.392 52.037 -0.035 0.000 0.816 390 A CB 1.001 19.985 19.000 -0.025 0.000 1.067 390 A HN -0.000 8.137 8.150 -0.022 0.000 0.489 391 Y N 4.267 124.418 120.300 -0.248 0.000 2.399 391 Y HA 0.234 nan 4.550 nan 0.000 0.327 391 Y C -3.114 172.690 175.900 -0.161 0.000 1.111 391 Y CA 0.189 58.099 58.100 -0.316 0.000 1.047 391 Y CB 3.566 41.896 38.460 -0.218 0.000 1.259 391 Y HN 0.486 8.767 8.280 0.002 0.000 0.434 392 Y N -0.671 119.034 120.300 -0.991 0.000 2.788 392 Y HA 0.316 nan 4.550 nan 0.000 0.335 392 Y C -2.724 172.743 175.900 -0.720 0.000 1.287 392 Y CA -2.866 54.830 58.100 -0.674 0.000 1.068 392 Y CB 1.232 39.526 38.460 -0.277 0.000 1.340 392 Y HN -0.284 7.009 8.280 -1.646 0.000 0.449 393 R N 2.099 122.547 120.500 -0.087 0.000 2.502 393 R HA -0.289 nan 4.340 nan 0.000 0.292 393 R C 0.357 176.670 176.300 0.021 0.000 0.998 393 R CA 1.812 57.878 56.100 -0.055 0.000 1.056 393 R CB 0.239 30.540 30.300 0.002 0.000 0.939 393 R HN 0.848 9.129 8.270 0.017 0.000 0.411 394 G N 2.989 111.776 108.800 -0.022 0.000 2.238 394 G HA2 -0.335 nan 3.960 nan 0.000 0.217 394 G HA3 -0.335 nan 3.960 nan 0.000 0.217 394 G C -0.402 174.481 174.900 -0.029 0.000 0.996 394 G CA -0.378 44.729 45.100 0.011 0.000 0.632 394 G HN 0.302 8.569 8.290 -0.037 0.000 0.503 395 L N -0.672 120.462 121.223 -0.147 0.000 2.567 395 L HA 0.089 nan 4.340 nan 0.000 0.238 395 L C -0.815 176.089 176.870 0.057 0.000 1.168 395 L CA -0.445 54.309 54.840 -0.143 0.000 0.817 395 L CB 0.699 42.522 42.059 -0.393 0.000 1.409 395 L HN -0.595 7.406 8.230 -0.262 0.072 0.502 396 D N -0.650 119.801 120.400 0.084 0.000 2.392 396 D HA 0.069 nan 4.640 nan 0.000 0.228 396 D C 0.304 176.639 176.300 0.059 0.000 1.074 396 D CA -0.601 53.449 54.000 0.083 0.000 0.838 396 D CB 0.688 41.500 40.800 0.020 0.000 1.067 396 D HN -0.090 8.296 8.370 0.026 0.000 0.511 397 V N 5.392 125.293 119.914 -0.022 0.000 2.970 397 V HA -0.094 nan 4.120 nan 0.000 0.260 397 V C 0.837 176.762 176.094 -0.282 0.000 1.100 397 V CA 1.374 63.430 62.300 -0.407 0.000 1.122 397 V CB -0.137 31.304 31.823 -0.637 0.000 0.721 397 V HN 0.591 8.819 8.190 0.062 0.000 0.483 398 S N -0.656 114.973 115.700 -0.119 0.000 2.515 398 S HA -0.186 nan 4.470 nan 0.000 0.231 398 S C 1.172 175.745 174.600 -0.046 0.000 0.987 398 S CA 2.154 60.318 58.200 -0.061 0.000 0.936 398 S CB 0.315 63.500 63.200 -0.024 0.000 0.766 398 S HN -0.333 8.146 8.310 -0.074 -0.214 0.528 399 V N -5.673 114.205 119.914 -0.060 0.000 3.306 399 V HA 0.104 nan 4.120 nan 0.000 0.264 399 V C 0.144 176.215 176.094 -0.039 0.000 1.149 399 V CA -0.102 62.176 62.300 -0.037 0.000 1.143 399 V CB -0.152 31.655 31.823 -0.027 0.000 0.767 399 V HN -0.685 7.402 8.190 -0.078 0.055 0.476 400 I N 4.123 124.643 120.570 -0.083 0.000 2.517 400 I HA 0.135 nan 4.170 nan 0.000 0.285 400 I C -1.080 175.067 176.117 0.051 0.000 1.106 400 I CA -1.507 59.761 61.300 -0.053 0.000 1.402 400 I CB -0.122 37.743 38.000 -0.226 0.000 1.399 400 I HN -0.603 7.472 8.210 -0.143 0.049 0.535 401 P HA 0.014 nan 4.420 nan 0.000 0.268 401 P C 0.368 177.703 177.300 0.059 0.000 1.204 401 P CA -0.114 63.013 63.100 0.045 0.000 0.768 401 P CB 1.073 32.786 31.700 0.023 0.000 0.842 402 T N 2.212 116.772 114.554 0.010 0.000 3.023 402 T HA 0.002 nan 4.350 nan 0.000 0.266 402 T C -0.451 174.172 174.700 -0.128 0.000 1.093 402 T CA 1.479 63.533 62.100 -0.077 0.000 1.129 402 T CB -0.109 68.713 68.868 -0.077 0.000 0.899 402 T HN 0.359 8.603 8.240 0.007 0.000 0.491 403 S N -1.567 114.086 115.700 -0.080 0.000 2.618 403 S HA 0.290 nan 4.470 nan 0.000 0.277 403 S C -0.962 173.606 174.600 -0.053 0.000 1.138 403 S CA -0.856 57.293 58.200 -0.085 0.000 0.844 403 S CB 2.285 65.440 63.200 -0.074 0.000 1.127 403 S HN -0.718 7.536 8.310 -0.047 0.027 0.474 404 G N 0.044 108.812 108.800 -0.052 0.000 2.690 404 G HA2 -0.320 nan 3.960 nan 0.000 0.686 404 G HA3 -0.320 nan 3.960 nan 0.000 0.686 404 G C -1.607 173.281 174.900 -0.021 0.000 1.277 404 G CA -0.725 44.358 45.100 -0.029 0.000 0.799 404 G HN 0.196 8.446 8.290 -0.066 0.000 0.613 405 D N 0.015 120.412 120.400 -0.004 0.000 2.488 405 D HA 0.134 nan 4.640 nan 0.000 0.238 405 D C -0.904 175.419 176.300 0.038 0.000 1.138 405 D CA 1.156 55.166 54.000 0.016 0.000 0.873 405 D CB 0.336 41.157 40.800 0.034 0.000 1.183 405 D HN -0.227 8.142 8.370 -0.003 0.000 0.458 406 V N 1.766 121.719 119.914 0.066 0.000 3.106 406 V HA 0.378 nan 4.120 nan 0.000 0.280 406 V C -2.279 173.906 176.094 0.151 0.000 1.525 406 V CA -0.251 62.108 62.300 0.098 0.000 0.999 406 V CB 4.404 36.285 31.823 0.096 0.000 1.186 406 V HN -0.038 8.186 8.190 0.057 0.000 0.448 407 V N 7.032 127.024 119.914 0.130 0.000 2.349 407 V HA 0.601 nan 4.120 nan 0.000 0.284 407 V C -1.073 175.059 176.094 0.062 0.000 1.014 407 V CA -1.309 61.060 62.300 0.116 0.000 0.826 407 V CB 1.360 33.235 31.823 0.086 0.000 1.009 407 V HN 0.323 8.571 8.190 0.097 0.000 0.431 408 V N 8.830 128.768 119.914 0.040 0.000 2.461 408 V HA 0.444 nan 4.120 nan 0.000 0.275 408 V C -1.107 174.931 176.094 -0.095 0.000 1.047 408 V CA -0.439 61.858 62.300 -0.005 0.000 0.955 408 V CB 0.476 32.323 31.823 0.039 0.000 0.988 408 V HN 0.535 8.749 8.190 0.041 0.000 0.471 409 V N 8.195 128.088 119.914 -0.036 0.000 2.328 409 V HA 0.735 nan 4.120 nan 0.000 0.278 409 V C -1.849 174.252 176.094 0.011 0.000 1.021 409 V CA -1.344 60.946 62.300 -0.017 0.000 0.838 409 V CB -0.340 31.515 31.823 0.052 0.000 0.999 409 V HN 0.802 8.884 8.190 -0.000 0.108 0.447 410 A N 7.722 130.507 122.820 -0.058 0.000 2.564 410 A HA 0.932 nan 4.320 nan 0.000 0.288 410 A C -2.003 175.639 177.584 0.097 0.000 1.164 410 A CA -1.347 50.704 52.037 0.022 0.000 0.712 410 A CB 3.701 22.701 19.000 -0.001 0.000 1.303 410 A HN 0.743 8.793 8.150 -0.166 0.000 0.418 411 T N -4.668 110.006 114.554 0.200 0.000 2.892 411 T HA 0.416 nan 4.350 nan 0.000 0.280 411 T C 1.127 176.074 174.700 0.412 0.000 1.004 411 T CA -1.607 60.664 62.100 0.284 0.000 0.950 411 T CB 1.569 70.538 68.868 0.168 0.000 1.309 411 T HN -0.038 8.313 8.240 0.185 0.000 0.592 412 D N 0.573 121.185 120.400 0.353 0.000 2.378 412 D HA -0.055 nan 4.640 nan 0.000 0.227 412 D C 0.843 177.303 176.300 0.266 0.000 1.012 412 D CA 2.422 56.620 54.000 0.331 0.000 0.905 412 D CB -0.850 40.042 40.800 0.155 0.000 0.895 412 D HN 0.395 8.919 8.370 0.258 0.000 0.532 413 A N -0.275 122.685 122.820 0.234 0.000 1.908 413 A HA -0.168 nan 4.320 nan 0.000 0.218 413 A C 0.962 178.744 177.584 0.330 0.000 1.181 413 A CA 1.848 54.009 52.037 0.208 0.000 0.627 413 A CB 0.017 19.068 19.000 0.085 0.000 0.818 413 A HN -0.602 7.590 8.150 0.218 0.088 0.445 419 T N 4.488 118.489 114.554 -0.921 0.000 4.104 419 T HA 0.123 nan 4.350 nan 0.000 0.285 419 T C 0.426 174.344 174.700 -1.303 0.000 1.346 419 T CA -0.784 60.824 62.100 -0.820 0.000 1.158 419 T CB -1.415 67.132 68.868 -0.535 0.000 1.290 419 T HN 0.385 8.127 8.240 -0.829 0.000 0.975 420 G N 1.849 109.977 108.800 -1.120 0.000 2.403 420 G HA2 -0.195 nan 3.960 nan 0.000 0.216 420 G HA3 -0.195 nan 3.960 nan 0.000 0.216 420 G C -1.565 172.604 174.900 -1.218 0.000 1.154 420 G CA 0.428 44.732 45.100 -1.328 0.000 0.784 420 G HN -0.168 7.687 8.290 -0.667 0.035 0.538 421 D N -1.588 118.413 120.400 -0.665 0.000 2.697 421 D HA -0.393 nan 4.640 nan 0.000 0.235 421 D C -0.937 175.133 176.300 -0.382 0.000 1.167 421 D CA 0.778 54.535 54.000 -0.406 0.000 0.656 421 D CB -0.882 39.708 40.800 -0.351 0.000 1.025 421 D HN -0.033 8.032 8.370 -0.508 0.000 0.419 422 F N -2.226 117.679 119.950 -0.075 0.000 2.427 422 F HA 0.053 nan 4.527 nan 0.000 0.352 422 F C 1.122 176.880 175.800 -0.069 0.000 1.100 422 F CA -0.767 57.189 58.000 -0.073 0.000 1.191 422 F CB 0.664 39.660 39.000 -0.007 0.000 1.128 422 F HN -0.465 7.756 8.300 -0.132 0.000 0.533 423 D N 3.797 