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 2ad6_1_C DATA FIRST_RESID 1 DATA SEQUENCE DADLDKQVNT AGAWPIATGG YYSQHNSPLA QINKSNVKNV KAAWSFSTGV DATA SEQUENCE LNGHEGAPLV IGDMMYVHSA FPNNTYALNL NDPGKIVWQH KPKQDASTKA DATA SEQUENCE VMCCDVVDRG LAYGAGQIVK KQANGHLLAL DAKTGKINWE VEVcDPKVGS DATA SEQUENCE TLTQAPFVAK DTVLMGcSGA ELGVRGAVNA FDLKTGELKW RAFATGSDDS DATA SEQUENCE VRLAKDFNSA NPHYGQFGLG TKTWEGDAWK IGGGTNWGWY AYDPKLNLFY DATA SEQUENCE YGSGNPAPWN ETMRPGDNKW TMTIWGRDLD TGMAKWGYQK TPHDEWDFAG DATA SEQUENCE VNQMVLTDQP VNGKMTPLLS HIDRNGILYT LNRENGNLIV AEKVDPAVNV DATA SEQUENCE FKKVDLKTGT PVRDPEFATR MDHKGTNIcP SAMGFHNQGV DSYDPESRTL DATA SEQUENCE YAGLNHIcMD WEPFMLPYRA GQFFVGATLA MYPGPNGPTK KEMGQIRAFD DATA SEQUENCE LTTGKAKWTK WEKFAAWGGT LYTKGGLVWY ATLDGYLKAL DNKDGKELWN DATA SEQUENCE FKMPSGGIGS PMTYSFKGKQ YIGSMYGVGG WPGVGLVFDL TDPSAGLGAV DATA SEQUENCE GAFRELQNHT QMGGGLMVFS L 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.342 176.300 0.071 0.000 2.045 1 D CA 0.000 54.017 54.000 0.028 0.000 0.868 1 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 2 A N 0.039 122.893 122.820 0.057 0.000 1.940 2 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 2 A C 1.696 179.331 177.584 0.085 0.000 1.176 2 A CA 2.701 54.781 52.037 0.071 0.000 0.631 2 A CB -0.985 18.046 19.000 0.051 0.000 0.814 2 A HN 0.642 nan 8.150 nan 0.000 0.446 3 D N -0.744 119.702 120.400 0.076 0.000 2.117 3 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 3 D C 1.759 178.167 176.300 0.181 0.000 0.982 3 D CA 1.218 55.286 54.000 0.112 0.000 0.828 3 D CB -0.172 40.678 40.800 0.084 0.000 0.967 3 D HN 0.251 nan 8.370 nan 0.000 0.464 4 L N 0.575 121.900 121.223 0.169 0.000 2.046 4 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 4 L C 1.432 178.387 176.870 0.141 0.000 1.077 4 L CA 1.872 56.834 54.840 0.203 0.000 0.747 4 L CB -0.754 41.397 42.059 0.153 0.000 0.896 4 L HN -0.033 nan 8.230 nan 0.000 0.432 5 D N -0.176 120.326 120.400 0.170 0.000 2.123 5 D HA -0.246 4.394 4.640 -0.001 0.000 0.196 5 D C 2.112 178.473 176.300 0.101 0.000 0.992 5 D CA 1.420 55.523 54.000 0.172 0.000 0.833 5 D CB -0.071 40.836 40.800 0.179 0.000 0.954 5 D HN 0.427 nan 8.370 nan 0.000 0.455 6 K N 0.307 120.764 120.400 0.095 0.000 2.063 6 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 6 K C 2.007 178.636 176.600 0.048 0.000 1.048 6 K CA 1.077 57.407 56.287 0.072 0.000 0.928 6 K CB 0.207 32.754 32.500 0.079 0.000 0.713 6 K HN -0.033 nan 8.250 nan 0.000 0.442 7 Q N 0.221 120.044 119.800 0.039 0.000 2.083 7 Q HA -0.085 4.254 4.340 -0.001 0.000 0.198 7 Q C 2.225 178.200 176.000 -0.041 0.000 0.969 7 Q CA 1.013 56.803 55.803 -0.022 0.000 0.838 7 Q CB -0.218 28.456 28.738 -0.106 0.000 0.900 7 Q HN 0.185 nan 8.270 nan 0.000 0.436 8 V N 2.331 122.211 119.914 -0.056 0.000 2.392 8 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 8 V C 1.416 177.486 176.094 -0.040 0.000 1.059 8 V CA 1.587 63.823 62.300 -0.107 0.000 1.051 8 V CB -0.406 31.315 31.823 -0.171 0.000 0.658 8 V HN 0.359 nan 8.190 nan 0.000 0.455 9 N N -0.563 118.140 118.700 0.005 0.000 2.383 9 N HA 0.011 4.750 4.740 -0.001 0.000 0.192 9 N C 0.452 175.979 175.510 0.029 0.000 1.141 9 N CA 0.229 53.294 53.050 0.024 0.000 0.851 9 N CB 0.261 38.773 38.487 0.041 0.000 0.976 9 N HN 0.388 nan 8.380 nan 0.000 0.465 10 T N 1.128 115.698 114.554 0.026 0.000 2.733 10 T HA 0.411 4.760 4.350 -0.001 0.000 0.294 10 T C 0.354 175.087 174.700 0.054 0.000 0.956 10 T CA -0.627 61.497 62.100 0.039 0.000 0.987 10 T CB 1.284 70.174 68.868 0.036 0.000 0.920 10 T HN 0.133 nan 8.240 nan 0.000 0.470 11 A N 2.648 125.503 122.820 0.060 0.000 2.546 11 A HA 0.489 4.809 4.320 -0.001 0.000 0.243 11 A C 1.619 179.265 177.584 0.103 0.000 1.063 11 A CA 0.401 52.482 52.037 0.073 0.000 0.757 11 A CB -0.760 18.277 19.000 0.061 0.000 0.991 11 A HN 1.553 nan 8.150 nan 0.000 0.503 12 G N 0.729 109.608 108.800 0.131 0.000 2.179 12 G HA2 0.136 4.096 3.960 -0.001 0.000 0.260 12 G HA3 0.136 4.096 3.960 -0.001 0.000 0.260 12 G C 0.564 175.612 174.900 0.247 0.000 0.977 12 G CA 0.596 45.809 45.100 0.187 0.000 0.641 12 G HN 2.165 nan 8.290 nan 0.000 0.533 13 A N -0.328 122.604 122.820 0.186 0.000 2.271 13 A HA 0.674 4.993 4.320 -0.001 0.000 0.288 13 A C -0.029 177.707 177.584 0.254 0.000 1.094 13 A CA -0.008 52.130 52.037 0.169 0.000 0.828 13 A CB 0.660 19.696 19.000 0.059 0.000 1.091 13 A HN 1.210 nan 8.150 nan 0.000 0.493 14 W N 3.589 124.889 121.300 0.000 0.000 2.162 14 W HA 0.327 4.987 4.660 -0.000 0.000 0.292 14 W C -2.752 173.753 176.519 -0.024 0.000 0.998 14 W CA -1.540 55.812 57.345 0.013 0.000 1.570 14 W CB 2.104 31.597 29.460 0.056 0.000 1.644 14 W HN 0.637 nan 8.180 nan 0.000 0.360 15 P HA 0.147 nan 4.420 nan 0.000 0.251 15 P C 0.173 177.365 177.300 -0.180 0.000 1.223 15 P CA 0.679 63.671 63.100 -0.179 0.000 0.796 15 P CB 1.375 32.943 31.700 -0.220 0.000 1.068 16 I N -0.561 119.785 120.570 -0.373 0.000 2.499 16 I HA 0.330 4.500 4.170 -0.001 0.000 0.288 16 I C 1.429 177.409 176.117 -0.229 0.000 1.048 16 I CA -1.006 60.133 61.300 -0.270 0.000 1.062 16 I CB 2.156 39.963 38.000 -0.322 0.000 1.238 16 I HN -0.286 nan 8.210 nan 0.000 0.426 17 A N 3.707 126.616 122.820 0.147 0.000 1.927 17 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 17 A C 1.923 179.733 177.584 0.376 0.000 1.185 17 A CA 2.685 54.966 52.037 0.406 0.000 0.639 17 A CB -0.880 18.445 19.000 0.541 0.000 0.820 17 A HN 0.818 nan 8.150 nan 0.000 0.451 18 T N -4.504 110.194 114.554 0.240 0.000 3.144 18 T HA 0.432 4.781 4.350 -0.001 0.000 0.249 18 T C 1.336 176.175 174.700 0.232 0.000 1.089 18 T CA 0.955 63.185 62.100 0.218 0.000 0.989 18 T CB 0.166 69.176 68.868 0.237 0.000 0.992 18 T HN 1.749 nan 8.240 nan 0.000 0.540 19 G N -0.176 108.503 108.800 -0.202 0.000 2.195 19 G HA2 0.210 4.169 3.960 -0.001 0.000 0.246 19 G HA3 0.210 4.169 3.960 -0.001 0.000 0.246 19 G C 0.498 175.163 174.900 -0.391 0.000 0.984 19 G CA -0.372 44.355 45.100 -0.621 0.000 0.633 19 G HN 1.659 nan 8.290 nan 0.000 0.525 20 G N -2.515 106.166 108.800 -0.198 0.000 2.337 20 G HA2 0.489 4.448 3.960 -0.001 0.000 0.298 20 G HA3 0.489 4.448 3.960 -0.001 0.000 0.298 20 G C 0.077 175.019 174.900 0.070 0.000 1.335 20 G CA 0.308 45.305 45.100 -0.172 0.000 0.875 20 G HN 0.422 nan 8.290 nan 0.000 0.579 21 Y N -0.303 120.133 120.300 0.227 0.000 2.207 21 Y HA -0.044 4.505 4.550 -0.001 0.000 0.287 21 Y C 2.534 178.814 175.900 0.632 0.000 1.156 21 Y CA 1.944 60.330 58.100 0.476 0.000 1.182 21 Y CB -0.426 38.301 38.460 0.445 0.000 0.979 21 Y HN 0.576 nan 8.280 nan 0.000 0.521 22 Y N -0.714 119.819 120.300 0.389 0.000 2.583 22 Y HA -0.039 4.510 4.550 -0.001 0.000 0.293 22 Y C 1.083 177.125 175.900 0.237 0.000 1.157 22 Y CA 0.176 58.439 58.100 0.272 0.000 1.315 22 Y CB -0.015 38.550 38.460 0.176 0.000 1.021 22 Y HN -0.099 nan 8.280 nan 0.000 0.536 23 S N 0.722 116.675 115.700 0.422 0.000 3.682 23 S HA -0.273 4.196 4.470 -0.001 0.000 0.354 23 S C 0.756 175.526 174.600 0.282 0.000 1.034 23 S CA 0.567 58.962 58.200 0.326 0.000 1.084 23 S CB -1.456 61.940 63.200 0.327 0.000 0.903 23 S HN 0.631 nan 8.310 nan 0.000 0.470 24 Q N -0.035 119.950 119.800 0.309 0.000 2.451 24 Q HA 0.056 4.395 4.340 -0.001 0.000 0.206 24 Q C 0.699 176.954 176.000 0.425 0.000 0.947 24 Q CA 0.132 56.139 55.803 0.340 0.000 0.937 24 Q CB 0.047 29.014 28.738 0.381 0.000 1.025 24 Q HN 0.828 nan 8.270 nan 0.000 0.511 25 H N 1.538 120.766 119.070 0.263 0.000 2.527 25 H HA -0.172 4.384 4.556 -0.001 0.000 0.321 25 H C -0.796 174.795 175.328 0.438 0.000 1.092 25 H CA 0.868 57.121 56.048 0.342 0.000 1.118 25 H CB -1.228 28.715 29.762 0.301 0.000 1.536 25 H HN 0.582 nan 8.280 nan 0.000 0.407 26 N N -0.669 118.227 118.700 0.327 0.000 3.038 26 N HA 0.572 5.312 4.740 -0.001 0.000 0.307 26 N C -1.200 174.479 175.510 0.282 0.000 1.441 26 N CA -0.617 52.635 53.050 0.338 0.000 0.772 26 N CB 2.715 41.472 38.487 0.451 0.000 1.651 26 N HN 0.123 nan 8.380 nan 0.000 0.593 27 S N -0.659 115.174 115.700 0.221 0.000 2.535 27 S HA 0.407 4.877 4.470 -0.001 0.000 0.272 27 S C -2.546 172.120 174.600 0.110 0.000 1.149 27 S CA -1.123 57.179 58.200 0.171 0.000 0.888 27 S CB 1.918 65.209 63.200 0.152 0.000 1.110 27 S HN 0.560 nan 8.310 nan 0.000 0.463 28 P HA 0.196 nan 4.420 nan 0.000 0.245 28 P C 0.075 177.401 177.300 0.044 0.000 1.206 28 P CA -0.001 63.147 63.100 0.081 0.000 0.781 28 P CB -0.044 31.706 31.700 0.083 0.000 0.994 29 L N 0.706 121.949 121.223 0.032 0.000 2.534 29 L HA 0.135 4.474 4.340 -0.001 0.000 0.271 29 L C 1.296 178.152 176.870 -0.024 0.000 1.178 29 L CA -0.080 54.761 54.840 0.001 0.000 0.907 29 L CB 0.200 42.250 42.059 -0.015 0.000 1.164 29 L HN -0.008 nan 8.230 nan 0.000 0.482 30 A N 2.866 125.674 122.820 -0.021 0.000 2.589 30 A HA 0.076 4.396 4.320 -0.001 0.000 0.283 30 A C 1.566 179.129 177.584 -0.035 0.000 1.187 30 A CA -0.336 51.686 52.037 -0.026 0.000 0.957 30 A CB 0.209 19.204 19.000 -0.007 0.000 1.175 30 A HN 0.861 nan 8.150 nan 0.000 0.532 31 Q N 0.136 119.906 119.800 -0.051 0.000 2.096 31 Q HA -0.061 4.278 4.340 -0.001 0.000 0.204 31 Q C 0.077 176.036 176.000 -0.069 0.000 0.982 31 Q CA 1.209 56.974 55.803 -0.065 0.000 0.850 31 Q CB -0.104 28.579 28.738 -0.092 0.000 0.901 31 Q HN 0.674 nan 8.270 nan 0.000 0.422 32 I N 2.359 122.887 120.570 -0.069 0.000 2.371 32 I HA 0.128 4.298 4.170 -0.001 0.000 0.290 32 I C -0.393 175.708 176.117 -0.028 0.000 1.028 32 I CA -0.643 60.628 61.300 -0.048 0.000 1.345 32 I CB 0.755 38.754 38.000 -0.002 0.000 1.407 32 I HN 0.316 nan 8.210 nan 0.000 0.501 33 N N 4.518 123.185 118.700 -0.054 0.000 3.102 33 N HA 0.362 5.102 4.740 -0.001 0.000 0.299 33 N C 0.008 175.463 175.510 -0.091 0.000 1.482 33 N CA -1.027 51.984 53.050 -0.064 0.000 0.785 33 N CB 0.699 39.159 38.487 -0.044 0.000 1.680 33 N HN 0.209 nan 8.380 nan 0.000 0.594 34 K N -0.431 119.917 120.400 -0.085 0.000 2.103 34 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 34 K C 1.545 178.102 176.600 -0.072 0.000 1.048 34 K CA 1.964 58.196 56.287 -0.093 0.000 0.930 34 K CB -0.314 32.142 32.500 -0.073 0.000 0.716 34 K HN 0.674 nan 8.250 nan 0.000 0.444 35 S N 1.465 117.133 115.700 -0.054 0.000 2.436 35 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 35 S C 1.437 176.013 174.600 -0.039 0.000 1.014 35 S CA 1.236 59.411 58.200 -0.041 0.000 0.950 35 S CB -0.255 62.926 63.200 -0.031 0.000 0.784 35 S HN 0.417 nan 8.310 nan 0.000 0.504 36 N N 0.364 119.033 118.700 -0.051 0.000 2.171 36 N HA 0.165 4.905 4.740 -0.001 0.000 0.212 36 N C 1.102 176.570 175.510 -0.071 0.000 1.184 36 N CA 0.296 53.317 53.050 -0.049 0.000 0.888 36 N CB -0.162 38.295 38.487 -0.049 0.000 1.038 36 N HN 0.221 nan 8.380 nan 0.000 0.517 37 V N 1.858 121.710 119.914 -0.103 0.000 2.568 37 V HA -0.261 3.858 4.120 -0.001 0.000 0.253 37 V C 2.140 178.153 176.094 -0.135 0.000 1.072 37 V CA 2.241 64.430 62.300 -0.186 0.000 1.084 37 V CB -0.573 31.091 31.823 -0.264 0.000 0.676 37 V HN 0.583 nan 8.190 nan 0.000 0.469 38 K N -0.285 120.124 120.400 0.015 0.000 2.280 38 K HA -0.136 4.184 4.320 -0.001 0.000 0.202 38 K C 1.274 177.984 176.600 0.183 0.000 1.047 38 K CA 1.828 58.213 56.287 0.163 0.000 0.942 38 K CB -0.427 32.130 32.500 0.094 0.000 0.739 38 K HN 0.465 nan 8.250 nan 0.000 0.457 39 N N 1.174 119.913 118.700 0.064 0.000 2.336 39 N HA 0.050 4.790 4.740 -0.001 0.000 0.189 39 N C -0.373 175.166 175.510 0.048 0.000 1.113 39 N CA 0.005 53.095 53.050 0.067 0.000 0.858 39 N CB 0.506 39.006 38.487 0.021 0.000 0.970 39 N HN -0.031 nan 8.380 nan 0.000 0.471 40 V N 2.458 122.341 119.914 -0.052 0.000 2.655 40 V HA 0.023 4.142 4.120 -0.001 0.000 0.300 40 V C 0.551 176.767 176.094 0.203 0.000 1.044 40 V CA 0.203 62.421 62.300 -0.136 0.000 1.095 40 V CB 0.477 31.908 31.823 -0.653 0.000 0.952 40 V HN 0.307 nan 8.190 nan 0.000 0.485 41 K N 3.680 124.194 120.400 0.189 0.000 2.466 41 K HA 0.873 5.192 4.320 -0.001 0.000 0.260 41 K C -0.713 176.006 176.600 0.197 0.000 1.011 41 K CA -0.928 55.528 56.287 0.281 0.000 0.871 41 K CB 2.038 34.637 32.500 0.165 0.000 1.404 41 K HN 0.587 nan 8.250 nan 0.000 0.450 42 A N 0.477 123.294 122.820 -0.004 0.000 2.488 42 A HA 0.445 4.764 4.320 -0.001 0.000 0.249 42 A C 0.801 178.236 177.584 -0.249 0.000 1.083 42 A CA 0.272 52.020 52.037 -0.482 0.000 0.768 42 A CB 0.261 18.858 19.000 -0.672 0.000 1.017 42 A HN 0.894 nan 8.150 nan 0.000 0.496 43 A N 3.327 125.970 122.820 -0.295 0.000 1.901 43 A HA 0.517 4.837 4.320 -0.001 0.000 0.210 43 A C 0.658 178.328 177.584 0.143 0.000 1.208 43 A CA 1.132 53.171 52.037 0.003 0.000 0.644 43 A CB 0.001 19.098 19.000 0.163 0.000 0.863 43 A HN 1.477 nan 8.150 nan 0.000 0.454 44 W N -2.256 118.948 121.300 -0.160 0.000 2.926 44 W HA 0.556 5.216 4.660 -0.001 0.000 0.361 44 W C -1.141 175.295 176.519 -0.138 0.000 1.195 44 W CA -0.140 57.133 57.345 -0.120 0.000 1.177 44 W CB 0.123 29.537 29.460 -0.076 0.000 1.453 44 W HN 0.514 nan 8.180 nan 0.000 0.571 45 S N 0.337 116.214 115.700 0.295 0.000 2.618 45 S HA 0.889 5.359 4.470 -0.001 0.000 0.277 45 S C -1.839 173.019 174.600 0.430 0.000 1.138 45 S CA -0.707 57.603 58.200 0.183 0.000 0.844 45 S CB 3.158 66.403 63.200 0.076 0.000 1.127 45 S HN 0.855 nan 8.310 nan 0.000 0.474 46 F N 1.125 121.165 119.950 0.150 0.000 2.630 46 F HA 0.627 5.154 4.527 -0.000 0.000 0.325 46 F C -0.523 175.253 175.800 -0.040 0.000 1.184 46 F CA -0.229 57.817 58.000 0.077 0.000 1.011 46 F CB 1.935 41.015 39.000 0.132 0.000 1.268 46 F HN 0.800 nan 8.300 nan 0.000 0.480 47 S N 2.677 117.981 115.700 -0.660 0.000 2.537 47 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 47 S C 1.099 175.160 174.600 -0.899 0.000 1.272 47 S CA 0.212 58.076 58.200 -0.560 0.000 1.050 47 S CB 1.137 64.138 63.200 -0.333 0.000 0.961 47 S HN 0.838 nan 8.310 nan 0.000 0.496 48 T N 1.398 115.656 114.554 -0.493 0.000 3.067 48 T HA 0.251 4.600 4.350 -0.001 0.000 0.261 48 T C 1.465 176.060 174.700 -0.174 0.000 1.110 48 T CA 0.674 62.595 62.100 -0.299 0.000 1.113 48 T CB -0.517 68.436 68.868 0.142 0.000 0.917 48 T HN 1.577 nan 8.240 nan 0.000 0.499 49 G N 0.507 109.195 108.800 -0.186 0.000 2.143 49 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.248 49 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.248 49 G C -0.034 174.873 174.900 0.012 0.000 0.991 49 G CA 0.088 45.136 45.100 -0.087 0.000 0.689 49 G HN 0.805 nan 8.290 nan 0.000 0.522 50 V N 0.340 120.289 119.914 0.058 0.000 2.876 50 V HA 0.747 4.867 4.120 -0.001 0.000 0.312 50 V C 0.776 176.974 176.094 0.173 0.000 1.085 50 V CA -0.983 61.403 62.300 0.143 0.000 0.945 50 V CB 2.107 34.063 31.823 0.221 0.000 1.017 50 V HN 0.235 nan 8.190 nan 0.000 0.428 51 L N 1.711 123.027 121.223 0.155 0.000 2.902 51 L HA 0.672 5.012 4.340 -0.001 0.000 0.229 51 L C 0.447 177.439 176.870 0.204 0.000 1.324 51 L CA -0.739 54.176 54.840 0.125 0.000 1.230 51 L CB 0.574 42.658 42.059 0.042 0.000 2.134 51 L HN 0.827 nan 8.230 nan 0.000 0.567 52 N N -1.063 117.695 118.700 0.098 0.000 6.320 52 N HA -0.147 4.593 4.740 -0.001 0.000 0.402 52 N C -0.356 175.271 175.510 0.195 0.000 1.032 52 N CA 0.782 53.874 53.050 0.070 0.000 2.000 52 N CB -0.528 37.999 38.487 0.067 0.000 0.715 52 N HN 0.855 nan 8.380 nan 0.000 0.530 53 G N 0.142 109.027 108.800 0.143 0.000 2.340 53 G HA2 0.231 4.191 3.960 -0.001 0.000 0.245 53 G HA3 0.231 4.191 3.960 -0.001 0.000 0.245 53 G C -0.427 174.594 174.900 0.201 0.000 1.294 53 G CA 0.278 45.496 45.100 0.196 0.000 0.896 53 G HN 0.501 nan 8.290 nan 0.000 0.522 54 H N 1.654 120.787 119.070 0.105 0.000 2.643 54 H HA 0.267 4.822 4.556 -0.001 0.000 0.259 54 H C 0.523 175.949 175.328 0.163 0.000 1.298 54 H CA -0.341 55.752 56.048 0.075 0.000 1.301 54 H CB 0.506 30.245 29.762 -0.038 0.000 1.422 54 H HN 0.612 nan 8.280 nan 0.000 0.521 55 E N 0.998 121.370 120.200 0.287 0.000 2.359 