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 2e9f_1_B DATA FIRST_RESID 13 DATA SEQUENCE GPDALAARFN ASLAFDRALW REDLWQNRVH ARMLHAVGLL SAEELEAILK DATA SEQUENCE GLDRIEEEIE AGTFPWREEL EDVHMNLEAR LTELVGPPGG KLHTARSRND DATA SEQUENCE QVATDLRLYL RGAIDELLAL LLALRRVLVR EAEKHLDPLY VLPGYTHLQR DATA SEQUENCE AQPVLLAHWF LAYYEMLKRD AGRLEDAKER LNESPLGAAA LAGTGFPIDR DATA SEQUENCE HFTARELGFK APMRNSLDAV ASRDFALEVL SALNIGMLHL SRMAEELILY DATA SEQUENCE STEEFGFVEV PDAFATGSSI MPQKKNPDIL ELIRAKAGRV LGAFVGLSAV DATA SEQUENCE VKGLPLAYNK DLQEDKEPLL DALATYRDSL RLLAALLPGL KWRRERMWRA DATA SEQUENCE AEGGYTLATE LADYLAEKGL PFREAHHVVG RLVRRLVEEG RALKDLTLEE DATA SEQUENCE LQAHHPLFAE DALPLLRLET AIHRRRSYGG TAPEAVRERL EEAKKEVGLD 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 13 G HA2 0.000 nan 3.960 nan 0.000 0.244 13 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 13 G C 0.000 174.900 174.900 -0.000 0.000 0.946 13 G CA 0.000 45.101 45.100 0.002 0.000 0.502 14 P HA 0.261 nan 4.420 nan 0.000 0.269 14 P C 0.067 177.363 177.300 -0.006 0.000 1.231 14 P CA 0.582 63.673 63.100 -0.015 0.000 0.865 14 P CB 0.968 32.655 31.700 -0.022 0.000 1.243 15 D N 1.076 121.478 120.400 0.004 0.000 2.234 15 D HA 0.015 4.658 4.640 0.004 0.000 0.205 15 D C 2.053 178.368 176.300 0.025 0.000 0.962 15 D CA 1.204 55.212 54.000 0.014 0.000 0.855 15 D CB -0.368 40.440 40.800 0.014 0.000 0.951 15 D HN 0.172 nan 8.370 nan 0.000 0.500 16 A N 0.535 123.369 122.820 0.024 0.000 1.898 16 A HA 0.017 4.340 4.320 0.004 0.000 0.214 16 A C 2.053 179.666 177.584 0.048 0.000 1.183 16 A CA 0.417 52.474 52.037 0.034 0.000 0.622 16 A CB -0.759 18.258 19.000 0.027 0.000 0.824 16 A HN 0.235 nan 8.150 nan 0.000 0.444 17 L N -0.468 120.776 121.223 0.034 0.000 2.042 17 L HA -0.222 4.120 4.340 0.004 0.000 0.210 17 L C 2.913 179.829 176.870 0.077 0.000 1.076 17 L CA 1.512 56.377 54.840 0.042 0.000 0.749 17 L CB -0.449 41.604 42.059 -0.010 0.000 0.893 17 L HN 0.443 nan 8.230 nan 0.000 0.432 18 A N -0.185 122.663 122.820 0.046 0.000 1.865 18 A HA -0.250 4.072 4.320 0.004 0.000 0.217 18 A C 2.462 180.135 177.584 0.147 0.000 1.191 18 A CA 1.995 54.082 52.037 0.082 0.000 0.623 18 A CB -1.011 18.015 19.000 0.043 0.000 0.826 18 A HN 0.563 nan 8.150 nan 0.000 0.444 19 A N -0.518 122.362 122.820 0.100 0.000 1.873 19 A HA -0.249 4.073 4.320 0.004 0.000 0.218 19 A C 2.281 179.930 177.584 0.109 0.000 1.193 19 A CA 2.129 54.221 52.037 0.092 0.000 0.629 19 A CB -0.581 18.457 19.000 0.063 0.000 0.826 19 A HN 0.559 nan 8.150 nan 0.000 0.447 20 R N -2.072 118.499 120.500 0.119 0.000 2.083 20 R HA -0.152 4.191 4.340 0.004 0.000 0.237 20 R C 1.986 178.387 176.300 0.168 0.000 1.137 20 R CA 1.818 57.991 56.100 0.122 0.000 0.951 20 R CB -0.462 29.908 30.300 0.117 0.000 0.851 20 R HN 0.506 nan 8.270 nan 0.000 0.434 21 F N 1.324 121.300 119.950 0.043 0.000 2.126 21 F HA -0.216 4.313 4.527 0.004 0.000 0.299 21 F C 2.012 177.852 175.800 0.066 0.000 1.096 21 F CA 2.150 60.181 58.000 0.050 0.000 1.255 21 F CB -0.357 38.665 39.000 0.038 0.000 0.997 21 F HN 0.114 nan 8.300 nan 0.000 0.479 22 N N 0.337 119.149 118.700 0.188 0.000 2.250 22 N HA 0.047 4.789 4.740 0.004 0.000 0.181 22 N C 0.501 176.036 175.510 0.043 0.000 1.017 22 N CA 0.707 53.816 53.050 0.098 0.000 0.866 22 N CB -0.313 38.255 38.487 0.134 0.000 0.985 22 N HN 0.219 nan 8.380 nan 0.000 0.429 23 A N -0.378 122.465 122.820 0.037 0.000 2.555 23 A HA 0.174 4.496 4.320 0.004 0.000 0.233 23 A C 1.003 178.528 177.584 -0.098 0.000 1.060 23 A CA 0.739 52.765 52.037 -0.019 0.000 0.759 23 A CB 0.007 19.002 19.000 -0.008 0.000 0.995 23 A HN 0.531 nan 8.150 nan 0.000 0.506 24 S N 1.130 116.665 115.700 -0.274 0.000 2.687 24 S HA 0.058 4.531 4.470 0.004 0.000 0.247 24 S C 1.274 175.305 174.600 -0.948 0.000 1.050 24 S CA 0.401 58.117 58.200 -0.808 0.000 1.063 24 S CB -0.327 62.503 63.200 -0.617 0.000 1.039 24 S HN 0.803 nan 8.310 nan 0.000 0.580 25 L N 2.915 123.874 121.223 -0.441 0.000 2.129 25 L HA 0.062 4.404 4.340 0.004 0.000 0.212 25 L C 2.490 179.149 176.870 -0.351 0.000 1.087 25 L CA 1.965 56.612 54.840 -0.322 0.000 0.757 25 L CB -1.049 40.943 42.059 -0.111 0.000 0.896 25 L HN 0.410 nan 8.230 nan 0.000 0.434 26 A N -0.632 122.022 122.820 -0.278 0.000 1.986 26 A HA -0.219 4.104 4.320 0.004 0.000 0.220 26 A C 1.931 179.472 177.584 -0.072 0.000 1.171 26 A CA 2.245 54.208 52.037 -0.123 0.000 0.640 26 A CB -0.951 18.067 19.000 0.030 0.000 0.811 26 A HN 0.737 nan 8.150 nan 0.000 0.451 27 F N -0.799 119.076 119.950 -0.124 0.000 2.667 27 F HA 0.204 4.734 4.527 0.005 0.000 0.288 27 F C 1.293 177.001 175.800 -0.154 0.000 1.086 27 F CA 0.251 58.173 58.000 -0.129 0.000 1.297 27 F CB -0.366 38.574 39.000 -0.102 0.000 1.059 27 F HN 0.176 nan 8.300 nan 0.000 0.624 28 D N 1.888 122.000 120.400 -0.481 0.000 2.350 28 D HA -0.180 4.462 4.640 0.004 0.000 0.216 28 D C 1.809 177.968 176.300 -0.236 0.000 0.968 28 D CA 0.846 54.666 54.000 -0.300 0.000 0.894 28 D CB -0.654 39.911 40.800 -0.393 0.000 0.909 28 D HN 0.557 nan 8.370 nan 0.000 0.520 29 R N 0.641 120.969 120.500 -0.287 0.000 2.152 29 R HA 0.057 4.400 4.340 0.004 0.000 0.232 29 R C 2.085 178.356 176.300 -0.047 0.000 1.117 29 R CA 1.147 57.056 56.100 -0.318 0.000 0.981 29 R CB -0.743 29.070 30.300 -0.811 0.000 0.870 29 R HN 0.179 nan 8.270 nan 0.000 0.451 30 A N 1.525 124.300 122.820 -0.074 0.000 2.084 30 A HA -0.084 4.238 4.320 0.004 0.000 0.221 30 A C 1.668 179.234 177.584 -0.030 0.000 1.161 30 A CA 1.067 53.103 52.037 -0.002 0.000 0.653 30 A CB -0.159 18.777 19.000 -0.108 0.000 0.802 30 A HN 0.244 nan 8.150 nan 0.000 0.457 31 L N -0.192 120.977 121.223 -0.091 0.000 2.653 31 L HA 0.076 4.419 4.340 0.004 0.000 0.231 31 L C 1.916 178.794 176.870 0.014 0.000 1.153 31 L CA -0.150 54.647 54.840 -0.072 0.000 0.933 31 L CB -0.665 41.334 42.059 -0.101 0.000 1.175 31 L HN 0.785 nan 8.230 nan 0.000 0.473 32 W N -0.058 121.252 121.300 0.016 0.000 2.331 32 W HA -0.207 4.455 4.660 0.003 0.000 0.291 32 W C 1.588 178.159 176.519 0.088 0.000 1.214 32 W CA 0.735 58.119 57.345 0.064 0.000 1.228 32 W CB -0.870 28.663 29.460 0.120 0.000 1.135 32 W HN 0.220 nan 8.180 nan 0.000 0.537 33 R N 0.740 120.733 120.500 -0.845 0.000 2.073 33 R HA -0.111 4.232 4.340 0.004 0.000 0.229 33 R C 2.109 178.321 176.300 -0.147 0.000 1.120 33 R CA 1.890 57.548 56.100 -0.736 0.000 0.967 33 R CB -0.286 29.498 30.300 -0.861 0.000 0.862 33 R HN 0.076 nan 8.270 nan 0.000 0.436 34 E N 0.528 120.719 120.200 -0.016 0.000 2.106 34 E HA -0.169 4.183 4.350 0.004 0.000 0.192 34 E C 1.435 178.143 176.600 0.180 0.000 0.984 34 E CA 1.157 57.658 56.400 0.170 0.000 0.806 34 E CB -0.179 29.639 29.700 0.196 0.000 0.750 34 E HN 0.188 nan 8.360 nan 0.000 0.458 35 D N -0.372 120.119 120.400 0.150 0.000 2.149 35 D HA -0.052 4.590 4.640 0.004 0.000 0.201 35 D C 1.726 178.134 176.300 0.180 0.000 0.972 35 D CA 0.600 54.709 54.000 0.181 0.000 0.835 35 D CB 0.042 40.962 40.800 0.200 0.000 0.966 35 D HN 0.115 nan 8.370 nan 0.000 0.476 36 L N -0.636 120.695 121.223 0.180 0.000 2.027 36 L HA -0.130 4.212 4.340 0.004 0.000 0.206 36 L C 2.244 179.265 176.870 0.253 0.000 1.074 36 L CA 0.835 55.791 54.840 0.193 0.000 0.745 36 L CB -0.402 41.761 42.059 0.173 0.000 0.898 36 L HN 0.274 nan 8.230 nan 0.000 0.433 37 W N 1.102 122.413 121.300 0.018 0.000 2.355 37 W HA -0.254 4.408 4.660 0.003 0.000 0.309 37 W C 2.671 179.228 176.519 0.064 0.000 1.206 37 W CA 1.805 59.161 57.345 0.019 0.000 1.284 37 W CB -0.658 28.790 29.460 -0.022 0.000 1.145 37 W HN 0.240 nan 8.180 nan 0.000 0.502 38 Q N 0.132 120.017 119.800 0.142 0.000 2.084 38 Q HA -0.245 4.097 4.340 0.004 0.000 0.202 38 Q C 2.021 178.095 176.000 0.122 0.000 0.978 38 Q CA 1.971 57.789 55.803 0.025 0.000 0.844 38 Q CB -0.530 28.232 28.738 0.039 0.000 0.898 38 Q HN 0.139 nan 8.270 nan 0.000 0.426 39 N N 0.565 119.357 118.700 0.154 0.000 2.036 39 N HA -0.182 4.560 4.740 0.004 0.000 0.195 39 N C 1.764 177.390 175.510 0.194 0.000 1.037 39 N CA 1.657 54.808 53.050 0.169 0.000 0.855 39 N CB -0.292 38.285 38.487 0.150 0.000 1.033 39 N HN 0.287 nan 8.380 nan 0.000 0.423 40 R N 0.351 120.972 120.500 0.203 0.000 2.082 40 R HA -0.077 4.265 4.340 0.004 0.000 0.234 40 R C 2.261 178.683 176.300 0.203 0.000 1.136 40 R CA 1.357 57.576 56.100 0.199 0.000 0.935 40 R CB -0.820 29.621 30.300 0.235 0.000 0.842 40 R HN 0.039 nan 8.270 nan 0.000 0.430 41 V N 0.819 120.857 119.914 0.207 0.000 2.252 41 V HA -0.327 3.795 4.120 0.004 0.000 0.249 41 V C 2.499 178.737 176.094 0.240 0.000 1.056 41 V CA 2.190 64.611 62.300 0.201 0.000 1.022 41 V CB -0.879 30.968 31.823 0.041 0.000 0.641 41 V HN 0.487 nan 8.190 nan 0.000 0.445 42 H N 0.318 119.453 119.070 0.109 0.000 2.421 42 H HA -0.113 4.445 4.556 0.003 0.000 0.298 42 H C 2.199 177.562 175.328 0.059 0.000 1.087 42 H CA 1.818 57.912 56.048 0.077 0.000 1.330 42 H CB 0.118 29.905 29.762 0.042 0.000 1.388 42 H HN 0.409 nan 8.280 nan 0.000 0.526 43 A N 1.344 124.235 122.820 0.119 0.000 1.898 43 A HA -0.099 4.223 4.320 0.004 0.000 0.216 43 A C 2.620 180.210 177.584 0.010 0.000 1.181 43 A CA 0.963 53.035 52.037 0.057 0.000 0.620 43 A CB -0.407 18.660 19.000 0.110 0.000 0.819 43 A HN 0.385 nan 8.150 nan 0.000 0.442 44 R N -1.226 119.318 120.500 0.073 0.000 2.096 44 R HA -0.079 4.264 4.340 0.004 0.000 0.235 44 R C 2.293 178.554 176.300 -0.064 0.000 1.127 44 R CA 1.400 57.553 56.100 0.089 0.000 0.968 44 R CB -0.339 30.100 30.300 0.232 0.000 0.861 44 R HN 0.586 nan 8.270 nan 0.000 0.440 45 M N 1.001 120.505 119.600 -0.160 0.000 2.099 45 M HA -0.142 4.340 4.480 0.004 0.000 0.262 45 M C 1.982 178.076 176.300 -0.345 0.000 1.067 45 M CA 1.719 56.749 55.300 -0.450 0.000 1.124 45 M CB -0.324 32.107 32.600 -0.283 0.000 1.353 45 M HN 0.170 nan 8.290 nan 0.000 0.410 46 L N -0.384 120.651 121.223 -0.314 0.000 2.129 46 L HA -0.287 4.055 4.340 0.004 0.000 0.212 46 L C 2.586 179.376 176.870 -0.133 0.000 1.087 46 L CA 1.762 56.452 54.840 -0.250 0.000 0.757 46 L CB -1.135 40.785 42.059 -0.233 0.000 0.896 46 L HN 0.479 nan 8.230 nan 0.000 0.434 47 H N -0.043 118.921 119.070 -0.177 0.000 2.284 47 H HA -0.049 4.508 4.556 0.002 0.000 0.304 47 H C 2.180 177.420 175.328 -0.148 0.000 1.069 47 H CA 1.474 57.447 56.048 -0.126 0.000 1.327 47 H CB -0.090 29.619 29.762 -0.088 0.000 1.387 47 H HN 0.194 nan 8.280 nan 0.000 0.498 48 A N 0.091 122.742 122.820 -0.282 0.000 1.997 48 A HA -0.158 4.164 4.320 0.004 0.000 0.221 48 A C 2.507 179.906 177.584 -0.308 0.000 1.172 48 A CA 1.920 53.749 52.037 -0.347 0.000 0.645 48 A CB -0.998 17.732 19.000 -0.449 0.000 0.813 48 A HN 0.374 nan 8.150 nan 0.000 0.454 49 V N -1.557 118.192 119.914 -0.275 0.000 3.541 49 V HA 0.273 4.395 4.120 0.004 0.000 0.267 49 V C 1.848 177.850 176.094 -0.153 0.000 1.213 49 V CA 1.277 63.462 62.300 -0.192 0.000 1.149 49 V CB -0.283 31.439 31.823 -0.168 0.000 0.822 49 V HN 1.106 nan 8.190 nan 0.000 0.462 50 G N -0.189 108.495 108.800 -0.194 0.000 2.194 50 G HA2 -0.249 3.713 3.960 0.004 0.000 0.236 50 G HA3 -0.249 3.713 3.960 0.004 0.000 0.236 50 G C 0.755 175.608 174.900 -0.079 0.000 0.987 50 G CA 0.396 45.410 45.100 -0.143 0.000 0.635 50 G HN 0.423 nan 8.290 nan 0.000 0.520 51 L N -0.738 120.441 121.223 -0.075 0.000 2.478 51 L HA 0.401 4.743 4.340 0.004 0.000 0.223 51 L C 0.831 177.688 176.870 -0.023 0.000 1.140 51 L CA 0.568 55.383 54.840 -0.042 0.000 0.842 51 L CB 0.051 42.054 42.059 -0.093 0.000 0.953 51 L HN 0.285 nan 8.230 nan 0.000 0.452 52 L N -0.816 120.407 121.223 0.000 0.000 2.431 52 L HA 0.324 4.667 4.340 0.004 0.000 0.266 52 L C 0.061 177.032 176.870 0.169 0.000 0.978 52 L CA -0.439 54.439 54.840 0.063 0.000 0.822 52 L CB 2.027 44.120 42.059 0.058 0.000 1.310 52 L HN -0.065 nan 8.230 nan 0.000 0.409 53 S N 3.169 118.943 115.700 0.123 0.000 2.548 53 S HA 0.518 4.990 4.470 0.004 0.000 0.277 53 S C 1.366 176.042 174.600 0.127 0.000 1.315 53 S CA -0.009 58.277 58.200 0.144 0.000 1.050 53 S CB 1.400 64.641 63.200 0.069 0.000 0.918 53 S HN 0.999 nan 8.310 nan 0.000 0.497 54 A N 3.044 125.963 122.820 0.165 0.000 1.915 54 A HA -0.217 4.106 4.320 0.004 0.000 0.220 54 A C 1.985 179.510 177.584 -0.099 0.000 1.198 54 A CA 2.365 54.329 52.037 -0.122 0.000 0.647 54 A CB -1.367 17.645 19.000 0.019 0.000 0.825 54 A HN 0.940 nan 8.150 nan 0.000 0.456 55 E N -0.088 120.100 120.200 -0.020 0.000 2.070 55 E HA -0.192 4.160 4.350 0.004 0.000 0.197 55 E C 2.003 178.590 176.600 -0.021 0.000 1.004 55 E CA 1.731 58.121 56.400 -0.017 0.000 0.805 55 E CB -0.263 29.439 29.700 0.003 0.000 0.744 55 E HN 0.805 nan 8.360 nan 0.000 0.451 56 E N 0.066 120.260 120.200 -0.010 0.000 2.031 56 E HA -0.186 4.167 4.350 0.004 0.000 0.193 56 E C 2.147 178.736 176.600 -0.019 0.000 0.994 56 E CA 0.974 57.372 56.400 -0.003 0.000 0.800 56 E CB -0.250 29.460 29.700 0.017 0.000 0.752 56 E HN 0.117 nan 8.360 nan 0.000 0.447 57 L N 1.838 123.029 121.223 -0.055 0.000 2.043 57 L HA -0.220 4.123 4.340 0.004 0.000 0.212 57 L C 2.217 179.050 176.870 -0.061 0.000 1.075 57 L CA 1.832 56.628 54.840 -0.075 0.000 0.752 57 L CB -0.347 41.589 42.059 -0.205 0.000 0.891 57 L HN 0.023 nan 8.230 nan 0.000 0.432 58 E N -0.077 120.076 120.200 -0.079 0.000 2.097 58 E HA -0.239 4.114 4.350 0.004 0.000 0.196 58 E C 2.079 178.669 176.600 -0.017 0.000 1.000 58 E CA 1.510 57.881 56.400 -0.049 0.000 0.804 58 E CB -0.266 29.405 29.700 -0.049 0.000 0.740 58 E HN 0.666 nan 8.360 nan 0.000 0.454 59 A N 0.913 123.727 122.820 -0.011 0.000 1.854 59 A HA -0.093 4.229 4.320 0.004 0.000 0.214 59 A C 2.406 179.999 177.584 0.015 0.000 1.192 59 A CA 1.116 53.154 52.037 0.003 0.000 0.611 59 A CB -0.709 18.294 19.000 0.004 0.000 0.832 59 A HN 0.229 nan 8.150 nan 0.000 0.442 60 I N 0.041 120.622 120.570 0.019 0.000 2.113 60 I HA -0.326 3.846 4.170 0.004 0.000 0.242 60 I C 2.432 178.576 176.117 0.044 0.000 1.064 60 I CA 1.526 62.848 61.300 0.037 0.000 1.320 60 I CB -0.501 37.525 38.000 0.044 0.000 1.028 60 I HN 0.303 nan 8.210 nan 0.000 0.406 61 L N 0.716 121.960 121.223 0.035 0.000 2.083 61 L HA -0.246 4.096 4.340 0.004 0.000 0.209 61 L C 3.147 180.041 176.870 0.040 0.000 1.083 61 L CA 1.820 56.687 54.840 0.044 0.000 0.752 61 L CB -0.976 41.102 42.059 0.032 0.000 0.899 61 L HN 0.300 nan 8.230 nan 0.000 0.433 62 K N 0.510 120.926 120.400 0.027 0.000 2.025 62 K HA -0.045 4.277 4.320 0.004 0.000 0.207 62 K C 2.142 178.761 176.600 0.033 0.000 1.049 62 K CA 1.295 57.597 56.287 0.025 0.000 0.933 62 K CB -1.758 30.750 32.500 0.014 0.000 0.714 62 K HN 0.449 nan 8.250 nan 0.000 0.438 63 G N 0.825 109.645 108.800 0.033 0.000 2.450 63 G HA2 -0.149 3.813 3.960 0.004 0.000 0.220 63 G HA3 -0.149 3.813 3.960 0.004 0.000 0.220 63 G C 1.736 176.671 174.900 0.058 0.000 1.130 63 G CA 0.963 46.086 45.100 0.038 0.000 0.760 63 G HN 0.408 nan 8.290 nan 0.000 0.557 64 L N 0.332 121.597 121.223 0.069 0.000 2.201 64 L HA -0.030 4.312 4.340 0.004 0.000 0.212 64 L C 2.308 179.234 176.870 0.094 0.000 1.105 64 L CA 0.831 55.726 54.840 0.092 0.000 0.775 64 L CB -0.242 41.878 42.059 0.101 0.000 0.913 64 L HN 0.098 nan 8.230 nan 0.000 0.440 65 D N -0.387 120.057 120.400 0.074 0.000 2.123 65 D HA -0.114 4.529 4.640 0.004 0.000 0.200 65 D C 2.351 178.692 176.300 0.068 0.000 0.976 65 D CA 0.692 54.734 54.000 0.070 0.000 0.831 65 D CB -0.082 40.749 40.800 0.050 0.000 0.974 65 D HN 0.038 nan 8.370 nan 0.000 0.469 66 R N 0.635 121.168 120.500 0.055 0.000 2.091 66 R HA -0.037 4.306 4.340 0.004 0.000 0.238 66 R C 2.492 178.832 176.300 0.067 0.000 1.136 66 R CA 0.364 56.492 56.100 0.047 0.000 0.959 66 R CB -0.852 29.465 30.300 0.029 0.000 0.856 66 R HN 0.320 nan 8.270 nan 0.000 0.437 67 I N 0.496 121.122 120.570 0.094 0.000 2.127 67 I HA -0.303 3.870 4.170 0.004 0.000 0.241 67 I C 2.539 178.709 176.117 0.088 0.000 1.075 67 I CA 1.523 62.908 61.300 0.142 0.000 