124.239 120.400 0.070 0.000 2.234 423 D HA -0.044 nan 4.640 nan 0.000 0.205 423 D C -0.216 176.175 176.300 0.151 0.000 0.962 423 D CA 2.986 57.012 54.000 0.042 0.000 0.855 423 D CB 1.249 42.016 40.800 -0.056 0.000 0.951 423 D HN 0.668 8.924 8.370 -0.015 0.106 0.500 424 S N -5.587 110.246 115.700 0.223 0.000 2.588 424 S HA 0.508 nan 4.470 nan 0.000 0.269 424 S C -2.160 172.541 174.600 0.169 0.000 1.157 424 S CA -0.657 57.686 58.200 0.238 0.000 0.824 424 S CB 2.702 66.069 63.200 0.279 0.000 1.126 424 S HN -0.741 7.664 8.310 0.193 0.021 0.464 425 V N 0.630 120.641 119.914 0.163 0.000 2.588 425 V HA 0.726 nan 4.120 nan 0.000 0.304 425 V C -1.555 174.583 176.094 0.072 0.000 1.042 425 V CA -0.853 61.538 62.300 0.153 0.000 0.877 425 V CB 2.973 35.017 31.823 0.369 0.000 0.996 425 V HN 0.566 8.874 8.190 0.197 0.000 0.425 426 I N 6.517 127.079 120.570 -0.013 0.000 2.406 426 I HA 0.629 nan 4.170 nan 0.000 0.290 426 I C -2.352 173.785 176.117 0.034 0.000 0.999 426 I CA -1.250 59.965 61.300 -0.141 0.000 1.124 426 I CB 2.406 40.215 38.000 -0.318 0.000 1.289 426 I HN 1.013 9.214 8.210 -0.015 0.000 0.441 427 D N 7.525 127.954 120.400 0.048 0.000 2.498 427 D HA 0.548 nan 4.640 nan 0.000 0.247 427 D C -0.111 176.324 176.300 0.225 0.000 1.070 427 D CA -2.068 52.067 54.000 0.225 0.000 0.842 427 D CB 3.674 44.612 40.800 0.230 0.000 1.361 427 D HN 0.342 8.632 8.370 -0.132 0.000 0.484 428 C N 1.569 120.930 119.300 0.102 0.000 2.481 428 C HA 0.151 nan 4.460 nan 0.000 0.275 428 C C 0.684 175.503 174.990 -0.285 0.000 1.419 428 C CA -1.395 57.359 59.018 -0.441 0.000 1.773 428 C CB -0.584 26.308 27.740 -1.414 0.000 1.862 428 C HN 0.071 8.404 8.230 0.171 0.000 0.530 429 N N -2.561 116.090 118.700 -0.082 0.000 2.800 429 N HA -0.397 nan 4.740 nan 0.000 0.250 429 N C -1.423 174.048 175.510 -0.066 0.000 1.078 429 N CA 1.451 54.484 53.050 -0.029 0.000 0.804 429 N CB -1.724 36.782 38.487 0.032 0.000 1.135 429 N HN 0.335 8.993 8.380 -0.015 -0.287 0.565 433 T N 4.462 119.061 114.554 0.074 0.000 2.868 433 T HA 0.323 nan 4.350 nan 0.000 0.306 433 T C -2.317 172.429 174.700 0.078 0.000 1.224 433 T CA -0.638 61.505 62.100 0.071 0.000 1.012 433 T CB 2.873 71.782 68.868 0.068 0.000 1.221 433 T HN 0.399 8.685 8.240 0.076 0.000 0.499 434 Q N 2.529 122.383 119.800 0.090 0.000 2.332 434 Q HA 0.199 nan 4.340 nan 0.000 0.263 434 Q C -0.733 175.328 176.000 0.101 0.000 0.979 434 Q CA 0.557 56.427 55.803 0.113 0.000 0.885 434 Q CB 0.493 29.334 28.738 0.172 0.000 1.218 434 Q HN 0.234 8.556 8.270 0.086 0.000 0.405 435 T N 3.611 118.213 114.554 0.079 0.000 2.916 435 T HA 0.366 nan 4.350 nan 0.000 0.305 435 T C -2.716 171.999 174.700 0.025 0.000 1.119 435 T CA -1.008 61.129 62.100 0.061 0.000 1.008 435 T CB 3.506 72.406 68.868 0.052 0.000 1.129 435 T HN 0.207 8.387 8.240 0.070 0.102 0.480 436 V N 3.718 123.628 119.914 -0.007 0.000 2.532 436 V HA 0.720 nan 4.120 nan 0.000 0.295 436 V C -1.854 174.107 176.094 -0.221 0.000 1.041 436 V CA -2.610 59.625 62.300 -0.110 0.000 0.926 436 V CB 2.153 33.892 31.823 -0.140 0.000 0.992 436 V HN 0.069 8.441 8.190 0.020 -0.170 0.457 437 D N 7.722 127.997 120.400 -0.208 0.000 2.505 437 D HA 0.250 nan 4.640 nan 0.000 0.250 437 D C -1.259 174.954 176.300 -0.145 0.000 1.164 437 D CA -1.701 52.213 54.000 -0.143 0.000 0.870 437 D CB 2.244 43.037 40.800 -0.012 0.000 1.160 437 D HN 0.682 8.878 8.370 -0.115 0.105 0.549 438 F N 5.065 125.076 119.950 0.101 0.000 2.662 438 F HA 0.041 nan 4.527 nan 0.000 0.365 438 F C 0.373 176.205 175.800 0.054 0.000 1.222 438 F CA -0.683 57.355 58.000 0.064 0.000 1.315 438 F CB -1.940 37.002 39.000 -0.096 0.000 1.711 438 F HN 0.261 8.500 8.300 -0.101 0.000 0.651 439 S N 0.750 116.550 115.700 0.167 0.000 2.515 439 S HA -0.195 nan 4.470 nan 0.000 0.231 439 S C 0.312 174.966 174.600 0.089 0.000 0.987 439 S CA 0.700 58.964 58.200 0.107 0.000 0.936 439 S CB 0.467 63.709 63.200 0.070 0.000 0.766 439 S HN 0.272 8.628 8.310 0.154 0.047 0.528 440 L N 0.626 121.916 121.223 0.113 0.000 3.739 440 L HA -0.307 nan 4.340 nan 0.000 0.442 440 L C -1.475 175.419 176.870 0.039 0.000 1.241 440 L CA 0.593 55.478 54.840 0.074 0.000 0.819 440 L CB -2.102 39.988 42.059 0.052 0.000 1.679 440 L HN -0.005 8.208 8.230 0.169 0.117 0.889 441 D N -4.165 116.252 120.400 0.030 0.000 2.879 441 D HA 0.311 nan 4.640 nan 0.000 0.351 441 D C -0.917 175.369 176.300 -0.023 0.000 1.239 441 D CA -1.860 52.142 54.000 0.003 0.000 0.771 441 D CB -0.293 40.510 40.800 0.006 0.000 1.176 441 D HN -0.050 8.376 8.370 0.043 -0.031 0.496 442 P HA 0.106 nan 4.420 nan 0.000 0.239 442 P C -0.720 176.595 177.300 0.025 0.000 1.188 442 P CA 1.355 64.448 63.100 -0.011 0.000 0.794 442 P CB 0.749 32.431 31.700 -0.029 0.000 0.937 443 T N -4.693 109.877 114.554 0.027 0.000 3.409 443 T HA 0.138 nan 4.350 nan 0.000 0.188 443 T C -1.810 173.049 174.700 0.265 0.000 0.929 443 T CA -0.683 61.499 62.100 0.137 0.000 1.184 443 T CB 1.242 70.184 68.868 0.122 0.000 1.570 443 T HN -0.032 8.192 8.240 -0.026 0.000 0.367 444 F N -3.461 116.599 119.950 0.183 0.000 2.650 444 F HA 0.911 nan 4.527 nan 0.000 0.320 444 F C -2.083 173.773 175.800 0.092 0.000 1.091 444 F CA -2.289 55.789 58.000 0.131 0.000 0.962 444 F CB 2.783 41.888 39.000 0.175 0.000 1.363 444 F HN -0.485 7.643 8.300 -0.286 0.000 0.482 445 T N 0.567 115.273 114.554 0.255 0.000 2.928 445 T HA 0.569 nan 4.350 nan 0.000 0.296 445 T C -1.876 172.893 174.700 0.114 0.000 1.000 445 T CA 0.168 62.340 62.100 0.119 0.000 0.989 445 T CB 1.978 70.879 68.868 0.054 0.000 1.005 445 T HN 0.702 8.989 8.240 0.251 0.103 0.442 446 I N 7.532 128.131 120.570 0.048 0.000 2.330 446 I HA 0.421 nan 4.170 nan 0.000 0.289 446 I C -1.247 174.848 176.117 -0.036 0.000 1.001 446 I CA -0.415 60.852 61.300 -0.054 0.000 1.193 446 I CB 1.093 38.896 38.000 -0.329 0.000 1.345 446 I HN 0.330 8.552 8.210 0.021 0.000 0.461 447 E N 6.029 126.230 120.200 0.003 0.000 2.489 447 E HA 0.526 nan 4.350 nan 0.000 0.201 447 E C -1.779 174.847 176.600 0.043 0.000 0.752 447 E CA -1.746 54.668 56.400 0.023 0.000 0.948 447 E CB 2.898 32.613 29.700 0.025 0.000 1.871 447 E HN 0.911 9.276 8.360 0.008 0.000 0.383 448 T N -5.235 109.346 114.554 0.046 0.000 2.906 448 T HA 0.592 nan 4.350 nan 0.000 0.295 448 T C -0.768 173.964 174.700 0.054 0.000 1.061 448 T CA -2.043 60.091 62.100 0.056 0.000 1.000 448 T CB 2.407 71.310 68.868 0.058 0.000 1.103 448 T HN -0.185 8.079 8.240 0.040 0.000 0.486 449 T N 4.120 118.709 114.554 0.060 0.000 2.881 449 T HA 0.309 nan 4.350 nan 0.000 0.290 449 T C -0.705 174.032 174.700 0.062 0.000 1.000 449 T CA 0.031 62.164 62.100 0.055 0.000 0.978 449 T CB 2.971 71.867 68.868 0.047 0.000 0.997 449 T HN 0.595 8.770 8.240 0.064 0.103 0.443 450 T N 7.992 122.582 114.554 0.060 0.000 2.729 450 T HA 0.365 nan 4.350 nan 0.000 0.296 450 T C -1.047 173.664 174.700 0.019 0.000 0.928 450 T CA 0.836 62.970 62.100 0.057 0.000 1.045 450 T CB -0.375 68.522 68.868 0.048 0.000 0.902 450 T HN 0.324 8.597 8.240 0.054 0.000 0.500 451 L N 6.394 127.630 121.223 0.022 0.000 2.301 451 L HA 0.476 nan 4.340 nan 0.000 0.264 451 L C -2.652 174.217 176.870 -0.002 0.000 1.016 451 L CA -3.561 51.286 54.840 0.011 0.000 0.821 451 L CB 0.955 43.029 42.059 0.024 0.000 1.346 451 L HN -0.073 8.179 8.230 0.036 0.000 0.429 452 P HA 0.071 nan 4.420 nan 0.000 0.269 452 P C -1.315 175.980 177.300 -0.008 0.000 1.209 452 P CA -0.408 62.685 63.100 -0.012 0.000 0.776 452 P CB 0.407 32.103 31.700 -0.006 0.000 0.876 453 Q N 2.043 121.834 119.800 -0.016 0.000 2.454 453 Q HA -0.121 nan 4.340 nan 0.000 0.247 453 Q C -0.644 175.344 176.000 -0.020 0.000 1.028 453 Q CA 0.072 55.863 55.803 -0.019 0.000 0.910 453 Q CB 0.998 29.715 28.738 -0.034 0.000 1.276 453 Q HN 0.408 8.576 8.270 -0.021 0.089 0.489 454 D N -0.911 119.477 120.400 -0.021 0.000 2.549 454 D HA 0.425 nan 4.640 nan 0.000 0.270 454 D C 0.101 176.372 176.300 -0.047 0.000 1.181 454 D CA -1.442 52.544 54.000 -0.023 0.000 1.070 454 D CB 1.704 42.502 40.800 -0.004 0.000 1.154 454 D HN 0.011 8.370 8.370 -0.019 0.000 0.602 455 A N -2.895 119.891 122.820 -0.055 0.000 1.933 455 A HA -0.225 nan 4.320 nan 0.000 0.218 455 A C 2.273 179.794 177.584 -0.104 0.000 1.175 455 A CA 3.304 55.292 52.037 -0.083 0.000 0.628 455 A CB -0.258 18.692 19.000 -0.084 0.000 0.814 455 A HN 0.342 8.466 8.150 -0.044 0.000 0.444 456 V N -1.742 118.114 119.914 -0.096 0.000 2.295 456 V HA -0.430 nan 4.120 nan 0.000 0.246 456 V C 1.838 177.872 176.094 -0.100 0.000 1.049 456 V CA 4.131 66.359 62.300 -0.120 0.000 1.024 456 V CB -0.934 30.844 31.823 -0.076 0.000 0.648 456 V HN -0.511 7.807 8.190 -0.069 -0.169 0.447 457 S N -0.691 114.961 115.700 -0.080 0.000 2.353 457 S HA -0.371 nan 4.470 nan 0.000 0.222 457 S C 1.727 176.238 174.600 -0.149 0.000 1.035 457 S CA 3.761 61.898 58.200 -0.104 0.000 1.025 457 S CB -0.056 63.097 63.200 -0.078 0.000 0.902 457 S HN -0.639 7.854 8.310 -0.060 -0.219 0.440 458 R N 0.029 120.454 120.500 -0.125 0.000 2.073 458 R HA -0.282 nan 4.340 nan 0.000 0.234 458 R C 2.100 178.271 176.300 -0.215 0.000 1.134 458 R CA 3.804 59.818 56.100 -0.143 0.000 0.952 458 R CB -0.038 30.192 30.300 -0.116 0.000 0.850 458 R HN -0.343 7.866 8.270 -0.102 0.000 0.433 459 T N 2.330 116.776 114.554 -0.181 0.000 2.746 459 T HA -0.296 nan 4.350 nan 0.000 0.267 459 T C 2.678 177.289 174.700 -0.148 0.000 1.039 459 T CA 4.606 66.602 62.100 -0.173 0.000 1.142 459 T CB -0.789 67.996 68.868 -0.138 0.000 0.866 459 T HN -0.002 8.146 8.240 -0.153 0.000 0.444 460 Q N 0.861 120.584 119.800 -0.129 0.000 2.123 460 Q HA -0.310 nan 4.340 nan 0.000 0.199 460 Q C 2.654 178.590 176.000 -0.107 0.000 0.966 460 Q CA 3.215 58.967 55.803 -0.086 0.000 0.845 460 Q CB -0.141 28.563 28.738 -0.056 0.000 0.907 460 Q HN 0.030 8.220 8.270 -0.134 0.000 0.439 461 R N 0.079 120.442 120.500 -0.229 0.000 2.062 461 R HA -0.268 nan 4.340 nan 0.000 0.231 461 R C 2.575 178.856 176.300 -0.032 0.000 1.136 461 R CA 3.624 59.522 56.100 -0.336 0.000 0.948 461 R CB -0.168 29.769 30.300 -0.605 0.000 0.845 461 R HN 0.300 8.426 8.270 -0.239 0.000 0.430 462 R N -0.154 120.237 120.500 -0.181 0.000 2.127 462 R HA -0.265 nan 4.340 nan 0.000 0.238 462 R C 2.264 178.485 176.300 -0.132 0.000 1.134 462 R CA 2.978 58.883 56.100 -0.324 0.000 0.975 462 R CB -0.235 29.555 30.300 -0.850 0.000 0.865 462 R HN 0.250 8.252 8.270 -0.270 0.106 0.447 463 G N -2.354 106.385 108.800 -0.101 0.000 2.586 463 G HA2 -0.179 nan 3.960 nan 0.000 0.215 463 G HA3 -0.179 nan 3.960 nan 0.000 0.215 463 G C 0.847 175.772 174.900 0.042 0.000 1.128 463 G CA 1.086 46.158 45.100 -0.046 0.000 0.774 463 G HN 0.106 8.119 8.290 -0.124 0.202 0.543 464 R N -1.492 119.087 120.500 0.132 0.000 2.280 464 R HA -0.068 nan 4.340 nan 0.000 0.207 464 R C -0.248 176.195 176.300 0.238 0.000 1.043 464 R CA 0.460 56.705 56.100 0.241 0.000 1.006 464 R CB -0.250 30.268 30.300 0.364 0.000 0.885 464 R HN -0.421 7.758 8.270 0.137 0.173 0.467 465 T N -3.046 111.593 114.554 0.141 0.000 2.927 465 T HA 0.346 nan 4.350 nan 0.000 0.286 465 T C -0.085 174.603 174.700 -0.021 0.000 1.040 465 T CA -1.315 60.853 62.100 0.112 0.000 1.010 465 T CB 1.732 70.688 68.868 0.146 0.000 1.177 465 T HN -0.626 7.620 8.240 0.089 0.047 0.546 466 G N 2.977 111.766 108.800 -0.018 0.000 2.198 466 G HA2 -0.356 nan 3.960 nan 0.000 0.260 466 G HA3 -0.356 nan 3.960 nan 0.000 0.260 466 G C -0.953 173.933 174.900 -0.023 0.000 1.025 466 G CA 0.573 45.631 45.100 -0.070 0.000 0.769 466 G HN 0.437 8.746 8.290 0.031 0.000 0.507 467 R N -0.519 119.984 120.500 0.006 0.000 2.565 467 R HA 0.011 nan 4.340 nan 0.000 0.286 467 R C 0.731 177.043 176.300 0.020 0.000 1.256 467 R CA -0.845 55.270 56.100 0.024 0.000 1.238 467 R CB -1.267 29.038 30.300 0.008 0.000 1.153 467 R HN -0.096 8.161 8.270 0.007 0.017 0.553 468 G N 2.274 111.100 108.800 0.044 0.000 2.141 468 G HA2 -0.365 nan 3.960 nan 0.000 0.242 468 G HA3 -0.365 nan 3.960 nan 0.000 0.242 468 G C -1.668 173.246 174.900 0.022 0.000 0.982 468 G CA 0.279 45.396 45.100 0.028 0.000 0.662 468 G HN -0.034 8.302 8.290 0.076 0.000 0.527 469 K N -3.561 116.858 120.400 0.032 0.000 2.625 469 K HA 0.443 nan 4.320 nan 0.000 0.284 469 K C -3.314 173.309 176.600 0.039 0.000 0.984 469 K CA -2.311 53.993 56.287 0.027 0.000 0.865 469 K CB 1.181 33.685 32.500 0.007 0.000 1.468 469 K HN -0.276 7.949 8.250 0.041 0.050 0.407 470 P HA 0.140 nan 4.420 nan 0.000 0.269 470 P C -1.237 176.092 177.300 0.047 0.000 1.215 470 P CA -0.478 62.653 63.100 0.051 0.000 0.780 470 P CB 0.436 32.165 31.700 0.050 0.000 0.898 471 G N -0.653 108.178 108.800 0.052 0.000 2.695 471 G HA2 0.651 nan 3.960 nan 0.000 0.290 471 G HA3 0.651 nan 3.960 nan 0.000 0.290 471 G C -2.681 172.275 174.900 0.093 0.000 1.410 471 G CA -0.380 44.762 45.100 0.070 0.000 0.844 471 G HN 0.536 8.857 8.290 0.053 0.000 0.478 472 I N -1.056 119.590 120.570 0.127 0.000 2.569 472 I HA 0.808 nan 4.170 nan 0.000 0.296 472 I C -2.334 173.910 176.117 0.213 0.000 1.028 472 I CA -1.456 59.932 61.300 0.146 0.000 1.082 472 I CB 4.431 42.496 38.000 0.108 0.000 1.264 472 I HN -0.037 8.257 8.210 0.139 0.000 0.429 473 Y N 7.390 127.743 120.300 0.089 0.000 2.338 473 Y HA 0.548 nan 4.550 nan 0.000 0.333 473 Y C -2.765 173.232 175.900 0.161 0.000 0.968 473 Y CA -2.023 56.148 58.100 0.119 0.000 1.123 473 Y CB 3.161 41.692 38.460 0.118 0.000 1.165 473 Y HN 0.862 9.309 8.280 0.278 0.000 0.452 474 R N 6.421 126.706 120.500 -0.359 0.000 2.514 474 R HA 0.760 nan 4.340 nan 0.000 0.301 474 R C -1.901 174.100 176.300 -0.499 0.000 0.962 474 R CA -1.708 54.172 56.100 -0.367 0.000 0.882 474 R CB 3.084 33.222 30.300 -0.270 0.000 1.143 474 R HN 0.916 8.981 8.270 -0.341 0.000 0.452 475 F N -3.222 116.496 119.950 -0.387 0.000 2.603 475 F HA 0.810 nan 4.527 nan 0.000 0.317 475 F C -1.357 174.408 175.800 -0.058 0.000 1.066 475 F CA -2.287 55.555 58.000 -0.263 0.000 0.941 475 F CB 1.985 40.859 39.000 -0.209 0.000 1.291 475 F HN -0.108 7.662 8.300 -0.883 0.000 0.472 476 V N 0.589 120.607 119.914 0.173 0.000 2.599 476 V HA 0.066 nan 4.120 nan 0.000 0.245 476 V C -0.522 175.696 176.094 0.207 0.000 1.046 476 V CA 1.574 63.953 62.300 0.132 0.000 1.065 476 V CB 0.041 31.942 31.823 0.130 0.000 0.703 476 V HN 0.506 9.077 8.190 0.219 -0.249 0.464 477 A N -3.334 119.681 122.820 0.325 0.000 2.386 477 A HA 0.672 nan 4.320 nan 0.000 0.311 477 A C -2.530 175.229 177.584 0.292 0.000 1.068 477 A CA -2.436 49.768 52.037 0.278 0.000 0.743 477 A CB 1.186 20.259 19.000 0.121 0.000 1.258 477 A HN 0.148 8.930 8.150 0.328 -0.436 0.429 478 P HA 0.057 nan 4.420 nan 0.000 0.235 478 P C 0.020 177.257 177.300 -0.106 0.000 1.177 478 P CA 0.642 63.698 63.100 -0.073 0.000 0.785 478 P CB 0.509 32.267 31.700 0.096 0.000 0.885 479 G N -0.573 108.210 108.800 -0.028 0.000 2.502 479 G HA2 0.108 nan 3.960 nan 0.000 0.305 479 G HA3 0.108 nan 3.960 nan 0.000 0.305 479 G C -1.878 172.998 174.900 -0.040 0.000 1.190 479 G CA -0.916 44.163 45.100 -0.034 0.000 0.933 479 G HN -0.475 7.784 8.290 0.017 0.040 0.503 480 E N -3.626 116.551 120.200 -0.039 0.000 2.388 480 E HA 0.136 nan 4.350 nan 0.000 0.280 480 E C -1.408 175.174 176.600 -0.030 0.000 1.019 480 E CA -1.693 54.684 56.400 -0.038 0.000 0.806 480 E CB 2.268 31.934 29.700 -0.057 0.000 1.246 480 E HN -0.356 7.982 8.360 -0.037 0.000 0.443 481 R N 0.397 120.883 120.500 -0.023 0.000 2.357 481 R HA 0.433 nan 4.340 nan 0.000 0.296 481 R C -2.039 174.248 176.300 -0.021 0.000 1.052 481 R CA -2.467 53.623 56.100 -0.016 0.000 0.988 481 R CB 0.432 30.729 30.300 -0.004 0.000 1.025 481 R HN 0.236 