55 E HA 0.483 4.833 4.350 -0.001 0.000 0.255 55 E C 0.808 177.710 176.600 0.503 0.000 1.191 55 E CA -0.109 56.535 56.400 0.406 0.000 0.952 55 E CB 0.948 30.913 29.700 0.442 0.000 1.152 55 E HN 0.706 nan 8.360 nan 0.000 0.496 56 G N -0.327 108.810 108.800 0.563 0.000 2.645 56 G HA2 0.048 4.008 3.960 -0.001 0.000 0.239 56 G HA3 0.048 4.008 3.960 -0.001 0.000 0.239 56 G C -0.757 174.456 174.900 0.521 0.000 1.331 56 G CA -0.404 45.068 45.100 0.621 0.000 0.890 56 G HN 0.921 nan 8.290 nan 0.000 0.572 57 A N -0.468 122.677 122.820 0.541 0.000 2.610 57 A HA 0.917 5.236 4.320 -0.001 0.000 0.291 57 A C -2.731 175.084 177.584 0.385 0.000 1.086 57 A CA 0.015 52.276 52.037 0.373 0.000 0.677 57 A CB 1.648 20.808 19.000 0.267 0.000 1.278 57 A HN 1.138 nan 8.150 nan 0.000 0.414 58 P HA 0.486 nan 4.420 nan 0.000 0.274 58 P C -0.838 176.606 177.300 0.240 0.000 1.246 58 P CA -0.112 63.121 63.100 0.222 0.000 0.795 58 P CB 0.656 32.399 31.700 0.071 0.000 1.006 59 L N 0.324 121.704 121.223 0.262 0.000 2.334 59 L HA 0.539 4.879 4.340 -0.001 0.000 0.272 59 L C -0.171 176.807 176.870 0.179 0.000 1.020 59 L CA -1.193 53.837 54.840 0.317 0.000 0.812 59 L CB 2.014 44.238 42.059 0.274 0.000 1.264 59 L HN 0.077 nan 8.230 nan 0.000 0.439 60 V N 3.993 123.992 119.914 0.142 0.000 2.443 60 V HA 0.434 4.554 4.120 -0.001 0.000 0.293 60 V C -0.482 175.612 176.094 -0.000 0.000 1.021 60 V CA -0.395 61.884 62.300 -0.035 0.000 0.848 60 V CB 2.050 33.746 31.823 -0.211 0.000 0.998 60 V HN 0.395 nan 8.190 nan 0.000 0.424 61 I N 4.451 125.017 120.570 -0.007 0.000 2.410 61 I HA 0.651 4.821 4.170 -0.001 0.000 0.286 61 I C 0.967 177.070 176.117 -0.024 0.000 1.009 61 I CA 0.360 61.602 61.300 -0.098 0.000 1.111 61 I CB 0.692 38.561 38.000 -0.219 0.000 1.262 61 I HN 0.820 nan 8.210 nan 0.000 0.443 62 G N 6.935 115.729 108.800 -0.010 0.000 2.591 62 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.298 62 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.298 62 G C 0.324 175.248 174.900 0.041 0.000 1.195 62 G CA 0.725 45.846 45.100 0.035 0.000 0.989 62 G HN 0.732 nan 8.290 nan 0.000 0.551 63 D N 0.552 120.971 120.400 0.031 0.000 2.427 63 D HA 0.351 4.990 4.640 -0.001 0.000 0.224 63 D C 0.926 177.105 176.300 -0.202 0.000 1.157 63 D CA 0.092 54.087 54.000 -0.008 0.000 0.828 63 D CB -0.133 40.736 40.800 0.116 0.000 0.974 63 D HN 0.554 nan 8.370 nan 0.000 0.498 64 M N 0.539 120.013 119.600 -0.209 0.000 2.456 64 M HA 0.410 4.890 4.480 -0.001 0.000 0.324 64 M C -0.613 175.364 176.300 -0.539 0.000 1.124 64 M CA -0.711 54.350 55.300 -0.397 0.000 0.959 64 M CB 3.127 35.525 32.600 -0.337 0.000 1.692 64 M HN -0.068 nan 8.290 nan 0.000 0.444 65 M N 2.128 121.291 119.600 -0.728 0.000 2.456 65 M HA 0.523 5.003 4.480 -0.001 0.000 0.324 65 M C -2.075 173.717 176.300 -0.847 0.000 1.124 65 M CA -0.497 54.433 55.300 -0.617 0.000 0.959 65 M CB 1.801 34.124 32.600 -0.462 0.000 1.692 65 M HN 0.626 nan 8.290 nan 0.000 0.444 66 Y N 3.182 123.378 120.300 -0.174 0.000 2.326 66 Y HA 0.562 5.112 4.550 -0.001 0.000 0.331 66 Y C -0.618 175.262 175.900 -0.034 0.000 0.962 66 Y CA -0.824 57.185 58.100 -0.151 0.000 1.167 66 Y CB 1.624 40.037 38.460 -0.079 0.000 1.148 66 Y HN 0.330 nan 8.280 nan 0.000 0.463 67 V N 4.148 124.102 119.914 0.067 0.000 2.547 67 V HA 0.432 4.551 4.120 -0.001 0.000 0.299 67 V C -0.285 176.005 176.094 0.327 0.000 1.040 67 V CA -0.774 61.631 62.300 0.176 0.000 0.913 67 V CB 1.407 33.266 31.823 0.060 0.000 0.992 67 V HN 0.827 nan 8.190 nan 0.000 0.449 68 H N 1.506 120.716 119.070 0.233 0.000 2.690 68 H HA 0.772 5.327 4.556 -0.001 0.000 0.368 68 H C -0.542 174.921 175.328 0.224 0.000 1.150 68 H CA -0.526 55.648 56.048 0.209 0.000 1.174 68 H CB 1.972 31.826 29.762 0.153 0.000 1.684 68 H HN 0.648 nan 8.280 nan 0.000 0.538 69 S N 1.785 117.529 115.700 0.074 0.000 2.768 69 S HA 0.814 5.283 4.470 -0.001 0.000 0.300 69 S C 0.316 174.785 174.600 -0.219 0.000 1.122 69 S CA -0.384 57.759 58.200 -0.094 0.000 0.995 69 S CB 1.464 64.764 63.200 0.167 0.000 1.195 69 S HN 1.046 nan 8.310 nan 0.000 0.547 70 A N 0.305 122.835 122.820 -0.482 0.000 2.251 70 A HA 0.564 4.883 4.320 -0.001 0.000 0.278 70 A C 0.003 177.609 177.584 0.037 0.000 1.206 70 A CA -0.650 51.277 52.037 -0.183 0.000 0.822 70 A CB -0.544 18.343 19.000 -0.188 0.000 1.187 70 A HN 0.944 nan 8.150 nan 0.000 0.504 71 F N 0.910 120.861 119.950 0.001 0.000 2.642 71 F HA 0.179 4.705 4.527 -0.001 0.000 0.371 71 F C -1.109 174.707 175.800 0.026 0.000 1.120 71 F CA -0.929 57.086 58.000 0.025 0.000 1.331 71 F CB 0.650 39.675 39.000 0.041 0.000 1.044 71 F HN 0.311 nan 8.300 nan 0.000 0.594 72 P HA -0.023 nan 4.420 nan 0.000 0.269 72 P C -1.092 175.933 177.300 -0.458 0.000 1.461 72 P CA 0.358 62.773 63.100 -1.141 0.000 0.809 72 P CB -0.633 30.518 31.700 -0.914 0.000 1.503 73 N N -0.650 117.942 118.700 -0.180 0.000 2.708 73 N HA -0.140 4.599 4.740 -0.001 0.000 0.255 73 N C -0.555 174.929 175.510 -0.043 0.000 1.046 73 N CA 0.382 53.413 53.050 -0.031 0.000 0.715 73 N CB -1.834 36.663 38.487 0.016 0.000 0.895 73 N HN 0.307 nan 8.380 nan 0.000 0.545 74 N N 0.442 119.105 118.700 -0.061 0.000 2.530 74 N HA 0.358 5.098 4.740 -0.001 0.000 0.277 74 N C -0.065 175.333 175.510 -0.188 0.000 1.168 74 N CA 0.187 53.127 53.050 -0.183 0.000 0.979 74 N CB 0.891 39.230 38.487 -0.246 0.000 1.141 74 N HN 0.154 nan 8.380 nan 0.000 0.459 75 T N 1.657 116.031 114.554 -0.300 0.000 2.824 75 T HA 0.475 4.824 4.350 -0.001 0.000 0.282 75 T C -0.916 173.484 174.700 -0.499 0.000 0.993 75 T CA -0.378 61.617 62.100 -0.176 0.000 0.967 75 T CB 0.389 69.315 68.868 0.098 0.000 0.960 75 T HN 0.237 nan 8.240 nan 0.000 0.441 76 Y N 0.921 121.168 120.300 -0.088 0.000 2.361 76 Y HA 0.626 5.176 4.550 -0.001 0.000 0.337 76 Y C 0.107 175.679 175.900 -0.547 0.000 0.965 76 Y CA -1.189 56.761 58.100 -0.251 0.000 1.091 76 Y CB 1.636 40.034 38.460 -0.104 0.000 1.182 76 Y HN 0.789 nan 8.280 nan 0.000 0.450 77 A N 5.096 127.482 122.820 -0.724 0.000 2.288 77 A HA 0.876 5.195 4.320 -0.001 0.000 0.320 77 A C -1.145 176.021 177.584 -0.696 0.000 1.217 77 A CA -0.570 50.880 52.037 -0.979 0.000 0.840 77 A CB 0.418 18.418 19.000 -1.667 0.000 1.179 77 A HN 0.795 nan 8.150 nan 0.000 0.504 78 L N 2.300 123.099 121.223 -0.706 0.000 2.381 78 L HA 0.472 4.812 4.340 -0.001 0.000 0.268 78 L C -0.092 176.455 176.870 -0.538 0.000 0.997 78 L CA -0.953 53.547 54.840 -0.567 0.000 0.818 78 L CB 1.996 43.683 42.059 -0.619 0.000 1.310 78 L HN 0.731 nan 8.230 nan 0.000 0.416 79 N N 2.110 120.555 118.700 -0.425 0.000 2.426 79 N HA 0.271 5.010 4.740 -0.001 0.000 0.275 79 N C 0.697 175.912 175.510 -0.491 0.000 1.019 79 N CA -0.289 52.536 53.050 -0.376 0.000 0.941 79 N CB 1.777 40.125 38.487 -0.231 0.000 1.123 79 N HN 0.657 nan 8.380 nan 0.000 0.486 80 L N 3.278 124.125 121.223 -0.627 0.000 2.349 80 L HA -0.168 4.171 4.340 -0.001 0.000 0.220 80 L C 1.248 177.613 176.870 -0.842 0.000 1.130 80 L CA 0.927 55.200 54.840 -0.945 0.000 0.791 80 L CB -0.306 40.867 42.059 -1.477 0.000 0.918 80 L HN 0.561 nan 8.230 nan 0.000 0.444 81 N N -0.740 117.712 118.700 -0.413 0.000 2.459 81 N HA -0.106 4.634 4.740 -0.001 0.000 0.181 81 N C 0.127 175.543 175.510 -0.157 0.000 1.046 81 N CA 0.736 53.751 53.050 -0.059 0.000 0.904 81 N CB 0.149 38.675 38.487 0.064 0.000 0.964 81 N HN 0.143 nan 8.380 nan 0.000 0.444 82 D N -1.626 118.599 120.400 -0.292 0.000 2.527 82 D HA 0.193 4.833 4.640 -0.001 0.000 0.242 82 D C -2.373 173.673 176.300 -0.423 0.000 1.285 82 D CA -1.719 52.106 54.000 -0.290 0.000 0.886 82 D CB 0.873 41.564 40.800 -0.181 0.000 1.402 82 D HN -0.154 nan 8.370 nan 0.000 0.528 83 P HA 0.046 nan 4.420 nan 0.000 0.226 83 P C 1.324 178.341 177.300 -0.473 0.000 1.146 83 P CA 0.749 63.327 63.100 -0.871 0.000 0.773 83 P CB 0.371 31.066 31.700 -1.675 0.000 0.772 84 G N -1.284 107.332 108.800 -0.308 0.000 2.650 84 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.214 84 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.214 84 G C 0.583 175.419 174.900 -0.107 0.000 1.136 84 G CA 0.187 45.195 45.100 -0.152 0.000 0.789 84 G HN 0.185 nan 8.290 nan 0.000 0.536 85 K N 0.868 121.177 120.400 -0.151 0.000 2.307 85 K HA 0.488 4.807 4.320 -0.001 0.000 0.263 85 K C -0.527 176.001 176.600 -0.121 0.000 0.973 85 K CA -0.813 55.412 56.287 -0.103 0.000 0.846 85 K CB 0.786 33.227 32.500 -0.097 0.000 1.100 85 K HN -0.034 nan 8.250 nan 0.000 0.438 86 I N 6.408 126.950 120.570 -0.047 0.000 2.294 86 I HA 0.020 4.189 4.170 -0.001 0.000 0.295 86 I C 1.197 177.297 176.117 -0.028 0.000 1.098 86 I CA -0.475 60.800 61.300 -0.042 0.000 1.277 86 I CB 0.943 39.001 38.000 0.098 0.000 1.434 86 I HN 0.478 nan 8.210 nan 0.000 0.498 87 V N 6.947 126.801 119.914 -0.099 0.000 2.287 87 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 87 V C 0.581 176.783 176.094 0.179 0.000 1.053 87 V CA 1.561 63.862 62.300 0.001 0.000 1.027 87 V CB -0.522 31.278 31.823 -0.038 0.000 0.646 87 V HN 0.850 nan 8.190 nan 0.000 0.447 88 W N 0.037 121.351 121.300 0.024 0.000 3.146 88 W HA 0.648 5.308 4.660 -0.001 0.000 0.319 88 W C -1.631 174.929 176.519 0.068 0.000 1.258 88 W CA -1.024 56.349 57.345 0.046 0.000 1.189 88 W CB 1.191 30.676 29.460 0.041 0.000 1.412 88 W HN 0.238 nan 8.180 nan 0.000 0.567 89 Q N 1.362 121.454 119.800 0.486 0.000 2.377 89 Q HA 0.440 4.780 4.340 -0.001 0.000 0.279 89 Q C -2.143 174.061 176.000 0.340 0.000 1.049 89 Q CA -0.939 55.017 55.803 0.256 0.000 0.825 89 Q CB 3.283 32.088 28.738 0.112 0.000 1.401 89 Q HN 0.559 nan 8.270 nan 0.000 0.404 90 H N 1.046 120.183 119.070 0.111 0.000 2.646 90 H HA 0.435 4.990 4.556 -0.001 0.000 0.328 90 H C -1.470 173.811 175.328 -0.078 0.000 0.998 90 H CA -0.481 55.605 56.048 0.063 0.000 1.225 90 H CB 1.337 31.178 29.762 0.132 0.000 1.457 90 H HN 0.513 nan 8.280 nan 0.000 0.505 91 K N 6.996 127.114 120.400 -0.470 0.000 2.473 91 K HA 0.281 4.601 4.320 -0.001 0.000 0.246 91 K C -2.632 173.671 176.600 -0.494 0.000 1.011 91 K CA -1.900 54.149 56.287 -0.397 0.000 0.984 91 K CB 1.346 33.725 32.500 -0.202 0.000 1.250 91 K HN 0.516 nan 8.250 nan 0.000 0.454 92 P HA -0.016 nan 4.420 nan 0.000 0.267 92 P C -0.924 176.225 177.300 -0.252 0.000 1.200 92 P CA -0.060 62.825 63.100 -0.358 0.000 0.772 92 P CB 0.568 32.122 31.700 -0.243 0.000 0.855 93 K N 2.972 123.268 120.400 -0.172 0.000 2.316 93 K HA 0.318 4.638 4.320 -0.001 0.000 0.267 93 K C -0.185 176.354 176.600 -0.102 0.000 1.025 93 K CA -0.407 55.809 56.287 -0.118 0.000 0.896 93 K CB 1.063 33.522 32.500 -0.068 0.000 1.124 93 K HN 0.457 nan 8.250 nan 0.000 0.451 94 Q N 1.492 121.241 119.800 -0.086 0.000 2.397 94 Q HA 0.249 4.589 4.340 -0.001 0.000 0.275 94 Q C -1.134 174.937 176.000 0.118 0.000 1.090 94 Q CA -1.147 54.659 55.803 0.004 0.000 0.809 94 Q CB 2.294 31.064 28.738 0.053 0.000 1.362 94 Q HN 0.441 nan 8.270 nan 0.000 0.431 95 D N 1.041 121.510 120.400 0.114 0.000 2.424 95 D HA 0.056 4.695 4.640 -0.001 0.000 0.244 95 D C 0.670 177.072 176.300 0.171 0.000 1.134 95 D CA 0.209 54.274 54.000 0.109 0.000 0.881 95 D CB 1.473 42.308 40.800 0.059 0.000 1.191 95 D HN 0.746 nan 8.370 nan 0.000 0.445 96 A N 2.460 125.366 122.820 0.144 0.000 2.024 96 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 96 A C 2.076 179.655 177.584 -0.007 0.000 1.164 96 A CA 1.820 53.931 52.037 0.124 0.000 0.643 96 A CB -0.466 18.594 19.000 0.101 0.000 0.806 96 A HN 0.590 nan 8.150 nan 0.000 0.451 97 S N -0.808 114.890 115.700 -0.002 0.000 2.469 97 S HA -0.143 4.327 4.470 -0.001 0.000 0.238 97 S C 1.638 176.187 174.600 -0.085 0.000 0.998 97 S CA 1.696 59.874 58.200 -0.037 0.000 0.957 97 S CB -1.143 62.046 63.200 -0.017 0.000 0.764 97 S HN 0.520 nan 8.310 nan 0.000 0.514 98 T N 2.620 117.109 114.554 -0.109 0.000 2.759 98 T HA -0.089 4.260 4.350 -0.001 0.000 0.269 98 T C 1.659 176.195 174.700 -0.274 0.000 1.042 98 T CA 1.624 63.628 62.100 -0.160 0.000 1.140 98 T CB -0.299 68.499 68.868 -0.117 0.000 0.864 98 T HN 0.588 nan 8.240 nan 0.000 0.455 99 K N 1.233 121.385 120.400 -0.414 0.000 2.209 99 K HA 0.079 4.398 4.320 -0.001 0.000 0.204 99 K C 2.583 179.090 176.600 -0.155 0.000 1.048 99 K CA 1.010 57.088 56.287 -0.349 0.000 0.940 99 K CB -0.226 32.069 32.500 -0.342 0.000 0.729 99 K HN 0.300 nan 8.250 nan 0.000 0.451 100 A N 1.280 124.034 122.820 -0.109 0.000 2.070 100 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 100 A C 1.988 179.588 177.584 0.027 0.000 1.159 100 A CA 1.416 53.432 52.037 -0.035 0.000 0.656 100 A CB -0.345 18.639 19.000 -0.027 0.000 0.800 100 A HN 0.198 nan 8.150 nan 0.000 0.453 101 V N -4.022 115.850 119.914 -0.070 0.000 3.271 101 V HA 0.408 4.527 4.120 -0.001 0.000 0.327 101 V C 0.375 176.391 176.094 -0.130 0.000 1.389 101 V CA -0.186 62.003 62.300 -0.184 0.000 1.156 101 V CB -0.840 30.848 31.823 -0.226 0.000 1.103 101 V HN 0.384 nan 8.190 nan 0.000 0.453 102 M N 1.335 120.921 119.600 -0.023 0.000 2.080 102 M HA 0.267 4.746 4.480 -0.001 0.000 0.350 102 M C 1.460 177.798 176.300 0.063 0.000 1.173 102 M CA -0.373 54.916 55.300 -0.018 0.000 1.052 102 M CB 1.451 34.022 32.600 -0.048 0.000 1.577 102 M HN 0.578 nan 8.290 nan 0.000 0.455 103 C N 1.182 120.519 119.300 0.062 0.000 2.429 103 C HA -0.043 4.417 4.460 -0.001 0.000 0.277 103 C C 1.063 175.954 174.990 -0.166 0.000 1.262 103 C CA 0.226 59.267 59.018 0.038 0.000 1.733 103 C CB -0.739 26.983 27.740 -0.029 0.000 2.010 103 C HN 0.865 nan 8.230 nan 0.000 0.483 104 C N 2.116 121.332 119.300 -0.141 0.000 3.163 104 C HA 0.586 5.046 4.460 -0.001 0.000 0.228 104 C C -0.529 174.510 174.990 0.082 0.000 1.593 104 C CA -0.473 58.478 59.018 -0.111 0.000 1.489 104 C CB -2.252 25.368 27.740 -0.200 0.000 2.294 104 C HN 0.823 nan 8.230 nan 0.000 0.508 105 D N 0.301 120.798 120.400 0.161 0.000 10.746 105 D HA -0.175 4.464 4.640 -0.001 0.000 0.347 105 D C 0.166 176.585 176.300 0.197 0.000 3.135 105 D CA 1.010 55.202 54.000 0.320 0.000 2.657 105 D CB 0.174 41.140 40.800 0.277 0.000 1.219 105 D HN 0.756 nan 8.370 nan 0.000 0.943 106 V N 0.367 120.406 119.914 0.208 0.000 2.800 106 V HA 0.443 4.562 4.120 -0.001 0.000 0.365 106 V C 1.014 177.211 176.094 0.171 0.000 1.527 106 V CA 0.113 62.500 62.300 0.146 0.000 1.623 106 V CB -0.616 31.280 31.823 0.122 0.000 1.407 106 V HN 0.629 nan 8.190 nan 0.000 0.527 107 V N -0.957 119.055 119.914 0.163 0.000 3.083 107 V HA 0.680 4.799 4.120 -0.001 0.000 0.306 107 V C -0.148 176.060 176.094 0.190 0.000 1.077 107 V CA -0.283 62.123 62.300 0.176 0.000 1.073 107 V CB 1.693 33.651 31.823 0.224 0.000 1.081 107 V HN 0.605 nan 8.190 nan 0.000 0.474 108 D N 1.295 121.829 120.400 0.223 0.000 2.736 108 D HA 0.356 4.995 4.640 -0.001 0.000 0.243 108 D C 0.448 176.961 176.300 0.354 0.000 1.304 108 D CA -0.608 53.546 54.000 0.257 0.000 0.934 108 D CB 1.981 42.954 40.800 0.289 0.000 1.382 108 D HN 0.615 nan 8.370 nan 0.000 0.571 109 R N 1.889 122.536 120.500 0.244 0.000 2.319 109 R HA 0.405 4.744 4.340 -0.001 0.000 0.204 109 R C 0.969 177.397 176.300 0.213 0.000 0.954 109 R CA 0.287 56.568 56.100 0.301 0.000 1.066 109 R CB 0.258 30.626 30.300 0.112 0.000 0.991 109 R HN 0.576 nan 8.270 nan 0.000 0.486 110 G N 0.287 108.959 108.800 -0.214 0.000 2.381 110 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.672 110 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.672 110 G C -1.016 173.735 174.900 -0.249 0.000 1.324 110 G CA -1.117 43.646 45.100 -0.561 0.000 0.975 110 G HN 0.014 nan 8.290 nan 0.000 0.593 111 L N 0.121 121.250 121.223 -0.157 0.000 2.400 111 L HA 0.874 5.214 4.340 -0.001 0.000 0.264 111 L C 0.984 177.885 176.870 0.052 0.000 1.061 111 L CA -0.366 54.461 54.840 -0.022 0.000 0.799 111 L CB 1.487 43.559 42.059 0.022 0.000 1.240 111 L HN 1.287 nan 8.230 nan 0.000 0.461 112 A N 0.141 122.976 122.820 0.024 0.000 2.486 112 A HA 0.776 5.095 4.320 -0.001 0.000 