1.334 67 I CB -0.322 37.773 38.000 0.159 0.000 1.040 67 I HN 0.287 nan 8.210 nan 0.000 0.405 68 E N 0.967 121.240 120.200 0.120 0.000 2.118 68 E HA -0.265 4.088 4.350 0.004 0.000 0.195 68 E C 1.977 178.636 176.600 0.099 0.000 0.992 68 E CA 1.476 57.987 56.400 0.184 0.000 0.804 68 E CB 0.056 29.902 29.700 0.243 0.000 0.741 68 E HN 0.516 nan 8.360 nan 0.000 0.458 69 E N 0.388 120.633 120.200 0.075 0.000 2.072 69 E HA -0.188 4.165 4.350 0.004 0.000 0.191 69 E C 2.120 178.733 176.600 0.022 0.000 0.985 69 E CA 1.155 57.585 56.400 0.050 0.000 0.801 69 E CB -0.072 29.653 29.700 0.041 0.000 0.750 69 E HN 0.360 nan 8.360 nan 0.000 0.452 70 E N 0.700 120.916 120.200 0.027 0.000 2.085 70 E HA -0.190 4.162 4.350 0.004 0.000 0.194 70 E C 2.196 178.791 176.600 -0.007 0.000 0.994 70 E CA 0.895 57.311 56.400 0.027 0.000 0.801 70 E CB -0.122 29.621 29.700 0.071 0.000 0.743 70 E HN 0.321 nan 8.360 nan 0.000 0.453 71 I N 1.253 121.751 120.570 -0.120 0.000 2.202 71 I HA -0.221 3.951 4.170 0.004 0.000 0.242 71 I C 2.158 178.114 176.117 -0.268 0.000 1.091 71 I CA 1.099 62.191 61.300 -0.347 0.000 1.368 71 I CB -0.284 37.141 38.000 -0.958 0.000 1.058 71 I HN 0.054 nan 8.210 nan 0.000 0.410 72 E N 0.829 120.937 120.200 -0.154 0.000 2.409 72 E HA -0.091 4.262 4.350 0.004 0.000 0.198 72 E C 1.593 178.195 176.600 0.004 0.000 1.024 72 E CA 0.909 57.299 56.400 -0.017 0.000 0.861 72 E CB 0.066 29.817 29.700 0.086 0.000 0.788 72 E HN 0.475 nan 8.360 nan 0.000 0.521 73 A N 0.060 122.877 122.820 -0.005 0.000 2.470 73 A HA 0.399 4.721 4.320 0.004 0.000 0.251 73 A C 1.416 179.009 177.584 0.014 0.000 1.245 73 A CA 0.438 52.481 52.037 0.010 0.000 0.932 73 A CB 0.247 19.254 19.000 0.011 0.000 1.037 73 A HN 0.202 nan 8.150 nan 0.000 0.522 74 G N 0.189 108.999 108.800 0.017 0.000 2.225 74 G HA2 -0.282 3.681 3.960 0.004 0.000 0.267 74 G HA3 -0.282 3.681 3.960 0.004 0.000 0.267 74 G C 0.578 175.510 174.900 0.053 0.000 1.024 74 G CA 1.195 46.324 45.100 0.049 0.000 0.784 74 G HN 1.261 nan 8.290 nan 0.000 0.507 75 T N -2.856 111.720 114.554 0.035 0.000 3.132 75 T HA 0.485 4.837 4.350 0.004 0.000 0.274 75 T C 0.376 175.054 174.700 -0.037 0.000 1.011 75 T CA -0.247 61.854 62.100 0.002 0.000 0.899 75 T CB 0.285 69.144 68.868 -0.015 0.000 1.089 75 T HN 0.630 nan 8.240 nan 0.000 0.543 76 F N 5.038 124.864 119.950 -0.206 0.000 2.438 76 F HA 0.420 4.949 4.527 0.004 0.000 0.356 76 F C -2.084 173.456 175.800 -0.433 0.000 1.099 76 F CA -2.685 55.071 58.000 -0.406 0.000 1.185 76 F CB 1.226 39.820 39.000 -0.678 0.000 1.115 76 F HN -0.100 nan 8.300 nan 0.000 0.526 77 P HA -0.044 nan 4.420 nan 0.000 0.241 77 P C -1.135 175.916 177.300 -0.416 0.000 1.760 77 P CA -0.027 62.757 63.100 -0.528 0.000 1.081 77 P CB -0.694 30.715 31.700 -0.486 0.000 1.975 78 W N 2.989 124.324 121.300 0.057 0.000 2.692 78 W HA 0.108 4.772 4.660 0.007 0.000 0.339 78 W C 0.956 177.495 176.519 0.034 0.000 1.415 78 W CA -0.313 57.126 57.345 0.156 0.000 1.389 78 W CB 0.172 29.710 29.460 0.130 0.000 1.492 78 W HN 0.105 nan 8.180 nan 0.000 0.545 79 R N 2.607 123.242 120.500 0.224 0.000 2.310 79 R HA 0.090 4.432 4.340 0.004 0.000 0.324 79 R C 1.064 177.436 176.300 0.120 0.000 0.955 79 R CA -0.703 55.468 56.100 0.118 0.000 0.830 79 R CB 1.363 31.680 30.300 0.029 0.000 1.154 79 R HN 0.369 nan 8.270 nan 0.000 0.458 80 E N 2.721 122.976 120.200 0.092 0.000 2.118 80 E HA -0.243 4.109 4.350 0.004 0.000 0.195 80 E C 1.211 177.839 176.600 0.046 0.000 0.992 80 E CA 1.756 58.192 56.400 0.060 0.000 0.804 80 E CB 0.284 30.010 29.700 0.043 0.000 0.741 80 E HN 0.639 nan 8.360 nan 0.000 0.458 81 E N 0.203 120.428 120.200 0.042 0.000 2.333 81 E HA -0.219 4.134 4.350 0.004 0.000 0.200 81 E C 1.560 178.179 176.600 0.033 0.000 1.010 81 E CA 0.905 57.324 56.400 0.033 0.000 0.841 81 E CB -0.354 29.360 29.700 0.024 0.000 0.757 81 E HN 0.385 nan 8.360 nan 0.000 0.508 82 L N 0.225 121.473 121.223 0.041 0.000 2.611 82 L HA 0.101 4.444 4.340 0.004 0.000 0.229 82 L C 0.809 177.704 176.870 0.042 0.000 1.137 82 L CA 0.316 55.181 54.840 0.042 0.000 0.901 82 L CB -0.318 41.771 42.059 0.051 0.000 1.098 82 L HN 0.106 nan 8.230 nan 0.000 0.456 83 E N -0.157 120.063 120.200 0.033 0.000 4.724 83 E HA -0.300 4.053 4.350 0.004 0.000 0.169 83 E C -0.103 176.483 176.600 -0.025 0.000 1.223 83 E CA 2.016 58.423 56.400 0.012 0.000 2.386 83 E CB -0.753 28.962 29.700 0.024 0.000 1.790 83 E HN 0.731 nan 8.360 nan 0.000 0.449 84 D N -1.165 119.228 120.400 -0.011 0.000 2.610 84 D HA 0.345 4.988 4.640 0.004 0.000 0.271 84 D C 0.456 176.733 176.300 -0.039 0.000 1.174 84 D CA -0.065 53.886 54.000 -0.082 0.000 0.949 84 D CB 1.035 41.776 40.800 -0.098 0.000 1.430 84 D HN -0.013 nan 8.370 nan 0.000 0.467 85 V N 0.092 119.914 119.914 -0.152 0.000 2.392 85 V HA -0.261 3.862 4.120 0.004 0.000 0.249 85 V C 1.661 177.734 176.094 -0.034 0.000 1.059 85 V CA 2.077 64.371 62.300 -0.010 0.000 1.051 85 V CB -0.958 30.797 31.823 -0.114 0.000 0.658 85 V HN 0.620 nan 8.190 nan 0.000 0.455 86 H N -0.933 118.161 119.070 0.041 0.000 2.253 86 H HA -0.211 4.348 4.556 0.004 0.000 0.296 86 H C 2.144 177.451 175.328 -0.035 0.000 1.074 86 H CA 2.204 58.236 56.048 -0.026 0.000 1.263 86 H CB -0.345 29.358 29.762 -0.098 0.000 1.363 86 H HN 0.439 nan 8.280 nan 0.000 0.489 87 M N 0.899 120.556 119.600 0.094 0.000 2.296 87 M HA -0.122 4.361 4.480 0.004 0.000 0.265 87 M C 1.514 177.856 176.300 0.069 0.000 1.064 87 M CA 1.180 56.507 55.300 0.046 0.000 1.109 87 M CB -0.361 32.260 32.600 0.036 0.000 1.396 87 M HN 0.192 nan 8.290 nan 0.000 0.430 88 N N -0.156 118.614 118.700 0.116 0.000 2.106 88 N HA -0.119 4.624 4.740 0.004 0.000 0.188 88 N C 1.473 177.130 175.510 0.245 0.000 1.029 88 N CA 1.423 54.580 53.050 0.178 0.000 0.848 88 N CB -0.107 38.563 38.487 0.306 0.000 1.007 88 N HN 0.296 nan 8.380 nan 0.000 0.423 89 L N 1.789 123.124 121.223 0.186 0.000 2.072 89 L HA -0.043 4.299 4.340 0.004 0.000 0.205 89 L C 2.342 179.290 176.870 0.129 0.000 1.079 89 L CA 1.309 56.257 54.840 0.180 0.000 0.752 89 L CB -0.865 41.249 42.059 0.092 0.000 0.906 89 L HN 0.182 nan 8.230 nan 0.000 0.436 90 E N -0.524 119.724 120.200 0.079 0.000 2.031 90 E HA -0.256 4.096 4.350 0.004 0.000 0.193 90 E C 2.254 178.871 176.600 0.029 0.000 0.994 90 E CA 1.277 57.703 56.400 0.042 0.000 0.800 90 E CB -0.078 29.623 29.700 0.003 0.000 0.752 90 E HN 0.439 nan 8.360 nan 0.000 0.447 91 A N 1.145 123.976 122.820 0.018 0.000 1.892 91 A HA -0.267 4.055 4.320 0.004 0.000 0.218 91 A C 2.151 179.707 177.584 -0.047 0.000 1.188 91 A CA 2.027 54.054 52.037 -0.016 0.000 0.631 91 A CB -0.623 18.359 19.000 -0.031 0.000 0.822 91 A HN 0.115 nan 8.150 nan 0.000 0.447 92 R N -0.434 120.028 120.500 -0.064 0.000 2.081 92 R HA -0.093 4.249 4.340 0.004 0.000 0.235 92 R C 1.934 178.207 176.300 -0.045 0.000 1.131 92 R CA 1.774 57.797 56.100 -0.129 0.000 0.960 92 R CB -1.137 29.043 30.300 -0.200 0.000 0.856 92 R HN 0.462 nan 8.270 nan 0.000 0.436 93 L N 0.126 121.360 121.223 0.018 0.000 2.042 93 L HA -0.130 4.212 4.340 0.004 0.000 0.210 93 L C 1.743 178.618 176.870 0.007 0.000 1.076 93 L CA 2.321 57.177 54.840 0.028 0.000 0.749 93 L CB -0.901 41.189 42.059 0.052 0.000 0.893 93 L HN 0.239 nan 8.230 nan 0.000 0.432 94 T N -0.737 113.818 114.554 0.002 0.000 2.915 94 T HA -0.131 4.222 4.350 0.004 0.000 0.269 94 T C 1.615 176.304 174.700 -0.018 0.000 1.071 94 T CA 1.485 63.584 62.100 -0.002 0.000 1.132 94 T CB -0.211 68.658 68.868 0.001 0.000 0.878 94 T HN 0.506 nan 8.240 nan 0.000 0.479 95 E N 0.653 120.831 120.200 -0.038 0.000 2.158 95 E HA 0.078 4.431 4.350 0.004 0.000 0.191 95 E C 2.032 178.605 176.600 -0.044 0.000 0.982 95 E CA 0.575 56.944 56.400 -0.052 0.000 0.823 95 E CB -0.106 29.542 29.700 -0.088 0.000 0.766 95 E HN 0.419 nan 8.360 nan 0.000 0.468 96 L N 0.104 121.304 121.223 -0.038 0.000 2.131 96 L HA 0.006 4.348 4.340 0.004 0.000 0.206 96 L C 1.740 178.603 176.870 -0.012 0.000 1.087 96 L CA 0.526 55.350 54.840 -0.026 0.000 0.767 96 L CB 0.390 42.438 42.059 -0.018 0.000 0.917 96 L HN 0.007 nan 8.230 nan 0.000 0.441 97 V N 0.084 119.994 119.914 -0.005 0.000 2.838 97 V HA 0.434 4.557 4.120 0.004 0.000 0.363 97 V C 0.856 176.951 176.094 0.002 0.000 1.324 97 V CA 0.270 62.570 62.300 0.000 0.000 1.220 97 V CB -0.478 31.350 31.823 0.008 0.000 1.328 97 V HN 0.515 nan 8.190 nan 0.000 0.595 98 G N 2.440 111.238 108.800 -0.003 0.000 2.602 98 G HA2 -0.306 3.656 3.960 0.004 0.000 0.306 98 G HA3 -0.306 3.656 3.960 0.004 0.000 0.306 98 G C -0.869 174.035 174.900 0.006 0.000 1.301 98 G CA 0.481 45.580 45.100 -0.001 0.000 0.974 98 G HN 0.448 nan 8.290 nan 0.000 0.547 99 P HA -0.072 nan 4.420 nan 0.000 0.217 99 P C -1.030 176.281 177.300 0.018 0.000 1.158 99 P CA 3.010 66.118 63.100 0.013 0.000 0.887 99 P CB -0.751 30.956 31.700 0.013 0.000 0.792 100 P HA -0.221 nan 4.420 nan 0.000 0.218 100 P C 1.679 178.997 177.300 0.030 0.000 1.154 100 P CA 2.361 65.475 63.100 0.022 0.000 0.872 100 P CB -0.992 30.718 31.700 0.017 0.000 0.790 101 G N -0.273 108.544 108.800 0.028 0.000 2.513 101 G HA2 -0.261 3.701 3.960 0.004 0.000 0.219 101 G HA3 -0.261 3.701 3.960 0.004 0.000 0.219 101 G C 1.632 176.558 174.900 0.043 0.000 1.160 101 G CA 0.998 46.119 45.100 0.035 0.000 0.767 101 G HN 0.436 nan 8.290 nan 0.000 0.571 102 G N -0.430 108.392 108.800 0.037 0.000 2.916 102 G HA2 0.100 4.062 3.960 0.004 0.000 0.205 102 G HA3 0.100 4.062 3.960 0.004 0.000 0.205 102 G C 1.352 176.283 174.900 0.051 0.000 1.163 102 G CA 0.536 45.663 45.100 0.045 0.000 0.821 102 G HN 0.501 nan 8.290 nan 0.000 0.515 103 K N -0.507 119.924 120.400 0.052 0.000 2.450 103 K HA 0.241 4.563 4.320 0.004 0.000 0.206 103 K C 1.861 178.501 176.600 0.065 0.000 1.148 103 K CA -0.530 55.783 56.287 0.044 0.000 1.014 103 K CB 0.083 32.601 32.500 0.030 0.000 0.966 103 K HN 0.190 nan 8.250 nan 0.000 0.566 104 L N 1.586 122.865 121.223 0.094 0.000 2.079 104 L HA -0.192 4.150 4.340 0.004 0.000 0.210 104 L C 1.419 178.411 176.870 0.204 0.000 1.081 104 L CA 2.186 57.111 54.840 0.142 0.000 0.752 104 L CB -0.679 41.452 42.059 0.119 0.000 0.896 104 L HN 0.380 nan 8.230 nan 0.000 0.433 105 H N 0.192 119.270 119.070 0.014 0.000 2.555 105 H HA 0.081 4.638 4.556 0.003 0.000 0.283 105 H C -0.193 175.103 175.328 -0.054 0.000 1.037 105 H CA -0.239 55.774 56.048 -0.059 0.000 1.169 105 H CB 0.101 29.827 29.762 -0.060 0.000 1.375 105 H HN 0.281 nan 8.280 nan 0.000 0.582 106 T N 0.861 115.393 114.554 -0.037 0.000 2.930 106 T HA 0.195 4.548 4.350 0.004 0.000 0.306 106 T C 0.877 175.362 174.700 -0.359 0.000 1.045 106 T CA 0.584 62.548 62.100 -0.227 0.000 1.134 106 T CB 0.750 69.472 68.868 -0.244 0.000 0.961 106 T HN 0.519 nan 8.240 nan 0.000 0.545 107 A N 2.119 124.564 122.820 -0.625 0.000 2.832 107 A HA -0.183 4.139 4.320 0.004 0.000 0.280 107 A C 0.532 178.004 177.584 -0.187 0.000 1.464 107 A CA 1.592 53.321 52.037 -0.513 0.000 0.804 107 A CB -1.684 16.858 19.000 -0.763 0.000 1.020 107 A HN 0.820 nan 8.150 nan 0.000 0.563 108 R N -1.007 119.294 120.500 -0.331 0.000 2.739 108 R HA 0.713 5.055 4.340 0.004 0.000 0.271 108 R C -0.457 175.542 176.300 -0.501 0.000 1.010 108 R CA 0.330 56.206 56.100 -0.374 0.000 0.897 108 R CB 1.632 31.656 30.300 -0.459 0.000 1.236 108 R HN 0.855 nan 8.270 nan 0.000 0.466 109 S N 0.022 115.595 115.700 -0.212 0.000 2.634 109 S HA 0.428 4.901 4.470 0.004 0.000 0.296 109 S C 0.396 174.997 174.600 0.002 0.000 1.104 109 S CA -0.776 57.367 58.200 -0.095 0.000 0.920 109 S CB 1.631 64.774 63.200 -0.095 0.000 1.111 109 S HN 0.647 nan 8.310 nan 0.000 0.493 110 R N 1.963 122.429 120.500 -0.056 0.000 2.115 110 R HA -0.003 4.340 4.340 0.004 0.000 0.230 110 R C 1.520 177.659 176.300 -0.267 0.000 1.111 110 R CA 1.282 57.247 56.100 -0.225 0.000 0.976 110 R CB -1.573 28.586 30.300 -0.235 0.000 0.870 110 R HN 0.632 nan 8.270 nan 0.000 0.445 111 N N 1.777 120.309 118.700 -0.280 0.000 2.011 111 N HA -0.194 4.549 4.740 0.004 0.000 0.199 111 N C 1.261 176.721 175.510 -0.083 0.000 1.047 111 N CA 1.994 54.908 53.050 -0.227 0.000 0.863 111 N CB -0.658 37.733 38.487 -0.159 0.000 1.056 111 N HN 0.413 nan 8.380 nan 0.000 0.427 112 D N 0.177 120.527 120.400 -0.083 0.000 2.269 112 D HA -0.144 4.499 4.640 0.004 0.000 0.208 112 D C 1.750 177.996 176.300 -0.091 0.000 0.963 112 D CA 0.711 54.668 54.000 -0.072 0.000 0.864 112 D CB -0.616 40.137 40.800 -0.078 0.000 0.936 112 D HN 0.480 nan 8.370 nan 0.000 0.505 113 Q N 0.769 120.489 119.800 -0.133 0.000 2.079 113 Q HA -0.106 4.237 4.340 0.004 0.000 0.200 113 Q C 2.007 177.927 176.000 -0.134 0.000 0.974 113 Q CA 1.331 57.027 55.803 -0.179 0.000 0.840 113 Q CB 0.118 28.665 28.738 -0.318 0.000 0.898 113 Q HN 0.163 nan 8.270 nan 0.000 0.430 114 V N 1.174 121.014 119.914 -0.122 0.000 2.270 114 V HA -0.245 3.877 4.120 0.004 0.000 0.245 114 V C 2.453 178.626 176.094 0.132 0.000 1.043 114 V CA 1.818 64.160 62.300 0.070 0.000 1.014 114 V CB -1.271 30.629 31.823 0.130 0.000 0.645 114 V HN 0.544 nan 8.190 nan 0.000 0.447 115 A N -0.058 122.828 122.820 0.111 0.000 1.978 115 A HA -0.245 4.077 4.320 0.004 0.000 0.220 115 A C 2.362 179.986 177.584 0.066 0.000 1.170 115 A CA 2.600 54.717 52.037 0.134 0.000 0.636 115 A CB -0.954 18.102 19.000 0.093 0.000 0.810 115 A HN 0.553 nan 8.150 nan 0.000 0.448 116 T N -0.059 114.510 114.554 0.025 0.000 2.737 116 T HA -0.105 4.248 4.350 0.004 0.000 0.265 116 T C 1.548 176.345 174.700 0.161 0.000 1.038 116 T CA 1.351 63.480 62.100 0.049 0.000 1.144 116 T CB -0.394 68.472 68.868 -0.004 0.000 0.866 116 T HN 0.444 nan 8.240 nan 0.000 0.434 117 D N 1.030 121.522 120.400 0.154 0.000 2.104 117 D HA -0.063 4.580 4.640 0.004 0.000 0.194 117 D C 2.050 178.488 176.300 0.230 0.000 0.994 117 D CA 0.674 54.791 54.000 0.194 0.000 0.830 117 D CB -0.500 40.435 40.800 0.225 0.000 0.959 117 D HN 0.132 nan 8.370 nan 0.000 0.452 118 L N 1.206 122.573 121.223 0.241 0.000 2.046 118 L HA -0.138 4.204 4.340 0.004 0.000 0.208 118 L C 2.185 179.266 176.870 0.351 0.000 1.077 118 L CA 1.676 56.702 54.840 0.310 0.000 0.747 118 L CB -0.312 41.970 42.059 0.371 0.000 0.896 118 L HN -0.084 nan 8.230 nan 0.000 0.432 119 R N -1.286 119.353 120.500 0.231 0.000 2.066 119 R HA -0.141 4.201 4.340 0.004 0.000 0.232 119 R C 2.159 178.554 176.300 0.157 0.000 1.131 119 R CA 1.294 57.463 56.100 0.114 0.000 0.955 119 R CB -0.753 29.502 30.300 -0.075 0.000 0.851 119 R HN 0.246 nan 8.270 nan 0.000 0.432 120 L N 0.157 121.485 121.223 0.174 0.000 2.013 120 L HA -0.233 4.110 4.340 0.004 0.000 0.212 120 L C 2.219 179.165 176.870 0.126 0.000 1.073 120 L CA 1.708 56.592 54.840 0.074 0.000 0.753 120 L CB -0.835 41.288 42.059 0.106 0.000 0.890 120 L HN 0.144 nan 8.230 nan 0.000 0.432 121 Y N -0.923 119.428 120.300 0.086 0.000 2.224 121 Y HA -0.225 4.327 4.550 0.004 0.000 0.289 121 Y C 2.351 178.297 175.900 0.077 0.000 1.146 121 Y CA 1.531 59.675 58.100 0.073 0.000 1.182 121 Y CB -0.070 38.441 38.460 0.084 0.000 0.983 121 Y HN 0.113 nan 8.280 nan 0.000 0.524 122 L N -0.442 120.892 121.223 0.185 0.000 2.072 122 L HA -0.191 4.151 4.340 0.004 0.000 0.205 122 L C 2.696 179.571 176.870 0.010 0.000 1.079 122 L CA 1.394 56.302 54.840 0.114 0.000 0.752 122 L CB -0.518 41.690 42.059 0.249 0.000 0.906 122 L HN 0.148 nan 8.230 nan 0.000 0.436 123 R N 0.124 120.629 120.500 0.009 0.000 2.096 123 R HA -0.174 4.169 4.340 0.004 0.000 0.240 123 R C 2.221 178.481 176.300 -0.066 0.000 1.139 123 R CA 1.690 57.775 56.100 -0.027 0.000 0.952 123 R CB -0.459 29.805 30.300 -0.060 0.000 0.854 123 R HN 0.410 nan 8.270 nan 0.000 0.436 124 G N -0.330 108.403 108.800 -0.113 0.000 2.404 124 G HA2 -0.251 3.711 3.960 0.004 0.000 0.215 124 G HA3 -0.251 3.711 3.960 0.004 0.000 0.215 124 G C 1.503 176.289 174.900 -0.190 0.000 1.174 124 G CA 0.718 45.725 45.100 -0.156 0.000 0.780 124 G HN 0.477 