8.493 8.270 -0.022 0.000 0.469 482 P HA -0.106 nan 4.420 nan 0.000 0.266 482 P C -0.981 176.309 177.300 -0.017 0.000 1.195 482 P CA 0.086 63.170 63.100 -0.027 0.000 0.768 482 P CB 0.263 31.949 31.700 -0.024 0.000 0.838 483 S N 3.663 119.347 115.700 -0.025 0.000 2.589 483 S HA -0.026 nan 4.470 nan 0.000 0.265 483 S C 1.088 175.700 174.600 0.020 0.000 1.342 483 S CA 0.574 58.771 58.200 -0.006 0.000 1.005 483 S CB 1.029 64.208 63.200 -0.034 0.000 0.909 483 S HN -0.114 8.171 8.310 -0.042 0.000 0.555 484 G N -1.058 107.781 108.800 0.066 0.000 2.260 484 G HA2 -0.287 nan 3.960 nan 0.000 0.179 484 G HA3 -0.287 nan 3.960 nan 0.000 0.179 484 G C -1.815 173.160 174.900 0.124 0.000 1.002 484 G CA -0.014 45.141 45.100 0.093 0.000 0.677 484 G HN 0.582 8.923 8.290 0.085 0.000 0.486 485 M N 0.282 119.949 119.600 0.111 0.000 2.528 485 M HA 0.911 nan 4.480 nan 0.000 0.321 485 M C -1.470 174.938 176.300 0.181 0.000 1.153 485 M CA -1.872 53.473 55.300 0.075 0.000 0.951 485 M CB 2.539 35.147 32.600 0.015 0.000 1.705 485 M HN -0.548 7.800 8.290 0.096 0.000 0.451 486 F N -0.911 119.061 119.950 0.037 0.000 2.599 486 F HA 0.479 nan 4.527 nan 0.000 0.311 486 F C -2.415 173.404 175.800 0.032 0.000 1.076 486 F CA -1.557 56.461 58.000 0.029 0.000 0.937 486 F CB 2.115 41.125 39.000 0.017 0.000 1.282 486 F HN 0.367 8.488 8.300 -0.299 0.000 0.460 487 D N 0.569 121.105 120.400 0.227 0.000 2.362 487 D HA 0.023 nan 4.640 nan 0.000 0.242 487 D C 1.344 177.759 176.300 0.191 0.000 1.132 487 D CA 0.117 54.204 54.000 0.145 0.000 0.907 487 D CB 2.105 42.993 40.800 0.147 0.000 1.195 487 D HN 0.098 8.644 8.370 0.294 0.000 0.429 488 S N 4.278 120.084 115.700 0.176 0.000 2.442 488 S HA -0.293 nan 4.470 nan 0.000 0.236 488 S C 1.322 176.066 174.600 0.239 0.000 1.007 488 S CA 2.620 61.011 58.200 0.317 0.000 0.965 488 S CB 0.059 63.636 63.200 0.628 0.000 0.773 488 S HN 0.578 8.982 8.310 0.157 0.000 0.504 489 S N 1.160 116.957 115.700 0.161 0.000 2.442 489 S HA -0.220 nan 4.470 nan 0.000 0.236 489 S C 1.917 176.553 174.600 0.060 0.000 1.007 489 S CA 3.045 61.280 58.200 0.058 0.000 0.965 489 S CB -0.189 63.089 63.200 0.130 0.000 0.773 489 S HN -0.238 8.471 8.310 0.176 -0.293 0.504 490 V N 2.066 122.044 119.914 0.108 0.000 2.427 490 V HA -0.307 nan 4.120 nan 0.000 0.248 490 V C 1.499 177.565 176.094 -0.047 0.000 1.051 490 V CA 3.992 66.312 62.300 0.033 0.000 1.048 490 V CB -0.888 30.983 31.823 0.080 0.000 0.666 490 V HN 0.166 8.315 8.190 0.191 0.155 0.456 491 L N -1.230 119.998 121.223 0.009 0.000 2.027 491 L HA -0.432 nan 4.340 nan 0.000 0.206 491 L C 1.717 178.447 176.870 -0.234 0.000 1.074 491 L CA 3.174 58.003 54.840 -0.019 0.000 0.745 491 L CB -0.729 41.445 42.059 0.191 0.000 0.898 491 L HN -0.496 7.683 8.230 0.108 0.116 0.433 492 C N -0.693 118.133 119.300 -0.790 0.000 2.413 492 C HA -0.507 nan 4.460 nan 0.000 0.276 492 C C 1.815 176.723 174.990 -0.137 0.000 1.248 492 C CA 4.285 62.799 59.018 -0.840 0.000 1.742 492 C CB -1.727 25.224 27.740 -1.315 0.000 2.017 492 C HN -0.036 7.671 8.230 -0.871 0.000 0.481 493 E N -0.440 119.709 120.200 -0.085 0.000 2.150 493 E HA -0.322 nan 4.350 nan 0.000 0.193 493 E C 2.253 178.699 176.600 -0.257 0.000 0.985 493 E CA 3.178 59.415 56.400 -0.271 0.000 0.814 493 E CB -0.255 29.197 29.700 -0.413 0.000 0.752 493 E HN -0.053 8.056 8.360 -0.096 0.193 0.466 494 C N 0.101 119.257 119.300 -0.240 0.000 2.476 494 C HA -0.214 nan 4.460 nan 0.000 0.278 494 C C 2.353 177.125 174.990 -0.362 0.000 1.274 494 C CA 4.519 63.365 59.018 -0.288 0.000 1.713 494 C CB -1.537 26.000 27.740 -0.340 0.000 2.039 494 C HN -0.088 7.883 8.230 -0.208 0.134 0.484 495 Y N -1.880 118.160 120.300 -0.433 0.000 2.224 495 Y HA -0.426 nan 4.550 nan 0.000 0.289 495 Y C 2.187 177.550 175.900 -0.895 0.000 1.146 495 Y CA 3.501 61.183 58.100 -0.697 0.000 1.182 495 Y CB -0.447 37.414 38.460 -0.999 0.000 0.983 495 Y HN -0.092 8.078 8.280 -0.183 0.000 0.524 496 D N -1.593 118.421 120.400 -0.644 0.000 2.117 496 D HA -0.279 nan 4.640 nan 0.000 0.197 496 D C 1.417 177.656 176.300 -0.101 0.000 0.987 496 D CA 2.822 56.680 54.000 -0.236 0.000 0.829 496 D CB 0.616 41.496 40.800 0.133 0.000 0.961 496 D HN -0.238 7.822 8.370 -0.517 0.000 0.460 497 A N -0.825 121.944 122.820 -0.086 0.000 1.930 497 A HA -0.131 nan 4.320 nan 0.000 0.217 497 A C 1.078 178.690 177.584 0.048 0.000 1.175 497 A CA 1.909 53.985 52.037 0.066 0.000 0.627 497 A CB -0.027 19.044 19.000 0.119 0.000 0.815 497 A HN -0.339 7.637 8.150 -0.155 0.081 0.443 501 W N -2.336 118.763 121.300 -0.335 0.000 2.871 501 W HA 0.016 nan 4.660 nan 0.000 0.267 501 W C 0.725 176.834 176.519 -0.683 0.000 1.180 501 W CA 0.725 57.712 57.345 -0.596 0.000 1.463 501 W CB 1.810 30.685 29.460 -0.976 0.000 0.966 501 W HN 0.093 8.058 8.180 -0.166 0.115 0.605 502 Y N -3.781 116.622 120.300 0.172 0.000 2.607 502 Y HA 0.064 nan 4.550 nan 0.000 0.266 502 Y C -0.396 175.520 175.900 0.026 0.000 1.178 502 Y CA -1.242 56.905 58.100 0.077 0.000 1.226 502 Y CB -0.793 37.684 38.460 0.030 0.000 1.144 502 Y HN -0.675 7.475 8.280 -0.217 0.000 0.528 503 E N -4.730 115.518 120.200 0.080 0.000 2.539 503 E HA -0.392 nan 4.350 nan 0.000 0.253 503 E C -0.997 175.632 176.600 0.048 0.000 1.145 503 E CA 1.027 57.459 56.400 0.052 0.000 0.738 503 E CB -2.147 27.588 29.700 0.057 0.000 1.308 503 E HN 0.082 8.400 8.360 0.024 0.056 0.409 504 L N -1.855 119.395 121.223 0.045 0.000 2.295 504 L HA 0.185 nan 4.340 nan 0.000 0.285 504 L C -0.005 176.860 176.870 -0.007 0.000 1.035 504 L CA -1.144 53.709 54.840 0.021 0.000 0.806 504 L CB 0.827 42.899 42.059 0.022 0.000 1.214 504 L HN -0.264 7.871 8.230 0.049 0.125 0.426 505 T N 5.967 120.527 114.554 0.009 0.000 2.913 505 T HA 0.192 nan 4.350 nan 0.000 0.297 505 T C -0.677 174.054 174.700 0.052 0.000 1.029 505 T CA -0.446 61.669 62.100 0.025 0.000 1.104 505 T CB -0.070 68.820 68.868 0.036 0.000 0.964 505 T HN -0.152 8.372 8.240 0.015 -0.275 0.532 506 P HA -0.217 nan 4.420 nan 0.000 0.216 506 P C 0.385 177.833 177.300 0.247 0.000 1.150 506 P CA 2.762 66.017 63.100 0.258 0.000 0.843 506 P CB 0.006 31.852 31.700 0.244 0.000 0.787 507 A N -3.506 119.402 122.820 0.148 0.000 1.933 507 A HA -0.283 nan 4.320 nan 0.000 0.218 507 A C 2.285 179.918 177.584 0.082 0.000 1.175 507 A CA 3.056 55.164 52.037 0.119 0.000 0.628 507 A CB -0.762 18.288 19.000 0.083 0.000 0.814 507 A HN 0.456 8.672 8.150 0.119 0.005 0.444 508 E N -2.061 118.169 120.200 0.049 0.000 2.047 508 E HA -0.344 nan 4.350 nan 0.000 0.191 508 E C 2.611 179.197 176.600 -0.023 0.000 0.987 508 E CA 3.167 59.576 56.400 0.014 0.000 0.799 508 E CB -0.227 29.476 29.700 0.005 0.000 0.752 508 E HN -0.547 7.729 8.360 0.054 0.116 0.449 509 T N 2.778 117.292 114.554 -0.067 0.000 2.759 509 T HA -0.256 nan 4.350 nan 0.000 0.269 509 T C 2.157 176.734 174.700 -0.205 0.000 1.042 509 T CA 5.075 67.040 62.100 -0.225 0.000 1.140 509 T CB -0.516 68.061 68.868 -0.486 0.000 0.864 509 T HN 0.200 8.420 8.240 -0.032 0.000 0.455 510 T N 4.572 119.111 114.554 -0.025 0.000 2.788 510 T HA -0.242 nan 4.350 nan 0.000 0.268 510 T C 1.714 176.451 174.700 0.061 0.000 1.044 510 T CA 5.056 67.216 62.100 0.100 0.000 1.139 510 T CB -0.634 68.369 68.868 0.224 0.000 0.867 510 T HN -0.006 8.274 8.240 0.070 0.003 0.454 511 V N 1.614 121.552 119.914 0.040 0.000 2.332 511 V HA -0.478 nan 4.120 nan 0.000 0.248 511 V C 1.972 178.084 176.094 0.030 0.000 1.055 511 V CA 4.394 66.716 62.300 0.037 0.000 1.038 511 V CB -0.996 30.842 31.823 0.024 0.000 0.651 511 V HN -0.441 7.667 8.190 0.035 0.103 0.450 512 R N -1.382 119.117 120.500 -0.002 0.000 2.073 512 R HA -0.254 nan 4.340 nan 0.000 0.229 512 R C 2.536 178.851 176.300 0.025 0.000 1.120 512 R CA 3.394 59.494 56.100 0.001 0.000 0.967 512 R CB -0.147 30.126 30.300 -0.045 0.000 0.862 512 R HN -0.726 7.529 8.270 -0.026 0.000 0.436 513 L N -1.458 119.753 121.223 -0.019 0.000 2.141 513 L HA -0.298 nan 4.340 nan 0.000 0.209 513 L C 2.114 179.065 176.870 0.136 0.000 1.094 513 L CA 2.722 57.572 54.840 0.016 0.000 0.763 513 L CB -0.567 41.461 42.059 -0.051 0.000 0.908 513 L HN 0.364 8.553 8.230 -0.068 0.000 0.437 514 R N -0.232 120.338 120.500 0.116 0.000 2.066 514 R HA -0.315 nan 4.340 nan 0.000 0.232 514 R C 1.838 178.216 176.300 0.130 0.000 1.131 514 R CA 2.452 58.629 56.100 0.128 0.000 0.955 514 R CB -0.951 29.411 30.300 0.103 0.000 0.851 514 R HN 0.356 8.556 8.270 0.083 0.120 0.432 515 A N -1.054 121.835 122.820 0.115 0.000 1.908 515 A HA -0.295 nan 4.320 nan 0.000 0.218 515 A C 2.019 179.682 177.584 0.132 0.000 1.181 515 A CA 2.895 54.995 52.037 0.104 0.000 0.627 515 A CB -1.032 18.020 19.000 0.086 0.000 0.818 515 A HN -0.527 7.682 8.150 0.098 0.000 0.445 516 Y N -0.930 119.392 120.300 0.037 0.000 2.128 516 Y HA -0.459 nan 4.550 nan 0.000 0.284 516 Y C 2.235 178.177 175.900 0.071 0.000 1.154 516 Y CA 3.921 62.046 58.100 0.042 0.000 1.149 516 Y CB 0.097 38.573 38.460 0.027 0.000 0.976 516 Y HN -0.529 7.909 8.280 0.262 0.000 0.505 517 M N -2.027 117.752 119.600 0.298 0.000 2.319 517 M HA -0.358 nan 4.480 nan 0.000 0.265 517 M C 1.506 177.862 176.300 0.093 0.000 1.068 517 M CA 3.102 58.525 55.300 0.204 0.000 1.118 517 M CB -0.142 32.584 32.600 0.210 0.000 1.395 517 M HN -0.271 8.140 8.290 0.328 0.076 0.435 518 N N -2.699 116.049 118.700 0.081 0.000 2.494 518 N HA 0.001 nan 4.740 nan 0.000 0.182 518 N C -0.236 175.292 175.510 0.031 0.000 1.076 518 N CA 0.707 53.790 53.050 0.055 0.000 0.908 518 N CB 0.460 38.983 38.487 0.060 0.000 0.967 518 N HN -0.182 8.125 8.380 0.104 0.135 0.449 519 T N -0.147 114.408 114.554 0.001 0.000 2.743 519 T HA 0.489 nan 4.350 nan 0.000 0.292 519 T C -2.160 172.539 174.700 -0.002 0.000 0.972 519 T CA -3.195 58.901 62.100 -0.007 0.000 0.967 519 T CB 0.433 69.279 68.868 -0.037 0.000 0.926 519 T HN -0.648 7.428 8.240 -0.016 0.155 0.459 520 P HA -0.077 nan 4.420 nan 0.000 0.269 520 P C 0.314 177.661 177.300 0.079 0.000 1.215 520 P CA 0.272 63.394 63.100 0.036 0.000 0.780 520 P CB 0.307 32.021 31.700 0.023 0.000 0.898 521 G N -1.628 107.172 108.800 0.001 0.000 2.175 521 G HA2 -0.287 nan 3.960 nan 0.000 0.244 521 G HA3 -0.287 nan 3.960 nan 0.000 0.244 521 G C -0.960 173.999 174.900 0.099 0.000 0.982 521 G CA 0.262 45.343 45.100 -0.031 0.000 0.641 521 G HN 0.185 8.467 8.290 -0.013 0.000 0.527 522 L N -1.161 120.085 121.223 0.039 0.000 2.358 522 L HA 0.274 nan 4.340 nan 0.000 0.268 522 L C -1.777 175.127 176.870 0.058 0.000 1.032 522 L CA -2.950 51.873 54.840 -0.029 0.000 0.805 522 L CB 0.681 42.516 42.059 -0.373 0.000 1.253 522 L HN -0.746 7.435 8.230 0.003 0.051 0.452 523 P HA 0.049 nan 4.420 nan 0.000 0.267 523 P C -1.806 175.734 177.300 0.401 0.000 1.200 523 P CA 0.050 63.342 63.100 0.321 0.000 0.772 523 P CB 0.229 32.198 31.700 0.449 0.000 0.855 524 V N -3.157 116.866 119.914 0.182 0.000 2.815 524 V HA 0.641 nan 4.120 nan 0.000 0.314 524 V C -1.706 174.101 176.094 -0.479 0.000 1.064 524 V CA -2.694 59.586 62.300 -0.032 0.000 0.952 524 V CB 3.021 34.827 31.823 -0.029 0.000 1.020 524 V HN 0.758 9.032 8.190 0.139 0.000 0.439 525 C N 0.407 119.348 119.300 -0.599 0.000 3.154 525 C HA 0.532 nan 4.460 nan 0.000 0.312 525 C C -0.758 174.019 174.990 -0.354 0.000 1.349 525 C CA -2.057 56.510 59.018 -0.751 0.000 1.518 525 C CB 2.740 29.715 27.740 -1.276 0.000 1.934 525 C HN 0.093 8.135 8.230 -0.313 0.000 0.462 526 Q N -0.181 119.406 119.800 -0.356 0.000 2.337 526 Q HA -0.109 nan 4.340 nan 0.000 0.270 526 Q C -0.125 175.703 176.000 -0.287 0.000 1.002 526 Q CA 0.250 55.847 55.803 -0.342 0.000 0.888 526 Q CB 0.807 29.221 28.738 -0.539 0.000 1.222 526 Q HN 0.342 8.378 8.270 -0.390 0.000 0.400 527 D N 3.094 123.460 120.400 -0.057 0.000 2.429 527 D HA -0.106 nan 4.640 nan 0.000 0.253 527 D C -0.185 176.287 176.300 0.287 0.000 1.294 527 D CA 0.445 54.504 54.000 0.099 0.000 1.063 527 D CB -0.832 40.028 40.800 0.099 0.000 1.096 527 D HN 0.378 8.727 8.370 -0.035 0.000 0.516 528 H N 2.933 122.129 119.070 0.211 0.000 2.475 528 H HA 0.291 nan 4.556 nan 0.000 0.276 528 H C 0.761 176.317 175.328 0.380 0.000 1.126 528 H CA -1.401 54.799 56.048 0.253 0.000 1.023 528 H CB 0.378 30.352 29.762 0.352 0.000 1.669 528 H HN 0.034 8.454 8.280 0.272 0.023 0.573 529 L N -0.139 121.343 121.223 0.432 0.000 2.017 529 L HA -0.481 nan 4.340 nan 0.000 0.208 529 L C 1.364 178.402 176.870 0.280 0.000 1.073 529 L CA 4.094 59.193 54.840 0.432 0.000 0.745 529 L CB -0.410 41.858 42.059 0.348 0.000 0.894 529 L HN -0.681 7.871 8.230 0.349 -0.112 0.432 530 E N -1.333 118.982 120.200 0.191 0.000 2.077 530 E HA -0.355 nan 4.350 nan 0.000 0.193 530 E C 1.851 178.463 176.600 0.020 0.000 0.989 530 E CA 2.826 59.285 56.400 0.098 0.000 0.800 530 E CB -1.387 28.360 29.700 0.077 0.000 0.746 530 E HN 0.260 8.739 8.360 0.199 0.000 0.452 531 F N 0.660 120.531 119.950 -0.132 0.000 2.051 531 F HA -0.378 nan 4.527 nan 0.000 0.296 531 F C 1.264 176.868 175.800 -0.327 0.000 1.122 531 F CA 2.474 60.280 58.000 -0.323 0.000 1.201 531 F CB -0.043 38.607 39.000 -0.583 0.000 0.978 531 F HN -0.593 7.808 8.300 0.169 0.000 0.472 532 W N -2.989 118.109 121.300 -0.338 0.000 2.374 532 W HA -0.469 nan 4.660 nan 0.000 0.288 532 W C 2.149 178.238 176.519 -0.718 0.000 1.218 532 W CA 3.124 60.136 57.345 -0.555 0.000 1.245 532 W CB 0.015 29.268 29.460 -0.344 0.000 1.126 532 W HN -0.057 8.127 8.180 0.007 0.000 0.545 533 E N -0.320 119.578 120.200 -0.503 0.000 2.072 533 E HA -0.361 nan 4.350 nan 0.000 0.191 533 E C 2.529 179.078 176.600 -0.086 0.000 0.985 533 E CA 3.060 59.286 56.400 -0.289 0.000 0.801 533 E CB -0.337 29.366 29.700 0.005 0.000 0.750 533 E HN -0.012 8.145 8.360 -0.316 0.014 0.452 534 G N -0.300 108.412 108.800 -0.146 0.000 2.459 534 G HA2 -0.371 nan 3.960 nan 0.000 0.217 534 G HA3 -0.371 nan 3.960 nan 0.000 0.217 534 G C 1.627 176.519 174.900 -0.013 0.000 1.183 534 G CA 2.274 47.321 45.100 -0.087 0.000 0.776 534 G HN 0.019 8.095 8.290 -0.210 0.087 0.552 535 V N 3.397 123.166 119.914 -0.241 0.000 2.231 535 V HA -0.451 nan 4.120 nan 0.000 0.248 535 V C 2.498 178.580 176.094 -0.021 0.000 1.054 535 V CA 3.786 66.004 62.300 -0.137 0.000 1.015 535 V CB -0.461 31.139 31.823 -0.371 0.000 0.638 535 V HN -0.137 7.738 8.190 -0.524 0.000 0.444 536 F N -2.695 117.249 119.950 -0.010 0.000 2.269 536 F HA -0.302 nan 4.527 nan 0.000 0.301 536 F C 2.909 178.685 175.800 -0.040 0.000 1.082 536 F CA 3.908 61.898 58.000 -0.016 0.000 1.360 536 F CB -0.608 38.370 39.000 -0.038 0.000 1.041 536 F HN -0.078 8.342 8.300 0.200 0.000 0.512 537 T N 1.401 116.039 114.554 0.140 0.000 2.881 537 T HA -0.210 nan 4.350 nan 0.000 0.270 537 T C 1.481 176.147 174.700 -0.057 0.000 1.068 537 T CA 3.896 66.042 62.100 0.076 0.000 1.131 537 T CB -0.737 68.197 68.868 0.109 0.000 0.871 537 T HN -0.063 8.242 8.240 0.150 0.025 0.479 538 G N -0.394 108.301 108.800 -0.175 0.000 2.777 538 G HA2 0.048 nan 3.960 nan 0.000 0.211 538 G HA3 0.048 nan 3.960 nan 0.000 0.211 538 G C -0.345 174.317 174.900 -0.397 0.000 1.149 538 G CA 0.154 44.824 45.100 -0.716 0.000 0.785 538 G HN -0.434 7.760 8.290 0.048 0.125 0.536 539 L N 3.144 124.194 121.223 -0.290 0.000 2.727 539 L HA 0.105 nan 4.340 nan 0.000 0.237 539 L C -0.921 175.788 176.870 -0.269 0.000 1.370 539 L CA -1.392 53.083 54.840 -0.609 0.000 1.248 539 L CB -2.293 39.326 42.059 -0.733 0.000 1.556 539 L HN -0.560 7.383 8.230 -0.184 0.176 0.420 540 T N -2.101 112.458 114.554 0.008 0.000 2.874 540 T HA 0.141 nan 4.350 nan 0.000 0.281 540 T C -0.324 174.575 174.700 0.332 0.000 0.994 540 T CA -0.766 61.430 62.100 0.159 0.000 