0.289 112 A C -1.973 175.631 177.584 0.034 0.000 1.176 112 A CA -0.384 51.669 52.037 0.027 0.000 0.757 112 A CB 1.692 20.685 19.000 -0.013 0.000 1.337 112 A HN 0.597 nan 8.150 nan 0.000 0.423 113 Y N -0.835 119.389 120.300 -0.128 0.000 2.513 113 Y HA 0.600 5.150 4.550 -0.001 0.000 0.340 113 Y C -0.201 175.627 175.900 -0.120 0.000 1.055 113 Y CA 0.164 58.181 58.100 -0.140 0.000 1.020 113 Y CB 2.079 40.459 38.460 -0.133 0.000 1.301 113 Y HN 1.410 nan 8.280 nan 0.000 0.453 114 G N 2.340 110.670 108.800 -0.783 0.000 2.633 114 G HA2 0.573 4.532 3.960 -0.001 0.000 0.299 114 G HA3 0.573 4.532 3.960 -0.001 0.000 0.299 114 G C -0.510 174.068 174.900 -0.536 0.000 1.501 114 G CA -0.302 44.500 45.100 -0.497 0.000 0.887 114 G HN 1.625 nan 8.290 nan 0.000 0.561 115 A N -0.245 122.378 122.820 -0.328 0.000 2.687 115 A HA 0.340 4.659 4.320 -0.001 0.000 0.299 115 A C 2.282 179.702 177.584 -0.273 0.000 1.497 115 A CA 2.085 53.996 52.037 -0.211 0.000 0.751 115 A CB -1.337 17.587 19.000 -0.128 0.000 1.048 115 A HN 3.123 nan 8.150 nan 0.000 0.464 116 G N -2.031 106.543 108.800 -0.376 0.000 2.203 116 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.263 116 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.263 116 G C -0.071 174.643 174.900 -0.308 0.000 1.012 116 G CA 1.218 46.187 45.100 -0.218 0.000 0.749 116 G HN 1.515 nan 8.290 nan 0.000 0.512 117 Q N -0.912 118.531 119.800 -0.596 0.000 2.394 117 Q HA 0.657 4.997 4.340 -0.001 0.000 0.273 117 Q C -0.234 175.496 176.000 -0.450 0.000 1.089 117 Q CA -1.162 54.383 55.803 -0.430 0.000 0.812 117 Q CB 2.028 30.536 28.738 -0.382 0.000 1.353 117 Q HN 0.149 nan 8.270 nan 0.000 0.438 118 I N 2.385 122.791 120.570 -0.274 0.000 2.325 118 I HA 0.198 4.368 4.170 -0.001 0.000 0.291 118 I C -0.402 175.568 176.117 -0.245 0.000 1.019 118 I CA -0.396 60.785 61.300 -0.199 0.000 1.302 118 I CB 1.288 39.212 38.000 -0.127 0.000 1.401 118 I HN 0.384 nan 8.210 nan 0.000 0.485 119 V N 8.330 128.117 119.914 -0.211 0.000 2.364 119 V HA 0.349 4.469 4.120 -0.001 0.000 0.272 119 V C 0.200 176.199 176.094 -0.159 0.000 1.036 119 V CA -0.609 61.545 62.300 -0.244 0.000 0.880 119 V CB 1.067 32.781 31.823 -0.182 0.000 0.991 119 V HN 0.785 nan 8.190 nan 0.000 0.460 120 K N 4.324 124.611 120.400 -0.188 0.000 2.435 120 K HA 0.893 5.213 4.320 -0.001 0.000 0.251 120 K C -1.031 175.519 176.600 -0.083 0.000 0.954 120 K CA -1.190 55.040 56.287 -0.095 0.000 0.820 120 K CB 2.639 35.110 32.500 -0.048 0.000 1.292 120 K HN 0.441 nan 8.250 nan 0.000 0.436 121 K N 0.573 120.964 120.400 -0.016 0.000 2.331 121 K HA 0.416 4.736 4.320 -0.001 0.000 0.238 121 K C -0.940 175.692 176.600 0.054 0.000 1.058 121 K CA -0.747 55.549 56.287 0.015 0.000 0.871 121 K CB 1.257 33.774 32.500 0.030 0.000 1.292 121 K HN 0.646 nan 8.250 nan 0.000 0.470 122 Q N -0.672 119.172 119.800 0.072 0.000 2.397 122 Q HA 0.555 4.895 4.340 -0.001 0.000 0.275 122 Q C 0.195 176.260 176.000 0.108 0.000 1.090 122 Q CA -0.841 55.005 55.803 0.072 0.000 0.809 122 Q CB 2.137 30.880 28.738 0.009 0.000 1.362 122 Q HN 0.764 nan 8.270 nan 0.000 0.431 123 A N 1.937 124.864 122.820 0.177 0.000 1.986 123 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 123 A C 1.432 179.095 177.584 0.131 0.000 1.171 123 A CA 2.140 54.292 52.037 0.192 0.000 0.640 123 A CB -0.633 18.559 19.000 0.321 0.000 0.811 123 A HN 0.851 nan 8.150 nan 0.000 0.451 124 N N -0.699 118.074 118.700 0.121 0.000 2.575 124 N HA 0.183 4.922 4.740 -0.001 0.000 0.192 124 N C 0.984 176.551 175.510 0.095 0.000 1.200 124 N CA 1.404 54.491 53.050 0.063 0.000 0.897 124 N CB -0.506 37.972 38.487 -0.013 0.000 0.990 124 N HN 0.882 nan 8.380 nan 0.000 0.449 125 G N -1.118 107.755 108.800 0.123 0.000 2.195 125 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.224 125 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.224 125 G C -0.346 174.691 174.900 0.228 0.000 0.990 125 G CA -0.067 45.131 45.100 0.165 0.000 0.639 125 G HN 0.646 nan 8.290 nan 0.000 0.514 126 H N -0.556 118.526 119.070 0.020 0.000 2.582 126 H HA 0.527 5.083 4.556 -0.001 0.000 0.345 126 H C -0.439 174.865 175.328 -0.040 0.000 1.104 126 H CA -0.337 55.707 56.048 -0.007 0.000 1.390 126 H CB 2.026 31.794 29.762 0.010 0.000 1.461 126 H HN 0.213 nan 8.280 nan 0.000 0.551 127 L N 3.879 125.116 121.223 0.023 0.000 2.362 127 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 127 L C -1.712 175.099 176.870 -0.099 0.000 0.998 127 L CA -0.506 54.297 54.840 -0.062 0.000 0.820 127 L CB 1.180 43.135 42.059 -0.172 0.000 1.270 127 L HN 0.400 nan 8.230 nan 0.000 0.415 128 L N 4.347 125.383 121.223 -0.312 0.000 2.350 128 L HA 0.952 5.292 4.340 -0.001 0.000 0.260 128 L C -0.502 175.761 176.870 -1.013 0.000 1.015 128 L CA -0.540 53.935 54.840 -0.608 0.000 0.821 128 L CB 2.027 43.845 42.059 -0.401 0.000 1.370 128 L HN 0.694 nan 8.230 nan 0.000 0.416 129 A N 2.004 123.981 122.820 -1.404 0.000 2.311 129 A HA 0.862 5.182 4.320 -0.001 0.000 0.306 129 A C -1.383 175.737 177.584 -0.773 0.000 1.189 129 A CA -0.306 51.004 52.037 -1.212 0.000 0.791 129 A CB 0.555 18.492 19.000 -1.771 0.000 1.172 129 A HN 0.461 nan 8.150 nan 0.000 0.481 130 L N 1.561 122.454 121.223 -0.550 0.000 2.346 130 L HA 0.416 4.755 4.340 -0.001 0.000 0.274 130 L C 0.095 176.718 176.870 -0.411 0.000 1.007 130 L CA -0.316 54.229 54.840 -0.490 0.000 0.818 130 L CB 1.780 43.536 42.059 -0.505 0.000 1.284 130 L HN 0.805 nan 8.230 nan 0.000 0.424 131 D N 1.348 121.504 120.400 -0.408 0.000 2.493 131 D HA 0.199 4.839 4.640 -0.001 0.000 0.240 131 D C 1.014 177.172 176.300 -0.236 0.000 1.142 131 D CA 0.615 54.439 54.000 -0.292 0.000 0.872 131 D CB 1.292 41.933 40.800 -0.266 0.000 1.173 131 D HN 0.680 nan 8.370 nan 0.000 0.467 132 A N 4.235 127.034 122.820 -0.035 0.000 2.019 132 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 132 A C 1.814 179.694 177.584 0.493 0.000 1.164 132 A CA 1.209 53.382 52.037 0.227 0.000 0.644 132 A CB -0.164 18.994 19.000 0.264 0.000 0.805 132 A HN 0.670 nan 8.150 nan 0.000 0.449 133 K N -1.289 119.251 120.400 0.234 0.000 2.242 133 K HA -0.009 4.310 4.320 -0.001 0.000 0.200 133 K C 1.922 178.605 176.600 0.138 0.000 1.050 133 K CA 1.411 57.855 56.287 0.262 0.000 0.981 133 K CB 0.081 32.662 32.500 0.135 0.000 0.795 133 K HN 0.636 nan 8.250 nan 0.000 0.477 134 T N -3.834 110.591 114.554 -0.216 0.000 2.990 134 T HA 0.209 4.559 4.350 -0.001 0.000 0.249 134 T C 1.473 175.574 174.700 -1.000 0.000 1.039 134 T CA 0.573 62.438 62.100 -0.391 0.000 1.036 134 T CB 0.787 69.510 68.868 -0.241 0.000 0.994 134 T HN 0.269 nan 8.240 nan 0.000 0.489 135 G N 1.861 109.721 108.800 -1.566 0.000 2.176 135 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.253 135 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.253 135 G C 0.009 174.371 174.900 -0.897 0.000 0.979 135 G CA 0.292 44.163 45.100 -2.048 0.000 0.641 135 G HN 0.880 nan 8.290 nan 0.000 0.530 136 K N 0.893 120.943 120.400 -0.585 0.000 2.484 136 K HA 0.343 4.663 4.320 -0.001 0.000 0.280 136 K C 0.683 177.064 176.600 -0.365 0.000 1.013 136 K CA -0.411 55.659 56.287 -0.361 0.000 1.029 136 K CB 0.031 32.380 32.500 -0.253 0.000 0.902 136 K HN 0.288 nan 8.250 nan 0.000 0.481 137 I N 5.433 125.824 120.570 -0.299 0.000 2.436 137 I HA -0.068 4.102 4.170 -0.001 0.000 0.289 137 I C 0.948 176.926 176.117 -0.231 0.000 1.083 137 I CA -0.386 60.729 61.300 -0.309 0.000 1.372 137 I CB 0.691 38.546 38.000 -0.242 0.000 1.408 137 I HN 0.705 nan 8.210 nan 0.000 0.516 138 N N 6.851 125.382 118.700 -0.282 0.000 2.336 138 N HA 0.050 4.789 4.740 -0.001 0.000 0.177 138 N C -0.409 175.116 175.510 0.026 0.000 1.018 138 N CA 0.752 53.716 53.050 -0.145 0.000 0.878 138 N CB 0.350 38.744 38.487 -0.156 0.000 0.997 138 N HN 0.689 nan 8.380 nan 0.000 0.433 139 W N -0.354 120.858 121.300 -0.146 0.000 3.248 139 W HA 0.563 5.222 4.660 -0.001 0.000 0.311 139 W C -1.513 174.913 176.519 -0.155 0.000 1.258 139 W CA -0.603 56.660 57.345 -0.138 0.000 1.191 139 W CB 0.823 30.202 29.460 -0.134 0.000 1.389 139 W HN -0.243 nan 8.180 nan 0.000 0.561 140 E N 2.107 122.456 120.200 0.248 0.000 2.294 140 E HA 0.468 4.817 4.350 -0.001 0.000 0.272 140 E C -1.634 174.998 176.600 0.054 0.000 0.896 140 E CA -0.538 55.924 56.400 0.104 0.000 0.802 140 E CB 2.436 32.141 29.700 0.008 0.000 1.267 140 E HN 0.560 nan 8.360 nan 0.000 0.406 141 V N 0.446 120.374 119.914 0.023 0.000 3.074 141 V HA 0.626 4.746 4.120 -0.001 0.000 0.314 141 V C -0.462 175.503 176.094 -0.214 0.000 1.117 141 V CA -0.966 61.259 62.300 -0.125 0.000 1.014 141 V CB 1.873 33.600 31.823 -0.160 0.000 1.057 141 V HN 0.655 nan 8.190 nan 0.000 0.438 142 E N 0.828 120.910 120.200 -0.195 0.000 2.259 142 E HA 0.521 4.870 4.350 -0.001 0.000 0.281 142 E C -0.141 176.443 176.600 -0.026 0.000 1.027 142 E CA -0.438 55.886 56.400 -0.126 0.000 0.838 142 E CB 2.102 31.749 29.700 -0.088 0.000 1.066 142 E HN 0.587 nan 8.360 nan 0.000 0.401 143 V N 1.397 121.325 119.914 0.023 0.000 3.219 143 V HA 0.082 4.201 4.120 -0.001 0.000 0.240 143 V C 0.127 176.290 176.094 0.116 0.000 1.222 143 V CA 0.248 62.609 62.300 0.101 0.000 1.181 143 V CB 0.732 32.591 31.823 0.060 0.000 0.941 143 V HN 0.720 nan 8.190 nan 0.000 0.471 144 c N 0.240 118.900 118.600 0.101 0.000 2.898 144 c HA 0.679 5.248 4.570 -0.001 0.000 0.304 144 c C -0.911 173.233 174.090 0.089 0.000 1.237 144 c CA -0.823 55.563 56.329 0.096 0.000 1.529 144 c CB 1.729 44.294 42.510 0.093 0.000 2.021 144 c HN 0.445 nan 8.230 nan 0.000 0.474 145 D N 1.220 121.662 120.400 0.072 0.000 2.441 145 D HA 0.398 5.038 4.640 -0.001 0.000 0.231 145 D C -1.813 174.506 176.300 0.031 0.000 1.073 145 D CA -2.002 52.032 54.000 0.056 0.000 0.850 145 D CB 1.508 42.337 40.800 0.048 0.000 1.062 145 D HN 0.132 nan 8.370 nan 0.000 0.524 146 P HA -0.112 nan 4.420 nan 0.000 0.219 146 P C 0.785 178.064 177.300 -0.035 0.000 1.146 146 P CA 1.088 64.182 63.100 -0.011 0.000 0.808 146 P CB 0.272 31.969 31.700 -0.005 0.000 0.779 147 K N -0.485 119.903 120.400 -0.019 0.000 2.280 147 K HA -0.049 4.270 4.320 -0.001 0.000 0.202 147 K C 1.358 177.926 176.600 -0.052 0.000 1.047 147 K CA 1.363 57.629 56.287 -0.034 0.000 0.942 147 K CB -0.329 32.160 32.500 -0.018 0.000 0.739 147 K HN 0.203 nan 8.250 nan 0.000 0.457 148 V N -3.908 115.984 119.914 -0.037 0.000 3.319 148 V HA 0.436 4.556 4.120 -0.001 0.000 0.317 148 V C 0.761 176.825 176.094 -0.050 0.000 1.411 148 V CA 0.131 62.410 62.300 -0.036 0.000 1.112 148 V CB 0.049 31.879 31.823 0.011 0.000 1.031 148 V HN 0.318 nan 8.190 nan 0.000 0.448 149 G N 0.203 108.950 108.800 -0.089 0.000 2.141 149 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.242 149 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.242 149 G C 0.209 175.059 174.900 -0.083 0.000 0.982 149 G CA 0.347 45.361 45.100 -0.142 0.000 0.662 149 G HN 1.052 nan 8.290 nan 0.000 0.527 150 S N 0.644 116.330 115.700 -0.024 0.000 2.442 150 S HA 0.792 5.261 4.470 -0.001 0.000 0.297 150 S C 0.459 175.072 174.600 0.021 0.000 1.131 150 S CA 0.889 59.100 58.200 0.018 0.000 1.092 150 S CB 1.055 64.288 63.200 0.056 0.000 0.998 150 S HN 1.327 nan 8.310 nan 0.000 0.478 151 T N 2.414 116.984 114.554 0.027 0.000 2.804 151 T HA 0.681 5.031 4.350 -0.001 0.000 0.290 151 T C -0.915 173.826 174.700 0.069 0.000 1.099 151 T CA -0.930 61.193 62.100 0.039 0.000 1.011 151 T CB 0.764 69.637 68.868 0.008 0.000 1.291 151 T HN 0.470 nan 8.240 nan 0.000 0.523 152 L N 1.431 122.704 121.223 0.083 0.000 2.356 152 L HA 0.600 4.940 4.340 -0.001 0.000 0.277 152 L C 0.930 177.864 176.870 0.107 0.000 0.996 152 L CA -0.601 54.299 54.840 0.100 0.000 0.822 152 L CB 2.382 44.499 42.059 0.097 0.000 1.256 152 L HN 1.195 nan 8.230 nan 0.000 0.413 153 T N -2.300 112.325 114.554 0.118 0.000 3.105 153 T HA 0.051 4.401 4.350 -0.001 0.000 0.257 153 T C 0.430 175.200 174.700 0.117 0.000 0.949 153 T CA -0.338 61.839 62.100 0.128 0.000 0.959 153 T CB 0.109 69.052 68.868 0.126 0.000 1.205 153 T HN 0.537 nan 8.240 nan 0.000 0.496 154 Q N 1.863 121.727 119.800 0.106 0.000 2.492 154 Q HA 0.628 4.967 4.340 -0.001 0.000 0.238 154 Q C 0.017 176.019 176.000 0.003 0.000 1.045 154 Q CA -0.532 55.264 55.803 -0.011 0.000 0.934 154 Q CB 0.446 29.166 28.738 -0.031 0.000 1.276 154 Q HN 0.433 nan 8.270 nan 0.000 0.521 155 A N 2.250 125.034 122.820 -0.059 0.000 2.388 155 A HA 0.487 4.807 4.320 -0.001 0.000 0.257 155 A C -2.231 175.456 177.584 0.172 0.000 1.095 155 A CA -1.490 50.597 52.037 0.084 0.000 0.791 155 A CB -0.091 19.040 19.000 0.218 0.000 1.029 155 A HN 0.672 nan 8.150 nan 0.000 0.489 156 P HA 0.386 nan 4.420 nan 0.000 0.274 156 P C -0.965 176.437 177.300 0.171 0.000 1.246 156 P CA 0.015 63.184 63.100 0.115 0.000 0.795 156 P CB 0.361 32.080 31.700 0.032 0.000 1.006 157 F N 0.905 120.770 119.950 -0.141 0.000 2.536 157 F HA 0.435 4.962 4.527 -0.001 0.000 0.322 157 F C -1.236 174.428 175.800 -0.228 0.000 1.144 157 F CA -0.750 57.144 58.000 -0.178 0.000 0.924 157 F CB 1.212 39.944 39.000 -0.446 0.000 1.181 157 F HN -0.079 nan 8.300 nan 0.000 0.438 158 V N 5.260 124.870 119.914 -0.507 0.000 2.427 158 V HA 0.855 4.974 4.120 -0.001 0.000 0.286 158 V C -0.359 175.506 176.094 -0.380 0.000 1.034 158 V CA -0.487 61.609 62.300 -0.340 0.000 0.893 158 V CB 1.179 32.871 31.823 -0.217 0.000 0.982 158 V HN 0.926 nan 8.190 nan 0.000 0.452 159 A N 4.671 127.320 122.820 -0.285 0.000 2.429 159 A HA 0.724 5.043 4.320 -0.001 0.000 0.289 159 A C 0.026 177.442 177.584 -0.280 0.000 1.043 159 A CA -0.576 51.231 52.037 -0.383 0.000 0.722 159 A CB 1.078 19.618 19.000 -0.766 0.000 1.243 159 A HN 0.770 nan 8.150 nan 0.000 0.415 160 K N 0.444 120.745 120.400 -0.164 0.000 1.779 160 K HA -0.197 4.122 4.320 -0.001 0.000 0.128 160 K C -0.546 176.010 176.600 -0.073 0.000 1.288 160 K CA 1.865 58.108 56.287 -0.074 0.000 0.398 160 K CB -0.798 31.668 32.500 -0.056 0.000 0.609 160 K HN 0.760 nan 8.250 nan 0.000 0.874 161 D N 1.558 121.915 120.400 -0.071 0.000 2.491 161 D HA 0.155 4.795 4.640 -0.001 0.000 0.228 161 D C -0.480 175.758 176.300 -0.103 0.000 1.183 161 D CA 0.409 54.367 54.000 -0.071 0.000 0.827 161 D CB 0.459 41.227 40.800 -0.054 0.000 0.989 161 D HN 0.206 nan 8.370 nan 0.000 0.494 162 T N 0.058 114.528 114.554 -0.139 0.000 2.863 162 T HA 0.429 4.779 4.350 -0.001 0.000 0.285 162 T C -0.074 174.511 174.700 -0.191 0.000 1.009 162 T CA -0.527 61.458 62.100 -0.191 0.000 0.989 162 T CB 2.855 71.578 68.868 -0.242 0.000 1.004 162 T HN -0.293 nan 8.240 nan 0.000 0.455 163 V N 4.229 124.048 119.914 -0.158 0.000 2.384 163 V HA 0.442 4.561 4.120 -0.001 0.000 0.287 163 V C -0.318 175.675 176.094 -0.169 0.000 1.020 163 V CA -0.801 61.440 62.300 -0.097 0.000 0.850 163 V CB 1.215 33.082 31.823 0.074 0.000 0.987 163 V HN 0.701 nan 8.190 nan 0.000 0.436 164 L N 5.660 126.708 121.223 -0.291 0.000 2.289 164 L HA 0.713 5.052 4.340 -0.001 0.000 0.285 164 L C -0.331 176.418 176.870 -0.202 0.000 1.049 164 L CA -0.250 54.321 54.840 -0.448 0.000 0.804 164 L CB 1.464 42.961 42.059 -0.936 0.000 1.195 164 L HN 0.619 nan 8.230 nan 0.000 0.428 165 M N 2.587 122.161 119.600 -0.043 0.000 2.277 165 M HA 0.616 5.095 4.480 -0.001 0.000 0.282 165 M C -0.766 175.604 176.300 0.116 0.000 1.074 165 M CA -0.133 55.232 55.300 0.109 0.000 0.954 165 M CB 2.136 34.834 32.600 0.164 0.000 1.672 165 M HN 0.444 nan 8.290 nan 0.000 0.471 166 G N 3.139 112.028 108.800 0.148 0.000 2.461 166 G HA2 0.631 4.590 3.960 -0.001 0.000 0.323 166 G HA3 0.631 4.590 3.960 -0.001 0.000 0.323 166 G C -0.986 173.999 174.900 0.142 0.000 1.229 166 G CA -0.551 44.617 45.100 0.114 0.000 0.941 166 G HN 0.919 nan 8.290 nan 0.000 0.477 167 c N 0.662 119.343 118.600 0.135 0.000 2.534 167 c HA 0.694 5.264 4.570 -0.001 0.000 0.385 167 c C 1.039 175.239 174.090 0.182 0.000 1.264 167 c CA -0.329 56.085 56.329 0.142 0.000 2.342 167 c CB 