nan 8.290 nan 0.000 0.537 125 A N 0.827 123.478 122.820 -0.282 0.000 1.908 125 A HA -0.031 4.291 4.320 0.004 0.000 0.218 125 A C 2.413 179.947 177.584 -0.083 0.000 1.181 125 A CA 1.463 53.364 52.037 -0.227 0.000 0.627 125 A CB -0.398 18.456 19.000 -0.243 0.000 0.818 125 A HN 0.393 nan 8.150 nan 0.000 0.445 126 I N -0.423 120.121 120.570 -0.044 0.000 2.252 126 I HA -0.211 3.961 4.170 0.004 0.000 0.245 126 I C 1.839 177.947 176.117 -0.015 0.000 1.102 126 I CA 1.407 62.708 61.300 0.002 0.000 1.385 126 I CB -0.468 37.546 38.000 0.024 0.000 1.064 126 I HN 0.273 nan 8.210 nan 0.000 0.414 127 D N 0.552 120.928 120.400 -0.039 0.000 2.144 127 D HA -0.223 4.420 4.640 0.004 0.000 0.199 127 D C 2.025 178.296 176.300 -0.047 0.000 0.984 127 D CA 1.148 55.123 54.000 -0.041 0.000 0.834 127 D CB -0.132 40.637 40.800 -0.052 0.000 0.955 127 D HN 0.436 nan 8.370 nan 0.000 0.465 128 E N 0.052 120.215 120.200 -0.062 0.000 2.152 128 E HA -0.137 4.215 4.350 0.004 0.000 0.192 128 E C 1.980 178.546 176.600 -0.056 0.000 0.983 128 E CA 0.244 56.606 56.400 -0.064 0.000 0.818 128 E CB 0.115 29.768 29.700 -0.079 0.000 0.758 128 E HN 0.062 nan 8.360 nan 0.000 0.467 129 L N 0.867 122.066 121.223 -0.039 0.000 2.109 129 L HA -0.072 4.271 4.340 0.004 0.000 0.207 129 L C 2.271 179.120 176.870 -0.034 0.000 1.086 129 L CA 1.176 55.995 54.840 -0.035 0.000 0.760 129 L CB -0.488 41.600 42.059 0.048 0.000 0.910 129 L HN 0.217 nan 8.230 nan 0.000 0.437 130 L N -1.379 119.835 121.223 -0.015 0.000 2.093 130 L HA -0.170 4.172 4.340 0.004 0.000 0.208 130 L C 2.564 179.415 176.870 -0.031 0.000 1.085 130 L CA 1.021 55.852 54.840 -0.014 0.000 0.755 130 L CB -0.660 41.394 42.059 -0.008 0.000 0.904 130 L HN 0.275 nan 8.230 nan 0.000 0.435 131 A N -0.217 122.580 122.820 -0.039 0.000 1.902 131 A HA -0.185 4.138 4.320 0.004 0.000 0.217 131 A C 2.085 179.637 177.584 -0.052 0.000 1.181 131 A CA 1.314 53.326 52.037 -0.041 0.000 0.623 131 A CB -0.542 18.432 19.000 -0.043 0.000 0.818 131 A HN 0.249 nan 8.150 nan 0.000 0.443 132 L N -0.476 120.704 121.223 -0.072 0.000 2.131 132 L HA -0.056 4.286 4.340 0.004 0.000 0.210 132 L C 2.354 179.161 176.870 -0.105 0.000 1.092 132 L CA 1.243 56.024 54.840 -0.098 0.000 0.759 132 L CB -0.881 41.094 42.059 -0.141 0.000 0.903 132 L HN 0.372 nan 8.230 nan 0.000 0.435 133 L N -1.900 119.267 121.223 -0.092 0.000 2.179 133 L HA -0.160 4.182 4.340 0.004 0.000 0.208 133 L C 2.393 179.232 176.870 -0.052 0.000 1.096 133 L CA 0.536 55.330 54.840 -0.076 0.000 0.779 133 L CB -0.178 41.854 42.059 -0.045 0.000 0.922 133 L HN 0.248 nan 8.230 nan 0.000 0.443 134 L N -0.352 120.847 121.223 -0.040 0.000 2.017 134 L HA -0.218 4.124 4.340 0.004 0.000 0.208 134 L C 2.761 179.624 176.870 -0.013 0.000 1.073 134 L CA 1.520 56.348 54.840 -0.020 0.000 0.745 134 L CB -0.320 41.730 42.059 -0.014 0.000 0.894 134 L HN 0.258 nan 8.230 nan 0.000 0.432 135 A N -0.109 122.695 122.820 -0.027 0.000 1.892 135 A HA -0.261 4.061 4.320 0.004 0.000 0.218 135 A C 2.231 179.798 177.584 -0.029 0.000 1.188 135 A CA 1.805 53.826 52.037 -0.027 0.000 0.631 135 A CB -0.864 18.114 19.000 -0.038 0.000 0.822 135 A HN 0.499 nan 8.150 nan 0.000 0.447 136 L N -1.055 120.142 121.223 -0.043 0.000 2.017 136 L HA -0.179 4.163 4.340 0.004 0.000 0.208 136 L C 2.872 179.736 176.870 -0.009 0.000 1.073 136 L CA 1.444 56.257 54.840 -0.045 0.000 0.745 136 L CB -0.393 41.627 42.059 -0.065 0.000 0.894 136 L HN 0.416 nan 8.230 nan 0.000 0.432 137 R N -0.625 119.883 120.500 0.014 0.000 2.152 137 R HA -0.156 4.186 4.340 0.004 0.000 0.232 137 R C 2.261 178.647 176.300 0.144 0.000 1.117 137 R CA 0.949 57.112 56.100 0.105 0.000 0.981 137 R CB -0.180 30.149 30.300 0.048 0.000 0.870 137 R HN 0.446 nan 8.270 nan 0.000 0.451 138 R N 0.241 120.777 120.500 0.061 0.000 2.057 138 R HA -0.077 4.266 4.340 0.004 0.000 0.229 138 R C 2.514 178.806 176.300 -0.013 0.000 1.136 138 R CA 1.512 57.632 56.100 0.032 0.000 0.952 138 R CB -0.598 29.711 30.300 0.014 0.000 0.848 138 R HN 0.176 nan 8.270 nan 0.000 0.430 139 V N -0.063 119.831 119.914 -0.034 0.000 2.392 139 V HA -0.216 3.906 4.120 0.004 0.000 0.249 139 V C 2.031 178.033 176.094 -0.154 0.000 1.059 139 V CA 1.606 63.859 62.300 -0.078 0.000 1.051 139 V CB -0.731 31.047 31.823 -0.075 0.000 0.658 139 V HN 0.205 nan 8.190 nan 0.000 0.455 140 L N -0.077 121.080 121.223 -0.110 0.000 1.943 140 L HA -0.133 4.210 4.340 0.004 0.000 0.215 140 L C 2.757 179.526 176.870 -0.169 0.000 1.074 140 L CA 2.106 56.851 54.840 -0.157 0.000 0.759 140 L CB -0.848 41.248 42.059 0.061 0.000 0.888 140 L HN 0.252 nan 8.230 nan 0.000 0.433 141 V N -0.090 119.781 119.914 -0.071 0.000 2.317 141 V HA -0.350 3.773 4.120 0.004 0.000 0.251 141 V C 2.655 178.693 176.094 -0.094 0.000 1.065 141 V CA 1.917 64.147 62.300 -0.116 0.000 1.049 141 V CB -0.761 30.975 31.823 -0.145 0.000 0.651 141 V HN 0.420 nan 8.190 nan 0.000 0.450 142 R N -0.556 119.888 120.500 -0.093 0.000 2.075 142 R HA -0.127 4.215 4.340 0.004 0.000 0.232 142 R C 2.354 178.601 176.300 -0.090 0.000 1.126 142 R CA 1.285 57.343 56.100 -0.071 0.000 0.963 142 R CB -0.280 29.986 30.300 -0.056 0.000 0.858 142 R HN 0.502 nan 8.270 nan 0.000 0.435 143 E N 0.582 120.647 120.200 -0.226 0.000 2.150 143 E HA -0.107 4.246 4.350 0.004 0.000 0.193 143 E C 1.962 178.510 176.600 -0.086 0.000 0.985 143 E CA 1.117 57.327 56.400 -0.316 0.000 0.814 143 E CB -0.160 28.922 29.700 -1.030 0.000 0.752 143 E HN 0.313 nan 8.360 nan 0.000 0.466 144 A N 1.281 124.076 122.820 -0.041 0.000 1.908 144 A HA -0.239 4.083 4.320 0.004 0.000 0.218 144 A C 2.147 179.825 177.584 0.157 0.000 1.181 144 A CA 1.792 53.964 52.037 0.226 0.000 0.627 144 A CB -0.467 18.623 19.000 0.151 0.000 0.818 144 A HN 0.253 nan 8.150 nan 0.000 0.445 145 E N -0.427 119.817 120.200 0.073 0.000 2.047 145 E HA -0.208 4.144 4.350 0.004 0.000 0.191 145 E C 2.050 178.695 176.600 0.075 0.000 0.987 145 E CA 1.322 57.759 56.400 0.062 0.000 0.799 145 E CB -0.125 29.589 29.700 0.023 0.000 0.752 145 E HN 0.618 nan 8.360 nan 0.000 0.449 146 K N -0.284 120.156 120.400 0.066 0.000 2.360 146 K HA -0.186 4.136 4.320 0.004 0.000 0.201 146 K C 0.484 177.014 176.600 -0.117 0.000 1.046 146 K CA 1.467 57.751 56.287 -0.004 0.000 0.940 146 K CB -0.042 32.455 32.500 -0.005 0.000 0.748 146 K HN 0.222 nan 8.250 nan 0.000 0.465 147 H N -0.736 118.340 119.070 0.010 0.000 2.581 147 H HA 0.141 4.700 4.556 0.004 0.000 0.275 147 H C 0.656 176.102 175.328 0.195 0.000 1.126 147 H CA -0.294 55.758 56.048 0.006 0.000 1.097 147 H CB 0.934 30.495 29.762 -0.334 0.000 1.626 147 H HN 0.048 nan 8.280 nan 0.000 0.565 148 L N -0.116 121.238 121.223 0.219 0.000 2.537 148 L HA 0.134 4.476 4.340 0.004 0.000 0.224 148 L C 1.442 178.396 176.870 0.141 0.000 1.065 148 L CA 1.505 56.446 54.840 0.169 0.000 0.860 148 L CB -0.658 41.472 42.059 0.119 0.000 1.086 148 L HN 0.458 nan 8.230 nan 0.000 0.482 149 D N 1.966 122.440 120.400 0.122 0.000 1.971 149 D HA -0.087 4.555 4.640 0.004 0.000 0.253 149 D C -1.667 174.690 176.300 0.095 0.000 1.019 149 D CA 0.542 54.594 54.000 0.087 0.000 0.947 149 D CB -2.226 38.611 40.800 0.062 0.000 1.256 149 D HN 0.218 nan 8.370 nan 0.000 0.493 150 P HA 0.302 nan 4.420 nan 0.000 0.268 150 P C -0.384 176.951 177.300 0.057 0.000 1.282 150 P CA -0.434 62.683 63.100 0.029 0.000 0.880 150 P CB 0.167 31.863 31.700 -0.006 0.000 0.971 151 L N 5.703 126.971 121.223 0.075 0.000 2.771 151 L HA -0.095 4.248 4.340 0.004 0.000 0.278 151 L C -0.735 176.218 176.870 0.138 0.000 1.175 151 L CA 0.665 55.591 54.840 0.144 0.000 0.973 151 L CB -1.332 40.824 42.059 0.161 0.000 1.286 151 L HN 0.292 nan 8.230 nan 0.000 0.481 152 Y N 4.138 124.512 120.300 0.122 0.000 2.326 152 Y HA 0.559 5.111 4.550 0.004 0.000 0.337 152 Y C 0.240 176.128 175.900 -0.020 0.000 1.023 152 Y CA -0.331 57.827 58.100 0.097 0.000 1.143 152 Y CB 1.404 39.903 38.460 0.066 0.000 1.183 152 Y HN 0.325 nan 8.280 nan 0.000 0.485 153 V N 5.455 125.401 119.914 0.053 0.000 2.876 153 V HA 0.656 4.778 4.120 0.004 0.000 0.312 153 V C -0.538 175.402 176.094 -0.257 0.000 1.085 153 V CA -0.958 61.224 62.300 -0.197 0.000 0.945 153 V CB 2.183 33.702 31.823 -0.505 0.000 1.017 153 V HN 0.682 nan 8.190 nan 0.000 0.428 154 L N 1.637 122.660 121.223 -0.334 0.000 2.630 154 L HA 0.842 5.184 4.340 0.004 0.000 0.258 154 L C -2.978 173.670 176.870 -0.369 0.000 1.072 154 L CA -2.036 52.546 54.840 -0.429 0.000 0.885 154 L CB 2.696 44.434 42.059 -0.534 0.000 1.502 154 L HN 0.407 nan 8.230 nan 0.000 0.406 155 P HA 0.215 nan 4.420 nan 0.000 0.280 155 P C -0.351 176.724 177.300 -0.376 0.000 1.244 155 P CA 0.159 63.021 63.100 -0.396 0.000 0.784 155 P CB 1.366 32.778 31.700 -0.479 0.000 0.913 156 G N 2.700 111.336 108.800 -0.272 0.000 2.444 156 G HA2 0.412 4.374 3.960 0.004 0.000 0.268 156 G HA3 0.412 4.374 3.960 0.004 0.000 0.268 156 G C -1.119 173.666 174.900 -0.190 0.000 1.203 156 G CA -0.259 44.801 45.100 -0.065 0.000 0.835 156 G HN 0.370 nan 8.290 nan 0.000 0.543 157 Y N -0.418 119.988 120.300 0.176 0.000 2.596 157 Y HA 0.702 5.254 4.550 0.004 0.000 0.326 157 Y C 0.651 176.656 175.900 0.176 0.000 1.167 157 Y CA -0.467 57.748 58.100 0.192 0.000 1.246 157 Y CB 2.835 41.452 38.460 0.261 0.000 1.347 157 Y HN 0.497 nan 8.280 nan 0.000 0.515 158 T N 0.452 115.233 114.554 0.379 0.000 3.933 158 T HA 0.225 4.578 4.350 0.004 0.000 0.357 158 T C -1.340 173.656 174.700 0.493 0.000 1.077 158 T CA -1.171 61.142 62.100 0.355 0.000 1.082 158 T CB 0.224 69.300 68.868 0.347 0.000 1.158 158 T HN 0.782 nan 8.240 nan 0.000 0.472 159 H N 2.002 121.164 119.070 0.153 0.000 2.899 159 H HA -0.143 4.415 4.556 0.004 0.000 0.282 159 H C 1.057 176.486 175.328 0.168 0.000 1.198 159 H CA 0.632 56.758 56.048 0.129 0.000 1.140 159 H CB -1.782 28.043 29.762 0.105 0.000 1.317 159 H HN 0.690 nan 8.280 nan 0.000 0.375 160 L N -2.025 119.398 121.223 0.333 0.000 4.001 160 L HA -0.318 4.024 4.340 0.004 0.000 0.413 160 L C -0.224 176.933 176.870 0.478 0.000 1.185 160 L CA 1.015 56.073 54.840 0.364 0.000 0.963 160 L CB -0.469 41.717 42.059 0.213 0.000 1.976 160 L HN 0.466 nan 8.230 nan 0.000 0.939 161 Q N 0.404 120.462 119.800 0.431 0.000 2.333 161 Q HA 0.418 4.761 4.340 0.004 0.000 0.267 161 Q C -0.001 176.101 176.000 0.170 0.000 1.012 161 Q CA -0.596 55.371 55.803 0.273 0.000 0.824 161 Q CB 1.707 30.535 28.738 0.150 0.000 1.290 161 Q HN 0.267 nan 8.270 nan 0.000 0.449 162 R N 0.733 121.224 120.500 -0.015 0.000 2.585 162 R HA 0.304 4.646 4.340 0.004 0.000 0.275 162 R C 0.147 176.357 176.300 -0.152 0.000 1.018 162 R CA 0.346 56.267 56.100 -0.298 0.000 1.072 162 R CB 0.293 30.432 30.300 -0.268 0.000 0.953 162 R HN 0.684 nan 8.270 nan 0.000 0.419 163 A N 3.119 125.836 122.820 -0.171 0.000 3.708 163 A HA 0.244 4.567 4.320 0.004 0.000 0.178 163 A C -0.588 176.930 177.584 -0.111 0.000 1.050 163 A CA -0.528 51.461 52.037 -0.080 0.000 1.245 163 A CB 0.186 19.180 19.000 -0.010 0.000 1.600 163 A HN 0.646 nan 8.150 nan 0.000 0.697 164 Q N 0.629 120.382 119.800 -0.079 0.000 2.421 164 Q HA 0.368 4.710 4.340 0.004 0.000 0.255 164 Q C -2.380 173.534 176.000 -0.145 0.000 1.013 164 Q CA -1.074 54.670 55.803 -0.099 0.000 0.895 164 Q CB -0.021 28.676 28.738 -0.068 0.000 1.271 164 Q HN 0.328 nan 8.270 nan 0.000 0.460 165 P HA 0.087 nan 4.420 nan 0.000 0.271 165 P C -1.198 175.983 177.300 -0.198 0.000 1.216 165 P CA 0.015 62.972 63.100 -0.238 0.000 0.776 165 P CB 0.797 32.316 31.700 -0.302 0.000 0.881 166 V N 3.147 122.946 119.914 -0.193 0.000 3.078 166 V HA 0.336 4.459 4.120 0.004 0.000 0.311 166 V C -0.326 175.685 176.094 -0.138 0.000 1.138 166 V CA -0.826 61.402 62.300 -0.119 0.000 1.007 166 V CB 2.189 34.015 31.823 0.006 0.000 1.045 166 V HN 0.257 nan 8.190 nan 0.000 0.432 167 L N 1.872 123.051 121.223 -0.073 0.000 2.312 167 L HA 0.396 4.739 4.340 0.004 0.000 0.281 167 L C 1.142 177.990 176.870 -0.036 0.000 1.070 167 L CA 0.373 55.180 54.840 -0.055 0.000 0.805 167 L CB 0.991 43.041 42.059 -0.016 0.000 1.174 167 L HN 0.573 nan 8.230 nan 0.000 0.434 168 L N 2.327 123.456 121.223 -0.157 0.000 2.081 168 L HA -0.285 4.057 4.340 0.004 0.000 0.212 168 L C 2.270 179.058 176.870 -0.138 0.000 1.080 168 L CA 1.632 56.238 54.840 -0.391 0.000 0.754 168 L CB -0.054 41.573 42.059 -0.720 0.000 0.893 168 L HN 0.966 nan 8.230 nan 0.000 0.433 169 A N -1.379 121.473 122.820 0.053 0.000 1.908 169 A HA -0.310 4.013 4.320 0.004 0.000 0.218 169 A C 2.199 179.901 177.584 0.198 0.000 1.181 169 A CA 1.831 53.977 52.037 0.181 0.000 0.627 169 A CB -0.976 18.113 19.000 0.148 0.000 0.818 169 A HN 0.595 nan 8.150 nan 0.000 0.445 170 H N -3.061 116.041 119.070 0.054 0.000 2.389 170 H HA -0.185 4.373 4.556 0.004 0.000 0.299 170 H C 1.998 177.380 175.328 0.090 0.000 1.081 170 H CA 1.634 57.708 56.048 0.044 0.000 1.345 170 H CB -0.129 29.640 29.762 0.012 0.000 1.393 170 H HN 0.742 nan 8.280 nan 0.000 0.520 171 W N 0.869 122.125 121.300 -0.073 0.000 2.355 171 W HA -0.175 4.488 4.660 0.004 0.000 0.309 171 W C 1.859 178.367 176.519 -0.018 0.000 1.206 171 W CA 1.678 58.953 57.345 -0.118 0.000 1.284 171 W CB -0.865 28.462 29.460 -0.222 0.000 1.145 171 W HN 0.074 nan 8.180 nan 0.000 0.502 172 F N 0.082 120.140 119.950 0.179 0.000 2.134 172 F HA -0.207 4.323 4.527 0.004 0.000 0.299 172 F C 2.172 177.951 175.800 -0.035 0.000 1.097 172 F CA 0.988 59.002 58.000 0.023 0.000 1.264 172 F CB -0.688 38.361 39.000 0.081 0.000 1.001 172 F HN -0.253 nan 8.300 nan 0.000 0.479 173 L N -0.445 120.860 121.223 0.137 0.000 2.549 173 L HA -0.130 4.212 4.340 0.004 0.000 0.229 173 L C 2.382 179.215 176.870 -0.063 0.000 1.158 173 L CA 0.386 55.245 54.840 0.031 0.000 0.842 173 L CB -0.759 41.268 42.059 -0.052 0.000 0.952 173 L HN 0.148 nan 8.230 nan 0.000 0.452 174 A N -0.644 122.054 122.820 -0.205 0.000 1.874 174 A HA -0.161 4.162 4.320 0.004 0.000 0.214 174 A C 1.858 179.192 177.584 -0.418 0.000 1.189 174 A CA 0.932 52.739 52.037 -0.383 0.000 0.615 174 A CB -0.583 18.095 19.000 -0.536 0.000 0.830 174 A HN 0.319 nan 8.150 nan 0.000 0.443 175 Y N -1.882 118.248 120.300 -0.284 0.000 2.497 175 Y HA -0.146 4.406 4.550 0.004 0.000 0.292 175 Y C 2.129 177.941 175.900 -0.146 0.000 1.137 175 Y CA 1.205 59.150 58.100 -0.257 0.000 1.285 175 Y CB -0.519 37.770 38.460 -0.284 0.000 0.991 175 Y HN 0.564 nan 8.280 nan 0.000 0.556 176 Y N 0.992 121.254 120.300 -0.063 0.000 2.163 176 Y HA -0.189 4.363 4.550 0.004 0.000 0.288 176 Y C 2.156 178.002 175.900 -0.091 0.000 1.136 176 Y CA 1.599 59.666 58.100 -0.054 0.000 1.147 176 Y CB -0.063 38.371 38.460 -0.042 0.000 0.987 176 Y HN -0.037 nan 8.280 nan 0.000 0.509 177 E N 0.197 120.351 120.200 -0.077 0.000 2.051 177 E HA -0.216 4.136 4.350 0.004 0.000 0.192 177 E C 2.291 178.745 176.600 -0.244 0.000 0.991 177 E CA 1.670 57.974 56.400 -0.161 0.000 0.799 177 E CB -0.496 29.142 29.700 -0.105 0.000 0.748 177 E HN 0.599 nan 8.360 nan 0.000 0.449 178 M N 0.055 119.463 119.600 -0.320 0.000 2.065 178 M HA -0.207 4.276 4.480 0.004 0.000 0.259 178 M C 2.267 178.383 176.300 -0.307 0.000 1.071 178 M CA 1.319 56.316 55.300 -0.504 0.000 1.109 178 M CB -0.359 31.723 32.600 -0.864 0.000 1.313 178 M HN 0.053 nan 8.290 nan 0.000 0.408 179 L N 0.161 121.264 121.223 -0.200 0.000 2.275 179 L HA -0.150 4.193 4.340 0.004 0.000 0.215 179 L C 2.329 179.126 176.870 -0.122 0.000 1.119 179 L CA 1.589 56.384 54.840 -0.075 0.000 0.790 179 L CB -0.712 41.314 42.059 -0.055 0.000 0.919 179 L HN 0.248 nan 8.230 nan 0.000 0.443 180 K N -0.535 119.717 120.400 -0.248 0.000 2.062 180 K HA -0.113 4.209 4.320 0.004 0.000 0.205 180 K C 2.269 178.796 176.600 -0.121 0.000 1.051 180 K CA 0.930 57.063 56.287 -0.257 0.000 0.941 180 K CB 0.050 32.304 32.500 -0.409 0.000 0.719 180 K HN 0.176 nan 8.250 nan 0.000 0.440 181 R N 0.636 121.083 120.500 -0.089 0.000 2.096 181 R HA -0.105 