1.015 540 T CB 1.046 69.957 68.868 0.071 0.000 1.028 540 T HN -0.292 7.858 8.240 -0.030 0.072 0.523 541 H N -1.246 117.980 119.070 0.259 0.000 2.765 541 H HA -0.234 nan 4.556 nan 0.000 0.332 541 H C -1.577 173.898 175.328 0.246 0.000 1.180 541 H CA -0.063 56.110 56.048 0.210 0.000 1.142 541 H CB -2.371 27.472 29.762 0.134 0.000 1.576 541 H HN 0.356 8.762 8.280 0.211 0.000 0.420 542 I N -0.624 120.126 120.570 0.301 0.000 2.886 542 I HA 0.031 nan 4.170 nan 0.000 0.299 542 I C -1.176 174.981 176.117 0.067 0.000 1.044 542 I CA -1.826 59.593 61.300 0.199 0.000 1.310 542 I CB 2.196 40.301 38.000 0.176 0.000 1.441 542 I HN -0.148 8.250 8.210 0.312 0.000 0.578 543 D N 4.065 124.476 120.400 0.019 0.000 2.325 543 D HA 0.066 nan 4.640 nan 0.000 0.251 543 D C 0.113 176.402 176.300 -0.019 0.000 1.196 543 D CA -0.547 53.437 54.000 -0.027 0.000 0.866 543 D CB 1.402 42.145 40.800 -0.094 0.000 1.101 543 D HN -0.167 8.213 8.370 0.016 0.000 0.476 544 A N 7.426 130.237 122.820 -0.016 0.000 1.972 544 A HA -0.362 nan 4.320 nan 0.000 0.219 544 A C 1.542 179.128 177.584 0.004 0.000 1.169 544 A CA 3.164 55.203 52.037 0.003 0.000 0.635 544 A CB -0.549 18.458 19.000 0.012 0.000 0.810 544 A HN 0.782 8.921 8.150 -0.017 0.000 0.446 545 H N -1.205 117.775 119.070 -0.151 0.000 2.357 545 H HA -0.190 nan 4.556 nan 0.000 0.301 545 H C 2.213 177.504 175.328 -0.061 0.000 1.082 545 H CA 3.027 58.981 56.048 -0.157 0.000 1.342 545 H CB -0.192 29.409 29.762 -0.267 0.000 1.389 545 H HN 0.048 8.365 8.280 -0.035 -0.058 0.511 546 F N -1.370 118.457 119.950 -0.205 0.000 2.146 546 F HA -0.254 nan 4.527 nan 0.000 0.298 546 F C 1.930 177.614 175.800 -0.194 0.000 1.096 546 F CA 2.194 60.045 58.000 -0.248 0.000 1.275 546 F CB -0.812 38.114 39.000 -0.123 0.000 1.008 546 F HN -0.339 8.040 8.300 -0.269 -0.240 0.480 547 L N -0.347 120.900 121.223 0.039 0.000 2.012 547 L HA -0.432 nan 4.340 nan 0.000 0.210 547 L C 1.525 178.334 176.870 -0.102 0.000 1.073 547 L CA 3.552 58.364 54.840 -0.047 0.000 0.748 547 L CB -0.473 41.553 42.059 -0.056 0.000 0.891 547 L HN -0.355 7.906 8.230 0.051 0.000 0.431 548 S N -1.883 113.764 115.700 -0.088 0.000 2.399 548 S HA -0.347 nan 4.470 nan 0.000 0.231 548 S C 2.455 177.015 174.600 -0.067 0.000 1.022 548 S CA 3.567 61.716 58.200 -0.084 0.000 0.983 548 S CB -0.643 62.552 63.200 -0.009 0.000 0.803 548 S HN -0.258 8.015 8.310 -0.061 0.000 0.480 549 Q N 1.239 120.984 119.800 -0.092 0.000 2.062 549 Q HA -0.135 nan 4.340 nan 0.000 0.196 549 Q C 2.477 178.458 176.000 -0.032 0.000 0.967 549 Q CA 3.046 58.811 55.803 -0.063 0.000 0.832 549 Q CB 0.096 28.770 28.738 -0.105 0.000 0.899 549 Q HN -0.682 7.382 8.270 -0.130 0.129 0.442 550 T N -2.053 112.476 114.554 -0.041 0.000 2.708 550 T HA -0.327 nan 4.350 nan 0.000 0.266 550 T C 1.873 176.568 174.700 -0.010 0.000 1.037 550 T CA 4.301 66.380 62.100 -0.036 0.000 1.146 550 T CB -0.655 68.190 68.868 -0.038 0.000 0.865 550 T HN 0.366 8.580 8.240 -0.043 0.000 0.435 551 K N -0.922 119.446 120.400 -0.054 0.000 2.439 551 K HA -0.177 nan 4.320 nan 0.000 0.197 551 K C 2.038 178.733 176.600 0.159 0.000 1.041 551 K CA 2.358 58.647 56.287 0.003 0.000 0.970 551 K CB -0.646 31.577 32.500 -0.461 0.000 0.773 551 K HN -0.124 8.059 8.250 -0.111 0.000 0.479 552 Q N 0.416 120.262 119.800 0.077 0.000 2.302 552 Q HA -0.059 nan 4.340 nan 0.000 0.202 552 Q C 1.310 177.362 176.000 0.085 0.000 0.936 552 Q CA 1.822 57.688 55.803 0.105 0.000 0.886 552 Q CB 0.513 29.291 28.738 0.066 0.000 0.986 552 Q HN -0.460 7.662 8.270 0.016 0.158 0.487 553 S N -2.315 113.419 115.700 0.056 0.000 2.561 553 S HA -0.050 nan 4.470 nan 0.000 0.225 553 S C 0.582 175.208 174.600 0.043 0.000 0.977 553 S CA 0.266 58.487 58.200 0.035 0.000 0.926 553 S CB 0.352 63.553 63.200 0.001 0.000 0.769 553 S HN -0.421 7.804 8.310 0.041 0.109 0.533 554 G N 0.807 109.654 108.800 0.078 0.000 2.148 554 G HA2 -0.274 nan 3.960 nan 0.000 0.254 554 G HA3 -0.274 nan 3.960 nan 0.000 0.254 554 G C 0.289 175.223 174.900 0.057 0.000 0.981 554 G CA 0.218 45.364 45.100 0.077 0.000 0.670 554 G HN -0.570 7.615 8.290 0.109 0.170 0.528 555 E N 0.556 120.784 120.200 0.046 0.000 2.465 555 E HA -0.155 nan 4.350 nan 0.000 0.260 555 E C -0.189 176.451 176.600 0.068 0.000 0.980 555 E CA 0.084 56.499 56.400 0.026 0.000 0.927 555 E CB 0.601 30.295 29.700 -0.011 0.000 0.934 555 E HN -0.879 7.462 8.360 0.046 0.047 0.459 556 N N 5.295 124.042 118.700 0.078 0.000 2.094 556 N HA -0.210 nan 4.740 nan 0.000 0.191 556 N C -0.127 175.364 175.510 -0.033 0.000 1.023 556 N CA 2.313 55.402 53.050 0.065 0.000 0.857 556 N CB 0.295 38.895 38.487 0.188 0.000 1.013 556 N HN 0.302 8.722 8.380 0.066 0.000 0.426 557 F N -2.868 117.111 119.950 0.048 0.000 2.531 557 F HA 0.383 nan 4.527 nan 0.000 0.333 557 F C -1.859 174.004 175.800 0.105 0.000 1.292 557 F CA -3.240 54.816 58.000 0.092 0.000 1.184 557 F CB -0.103 38.949 39.000 0.085 0.000 1.426 557 F HN -0.466 8.043 8.300 0.349 0.000 0.559 558 P HA -0.360 nan 4.420 nan 0.000 0.217 558 P C 0.940 178.332 177.300 0.153 0.000 1.151 558 P CA 2.874 66.047 63.100 0.121 0.000 0.849 558 P CB -0.014 31.716 31.700 0.050 0.000 0.787 559 Y N -1.102 119.295 120.300 0.161 0.000 2.220 559 Y HA -0.327 nan 4.550 nan 0.000 0.291 559 Y C 2.110 178.204 175.900 0.322 0.000 1.129 559 Y CA 4.003 62.241 58.100 0.231 0.000 1.161 559 Y CB 0.509 39.135 38.460 0.277 0.000 0.997 559 Y HN -0.591 8.290 8.280 0.366 -0.382 0.522 560 L N -1.937 119.557 121.223 0.451 0.000 2.027 560 L HA -0.443 nan 4.340 nan 0.000 0.206 560 L C 2.412 179.501 176.870 0.364 0.000 1.074 560 L CA 3.297 58.341 54.840 0.339 0.000 0.745 560 L CB -0.391 41.707 42.059 0.064 0.000 0.898 560 L HN -0.280 8.508 8.230 0.520 -0.246 0.433 561 V N -0.405 119.655 119.914 0.244 0.000 2.237 561 V HA -0.488 nan 4.120 nan 0.000 0.245 561 V C 1.700 177.904 176.094 0.184 0.000 1.046 561 V CA 4.586 66.983 62.300 0.162 0.000 1.007 561 V CB -1.223 30.544 31.823 -0.093 0.000 0.638 561 V HN 0.105 8.432 8.190 0.229 0.000 0.445 562 A N -0.943 121.923 122.820 0.077 0.000 1.940 562 A HA -0.320 nan 4.320 nan 0.000 0.219 562 A C 1.653 179.258 177.584 0.034 0.000 1.176 562 A CA 3.165 55.220 52.037 0.031 0.000 0.631 562 A CB -0.712 18.283 19.000 -0.008 0.000 0.814 562 A HN -0.148 8.039 8.150 0.062 0.000 0.446 563 Y N -0.006 120.248 120.300 -0.075 0.000 2.163 563 Y HA -0.432 nan 4.550 nan 0.000 0.288 563 Y C 1.559 177.444 175.900 -0.025 0.000 1.136 563 Y CA 4.025 62.083 58.100 -0.069 0.000 1.147 563 Y CB 0.192 38.619 38.460 -0.056 0.000 0.987 563 Y HN -0.174 8.099 8.280 0.148 0.095 0.509 564 Q N -0.104 119.774 119.800 0.129 0.000 2.135 564 Q HA -0.450 nan 4.340 nan 0.000 0.204 564 Q C 2.206 178.062 176.000 -0.241 0.000 0.981 564 Q CA 2.761 58.510 55.803 -0.089 0.000 0.856 564 Q CB -0.608 28.166 28.738 0.060 0.000 0.902 564 Q HN 0.022 8.494 8.270 0.337 0.000 0.425 565 A N -1.821 120.922 122.820 -0.129 0.000 1.933 565 A HA -0.280 nan 4.320 nan 0.000 0.218 565 A C 2.055 179.433 177.584 -0.342 0.000 1.175 565 A CA 3.316 55.140 52.037 -0.355 0.000 0.628 565 A CB -0.919 17.759 19.000 -0.537 0.000 0.814 565 A HN 0.112 8.293 8.150 0.060 0.005 0.444 566 T N 2.796 117.252 114.554 -0.162 0.000 2.674 566 T HA -0.328 nan 4.350 nan 0.000 0.265 566 T C 1.888 176.483 174.700 -0.175 0.000 1.039 566 T CA 5.138 67.223 62.100 -0.025 0.000 1.150 566 T CB -0.413 68.329 68.868 -0.208 0.000 0.864 566 T HN -0.301 7.734 8.240 -0.170 0.103 0.427 567 V N 1.256 120.947 119.914 -0.372 0.000 2.332 567 V HA -0.410 nan 4.120 nan 0.000 0.248 567 V C 1.790 177.725 176.094 -0.264 0.000 1.055 567 V CA 4.617 66.690 62.300 -0.378 0.000 1.038 567 V CB -0.932 30.520 31.823 -0.619 0.000 0.651 567 V HN 0.016 7.916 8.190 -0.484 0.000 0.450 568 C N -1.277 117.848 119.300 -0.292 0.000 