0.853 43.436 42.510 0.123 0.000 2.564 167 c HN 0.673 nan 8.230 nan 0.000 0.603 168 S N -0.125 115.661 115.700 0.143 0.000 2.638 168 S HA 0.777 5.246 4.470 -0.001 0.000 0.298 168 S C 0.688 175.322 174.600 0.057 0.000 1.111 168 S CA 0.385 58.649 58.200 0.106 0.000 1.027 168 S CB 1.556 64.756 63.200 0.000 0.000 1.064 168 S HN 1.310 nan 8.310 nan 0.000 0.525 169 G N -0.218 108.603 108.800 0.035 0.000 2.731 169 G HA2 0.066 4.025 3.960 -0.001 0.000 0.219 169 G HA3 0.066 4.025 3.960 -0.001 0.000 0.219 169 G C 0.640 175.600 174.900 0.100 0.000 0.989 169 G CA 0.245 45.360 45.100 0.026 0.000 0.871 169 G HN 0.825 nan 8.290 nan 0.000 0.591 170 A N 0.377 123.300 122.820 0.171 0.000 2.024 170 A HA 0.127 4.446 4.320 -0.001 0.000 0.220 170 A C 1.871 179.627 177.584 0.287 0.000 1.164 170 A CA 2.228 54.422 52.037 0.262 0.000 0.643 170 A CB -0.191 19.010 19.000 0.335 0.000 0.806 170 A HN 0.375 nan 8.150 nan 0.000 0.451 171 E N -0.982 119.357 120.200 0.232 0.000 2.472 171 E HA 0.024 4.373 4.350 -0.001 0.000 0.200 171 E C 0.570 177.277 176.600 0.178 0.000 1.046 171 E CA 0.529 57.064 56.400 0.224 0.000 0.871 171 E CB -0.084 29.735 29.700 0.198 0.000 0.806 171 E HN 0.571 nan 8.360 nan 0.000 0.533 172 L N -1.653 119.633 121.223 0.106 0.000 3.122 172 L HA 0.363 4.703 4.340 -0.001 0.000 0.274 172 L C 1.131 178.151 176.870 0.250 0.000 1.222 172 L CA 0.192 55.060 54.840 0.047 0.000 1.028 172 L CB 0.800 42.716 42.059 -0.238 0.000 1.386 172 L HN 0.101 nan 8.230 nan 0.000 0.578 173 G N -0.183 108.833 108.800 0.361 0.000 2.153 173 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.252 173 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.252 173 G C 0.335 175.313 174.900 0.130 0.000 0.994 173 G CA 0.205 45.486 45.100 0.302 0.000 0.698 173 G HN 0.136 nan 8.290 nan 0.000 0.521 174 V N 0.902 120.907 119.914 0.153 0.000 2.585 174 V HA 0.196 4.315 4.120 -0.001 0.000 0.296 174 V C 1.349 177.539 176.094 0.160 0.000 1.035 174 V CA 0.238 62.616 62.300 0.130 0.000 1.084 174 V CB 1.137 33.037 31.823 0.127 0.000 0.953 174 V HN 0.516 nan 8.190 nan 0.000 0.483 175 R N 4.113 124.700 120.500 0.145 0.000 2.242 175 R HA 0.395 4.734 4.340 -0.001 0.000 0.334 175 R C 0.572 177.058 176.300 0.310 0.000 1.071 175 R CA -0.107 56.115 56.100 0.203 0.000 0.922 175 R CB 0.368 30.752 30.300 0.141 0.000 1.023 175 R HN 0.910 nan 8.270 nan 0.000 0.458 176 G N 2.211 111.200 108.800 0.316 0.000 2.594 176 G HA2 0.443 4.402 3.960 -0.001 0.000 0.243 176 G HA3 0.443 4.402 3.960 -0.001 0.000 0.243 176 G C -0.964 174.094 174.900 0.264 0.000 1.229 176 G CA 0.074 45.349 45.100 0.293 0.000 0.843 176 G HN 0.816 nan 8.290 nan 0.000 0.578 177 A N -0.062 122.818 122.820 0.100 0.000 2.594 177 A HA 0.535 4.855 4.320 -0.001 0.000 0.296 177 A C -1.028 176.480 177.584 -0.128 0.000 1.056 177 A CA -0.358 51.604 52.037 -0.125 0.000 0.693 177 A CB 1.515 20.169 19.000 -0.575 0.000 1.278 177 A HN 1.896 nan 8.150 nan 0.000 0.408 178 V N 2.220 122.029 119.914 -0.175 0.000 2.383 178 V HA 0.505 4.624 4.120 -0.001 0.000 0.275 178 V C -0.455 175.508 176.094 -0.218 0.000 1.036 178 V CA -0.457 61.733 62.300 -0.184 0.000 0.889 178 V CB 0.575 32.230 31.823 -0.279 0.000 0.985 178 V HN 0.855 nan 8.190 nan 0.000 0.459 179 N N 5.481 124.020 118.700 -0.268 0.000 2.456 179 N HA 0.753 5.492 4.740 -0.001 0.000 0.288 179 N C -0.590 174.454 175.510 -0.776 0.000 1.059 179 N CA -0.185 52.569 53.050 -0.493 0.000 0.946 179 N CB 1.826 40.138 38.487 -0.291 0.000 1.150 179 N HN 0.900 nan 8.380 nan 0.000 0.479 180 A N 1.888 123.919 122.820 -1.315 0.000 2.318 180 A HA 0.743 5.063 4.320 -0.001 0.000 0.324 180 A C -1.288 175.494 177.584 -1.336 0.000 1.170 180 A CA -0.520 50.686 52.037 -1.386 0.000 0.810 180 A CB 0.162 17.789 19.000 -2.289 0.000 1.198 180 A HN 0.592 nan 8.150 nan 0.000 0.484 181 F N 0.582 120.207 119.950 -0.542 0.000 2.577 181 F HA 0.342 4.869 4.527 -0.001 0.000 0.318 181 F C 0.351 175.907 175.800 -0.406 0.000 1.065 181 F CA -0.714 57.013 58.000 -0.456 0.000 0.929 181 F CB 1.646 40.406 39.000 -0.401 0.000 1.237 181 F HN 0.581 nan 8.300 nan 0.000 0.468 182 D N 2.163 122.419 120.400 -0.240 0.000 2.371 182 D HA 0.010 4.649 4.640 -0.001 0.000 0.256 182 D C 0.995 177.165 176.300 -0.217 0.000 1.193 182 D CA 0.012 53.869 54.000 -0.239 0.000 0.881 182 D CB 1.229 41.872 40.800 -0.262 0.000 1.143 182 D HN 0.584 nan 8.370 nan 0.000 0.473 183 L N 5.688 126.870 121.223 -0.068 0.000 2.127 183 L HA -0.141 4.198 4.340 -0.001 0.000 0.211 183 L C 2.159 179.155 176.870 0.211 0.000 1.089 183 L CA 1.779 56.677 54.840 0.095 0.000 0.757 183 L CB -0.377 41.689 42.059 0.012 0.000 0.899 183 L HN 0.461 nan 8.230 nan 0.000 0.434 184 K N -1.692 118.733 120.400 0.041 0.000 2.137 184 K HA -0.059 4.261 4.320 -0.001 0.000 0.202 184 K C 1.619 178.223 176.600 0.007 0.000 1.052 184 K CA 1.467 57.797 56.287 0.072 0.000 0.961 184 K CB 0.071 32.565 32.500 -0.010 0.000 0.741 184 K HN 0.556 nan 8.250 nan 0.000 0.452 185 T N -4.812 109.540 114.554 -0.337 0.000 2.959 185 T HA 0.246 4.596 4.350 -0.001 0.000 0.254 185 T C 1.221 175.194 174.700 -1.211 0.000 1.003 185 T CA 0.509 62.289 62.100 -0.533 0.000 0.950 185 T CB 0.821 69.506 68.868 -0.306 0.000 1.090 185 T HN 0.295 nan 8.240 nan 0.000 0.503 186 G N 1.504 109.265 108.800 -1.732 0.000 2.179 186 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 186 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 186 G C -0.165 174.296 174.900 -0.733 0.000 0.977 186 G CA 0.266 44.134 45.100 -2.054 0.000 0.641 186 G HN 0.858 nan 8.290 nan 0.000 0.533 187 E N 0.003 119.918 120.200 -0.476 0.000 2.392 187 E HA 0.368 4.718 4.350 -0.001 0.000 0.264 187 E C 0.470 176.968 176.600 -0.169 0.000 1.024 187 E CA -0.791 55.465 56.400 -0.240 0.000 0.903 187 E CB 0.372 29.942 29.700 -0.217 0.000 0.963 187 E HN 0.362 nan 8.360 nan 0.000 0.432 188 L N 4.949 126.082 121.223 -0.149 0.000 2.418 188 L HA 0.073 4.413 4.340 -0.001 0.000 0.274 188 L C 0.611 177.248 176.870 -0.388 0.000 1.135 188 L CA 0.668 55.272 54.840 -0.392 0.000 0.870 188 L CB 0.568 42.454 42.059 -0.290 0.000 1.154 188 L HN 0.588 nan 8.230 nan 0.000 0.462 189 K N 5.596 125.651 120.400 -0.575 0.000 2.168 189 K HA 0.178 4.498 4.320 -0.001 0.000 0.201 189 K C -0.644 175.802 176.600 -0.257 0.000 1.049 189 K CA 1.078 57.110 56.287 -0.425 0.000 0.974 189 K CB 0.251 32.401 32.500 -0.583 0.000 0.792 189 K HN 0.788 nan 8.250 nan 0.000 0.463 190 W N 0.305 121.414 121.300 -0.318 0.000 2.946 190 W HA 0.270 4.929 4.660 -0.001 0.000 0.364 190 W C -2.011 174.299 176.519 -0.348 0.000 1.134 190 W CA -1.057 56.129 57.345 -0.266 0.000 1.140 190 W CB 0.287 29.631 29.460 -0.193 0.000 1.463 190 W HN -0.121 nan 8.180 nan 0.000 0.564 191 R N 1.045 121.646 120.500 0.168 0.000 2.584 191 R HA 0.791 5.130 4.340 -0.001 0.000 0.276 191 R C -1.457 174.816 176.300 -0.046 0.000 1.046 191 R CA -0.760 55.307 56.100 -0.055 0.000 0.906 191 R CB 2.023 32.083 30.300 -0.400 0.000 1.215 191 R HN 0.721 nan 8.270 nan 0.000 0.449 192 A N 4.119 126.907 122.820 -0.053 0.000 2.277 192 A HA 0.562 4.881 4.320 -0.001 0.000 0.318 192 A C -0.889 176.558 177.584 -0.229 0.000 1.339 192 A CA -0.710 51.237 52.037 -0.149 0.000 0.875 192 A CB 0.063 18.957 19.000 -0.178 0.000 1.158 192 A HN 0.577 nan 8.150 nan 0.000 0.514 193 F N 1.339 121.270 119.950 -0.032 0.000 2.444 193 F HA 0.369 4.896 4.527 -0.001 0.000 0.331 193 F C 1.588 177.408 175.800 0.034 0.000 1.167 193 F CA 0.839 58.853 58.000 0.024 0.000 1.262 193 F CB 1.179 40.210 39.000 0.051 0.000 1.196 193 F HN 0.617 nan 8.300 nan 0.000 0.583 194 A N 0.217 123.262 122.820 0.374 0.000 2.147 194 A HA 0.199 4.518 4.320 -0.001 0.000 0.211 194 A C 0.658 178.544 177.584 0.503 0.000 1.160 194 A CA 1.000 53.300 52.037 0.437 0.000 0.781 194 A CB -0.535 18.743 19.000 0.464 0.000 0.842 194 A HN 0.721 nan 8.150 nan 0.000 0.475 195 T N -5.165 109.614 114.554 0.376 0.000 2.841 195 T HA 0.662 5.012 4.350 -0.001 0.000 0.296 195 T C 0.149 174.839 174.700 -0.017 0.000 1.166 195 T CA 0.130 62.379 62.100 0.249 0.000 1.007 195 T CB 1.416 70.378 68.868 0.156 0.000 1.253 195 T HN 1.961 nan 8.240 nan 0.000 0.511 196 G N 1.211 109.766 108.800 -0.409 0.000 2.447 196 G HA2 0.238 4.198 3.960 -0.001 0.000 0.220 196 G HA3 0.238 4.198 3.960 -0.001 0.000 0.220 196 G C -0.028 174.520 174.900 -0.588 0.000 1.261 196 G CA 0.031 44.502 45.100 -1.048 0.000 1.000 196 G HN 2.136 nan 8.290 nan 0.000 0.515 197 S N -0.018 115.363 115.700 -0.532 0.000 2.576 197 S HA 0.339 4.808 4.470 -0.001 0.000 0.272 197 S C 0.956 175.495 174.600 -0.100 0.000 1.352 197 S CA 1.010 59.059 58.200 -0.251 0.000 1.021 197 S CB 1.212 64.297 63.200 -0.191 0.000 0.887 197 S HN 0.582 nan 8.310 nan 0.000 0.542 198 D N 1.022 121.406 120.400 -0.027 0.000 2.178 198 D HA -0.086 4.554 4.640 -0.001 0.000 0.201 198 D C 1.376 177.651 176.300 -0.041 0.000 0.980 198 D CA 1.254 55.260 54.000 0.010 0.000 0.842 198 D CB -0.338 40.513 40.800 0.084 0.000 0.948 198 D HN 0.631 nan 8.370 nan 0.000 0.472 199 D N 0.079 120.450 120.400 -0.049 0.000 2.117 199 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 199 D C 2.176 178.462 176.300 -0.023 0.000 0.987 199 D CA 1.485 55.456 54.000 -0.049 0.000 0.829 199 D CB -0.227 40.547 40.800 -0.043 0.000 0.961 199 D HN 0.256 nan 8.370 nan 0.000 0.460 200 S N 0.137 115.836 115.700 -0.001 0.000 2.406 200 S HA -0.069 4.401 4.470 -0.001 0.000 0.228 200 S C 2.106 176.807 174.600 0.168 0.000 1.020 200 S CA 0.546 58.818 58.200 0.119 0.000 0.965 200 S CB -0.351 62.867 63.200 0.029 0.000 0.798 200 S HN 0.064 nan 8.310 nan 0.000 0.488 201 V N 1.371 121.310 119.914 0.041 0.000 3.129 201 V HA 0.206 4.326 4.120 -0.001 0.000 0.259 201 V C 0.698 176.671 176.094 -0.202 0.000 1.116 201 V CA 0.408 62.690 62.300 -0.030 0.000 1.127 201 V CB -1.318 30.509 31.823 0.007 0.000 0.742 201 V HN 0.543 nan 8.190 nan 0.000 0.474 202 R N 0.195 120.590 120.500 -0.175 0.000 2.994 202 R HA -0.148 4.192 4.340 -0.001 0.000 0.267 202 R C -0.791 175.322 176.300 -0.313 0.000 0.914 202 R CA 0.120 56.071 56.100 -0.248 0.000 0.668 202 R CB -1.691 28.412 30.300 -0.328 0.000 1.524 202 R HN 0.389 nan 8.270 nan 0.000 0.478 203 L N 1.286 122.349 121.223 -0.266 0.000 2.295 203 L HA 0.620 4.959 4.340 -0.001 0.000 0.285 203 L C 1.169 177.994 176.870 -0.076 0.000 1.035 203 L CA -0.678 53.968 54.840 -0.322 0.000 0.806 203 L CB 1.620 43.422 42.059 -0.428 0.000 1.214 203 L HN 0.441 nan 8.230 nan 0.000 0.426 204 A N 3.005 125.830 122.820 0.008 0.000 2.386 204 A HA 0.190 4.509 4.320 -0.001 0.000 0.246 204 A C 1.058 178.770 177.584 0.214 0.000 1.089 204 A CA -0.141 51.941 52.037 0.076 0.000 0.790 204 A CB 0.282 19.332 19.000 0.083 0.000 1.042 204 A HN 0.894 nan 8.150 nan 0.000 0.497 205 K N -0.008 120.465 120.400 0.123 0.000 2.280 205 K HA -0.112 4.207 4.320 -0.001 0.000 0.202 205 K C -0.023 176.746 176.600 0.282 0.000 1.047 205 K CA 1.555 57.913 56.287 0.118 0.000 0.942 205 K CB -0.025 32.488 32.500 0.021 0.000 0.739 205 K HN 0.822 nan 8.250 nan 0.000 0.457 206 D N -0.275 120.278 120.400 0.255 0.000 2.559 206 D HA -0.041 4.598 4.640 -0.001 0.000 0.234 206 D C -0.144 176.286 176.300 0.217 0.000 1.226 206 D CA -0.702 53.433 54.000 0.224 0.000 0.830 206 D CB -0.694 40.176 40.800 0.116 0.000 1.028 206 D HN -0.051 nan 8.370 nan 0.000 0.492 207 F N 2.662 122.690 119.950 0.129 0.000 2.604 207 F HA 0.058 4.584 4.527 -0.001 0.000 0.393 207 F C 0.775 176.500 175.800 -0.125 0.000 1.043 207 F CA 0.110 58.094 58.000 -0.027 0.000 1.227 207 F CB 0.066 39.013 39.000 -0.089 0.000 1.016 207 F HN -0.052 nan 8.300 nan 0.000 0.556 208 N N 2.268 120.589 118.700 -0.632 0.000 2.725 208 N HA -0.272 4.468 4.740 -0.001 0.000 0.249 208 N C 1.381 176.685 175.510 -0.344 0.000 1.103 208 N CA 1.123 53.815 53.050 -0.597 0.000 0.707 208 N CB -1.405 36.544 38.487 -0.897 0.000 1.043 208 N HN 0.740 nan 8.380 nan 0.000 0.553 209 S N -1.551 114.040 115.700 -0.181 0.000 2.419 209 S HA -0.052 4.417 4.470 -0.001 0.000 0.235 209 S C 1.932 176.449 174.600 -0.139 0.000 1.019 209 S CA 0.983 59.120 58.200 -0.106 0.000 0.982 209 S CB -0.117 63.067 63.200 -0.027 0.000 0.789 209 S HN 0.514 nan 8.310 nan 0.000 0.490 210 A N 1.760 124.468 122.820 -0.186 0.000 2.067 210 A HA 0.198 4.518 4.320 -0.001 0.000 0.217 210 A C 0.985 178.399 177.584 -0.283 0.000 1.156 210 A CA 0.411 52.324 52.037 -0.206 0.000 0.683 210 A CB -0.117 18.752 19.000 -0.218 0.000 0.808 210 A HN 0.564 nan 8.150 nan 0.000 0.455 211 N N -0.764 117.680 118.700 -0.427 0.000 2.726 211 N HA 0.188 4.927 4.740 -0.001 0.000 0.253 211 N C -2.637 172.549 175.510 -0.539 0.000 1.530 211 N CA -0.827 51.844 53.050 -0.631 0.000 0.772 211 N CB 1.271 38.789 38.487 -1.616 0.000 1.220 211 N HN 0.004 nan 8.380 nan 0.000 0.508 212 P HA -0.158 nan 4.420 nan 0.000 0.219 212 P C 1.365 178.635 177.300 -0.051 0.000 1.146 212 P CA 1.215 64.240 63.100 -0.125 0.000 0.808 212 P CB -0.013 31.662 31.700 -0.043 0.000 0.779 213 H N -2.704 116.303 119.070 -0.105 0.000 2.545 213 H HA -0.053 4.502 4.556 -0.001 0.000 0.282 213 H C 1.462 176.880 175.328 0.149 0.000 1.020 213 H CA 0.753 56.804 56.048 0.005 0.000 1.243 213 H CB -1.374 28.390 29.762 0.003 0.000 1.377 213 H HN 0.335 nan 8.280 nan 0.000 0.581 214 Y N 1.631 121.673 120.300 -0.430 0.000 2.439 214 Y HA 0.122 4.671 4.550 -0.001 0.000 0.292 214 Y C 1.302 177.183 175.900 -0.032 0.000 1.130 214 Y CA 0.096 58.047 58.100 -0.248 0.000 1.254 214 Y CB 0.498 38.828 38.460 -0.217 0.000 1.000 214 Y HN 0.505 nan 8.280 nan 0.000 0.554 215 G N 0.315 109.200 108.800 0.142 0.000 2.674 215 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.686 215 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.686 215 G C -0.833 174.212 174.900 0.242 0.000 1.195 215 G CA -0.473 44.738 45.100 0.184 0.000 0.776 215 G HN 0.217 nan 8.290 nan 0.000 0.654 216 Q N -0.563 119.328 119.800 0.153 0.000 2.061 216 Q HA 0.523 4.862 4.340 -0.001 0.000 0.159 216 Q C 0.032 176.008 176.000 -0.039 0.000 0.530 216 Q CA -0.055 55.690 55.803 -0.098 0.000 0.728 216 Q CB 0.670 29.077 28.738 -0.551 0.000 1.004 216 Q HN 0.504 nan 8.270 nan 0.000 0.426 217 F N -0.227 119.926 119.950 0.339 0.000 2.432 217 F HA 0.508 5.035 4.527 -0.001 0.000 0.329 217 F C 1.218 177.135 175.800 0.196 0.000 1.076 217 F CA 0.050 58.198 58.000 0.247 0.000 1.018 217 F CB 1.267 40.357 39.000 0.151 0.000 1.201 217 F HN 0.559 nan 8.300 nan 0.000 0.489 218 G N 0.945 109.961 108.800 0.359 0.000 2.189 218 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.267 218 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.267 218 G C 0.832 175.826 174.900 0.158 0.000 0.975 218 G CA 0.577 45.798 45.100 0.202 0.000 0.644 218 G HN 0.625 nan 8.290 nan 0.000 0.537 219 L N 0.515 121.865 121.223 0.211 0.000 2.395 219 L HA 0.191 4.531 4.340 -0.001 0.000 0.218 219 L C 2.843 179.729 176.870 0.026 0.000 1.130 219 L CA 0.918 55.793 54.840 0.059 0.000 0.826 219 L CB -0.407 41.601 42.059 -0.084 0.000 0.941 219 L HN 0.299 nan 8.230 nan 0.000 0.451 220 G N -0.184 108.711 108.800 0.157 0.000 2.559 220 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 220 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 220 G C 1.526 176.420 174.900 -0.011 0.000 1.126 220 G CA 1.383 46.575 45.100 0.153 0.000 0.778 220 G HN 0.472 nan 8.290 nan 0.000 0.543 221 T N -2.994 111.535 114.554 -0.041 0.000 3.028 221 T HA 0.205 4.555 4.350 -0.001 0.000 0.250 221 T C 1.967 176.763 174.700 0.161 0.000 0.979 221 T CA 0.125 62.162 62.100 -0.105 0.000 1.004 221 T CB -0.001 68.698 68.868 -0.282 0.000 1.120 221 T HN 0.161 nan 8.240 nan 0.000 0.482 222 K N 1.987 122.450 120.400 0.106 0.000 2.211 222 K HA -0.016 4.304 4.320 -0.001 0.000 0.203 222 K C 1.753 178.400 176.600 0.080 0.000 1.050 222 K CA 1.656 57.998 56.287 0.093 0.000 0.945 222 K CB -0.243 32.291 32.500 0.056 0.000 0.732 222 K HN 0.621 nan 