4.237 4.340 0.004 0.000 0.235 181 R C 1.785 178.095 176.300 0.016 0.000 1.127 181 R CA 1.501 57.586 56.100 -0.025 0.000 0.968 181 R CB -0.191 30.109 30.300 -0.000 0.000 0.861 181 R HN 0.327 nan 8.270 nan 0.000 0.440 182 D N 0.745 121.177 120.400 0.054 0.000 2.097 182 D HA -0.139 4.503 4.640 0.004 0.000 0.195 182 D C 1.820 178.150 176.300 0.049 0.000 0.989 182 D CA 1.538 55.584 54.000 0.077 0.000 0.827 182 D CB -0.262 40.636 40.800 0.164 0.000 0.966 182 D HN 0.201 nan 8.370 nan 0.000 0.456 183 A N 0.759 123.597 122.820 0.030 0.000 1.978 183 A HA -0.089 4.234 4.320 0.004 0.000 0.220 183 A C 2.327 179.916 177.584 0.008 0.000 1.170 183 A CA 2.134 54.180 52.037 0.016 0.000 0.636 183 A CB -0.927 18.061 19.000 -0.020 0.000 0.810 183 A HN 0.327 nan 8.150 nan 0.000 0.448 184 G N -1.412 107.387 108.800 -0.001 0.000 2.511 184 G HA2 -0.083 3.879 3.960 0.004 0.000 0.217 184 G HA3 -0.083 3.879 3.960 0.004 0.000 0.217 184 G C 1.727 176.631 174.900 0.008 0.000 1.133 184 G CA 0.600 45.700 45.100 0.000 0.000 0.792 184 G HN 0.522 nan 8.290 nan 0.000 0.539 185 R N -0.489 120.016 120.500 0.008 0.000 2.075 185 R HA 0.210 4.552 4.340 0.004 0.000 0.226 185 R C 2.472 178.782 176.300 0.016 0.000 1.114 185 R CA 0.444 56.547 56.100 0.005 0.000 0.972 185 R CB -0.283 30.009 30.300 -0.013 0.000 0.869 185 R HN 0.300 nan 8.270 nan 0.000 0.437 186 L N 0.297 121.535 121.223 0.025 0.000 2.141 186 L HA -0.156 4.187 4.340 0.004 0.000 0.209 186 L C 2.309 179.201 176.870 0.037 0.000 1.094 186 L CA 1.008 55.871 54.840 0.040 0.000 0.763 186 L CB -0.225 41.872 42.059 0.062 0.000 0.908 186 L HN 0.163 nan 8.230 nan 0.000 0.437 187 E N 0.505 120.721 120.200 0.027 0.000 2.016 187 E HA -0.207 4.145 4.350 0.004 0.000 0.190 187 E C 1.758 178.373 176.600 0.025 0.000 0.985 187 E CA 1.430 57.842 56.400 0.021 0.000 0.802 187 E CB -0.005 29.703 29.700 0.013 0.000 0.762 187 E HN 0.274 nan 8.360 nan 0.000 0.448 188 D N -0.071 120.344 120.400 0.024 0.000 2.178 188 D HA -0.136 4.507 4.640 0.004 0.000 0.201 188 D C 1.641 177.966 176.300 0.041 0.000 0.980 188 D CA 1.293 55.310 54.000 0.028 0.000 0.842 188 D CB -0.290 40.524 40.800 0.023 0.000 0.948 188 D HN 0.307 nan 8.370 nan 0.000 0.472 189 A N 1.143 123.992 122.820 0.048 0.000 1.854 189 A HA -0.183 4.139 4.320 0.004 0.000 0.214 189 A C 2.084 179.715 177.584 0.080 0.000 1.192 189 A CA 1.715 53.796 52.037 0.072 0.000 0.611 189 A CB -0.466 18.579 19.000 0.075 0.000 0.832 189 A HN 0.177 nan 8.150 nan 0.000 0.442 190 K N 0.632 121.070 120.400 0.063 0.000 2.001 190 K HA -0.289 4.034 4.320 0.004 0.000 0.214 190 K C 2.042 178.667 176.600 0.042 0.000 1.050 190 K CA 2.186 58.504 56.287 0.053 0.000 0.934 190 K CB -0.422 32.097 32.500 0.032 0.000 0.718 190 K HN 0.724 nan 8.250 nan 0.000 0.443 191 E N 0.410 120.631 120.200 0.034 0.000 2.070 191 E HA -0.286 4.066 4.350 0.004 0.000 0.197 191 E C 2.287 178.910 176.600 0.037 0.000 1.004 191 E CA 1.347 57.765 56.400 0.030 0.000 0.805 191 E CB -0.405 29.310 29.700 0.026 0.000 0.744 191 E HN 0.326 nan 8.360 nan 0.000 0.451 192 R N 0.940 121.467 120.500 0.045 0.000 2.148 192 R HA -0.092 4.251 4.340 0.004 0.000 0.227 192 R C 2.209 178.535 176.300 0.043 0.000 1.103 192 R CA 1.238 57.366 56.100 0.047 0.000 0.983 192 R CB -0.220 30.115 30.300 0.059 0.000 0.874 192 R HN 0.405 nan 8.270 nan 0.000 0.451 193 L N -1.579 119.673 121.223 0.048 0.000 2.592 193 L HA 0.282 4.625 4.340 0.004 0.000 0.227 193 L C 0.656 177.520 176.870 -0.010 0.000 1.127 193 L CA 0.760 55.590 54.840 -0.016 0.000 0.884 193 L CB -0.344 41.734 42.059 0.031 0.000 1.065 193 L HN -0.121 nan 8.230 nan 0.000 0.457 194 N N 1.117 119.850 118.700 0.055 0.000 2.509 194 N HA 0.045 4.787 4.740 0.004 0.000 0.239 194 N C -0.280 175.393 175.510 0.272 0.000 1.215 194 N CA 0.111 53.249 53.050 0.146 0.000 0.882 194 N CB -0.104 38.422 38.487 0.065 0.000 1.189 194 N HN 0.581 nan 8.380 nan 0.000 0.490 195 E N -1.010 119.259 120.200 0.114 0.000 2.227 195 E HA 0.262 4.615 4.350 0.004 0.000 0.268 195 E C -0.888 175.420 176.600 -0.487 0.000 0.990 195 E CA -0.691 55.664 56.400 -0.074 0.000 0.856 195 E CB 1.377 31.001 29.700 -0.126 0.000 1.159 195 E HN 0.009 nan 8.360 nan 0.000 0.401 196 S N 1.753 116.993 115.700 -0.767 0.000 2.433 196 S HA 0.276 4.748 4.470 0.004 0.000 0.310 196 S C -1.906 172.326 174.600 -0.613 0.000 1.097 196 S CA -1.742 55.713 58.200 -1.241 0.000 1.103 196 S CB 0.880 63.312 63.200 -1.280 0.000 0.992 196 S HN 0.348 nan 8.310 nan 0.000 0.469 197 P HA 0.085 nan 4.420 nan 0.000 0.245 197 P C 0.451 177.619 177.300 -0.219 0.000 1.203 197 P CA -0.161 62.778 63.100 -0.269 0.000 0.792 197 P CB 0.020 31.606 31.700 -0.190 0.000 0.997 198 L N 1.338 122.401 121.223 -0.267 0.000 2.584 198 L HA 0.271 4.614 4.340 0.004 0.000 0.272 198 L C 1.265 178.067 176.870 -0.115 0.000 1.195 198 L CA 1.816 56.561 54.840 -0.159 0.000 0.920 198 L CB -0.929 41.050 42.059 -0.134 0.000 1.173 198 L HN 0.373 nan 8.230 nan 0.000 0.489 199 G N 2.880 111.642 108.800 -0.063 0.000 2.205 199 G HA2 -0.163 3.800 3.960 0.004 0.000 0.180 199 G HA3 -0.163 3.800 3.960 0.004 0.000 0.180 199 G C 0.681 175.562 174.900 -0.033 0.000 1.004 199 G CA 0.116 45.196 45.100 -0.033 0.000 0.670 199 G HN 1.157 nan 8.290 nan 0.000 0.496 200 A N -0.032 122.758 122.820 -0.049 0.000 2.218 200 A HA 0.832 5.155 4.320 0.004 0.000 0.209 200 A C 2.004 179.576 177.584 -0.019 0.000 1.168 200 A CA 1.892 53.909 52.037 -0.034 0.000 0.804 200 A CB -0.436 18.538 19.000 -0.043 0.000 0.834 200 A HN 2.594 nan 8.150 nan 0.000 0.482 201 A N -1.105 121.699 122.820 -0.027 0.000 5.813 201 A HA -0.088 4.234 4.320 0.004 0.000 0.291 201 A C 1.975 179.541 177.584 -0.030 0.000 1.970 201 A CA 1.617 53.637 52.037 -0.028 0.000 0.717 201 A CB -1.866 17.138 19.000 0.005 0.000 1.222 201 A HN 1.888 nan 8.150 nan 0.000 0.377 202 A N -2.408 120.399 122.820 -0.021 0.000 1.908 202 A HA 0.203 4.526 4.320 0.004 0.000 0.218 202 A C 1.610 179.205 177.584 0.019 0.000 1.181 202 A CA 4.081 56.111 52.037 -0.012 0.000 0.627 202 A CB -0.581 18.418 19.000 -0.003 0.000 0.818 202 A HN 2.372 nan 8.150 nan 0.000 0.445 203 L N -6.538 114.696 121.223 0.018 0.000 3.760 203 L HA 0.514 4.856 4.340 0.004 0.000 0.405 203 L C 0.377 177.257 176.870 0.015 0.000 0.943 203 L CA -0.003 54.853 54.840 0.027 0.000 1.739 203 L CB -0.890 41.193 42.059 0.040 0.000 2.459 203 L HN 0.374 nan 8.230 nan 0.000 0.586 204 A N 0.900 123.727 122.820 0.011 0.000 2.355 204 A HA 0.870 5.193 4.320 0.004 0.000 0.324 204 A C 0.892 178.481 177.584 0.008 0.000 1.117 204 A CA -0.008 52.033 52.037 0.007 0.000 0.785 204 A CB 0.805 19.808 19.000 0.006 0.000 1.254 204 A HN 0.454 nan 8.150 nan 0.000 0.453 205 G N 0.699 109.504 108.800 0.008 0.000 2.090 205 G HA2 0.374 4.337 3.960 0.004 0.000 0.525 205 G HA3 0.374 4.337 3.960 0.004 0.000 0.525 205 G C 0.380 175.300 174.900 0.032 0.000 1.411 205 G CA 1.231 46.341 45.100 0.017 0.000 1.069 205 G HN 1.533 nan 8.290 nan 0.000 0.522 206 T N -4.610 109.974 114.554 0.050 0.000 2.841 206 T HA 0.553 4.905 4.350 0.004 0.000 0.296 206 T C 0.909 175.623 174.700 0.023 0.000 1.166 206 T CA 0.181 62.319 62.100 0.064 0.000 1.007 206 T CB 1.525 70.526 68.868 0.221 0.000 1.253 206 T HN 0.820 nan 8.240 nan 0.000 0.511 207 G N -0.658 108.103 108.800 -0.065 0.000 2.683 207 G HA2 0.224 4.186 3.960 0.004 0.000 0.213 207 G HA3 0.224 4.186 3.960 0.004 0.000 0.213 207 G C 0.187 175.038 174.900 -0.082 0.000 1.142 207 G CA -0.458 44.578 45.100 -0.105 0.000 0.793 207 G HN 0.615 nan 8.290 nan 0.000 0.534 208 F N 1.746 121.683 119.950 -0.022 0.000 2.629 208 F HA 0.132 4.660 4.527 0.002 0.000 0.377 208 F C -0.810 174.974 175.800 -0.028 0.000 1.101 208 F CA -1.474 56.511 58.000 -0.026 0.000 1.301 208 F CB 0.869 39.854 39.000 -0.025 0.000 1.062 208 F HN 0.010 nan 8.300 nan 0.000 0.583 209 P HA 0.027 nan 4.420 nan 0.000 0.249 209 P C -0.057 177.268 177.300 0.043 0.000 1.686 209 P CA 0.199 63.346 63.100 0.078 0.000 0.873 209 P CB -0.390 31.337 31.700 0.044 0.000 1.828 210 I N 1.455 122.064 120.570 0.065 0.000 2.892 210 I HA 0.021 4.193 4.170 0.004 0.000 0.287 210 I C 0.806 176.931 176.117 0.013 0.000 1.205 210 I CA 0.608 61.916 61.300 0.013 0.000 1.409 210 I CB 0.157 38.182 38.000 0.041 0.000 1.367 210 I HN -0.032 nan 8.210 nan 0.000 0.597 211 D N 5.476 125.874 120.400 -0.003 0.000 2.440 211 D HA 0.285 4.927 4.640 0.004 0.000 0.252 211 D C 0.666 177.028 176.300 0.103 0.000 1.180 211 D CA -0.406 53.628 54.000 0.057 0.000 0.894 211 D CB 0.694 41.507 40.800 0.022 0.000 1.111 211 D HN 0.429 nan 8.370 nan 0.000 0.544 212 R N 1.651 122.195 120.500 0.074 0.000 2.119 212 R HA -0.021 4.321 4.340 0.004 0.000 0.222 212 R C 1.148 177.417 176.300 -0.052 0.000 1.088 212 R CA 0.764 56.852 56.100 -0.020 0.000 0.984 212 R CB 0.015 30.238 30.300 -0.129 0.000 0.884 212 R HN 0.492 nan 8.270 nan 0.000 0.447 213 H N -0.173 118.938 119.070 0.067 0.000 2.389 213 H HA -0.105 4.453 4.556 0.004 0.000 0.299 213 H C 1.605 176.991 175.328 0.097 0.000 1.081 213 H CA 1.738 57.823 56.048 0.062 0.000 1.345 213 H CB -0.167 29.628 29.762 0.055 0.000 1.393 213 H HN 0.150 nan 8.280 nan 0.000 0.520 214 F N 1.346 121.357 119.950 0.102 0.000 2.075 214 F HA -0.268 4.262 4.527 0.005 0.000 0.297 214 F C 2.691 178.509 175.800 0.031 0.000 1.113 214 F CA 1.887 59.921 58.000 0.057 0.000 1.218 214 F CB -0.642 38.379 39.000 0.035 0.000 0.984 214 F HN 0.213 nan 8.300 nan 0.000 0.472 215 T N -0.889 113.837 114.554 0.286 0.000 2.803 215 T HA -0.159 4.193 4.350 0.004 0.000 0.269 215 T C 2.029 176.735 174.700 0.009 0.000 1.052 215 T CA 1.195 63.374 62.100 0.132 0.000 1.136 215 T CB -1.080 67.871 68.868 0.139 0.000 0.864 215 T HN 0.364 nan 8.240 nan 0.000 0.467 216 A N 1.950 124.774 122.820 0.006 0.000 1.841 216 A HA 0.017 4.340 4.320 0.004 0.000 0.214 216 A C 2.600 180.226 177.584 0.070 0.000 1.195 216 A CA 1.496 53.568 52.037 0.059 0.000 0.611 216 A CB -0.795 18.183 19.000 -0.037 0.000 0.835 216 A HN 0.526 nan 8.150 nan 0.000 0.443 217 R N -0.538 119.948 120.500 -0.023 0.000 2.113 217 R HA -0.151 4.191 4.340 0.004 0.000 0.231 217 R C 2.082 178.307 176.300 -0.125 0.000 1.129 217 R CA 1.620 57.680 56.100 -0.067 0.000 0.915 217 R CB -0.432 29.809 30.300 -0.098 0.000 0.837 217 R HN 0.476 nan 8.270 nan 0.000 0.430 218 E N 0.482 120.529 120.200 -0.254 0.000 2.339 218 E HA -0.200 4.153 4.350 0.004 0.000 0.201 218 E C 1.616 178.106 176.600 -0.182 0.000 1.015 218 E CA 1.053 57.319 56.400 -0.223 0.000 0.841 218 E CB -0.007 29.458 29.700 -0.390 0.000 0.754 218 E HN 0.414 nan 8.360 nan 0.000 0.508 219 L N -1.054 119.988 121.223 -0.301 0.000 2.640 219 L HA 0.176 4.518 4.340 0.004 0.000 0.230 219 L C 1.296 177.739 176.870 -0.712 0.000 1.123 219 L CA 0.359 54.750 54.840 -0.747 0.000 0.900 219 L CB 0.400 42.121 42.059 -0.562 0.000 1.146 219 L HN 0.204 nan 8.230 nan 0.000 0.484 220 G N -0.338 108.279 108.800 -0.305 0.000 2.175 220 G HA2 -0.288 3.674 3.960 0.004 0.000 0.244 220 G HA3 -0.288 3.674 3.960 0.004 0.000 0.244 220 G C 0.140 174.859 174.900 -0.301 0.000 0.982 220 G CA -0.456 44.495 45.100 -0.247 0.000 0.641 220 G HN 0.132 nan 8.290 nan 0.000 0.527 221 F N 1.704 121.586 119.950 -0.113 0.000 2.429 221 F HA 0.389 4.919 4.527 0.003 0.000 0.348 221 F C 2.004 177.764 175.800 -0.066 0.000 1.109 221 F CA 0.091 58.032 58.000 -0.097 0.000 1.232 221 F CB 0.940 39.863 39.000 -0.129 0.000 1.157 221 F HN 0.177 nan 8.300 nan 0.000 0.564 222 K N 1.604 122.090 120.400 0.143 0.000 2.147 222 K HA 0.308 4.631 4.320 0.004 0.000 0.205 222 K C 0.312 176.955 176.600 0.073 0.000 1.049 222 K CA 1.171 57.504 56.287 0.077 0.000 0.936 222 K CB 0.059 32.592 32.500 0.056 0.000 0.722 222 K HN 0.619 nan 8.250 nan 0.000 0.446 223 A N 0.968 123.829 122.820 0.068 0.000 2.567 223 A HA 0.400 4.723 4.320 0.004 0.000 0.291 223 A C -3.048 174.477 177.584 -0.099 0.000 1.048 223 A CA -1.408 50.634 52.037 0.008 0.000 0.661 223 A CB 1.164 20.178 19.000 0.023 0.000 1.288 223 A HN 0.033 nan 8.150 nan 0.000 0.424 224 P HA 0.405 nan 4.420 nan 0.000 0.282 224 P C -0.218 176.945 177.300 -0.228 0.000 1.249 224 P CA -0.145 62.775 63.100 -0.300 0.000 0.806 224 P CB 0.596 32.053 31.700 -0.405 0.000 0.984 225 M N 2.474 121.936 119.600 -0.229 0.000 2.252 225 M HA 0.013 4.496 4.480 0.004 0.000 0.329 225 M C 1.693 177.927 176.300 -0.110 0.000 1.101 225 M CA 0.843 56.051 55.300 -0.153 0.000 1.117 225 M CB 0.306 32.813 32.600 -0.156 0.000 1.563 225 M HN 0.279 nan 8.290 nan 0.000 0.445 226 R N 1.058 121.518 120.500 -0.066 0.000 2.317 226 R HA 0.136 4.478 4.340 0.004 0.000 0.208 226 R C 0.084 176.368 176.300 -0.027 0.000 0.914 226 R CA 0.139 56.216 56.100 -0.038 0.000 1.060 226 R CB -0.004 30.287 30.300 -0.015 0.000 1.015 226 R HN 0.566 nan 8.270 nan 0.000 0.498 227 N N 0.465 119.146 118.700 -0.033 0.000 2.558 227 N HA -0.018 4.724 4.740 0.004 0.000 0.285 227 N C 0.514 176.010 175.510 -0.022 0.000 1.112 227 N CA 0.052 53.091 53.050 -0.019 0.000 0.857 227 N CB 1.606 40.088 38.487 -0.009 0.000 1.376 227 N HN -0.026 nan 8.380 nan 0.000 0.526 228 S N 3.559 119.247 115.700 -0.020 0.000 2.392 228 S HA -0.185 4.288 4.470 0.004 0.000 0.232 228 S C 1.906 176.505 174.600 -0.002 0.000 1.041 228 S CA 0.839 59.029 58.200 -0.017 0.000 1.026 228 S CB -0.317 62.877 63.200 -0.010 0.000 0.845 228 S HN 0.590 nan 8.310 nan 0.000 0.465 229 L N 1.469 122.695 121.223 0.005 0.000 1.994 229 L HA -0.115 4.228 4.340 0.004 0.000 0.208 229 L C 2.827 179.710 176.870 0.022 0.000 1.071 229 L CA 2.064 56.915 54.840 0.017 0.000 0.745 229 L CB -0.684 41.384 42.059 0.014 0.000 0.892 229 L HN 0.381 nan 8.230 nan 0.000 0.431 230 D N -0.336 120.073 120.400 0.014 0.000 2.178 230 D HA -0.151 4.491 4.640 0.004 0.000 0.202 230 D C 2.106 178.421 176.300 0.024 0.000 0.974 230 D CA 1.100 55.113 54.000 0.022 0.000 0.841 230 D CB 0.172 40.981 40.800 0.015 0.000 0.953 230 D HN 0.261 nan 8.370 nan 0.000 0.478 231 A N -0.194 122.626 122.820 -0.001 0.000 1.917 231 A HA -0.154 4.169 4.320 0.004 0.000 0.219 231 A C 2.429 180.022 177.584 0.014 0.000 1.182 231 A CA 1.777 53.800 52.037 -0.024 0.000 0.633 231 A CB -0.757 18.209 19.000 -0.057 0.000 0.819 231 A HN 0.246 nan 8.150 nan 0.000 0.448 232 V N -1.286 118.653 119.914 0.041 0.000 2.725 232 V HA 0.032 4.154 4.120 0.004 0.000 0.247 232 V C 2.708 178.885 176.094 0.138 0.000 1.058 232 V CA 1.494 63.849 62.300 0.092 0.000 1.080 232 V CB -0.240 31.637 31.823 0.091 0.000 0.713 232 V HN 0.598 nan 8.190 nan 0.000 0.465 233 A N 0.101 122.978 122.820 0.095 0.000 2.095 233 A HA 0.122 4.444 4.320 0.004 0.000 0.212 233 A C 1.509 179.138 177.584 0.075 0.000 1.162 233 A CA 0.711 52.791 52.037 0.072 0.000 0.753 233 A CB -0.197 18.826 19.000 0.038 0.000 0.840 233 A HN 0.568 nan 8.150 nan 0.000 0.468 234 S N -0.496 115.271 115.700 0.112 0.000 2.564 234 S HA 0.481 4.953 4.470 0.004 0.000 0.278 234 S C 0.482 175.227 174.600 0.242 0.000 1.333 234 S CA -0.359 57.932 58.200 0.152 0.000 1.048 234 S CB 0.987 64.293 63.200 0.175 0.000 0.900 234 S HN 0.303 nan 8.310 nan 0.000 0.505 235 R N 0.808 121.360 120.500 0.086 0.000 2.504 235 R HA 0.085 4.427 4.340 0.004 0.000 0.341 235 R C 0.754 176.858 176.300 -0.326 0.000 0.905 235 R CA 0.431 56.395 56.100 -0.227 0.000 1.133 235 R CB -0.572 29.597 30.300 -0.218 0.000 1.704 235 R HN 0.890 nan 8.270 nan 0.000 0.503 236 D N 0.911 121.281 120.400 -0.051 0.000 2.228 236 D HA -0.216 4.426 4.640 0.004 0.000 0.203 236 D C 1.561 177.855 176.300 -0.009 0.000 0.988 236 D CA 1.113 55.095 54.000 -0.030 0.000 0.864 236 D CB -0.510 40.318 40.800 0.047 0.000 0.928 236 D HN 0.328 nan 8.370 nan 0.000 0.469 237 F N 0.755 120.720 119.950 0.026 0.000 2.234 237 F HA 0.266 4.795 4.527 0.004 0.000 0.299 237 F C 2.493 178.323 175.800 0.051 0.000 1.087 237 F CA 0.571 58.597 58.000 0.043 0.000 1.340 237 F CB -0.976 38.056 39.000 0.052 0.000 1.031 