2.462 568 C HA -0.340 nan 4.460 nan 0.000 0.278 568 C C 1.940 176.841 174.990 -0.149 0.000 1.253 568 C CA 4.408 63.266 59.018 -0.266 0.000 1.713 568 C CB -2.382 25.133 27.740 -0.376 0.000 2.049 568 C HN -0.311 7.708 8.230 -0.337 0.009 0.477 569 A N 0.028 122.806 122.820 -0.069 0.000 1.865 569 A HA -0.367 nan 4.320 nan 0.000 0.217 569 A C 2.449 180.051 177.584 0.030 0.000 1.191 569 A CA 3.228 55.303 52.037 0.063 0.000 0.623 569 A CB -0.920 18.267 19.000 0.311 0.000 0.826 569 A HN 0.391 8.483 8.150 -0.098 0.000 0.444 570 R N -1.709 118.800 120.500 0.014 0.000 2.159 570 R HA -0.274 nan 4.340 nan 0.000 0.237 570 R C 1.127 177.426 176.300 -0.001 0.000 1.131 570 R CA 2.515 58.621 56.100 0.009 0.000 0.982 570 R CB -0.016 30.289 30.300 0.008 0.000 0.868 570 R HN 0.389 8.663 8.270 0.007 0.000 0.453 571 A N -4.309 118.493 122.820 -0.030 0.000 2.308 571 A HA 0.145 nan 4.320 nan 0.000 0.217 571 A C -0.968 176.539 177.584 -0.128 0.000 1.216 571 A CA -0.786 51.220 52.037 -0.051 0.000 0.864 571 A CB 0.034 19.009 19.000 -0.042 0.000 0.902 571 A HN -0.719 7.255 8.150 -0.053 0.144 0.499 572 Q N -4.868 114.866 119.800 -0.110 0.000 2.461 572 Q HA -0.466 nan 4.340 nan 0.000 0.273 572 Q C -1.240 174.552 176.000 -0.346 0.000 1.163 572 Q CA 0.694 56.404 55.803 -0.155 0.000 0.929 572 Q CB -2.287 26.404 28.738 -0.079 0.000 1.334 572 Q HN -0.118 7.902 8.270 -0.062 0.213 0.499 573 A N -0.990 121.675 122.820 -0.258 0.000 2.306 573 A HA 0.527 nan 4.320 nan 0.000 0.330 573 A C -2.846 174.608 177.584 -0.217 0.000 1.146 573 A CA -2.800 49.080 52.037 -0.262 0.000 0.827 573 A CB 0.618 19.479 19.000 -0.233 0.000 1.178 573 A HN 0.002 8.017 8.150 -0.195 0.019 0.490 574 P HA 0.387 nan 4.420 nan 0.000 0.279 574 P C -1.926 175.049 177.300 -0.542 0.000 1.252 574 P CA -2.036 60.909 63.100 -0.259 0.000 0.811 574 P CB -0.834 30.818 31.700 -0.080 0.000 1.035 575 P HA 0.170 nan 4.420 nan 0.000 0.274 575 P C -1.414 175.258 177.300 -1.048 0.000 1.260 575 P CA -1.450 60.943 63.100 -1.179 0.000 0.793 575 P CB -1.443 29.360 31.700 -1.494 0.000 1.048 576 P HA -0.140 nan 4.420 nan 0.000 0.217 576 P C -0.938 176.094 177.300 -0.447 0.000 1.148 576 P CA 2.133 64.858 63.100 -0.625 0.000 0.828 576 P CB 0.467 31.871 31.700 -0.493 0.000 0.783 577 S N -5.166 110.211 115.700 -0.539 0.000 2.727 577 S HA 0.148 nan 4.470 nan 0.000 0.278 577 S C -1.899 172.499 174.600 -0.338 0.000 1.186 577 S CA -1.545 56.505 58.200 -0.251 0.000 0.836 577 S CB 1.940 65.160 63.200 0.034 0.000 1.186 577 S HN -0.718 7.030 8.310 -0.907 0.018 0.499 578 W N -0.468 120.904 121.300 0.120 0.000 2.764 578 W HA 0.275 nan 4.660 nan 0.000 0.427 578 W C -1.305 175.306 176.519 0.154 0.000 0.896 578 W CA -0.782 56.645 57.345 0.138 0.000 2.307 578 W CB 0.499 29.996 29.460 0.062 0.000 1.192 578 W HN 0.289 8.598 8.180 0.215 0.000 0.731 579 D N 0.927 121.529 120.400 0.337 0.000 2.358 579 D HA 0.042 nan 4.640 nan 0.000 0.244 579 D C 0.940 177.318 176.300 0.130 0.000 1.163 579 D CA 0.376 54.494 54.000 0.196 0.000 0.945 579 D CB 0.852 41.731 40.800 0.131 0.000 1.152 579 D HN -0.700 7.814 8.370 0.375 0.081 0.451 580 Q N 2.240 122.071 119.800 0.052 0.000 2.290 580 Q HA -0.288 nan 4.340 nan 0.000 0.211 580 Q C 1.677 177.607 176.000 -0.117 0.000 0.991 580 Q CA 2.691 58.495 55.803 0.003 0.000 0.893 580 Q CB -0.512 28.220 28.738 -0.010 0.000 0.913 580 Q HN 0.536 8.838 8.270 0.053 0.000 0.428 581 M N -2.241 117.178 119.600 -0.302 0.000 2.346 581 M HA -0.253 nan 4.480 nan 0.000 0.263 581 M C 0.734 176.515 176.300 -0.864 0.000 1.064 581 M CA 2.224 57.121 55.300 -0.670 0.000 1.083 581 M CB 0.047 32.051 32.600 -0.993 0.000 1.399 581 M HN -0.204 7.902 8.290 -0.237 0.042 0.435 582 W N -4.533 116.736 121.300 -0.052 0.000 2.616 582 W HA 0.183 nan 4.660 nan 0.000 0.419 582 W C -0.121 176.405 176.519 0.012 0.000 0.835 582 W CA -1.718 55.560 57.345 -0.112 0.000 2.483 582 W CB -1.016 28.278 29.460 -0.277 0.000 1.289 582 W HN -0.010 7.913 8.180 -0.168 0.156 0.755 583 K N 1.216 121.700 120.400 0.141 0.000 2.148 583 K HA -0.187 nan 4.320 nan 0.000 0.204 583 K C 1.461 178.160 176.600 0.164 0.000 1.050 583 K CA 2.835 59.221 56.287 0.165 0.000 0.942 583 K CB -1.157 31.395 32.500 0.087 0.000 0.724 583 K HN -0.330 7.863 8.250 0.020 0.069 0.446 584 C N -5.252 114.105 119.300 0.095 0.000 2.411 584 C HA -0.123 nan 4.460 nan 0.000 0.279 584 C C 1.428 176.503 174.990 0.142 0.000 1.288 584 C CA 0.782 59.853 59.018 0.089 0.000 1.764 584 C CB -1.809 25.884 27.740 -0.080 0.000 1.974 584 C HN 0.007 8.240 8.230 0.047 0.025 0.498 585 L N -0.866 120.428 121.223 0.117 0.000 2.611 585 L HA 0.155 nan 4.340 nan 0.000 0.229 585 L C 0.901 178.022 176.870 0.418 0.000 1.137 585 L CA -0.355 54.599 54.840 0.189 0.000 0.901 585 L CB -0.331 41.731 42.059 0.006 0.000 1.098 585 L HN -0.790 7.490 8.230 0.129 0.028 0.456 586 I N -0.109 120.690 120.570 0.382 0.000 2.163 586 I HA -0.504 nan 4.170 nan 0.000 0.240 586 I C 2.143 178.336 176.117 0.126 0.000 1.081 586 I CA 4.047 65.496 61.300 0.248 0.000 1.353 586 I CB -0.334 37.764 38.000 0.163 0.000 1.054 586 I HN -0.153 8.062 8.210 0.313 0.183 0.407 587 R N -0.366 120.220 120.500 0.144 0.000 2.139 587 R HA -0.248 nan 4.340 nan 0.000 0.243 587 R C 1.236 177.600 176.300 0.107 0.000 1.145 587 R CA 2.526 58.691 56.100 0.110 0.000 0.976 587 R CB -1.452 28.926 30.300 0.129 0.000 0.866 587 R HN 0.237 8.612 8.270 0.175 0.000 0.449 588 L N -3.760 117.557 121.223 0.157 0.000 2.509 588 L HA 0.025 nan 4.340 nan 0.000 0.222 588 L C 1.700 178.656 176.870 0.143 0.000 1.123 588 L CA 0.181 55.110 54.840 0.150 0.000 0.856 588 L CB -0.371 41.800 42.059 0.186 0.000 0.985 588 L HN -0.653 7.672 8.230 0.202 0.026 0.456 589 K N 1.088 121.577 120.400 0.149 0.000 2.108 589 K HA -0.345 nan 4.320 nan 0.000 0.219 589 K C -0.671 175.967 176.600 0.063 0.000 1.054 589 K CA 5.179 61.521 56.287 0.092 0.000 0.945 589 K CB -2.022 30.323 32.500 -0.259 0.000 0.728 589 K HN -0.168 7.990 8.250 0.155 0.184 0.462 590 P HA -0.140 nan 4.420 nan 0.000 0.219 590 P C 0.555 177.901 177.300 0.076 0.000 1.146 590 P CA 2.057 65.174 63.100 0.028 0.000 0.808 590 P CB -0.110 31.596 31.700 0.011 0.000 0.779 591 T N -7.516 107.102 114.554 0.107 0.000 3.057 591 T HA 0.060 nan 4.350 nan 0.000 0.254 591 T C 0.032 174.879 174.700 0.245 0.000 1.094 591 T CA 0.216 62.408 62.100 0.153 0.000 1.088 591 T CB 0.535 69.479 68.868 0.126 0.000 0.934 591 T HN 0.328 8.496 8.240 0.101 0.132 0.497 592 L N 3.340 124.672 121.223 0.182 0.000 2.361 592 L HA 0.137 nan 4.340 nan 0.000 0.278 592 L C -0.521 176.432 176.870 0.137 0.000 1.113 592 L CA 0.162 55.069 54.840 0.111 0.000 0.849 592 L CB -0.249 41.897 42.059 0.145 0.000 1.155 592 L HN -0.671 7.501 8.230 0.170 0.160 0.452 593 H N 1.395 120.487 119.070 0.037 0.000 2.851 593 H HA 0.254 nan 4.556 nan 0.000 0.372 593 H C -1.045 174.285 175.328 0.002 0.000 1.158 593 H CA -1.497 54.565 56.048 0.025 0.000 1.159 593 H CB 2.320 32.093 29.762 0.018 0.000 1.757 593 H HN 0.894 8.762 8.280 -0.509 0.107 0.546 594 G N 0.464 109.298 108.800 0.056 0.000 2.610 594 G HA2 -0.269 nan 3.960 nan 0.000 0.304 594 G HA3 -0.269 nan 3.960 nan 0.000 0.304 594 G C -3.135 171.734 174.900 -0.052 0.000 1.309 594 G CA -0.784 44.316 45.100 -0.002 0.000 0.906 594 G HN 0.207 8.560 8.290 0.105 0.000 0.521 595 P HA 0.143 nan 4.420 nan 0.000 0.281 595 P C -1.235 175.983 177.300 -0.137 0.000 1.249 595 P CA -0.740 62.308 63.100 -0.087 0.000 0.810 595 P CB 0.981 32.642 31.700 -0.064 0.000 1.008 596 T N 3.926 118.375 114.554 -0.176 0.000 2.761 596 T HA 0.251 nan 4.350 nan 0.000 0.296 596 T C -0.848 173.718 174.700 -0.223 0.000 0.934 596 T CA -0.656 61.295 62.100 -0.248 0.000 1.091 596 T CB -0.331 68.344 68.868 -0.322 0.000 0.896 596 T HN 0.584 8.623 8.240 -0.163 0.103 0.515 597 