8.250 nan 0.000 0.451 223 T N -2.154 112.439 114.554 0.065 0.000 3.312 223 T HA 0.129 4.479 4.350 -0.001 0.000 0.251 223 T C -0.416 174.165 174.700 -0.199 0.000 1.012 223 T CA -0.622 61.415 62.100 -0.106 0.000 0.925 223 T CB -0.317 68.388 68.868 -0.271 0.000 1.049 223 T HN 0.083 nan 8.240 nan 0.000 0.583 224 W N 0.269 121.601 121.300 0.052 0.000 3.031 224 W HA 0.562 5.221 4.660 -0.001 0.000 0.337 224 W C -0.495 176.093 176.519 0.115 0.000 1.187 224 W CA -1.106 56.311 57.345 0.120 0.000 1.166 224 W CB 1.477 31.084 29.460 0.245 0.000 1.437 224 W HN 0.016 nan 8.180 nan 0.000 0.551 225 E N 1.403 121.826 120.200 0.372 0.000 2.134 225 E HA 0.477 4.827 4.350 -0.001 0.000 0.278 225 E C 0.822 177.561 176.600 0.231 0.000 0.959 225 E CA 0.539 57.078 56.400 0.231 0.000 0.783 225 E CB 0.640 30.431 29.700 0.152 0.000 1.095 225 E HN 0.646 nan 8.360 nan 0.000 0.399 226 G N 4.908 113.827 108.800 0.197 0.000 2.582 226 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.288 226 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.288 226 G C 0.251 175.235 174.900 0.140 0.000 1.247 226 G CA 0.267 45.454 45.100 0.146 0.000 0.972 226 G HN 0.710 nan 8.290 nan 0.000 0.557 227 D N 1.485 121.833 120.400 -0.086 0.000 2.325 227 D HA 0.428 5.067 4.640 -0.001 0.000 0.234 227 D C 2.184 178.056 176.300 -0.713 0.000 1.122 227 D CA 1.082 54.765 54.000 -0.529 0.000 0.850 227 D CB -0.317 40.191 40.800 -0.486 0.000 0.921 227 D HN 0.778 nan 8.370 nan 0.000 0.513 228 A N 0.971 123.625 122.820 -0.277 0.000 2.024 228 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 228 A C 1.939 179.229 177.584 -0.490 0.000 1.164 228 A CA 0.742 52.686 52.037 -0.156 0.000 0.643 228 A CB -0.974 18.190 19.000 0.273 0.000 0.806 228 A HN 0.574 nan 8.150 nan 0.000 0.451 229 W N 0.061 120.901 121.300 -0.767 0.000 2.525 229 W HA -0.043 4.617 4.660 -0.001 0.000 0.259 229 W C 1.114 177.199 176.519 -0.723 0.000 1.253 229 W CA 0.914 57.397 57.345 -1.438 0.000 1.262 229 W CB -0.650 27.933 29.460 -1.462 0.000 1.122 229 W HN 0.269 nan 8.180 nan 0.000 0.607 230 K N 1.672 121.370 120.400 -1.170 0.000 2.209 230 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 230 K C 1.579 177.870 176.600 -0.515 0.000 1.048 230 K CA 1.792 57.535 56.287 -0.907 0.000 0.940 230 K CB -0.258 31.623 32.500 -1.033 0.000 0.729 230 K HN 0.393 nan 8.250 nan 0.000 0.451 231 I N -3.916 116.346 120.570 -0.513 0.000 3.424 231 I HA 0.320 4.489 4.170 -0.001 0.000 0.339 231 I C 0.731 176.771 176.117 -0.128 0.000 1.549 231 I CA -0.473 60.572 61.300 -0.426 0.000 1.049 231 I CB 0.822 38.275 38.000 -0.911 0.000 1.439 231 I HN -0.161 nan 8.210 nan 0.000 0.500 232 G N 0.727 109.438 108.800 -0.148 0.000 3.088 232 G HA2 0.467 4.426 3.960 -0.001 0.000 0.212 232 G HA3 0.467 4.426 3.960 -0.001 0.000 0.212 232 G C 0.899 175.995 174.900 0.327 0.000 1.173 232 G CA 0.365 45.487 45.100 0.036 0.000 0.779 232 G HN 0.824 nan 8.290 nan 0.000 0.540 233 G N -0.217 108.741 108.800 0.264 0.000 2.528 233 G HA2 0.274 4.233 3.960 -0.001 0.000 0.262 233 G HA3 0.274 4.233 3.960 -0.001 0.000 0.262 233 G C 1.076 176.185 174.900 0.349 0.000 1.200 233 G CA 0.949 46.240 45.100 0.319 0.000 0.951 233 G HN 1.906 nan 8.290 nan 0.000 0.566 234 G N -2.334 106.691 108.800 0.376 0.000 2.141 234 G HA2 0.163 4.122 3.960 -0.001 0.000 0.242 234 G HA3 0.163 4.122 3.960 -0.001 0.000 0.242 234 G C 0.937 176.065 174.900 0.379 0.000 0.982 234 G CA 1.466 46.801 45.100 0.393 0.000 0.662 234 G HN 2.771 nan 8.290 nan 0.000 0.527 235 T N 0.043 114.824 114.554 0.379 0.000 2.932 235 T HA 0.406 4.756 4.350 -0.001 0.000 0.312 235 T C 0.319 175.253 174.700 0.389 0.000 1.071 235 T CA 0.274 62.601 62.100 0.379 0.000 1.128 235 T CB 1.214 70.329 68.868 0.411 0.000 0.984 235 T HN 0.899 nan 8.240 nan 0.000 0.549 236 N N 3.136 122.003 118.700 0.279 0.000 2.518 236 N HA 0.128 4.868 4.740 -0.001 0.000 0.254 236 N C -0.029 175.517 175.510 0.061 0.000 0.979 236 N CA -1.062 52.053 53.050 0.108 0.000 0.930 236 N CB 0.984 39.549 38.487 0.130 0.000 1.152 236 N HN 1.042 nan 8.380 nan 0.000 0.505 237 W N 1.801 123.107 121.300 0.010 0.000 2.653 237 W HA 0.456 5.116 4.660 -0.001 0.000 0.391 237 W C -0.187 176.222 176.519 -0.183 0.000 0.962 237 W CA -0.717 56.598 57.345 -0.051 0.000 1.900 237 W CB -0.602 28.872 29.460 0.023 0.000 1.176 237 W HN 0.366 nan 8.180 nan 0.000 0.582 238 G N 1.488 109.910 108.800 -0.631 0.000 3.286 238 G HA2 0.407 4.367 3.960 -0.001 0.000 0.173 238 G HA3 0.407 4.367 3.960 -0.001 0.000 0.173 238 G C -1.404 172.992 174.900 -0.839 0.000 1.704 238 G CA -0.233 44.429 45.100 -0.729 0.000 1.041 238 G HN 0.121 nan 8.290 nan 0.000 0.561 239 W N -1.929 119.288 121.300 -0.138 0.000 2.902 239 W HA 0.717 5.376 4.660 -0.001 0.000 0.346 239 W C -1.224 175.202 176.519 -0.155 0.000 1.139 239 W CA -0.862 56.463 57.345 -0.033 0.000 1.139 239 W CB 1.128 30.653 29.460 0.108 0.000 1.439 239 W HN 0.329 nan 8.180 nan 0.000 0.558 240 Y N 0.587 121.012 120.300 0.208 0.000 2.650 240 Y HA 0.847 5.397 4.550 -0.001 0.000 0.331 240 Y C 0.323 176.162 175.900 -0.102 0.000 1.082 240 Y CA -1.483 56.547 58.100 -0.116 0.000 1.171 240 Y CB 1.791 39.759 38.460 -0.819 0.000 1.326 240 Y HN 0.476 nan 8.280 nan 0.000 0.513 241 A N 0.614 123.539 122.820 0.175 0.000 2.587 241 A HA 0.735 5.054 4.320 -0.001 0.000 0.293 241 A C -2.531 175.419 177.584 0.609 0.000 1.087 241 A CA -0.649 51.633 52.037 0.407 0.000 0.692 241 A CB 1.671 20.893 19.000 0.370 0.000 1.291 241 A HN 0.651 nan 8.150 nan 0.000 0.407 242 Y N 0.961 121.631 120.300 0.617 0.000 2.479 242 Y HA 0.567 5.117 4.550 -0.001 0.000 0.338 242 Y C -1.750 174.471 175.900 0.536 0.000 1.055 242 Y CA -1.189 57.248 58.100 0.563 0.000 1.023 242 Y CB 2.013 40.837 38.460 0.607 0.000 1.287 242 Y HN 0.661 nan 8.280 nan 0.000 0.447 243 D N 7.988 128.310 120.400 -0.131 0.000 2.461 243 D HA 0.373 5.013 4.640 -0.001 0.000 0.240 243 D C -2.284 173.638 176.300 -0.629 0.000 1.094 243 D CA -2.405 51.523 54.000 -0.120 0.000 0.868 243 D CB 2.372 43.237 40.800 0.109 0.000 1.062 243 D HN 0.329 nan 8.370 nan 0.000 0.530 244 P HA -0.152 nan 4.420 nan 0.000 0.216 244 P C 1.289 178.488 177.300 -0.168 0.000 1.150 244 P CA 1.194 63.988 63.100 -0.509 0.000 0.843 244 P CB 0.405 31.960 31.700 -0.241 0.000 0.787 245 K N -0.188 120.172 120.400 -0.068 0.000 2.057 245 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 245 K C 1.788 178.392 176.600 0.007 0.000 1.050 245 K CA 1.187 57.475 56.287 0.001 0.000 0.935 245 K CB -0.446 32.079 32.500 0.041 0.000 0.715 245 K HN 0.115 nan 8.250 nan 0.000 0.439 246 L N 0.167 121.391 121.223 0.002 0.000 2.509 246 L HA 0.028 4.368 4.340 -0.001 0.000 0.222 246 L C 0.500 177.385 176.870 0.025 0.000 1.123 246 L CA 0.040 54.899 54.840 0.032 0.000 0.856 246 L CB -0.344 41.762 42.059 0.079 0.000 0.985 246 L HN 0.339 nan 8.230 nan 0.000 0.456 247 N N 0.665 119.361 118.700 -0.006 0.000 2.735 247 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 247 N C -0.793 174.824 175.510 0.178 0.000 1.083 247 N CA 0.571 53.698 53.050 0.128 0.000 0.703 247 N CB -1.216 37.353 38.487 0.137 0.000 1.005 247 N HN 0.266 nan 8.380 nan 0.000 0.550 248 L N 0.848 122.104 121.223 0.056 0.000 2.346 248 L HA 0.626 4.966 4.340 -0.001 0.000 0.276 248 L C 0.280 177.098 176.870 -0.085 0.000 1.006 248 L CA -1.252 53.507 54.840 -0.135 0.000 0.817 248 L CB 0.998 42.837 42.059 -0.367 0.000 1.272 248 L HN 0.166 nan 8.230 nan 0.000 0.421 249 F N 0.757 120.585 119.950 -0.204 0.000 2.507 249 F HA 0.772 5.298 4.527 -0.001 0.000 0.327 249 F C -1.277 174.301 175.800 -0.370 0.000 1.068 249 F CA -1.040 56.931 58.000 -0.049 0.000 0.965 249 F CB 0.931 39.996 39.000 0.109 0.000 1.192 249 F HN 0.157 nan 8.300 nan 0.000 0.476 250 Y N 1.709 122.209 120.300 0.334 0.000 2.499 250 Y HA 0.670 5.219 4.550 -0.001 0.000 0.347 250 Y C -0.761 175.353 175.900 0.356 0.000 0.987 250 Y CA -1.361 56.828 58.100 0.147 0.000 1.044 250 Y CB 1.861 40.341 38.460 0.034 0.000 1.245 250 Y HN 0.802 nan 8.280 nan 0.000 0.461 251 Y N -1.508 118.904 120.300 0.188 0.000 2.774 251 Y HA 0.800 5.349 4.550 -0.001 0.000 0.346 251 Y C -1.102 174.844 175.900 0.077 0.000 1.222 251 Y CA -1.894 56.236 58.100 0.051 0.000 1.088 251 Y CB 0.962 39.386 38.460 -0.060 0.000 1.354 251 Y HN 0.790 nan 8.280 nan 0.000 0.455 252 G N 1.033 109.795 108.800 -0.064 0.000 2.461 252 G HA2 0.536 4.495 3.960 -0.001 0.000 0.323 252 G HA3 0.536 4.495 3.960 -0.001 0.000 0.323 252 G C -1.185 173.795 174.900 0.133 0.000 1.229 252 G CA -0.721 44.315 45.100 -0.106 0.000 0.941 252 G HN 1.008 nan 8.290 nan 0.000 0.477 253 S N 1.097 116.943 115.700 0.244 0.000 2.586 253 S HA 0.723 5.193 4.470 -0.001 0.000 0.274 253 S C 0.932 175.692 174.600 0.267 0.000 1.281 253 S CA -0.112 58.323 58.200 0.392 0.000 1.035 253 S CB 1.709 65.285 63.200 0.627 0.000 0.962 253 S HN 0.942 nan 8.310 nan 0.000 0.512 254 G N 1.545 110.522 108.800 0.296 0.000 2.489 254 G HA2 0.252 4.212 3.960 -0.001 0.000 0.271 254 G HA3 0.252 4.212 3.960 -0.001 0.000 0.271 254 G C 0.123 175.214 174.900 0.318 0.000 1.427 254 G CA -0.908 44.384 45.100 0.320 0.000 1.057 254 G HN 0.938 nan 8.290 nan 0.000 0.532 255 N N 0.913 119.812 118.700 0.332 0.000 2.482 255 N HA 0.220 4.960 4.740 -0.001 0.000 0.260 255 N C -2.693 172.981 175.510 0.274 0.000 1.236 255 N CA -1.083 52.117 53.050 0.250 0.000 0.938 255 N CB 1.387 39.981 38.487 0.180 0.000 1.128 255 N HN 0.177 nan 8.380 nan 0.000 0.448 256 P HA 0.239 nan 4.420 nan 0.000 0.276 256 P C -1.116 176.361 177.300 0.296 0.000 1.244 256 P CA -0.440 62.853 63.100 0.322 0.000 0.801 256 P CB 0.985 32.805 31.700 0.199 0.000 1.006 257 A N 3.181 126.228 122.820 0.378 0.000 2.340 257 A HA 0.765 5.084 4.320 -0.001 0.000 0.331 257 A C -2.374 175.382 177.584 0.287 0.000 1.140 257 A CA -1.964 50.271 52.037 0.330 0.000 0.801 257 A CB 0.795 20.050 19.000 0.425 0.000 1.234 257 A HN 0.401 nan 8.150 nan 0.000 0.469 258 P HA 0.166 nan 4.420 nan 0.000 0.302 258 P C -0.018 177.327 177.300 0.074 0.000 1.307 258 P CA -0.355 62.540 63.100 -0.342 0.000 0.754 258 P CB 0.512 31.506 31.700 -1.178 0.000 1.298 259 W N -1.159 120.017 121.300 -0.207 0.000 2.467 259 W HA 0.023 4.682 4.660 -0.001 0.000 0.275 259 W C 1.167 177.716 176.519 0.050 0.000 1.239 259 W CA 0.559 57.906 57.345 0.003 0.000 1.266 259 W CB -1.666 27.760 29.460 -0.058 0.000 1.112 259 W HN 0.270 nan 8.180 nan 0.000 0.576 260 N N 2.104 120.852 118.700 0.081 0.000 2.400 260 N HA -0.072 4.667 4.740 -0.001 0.000 0.278 260 N C 1.200 176.717 175.510 0.010 0.000 1.247 260 N CA 0.598 53.666 53.050 0.029 0.000 0.970 260 N CB 0.637 39.055 38.487 -0.115 0.000 1.312 260 N HN 0.309 nan 8.380 nan 0.000 0.488 261 E N 1.767 121.959 120.200 -0.013 0.000 2.204 261 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 261 E C 0.989 177.621 176.600 0.054 0.000 0.990 261 E CA 1.699 58.028 56.400 -0.117 0.000 0.821 261 E CB -0.528 29.002 29.700 -0.284 0.000 0.750 261 E HN 0.469 nan 8.360 nan 0.000 0.477 262 T N 0.441 115.033 114.554 0.062 0.000 2.962 262 T HA -0.009 4.340 4.350 -0.001 0.000 0.270 262 T C 1.504 176.252 174.700 0.081 0.000 1.088 262 T CA 1.379 63.525 62.100 0.076 0.000 1.127 262 T CB -0.200 68.708 68.868 0.067 0.000 0.883 262 T HN 0.204 nan 8.240 nan 0.000 0.493 263 M N 1.134 120.780 119.600 0.077 0.000 2.618 263 M HA 0.108 4.587 4.480 -0.001 0.000 0.240 263 M C 0.634 177.023 176.300 0.147 0.000 1.123 263 M CA 0.648 56.009 55.300 0.102 0.000 1.060 263 M CB 0.199 32.851 32.600 0.087 0.000 1.535 263 M HN 0.190 nan 8.290 nan 0.000 0.507 264 R N -0.113 120.474 120.500 0.145 0.000 2.655 264 R HA 0.355 4.694 4.340 -0.001 0.000 0.261 264 R C -3.061 173.324 176.300 0.141 0.000 1.624 264 R CA -1.420 54.788 56.100 0.180 0.000 1.655 264 R CB -0.383 30.044 30.300 0.211 0.000 1.356 264 R HN -0.122 nan 8.270 nan 0.000 0.684 265 P HA 0.228 nan 4.420 nan 0.000 0.267 265 P C 0.268 177.492 177.300 -0.128 0.000 1.200 265 P CA 0.978 64.045 63.100 -0.056 0.000 0.772 265 P CB 1.194 32.862 31.700 -0.052 0.000 0.855 266 G N 2.328 110.957 108.800 -0.284 0.000 2.459 266 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.685 266 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.685 266 G C 0.046 174.776 174.900 -0.284 0.000 1.303 266 G CA -0.492 44.442 45.100 -0.276 0.000 0.907 266 G HN 0.338 nan 8.290 nan 0.000 0.632 267 D N 0.604 120.819 120.400 -0.307 0.000 2.309 267 D HA -0.019 4.620 4.640 -0.001 0.000 0.212 267 D C 1.466 177.514 176.300 -0.420 0.000 0.968 267 D CA 1.253 55.080 54.000 -0.290 0.000 0.882 267 D CB -0.084 40.536 40.800 -0.301 0.000 0.918 267 D HN 0.588 nan 8.370 nan 0.000 0.503 268 N N 0.537 118.785 118.700 -0.754 0.000 2.740 268 N HA -0.200 4.539 4.740 -0.001 0.000 0.248 268 N C -0.467 174.826 175.510 -0.360 0.000 1.062 268 N CA 0.611 52.938 53.050 -1.206 0.000 0.704 268 N CB -1.354 36.518 38.487 -1.025 0.000 0.968 268 N HN 0.395 nan 8.380 nan 0.000 0.547 269 K N -0.667 119.534 120.400 -0.331 0.000 2.295 269 K HA 0.073 4.392 4.320 -0.001 0.000 0.270 269 K C 0.294 176.994 176.600 0.166 0.000 1.011 269 K CA 0.127 56.188 56.287 -0.377 0.000 0.953 269 K CB 0.388 32.112 32.500 -1.293 0.000 0.956 269 K HN 0.208 nan 8.250 nan 0.000 0.477 270 W N 2.262 123.797 121.300 0.392 0.000 1.948 270 W HA 0.083 4.743 4.660 -0.001 0.000 0.335 270 W C 0.383 177.087 176.519 0.309 0.000 0.753 270 W CA -0.521 56.993 57.345 0.283 0.000 2.601 270 W CB 0.097 29.786 29.460 0.382 0.000 2.143 270 W HN 0.538 nan 8.180 nan 0.000 0.636 271 T N -2.744 112.051 114.554 0.401 0.000 2.766 271 T HA 0.242 4.591 4.350 -0.001 0.000 0.295 271 T C 1.051 175.869 174.700 0.196 0.000 1.024 271 T CA -0.334 61.975 62.100 0.349 0.000 1.018 271 T CB 0.720 69.782 68.868 0.322 0.000 1.002 271 T HN 0.297 nan 8.240 nan 0.000 0.532 272 M N -0.905 118.802 119.600 0.179 0.000 2.253 272 M HA -0.160 4.320 4.480 -0.001 0.000 0.199 272 M C -0.404 175.859 176.300 -0.061 0.000 0.342 272 M CA 0.396 55.745 55.300 0.082 0.000 0.417 272 M CB -2.865 29.779 32.600 0.075 0.000 1.338 272 M HN 0.777 nan 8.290 nan 0.000 0.920 273 T N 0.908 115.408 114.554 -0.090 0.000 2.856 273 T HA 0.736 5.085 4.350 -0.001 0.000 0.283 273 T C 0.284 174.632 174.700 -0.586 0.000 1.008 273 T CA -0.628 61.231 62.100 -0.401 0.000 0.997 273 T CB 2.097 70.612 68.868 -0.588 0.000 0.992 273 T HN 0.255 nan 8.240 nan 0.000 0.454 274 I N 2.783 123.030 120.570 -0.538 0.000 2.325 274 I HA 0.332 4.502 4.170 -0.001 0.000 0.291 274 I C -0.697 175.062 176.117 -0.597 0.000 1.019 274 I CA -0.462 60.583 61.300 -0.425 0.000 1.302 274 I CB 0.687 38.607 38.000 -0.133 0.000 1.401 274 I HN 0.534 nan 8.210 nan 0.000 0.485 275 W N 4.049 124.967 121.300 -0.636 0.000 2.639 275 W HA 0.656 5.315 4.660 -0.001 0.000 0.347 275 W C 0.344 176.193 176.519 -1.116 0.000 1.067 275 W CA -0.808 56.024 57.345 -0.855 0.000 1.218 275 W CB 1.810 30.717 29.460 -0.921 0.000 1.393 275 W HN 0.442 nan 8.180 nan 0.000 0.557 276 G N 2.224 110.309 108.800 -1.190 0.000 2.866 276 G HA2 0.636 4.596 3.960 -0.001 0.000 0.291 276 G HA3 0.636 4.596 3.960 -0.001 0.000 0.291 276 G C -1.007 173.356 174.900 -0.895 0.000 1.476 276 G CA -0.851 43.417 45.100 -1.387 0.000 1.048 276 G HN 0.387 nan 8.290 nan 0.000 0.542 277 R N 1.250 121.177 120.500 -0.955 0.000 2.711 277 R HA 0.326 4.665 4.340 -0.001 0.000 0.284 277 R C -1.003 174.946 176.300 -0.586 0.000 0.968 277 R CA -0.903 54.720 56.100 -0.796 0.000 0.924 277 R CB 2.367 32.051 30.300 -1.027 0.000 1.162 277 R HN 0.592 nan 8.270 nan 0.000 0.465 278 D N 1.417 121.640 120.400 -0.294 0.000 2.425 278 D HA -0.043 4.597 4.640 -0.001 0.000 0.247 278 D C 0.947 177.319 176.300 0.121 0.000 1.147 278 D CA -0.240 53.711 54.000 -0.083 0.000 0.879 278 D CB 0.927 41.675 40.800 -0.085 0.000 1.179 278 D HN 0.317 nan 8.370 nan 0.000 0.456 279 L N 3.707 125.116 121.223 0.310 0.000 2.093 279 