237 F HN 0.072 nan 8.300 nan 0.000 0.500 238 A N 1.198 123.461 122.820 -0.928 0.000 1.898 238 A HA -0.047 4.275 4.320 0.004 0.000 0.216 238 A C 2.099 179.557 177.584 -0.210 0.000 1.181 238 A CA 1.605 53.305 52.037 -0.563 0.000 0.620 238 A CB -1.100 17.497 19.000 -0.671 0.000 0.819 238 A HN 0.397 nan 8.150 nan 0.000 0.442 239 L N -0.080 121.021 121.223 -0.205 0.000 2.046 239 L HA -0.128 4.214 4.340 0.004 0.000 0.208 239 L C 2.377 179.331 176.870 0.140 0.000 1.077 239 L CA 2.068 56.857 54.840 -0.085 0.000 0.747 239 L CB -0.901 41.051 42.059 -0.178 0.000 0.896 239 L HN 0.555 nan 8.230 nan 0.000 0.432 240 E N -0.747 119.508 120.200 0.092 0.000 2.077 240 E HA -0.180 4.173 4.350 0.004 0.000 0.193 240 E C 2.189 178.846 176.600 0.095 0.000 0.989 240 E CA 1.379 57.849 56.400 0.118 0.000 0.800 240 E CB 0.145 29.912 29.700 0.110 0.000 0.746 240 E HN 0.290 nan 8.360 nan 0.000 0.452 241 V N 1.289 121.256 119.914 0.088 0.000 2.358 241 V HA -0.256 3.866 4.120 0.004 0.000 0.246 241 V C 2.438 178.556 176.094 0.041 0.000 1.047 241 V CA 1.322 63.665 62.300 0.070 0.000 1.035 241 V CB -0.402 31.480 31.823 0.099 0.000 0.658 241 V HN 0.315 nan 8.190 nan 0.000 0.452 242 L N -0.092 121.182 121.223 0.084 0.000 2.131 242 L HA -0.174 4.168 4.340 0.004 0.000 0.210 242 L C 2.665 179.559 176.870 0.040 0.000 1.092 242 L CA 1.759 56.666 54.840 0.112 0.000 0.759 242 L CB -0.526 41.672 42.059 0.231 0.000 0.903 242 L HN 0.389 nan 8.230 nan 0.000 0.435 243 S N -0.515 115.196 115.700 0.018 0.000 2.371 243 S HA -0.095 4.378 4.470 0.004 0.000 0.224 243 S C 2.170 176.620 174.600 -0.249 0.000 1.029 243 S CA 0.991 59.004 58.200 -0.312 0.000 0.978 243 S CB -0.026 63.009 63.200 -0.275 0.000 0.833 243 S HN 0.416 nan 8.310 nan 0.000 0.466 244 A N 1.956 124.688 122.820 -0.146 0.000 1.865 244 A HA -0.034 4.288 4.320 0.004 0.000 0.217 244 A C 2.190 179.598 177.584 -0.293 0.000 1.191 244 A CA 1.719 53.658 52.037 -0.162 0.000 0.623 244 A CB -1.068 17.886 19.000 -0.076 0.000 0.826 244 A HN 0.581 nan 8.150 nan 0.000 0.444 245 L N -0.179 120.867 121.223 -0.296 0.000 2.079 245 L HA -0.239 4.104 4.340 0.004 0.000 0.210 245 L C 2.597 179.178 176.870 -0.481 0.000 1.081 245 L CA 1.679 56.217 54.840 -0.504 0.000 0.752 245 L CB -0.737 41.169 42.059 -0.255 0.000 0.896 245 L HN 0.664 nan 8.230 nan 0.000 0.433 246 N N 0.975 119.476 118.700 -0.332 0.000 2.039 246 N HA -0.197 4.546 4.740 0.004 0.000 0.193 246 N C 2.049 177.362 175.510 -0.329 0.000 1.044 246 N CA 1.348 54.216 53.050 -0.303 0.000 0.847 246 N CB -0.009 38.269 38.487 -0.348 0.000 1.030 246 N HN 0.223 nan 8.380 nan 0.000 0.422 247 I N 0.993 121.348 120.570 -0.359 0.000 2.208 247 I HA -0.203 3.970 4.170 0.004 0.000 0.245 247 I C 2.598 178.445 176.117 -0.449 0.000 1.097 247 I CA 1.333 62.393 61.300 -0.400 0.000 1.363 247 I CB -0.808 36.976 38.000 -0.361 0.000 1.051 247 I HN 0.310 nan 8.210 nan 0.000 0.413 248 G N 0.921 109.481 108.800 -0.400 0.000 2.459 248 G HA2 -0.252 3.710 3.960 0.004 0.000 0.217 248 G HA3 -0.252 3.710 3.960 0.004 0.000 0.217 248 G C 1.624 176.489 174.900 -0.058 0.000 1.183 248 G CA 0.564 45.511 45.100 -0.254 0.000 0.776 248 G HN 0.136 nan 8.290 nan 0.000 0.552 249 M N 0.218 119.709 119.600 -0.181 0.000 2.279 249 M HA 0.112 4.595 4.480 0.004 0.000 0.264 249 M C 2.593 178.886 176.300 -0.011 0.000 1.062 249 M CA 0.761 56.066 55.300 0.008 0.000 1.099 249 M CB -0.881 31.698 32.600 -0.034 0.000 1.394 249 M HN 0.209 nan 8.290 nan 0.000 0.426 250 L N -1.606 119.555 121.223 -0.104 0.000 2.093 250 L HA -0.228 4.115 4.340 0.004 0.000 0.208 250 L C 2.299 179.182 176.870 0.022 0.000 1.085 250 L CA 1.175 55.961 54.840 -0.089 0.000 0.755 250 L CB -0.698 41.248 42.059 -0.188 0.000 0.904 250 L HN 0.398 nan 8.230 nan 0.000 0.435 251 H N -0.539 118.546 119.070 0.025 0.000 2.357 251 H HA -0.092 4.466 4.556 0.004 0.000 0.301 251 H C 2.312 177.716 175.328 0.127 0.000 1.082 251 H CA 0.851 56.952 56.048 0.089 0.000 1.342 251 H CB 0.207 30.020 29.762 0.084 0.000 1.389 251 H HN 0.231 nan 8.280 nan 0.000 0.511 252 L N 0.347 121.693 121.223 0.205 0.000 2.217 252 L HA -0.124 4.219 4.340 0.004 0.000 0.211 252 L C 2.640 179.535 176.870 0.042 0.000 1.107 252 L CA 1.034 55.929 54.840 0.092 0.000 0.783 252 L CB -0.361 41.757 42.059 0.098 0.000 0.919 252 L HN 0.352 nan 8.230 nan 0.000 0.442 253 S N -0.462 115.269 115.700 0.053 0.000 2.428 253 S HA -0.099 4.373 4.470 0.004 0.000 0.230 253 S C 2.114 176.733 174.600 0.032 0.000 1.014 253 S CA 0.248 58.460 58.200 0.020 0.000 0.957 253 S CB -0.163 63.040 63.200 0.005 0.000 0.784 253 S HN 0.322 nan 8.310 nan 0.000 0.499 254 R N 0.615 121.173 120.500 0.097 0.000 2.073 254 R HA 0.054 4.397 4.340 0.004 0.000 0.234 254 R C 2.459 178.838 176.300 0.131 0.000 1.134 254 R CA 1.590 57.779 56.100 0.148 0.000 0.952 254 R CB -0.767 29.698 30.300 0.276 0.000 0.850 254 R HN 0.535 nan 8.270 nan 0.000 0.433 255 M N 0.264 119.879 119.600 0.025 0.000 2.175 255 M HA -0.099 4.384 4.480 0.004 0.000 0.264 255 M C 2.166 178.410 176.300 -0.094 0.000 1.063 255 M CA 1.698 56.856 55.300 -0.236 0.000 1.119 255 M CB -0.121 32.037 32.600 -0.737 0.000 1.377 255 M HN 0.155 nan 8.290 nan 0.000 0.415 256 A N 0.134 122.906 122.820 -0.080 0.000 1.902 256 A HA -0.240 4.083 4.320 0.004 0.000 0.217 256 A C 1.803 179.329 177.584 -0.097 0.000 1.181 256 A CA 2.152 54.143 52.037 -0.076 0.000 0.623 256 A CB -0.864 18.099 19.000 -0.062 0.000 0.818 256 A HN 0.626 nan 8.150 nan 0.000 0.443 257 E N 0.463 120.611 120.200 -0.086 0.000 2.049 257 E HA -0.227 4.126 4.350 0.004 0.000 0.198 257 E C 1.869 178.324 176.600 -0.241 0.000 1.007 257 E CA 2.136 58.458 56.400 -0.129 0.000 0.809 257 E CB -0.339 29.311 29.700 -0.083 0.000 0.749 257 E HN 0.719 nan 8.360 nan 0.000 0.450 258 E N -0.179 119.884 120.200 -0.228 0.000 2.072 258 E HA -0.122 4.230 4.350 0.004 0.000 0.191 258 E C 2.296 178.474 176.600 -0.703 0.000 0.985 258 E CA 1.022 57.095 56.400 -0.545 0.000 0.801 258 E CB -0.141 29.439 29.700 -0.200 0.000 0.750 258 E HN 0.327 nan 8.360 nan 0.000 0.452 259 L N 0.763 121.834 121.223 -0.254 0.000 2.093 259 L HA -0.154 4.188 4.340 0.004 0.000 0.208 259 L C 2.418 179.150 176.870 -0.231 0.000 1.085 259 L CA 0.801 55.543 54.840 -0.164 0.000 0.755 259 L CB -0.304 41.739 42.059 -0.026 0.000 0.904 259 L HN 0.178 nan 8.230 nan 0.000 0.435 260 I N -0.783 119.646 120.570 -0.236 0.000 2.286 260 I HA -0.298 3.874 4.170 0.004 0.000 0.248 260 I C 2.356 178.291 176.117 -0.303 0.000 1.115 260 I CA 0.973 62.144 61.300 -0.215 0.000 1.392 260 I CB -0.085 37.810 38.000 -0.174 0.000 1.065 260 I HN 0.201 nan 8.210 nan 0.000 0.418 261 L N -0.081 120.856 121.223 -0.477 0.000 1.993 261 L HA -0.190 4.152 4.340 0.004 0.000 0.206 261 L C 2.293 178.731 176.870 -0.721 0.000 1.074 261 L CA 1.873 56.289 54.840 -0.706 0.000 0.746 261 L CB -1.126 40.341 42.059 -0.987 0.000 0.896 261 L HN 0.137 nan 8.230 nan 0.000 0.435 262 Y N -1.335 118.585 120.300 -0.634 0.000 2.639 262 Y HA -0.148 4.404 4.550 0.004 0.000 0.289 262 Y C 2.701 178.435 175.900 -0.277 0.000 1.155 262 Y CA 0.922 58.775 58.100 -0.411 0.000 1.379 262 Y CB -1.406 36.997 38.460 -0.095 0.000 0.967 262 Y HN 0.208 nan 8.280 nan 0.000 0.569 263 S N -0.563 115.047 115.700 -0.149 0.000 2.575 263 S HA 0.025 4.497 4.470 0.004 0.000 0.215 263 S C 0.848 175.391 174.600 -0.095 0.000 0.966 263 S CA 0.080 58.212 58.200 -0.114 0.000 0.911 263 S CB -0.568 62.557 63.200 -0.125 0.000 0.780 263 S HN 0.499 nan 8.310 nan 0.000 0.514 264 T N -0.658 113.824 114.554 -0.120 0.000 2.874 264 T HA 0.376 4.728 4.350 0.004 0.000 0.281 264 T C 0.983 175.681 174.700 -0.004 0.000 0.994 264 T CA -0.646 61.415 62.100 -0.065 0.000 1.015 264 T CB 0.806 69.628 68.868 -0.077 0.000 1.028 264 T HN 0.079 nan 8.240 nan 0.000 0.523 265 E N 0.904 121.110 120.200 0.010 0.000 2.077 265 E HA -0.168 4.185 4.350 0.004 0.000 0.193 265 E C 1.961 178.586 176.600 0.041 0.000 0.989 265 E CA 1.392 57.807 56.400 0.025 0.000 0.800 265 E CB -0.162 29.550 29.700 0.020 0.000 0.746 265 E HN 0.732 nan 8.360 nan 0.000 0.452 266 E N 0.115 120.357 120.200 0.069 0.000 2.070 266 E HA -0.175 4.177 4.350 0.004 0.000 0.197 266 E C 1.784 178.403 176.600 0.033 0.000 1.004 266 E CA 1.248 57.701 56.400 0.088 0.000 0.805 266 E CB -0.307 29.495 29.700 0.170 0.000 0.744 266 E HN 0.217 nan 8.360 nan 0.000 0.451 267 F N -1.194 118.580 119.950 -0.292 0.000 2.164 267 F HA 0.249 4.778 4.527 0.004 0.000 0.287 267 F C 1.978 177.441 175.800 -0.562 0.000 1.086 267 F CA 1.105 58.660 58.000 -0.743 0.000 1.249 267 F CB -0.646 37.732 39.000 -1.037 0.000 1.059 267 F HN 0.166 nan 8.300 nan 0.000 0.490 268 G N -0.337 108.425 108.800 -0.065 0.000 2.179 268 G HA2 -0.301 3.662 3.960 0.004 0.000 0.257 268 G HA3 -0.301 3.662 3.960 0.004 0.000 0.257 268 G C 0.749 175.833 174.900 0.307 0.000 1.010 268 G CA 0.464 45.623 45.100 0.098 0.000 0.736 268 G HN 0.218 nan 8.290 nan 0.000 0.513 269 F N -0.871 119.168 119.950 0.148 0.000 2.367 269 F HA 0.469 4.998 4.527 0.004 0.000 0.298 269 F C 1.471 177.276 175.800 0.009 0.000 1.094 269 F CA 0.111 58.177 58.000 0.108 0.000 1.409 269 F CB -0.041 38.992 39.000 0.054 0.000 1.064 269 F HN 0.286 nan 8.300 nan 0.000 0.528 270 V N -0.528 119.405 119.914 0.031 0.000 3.048 270 V HA 0.323 4.445 4.120 0.004 0.000 0.303 270 V C -1.180 174.801 176.094 -0.188 0.000 1.214 270 V CA -0.826 61.304 62.300 -0.284 0.000 0.984 270 V CB 2.482 33.720 31.823 -0.975 0.000 1.054 270 V HN -0.053 nan 8.190 nan 0.000 0.430 271 E N 3.223 123.324 120.200 -0.166 0.000 2.134 271 E HA 0.480 4.832 4.350 0.004 0.000 0.278 271 E C -1.049 175.499 176.600 -0.087 0.000 0.959 271 E CA -0.360 55.991 56.400 -0.082 0.000 0.783 271 E CB 1.991 31.679 29.700 -0.021 0.000 1.095 271 E HN 0.577 nan 8.360 nan 0.000 0.399 272 V N 5.804 125.686 119.914 -0.053 0.000 2.649 272 V HA 0.159 4.281 4.120 0.004 0.000 0.292 272 V C -2.117 174.005 176.094 0.047 0.000 1.055 272 V CA -1.672 60.627 62.300 -0.001 0.000 1.023 272 V CB 0.914 32.745 31.823 0.013 0.000 0.992 272 V HN 0.610 nan 8.190 nan 0.000 0.480 273 P HA 0.065 nan 4.420 nan 0.000 0.265 273 P C 0.281 177.574 177.300 -0.011 0.000 1.193 273 P CA 0.015 63.162 63.100 0.078 0.000 0.765 273 P CB 0.426 32.236 31.700 0.184 0.000 0.823 274 D N 3.069 123.429 120.400 -0.065 0.000 2.172 274 D HA -0.223 4.419 4.640 0.004 0.000 0.196 274 D C 1.869 178.057 176.300 -0.187 0.000 0.999 274 D CA 1.842 55.787 54.000 -0.092 0.000 0.856 274 D CB -0.594 40.158 40.800 -0.080 0.000 0.934 274 D HN 0.396 nan 8.370 nan 0.000 0.453 275 A N 0.422 123.016 122.820 -0.377 0.000 1.986 275 A HA -0.172 4.150 4.320 0.004 0.000 0.220 275 A C 1.258 178.436 177.584 -0.677 0.000 1.171 275 A CA 1.068 52.718 52.037 -0.645 0.000 0.640 275 A CB -0.659 17.706 19.000 -1.058 0.000 0.811 275 A HN 0.219 nan 8.150 nan 0.000 0.451 276 F N -1.262 118.681 119.950 -0.011 0.000 2.850 276 F HA 0.676 5.205 4.527 0.004 0.000 0.306 276 F C 0.633 176.421 175.800 -0.020 0.000 1.162 276 F CA -0.093 57.898 58.000 -0.015 0.000 1.327 276 F CB -0.175 38.815 39.000 -0.015 0.000 0.953 276 F HN 0.285 nan 8.300 nan 0.000 0.507 277 A N -0.139 122.712 122.820 0.052 0.000 2.588 277 A HA 0.843 5.166 4.320 0.004 0.000 0.290 277 A C -0.514 177.069 177.584 -0.001 0.000 1.136 277 A CA -0.479 51.577 52.037 0.032 0.000 0.681 277 A CB 1.115 20.131 19.000 0.027 0.000 1.282 277 A HN 0.091 nan 8.150 nan 0.000 0.421 278 T N -1.782 112.771 114.554 -0.001 0.000 2.893 278 T HA 0.763 5.115 4.350 0.004 0.000 0.293 278 T C 0.267 174.962 174.700 -0.009 0.000 1.027 278 T CA 0.206 62.301 62.100 -0.008 0.000 0.988 278 T CB 1.540 70.406 68.868 -0.005 0.000 1.043 278 T HN 1.760 nan 8.240 nan 0.000 0.461 279 G N 1.021 109.814 108.800 -0.011 0.000 3.194 279 G HA2 0.754 4.717 3.960 0.004 0.000 0.160 279 G HA3 0.754 4.717 3.960 0.004 0.000 0.160 279 G C -0.594 174.301 174.900 -0.008 0.000 1.267 279 G CA -0.437 44.657 45.100 -0.010 0.000 0.962 279 G HN 1.733 nan 8.290 nan 0.000 0.612 280 S N -1.266 114.430 115.700 -0.007 0.000 2.605 280 S HA 0.427 4.900 4.470 0.004 0.000 0.279 280 S C 0.527 175.124 174.600 -0.005 0.000 1.166 280 S CA 0.319 58.516 58.200 -0.006 0.000 0.975 280 S CB 1.305 64.502 63.200 -0.005 0.000 1.111 280 S HN 1.195 nan 8.310 nan 0.000 0.465 281 S N 2.748 118.445 115.700 -0.005 0.000 2.380 281 S HA -0.153 4.320 4.470 0.004 0.000 0.217 281 S C 2.455 177.053 174.600 -0.003 0.000 1.036 281 S CA 1.286 59.484 58.200 -0.004 0.000 1.050 281 S CB -1.658 61.539 63.200 -0.004 0.000 1.016 281 S HN 1.819 nan 8.310 nan 0.000 0.419 282 I N 1.600 122.168 120.570 -0.002 0.000 2.908 282 I HA 0.428 4.600 4.170 0.004 0.000 0.271 282 I C 1.621 177.737 176.117 -0.001 0.000 1.275 282 I CA 1.778 63.077 61.300 -0.002 0.000 1.446 282 I CB -2.460 35.539 38.000 -0.001 0.000 1.092 282 I HN 0.787 nan 8.210 nan 0.000 0.482 283 M N -1.007 118.592 119.600 -0.001 0.000 2.364 283 M HA 0.814 5.297 4.480 0.004 0.000 0.334 283 M C -0.789 175.511 176.300 -0.000 0.000 1.107 283 M CA -1.185 54.115 55.300 -0.001 0.000 0.988 283 M CB -0.262 32.337 32.600 -0.002 0.000 1.673 283 M HN 0.266 nan 8.290 nan 0.000 0.441 284 P HA 0.047 nan 4.420 nan 0.000 0.200 284 P C 0.482 177.784 177.300 0.003 0.000 1.198 284 P CA 0.933 64.034 63.100 0.002 0.000 0.892 284 P CB 0.237 31.940 31.700 0.004 0.000 0.724 285 Q N 0.471 120.274 119.800 0.005 0.000 3.181 285 Q HA 0.401 4.743 4.340 0.004 0.000 0.293 285 Q C -0.010 175.991 176.000 0.002 0.000 1.406 285 Q CA 0.220 56.026 55.803 0.005 0.000 1.026 285 Q CB -0.509 28.235 28.738 0.010 0.000 1.630 285 Q HN 0.512 nan 8.270 nan 0.000 0.553 286 K N 0.886 121.285 120.400 -0.001 0.000 2.378 286 K HA 0.685 5.007 4.320 0.004 0.000 0.252 286 K C -0.882 175.713 176.600 -0.007 0.000 0.931 286 K CA -0.773 55.511 56.287 -0.005 0.000 0.794 286 K CB 2.240 34.737 32.500 -0.005 0.000 1.181 286 K HN 0.205 nan 8.250 nan 0.000 0.425 287 K N 2.417 122.810 120.400 -0.011 0.000 2.616 287 K HA 0.263 4.585 4.320 0.004 0.000 0.255 287 K C -1.462 175.129 176.600 -0.015 0.000 0.995 287 K CA -0.651 55.629 56.287 -0.011 0.000 0.860 287 K CB 1.082 33.576 32.500 -0.011 0.000 1.264 287 K HN 0.800 nan 8.250 nan 0.000 0.451 288 N N 4.852 123.545 118.700 -0.011 0.000 2.426 288 N HA 0.243 4.985 4.740 0.004 0.000 0.275 288 N C -2.408 173.099 175.510 -0.005 0.000 1.019 288 N CA -1.521 51.521 53.050 -0.013 0.000 0.941 288 N CB 1.520 40.000 38.487 -0.012 0.000 1.123 288 N HN 0.343 nan 8.380 nan 0.000 0.486 289 P HA 0.200 nan 4.420 nan 0.000 0.214 289 P C -0.476 176.823 177.300 -0.001 0.000 1.826 289 P CA -0.198 62.899 63.100 -0.004 0.000 0.977 289 P CB 0.072 31.753 31.700 -0.032 0.000 1.930 290 D N 0.578 120.986 120.400 0.013 0.000 2.116 290 D HA -0.196 4.447 4.640 0.004 0.000 0.193 290 D C 1.685 177.993 176.300 0.014 0.000 0.998 290 D CA 1.379 55.385 54.000 0.011 0.000 0.836 290 D CB -0.400 40.411 40.800 0.019 0.000 0.951 290 D HN 0.174 nan 8.370 nan 0.000 0.449 291 I N 0.225 120.817 120.570 0.037 0.000 2.226 291 I HA -0.185 3.987 4.170 0.004 0.000 0.245 291 I C 2.113 178.218 176.117 -0.020 0.000 1.100 291 I CA 1.019 62.332 61.300 0.023 0.000 1.374 291 I CB -0.327 37.711 38.000 0.063 0.000 1.057 291 I HN 0.091 nan 8.210 nan 0.000 0.413 292 L N -0.425 120.781 121.223 -0.028 0.000 2.093 292 L HA -0.198 4.145 4.340 0.004 0.000 0.208 292 L C 2.404 179.247 176.870 -0.045 0.000 1.085 292 L CA 1.226 56.035 54.840 -0.051 0.000 0.755 292 L CB -0.605 41.419 42.059 -0.059 0.000 0.904 292 L HN 0.297 nan 8.230 nan 0.000 0.435 293 E N 0.266 120.445 120.200 -0.035 0.000 2.051 293 E HA -0.212 4.140 4.350 0.004 0.000 0.192 293 E C 2.332 178.917 176.600 -0.025 0.000 0.991 293 E CA 1.079 57.459 56.400 -0.034 0.000 0.799 293 E CB -0.148 29.535 29.700 -0.028 0.000 0.748 293 E HN 0.439 nan 8.360 nan 0.000 0.449 294 L N 0.859 122.072 121.223 -0.017 0.000 2.131 294 L