P HA 0.177 nan 4.420 nan 0.000 0.260 597 P C -1.701 175.421 177.300 -0.298 0.000 1.651 597 P CA -0.857 62.125 63.100 -0.197 0.000 1.139 597 P CB -0.463 31.144 31.700 -0.156 0.000 1.756 598 L N 3.880 124.945 121.223 -0.263 0.000 2.500 598 L HA -0.106 nan 4.340 nan 0.000 0.272 598 L C 0.008 176.662 176.870 -0.361 0.000 1.149 598 L CA 0.237 54.890 54.840 -0.313 0.000 0.897 598 L CB 0.236 42.157 42.059 -0.231 0.000 1.178 598 L HN -0.344 7.749 8.230 -0.204 0.014 0.473 599 L N 7.380 128.252 121.223 -0.585 0.000 2.168 599 L HA 0.031 nan 4.340 nan 0.000 0.203 599 L C -0.909 175.479 176.870 -0.802 0.000 1.078 599 L CA 1.940 56.312 54.840 -0.780 0.000 0.780 599 L CB 0.654 41.975 42.059 -1.230 0.000 0.939 599 L HN 0.411 8.584 8.230 -0.641 -0.327 0.451 600 Y N -7.958 112.161 120.300 -0.301 0.000 2.818 600 Y HA 0.354 nan 4.550 nan 0.000 0.341 600 Y C -1.899 173.822 175.900 -0.299 0.000 1.283 600 Y CA -2.398 55.399 58.100 -0.505 0.000 1.075 600 Y CB 0.487 38.286 38.460 -1.101 0.000 1.370 600 Y HN -0.923 6.856 8.280 -0.835 0.000 0.448 601 R N -0.647 119.847 120.500 -0.010 0.000 2.387 601 R HA 0.481 nan 4.340 nan 0.000 0.314 601 R C -0.636 175.705 176.300 0.068 0.000 0.958 601 R CA -0.828 55.298 56.100 0.044 0.000 0.846 601 R CB 1.777 32.082 30.300 0.008 0.000 1.147 601 R HN 0.502 8.697 8.270 -0.125 0.000 0.447 602 L N 1.017 122.316 121.223 0.127 0.000 2.966 602 L HA 0.313 nan 4.340 nan 0.000 0.262 602 L C 0.137 177.049 176.870 0.070 0.000 1.165 602 L CA 0.239 55.120 54.840 0.069 0.000 0.978 602 L CB 1.249 43.368 42.059 0.100 0.000 1.337 602 L HN 0.633 8.976 8.230 0.188 0.000 0.563 603 G N -1.720 107.142 108.800 0.104 0.000 2.428 603 G HA2 0.036 nan 3.960 nan 0.000 0.305 603 G HA3 0.036 nan 3.960 nan 0.000 0.305 603 G C -2.311 172.640 174.900 0.086 0.000 1.260 603 G CA 0.215 45.370 45.100 0.091 0.000 0.853 603 G HN -0.705 7.598 8.290 0.113 0.055 0.480 604 A N -0.139 122.730 122.820 0.082 0.000 2.401 604 A HA 0.294 nan 4.320 nan 0.000 0.259 604 A C -0.611 176.996 177.584 0.037 0.000 1.103 604 A CA 0.111 52.179 52.037 0.052 0.000 0.789 604 A CB 0.808 19.837 19.000 0.048 0.000 1.035 604 A HN 0.315 8.520 8.150 0.090 0.000 0.491 605 V N -0.938 118.975 119.914 -0.002 0.000 2.277 605 V HA 0.324 nan 4.120 nan 0.000 0.269 605 V C -0.487 175.579 176.094 -0.046 0.000 1.036 605 V CA -1.136 61.133 62.300 -0.051 0.000 0.821 605 V CB -1.096 30.683 31.823 -0.073 0.000 1.052 605 V HN 0.181 8.371 8.190 0.001 0.000 0.462 606 Q N 5.571 125.341 119.800 -0.050 0.000 2.259 606 Q HA -0.011 nan 4.340 nan 0.000 0.201 606 Q C 0.870 176.848 176.000 -0.038 0.000 0.938 606 Q CA 1.245 57.033 55.803 -0.024 0.000 0.872 606 Q CB 0.916 29.661 28.738 0.012 0.000 0.971 606 Q HN 0.453 8.680 8.270 -0.072 0.000 0.494 607 N N 0.159 118.811 118.700 -0.080 0.000 2.326 607 N HA -0.082 nan 4.740 nan 0.000 0.239 607 N C -1.269 174.194 175.510 -0.078 0.000 1.301 607 N CA -0.204 52.799 53.050 -0.078 0.000 0.909 607 N CB 0.912 39.315 38.487 -0.141 0.000 1.156 607 N HN -0.677 7.628 8.380 -0.125 0.000 0.462 608 E N -0.911 119.253 120.200 -0.061 0.000 2.404 608 E HA -0.043 nan 4.350 nan 0.000 0.261 608 E C -1.366 175.183 176.600 -0.086 0.000 1.074 608 E CA 0.746 57.112 56.400 -0.057 0.000 0.917 608 E CB 1.213 30.890 29.700 -0.038 0.000 0.965 608 E HN 0.210 8.542 8.360 -0.046 0.000 0.433 609 V N 1.397 121.263 119.914 -0.079 0.000 2.769 609 V HA 0.518 nan 4.120 nan 0.000 0.312 609 V C -1.013 175.035 176.094 -0.076 0.000 1.061 609 V CA -1.131 61.111 62.300 -0.097 0.000 0.931 609 V CB 3.003 34.767 31.823 -0.097 0.000 1.010 609 V HN -0.032 8.121 8.190 -0.062 0.000 0.433 610 T N 4.895 119.400 114.554 -0.082 0.000 2.887 610 T HA 0.491 nan 4.350 nan 0.000 0.288 610 T C -1.435 173.233 174.700 -0.054 0.000 1.021 610 T CA -1.349 60.718 62.100 -0.055 0.000 1.000 610 T CB 1.813 70.654 68.868 -0.044 0.000 1.034 610 T HN 0.558 8.734 8.240 -0.106 0.000 0.467 611 L N 4.493 125.696 121.223 -0.034 0.000 3.066 611 L HA 0.340 nan 4.340 nan 0.000 0.265 611 L C 0.285 177.154 176.870 -0.001 0.000 1.232 611 L CA -0.030 54.794 54.840 -0.026 0.000 1.031 611 L CB -0.312 41.732 42.059 -0.026 0.000 1.379 611 L HN 0.324 8.536 8.230 -0.029 0.000 0.563 612 T N -5.320 109.236 114.554 0.004 0.000 3.081 612 T HA -0.002 nan 4.350 nan 0.000 0.250 612 T C 0.401 175.110 174.700 0.016 0.000 1.100 612 T CA -0.021 62.081 62.100 0.003 0.000 1.038 612 T CB 0.032 68.891 68.868 -0.014 0.000 0.962 612 T HN -0.526 7.644 8.240 -0.003 0.067 0.516 613 H N 4.636 123.678 119.070 -0.046 0.000 2.848 613 H HA 0.200 nan 4.556 nan 0.000 0.341 613 H C -1.072 174.250 175.328 -0.009 0.000 1.060 613 H CA -1.407 54.617 56.048 -0.041 0.000 1.444 613 H CB 0.885 30.604 29.762 -0.071 0.000 1.446 613 H HN -0.410 7.894 8.280 0.115 0.045 0.583 614 P HA -0.286 nan 4.420 nan 0.000 0.216 614 P C 1.208 178.634 177.300 0.210 0.000 1.153 614 P CA 2.759 65.880 63.100 0.036 0.000 0.858 614 P CB 0.247 31.905 31.700 -0.070 0.000 0.789 615 I N -4.052 116.750 120.570 0.388 0.000 2.226 615 I HA -0.423 nan 4.170 nan 0.000 0.245 615 I C 1.895 178.151 176.117 0.232 0.000 1.100 615 I CA 2.677 64.156 61.300 0.300 0.000 1.374 615 I CB -1.300 36.860 38.000 0.267 0.000 1.057 615 I HN -0.460 8.168 8.210 0.698 0.000 0.413 616 T N 2.473 117.121 114.554 0.156 0.000 2.708 616 T HA -0.356 nan 4.350 nan 0.000 0.266 616 T C 2.232 176.984 174.700 0.088 0.000 1.037 616 T CA 5.017 67.153 62.100 0.060 0.000 1.146 616 T CB -0.663 68.214 68.868 0.015 0.000 0.865 616 T HN 0.064 8.349 8.240 0.212 0.082 0.435 617 K N 1.255 121.717 120.400 0.104 0.000 2.097 617 K HA -0.332 nan 4.320 nan 0.000 0.206 617 K C 2.037 178.693 176.600 0.093 0.000 1.049 617 K CA 3.455 59.789 56.287 0.078 0.000 0.933 617 K CB -0.311 32.230 32.500 0.067 0.000 0.717 617 K HN -0.320 8.001 8.250 0.118 0.000 0.442 618 Y N 1.142 121.467 120.300 0.042 0.000 2.089 618 Y HA -0.404 nan 4.550 nan 0.000 0.282 618 Y C 1.980 177.902 175.900 0.037 0.000 1.139 618 Y CA 3.581 61.704 58.100 0.038 0.000 1.123 618 Y CB 0.111 38.600 38.460 0.048 0.000 0.980 618 Y HN -0.268 8.090 8.280 0.278 0.089 0.493 619 I N -1.838 118.801 120.570 0.115 0.000 2.335 619 I HA -0.664 nan 4.170 nan 0.000 0.251 619 I C 2.165 178.291 176.117 0.015 0.000 1.129 619 I CA 3.639 64.973 61.300 0.057 0.000 1.402 619 I CB -0.201 37.934 38.000 0.225 0.000 1.069 619 I HN 0.131 8.524 8.210 0.305 0.000 0.424 620 M N -2.945 116.666 119.600 0.018 0.000 2.229 620 M HA -0.364 nan 4.480 nan 0.000 0.264 620 M C 1.925 178.205 176.300 -0.034 0.000 1.063 620 M CA 3.934 59.243 55.300 0.017 0.000 1.114 620 M CB -0.276 32.333 32.600 0.015 0.000 1.387 620 M HN -0.140 8.070 8.290 0.037 0.101 0.420 621 T N -2.109 112.381 114.554 -0.105 0.000 2.962 621 T HA -0.144 nan 4.350 nan 0.000 0.270 621 T C 1.592 176.204 174.700 -0.146 0.000 1.088 621 T CA 3.143 65.164 62.100 -0.131 0.000 1.127 621 T CB -0.820 67.946 68.868 -0.170 0.000 0.883 621 T HN -0.254 7.804 8.240 -0.131 0.104 0.493 622 C N 0.179 119.372 119.300 -0.178 0.000 2.448 622 C HA -0.010 nan 4.460 nan 0.000 0.280 622 C C 1.425 176.484 174.990 0.115 0.000 1.398 622 C CA 2.594 61.555 59.018 -0.096 0.000 1.774 622 C CB -1.727 25.878 27.740 -0.226 0.000 1.888 622 C HN -0.377 7.570 8.230 -0.224 0.149 0.519 623 M N -0.107 119.538 119.600 0.076 0.000 2.288 623 M HA -0.080 nan 4.480 nan 0.000 0.266 623 M C 0.652 176.893 176.300 -0.100 0.000 1.072 623 M CA 0.719 56.014 55.300 -0.008 0.000 1.132 623 M CB -0.434 32.183 32.600 0.029 0.000 1.386 623 M HN -0.352 7.794 8.290 0.037 0.166 0.432 624 S N 0.000 115.658 115.700 -0.070 0.000 2.498 624 S HA 0.000 nan 4.470 nan 0.000 0.327 624 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 624 S CB 0.000 63.165 63.200 -0.058 0.000 0.593 624 S HN 0.000 8.181 8.310 -0.052 0.098 0.517