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 279 L C 1.202 178.272 176.870 0.333 0.000 1.085 279 L CA 1.925 57.027 54.840 0.437 0.000 0.755 279 L CB -0.460 41.774 42.059 0.293 0.000 0.904 279 L HN 0.554 nan 8.230 nan 0.000 0.435 280 D N -1.341 119.178 120.400 0.198 0.000 2.117 280 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 280 D C 2.033 178.429 176.300 0.161 0.000 0.982 280 D CA 1.921 56.024 54.000 0.173 0.000 0.828 280 D CB -0.022 40.830 40.800 0.087 0.000 0.967 280 D HN 0.548 nan 8.370 nan 0.000 0.464 281 T N -4.427 110.073 114.554 -0.091 0.000 3.014 281 T HA 0.344 4.693 4.350 -0.001 0.000 0.250 281 T C 1.794 175.834 174.700 -1.099 0.000 1.060 281 T CA 0.549 62.396 62.100 -0.422 0.000 1.040 281 T CB 0.668 69.365 68.868 -0.284 0.000 0.971 281 T HN 0.192 nan 8.240 nan 0.000 0.497 282 G N 1.924 110.153 108.800 -0.952 0.000 2.184 282 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.264 282 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.264 282 G C 0.183 174.644 174.900 -0.732 0.000 0.975 282 G CA 0.265 44.580 45.100 -1.309 0.000 0.642 282 G HN 0.490 nan 8.290 nan 0.000 0.536 283 M N 1.321 120.606 119.600 -0.526 0.000 2.246 283 M HA 0.501 4.981 4.480 -0.001 0.000 0.350 283 M C 0.947 177.076 176.300 -0.285 0.000 1.406 283 M CA -0.201 54.886 55.300 -0.354 0.000 1.089 283 M CB 0.314 32.771 32.600 -0.238 0.000 1.782 283 M HN 0.637 nan 8.290 nan 0.000 0.457 284 A N 4.011 126.676 122.820 -0.257 0.000 2.404 284 A HA 0.190 4.510 4.320 -0.001 0.000 0.273 284 A C 1.112 178.752 177.584 0.094 0.000 1.144 284 A CA -0.307 51.655 52.037 -0.125 0.000 0.806 284 A CB 0.145 19.132 19.000 -0.022 0.000 1.080 284 A HN 0.867 nan 8.150 nan 0.000 0.509 285 K N 2.908 123.314 120.400 0.010 0.000 2.116 285 K HA 0.053 4.373 4.320 -0.001 0.000 0.203 285 K C 0.340 177.099 176.600 0.266 0.000 1.052 285 K CA 1.366 57.729 56.287 0.127 0.000 0.952 285 K CB 0.070 32.624 32.500 0.091 0.000 0.729 285 K HN 0.860 nan 8.250 nan 0.000 0.446 286 W N -1.636 119.715 121.300 0.084 0.000 3.137 286 W HA 0.641 5.300 4.660 -0.001 0.000 0.324 286 W C -1.017 175.492 176.519 -0.016 0.000 1.253 286 W CA -0.998 56.270 57.345 -0.130 0.000 1.183 286 W CB 0.580 29.961 29.460 -0.132 0.000 1.424 286 W HN 0.022 nan 8.180 nan 0.000 0.566 287 G N 1.398 110.242 108.800 0.075 0.000 2.734 287 G HA2 0.478 4.437 3.960 -0.001 0.000 0.293 287 G HA3 0.478 4.437 3.960 -0.001 0.000 0.293 287 G C -2.967 171.866 174.900 -0.111 0.000 1.422 287 G CA -0.702 44.241 45.100 -0.262 0.000 1.177 287 G HN 0.618 nan 8.290 nan 0.000 0.565 288 Y N 2.170 122.317 120.300 -0.255 0.000 2.328 288 Y HA 0.571 5.121 4.550 -0.001 0.000 0.333 288 Y C 0.175 175.849 175.900 -0.377 0.000 0.958 288 Y CA -0.941 56.902 58.100 -0.428 0.000 1.167 288 Y CB 1.876 40.025 38.460 -0.518 0.000 1.151 288 Y HN 0.526 nan 8.280 nan 0.000 0.470 289 Q N 6.223 125.529 119.800 -0.823 0.000 2.323 289 Q HA 0.173 4.513 4.340 -0.001 0.000 0.257 289 Q C 0.311 175.698 176.000 -1.021 0.000 1.022 289 Q CA -0.067 55.334 55.803 -0.670 0.000 0.919 289 Q CB 0.920 29.417 28.738 -0.402 0.000 1.220 289 Q HN 0.897 nan 8.270 nan 0.000 0.427 290 K N 1.473 121.426 120.400 -0.745 0.000 2.062 290 K HA 0.001 4.320 4.320 -0.001 0.000 0.205 290 K C 0.115 176.592 176.600 -0.204 0.000 1.051 290 K CA 1.061 57.033 56.287 -0.524 0.000 0.941 290 K CB 0.415 32.703 32.500 -0.353 0.000 0.719 290 K HN 0.404 nan 8.250 nan 0.000 0.440 291 T N 3.087 117.590 114.554 -0.085 0.000 3.155 291 T HA 0.269 4.619 4.350 -0.001 0.000 0.384 291 T C -2.728 171.982 174.700 0.017 0.000 1.351 291 T CA -1.591 60.565 62.100 0.093 0.000 1.198 291 T CB 1.569 70.651 68.868 0.357 0.000 1.106 291 T HN -0.148 nan 8.240 nan 0.000 0.564 292 P HA 0.139 nan 4.420 nan 0.000 0.271 292 P C 0.038 177.341 177.300 0.004 0.000 1.216 292 P CA 0.059 63.101 63.100 -0.098 0.000 0.776 292 P CB 0.120 31.738 31.700 -0.136 0.000 0.881 293 H N 0.222 119.177 119.070 -0.192 0.000 2.499 293 H HA -0.260 4.296 4.556 -0.001 0.000 0.321 293 H C -0.199 175.010 175.328 -0.198 0.000 1.026 293 H CA 0.289 56.204 56.048 -0.222 0.000 1.077 293 H CB -1.509 28.124 29.762 -0.216 0.000 1.612 293 H HN 0.365 nan 8.280 nan 0.000 0.374 294 D N 1.501 121.706 120.400 -0.325 0.000 2.506 294 D HA 0.001 4.641 4.640 -0.001 0.000 0.234 294 D C 0.857 176.690 176.300 -0.778 0.000 1.143 294 D CA 1.080 54.887 54.000 -0.321 0.000 0.871 294 D CB 0.637 41.348 40.800 -0.149 0.000 1.190 294 D HN 0.762 nan 8.370 nan 0.000 0.459 295 E N 2.302 121.735 120.200 -1.279 0.000 2.715 295 E HA 0.122 4.471 4.350 -0.001 0.000 0.224 295 E C -0.022 175.318 176.600 -2.100 0.000 0.962 295 E CA -0.258 55.115 56.400 -1.712 0.000 1.145 295 E CB 0.635 29.066 29.700 -2.114 0.000 1.083 295 E HN 0.624 nan 8.360 nan 0.000 0.506 296 W N 0.552 121.181 121.300 -1.119 0.000 2.055 296 W HA 0.174 4.834 4.660 -0.001 0.000 0.293 296 W C -0.024 175.889 176.519 -1.010 0.000 0.886 296 W CA -0.450 55.998 57.345 -1.494 0.000 1.384 296 W CB 0.539 28.813 29.460 -1.976 0.000 1.068 296 W HN 0.049 nan 8.180 nan 0.000 0.513 297 D N 1.114 121.182 120.400 -0.553 0.000 2.716 297 D HA -0.245 4.394 4.640 -0.001 0.000 0.239 297 D C -0.346 175.954 176.300 0.001 0.000 1.125 297 D CA 0.661 54.399 54.000 -0.437 0.000 0.681 297 D CB -1.806 38.405 40.800 -0.981 0.000 1.070 297 D HN 0.248 nan 8.370 nan 0.000 0.432 298 F N 0.249 120.264 119.950 0.109 0.000 2.833 298 F HA 0.432 4.959 4.527 -0.001 0.000 0.327 298 F C 1.660 177.569 175.800 0.182 0.000 1.184 298 F CA -0.600 57.491 58.000 0.153 0.000 1.328 298 F CB -0.189 38.894 39.000 0.139 0.000 1.440 298 F HN 0.237 nan 8.300 nan 0.000 0.569 299 A N 1.037 124.096 122.820 0.398 0.000 2.567 299 A HA 0.004 4.323 4.320 -0.001 0.000 0.263 299 A C 1.430 179.179 177.584 0.274 0.000 1.030 299 A CA 0.617 52.885 52.037 0.385 0.000 0.833 299 A CB -0.386 18.983 19.000 0.615 0.000 0.924 299 A HN 0.730 nan 8.150 nan 0.000 0.518 300 G N 1.862 110.791 108.800 0.216 0.000 3.397 300 G HA2 0.283 4.243 3.960 -0.001 0.000 0.248 300 G HA3 0.283 4.243 3.960 -0.001 0.000 0.248 300 G C 0.796 175.753 174.900 0.094 0.000 1.284 300 G CA 0.537 45.737 45.100 0.167 0.000 1.570 300 G HN 1.632 nan 8.290 nan 0.000 0.587 301 V N -2.828 117.053 119.914 -0.056 0.000 3.649 301 V HA 0.195 4.315 4.120 -0.001 0.000 0.275 301 V C 0.749 176.769 176.094 -0.124 0.000 1.281 301 V CA -0.885 61.260 62.300 -0.259 0.000 1.143 301 V CB -1.153 30.108 31.823 -0.936 0.000 0.892 301 V HN 0.327 nan 8.190 nan 0.000 0.441 302 N N 1.881 120.636 118.700 0.091 0.000 2.344 302 N HA 0.017 4.756 4.740 -0.001 0.000 0.236 302 N C 0.135 175.833 175.510 0.313 0.000 1.279 302 N CA 0.024 53.157 53.050 0.138 0.000 0.882 302 N CB 0.220 38.616 38.487 -0.152 0.000 1.110 302 N HN 0.591 nan 8.380 nan 0.000 0.436 303 Q N 1.142 121.121 119.800 0.298 0.000 2.326 303 Q HA -0.115 4.225 4.340 -0.001 0.000 0.314 303 Q C -0.945 175.216 176.000 0.268 0.000 1.091 303 Q CA 0.357 56.327 55.803 0.278 0.000 0.974 303 Q CB 0.457 29.247 28.738 0.086 0.000 1.220 303 Q HN 0.364 nan 8.270 nan 0.000 0.398 304 M N 4.113 123.839 119.600 0.209 0.000 2.227 304 M HA 0.349 4.828 4.480 -0.001 0.000 0.335 304 M C -1.098 175.260 176.300 0.097 0.000 1.053 304 M CA -0.685 54.690 55.300 0.125 0.000 0.973 304 M CB 1.518 34.180 32.600 0.103 0.000 1.623 304 M HN 0.345 nan 8.290 nan 0.000 0.434 305 V N 5.448 125.376 119.914 0.024 0.000 2.378 305 V HA 0.495 4.615 4.120 -0.001 0.000 0.288 305 V C -0.088 175.927 176.094 -0.133 0.000 1.016 305 V CA -0.696 61.598 62.300 -0.010 0.000 0.840 305 V CB 1.772 33.579 31.823 -0.026 0.000 0.994 305 V HN 0.696 nan 8.190 nan 0.000 0.431 306 L N 5.521 126.655 121.223 -0.149 0.000 2.275 306 L HA 0.794 5.134 4.340 -0.001 0.000 0.288 306 L C 0.376 177.058 176.870 -0.312 0.000 1.046 306 L CA -0.082 54.540 54.840 -0.364 0.000 0.805 306 L CB 1.628 43.282 42.059 -0.676 0.000 1.193 306 L HN 0.830 nan 8.230 nan 0.000 0.426 307 T N -1.949 112.410 114.554 -0.325 0.000 2.864 307 T HA 0.460 4.810 4.350 -0.001 0.000 0.299 307 T C -1.160 173.457 174.700 -0.137 0.000 1.166 307 T CA -0.989 60.967 62.100 -0.239 0.000 1.007 307 T CB 2.532 71.079 68.868 -0.536 0.000 1.219 307 T HN 0.353 nan 8.240 nan 0.000 0.506 308 D N 2.089 122.485 120.400 -0.007 0.000 2.453 308 D HA 0.425 5.065 4.640 -0.001 0.000 0.238 308 D C -0.415 175.911 176.300 0.043 0.000 1.088 308 D CA -0.248 53.764 54.000 0.020 0.000 0.854 308 D CB 1.817 42.667 40.800 0.084 0.000 1.076 308 D HN 0.568 nan 8.370 nan 0.000 0.533 309 Q N 1.363 121.169 119.800 0.010 0.000 2.456 309 Q HA 0.458 4.797 4.340 -0.001 0.000 0.284 309 Q C -2.715 173.291 176.000 0.009 0.000 1.061 309 Q CA -2.008 53.815 55.803 0.032 0.000 0.799 309 Q CB 3.378 32.140 28.738 0.040 0.000 1.445 309 Q HN 0.169 nan 8.270 nan 0.000 0.411 310 P HA 0.133 nan 4.420 nan 0.000 0.281 310 P C -0.822 176.474 177.300 -0.008 0.000 1.252 310 P CA -0.184 62.918 63.100 0.003 0.000 0.778 310 P CB 0.948 32.654 31.700 0.010 0.000 0.895 311 V N 5.106 125.008 119.914 -0.021 0.000 2.334 311 V HA 0.206 4.325 4.120 -0.001 0.000 0.281 311 V C 0.678 176.756 176.094 -0.026 0.000 1.016 311 V CA -0.484 61.798 62.300 -0.030 0.000 0.832 311 V CB 0.108 31.903 31.823 -0.046 0.000 0.999 311 V HN 0.653 nan 8.190 nan 0.000 0.439 312 N N 4.313 123.000 118.700 -0.021 0.000 2.754 312 N HA -0.212 4.528 4.740 -0.001 0.000 0.248 312 N C 1.156 176.657 175.510 -0.015 0.000 1.093 312 N CA 1.312 54.351 53.050 -0.019 0.000 0.699 312 N CB -1.060 37.413 38.487 -0.025 0.000 1.016 312 N HN 1.446 nan 8.380 nan 0.000 0.552 313 G N -1.025 107.769 108.800 -0.010 0.000 2.176 313 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.253 313 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.253 313 G C -0.094 174.803 174.900 -0.006 0.000 0.979 313 G CA 0.773 45.870 45.100 -0.006 0.000 0.641 313 G HN 0.490 nan 8.290 nan 0.000 0.530 314 K N 0.165 120.558 120.400 -0.012 0.000 2.293 314 K HA 0.582 4.902 4.320 -0.001 0.000 0.267 314 K C 0.198 176.790 176.600 -0.013 0.000 1.010 314 K CA -1.049 55.230 56.287 -0.013 0.000 0.875 314 K CB 1.522 34.009 32.500 -0.021 0.000 1.106 314 K HN 0.123 nan 8.250 nan 0.000 0.450 315 M N 2.568 122.165 119.600 -0.005 0.000 2.284 315 M HA -0.005 4.475 4.480 -0.001 0.000 0.351 315 M C -0.800 175.492 176.300 -0.014 0.000 1.443 315 M CA 1.159 56.458 55.300 -0.001 0.000 1.031 315 M CB 0.044 32.651 32.600 0.011 0.000 1.893 315 M HN 0.567 nan 8.290 nan 0.000 0.456 316 T N 7.190 121.731 114.554 -0.023 0.000 2.912 316 T HA 0.585 4.934 4.350 -0.001 0.000 0.299 316 T C -2.777 171.890 174.700 -0.055 0.000 1.052 316 T CA -1.091 60.983 62.100 -0.044 0.000 0.996 316 T CB 1.818 70.648 68.868 -0.062 0.000 1.070 316 T HN 0.386 nan 8.240 nan 0.000 0.465 317 P HA 0.435 nan 4.420 nan 0.000 0.284 317 P C -0.879 176.338 177.300 -0.138 0.000 1.343 317 P CA -0.304 62.745 63.100 -0.086 0.000 0.826 317 P CB 0.207 31.873 31.700 -0.057 0.000 0.956 318 L N 3.348 124.467 121.223 -0.172 0.000 2.332 318 L HA 0.679 5.018 4.340 -0.001 0.000 0.269 318 L C 0.016 176.726 176.870 -0.268 0.000 1.016 318 L CA -1.168 53.550 54.840 -0.203 0.000 0.809 318 L CB 1.554 43.508 42.059 -0.176 0.000 1.280 318 L HN 0.202 nan 8.230 nan 0.000 0.447 319 L N 0.247 121.322 121.223 -0.246 0.000 2.410 319 L HA 0.631 4.970 4.340 -0.001 0.000 0.270 319 L C -0.998 175.782 176.870 -0.151 0.000 0.983 319 L CA 0.167 54.856 54.840 -0.251 0.000 0.822 319 L CB 2.006 43.906 42.059 -0.265 0.000 1.285 319 L HN 0.589 nan 8.230 nan 0.000 0.409 320 S N 3.138 118.769 115.700 -0.116 0.000 2.566 320 S HA 0.667 5.137 4.470 -0.001 0.000 0.298 320 S C -1.562 173.070 174.600 0.053 0.000 1.083 320 S CA -0.506 57.661 58.200 -0.056 0.000 0.978 320 S CB 1.415 64.547 63.200 -0.114 0.000 1.073 320 S HN 0.790 nan 8.310 nan 0.000 0.491 321 H N 1.201 120.231 119.070 -0.068 0.000 3.151 321 H HA 0.340 4.896 4.556 -0.001 0.000 0.333 321 H C -2.012 173.277 175.328 -0.065 0.000 1.093 321 H CA -0.479 55.533 56.048 -0.059 0.000 1.342 321 H CB 0.701 30.458 29.762 -0.009 0.000 1.983 321 H HN 0.545 nan 8.280 nan 0.000 0.503 322 I N 4.580 124.818 120.570 -0.555 0.000 2.330 322 I HA 0.067 4.236 4.170 -0.001 0.000 0.286 322 I C 0.071 175.761 176.117 -0.712 0.000 1.025 322 I CA -0.409 60.563 61.300 -0.546 0.000 1.197 322 I CB 1.155 38.869 38.000 -0.477 0.000 1.358 322 I HN 0.529 nan 8.210 nan 0.000 0.467 323 D N 4.395 124.520 120.400 -0.457 0.000 2.358 323 D HA 0.164 4.804 4.640 -0.001 0.000 0.244 323 D C 1.396 177.596 176.300 -0.167 0.000 1.163 323 D CA -0.278 53.552 54.000 -0.285 0.000 0.945 323 D CB 1.173 42.023 40.800 0.085 0.000 1.152 323 D HN 0.286 nan 8.370 nan 0.000 0.451 324 R N 1.108 121.567 120.500 -0.069 0.000 2.127 324 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 324 R C 1.273 177.273 176.300 -0.499 0.000 1.134 324 R CA 1.104 57.177 56.100 -0.044 0.000 0.975 324 R CB -0.807 29.618 30.300 0.208 0.000 0.865 324 R HN 0.597 nan 8.270 nan 0.000 0.447 325 N N -0.011 118.257 118.700 -0.720 0.000 2.609 325 N HA -0.063 4.677 4.740 -0.001 0.000 0.190 325 N C 1.001 175.944 175.510 -0.946 0.000 1.157 325 N CA 1.151 53.336 53.050 -1.441 0.000 0.918 325 N CB -0.153 37.911 38.487 -0.706 0.000 0.978 325 N HN 0.291 nan 8.380 nan 0.000 0.448 326 G N -0.895 107.582 108.800 -0.539 0.000 2.159 326 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.256 326 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.256 326 G C -0.387 174.363 174.900 -0.251 0.000 0.977 326 G CA 0.244 45.146 45.100 -0.329 0.000 0.652 326 G HN 0.313 nan 8.290 nan 0.000 0.531 327 I N 0.848 121.247 120.570 -0.286 0.000 2.359 327 I HA 0.487 4.656 4.170 -0.001 0.000 0.294 327 I C 0.525 176.322 176.117 -0.533 0.000 0.987 327 I CA -1.260 59.785 61.300 -0.425 0.000 1.225 327 I CB 1.506 39.156 38.000 -0.584 0.000 1.366 327 I HN 0.160 nan 8.210 nan 0.000 0.466 328 L N 7.519 128.414 121.223 -0.546 0.000 2.260 328 L HA 0.380 4.720 4.340 -0.001 0.000 0.289 328 L C -1.304 175.279 176.870 -0.479 0.000 1.057 328 L CA -0.320 54.230 54.840 -0.484 0.000 0.811 328 L CB 0.407 42.117 42.059 -0.583 0.000 1.184 328 L HN 0.383 nan 8.230 nan 0.000 0.429 329 Y N 2.835 123.046 120.300 -0.148 0.000 2.360 329 Y HA 0.508 5.058 4.550 -0.001 0.000 0.337 329 Y C 0.226 176.052 175.900 -0.124 0.000 1.039 329 Y CA -0.605 57.433 58.100 -0.104 0.000 1.109 329 Y CB 2.248 40.703 38.460 -0.008 0.000 1.201 329 Y HN 0.412 nan 8.280 nan 0.000 0.458 330 T N 4.839 119.390 114.554 -0.005 0.000 2.937 330 T HA 0.616 4.965 4.350 -0.001 0.000 0.297 330 T C -1.119 173.503 174.700 -0.129 0.000 0.991 330 T CA -0.533 61.519 62.100 -0.080 0.000 0.990 330 T CB 0.680 69.482 68.868 -0.109 0.000 0.991 330 T HN 0.223 nan 8.240 nan 0.000 0.440 331 L N 2.768 123.885 121.223 -0.176 0.000 2.309 331 L HA 0.579 4.919 4.340 -0.001 0.000 0.261 331 L C 0.318 177.015 176.870 -0.287 0.000 1.021 331 L CA -0.946 53.727 54.840 -0.279 0.000 0.823 331 L CB 1.391 43.211 42.059 -0.398 0.000 1.366 331 L HN 0.489 nan 8.230 nan 0.000 0.423 332 N N 1.218 119.715 118.700 -0.338 0.000 2.442 332 N HA 0.066 4.806 4.740 -0.001 0.000 0.265 332 N C 0.826 176.128 175.510 -0.348 0.000 1.138 332 N CA -0.155 52.723 53.050 -0.286 0.000 0.956 332 N CB 1.009 39.338 38.487 -0.264 0.000 1.067 332 N HN 0.683 nan 8.380 nan 0.000 0.474 333 R N 2.846 123.228 120.500 -0.197 0.000 2.316 333 R HA 0.038 4.377 4.340 -0.001 0.000 0.202 333 R C 0.662 177.127 176.300 0.275 0.000 1.029 333 R CA 0.886 56.986 56.100 -0.000 0.000 1.018 333 R CB 0.086 30.256 30.300 -0.217 0.000 0.888 333 R HN 0.573 nan 8.270 nan 0.000 0.471 334 E N 1.499 121.732 120.200 0.054 0.000 2.060 334 E HA -0.088 4.262 4.350 -0.001 0.000 0.189 334 E C 1.047 177.684 176.600 0.062 0.000 0.974 334 E CA 1.395 57.866 56.400 0.118 0.000 0.808 334 E CB 0.050 29.762 29.700 0.021 0.000 0.768 334 E HN 0.759 nan 8.360 nan 0.000 0.453 335 N N -1.543 117.008 