HA -0.178 4.165 4.340 0.004 0.000 0.210 294 L C 2.417 179.280 176.870 -0.012 0.000 1.092 294 L CA 0.781 55.615 54.840 -0.011 0.000 0.759 294 L CB -0.356 41.701 42.059 -0.003 0.000 0.903 294 L HN 0.199 nan 8.230 nan 0.000 0.435 295 I N -0.497 120.061 120.570 -0.019 0.000 2.202 295 I HA -0.283 3.890 4.170 0.004 0.000 0.242 295 I C 2.840 178.950 176.117 -0.012 0.000 1.091 295 I CA 1.091 62.381 61.300 -0.016 0.000 1.368 295 I CB -0.383 37.597 38.000 -0.033 0.000 1.058 295 I HN 0.275 nan 8.210 nan 0.000 0.410 296 R N 1.544 122.031 120.500 -0.023 0.000 2.080 296 R HA -0.210 4.132 4.340 0.004 0.000 0.236 296 R C 2.374 178.662 176.300 -0.019 0.000 1.137 296 R CA 1.973 58.059 56.100 -0.023 0.000 0.943 296 R CB -0.316 29.963 30.300 -0.036 0.000 0.846 296 R HN 0.336 nan 8.270 nan 0.000 0.431 297 A N 1.132 123.941 122.820 -0.019 0.000 1.933 297 A HA -0.137 4.185 4.320 0.004 0.000 0.218 297 A C 1.921 179.497 177.584 -0.012 0.000 1.175 297 A CA 1.543 53.570 52.037 -0.017 0.000 0.628 297 A CB -0.315 18.676 19.000 -0.015 0.000 0.814 297 A HN 0.377 nan 8.150 nan 0.000 0.444 298 K N 0.012 120.408 120.400 -0.007 0.000 2.519 298 K HA 0.051 4.373 4.320 0.004 0.000 0.196 298 K C 1.880 178.477 176.600 -0.005 0.000 1.041 298 K CA 0.530 56.816 56.287 -0.002 0.000 0.954 298 K CB -0.246 32.259 32.500 0.008 0.000 0.774 298 K HN 0.481 nan 8.250 nan 0.000 0.480 299 A N 1.045 123.857 122.820 -0.012 0.000 2.019 299 A HA -0.090 4.233 4.320 0.004 0.000 0.219 299 A C 2.284 179.847 177.584 -0.034 0.000 1.164 299 A CA 1.770 53.790 52.037 -0.028 0.000 0.644 299 A CB -0.772 18.207 19.000 -0.034 0.000 0.805 299 A HN 0.425 nan 8.150 nan 0.000 0.449 300 G N 0.635 109.420 108.800 -0.024 0.000 2.404 300 G HA2 -0.233 3.729 3.960 0.004 0.000 0.215 300 G HA3 -0.233 3.729 3.960 0.004 0.000 0.215 300 G C 1.688 176.579 174.900 -0.016 0.000 1.174 300 G CA 0.891 45.977 45.100 -0.022 0.000 0.780 300 G HN 0.731 nan 8.290 nan 0.000 0.537 301 R N 0.185 120.677 120.500 -0.013 0.000 2.152 301 R HA 0.028 4.370 4.340 0.004 0.000 0.232 301 R C 2.023 178.317 176.300 -0.009 0.000 1.117 301 R CA 1.406 57.499 56.100 -0.011 0.000 0.981 301 R CB -0.678 29.617 30.300 -0.009 0.000 0.870 301 R HN 0.260 nan 8.270 nan 0.000 0.451 302 V N 1.499 121.404 119.914 -0.014 0.000 2.591 302 V HA -0.114 4.009 4.120 0.004 0.000 0.249 302 V C 2.364 178.452 176.094 -0.010 0.000 1.053 302 V CA 1.067 63.356 62.300 -0.019 0.000 1.068 302 V CB -0.334 31.460 31.823 -0.049 0.000 0.689 302 V HN 0.311 nan 8.190 nan 0.000 0.462 303 L N 0.439 121.650 121.223 -0.020 0.000 2.109 303 L HA -0.018 4.325 4.340 0.004 0.000 0.207 303 L C 2.442 179.341 176.870 0.049 0.000 1.086 303 L CA 1.691 56.529 54.840 -0.002 0.000 0.760 303 L CB -0.796 41.246 42.059 -0.028 0.000 0.910 303 L HN 0.443 nan 8.230 nan 0.000 0.437 304 G N -0.627 108.184 108.800 0.019 0.000 2.442 304 G HA2 -0.317 3.646 3.960 0.004 0.000 0.219 304 G HA3 -0.317 3.646 3.960 0.004 0.000 0.219 304 G C 1.626 176.534 174.900 0.013 0.000 1.141 304 G CA 0.848 45.955 45.100 0.012 0.000 0.763 304 G HN 0.553 nan 8.290 nan 0.000 0.554 305 A N 0.370 123.202 122.820 0.020 0.000 1.873 305 A HA 0.116 4.438 4.320 0.004 0.000 0.215 305 A C 2.166 179.767 177.584 0.027 0.000 1.186 305 A CA 1.485 53.525 52.037 0.005 0.000 0.616 305 A CB -0.582 18.421 19.000 0.006 0.000 0.823 305 A HN 0.368 nan 8.150 nan 0.000 0.442 306 F N 0.914 120.820 119.950 -0.074 0.000 2.126 306 F HA -0.194 4.335 4.527 0.004 0.000 0.299 306 F C 2.250 178.009 175.800 -0.068 0.000 1.096 306 F CA 2.077 60.032 58.000 -0.075 0.000 1.255 306 F CB -0.235 38.720 39.000 -0.075 0.000 0.997 306 F HN 0.039 nan 8.300 nan 0.000 0.479 307 V N 0.225 120.184 119.914 0.075 0.000 2.295 307 V HA -0.232 3.890 4.120 0.004 0.000 0.246 307 V C 2.770 178.804 176.094 -0.100 0.000 1.049 307 V CA 1.872 64.164 62.300 -0.014 0.000 1.024 307 V CB -1.746 30.100 31.823 0.038 0.000 0.648 307 V HN 0.529 nan 8.190 nan 0.000 0.447 308 G N -0.499 108.252 108.800 -0.081 0.000 2.459 308 G HA2 -0.246 3.717 3.960 0.004 0.000 0.217 308 G HA3 -0.246 3.717 3.960 0.004 0.000 0.217 308 G C 1.632 176.447 174.900 -0.141 0.000 1.183 308 G CA 0.982 46.023 45.100 -0.098 0.000 0.776 308 G HN 0.425 nan 8.290 nan 0.000 0.552 309 L N 0.626 121.739 121.223 -0.184 0.000 2.201 309 L HA -0.032 4.310 4.340 0.004 0.000 0.212 309 L C 2.989 179.705 176.870 -0.256 0.000 1.105 309 L CA 1.104 55.815 54.840 -0.215 0.000 0.775 309 L CB -0.150 41.769 42.059 -0.233 0.000 0.913 309 L HN 0.228 nan 8.230 nan 0.000 0.440 310 S N -0.149 115.350 115.700 -0.336 0.000 2.371 310 S HA -0.091 4.381 4.470 0.004 0.000 0.224 310 S C 2.074 176.560 174.600 -0.191 0.000 1.029 310 S CA 1.038 59.043 58.200 -0.324 0.000 0.978 310 S CB -0.109 62.836 63.200 -0.424 0.000 0.833 310 S HN 0.566 nan 8.310 nan 0.000 0.466 311 A N 1.184 123.911 122.820 -0.155 0.000 1.972 311 A HA -0.028 4.295 4.320 0.004 0.000 0.219 311 A C 2.271 179.796 177.584 -0.098 0.000 1.169 311 A CA 1.275 53.250 52.037 -0.103 0.000 0.635 311 A CB -0.778 18.174 19.000 -0.081 0.000 0.810 311 A HN 0.339 nan 8.150 nan 0.000 0.446 312 V N 0.273 120.118 119.914 -0.116 0.000 2.237 312 V HA -0.230 3.893 4.120 0.004 0.000 0.245 312 V C 2.527 178.559 176.094 -0.103 0.000 1.046 312 V CA 2.061 64.297 62.300 -0.106 0.000 1.007 312 V CB -1.021 30.730 31.823 -0.120 0.000 0.638 312 V HN 0.615 nan 8.190 nan 0.000 0.445 313 V N -1.288 118.554 119.914 -0.120 0.000 3.510 313 V HA 0.084 4.207 4.120 0.004 0.000 0.270 313 V C 1.042 177.085 176.094 -0.086 0.000 1.201 313 V CA 0.517 62.753 62.300 -0.105 0.000 1.166 313 V CB -1.064 30.688 31.823 -0.118 0.000 0.825 313 V HN 0.481 nan 8.190 nan 0.000 0.484 314 K N 1.498 121.848 120.400 -0.082 0.000 2.322 314 K HA 0.408 4.730 4.320 0.004 0.000 0.283 314 K C 1.176 177.747 176.600 -0.050 0.000 1.042 314 K CA 0.553 56.803 56.287 -0.063 0.000 0.958 314 K CB 0.542 33.006 32.500 -0.059 0.000 0.984 314 K HN 0.652 nan 8.250 nan 0.000 0.473 315 G N 3.397 112.173 108.800 -0.040 0.000 2.296 315 G HA2 -0.269 3.694 3.960 0.004 0.000 0.282 315 G HA3 -0.269 3.694 3.960 0.004 0.000 0.282 315 G C -0.227 174.652 174.900 -0.035 0.000 1.014 315 G CA 0.479 45.560 45.100 -0.032 0.000 0.812 315 G HN 0.526 nan 8.290 nan 0.000 0.508 316 L N 2.376 123.573 121.223 -0.043 0.000 2.283 316 L HA 0.498 4.840 4.340 0.004 0.000 0.287 316 L C -0.525 176.322 176.870 -0.040 0.000 1.073 316 L CA -2.394 52.417 54.840 -0.049 0.000 0.822 316 L CB 0.193 42.212 42.059 -0.067 0.000 1.186 316 L HN 0.110 nan 8.230 nan 0.000 0.436 317 P HA -0.065 nan 4.420 nan 0.000 0.271 317 P C -0.508 176.778 177.300 -0.023 0.000 1.228 317 P CA -0.468 62.618 63.100 -0.022 0.000 0.797 317 P CB 0.570 32.260 31.700 -0.017 0.000 0.914 318 L N 0.281 121.498 121.223 -0.011 0.000 2.418 318 L HA 0.504 4.846 4.340 0.004 0.000 0.265 318 L C 0.541 177.415 176.870 0.007 0.000 1.143 318 L CA 0.966 55.804 54.840 -0.003 0.000 0.809 318 L CB -0.159 41.903 42.059 0.004 0.000 1.124 318 L HN 0.957 nan 8.230 nan 0.000 0.456 319 A N 1.737 124.569 122.820 0.019 0.000 6.374 319 A HA -0.215 4.107 4.320 0.004 0.000 0.225 319 A C -0.685 176.930 177.584 0.051 0.000 2.414 319 A CA 0.255 52.323 52.037 0.052 0.000 0.680 319 A CB -1.839 17.198 19.000 0.062 0.000 0.910 319 A HN 0.957 nan 8.150 nan 0.000 0.349 320 Y N 1.621 121.930 120.300 0.015 0.000 2.578 320 Y HA 0.464 5.017 4.550 0.005 0.000 0.339 320 Y C 0.723 176.635 175.900 0.019 0.000 1.231 320 Y CA 1.582 59.694 58.100 0.020 0.000 1.461 320 Y CB 0.382 38.855 38.460 0.022 0.000 1.323 320 Y HN 0.775 nan 8.280 nan 0.000 0.590 321 N N 3.213 121.356 118.700 -0.928 0.000 2.405 321 N HA 0.165 4.908 4.740 0.004 0.000 0.274 321 N C -0.386 174.655 175.510 -0.782 0.000 1.170 321 N CA -0.905 51.826 53.050 -0.532 0.000 0.848 321 N CB 1.719 40.037 38.487 -0.282 0.000 1.629 321 N HN 0.414 nan 8.380 nan 0.000 0.481 322 K N 0.747 120.979 120.400 -0.280 0.000 2.209 322 K HA -0.049 4.274 4.320 0.004 0.000 0.204 322 K C 0.253 176.786 176.600 -0.111 0.000 1.048 322 K CA 1.521 57.756 56.287 -0.086 0.000 0.940 322 K CB -0.078 32.462 32.500 0.067 0.000 0.729 322 K HN 0.534 nan 8.250 nan 0.000 0.451 323 D N 0.033 120.348 120.400 -0.142 0.000 2.172 323 D HA -0.197 4.446 4.640 0.004 0.000 0.196 323 D C 1.327 177.556 176.300 -0.118 0.000 0.999 323 D CA 0.895 54.831 54.000 -0.108 0.000 0.856 323 D CB -0.164 40.570 40.800 -0.110 0.000 0.934 323 D HN 0.071 nan 8.370 nan 0.000 0.453 324 L N 0.465 121.574 121.223 -0.191 0.000 2.351 324 L HA -0.170 4.173 4.340 0.004 0.000 0.220 324 L C 2.127 178.991 176.870 -0.009 0.000 1.127 324 L CA 1.376 56.134 54.840 -0.138 0.000 0.786 324 L CB -0.764 41.146 42.059 -0.247 0.000 0.914 324 L HN 0.127 nan 8.230 nan 0.000 0.443 325 Q N -0.866 118.957 119.800 0.037 0.000 2.369 325 Q HA -0.143 4.200 4.340 0.004 0.000 0.206 325 Q C 1.381 177.427 176.000 0.076 0.000 0.963 325 Q CA 0.602 56.486 55.803 0.135 0.000 0.894 325 Q CB 0.215 29.060 28.738 0.178 0.000 0.965 325 Q HN 0.389 nan 8.270 nan 0.000 0.475 326 E N 1.138 121.322 120.200 -0.027 0.000 2.516 326 E HA -0.130 4.222 4.350 0.004 0.000 0.199 326 E C 0.922 177.448 176.600 -0.124 0.000 1.069 326 E CA 0.742 57.078 56.400 -0.106 0.000 0.876 326 E CB 0.132 29.764 29.700 -0.113 0.000 0.843 326 E HN 0.604 nan 8.360 nan 0.000 0.530 327 D N 0.329 120.685 120.400 -0.073 0.000 2.213 327 D HA -0.129 4.513 4.640 0.004 0.000 0.205 327 D C 1.431 177.688 176.300 -0.072 0.000 0.961 327 D CA 0.679 54.627 54.000 -0.086 0.000 0.853 327 D CB -0.091 40.669 40.800 -0.068 0.000 0.967 327 D HN 0.071 nan 8.370 nan 0.000 0.496 328 K N 0.602 120.986 120.400 -0.026 0.000 2.007 328 K HA -0.042 4.281 4.320 0.004 0.000 0.206 328 K C 2.344 178.868 176.600 -0.127 0.000 1.047 328 K CA 1.054 57.341 56.287 -0.000 0.000 0.937 328 K CB -0.009 32.618 32.500 0.212 0.000 0.718 328 K HN 0.143 nan 8.250 nan 0.000 0.438 329 E N 0.685 120.660 120.200 -0.376 0.000 2.049 329 E HA -0.180 4.173 4.350 0.004 0.000 0.198 329 E C -0.886 175.588 176.600 -0.209 0.000 1.007 329 E CA 1.582 57.728 56.400 -0.424 0.000 0.809 329 E CB -0.907 28.398 29.700 -0.658 0.000 0.749 329 E HN 0.258 nan 8.360 nan 0.000 0.450 330 P HA -0.187 nan 4.420 nan 0.000 0.215 330 P C 1.581 178.852 177.300 -0.049 0.000 1.153 330 P CA 1.326 64.366 63.100 -0.101 0.000 0.853 330 P CB -0.073 31.568 31.700 -0.100 0.000 0.788 331 L N -0.936 120.267 121.223 -0.034 0.000 1.989 331 L HA -0.169 4.174 4.340 0.004 0.000 0.211 331 L C 2.795 179.702 176.870 0.063 0.000 1.071 331 L CA 1.225 56.081 54.840 0.026 0.000 0.749 331 L CB -1.203 40.886 42.059 0.051 0.000 0.890 331 L HN -0.096 nan 8.230 nan 0.000 0.431 332 L N -0.077 121.173 121.223 0.044 0.000 2.043 332 L HA -0.299 4.044 4.340 0.004 0.000 0.212 332 L C 2.238 179.142 176.870 0.057 0.000 1.075 332 L CA 2.242 57.124 54.840 0.071 0.000 0.752 332 L CB -1.312 40.756 42.059 0.015 0.000 0.891 332 L HN 0.422 nan 8.230 nan 0.000 0.432 333 D N -0.762 119.646 120.400 0.014 0.000 2.103 333 D HA -0.104 4.538 4.640 0.004 0.000 0.199 333 D C 2.184 178.504 176.300 0.033 0.000 0.978 333 D CA 1.231 55.238 54.000 0.012 0.000 0.829 333 D CB 0.256 41.044 40.800 -0.020 0.000 0.981 333 D HN 0.219 nan 8.370 nan 0.000 0.464 334 A N 0.255 123.095 122.820 0.032 0.000 1.883 334 A HA -0.129 4.193 4.320 0.004 0.000 0.217 334 A C 2.356 179.992 177.584 0.086 0.000 1.186 334 A CA 1.261 53.324 52.037 0.042 0.000 0.624 334 A CB -0.985 18.031 19.000 0.027 0.000 0.822 334 A HN 0.372 nan 8.150 nan 0.000 0.444 335 L N -0.824 120.462 121.223 0.105 0.000 2.017 335 L HA -0.204 4.139 4.340 0.004 0.000 0.208 335 L C 3.122 180.067 176.870 0.126 0.000 1.073 335 L CA 1.173 56.096 54.840 0.139 0.000 0.745 335 L CB -0.593 41.559 42.059 0.155 0.000 0.894 335 L HN 0.434 nan 8.230 nan 0.000 0.432 336 A N -0.471 122.409 122.820 0.100 0.000 1.902 336 A HA -0.206 4.117 4.320 0.004 0.000 0.217 336 A C 2.365 179.988 177.584 0.065 0.000 1.181 336 A CA 2.365 54.446 52.037 0.074 0.000 0.623 336 A CB -0.936 18.101 19.000 0.063 0.000 0.818 336 A HN 0.416 nan 8.150 nan 0.000 0.443 337 T N -1.592 113.008 114.554 0.077 0.000 2.674 337 T HA -0.174 4.178 4.350 0.004 0.000 0.265 337 T C 1.872 176.645 174.700 0.121 0.000 1.039 337 T CA 1.733 63.879 62.100 0.077 0.000 1.150 337 T CB -0.457 68.452 68.868 0.068 0.000 0.864 337 T HN 0.527 nan 8.240 nan 0.000 0.427 338 Y N 2.253 122.550 120.300 -0.005 0.000 2.242 338 Y HA 0.007 4.560 4.550 0.004 0.000 0.291 338 Y C 2.638 178.531 175.900 -0.012 0.000 1.137 338 Y CA 0.795 58.889 58.100 -0.011 0.000 1.181 338 Y CB -0.316 38.139 38.460 -0.009 0.000 0.989 338 Y HN -0.057 nan 8.280 nan 0.000 0.527 339 R N 0.574 121.075 120.500 0.002 0.000 2.088 339 R HA -0.178 4.164 4.340 0.004 0.000 0.232 339 R C 1.577 177.816 176.300 -0.102 0.000 1.136 339 R CA 2.270 58.319 56.100 -0.085 0.000 0.926 339 R CB -0.752 29.542 30.300 -0.010 0.000 0.837 339 R HN 0.319 nan 8.270 nan 0.000 0.429 340 D N -0.055 120.319 120.400 -0.043 0.000 2.218 340 D HA -0.069 4.573 4.640 0.004 0.000 0.204 340 D C 1.930 178.192 176.300 -0.064 0.000 0.976 340 D CA 0.987 54.964 54.000 -0.040 0.000 0.853 340 D CB -0.087 40.708 40.800 -0.007 0.000 0.939 340 D HN 0.162 nan 8.370 nan 0.000 0.481 341 S N 0.013 115.672 115.700 -0.068 0.000 2.355 341 S HA -0.008 4.465 4.470 0.004 0.000 0.222 341 S C 2.119 176.636 174.600 -0.138 0.000 1.031 341 S CA 0.375 58.529 58.200 -0.076 0.000 0.993 341 S CB -0.085 63.109 63.200 -0.009 0.000 0.859 341 S HN 0.246 nan 8.310 nan 0.000 0.453 342 L N 0.834 121.922 121.223 -0.225 0.000 2.083 342 L HA -0.087 4.255 4.340 0.004 0.000 0.209 342 L C 2.671 179.437 176.870 -0.173 0.000 1.083 342 L CA 1.158 55.848 54.840 -0.249 0.000 0.752 342 L CB -0.357 41.469 42.059 -0.388 0.000 0.899 342 L HN 0.232 nan 8.230 nan 0.000 0.433 343 R N -0.204 120.209 120.500 -0.146 0.000 2.075 343 R HA -0.148 4.195 4.340 0.004 0.000 0.232 343 R C 2.244 178.476 176.300 -0.113 0.000 1.126 343 R CA 1.122 57.160 56.100 -0.104 0.000 0.963 343 R CB -0.015 30.241 30.300 -0.072 0.000 0.858 343 R HN 0.128 nan 8.270 nan 0.000 0.435 344 L N 0.772 121.912 121.223 -0.139 0.000 2.017 344 L HA -0.137 4.206 4.340 0.004 0.000 0.208 344 L C 2.268 178.938 176.870 -0.334 0.000 1.073 344 L CA 1.560 56.260 54.840 -0.233 0.000 0.745 344 L CB -1.175 40.751 42.059 -0.221 0.000 0.894 344 L HN 0.343 nan 8.230 nan 0.000 0.432 345 L N -0.639 120.439 121.223 -0.241 0.000 2.187 345 L HA -0.221 4.122 4.340 0.004 0.000 0.213 345 L C 2.415 179.183 176.870 -0.170 0.000 1.100 345 L CA 1.184 55.896 54.840 -0.212 0.000 0.765 345 L CB -0.396 41.572 42.059 -0.150 0.000 0.904 345 L HN 0.280 nan 8.230 nan 0.000 0.437 346 A N -0.976 121.759 122.820 -0.142 0.000 2.072 346 A HA 0.105 4.428 4.320 0.004 0.000 0.216 346 A C 2.256 179.798 177.584 -0.069 0.000 1.156 346 A CA 1.107 53.088 52.037 -0.093 0.000 0.701 346 A CB -0.249 18.706 19.000 -0.076 0.000 0.816 346 A HN 0.389 nan 8.150 nan 0.000 0.458 347 A N -1.037 121.722 122.820 -0.101 0.000 2.147 347 A HA 0.387 4.710 4.320 0.004 0.000 0.211 347 A C 1.896 179.495 177.584 0.025 0.000 1.160 347 A CA 0.851 52.892 52.037 0.006 0.000 0.781 347 A CB -0.241 18.811 19.000 0.086 0.000 0.842 347 A HN 0.529 nan 8.150 nan 0.000 0.475 348 L N -1.089 119.968 121.223 -0.277 0.000 2.286 348 L HA 0.205 4.548 4.340 0.004 0.000 0.203 348 L C 2.040 178.911 176.870 0.003 0.000 1.068 348 L CA 0.533 55.221 54.840 -0.253 0.000 0.811 348 L CB -0.158 41.426 42.059 -0.792 0.000 0.989 348 L HN 0.286 nan 8.230 nan 0.000 0.467 349 L N 1.196 122.408 121.223 -0.018 0.000 2.013 349 L HA -0.148 4.194 4.340 0.004 0.000 0.212 349 L C -0.362 176.586 176.870 0.130 0.000 1.073 349 L CA 1.669 56.559 54.840 0.082 0.000 0.753 349 L CB -2.030 40.051 42.059 0.037 0.000 0.890 349 L HN 0.339 nan 8.230 nan 0.000 0.432 350 P HA -0.068 nan 4.420 nan 0.000 0.233 350 P C 1.245 178.634 177.300 0.148 0.000 1.167 350 P CA 1.405 64.568 63.100 0.105 0.000 0.770 350 P CB -0.023 31.710 31.700 0.055 0.000 0.837 351 G N -0.279 108.617 108.800 0.160 0.000 2.985 351 G HA2 0.086 4.048 3.960 0.004 0.000 0.209 351 G HA3 0.086 4.048 3.960 0.004 0.000 0.209 351 G C 0.428 175.418 174.900 0.150 0.000 1.165 351 G CA -0.087 45.110 45.100 0.161 0.000 0.776 351 G HN 0.140 nan 8.290 nan 0.000 0.541 352 L N 0.930 122.253 121.223 0.167 0.000 2.453 352 L HA 0.281 4.623 4.340 0.004 0.000 0.272 352 L C 0.184 177.128 176.870 0.123 0.000 1.182 352 L CA 0.312 55.202 54.840 0.084 0.000 0.858 352 L CB 0.967 43.089 42.059 0.104 0.000 1.120 352 L HN -0.009 nan 8.230 nan 0.000 0.474 353 K N 4.299 124.698 120.400 -0.003 0.000 2.404 353 K HA 0.231 4.553 4.320 0.004 0.000 0.257 353 K C -1.479 175.159 176.600 0.063 0.000 1.026 353 K CA -0.355 55.996 56.287 0.106 0.000 0.951 353 K CB 0.595 33.144 32.500 0.081 0.000 1.203 353 K HN 0.378 nan 8.250 nan 0.000 0.446 354 W N 3.150 124.567 121.300 0.195 0.000 2.316 354 W HA 0.228 4.890 4.660 0.004 0.000 0.311 354 W C 0.537 177.224 176.519 0.280 0.000 1.217 354 W CA -0.810 56.654 57.345 0.198 0.000 1.199 354 W CB 0.685 30.212 29.460 0.112 0.000 1.202 354 W HN 0.138 nan 8.180 nan 0.000 0.528 355 R N 4.324 125.077 120.500 0.421 0.000 2.608 355 R HA 0.145 4.487 4.340 0.004 0.000 0.277 355 R C 1.409 177.914 176.300 0.342 0.000 1.341 355 R CA -0.469 55.827 56.100 0.327 0.000 1.199 355 R CB -0.021 30.422 30.300 0.238 0.000 1.156 355 R HN 0.703 nan 8.270 nan 0.000 0.558 356 R N 2.622 123.359 120.500 0.395 0.000 2.168 356 R HA -0.281 4.061 4.340 0.004 0.000 0.242 356 R C 1.961 178.314 176.300 0.089 0.000 1.123 356 R CA 2.568 58.776 56.100 0.180 0.000 0.928 356 R CB 0.013 30.153 30.300 -0.266 0.000 0.873 356 R HN 0.592 nan 8.270 nan 0.000 0.434 357 E N 0.507 120.728 120.200 0.035 0.000 2.049 357 E HA -0.269 4.083 4.350 0.004 0.000 0.198 357 E C 2.138 178.792 176.600 0.091 0.000 1.007 357 E CA 2.396 58.810 56.400 0.024 0.000 0.809 357 E CB -0.947 28.740 29.700 -0.020 0.000 0.749 357 E HN 0.516 nan 8.360 nan 0.000 0.450 358 R N 0.968 121.535 120.500 0.112 0.000 2.159 358 R HA 0.053 4.395 4.340 0.004 0.000 0.237 358 R C 2.530 178.866 176.300 0.059 0.000 1.131 358 R CA 1.992 58.177 56.100 0.142 0.000 0.982 358 R CB -1.235 29.204 30.300 0.231 0.000 0.868 358 R HN 0.464 nan 8.270 nan 0.000 0.453 359 M N -1.708 117.865 119.600 -0.045 0.000 2.193 359 M HA 0.001 4.484 4.480 0.004 0.000 0.265 359 M C 2.450 178.628 176.300 -0.204 0.000 1.071 359 M CA 1.293 56.369 55.300 -0.374 0.000 1.140 359 M CB -0.125 32.319 32.600 -0.259 0.000 1.369 359 M HN 0.587 nan 8.290 nan 0.000 0.423 360 W N 1.959 123.136 121.300 -0.205 0.000 2.358 360 W HA -0.138 4.524 4.660 0.004 0.000 0.303 360 W C 2.082 178.510 176.519 -0.152 0.000 1.208 360 W CA 1.645 58.885 57.345 -0.175 0.000 1.274 360 W CB -0.356 29.014 29.460 -0.150 0.000 1.138 360 W HN 0.182 nan 8.180 nan 0.000 0.515 361 R N -0.038 120.575 120.500 0.188 0.000 2.115 361 R HA -0.108 4.234 4.340 0.004 0.000 0.230 361 R C 2.415 178.703 176.300 -0.019 0.000 1.111 361 R CA 1.467 57.626 56.100 0.097 0.000 0.976 361 R CB -0.667 29.678 30.300 0.075 0.000 0.870 361 R HN 0.094 nan 8.270 nan 0.000 0.445 362 A N 1.117 123.900 122.820 -0.061 0.000 1.897 362 A HA -0.004 4.319 4.320 0.004 0.000 0.215 362 A C 2.329 179.797 177.584 -0.194 0.000 1.181 362 A CA 1.373 53.351 52.037 -0.098 0.000 0.620 362 A CB -0.460 18.486 19.000 -0.089 0.000 0.821 362 A HN 0.355 nan 8.150 nan 0.000 0.443 363 A N -0.051 122.596 122.820 -0.288 0.000 1.855 363 A HA -0.084 4.239 4.320 0.004 0.000 0.215 363 A C 1.433 178.826 177.584 -0.319 0.000 1.191 363 A CA 1.346 53.174 52.037 -0.349 0.000 0.613 363 A CB -0.422 18.304 19.000 -0.457 0.000 0.829 363 A HN 0.575 nan 8.150 nan 0.000 0.442 364 E N 0.404 120.396 120.200 -0.347 0.000 1.861 364 E HA 0.399 4.752 4.350 0.004 0.000 0.263 364 E C 0.848 177.338 176.600 -0.182 0.000 1.137 364 E CA -0.068 56.170 56.400 -0.270 0.000 0.944 364 E CB -0.125 29.412 29.700 -0.272 0.000 1.092 364 E HN 0.410 nan 8.360 nan 0.000 0.420 365 G N 2.666 111.360 108.800 -0.178 0.000 2.679 365 G HA2 0.005 3.967 3.960 0.004 0.000 0.158 365 G HA3 0.005 3.967 3.960 0.004 0.000 0.158 365 G C 0.814 175.569 174.900 -0.242 0.000 1.702 365 G CA 0.251 45.251 45.100 -0.166 0.000 1.041 365 G HN 0.574 nan 8.290 nan 0.000 0.507 366 G N -2.083 106.500 108.800 -0.361 0.000 2.576 366 G HA2 0.219 4.182 3.960 0.004 0.000 0.210 366 G HA3 0.219 4.182 3.960 0.004 0.000 0.210 366 G C 0.744 174.993 174.900 -1.084 0.000 1.143 366 G CA 0.479 45.110 45.100 -0.781 0.000 0.819 366 G HN 0.512 nan 8.290 nan 0.000 0.534 367 Y N -0.116 120.146 120.300 -0.064 0.000 2.825 367 Y HA 0.242 4.794 4.550 0.004 0.000 0.259 367 Y C 2.187 178.040 175.900 -0.079 0.000 1.113 367 Y CA -0.168 57.889 58.100 -0.072 0.000 1.241 367 Y CB -0.056 38.364 38.460 -0.066 0.000 1.331 367 Y HN -0.022 nan 8.280 nan 0.000 0.570 368 T N 0.901 115.443 114.554 -0.019 0.000 2.737 368 T HA -0.183 4.170 4.350 0.004 0.000 0.269 368 T C 1.787 176.456 174.700 -0.052 0.000 1.040 368 T CA 1.454 63.528 62.100 -0.045 0.000 1.142 368 T CB -0.179 68.626 68.868 -0.104 0.000 0.861 368 T HN 0.373 nan 8.240 nan 0.000 0.456 369 L N 0.718 121.902 121.223 -0.066 0.000 2.549 369 L HA 0.050 4.393 4.340 0.004 0.000 0.229 369 L C 2.805 179.654 176.870 -0.035 0.000 1.158 369 L CA 0.220 55.022 54.840 -0.064 0.000 0.842 369 L CB -0.599 41.411 42.059 -0.080 0.000 0.952 369 L HN 0.253 nan 8.230 nan 0.000 0.452 370 A N -0.234 122.578 122.820 -0.014 0.000 2.024 370 A HA -0.214 4.109 4.320 0.004 0.000 0.220 370 A C 2.324 179.893 177.584 -0.025 0.000 1.164 370 A CA 2.191 54.220 52.037 -0.013 0.000 0.643 370 A CB -0.685 18.316 19.000 0.002 0.000 0.806 370 A HN 0.363 nan 8.150 nan 0.000 0.451 371 T N -0.378 114.155 114.554 -0.036 0.000 2.720 371 T HA -0.160 4.192 4.350 0.004 0.000 0.268 371 T C 1.852 176.546 174.700 -0.010 0.000 1.037 371 T CA 1.850 63.921 62.100 -0.048 0.000 1.144 371 T CB -0.210 68.641 68.868 -0.030 0.000 0.864 371 T HN 0.580 nan 8.240 nan 0.000 0.444 372 E N 0.840 121.043 120.200 0.006 0.000 2.051 372 E HA 0.002 4.355 4.350 0.004 0.000 0.192 372 E C 2.125 178.790 176.600 0.108 0.000 0.991 372 E CA 0.790 57.215 56.400 0.042 0.000 0.799 372 E CB -0.507 29.203 29.700 0.016 0.000 0.748 372 E HN 0.417 nan 8.360 nan 0.000 0.449 373 L N -0.243 121.040 121.223 0.100 0.000 2.127 373 L HA -0.226 4.116 4.340 0.004 0.000 0.211 373 L C 2.311 179.353 176.870 0.286 0.000 1.089 373 L CA 1.137 56.111 54.840 0.224 0.000 0.757 373 L CB -0.490 41.646 42.059 0.128 0.000 0.899 373 L HN 0.169 nan 8.230 nan 0.000 0.434 374 A N -0.188 122.712 122.820 0.132 0.000 1.873 374 A HA -0.206 4.116 4.320 0.004 0.000 0.215 374 A C 1.920 179.593 177.584 0.149 0.000 1.186 374 A CA 1.791 53.880 52.037 0.086 0.000 0.616 374 A CB -0.467 18.429 19.000 -0.173 0.000 0.823 374 A HN 0.322 nan 8.150 nan 0.000 0.442 375 D N -1.458 119.025 120.400 0.138 0.000 2.123 375 D HA -0.182 4.460 4.640 0.004 0.000 0.196 375 D C 1.654 178.023 176.300 0.115 0.000 0.992 375 D CA 1.615 55.690 54.000 0.125 0.000 0.833 375 D CB -0.571 40.282 40.800 0.088 0.000 0.954 375 D HN 0.603 nan 8.370 nan 0.000 0.455 376 Y N 1.371 121.688 120.300 0.030 0.000 2.114 376 Y HA -0.250 4.303 4.550 0.004 0.000 0.282 376 Y C 2.207 178.048 175.900 -0.098 0.000 1.165 376 Y CA 1.545 59.644 58.100 -0.001 0.000 1.148 376 Y CB -0.412 38.092 38.460 0.074 0.000 0.972 376 Y HN -0.058 nan 8.280 nan 0.000 0.504 377 L N -0.474 120.734 121.223 -0.025 0.000 2.046 377 L HA -0.220 4.122 4.340 0.004 0.000 0.208 377 L C 2.833 179.598 176.870 -0.174 0.000 1.077 377 L CA 1.114 55.810 54.840 -0.240 0.000 0.747 377 L CB -1.001 40.903 42.059 -0.258 0.000 0.896 377 L HN 0.366 nan 8.230 nan 0.000 0.432 378 A N -0.013 122.783 122.820 -0.039 0.000 1.883 378 A HA -0.302 4.020 4.320 0.004 0.000 0.217 378 A C 2.245 179.801 177.584 -0.045 0.000 1.186 378 A CA 2.087 54.136 52.037 0.019 0.000 0.624 378 A CB -0.636 18.442 19.000 0.129 0.000 0.822 378 A HN 0.507 nan 8.150 nan 0.000 0.444 379 E N -0.143 120.000 120.200 -0.094 0.000 2.118 379 E HA -0.219 4.133 4.350 0.004 0.000 0.195 379 E C 1.565 178.073 176.600 -0.154 0.000 0.992 379 E CA 1.520 57.849 56.400 -0.118 0.000 0.804 379 E CB -0.115 29.501 29.700 -0.140 0.000 0.741 379 E HN 0.574 nan 8.360 nan 0.000 0.458 380 K N -1.300 118.960 120.400 -0.234 0.000 2.551 380 K HA 0.066 4.389 4.320 0.004 0.000 0.192 380 K C 0.806 177.332 176.600 -0.123 0.000 1.027 380 K CA 0.497 56.657 56.287 -0.212 0.000 1.059 380 K CB 0.496 32.809 32.500 -0.313 0.000 0.831 380 K HN 0.363 nan 8.250 nan 0.000 0.508 381 G N 0.141 108.888 108.800 -0.089 0.000 2.201 381 G HA2 -0.193 3.770 3.960 0.004 0.000 0.212 381 G HA3 -0.193 3.770 3.960 0.004 0.000 0.212 381 G C -0.340 174.537 174.900 -0.037 0.000 0.994 381 G CA -0.576 44.495 45.100 -0.048 0.000 0.644 381 G HN 0.171 nan 8.290 nan 0.000 0.508 382 L N 2.284 123.469 121.223 -0.063 0.000 2.361 382 L HA 0.442 4.784 4.340 0.004 0.000 0.278 382 L C -1.856 175.003 176.870 -0.019 0.000 1.113 382 L CA -1.437 53.369 54.840 -0.057 0.000 0.849 382 L CB 0.466 42.438 42.059 -0.145 0.000 1.155 382 L HN -0.108 nan 8.230 nan 0.000 0.452 383 P HA -0.124 nan 4.420 nan 0.000 0.256 383 P C 0.629 177.897 177.300 -0.054 0.000 1.173 383 P CA 0.339 63.409 63.100 -0.050 0.000 0.768 383 P CB 0.054 31.684 31.700 -0.118 0.000 0.758 384 F N 4.040 123.958 119.950 -0.054 0.000 2.184 384 F HA -0.309 4.221 4.527 0.004 0.000 0.301 384 F C 2.110 177.841 175.800 -0.114 0.000 1.076 384 F CA 1.948 59.929 58.000 -0.031 0.000 1.295 384 F CB -1.064 37.908 39.000 -0.047 0.000 1.026 384 F HN 0.160 nan 8.300 nan 0.000 0.494 385 R N 0.751 120.734 120.500 -0.862 0.000 2.075 385 R HA -0.017 4.326 4.340 0.004 0.000 0.226 385 R C 2.047 178.108 176.300 -0.398 0.000 1.114 385 R CA 1.472 57.133 56.100 -0.733 0.000 0.972 385 R CB -1.679 28.134 30.300 -0.811 0.000 0.869 385 R HN 0.524 nan 8.270 nan 0.000 0.437 386 E N 0.477 120.482 120.200 -0.324 0.000 2.118 386 E HA -0.074 4.278 4.350 0.004 0.000 0.195 386 E C 2.124 178.698 176.600 -0.042 0.000 0.992 386 E CA 1.672 57.947 56.400 -0.209 0.000 0.804 386 E CB -0.328 29.294 29.700 -0.129 0.000 0.741 386 E HN 0.582 nan 8.360 nan 0.000 0.458 387 A N -0.663 122.179 122.820 0.036 0.000 2.014 387 A HA -0.125 4.197 4.320 0.004 0.000 0.218 387 A C 1.628 179.360 177.584 0.248 0.000 1.163 387 A CA 1.444 53.557 52.037 0.126 0.000 0.652 387 A CB -0.706 18.377 19.000 0.138 0.000 0.808 387 A HN 0.322 nan 8.150 nan 0.000 0.449 388 H N -1.176 117.957 119.070 0.106 0.000 2.495 388 H HA -0.024 4.535 4.556 0.004 0.000 0.287 388 H C 1.750 177.262 175.328 0.307 0.000 1.033 388 H CA 1.604 57.771 56.048 0.200 0.000 1.307 388 H CB -0.065 29.823 29.762 0.211 0.000 1.401 388 H HN 0.610 nan 8.280 nan 0.000 0.555 389 H N -1.366 117.795 119.070 0.151 0.000 2.399 389 H HA 0.020 4.578 4.556 0.004 0.000 0.300 389 H C 2.404 177.799 175.328 0.112 0.000 1.048 389 H CA 0.885 56.993 56.048 0.099 0.000 1.370 389 H CB -0.564 29.237 29.762 0.065 0.000 1.428 389 H HN 0.191 nan 8.280 nan 0.000 0.534 390 V N 0.302 120.379 119.914 0.272 0.000 2.358 390 V HA -0.178 3.944 4.120 0.004 0.000 0.246 390 V C 2.106 178.400 176.094 0.334 0.000 1.047 390 V CA 1.481 63.946 62.300 0.275 0.000 1.035 390 V CB -0.561 31.417 31.823 0.259 0.000 0.658 390 V HN 0.248 nan 8.190 nan 0.000 0.452 391 V N 0.944 120.999 119.914 0.235 0.000 2.407 391 V HA -0.109 4.014 4.120 0.004 0.000 0.248 391 V C 2.681 178.806 176.094 0.053 0.000 1.055 391 V CA 1.962 64.344 62.300 0.138 0.000 1.049 391 V CB -1.394 30.480 31.823 0.086 0.000 0.662 391 V HN 0.651 nan 8.190 nan 0.000 0.455 392 G N -0.428 108.413 108.800 0.068 0.000 2.433 392 G HA2 -0.286 3.676 3.960 0.004 0.000 0.216 392 G HA3 -0.286 3.676 3.960 0.004 0.000 0.216 392 G C 1.709 176.606 174.900 -0.005 0.000 1.186 392 G CA 0.866 45.968 45.100 0.003 0.000 0.779 392 G HN 0.383 nan 8.290 nan 0.000 0.543 393 R N -0.021 120.521 120.500 0.070 0.000 2.103 393 R HA -0.057 4.285 4.340 0.004 0.000 0.242 393 R C 2.544 178.887 176.300 0.071 0.000 1.142 393 R CA 1.522 57.674 56.100 0.086 0.000 0.960 393 R CB -0.498 29.897 30.300 0.158 0.000 0.858 393 R HN 0.436 nan 8.270 nan 0.000 0.439 394 L N 0.812 122.066 121.223 0.052 0.000 1.963 394 L HA -0.244 4.098 4.340 0.004 0.000 0.220 394 L C 2.523 179.273 176.870 -0.200 0.000 1.076 394 L CA 2.323 57.009 54.840 -0.257 0.000 0.772 394 L CB -0.541 41.167 42.059 -0.585 0.000 0.892 394 L HN 0.254 nan 8.230 nan 0.000 0.435 395 V N -1.814 117.971 119.914 -0.215 0.000 2.332 395 V HA -0.285 3.837 4.120 0.004 0.000 0.248 395 V C 2.546 178.422 176.094 -0.363 0.000 1.055 395 V CA 1.981 64.065 62.300 -0.359 0.000 1.038 395 V CB -1.094 30.489 31.823 -0.400 0.000 0.651 395 V HN 0.513 nan 8.190 nan 0.000 0.450 396 R N 0.045 120.415 120.500 -0.218 0.000 2.117 396 R HA -0.186 4.156 4.340 0.004 0.000 0.243 396 R C 2.675 178.899 176.300 -0.126 0.000 1.143 396 R CA 2.192 58.196 56.100 -0.160 0.000 0.968 396 R CB -0.542 29.706 30.300 -0.087 0.000 0.863 396 R HN 0.559 nan 8.270 nan 0.000 0.444 397 R N 0.953 121.397 120.500 -0.093 0.000 2.073 397 R HA -0.016 4.327 4.340 0.004 0.000 0.229 397 R C 2.347 178.603 176.300 -0.073 0.000 1.120 397 R CA 0.840 56.909 56.100 -0.052 0.000 0.967 397 R CB -0.141 30.157 30.300 -0.003 0.000 0.862 397 R HN 0.186 nan 8.270 nan 0.000 0.436 398 L N 0.435 121.585 121.223 -0.121 0.000 2.081 398 L HA -0.211 4.131 4.340 0.004 0.000 0.212 398 L C 2.356 179.187 176.870 -0.066 0.000 1.080 398 L CA 1.167 55.955 54.840 -0.087 0.000 0.754 398 L CB -0.356 41.640 42.059 -0.105 0.000 0.893 398 L HN 0.105 nan 8.230 nan 0.000 0.433 399 V N -0.094 119.718 119.914 -0.170 0.000 2.358 399 V HA -0.280 3.842 4.120 0.004 0.000 0.246 399 V C 2.494 178.570 176.094 -0.029 0.000 1.047 399 V CA 1.993 64.241 62.300 -0.087 0.000 1.035 399 V CB -0.591 31.143 31.823 -0.150 0.000 0.658 399 V HN 0.578 nan 8.190 nan 0.000 0.452 400 E N 0.988 121.161 120.200 -0.044 0.000 2.085 400 E HA -0.294 4.059 4.350 0.004 0.000 0.194 400 E C 1.792 178.389 176.600 -0.006 0.000 0.994 400 E CA 1.965 58.352 56.400 -0.022 0.000 0.801 400 E CB -0.146 29.540 29.700 -0.023 0.000 0.743 400 E HN 0.781 nan 8.360 nan 0.000 0.453 401 E N -0.529 119.669 120.200 -0.004 0.000 2.489 401 E HA 0.136 4.489 4.350 0.004 0.000 0.193 401 E C 0.710 177.322 176.600 0.019 0.000 1.057 401 E CA 0.259 56.663 56.400 0.006 0.000 0.866 401 E CB 0.454 30.157 29.700 0.005 0.000 0.916 401 E HN 0.438 nan 8.360 nan 0.000 0.500 402 G N 2.386 111.205 108.800 0.031 0.000 2.338 402 G HA2 -0.333 3.629 3.960 0.004 0.000 0.296 402 G HA3 -0.333 3.629 3.960 0.004 0.000 0.296 402 G C -0.256 174.682 174.900 0.062 0.000 1.040 402 G CA 0.377 45.508 45.100 0.052 0.000 1.004 402 G HN 0.155 nan 8.290 nan 0.000 0.509 403 R N -0.631 119.925 120.500 0.093 0.000 2.807 403 R HA 0.792 5.134 4.340 0.004 0.000 0.276 403 R C 0.385 176.787 176.300 0.170 0.000 0.979 403 R CA -0.288 55.864 56.100 0.086 0.000 0.928 403 R CB 1.699 32.031 30.300 0.052 0.000 1.191 403 R HN 0.512 nan 8.270 nan 0.000 0.471 404 A N 1.241 124.099 122.820 0.064 0.000 2.257 404 A HA 0.249 4.571 4.320 0.004 0.000 0.289 404 A C 0.656 178.271 177.584 0.051 0.000 1.095 404 A CA -0.468 51.550 52.037 -0.032 0.000 0.836 404 A CB 0.380 19.289 19.000 -0.151 0.000 1.111 404 A HN 0.721 nan 8.150 nan 0.000 0.497 405 L N 0.047 121.270 121.223 0.000 0.000 2.291 405 L HA -0.055 4.287 4.340 0.004 0.000 0.214 405 L C 2.351 179.199 176.870 -0.036 0.000 1.120 405 L CA 2.239 57.104 54.840 0.042 0.000 0.799 405 L CB -0.567 41.527 42.059 0.058 0.000 0.925 405 L HN 0.868 nan 8.230 nan 0.000 0.446 406 K N -1.992 118.374 120.400 -0.056 0.000 2.288 406 K HA -0.091 4.232 4.320 0.004 