118.700 -0.248 0.000 2.181 335 N HA 0.107 4.847 4.740 -0.001 0.000 0.207 335 N C 1.108 176.095 175.510 -0.872 0.000 1.182 335 N CA 0.472 53.297 53.050 -0.375 0.000 0.893 335 N CB 1.565 39.912 38.487 -0.232 0.000 1.032 335 N HN 0.152 nan 8.380 nan 0.000 0.513 336 G N 1.167 109.089 108.800 -1.463 0.000 2.176 336 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 336 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 336 G C -0.458 174.016 174.900 -0.709 0.000 0.979 336 G CA -0.301 43.786 45.100 -1.687 0.000 0.641 336 G HN 0.371 nan 8.290 nan 0.000 0.530 337 N N 0.125 118.517 118.700 -0.513 0.000 2.356 337 N HA 0.269 5.008 4.740 -0.001 0.000 0.252 337 N C 0.241 175.586 175.510 -0.274 0.000 1.241 337 N CA -0.033 52.834 53.050 -0.304 0.000 0.861 337 N CB 0.870 39.209 38.487 -0.246 0.000 1.075 337 N HN 0.374 nan 8.380 nan 0.000 0.461 338 L N 3.572 124.693 121.223 -0.171 0.000 2.281 338 L HA 0.280 4.619 4.340 -0.001 0.000 0.285 338 L C 0.706 177.484 176.870 -0.154 0.000 1.074 338 L CA 0.397 55.100 54.840 -0.228 0.000 0.817 338 L CB 0.260 42.179 42.059 -0.234 0.000 1.168 338 L HN 0.603 nan 8.230 nan 0.000 0.434 339 I N 4.112 124.589 120.570 -0.157 0.000 3.194 339 I HA 0.171 4.340 4.170 -0.001 0.000 0.271 339 I C -0.269 175.786 176.117 -0.103 0.000 1.150 339 I CA 0.215 61.443 61.300 -0.120 0.000 1.440 339 I CB 0.448 38.373 38.000 -0.125 0.000 1.276 339 I HN 0.274 nan 8.210 nan 0.000 0.457 340 V N 1.088 120.936 119.914 -0.110 0.000 2.709 340 V HA 0.766 4.885 4.120 -0.001 0.000 0.308 340 V C -0.689 175.319 176.094 -0.144 0.000 1.062 340 V CA -0.644 61.586 62.300 -0.117 0.000 0.901 340 V CB 1.740 33.490 31.823 -0.122 0.000 1.003 340 V HN 0.228 nan 8.190 nan 0.000 0.425 341 A N 3.274 125.983 122.820 -0.185 0.000 3.005 341 A HA 0.694 5.013 4.320 -0.001 0.000 0.308 341 A C -0.657 176.763 177.584 -0.273 0.000 1.173 341 A CA -0.501 51.346 52.037 -0.317 0.000 0.796 341 A CB 0.458 19.350 19.000 -0.180 0.000 1.325 341 A HN 0.613 nan 8.150 nan 0.000 0.467 342 E N 1.118 121.139 120.200 -0.298 0.000 2.227 342 E HA 0.342 4.692 4.350 -0.001 0.000 0.268 342 E C -0.700 175.765 176.600 -0.225 0.000 0.907 342 E CA -0.656 55.621 56.400 -0.205 0.000 0.786 342 E CB 1.889 31.500 29.700 -0.149 0.000 1.191 342 E HN 0.547 nan 8.360 nan 0.000 0.411 343 K N 0.900 121.221 120.400 -0.131 0.000 2.368 343 K HA 0.059 4.378 4.320 -0.001 0.000 0.282 343 K C 1.346 177.919 176.600 -0.046 0.000 1.035 343 K CA -0.107 56.123 56.287 -0.096 0.000 0.973 343 K CB 0.728 33.205 32.500 -0.039 0.000 0.957 343 K HN 0.292 nan 8.250 nan 0.000 0.474 344 V N -1.424 118.470 119.914 -0.034 0.000 3.217 344 V HA -0.009 4.111 4.120 -0.001 0.000 0.264 344 V C 0.496 176.715 176.094 0.209 0.000 1.135 344 V CA 0.897 63.239 62.300 0.069 0.000 1.142 344 V CB -0.362 31.464 31.823 0.005 0.000 0.754 344 V HN 0.776 nan 8.190 nan 0.000 0.484 345 D N 0.054 120.565 120.400 0.185 0.000 2.886 345 D HA 0.255 4.895 4.640 -0.001 0.000 0.216 345 D C -2.478 173.938 176.300 0.192 0.000 1.256 345 D CA -1.028 53.077 54.000 0.175 0.000 0.844 345 D CB 2.695 43.585 40.800 0.150 0.000 1.669 345 D HN -0.024 nan 8.370 nan 0.000 0.513 346 P HA -0.059 nan 4.420 nan 0.000 0.228 346 P C 1.009 178.375 177.300 0.110 0.000 1.151 346 P CA 0.458 63.620 63.100 0.102 0.000 0.770 346 P CB 0.186 31.934 31.700 0.082 0.000 0.786 347 A N 0.149 123.100 122.820 0.218 0.000 2.121 347 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 347 A C 1.232 178.825 177.584 0.015 0.000 1.154 347 A CA 0.339 52.488 52.037 0.186 0.000 0.679 347 A CB -1.139 18.078 19.000 0.362 0.000 0.795 347 A HN 0.082 nan 8.150 nan 0.000 0.458 348 V N 2.399 122.306 119.914 -0.011 0.000 2.506 348 V HA -0.048 4.071 4.120 -0.001 0.000 0.296 348 V C 0.935 176.824 176.094 -0.341 0.000 1.004 348 V CA 1.107 63.209 62.300 -0.330 0.000 1.150 348 V CB -0.308 31.323 31.823 -0.320 0.000 0.911 348 V HN 0.863 nan 8.190 nan 0.000 0.476 349 N N 3.323 121.719 118.700 -0.506 0.000 2.143 349 N HA -0.030 4.709 4.740 -0.001 0.000 0.222 349 N C 0.913 176.176 175.510 -0.411 0.000 1.264 349 N CA 0.504 53.250 53.050 -0.507 0.000 0.897 349 N CB 0.127 38.056 38.487 -0.930 0.000 1.092 349 N HN 0.435 nan 8.380 nan 0.000 0.516 350 V N -2.301 117.251 119.914 -0.603 0.000 2.594 350 V HA 0.210 4.329 4.120 -0.001 0.000 0.253 350 V C 0.341 176.288 176.094 -0.245 0.000 1.069 350 V CA 0.800 62.728 62.300 -0.620 0.000 1.082 350 V CB -1.098 29.824 31.823 -1.501 0.000 0.680 350 V HN 0.104 nan 8.190 nan 0.000 0.469 351 F N -0.910 118.933 119.950 -0.179 0.000 2.563 351 F HA 0.610 5.136 4.527 -0.001 0.000 0.316 351 F C 1.152 176.917 175.800 -0.058 0.000 1.076 351 F CA -1.383 56.566 58.000 -0.085 0.000 0.921 351 F CB 1.834 40.769 39.000 -0.108 0.000 1.209 351 F HN -0.351 nan 8.300 nan 0.000 0.462 352 K N 1.330 121.843 120.400 0.189 0.000 2.103 352 K HA -0.004 4.315 4.320 -0.001 0.000 0.204 352 K C 0.054 176.703 176.600 0.080 0.000 1.052 352 K CA 1.138 57.487 56.287 0.104 0.000 0.945 352 K CB -0.006 32.547 32.500 0.088 0.000 0.722 352 K HN 0.795 nan 8.250 nan 0.000 0.443 353 K N -2.238 118.220 120.400 0.097 0.000 2.809 353 K HA 0.242 4.562 4.320 -0.001 0.000 0.293 353 K C -1.343 175.265 176.600 0.012 0.000 1.061 353 K CA -0.777 55.540 56.287 0.051 0.000 0.837 353 K CB 0.927 33.437 32.500 0.016 0.000 1.524 353 K HN -0.260 nan 8.250 nan 0.000 0.370 354 V N 1.595 121.496 119.914 -0.022 0.000 2.370 354 V HA 0.208 4.328 4.120 -0.001 0.000 0.283 354 V C -0.670 175.411 176.094 -0.021 0.000 1.023 354 V CA -0.461 61.808 62.300 -0.052 0.000 0.857 354 V CB 1.357 33.163 31.823 -0.029 0.000 0.985 354 V HN 0.739 nan 8.190 nan 0.000 0.443 355 D N 4.196 124.588 120.400 -0.013 0.000 2.325 355 D HA 0.177 4.817 4.640 -0.001 0.000 0.251 355 D C 1.008 177.326 176.300 0.031 0.000 1.196 355 D CA -0.068 53.935 54.000 0.004 0.000 0.866 355 D CB 1.515 42.318 40.800 0.005 0.000 1.101 355 D HN 0.452 nan 8.370 nan 0.000 0.476 356 L N 3.574 124.805 121.223 0.014 0.000 2.275 356 L HA -0.129 4.210 4.340 -0.001 0.000 0.215 356 L C 2.267 179.163 176.870 0.044 0.000 1.119 356 L CA 0.853 55.705 54.840 0.020 0.000 0.790 356 L CB -0.056 41.993 42.059 -0.017 0.000 0.919 356 L HN 0.317 nan 8.230 nan 0.000 0.443 357 K N -0.430 119.981 120.400 0.018 0.000 2.099 357 K HA -0.049 4.270 4.320 -0.001 0.000 0.203 357 K C 2.157 178.762 176.600 0.008 0.000 1.047 357 K CA 1.640 57.912 56.287 -0.024 0.000 0.963 357 K CB -0.154 32.314 32.500 -0.054 0.000 0.759 357 K HN 0.334 nan 8.250 nan 0.000 0.451 358 T N -2.233 112.361 114.554 0.067 0.000 3.023 358 T HA 0.073 4.423 4.350 -0.001 0.000 0.266 358 T C 1.520 176.395 174.700 0.291 0.000 1.093 358 T CA 0.754 62.936 62.100 0.137 0.000 1.129 358 T CB -0.001 68.907 68.868 0.067 0.000 0.899 358 T HN 0.370 nan 8.240 nan 0.000 0.491 359 G N 1.547 110.502 108.800 0.257 0.000 2.155 359 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.257 359 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.257 359 G C 0.229 175.244 174.900 0.192 0.000 0.983 359 G CA 0.667 45.952 45.100 0.308 0.000 0.676 359 G HN 1.268 nan 8.290 nan 0.000 0.528 360 T N -2.619 111.977 114.554 0.070 0.000 2.916 360 T HA 0.729 5.078 4.350 -0.001 0.000 0.292 360 T C -3.249 171.370 174.700 -0.134 0.000 1.055 360 T CA -2.032 60.034 62.100 -0.057 0.000 1.009 360 T CB 3.317 72.140 68.868 -0.076 0.000 1.118 360 T HN -0.029 nan 8.240 nan 0.000 0.497 361 P HA 0.316 nan 4.420 nan 0.000 0.276 361 P C -0.683 176.443 177.300 -0.290 0.000 1.230 361 P CA -0.507 62.252 63.100 -0.567 0.000 0.776 361 P CB 0.536 31.332 31.700 -1.506 0.000 0.888 362 V N 5.523 125.349 119.914 -0.146 0.000 2.356 362 V HA 0.150 4.269 4.120 -0.001 0.000 0.258 362 V C 0.917 177.053 176.094 0.070 0.000 1.065 362 V CA -0.207 62.081 62.300 -0.019 0.000 0.935 362 V CB -0.601 31.230 31.823 0.013 0.000 1.061 362 V HN 0.471 nan 8.190 nan 0.000 0.484 363 R N 2.905 123.467 120.500 0.103 0.000 2.543 363 R HA 0.243 4.582 4.340 -0.001 0.000 0.277 363 R C -0.176 176.254 176.300 0.217 0.000 1.074 363 R CA -0.381 55.869 56.100 0.251 0.000 1.076 363 R CB 0.619 31.073 30.300 0.257 0.000 0.993 363 R HN 0.560 nan 8.270 nan 0.000 0.459 364 D N 3.227 123.790 120.400 0.271 0.000 2.427 364 D HA 0.183 4.822 4.640 -0.001 0.000 0.226 364 D C -1.802 174.624 176.300 0.210 0.000 1.076 364 D CA -2.589 51.548 54.000 0.228 0.000 0.849 364 D CB 1.686 42.668 40.800 0.304 0.000 1.052 364 D HN 0.169 nan 8.370 nan 0.000 0.515 365 P HA -0.148 nan 4.420 nan 0.000 0.218 365 P C 1.041 178.331 177.300 -0.017 0.000 1.146 365 P CA 0.818 63.953 63.100 0.058 0.000 0.813 365 P CB 0.345 32.052 31.700 0.011 0.000 0.778 366 E N -1.307 118.827 120.200 -0.111 0.000 2.204 366 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 366 E C 0.386 176.623 176.600 -0.604 0.000 0.990 366 E CA 0.800 56.956 56.400 -0.407 0.000 0.821 366 E CB -0.230 29.089 29.700 -0.634 0.000 0.750 366 E HN 0.285 nan 8.360 nan 0.000 0.477 367 F N -0.251 119.785 119.950 0.142 0.000 2.791 367 F HA 0.397 4.923 4.527 -0.001 0.000 0.308 367 F C 0.438 176.431 175.800 0.322 0.000 1.138 367 F CA -0.630 57.474 58.000 0.173 0.000 1.294 367 F CB 0.675 39.715 39.000 0.066 0.000 0.975 367 F HN -0.036 nan 8.300 nan 0.000 0.512 368 A N 0.366 123.394 122.820 0.347 0.000 2.246 368 A HA 0.724 5.043 4.320 -0.001 0.000 0.291 368 A C 0.435 178.058 177.584 0.064 0.000 1.103 368 A CA -0.043 52.162 52.037 0.281 0.000 0.844 368 A CB 0.254 19.335 19.000 0.134 0.000 1.136 368 A HN 0.223 nan 8.150 nan 0.000 0.500 369 T N -1.572 112.826 114.554 -0.260 0.000 2.908 369 T HA 0.819 5.169 4.350 -0.001 0.000 0.290 369 T C -0.638 174.002 174.700 -0.100 0.000 1.034 369 T CA -0.843 61.112 62.100 -0.241 0.000 1.010 369 T CB 1.420 69.801 68.868 -0.812 0.000 1.068 369 T HN 1.225 nan 8.240 nan 0.000 0.481 370 R N 1.198 121.751 120.500 0.088 0.000 2.753 370 R HA 0.396 4.735 4.340 -0.001 0.000 0.272 370 R C -0.903 175.499 176.300 0.171 0.000 1.034 370 R CA -1.157 54.999 56.100 0.094 0.000 0.869 370 R CB 0.665 30.991 30.300 0.044 0.000 1.264 370 R HN 0.467 nan 8.270 nan 0.000 0.481 371 M N 2.004 121.683 119.600 0.132 0.000 2.252 371 M HA 0.031 4.510 4.480 -0.001 0.000 0.329 371 M C -0.161 176.232 176.300 0.155 0.000 1.101 371 M CA 1.267 56.653 55.300 0.142 0.000 1.117 371 M CB -0.535 32.129 32.600 0.106 0.000 1.563 371 M HN 0.790 nan 8.290 nan 0.000 0.445 372 D N 1.644 122.139 120.400 0.157 0.000 2.689 372 D HA -0.233 4.406 4.640 -0.001 0.000 0.237 372 D C -0.424 176.001 176.300 0.207 0.000 1.148 372 D CA 1.105 55.194 54.000 0.147 0.000 0.656 372 D CB -1.423 39.443 40.800 0.110 0.000 1.050 372 D HN 0.786 nan 8.370 nan 0.000 0.426 373 H N -0.484 118.645 119.070 0.099 0.000 3.140 373 H HA 0.356 4.912 4.556 -0.001 0.000 0.336 373 H C -1.439 173.970 175.328 0.135 0.000 1.142 373 H CA -0.794 55.311 56.048 0.095 0.000 1.308 373 H CB 1.219 31.025 29.762 0.073 0.000 1.970 373 H HN -0.029 nan 8.280 nan 0.000 0.521 374 K N 3.863 123.943 120.400 -0.533 0.000 2.334 374 K HA 0.505 4.824 4.320 -0.001 0.000 0.265 374 K C -0.235 176.065 176.600 -0.499 0.000 1.039 374 K CA -0.574 55.535 56.287 -0.297 0.000 0.920 374 K CB 0.669 33.112 32.500 -0.095 0.000 1.160 374 K HN 0.757 nan 8.250 nan 0.000 0.451 375 G N 2.212 110.908 108.800 -0.172 0.000 2.432 375 G HA2 0.275 4.234 3.960 -0.001 0.000 0.257 375 G HA3 0.275 4.234 3.960 -0.001 0.000 0.257 375 G C -0.352 174.646 174.900 0.164 0.000 1.238 375 G CA -0.285 44.848 45.100 0.054 0.000 0.838 375 G HN 0.644 nan 8.290 nan 0.000 0.547 376 T N -0.861 113.817 114.554 0.206 0.000 2.907 376 T HA 0.423 4.773 4.350 -0.001 0.000 0.292 376 T C 0.241 175.176 174.700 0.392 0.000 1.043 376 T CA -0.912 61.349 62.100 0.269 0.000 1.003 376 T CB 1.636 70.614 68.868 0.183 0.000 1.084 376 T HN 0.565 nan 8.240 nan 0.000 0.483 377 N N 0.430 119.383 118.700 0.422 0.000 2.727 377 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 377 N C -0.610 175.076 175.510 0.293 0.000 1.048 377 N CA 0.432 53.727 53.050 0.407 0.000 0.714 377 N CB -1.174 37.520 38.487 0.344 0.000 0.959 377 N HN 0.742 nan 8.380 nan 0.000 0.544 378 I N 0.608 121.339 120.570 0.268 0.000 2.371 378 I HA 0.130 4.300 4.170 -0.001 0.000 0.290 378 I C 0.581 176.640 176.117 -0.097 0.000 1.028 378 I CA -0.203 61.166 61.300 0.115 0.000 1.345 378 I CB 0.987 39.123 38.000 0.226 0.000 1.407 378 I HN 0.072 nan 8.210 nan 0.000 0.501 379 c N 7.256 125.664 118.600 -0.320 0.000 2.441 379 c HA 0.492 5.062 4.570 -0.001 0.000 0.318 379 c C -2.307 171.350 174.090 -0.722 0.000 1.222 379 c CA -1.366 54.700 56.329 -0.437 0.000 1.474 379 c CB 1.725 44.035 42.510 -0.333 0.000 2.125 379 c HN 0.454 nan 8.230 nan 0.000 0.479 380 P HA 0.281 nan 4.420 nan 0.000 0.277 380 P C -0.169 177.077 177.300 -0.089 0.000 1.271 380 P CA -0.120 62.498 63.100 -0.804 0.000 0.795 380 P CB 0.589 31.662 31.700 -1.045 0.000 1.101 381 S N -0.315 115.418 115.700 0.054 0.000 2.661 381 S HA 0.401 4.871 4.470 -0.001 0.000 0.265 381 S C 1.406 176.206 174.600 0.333 0.000 1.225 381 S CA 0.113 58.410 58.200 0.161 0.000 0.986 381 S CB -0.114 63.136 63.200 0.083 0.000 1.008 381 S HN 0.440 nan 8.310 nan 0.000 0.565 382 A N 0.299 123.328 122.820 0.348 0.000 2.019 382 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 382 A C 2.139 180.023 177.584 0.501 0.000 1.164 382 A CA 1.340 53.633 52.037 0.426 0.000 0.644 382 A CB -1.006 18.305 19.000 0.520 0.000 0.805 382 A HN 0.829 nan 8.150 nan 0.000 0.449 383 M N -0.770 118.980 119.600 0.249 0.000 2.557 383 M HA 0.137 4.617 4.480 -0.001 0.000 0.259 383 M C 1.212 177.765 176.300 0.422 0.000 1.086 383 M CA 0.702 56.154 55.300 0.254 0.000 1.096 383 M CB -0.584 32.038 32.600 0.037 0.000 1.424 383 M HN 0.591 nan 8.290 nan 0.000 0.488 384 G N 0.241 109.265 108.800 0.373 0.000 2.860 384 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.553 384 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.553 384 G C -0.331 174.785 174.900 0.360 0.000 1.439 384 G CA -0.777 44.483 45.100 0.266 0.000 0.879 384 G HN 0.256 nan 8.290 nan 0.000 0.545 385 F N 1.235 121.184 119.950 -0.002 0.000 2.765 385 F HA 0.318 4.844 4.527 -0.001 0.000 0.302 385 F C 1.297 177.141 175.800 0.074 0.000 1.111 385 F CA 0.722 58.737 58.000 0.025 0.000 1.359 385 F CB -0.108 38.868 39.000 -0.040 0.000 1.097 385 F HN 0.649 nan 8.300 nan 0.000 0.577 386 H N -0.389 118.764 119.070 0.138 0.000 3.129 386 H HA 0.236 4.792 4.556 -0.001 0.000 0.342 386 H C -1.091 174.226 175.328 -0.019 0.000 1.092 386 H CA -0.333 55.729 56.048 0.024 0.000 1.310 386 H CB 1.541 31.283 29.762 -0.034 0.000 1.932 386 H HN -0.033 nan 8.280 nan 0.000 0.507 387 N N 1.054 119.773 118.700 0.032 0.000 3.384 387 N HA -0.032 4.708 4.740 -0.001 0.000 0.352 387 N C 0.782 176.330 175.510 0.063 0.000 1.466 387 N CA 0.102 53.118 53.050 -0.056 0.000 0.629 387 N CB 0.881 38.944 38.487 -0.707 0.000 1.810 387 N HN 0.669 nan 8.380 nan 0.000 0.575 388 Q N 0.062 119.854 119.800 -0.013 0.000 2.561 388 Q HA 0.181 4.521 4.340 -0.001 0.000 0.217 388 Q C 0.643 176.863 176.000 0.367 0.000 0.980 388 Q CA 0.464 56.440 55.803 0.288 0.000 0.927 388 Q CB -0.878 28.132 28.738 0.453 0.000 0.980 388 Q HN 0.458 nan 8.270 nan 0.000 0.525 389 G N 0.152 109.006 108.800 0.091 0.000 2.491 389 G HA2 0.354 4.314 3.960 -0.001 0.000 0.238 389 G HA3 0.354 4.314 3.960 -0.001 0.000 0.238 389 G C -0.876 174.081 174.900 0.095 0.000 1.277 389 G CA -0.562 44.590 45.100 0.086 0.000 0.851 389 G HN 0.171 nan 8.290 nan 0.000 0.573 390 V N 3.615 123.461 119.914 -0.112 0.000 2.328 390 V HA 0.201 4.321 4.120 -0.001 0.000 0.278 390 V C -0.347 175.683 176.094 -0.106 0.000 1.021 390 V CA -0.798 61.292 62.300 -0.350 0.000 0.838 390 V CB 1.127 32.435 31.823 -0.858 0.000 0.999 390 V HN 0.685 nan 8.190 nan 0.000 0.447 391 D N 2.548 122.986 120.400 0.064 0.000 2.423 391 D HA 0.548 5.187 4.640 -0.001 0.000 