0.000 0.201 406 K C 0.908 177.483 176.600 -0.042 0.000 1.048 406 K CA 1.372 57.629 56.287 -0.050 0.000 0.956 406 K CB -0.319 32.154 32.500 -0.046 0.000 0.746 406 K HN 0.268 nan 8.250 nan 0.000 0.461 407 D N 1.041 121.420 120.400 -0.034 0.000 2.323 407 D HA 0.013 4.656 4.640 0.004 0.000 0.209 407 D C 0.638 176.915 176.300 -0.038 0.000 0.973 407 D CA 0.143 54.126 54.000 -0.029 0.000 0.874 407 D CB 0.098 40.888 40.800 -0.016 0.000 0.930 407 D HN 0.101 nan 8.370 nan 0.000 0.521 408 L N 2.136 123.326 121.223 -0.054 0.000 2.543 408 L HA 0.003 4.346 4.340 0.004 0.000 0.285 408 L C 1.100 177.924 176.870 -0.078 0.000 1.236 408 L CA 0.988 55.780 54.840 -0.079 0.000 0.871 408 L CB 0.142 42.122 42.059 -0.132 0.000 1.121 408 L HN 0.087 nan 8.230 nan 0.000 0.501 409 T N 0.249 114.761 114.554 -0.070 0.000 2.945 409 T HA 0.301 4.653 4.350 0.004 0.000 0.286 409 T C 1.209 175.869 174.700 -0.066 0.000 1.025 409 T CA -0.895 61.172 62.100 -0.055 0.000 1.039 409 T CB 1.936 70.785 68.868 -0.031 0.000 1.068 409 T HN 0.504 nan 8.240 nan 0.000 0.497 410 L N 0.537 121.731 121.223 -0.048 0.000 2.046 410 L HA -0.098 4.245 4.340 0.004 0.000 0.208 410 L C 2.318 179.184 176.870 -0.007 0.000 1.077 410 L CA 1.970 56.788 54.840 -0.036 0.000 0.747 410 L CB -0.733 41.320 42.059 -0.011 0.000 0.896 410 L HN 0.724 nan 8.230 nan 0.000 0.432 411 E N 0.183 120.383 120.200 0.002 0.000 2.058 411 E HA -0.317 4.035 4.350 0.004 0.000 0.194 411 E C 1.881 178.495 176.600 0.023 0.000 0.997 411 E CA 1.656 58.067 56.400 0.018 0.000 0.801 411 E CB -0.437 29.271 29.700 0.013 0.000 0.746 411 E HN 0.634 nan 8.360 nan 0.000 0.450 412 E N 0.323 120.525 120.200 0.003 0.000 2.118 412 E HA -0.182 4.171 4.350 0.004 0.000 0.195 412 E C 1.979 178.585 176.600 0.010 0.000 0.992 412 E CA 0.608 57.012 56.400 0.006 0.000 0.804 412 E CB 0.006 29.694 29.700 -0.020 0.000 0.741 412 E HN 0.055 nan 8.360 nan 0.000 0.458 413 L N 1.006 122.198 121.223 -0.051 0.000 2.240 413 L HA -0.078 4.264 4.340 0.004 0.000 0.211 413 L C 2.059 178.989 176.870 0.101 0.000 1.106 413 L CA 1.554 56.316 54.840 -0.130 0.000 0.793 413 L CB -0.259 41.589 42.059 -0.351 0.000 0.927 413 L HN 0.155 nan 8.230 nan 0.000 0.446 414 Q N -1.405 118.467 119.800 0.121 0.000 2.172 414 Q HA -0.057 4.285 4.340 0.004 0.000 0.200 414 Q C 2.214 178.312 176.000 0.164 0.000 0.964 414 Q CA 1.172 57.085 55.803 0.183 0.000 0.855 414 Q CB -0.129 28.680 28.738 0.120 0.000 0.918 414 Q HN 0.595 nan 8.270 nan 0.000 0.444 415 A N 0.269 123.165 122.820 0.126 0.000 1.898 415 A HA -0.223 4.099 4.320 0.004 0.000 0.216 415 A C 1.661 179.315 177.584 0.117 0.000 1.181 415 A CA 1.636 53.729 52.037 0.093 0.000 0.620 415 A CB -0.683 18.360 19.000 0.072 0.000 0.819 415 A HN 0.346 nan 8.150 nan 0.000 0.442 416 H N -1.585 117.549 119.070 0.106 0.000 2.290 416 H HA -0.079 4.479 4.556 0.004 0.000 0.298 416 H C 0.436 175.911 175.328 0.246 0.000 1.087 416 H CA 2.232 58.372 56.048 0.154 0.000 1.291 416 H CB -0.078 29.775 29.762 0.151 0.000 1.369 416 H HN 0.680 nan 8.280 nan 0.000 0.492 417 H N -2.115 117.155 119.070 0.334 0.000 3.026 417 H HA 0.164 4.722 4.556 0.004 0.000 0.352 417 H C -1.918 173.542 175.328 0.219 0.000 1.090 417 H CA -1.569 54.619 56.048 0.234 0.000 1.268 417 H CB 1.819 31.733 29.762 0.253 0.000 1.816 417 H HN -0.053 nan 8.280 nan 0.000 0.518 418 P HA -0.192 nan 4.420 nan 0.000 0.216 418 P C 1.502 178.939 177.300 0.229 0.000 1.150 418 P CA 1.119 64.279 63.100 0.100 0.000 0.843 418 P CB 0.512 32.190 31.700 -0.037 0.000 0.787 419 L N -2.236 119.210 121.223 0.373 0.000 2.137 419 L HA -0.152 4.190 4.340 0.004 0.000 0.213 419 L C 1.371 178.349 176.870 0.180 0.000 1.085 419 L CA 0.783 55.718 54.840 0.159 0.000 0.760 419 L CB -0.942 41.093 42.059 -0.041 0.000 0.893 419 L HN -0.114 nan 8.230 nan 0.000 0.434 420 F N -0.309 119.854 119.950 0.355 0.000 2.553 420 F HA 0.298 4.828 4.527 0.004 0.000 0.356 420 F C 0.700 176.609 175.800 0.181 0.000 1.142 420 F CA 0.204 58.362 58.000 0.262 0.000 1.322 420 F CB 0.279 39.337 39.000 0.095 0.000 1.126 420 F HN -0.079 nan 8.300 nan 0.000 0.599 421 A N 1.662 124.689 122.820 0.345 0.000 2.533 421 A HA 0.433 4.755 4.320 0.004 0.000 0.293 421 A C 0.946 178.601 177.584 0.119 0.000 1.228 421 A CA -0.572 51.593 52.037 0.213 0.000 0.689 421 A CB 0.734 19.868 19.000 0.223 0.000 1.303 421 A HN 0.554 nan 8.150 nan 0.000 0.444 422 E N 0.205 120.458 120.200 0.089 0.000 2.130 422 E HA -0.258 4.094 4.350 0.004 0.000 0.196 422 E C 1.240 177.860 176.600 0.034 0.000 0.998 422 E CA 2.147 58.576 56.400 0.047 0.000 0.806 422 E CB -0.210 29.517 29.700 0.045 0.000 0.738 422 E HN 0.728 nan 8.360 nan 0.000 0.459 423 D N -0.202 120.241 120.400 0.071 0.000 2.264 423 D HA -0.092 4.551 4.640 0.004 0.000 0.208 423 D C 1.703 178.001 176.300 -0.004 0.000 0.966 423 D CA 1.129 55.173 54.000 0.073 0.000 0.864 423 D CB -0.334 40.564 40.800 0.163 0.000 0.933 423 D HN 0.129 nan 8.370 nan 0.000 0.499 424 A N 0.646 123.388 122.820 -0.130 0.000 1.969 424 A HA -0.008 4.314 4.320 0.004 0.000 0.218 424 A C 2.296 179.771 177.584 -0.182 0.000 1.169 424 A CA 0.796 52.639 52.037 -0.323 0.000 0.635 424 A CB -0.824 17.923 19.000 -0.420 0.000 0.810 424 A HN 0.290 nan 8.150 nan 0.000 0.445 425 L N 0.187 121.338 121.223 -0.120 0.000 1.997 425 L HA -0.165 4.177 4.340 0.004 0.000 0.216 425 L C -0.317 176.514 176.870 -0.064 0.000 1.074 425 L CA 1.911 56.694 54.840 -0.095 0.000 0.763 425 L CB -1.723 40.300 42.059 -0.060 0.000 0.890 425 L HN 0.301 nan 8.230 nan 0.000 0.434 426 P HA -0.157 nan 4.420 nan 0.000 0.227 426 P C 1.008 178.303 177.300 -0.007 0.000 1.145 426 P CA 1.167 64.262 63.100 -0.007 0.000 0.769 426 P CB -0.022 31.685 31.700 0.012 0.000 0.769 427 L N -1.381 119.820 121.223 -0.036 0.000 2.653 427 L HA 0.091 4.434 4.340 0.004 0.000 0.232 427 L C 1.832 178.668 176.870 -0.058 0.000 1.169 427 L CA 0.623 55.441 54.840 -0.036 0.000 0.951 427 L CB -0.650 41.387 42.059 -0.036 0.000 1.181 427 L HN -0.098 nan 8.230 nan 0.000 0.460 428 L N -1.163 120.024 121.223 -0.060 0.000 2.537 428 L HA 0.257 4.600 4.340 0.004 0.000 0.224 428 L C 0.931 177.771 176.870 -0.050 0.000 1.065 428 L CA 0.675 55.474 54.840 -0.067 0.000 0.860 428 L CB -0.255 41.756 42.059 -0.080 0.000 1.086 428 L HN 0.159 nan 8.230 nan 0.000 0.482 429 R N -0.014 120.470 120.500 -0.025 0.000 2.343 429 R HA 0.197 4.539 4.340 0.004 0.000 0.320 429 R C 0.909 177.217 176.300 0.013 0.000 0.956 429 R CA -0.518 55.585 56.100 0.005 0.000 0.836 429 R CB 1.973 32.293 30.300 0.033 0.000 1.151 429 R HN -0.161 nan 8.270 nan 0.000 0.450 430 L N 3.516 124.727 121.223 -0.020 0.000 2.085 430 L HA -0.297 4.045 4.340 0.004 0.000 0.218 430 L C 1.319 178.178 176.870 -0.020 0.000 1.080 430 L CA 2.052 56.810 54.840 -0.138 0.000 0.776 430 L CB -0.219 41.597 42.059 -0.404 0.000 0.891 430 L HN 0.672 nan 8.230 nan 0.000 0.437 431 E N -1.094 119.254 120.200 0.246 0.000 2.164 431 E HA -0.269 4.083 4.350 0.004 0.000 0.206 431 E C 1.920 178.647 176.600 0.211 0.000 1.032 431 E CA 2.409 59.003 56.400 0.324 0.000 0.832 431 E CB -0.517 29.329 29.700 0.243 0.000 0.742 431 E HN 0.796 nan 8.360 nan 0.000 0.460 432 T N -3.755 110.891 114.554 0.153 0.000 2.969 432 T HA 0.442 4.795 4.350 0.004 0.000 0.250 432 T C 1.852 176.650 174.700 0.164 0.000 1.021 432 T CA 0.161 62.399 62.100 0.231 0.000 1.003 432 T CB 0.234 69.182 68.868 0.133 0.000 1.040 432 T HN 0.160 nan 8.240 nan 0.000 0.492 433 A N 2.671 125.510 122.820 0.031 0.000 1.969 433 A HA 0.150 4.473 4.320 0.004 0.000 0.218 433 A C 2.271 179.809 177.584 -0.076 0.000 1.169 433 A CA 1.341 53.366 52.037 -0.020 0.000 0.635 433 A CB -0.982 17.982 19.000 -0.061 0.000 0.810 433 A HN 0.748 nan 8.150 nan 0.000 0.445 434 I N -2.611 117.849 120.570 -0.183 0.000 2.335 434 I HA -0.262 3.910 4.170 0.004 0.000 0.251 434 I C 1.838 177.804 176.117 -0.252 0.000 1.129 434 I CA 1.505 62.639 61.300 -0.277 0.000 1.402 434 I CB -1.197 36.563 38.000 -0.401 0.000 1.069 434 I HN 0.313 nan 8.210 nan 0.000 0.424 435 H N 1.719 120.762 119.070 -0.045 0.000 2.568 435 H HA 0.025 4.584 4.556 0.004 0.000 0.281 435 H C 2.081 177.394 175.328 -0.024 0.000 1.028 435 H CA 0.645 56.676 56.048 -0.028 0.000 1.199 435 H CB -0.208 29.550 29.762 -0.008 0.000 1.352 435 H HN 0.496 nan 8.280 nan 0.000 0.605 436 R N 1.077 121.601 120.500 0.041 0.000 2.061 436 R HA -0.000 4.342 4.340 0.004 0.000 0.230 436 R C 0.933 177.236 176.300 0.006 0.000 1.140 436 R CA 0.471 56.590 56.100 0.031 0.000 0.940 436 R CB -0.057 30.254 30.300 0.018 0.000 0.839 436 R HN 0.167 nan 8.270 nan 0.000 0.429 437 R N 2.321 122.800 120.500 -0.034 0.000 4.154 437 R HA 0.014 4.356 4.340 0.004 0.000 0.186 437 R C 0.755 177.026 176.300 -0.048 0.000 1.750 437 R CA 0.065 56.138 56.100 -0.045 0.000 1.431 437 R CB -0.083 30.170 30.300 -0.077 0.000 1.383 437 R HN 0.280 nan 8.270 nan 0.000 0.788 438 R N -0.529 119.966 120.500 -0.009 0.000 2.391 438 R HA 0.075 4.418 4.340 0.004 0.000 0.249 438 R C 0.046 176.363 176.300 0.028 0.000 0.957 438 R CA -0.166 55.938 56.100 0.007 0.000 1.093 438 R CB 0.272 30.591 30.300 0.032 0.000 1.156 438 R HN 0.183 nan 8.270 nan 0.000 0.526 439 S N -0.150 115.565 115.700 0.024 0.000 2.600 439 S HA -0.015 4.457 4.470 0.004 0.000 0.265 439 S C -0.136 174.527 174.600 0.105 0.000 1.325 439 S CA -0.891 57.347 58.200 0.063 0.000 1.002 439 S CB 0.349 63.577 63.200 0.047 0.000 0.921 439 S HN 0.363 nan 8.310 nan 0.000 0.554 440 Y N 1.302 121.607 120.300 0.009 0.000 2.745 440 Y HA 0.314 4.867 4.550 0.004 0.000 0.335 440 Y C 1.553 177.475 175.900 0.038 0.000 1.212 440 Y CA 1.170 59.283 58.100 0.021 0.000 1.535 440 Y CB -0.561 37.911 38.460 0.020 0.000 1.220 440 Y HN 1.226 nan 8.280 nan 0.000 0.531 441 G N 3.408 112.029 108.800 -0.297 0.000 2.141 441 G HA2 -0.239 3.724 3.960 0.004 0.000 0.242 441 G HA3 -0.239 3.724 3.960 0.004 0.000 0.242 441 G C 0.399 175.308 174.900 0.015 0.000 0.982 441 G CA -0.078 44.924 45.100 -0.163 0.000 0.662 441 G HN 1.169 nan 8.290 nan 0.000 0.527 442 G N -1.278 107.461 108.800 -0.101 0.000 2.588 442 G HA2 0.515 4.477 3.960 0.004 0.000 0.281 442 G HA3 0.515 4.477 3.960 0.004 0.000 0.281 442 G C 0.979 175.519 174.900 -0.600 0.000 1.236 442 G CA 0.823 45.787 45.100 -0.227 0.000 0.969 442 G HN 0.436 nan 8.290 nan 0.000 0.504 443 T N 0.535 114.740 114.554 -0.582 0.000 3.067 443 T HA 0.271 4.623 4.350 0.004 0.000 0.257 443 T C 1.540 176.050 174.700 -0.318 0.000 1.105 443 T CA 0.550 62.275 62.100 -0.625 0.000 1.104 443 T CB -0.140 68.503 68.868 -0.374 0.000 0.925 443 T HN 0.848 nan 8.240 nan 0.000 0.498 444 A N 2.814 125.500 122.820 -0.222 0.000 2.591 444 A HA 0.119 4.442 4.320 0.004 0.000 0.244 444 A C -0.927 176.601 177.584 -0.093 0.000 1.031 444 A CA -0.764 51.191 52.037 -0.137 0.000 0.767 444 A CB -0.041 18.924 19.000 -0.058 0.000 0.942 444 A HN 0.141 nan 8.150 nan 0.000 0.514 445 P HA -0.190 nan 4.420 nan 0.000 0.219 445 P C 0.993 178.319 177.300 0.043 0.000 1.144 445 P CA 1.454 64.548 63.100 -0.009 0.000 0.806 445 P CB 0.285 31.991 31.700 0.009 0.000 0.771 446 E N -0.989 119.246 120.200 0.060 0.000 2.086 446 E HA 0.002 4.355 4.350 0.004 0.000 0.190 446 E C 2.109 178.734 176.600 0.042 0.000 0.975 446 E CA 1.217 57.653 56.400 0.060 0.000 0.813 446 E CB -1.152 28.590 29.700 0.070 0.000 0.768 446 E HN 0.151 nan 8.360 nan 0.000 0.457 447 A N 1.027 123.859 122.820 0.021 0.000 1.898 447 A HA -0.091 4.232 4.320 0.004 0.000 0.216 447 A C 2.570 180.162 177.584 0.013 0.000 1.181 447 A CA 1.247 53.294 52.037 0.017 0.000 0.620 447 A CB -0.659 18.330 19.000 -0.019 0.000 0.819 447 A HN 0.120 nan 8.150 nan 0.000 0.442 448 V N -0.090 119.824 119.914 -0.000 0.000 2.343 448 V HA -0.251 3.872 4.120 0.004 0.000 0.247 448 V C 2.648 178.768 176.094 0.043 0.000 1.051 448 V CA 2.263 64.592 62.300 0.048 0.000 1.036 448 V CB -0.748 31.104 31.823 0.049 0.000 0.654 448 V HN 0.548 nan 8.190 nan 0.000 0.451 449 R N -0.398 120.125 120.500 0.038 0.000 2.073 449 R HA -0.224 4.119 4.340 0.004 0.000 0.234 449 R C 2.430 178.748 176.300 0.030 0.000 1.134 449 R CA 2.004 58.126 56.100 0.036 0.000 0.952 449 R CB -0.262 30.063 30.300 0.042 0.000 0.850 449 R HN 0.639 nan 8.270 nan 0.000 0.433 450 E N -0.054 120.170 120.200 0.040 0.000 2.085 450 E HA -0.218 4.135 4.350 0.004 0.000 0.194 450 E C 1.942 178.567 176.600 0.041 0.000 0.994 450 E CA 1.172 57.602 56.400 0.050 0.000 0.801 450 E CB 0.179 29.925 29.700 0.077 0.000 0.743 450 E HN 0.154 nan 8.360 nan 0.000 0.453 451 R N 0.171 120.687 120.500 0.026 0.000 2.115 451 R HA -0.042 4.301 4.340 0.004 0.000 0.226 451 R C 2.434 178.702 176.300 -0.053 0.000 1.100 451 R CA 0.459 56.556 56.100 -0.006 0.000 0.980 451 R CB -0.641 29.645 30.300 -0.023 0.000 0.875 451 R HN 0.342 nan 8.270 nan 0.000 0.445 452 L N 1.391 122.589 121.223 -0.041 0.000 2.362 452 L HA -0.160 4.182 4.340 0.004 0.000 0.219 452 L C 2.615 179.445 176.870 -0.066 0.000 1.134 452 L CA 1.531 56.327 54.840 -0.074 0.000 0.807 452 L CB -0.323 41.720 42.059 -0.026 0.000 0.927 452 L HN 0.299 nan 8.230 nan 0.000 0.447 453 E N 0.111 120.293 120.200 -0.029 0.000 2.033 453 E HA -0.241 4.112 4.350 0.004 0.000 0.189 453 E C 1.815 178.403 176.600 -0.019 0.000 0.979 453 E CA 1.176 57.567 56.400 -0.014 0.000 0.802 453 E CB -0.533 29.173 29.700 0.010 0.000 0.763 453 E HN 0.601 nan 8.360 nan 0.000 0.449 454 E N -0.022 120.172 120.200 -0.010 0.000 2.021 454 E HA -0.157 4.196 4.350 0.004 0.000 0.200 454 E C 2.527 179.111 176.600 -0.026 0.000 1.015 454 E CA 1.179 57.584 56.400 0.007 0.000 0.824 454 E CB -0.330 29.392 29.700 0.036 0.000 0.762 454 E HN 0.513 nan 8.360 nan 0.000 0.454 455 A N 1.671 124.408 122.820 -0.140 0.000 1.915 455 A HA -0.312 4.010 4.320 0.004 0.000 0.220 455 A C 2.006 179.509 177.584 -0.134 0.000 1.198 455 A CA 1.858 53.700 52.037 -0.325 0.000 0.647 455 A CB -0.495 18.047 19.000 -0.764 0.000 0.825 455 A HN 0.044 nan 8.150 nan 0.000 0.456 456 K N -0.728 119.613 120.400 -0.099 0.000 1.991 456 K HA -0.181 4.141 4.320 0.004 0.000 0.212 456 K C 2.546 179.144 176.600 -0.004 0.000 1.049 456 K CA 2.170 58.431 56.287 -0.042 0.000 0.932 456 K CB -0.737 31.744 32.500 -0.032 0.000 0.717 456 K HN 0.565 nan 8.250 nan 0.000 0.441 457 K N 1.802 122.204 120.400 0.004 0.000 2.097 457 K HA -0.181 4.142 4.320 0.004 0.000 0.206 457 K C 2.034 178.656 176.600 0.036 0.000 1.049 457 K CA 1.920 58.218 56.287 0.020 0.000 0.933 457 K CB -0.598 31.915 32.500 0.021 0.000 0.717 457 K HN 0.422 nan 8.250 nan 0.000 0.442 458 E N 0.030 120.264 120.200 0.057 0.000 2.051 458 E HA -0.112 4.241 4.350 0.004 0.000 0.192 458 E C 1.953 178.610 176.600 0.096 0.000 0.991 458 E CA 1.670 58.127 56.400 0.095 0.000 0.799 458 E CB -0.042 29.762 29.700 0.175 0.000 0.748 458 E HN 0.534 nan 8.360 nan 0.000 0.449 459 V N -2.465 117.511 119.914 0.103 0.000 3.633 459 V HA 0.366 4.488 4.120 0.004 0.000 0.283 459 V C 0.987 177.108 176.094 0.045 0.000 1.305 459 V CA 0.448 62.800 62.300 0.087 0.000 1.153 459 V CB -0.244 31.651 31.823 0.120 0.000 0.950 459 V HN 0.290 nan 8.190 nan 0.000 0.432 460 G N 0.710 109.531 108.800 0.035 0.000 2.273 460 G HA2 -0.268 3.695 3.960 0.004 0.000 0.280 460 G HA3 -0.268 3.695 3.960 0.004 0.000 0.280 460 G C 0.346 175.254 174.900 0.014 0.000 1.047 460 G CA 0.966 46.078 45.100 0.021 0.000 0.869 460 G HN 0.552 nan 8.290 nan 0.000 0.502 461 L N -0.772 120.457 121.223 0.010 0.000 2.121 461 L HA 0.174 4.516 4.340 0.004 0.000 0.200 461 L C 1.602 178.473 176.870 0.001 0.000 1.077 461 L CA 0.649 55.491 54.840 0.003 0.000 0.766 461 L CB -0.481 41.576 42.059 -0.004 0.000 0.931 461 L HN 0.354 nan 8.230 nan 0.000 0.452 462 D N 0.000 120.399 120.400 -0.001 0.000 6.856 462 D HA 0.000 4.642 4.640 0.004 0.000 0.175 462 D CA 0.000 54.000 54.000 0.000 0.000 0.868 462 D CB 0.000 40.802 40.800 0.004 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683