0.255 391 D C 0.252 176.750 176.300 0.329 0.000 1.174 391 D CA -0.048 54.084 54.000 0.220 0.000 1.008 391 D CB 1.770 42.710 40.800 0.233 0.000 1.101 391 D HN 0.630 nan 8.370 nan 0.000 0.516 392 S N -0.628 115.332 115.700 0.433 0.000 2.600 392 S HA 0.585 5.055 4.470 -0.001 0.000 0.300 392 S C -1.197 173.682 174.600 0.466 0.000 1.087 392 S CA -0.877 57.640 58.200 0.528 0.000 0.965 392 S CB 1.700 65.282 63.200 0.637 0.000 1.089 392 S HN 0.468 nan 8.310 nan 0.000 0.496 393 Y N 1.207 121.676 120.300 0.282 0.000 2.391 393 Y HA 0.541 5.090 4.550 -0.001 0.000 0.341 393 Y C -1.323 174.634 175.900 0.095 0.000 0.965 393 Y CA -0.885 57.275 58.100 0.101 0.000 1.067 393 Y CB 1.710 40.224 38.460 0.089 0.000 1.199 393 Y HN 0.866 nan 8.280 nan 0.000 0.450 394 D N 8.426 128.402 120.400 -0.706 0.000 2.359 394 D HA 0.311 4.951 4.640 -0.001 0.000 0.230 394 D C -1.970 173.778 176.300 -0.920 0.000 1.118 394 D CA -2.678 50.837 54.000 -0.808 0.000 0.844 394 D CB 1.824 42.010 40.800 -1.023 0.000 1.059 394 D HN 0.363 nan 8.370 nan 0.000 0.493 395 P HA -0.115 nan 4.420 nan 0.000 0.223 395 P C 0.725 177.946 177.300 -0.131 0.000 1.151 395 P CA 0.890 63.840 63.100 -0.251 0.000 0.787 395 P CB 0.648 32.403 31.700 0.091 0.000 0.788 396 E N 0.554 120.689 120.200 -0.107 0.000 2.021 396 E HA -0.079 4.271 4.350 -0.001 0.000 0.189 396 E C 2.191 178.753 176.600 -0.064 0.000 0.980 396 E CA 1.714 58.093 56.400 -0.035 0.000 0.803 396 E CB -0.286 29.428 29.700 0.023 0.000 0.766 396 E HN 0.304 nan 8.360 nan 0.000 0.449 397 S N 0.112 115.744 115.700 -0.112 0.000 2.562 397 S HA 0.037 4.506 4.470 -0.001 0.000 0.221 397 S C 0.501 175.022 174.600 -0.133 0.000 0.975 397 S CA -0.161 57.988 58.200 -0.085 0.000 0.918 397 S CB -0.062 63.111 63.200 -0.045 0.000 0.772 397 S HN 0.161 nan 8.310 nan 0.000 0.531 398 R N 0.961 121.310 120.500 -0.251 0.000 3.152 398 R HA -0.097 4.242 4.340 -0.001 0.000 0.252 398 R C -1.102 175.096 176.300 -0.169 0.000 0.930 398 R CA 0.890 56.863 56.100 -0.212 0.000 0.642 398 R CB -2.736 27.586 30.300 0.035 0.000 1.205 398 R HN 0.498 nan 8.270 nan 0.000 0.452 399 T N 0.933 115.228 114.554 -0.431 0.000 2.886 399 T HA 0.527 4.877 4.350 -0.001 0.000 0.292 399 T C -0.546 173.796 174.700 -0.598 0.000 1.012 399 T CA -0.777 61.054 62.100 -0.449 0.000 0.982 399 T CB 2.230 70.760 68.868 -0.563 0.000 1.018 399 T HN 0.248 nan 8.240 nan 0.000 0.451 400 L N 3.223 124.213 121.223 -0.388 0.000 2.307 400 L HA 0.583 4.923 4.340 -0.001 0.000 0.284 400 L C -1.555 175.015 176.870 -0.500 0.000 1.023 400 L CA -0.565 54.124 54.840 -0.252 0.000 0.810 400 L CB 0.532 42.605 42.059 0.024 0.000 1.231 400 L HN 0.611 nan 8.230 nan 0.000 0.423 401 Y N 4.832 125.160 120.300 0.047 0.000 2.504 401 Y HA 0.643 5.193 4.550 -0.001 0.000 0.339 401 Y C 0.516 176.439 175.900 0.039 0.000 0.974 401 Y CA -0.642 57.432 58.100 -0.043 0.000 1.232 401 Y CB 0.896 39.389 38.460 0.056 0.000 1.108 401 Y HN 0.681 nan 8.280 nan 0.000 0.509 402 A N 2.252 125.132 122.820 0.100 0.000 2.301 402 A HA 0.691 5.011 4.320 -0.001 0.000 0.298 402 A C 0.614 178.209 177.584 0.017 0.000 1.185 402 A CA -0.385 51.739 52.037 0.144 0.000 0.830 402 A CB 0.292 19.454 19.000 0.270 0.000 1.112 402 A HN 0.869 nan 8.150 nan 0.000 0.508 403 G N 2.201 110.979 108.800 -0.038 0.000 2.393 403 G HA2 0.520 4.480 3.960 -0.001 0.000 0.311 403 G HA3 0.520 4.480 3.960 -0.001 0.000 0.311 403 G C -0.315 174.430 174.900 -0.258 0.000 1.067 403 G CA -0.285 44.736 45.100 -0.133 0.000 1.000 403 G HN 0.646 nan 8.290 nan 0.000 0.422 404 L N 1.857 122.984 121.223 -0.159 0.000 2.332 404 L HA 0.490 4.830 4.340 -0.001 0.000 0.269 404 L C 0.106 176.958 176.870 -0.029 0.000 1.016 404 L CA -1.080 53.685 54.840 -0.124 0.000 0.809 404 L CB 1.949 43.944 42.059 -0.108 0.000 1.280 404 L HN 0.462 nan 8.230 nan 0.000 0.447 405 N N -1.286 117.440 118.700 0.043 0.000 2.319 405 N HA 0.379 5.118 4.740 -0.001 0.000 0.305 405 N C -1.240 174.271 175.510 0.001 0.000 1.103 405 N CA -0.697 52.457 53.050 0.173 0.000 0.815 405 N CB 1.666 40.364 38.487 0.352 0.000 1.288 405 N HN 0.486 nan 8.380 nan 0.000 0.493 406 H N 1.859 120.880 119.070 -0.081 0.000 2.423 406 H HA 0.492 5.047 4.556 -0.001 0.000 0.237 406 H C -1.472 173.883 175.328 0.046 0.000 1.391 406 H CA -0.305 55.587 56.048 -0.260 0.000 1.453 406 H CB -0.140 29.584 29.762 -0.063 0.000 1.484 406 H HN 0.453 nan 8.280 nan 0.000 0.505 407 I N 3.090 123.723 120.570 0.105 0.000 2.569 407 I HA 0.323 4.493 4.170 -0.001 0.000 0.290 407 I C -0.447 175.740 176.117 0.116 0.000 1.088 407 I CA -0.616 60.739 61.300 0.091 0.000 1.047 407 I CB 1.783 39.855 38.000 0.121 0.000 1.237 407 I HN 0.446 nan 8.210 nan 0.000 0.421 408 c N 5.386 123.927 118.600 -0.099 0.000 2.803 408 c HA 0.886 5.455 4.570 -0.001 0.000 0.389 408 c C -0.073 173.686 174.090 -0.551 0.000 1.433 408 c CA -0.573 55.650 56.329 -0.177 0.000 1.714 408 c CB 1.835 44.327 42.510 -0.031 0.000 2.106 408 c HN 0.893 nan 8.230 nan 0.000 0.480 409 M N -0.038 119.356 119.600 -0.344 0.000 2.880 409 M HA 0.619 5.098 4.480 -0.001 0.000 0.269 409 M C -2.525 173.873 176.300 0.165 0.000 1.248 409 M CA -0.312 54.824 55.300 -0.272 0.000 0.821 409 M CB 1.814 34.432 32.600 0.031 0.000 1.650 409 M HN 0.361 nan 8.290 nan 0.000 0.479 410 D N 0.990 121.558 120.400 0.280 0.000 2.252 410 D HA 0.654 5.293 4.640 -0.001 0.000 0.245 410 D C -1.869 174.670 176.300 0.399 0.000 1.009 410 D CA 0.412 54.621 54.000 0.349 0.000 0.870 410 D CB 2.250 43.246 40.800 0.327 0.000 1.251 410 D HN 0.635 nan 8.370 nan 0.000 0.460 411 W N 2.203 123.587 121.300 0.141 0.000 3.439 411 W HA 0.348 5.008 4.660 -0.001 0.000 0.323 411 W C -1.790 174.786 176.519 0.094 0.000 1.174 411 W CA -0.608 56.819 57.345 0.137 0.000 1.224 411 W CB 1.175 30.722 29.460 0.146 0.000 1.348 411 W HN 0.425 nan 8.180 nan 0.000 0.498 412 E N 8.066 128.438 120.200 0.287 0.000 2.260 412 E HA 0.487 4.836 4.350 -0.001 0.000 0.266 412 E C -2.604 174.082 176.600 0.144 0.000 0.887 412 E CA -1.879 54.686 56.400 0.276 0.000 0.777 412 E CB 3.272 33.072 29.700 0.167 0.000 1.205 412 E HN 0.006 nan 8.360 nan 0.000 0.414 413 P HA 0.411 nan 4.420 nan 0.000 0.281 413 P C -1.039 176.354 177.300 0.155 0.000 1.281 413 P CA -0.457 62.681 63.100 0.064 0.000 0.811 413 P CB 0.672 32.485 31.700 0.188 0.000 1.154 414 F N -2.825 117.134 119.950 0.014 0.000 2.678 414 F HA 0.492 5.019 4.527 -0.001 0.000 0.308 414 F C -0.776 175.032 175.800 0.014 0.000 1.118 414 F CA -1.563 56.446 58.000 0.014 0.000 0.959 414 F CB 0.480 39.474 39.000 -0.009 0.000 1.305 414 F HN -0.037 nan 8.300 nan 0.000 0.443 415 M N 4.073 123.820 119.600 0.246 0.000 2.245 415 M HA 0.584 5.063 4.480 -0.001 0.000 0.344 415 M C -0.356 176.082 176.300 0.230 0.000 1.170 415 M CA -0.194 55.205 55.300 0.164 0.000 1.135 415 M CB 0.648 33.337 32.600 0.149 0.000 1.574 415 M HN 0.864 nan 8.290 nan 0.000 0.452 416 L N 2.049 123.373 121.223 0.169 0.000 2.653 416 L HA 0.814 5.154 4.340 -0.001 0.000 0.257 416 L C -2.920 174.116 176.870 0.276 0.000 0.969 416 L CA -1.512 53.458 54.840 0.217 0.000 0.869 416 L CB 2.290 44.470 42.059 0.201 0.000 1.439 416 L HN 0.437 nan 8.230 nan 0.000 0.414 417 P HA 0.270 nan 4.420 nan 0.000 0.281 417 P C -1.872 175.548 177.300 0.200 0.000 1.264 417 P CA -0.239 62.983 63.100 0.203 0.000 0.824 417 P CB 1.239 32.996 31.700 0.095 0.000 1.092 418 Y N 1.451 121.676 120.300 -0.125 0.000 2.328 418 Y HA 0.512 5.061 4.550 -0.001 0.000 0.337 418 Y C -0.079 175.660 175.900 -0.269 0.000 1.008 418 Y CA -0.736 57.071 58.100 -0.489 0.000 1.129 418 Y CB 1.179 39.082 38.460 -0.928 0.000 1.185 418 Y HN 0.353 nan 8.280 nan 0.000 0.476 419 R N 5.125 124.992 120.500 -1.056 0.000 2.518 419 R HA 0.672 5.011 4.340 -0.001 0.000 0.296 419 R C -1.183 174.526 176.300 -0.985 0.000 1.080 419 R CA -0.719 54.897 56.100 -0.808 0.000 0.922 419 R CB 0.940 31.023 30.300 -0.362 0.000 1.184 419 R HN 0.923 nan 8.270 nan 0.000 0.445 420 A N 2.323 124.568 122.820 -0.958 0.000 2.580 420 A HA 0.351 4.671 4.320 -0.001 0.000 0.244 420 A C 1.320 178.717 177.584 -0.311 0.000 1.045 420 A CA 1.395 53.127 52.037 -0.508 0.000 0.761 420 A CB -0.306 18.586 19.000 -0.180 0.000 0.962 420 A HN 1.248 nan 8.150 nan 0.000 0.512 421 G N 1.464 110.116 108.800 -0.246 0.000 2.232 421 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.226 421 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.226 421 G C 0.165 174.928 174.900 -0.229 0.000 0.996 421 G CA 0.367 45.348 45.100 -0.198 0.000 0.626 421 G HN 0.917 nan 8.290 nan 0.000 0.509 422 Q N -0.628 119.020 119.800 -0.254 0.000 2.297 422 Q HA 0.676 5.016 4.340 -0.001 0.000 0.268 422 Q C -0.431 175.467 176.000 -0.170 0.000 1.045 422 Q CA -0.980 54.717 55.803 -0.176 0.000 0.861 422 Q CB 1.457 30.128 28.738 -0.111 0.000 1.344 422 Q HN 0.161 nan 8.270 nan 0.000 0.452 423 F N 0.937 120.863 119.950 -0.040 0.000 2.545 423 F HA 0.028 4.554 4.527 -0.001 0.000 0.348 423 F C 0.447 176.316 175.800 0.115 0.000 1.163 423 F CA 0.522 58.519 58.000 -0.006 0.000 1.331 423 F CB 0.310 39.257 39.000 -0.088 0.000 1.138 423 F HN 0.423 nan 8.300 nan 0.000 0.602 424 F N 3.259 123.268 119.950 0.098 0.000 2.627 424 F HA 0.389 4.915 4.527 -0.001 0.000 0.344 424 F C -0.336 175.448 175.800 -0.027 0.000 1.505 424 F CA -0.621 57.421 58.000 0.070 0.000 1.111 424 F CB -0.406 38.704 39.000 0.184 0.000 1.585 424 F HN 0.173 nan 8.300 nan 0.000 0.582 425 V N 1.130 120.887 119.914 -0.261 0.000 2.423 425 V HA 0.307 4.427 4.120 -0.001 0.000 0.233 425 V C 1.729 177.430 176.094 -0.655 0.000 1.067 425 V CA 1.135 63.040 62.300 -0.658 0.000 1.073 425 V CB -0.999 30.286 31.823 -0.897 0.000 0.715 425 V HN 0.727 nan 8.190 nan 0.000 0.485 426 G N 0.272 108.620 108.800 -0.754 0.000 2.212 426 G HA2 0.179 4.139 3.960 -0.001 0.000 0.255 426 G HA3 0.179 4.139 3.960 -0.001 0.000 0.255 426 G C -0.091 174.054 174.900 -1.259 0.000 1.062 426 G CA 0.370 44.749 45.100 -1.202 0.000 0.815 426 G HN 1.441 nan 8.290 nan 0.000 0.497 427 A N -1.166 121.049 122.820 -1.009 0.000 2.589 427 A HA 0.887 5.206 4.320 -0.001 0.000 0.296 427 A C -0.314 177.087 177.584 -0.304 0.000 1.062 427 A CA 0.248 51.894 52.037 -0.653 0.000 0.686 427 A CB 1.450 19.897 19.000 -0.922 0.000 1.282 427 A HN 0.932 nan 8.150 nan 0.000 0.404 428 T N 1.963 116.439 114.554 -0.130 0.000 2.792 428 T HA 0.632 4.981 4.350 -0.001 0.000 0.280 428 T C -0.815 173.851 174.700 -0.057 0.000 0.990 428 T CA -0.125 61.969 62.100 -0.011 0.000 0.960 428 T CB 0.598 69.523 68.868 0.094 0.000 0.939 428 T HN 0.428 nan 8.240 nan 0.000 0.439 429 L N 2.152 123.384 121.223 0.015 0.000 2.301 429 L HA 0.918 5.257 4.340 -0.001 0.000 0.264 429 L C -0.264 176.698 176.870 0.153 0.000 1.016 429 L CA -0.889 54.024 54.840 0.121 0.000 0.821 429 L CB 1.721 43.900 42.059 0.200 0.000 1.346 429 L HN 0.761 nan 8.230 nan 0.000 0.429 430 A N 2.199 125.132 122.820 0.188 0.000 2.353 430 A HA 0.883 5.203 4.320 -0.001 0.000 0.299 430 A C -0.966 176.691 177.584 0.122 0.000 1.089 430 A CA -0.417 51.741 52.037 0.202 0.000 0.736 430 A CB 1.080 20.244 19.000 0.273 0.000 1.195 430 A HN 0.628 nan 8.150 nan 0.000 0.447 431 M N 2.214 121.850 119.600 0.061 0.000 2.535 431 M HA 0.700 5.180 4.480 -0.001 0.000 0.314 431 M C -1.099 175.144 176.300 -0.096 0.000 1.153 431 M CA -0.551 54.640 55.300 -0.181 0.000 0.924 431 M CB 2.119 34.681 32.600 -0.065 0.000 1.710 431 M HN 0.825 nan 8.290 nan 0.000 0.451 432 Y N -0.509 119.816 120.300 0.042 0.000 2.689 432 Y HA 0.709 5.258 4.550 -0.001 0.000 0.333 432 Y C -3.167 172.725 175.900 -0.013 0.000 1.208 432 Y CA -3.137 54.962 58.100 -0.001 0.000 1.055 432 Y CB -0.431 38.040 38.460 0.018 0.000 1.304 432 Y HN 0.384 nan 8.280 nan 0.000 0.455 433 P HA 0.177 nan 4.420 nan 0.000 0.267 433 P C 0.332 177.716 177.300 0.140 0.000 1.200 433 P CA 0.630 63.796 63.100 0.110 0.000 0.772 433 P CB 0.640 32.384 31.700 0.073 0.000 0.855 434 G N 3.206 111.986 108.800 -0.034 0.000 2.684 434 G HA2 0.152 4.111 3.960 -0.001 0.000 0.255 434 G HA3 0.152 4.111 3.960 -0.001 0.000 0.255 434 G C -1.516 173.435 174.900 0.085 0.000 1.219 434 G CA -0.817 44.112 45.100 -0.286 0.000 0.901 434 G HN 0.367 nan 8.290 nan 0.000 0.548 435 P HA 0.023 nan 4.420 nan 0.000 0.245 435 P C 0.484 177.896 177.300 0.186 0.000 1.206 435 P CA 0.437 63.639 63.100 0.169 0.000 0.781 435 P CB 0.476 32.250 31.700 0.124 0.000 0.994 436 N N -0.005 118.935 118.700 0.401 0.000 2.236 436 N HA 0.081 4.821 4.740 -0.001 0.000 0.196 436 N C 1.187 176.447 175.510 -0.417 0.000 1.114 436 N CA 0.167 53.259 53.050 0.071 0.000 0.859 436 N CB 0.095 38.684 38.487 0.169 0.000 0.982 436 N HN 0.105 nan 8.380 nan 0.000 0.493 437 G N 1.741 110.188 108.800 -0.590 0.000 2.554 437 G HA2 0.130 4.090 3.960 -0.001 0.000 0.238 437 G HA3 0.130 4.090 3.960 -0.001 0.000 0.238 437 G C -1.389 172.994 174.900 -0.862 0.000 1.259 437 G CA -0.708 43.618 45.100 -1.290 0.000 0.843 437 G HN -0.026 nan 8.290 nan 0.000 0.582 438 P HA -0.127 nan 4.420 nan 0.000 0.217 438 P C 1.762 178.870 177.300 -0.320 0.000 1.151 438 P CA 2.306 65.090 63.100 -0.526 0.000 0.849 438 P CB 0.224 31.642 31.700 -0.470 0.000 0.787 439 T N -5.973 108.404 114.554 -0.296 0.000 3.132 439 T HA 0.304 4.654 4.350 -0.001 0.000 0.274 439 T C 0.538 175.144 174.700 -0.157 0.000 1.011 439 T CA -0.525 61.464 62.100 -0.185 0.000 0.899 439 T CB -0.566 68.213 68.868 -0.148 0.000 1.089 439 T HN 0.012 nan 8.240 nan 0.000 0.543 440 K N 0.393 120.679 120.400 -0.190 0.000 3.274 440 K HA -0.178 4.141 4.320 -0.001 0.000 0.300 440 K C 0.698 177.256 176.600 -0.070 0.000 1.230 440 K CA 0.871 57.091 56.287 -0.111 0.000 0.884 440 K CB -0.773 31.686 32.500 -0.068 0.000 1.242 440 K HN 0.284 nan 8.250 nan 0.000 0.467 441 K N 0.431 120.768 120.400 -0.105 0.000 2.464 441 K HA 0.088 4.408 4.320 -0.001 0.000 0.206 441 K C -0.081 176.465 176.600 -0.091 0.000 1.186 441 K CA 0.271 56.507 56.287 -0.084 0.000 0.990 441 K CB 0.563 33.002 32.500 -0.102 0.000 1.003 441 K HN 0.155 nan 8.250 nan 0.000 0.562 442 E N 1.065 121.206 120.200 -0.097 0.000 2.384 442 E HA 0.086 4.435 4.350 -0.001 0.000 0.266 442 E C 0.673 177.367 176.600 0.156 0.000 1.012 442 E CA 0.538 56.935 56.400 -0.005 0.000 0.901 442 E CB 0.493 30.214 29.700 0.034 0.000 0.967 442 E HN 0.027 nan 8.360 nan 0.000 0.435 443 M N 1.402 121.083 119.600 0.135 0.000 2.347 443 M HA 0.276 4.756 4.480 -0.001 0.000 0.302 443 M C 0.410 176.861 176.300 0.252 0.000 1.051 443 M CA -0.074 55.341 55.300 0.193 0.000 0.988 443 M CB 1.123 33.754 32.600 0.052 0.000 1.475 443 M HN 0.492 nan 8.290 nan 0.000 0.530 444 G N 0.633 109.578 108.800 0.242 0.000 2.563 444 G HA2 0.782 4.741 3.960 -0.001 0.000 0.302 444 G HA3 0.782 4.741 3.960 -0.001 0.000 0.302 444 G C -1.435 173.452 174.900 -0.021 0.000 1.301 444 G CA -0.266 44.929 45.100 0.158 0.000 0.965 444 G HN 0.202 nan 8.290 nan 0.000 0.480 445 Q N -0.082 119.609 119.800 -0.181 0.000 2.377 445 Q HA 0.428 4.767 4.340 -0.001 0.000 0.279 445 Q C -1.304 174.520 176.000 -0.294 0.000 1.049 445 Q CA -0.846 54.709 55.803 -0.414 0.000 0.825 445 Q CB 2.994 31.285 28.738 -0.745 0.000 1.401 445 Q HN 0.364 nan 8.270 nan 0.000 0.404 446 I N 2.100 122.499 120.570 -0.284 0.000 2.382 446 I HA 0.445 4.615 4.170 -0.001 0.000 0.285 446 I C -0.584 175.385 176.117 -0.247 0.000 1.007 446 I CA -0.237 60.927 61.300 -0.226 0.000 1.142 446 I CB 1.272 39.151 38.000 -0.200 0.000 1.289 446 I HN 0.561 nan 8.210 nan 0.000 0.453 447 R N 4.642 124.921 120.500 -0.369 0.000 2.513 447 R HA 0.764 5.103 4.340 -0.001 0.000 0.301 447 R C -0.828 174.943 176.300 -0.882 0.000 0.968 447 R CA -0.479 55.231 56.100 -0.651 0.000 0.872 447 R CB 1.865 31.801 30.300 -0.605 0.000 1.177 447 R HN 0.712 nan 8.270 nan 0.000 0.444 448 A N 4.325 126.346 122.820 -1.330 0.000 2.331 448 A HA 0.601 4.920 4.320 -0.001 0.000 0.283 448 A C -1.161 175.816 177.584 -1.011 0.000 1.142 448 A CA -0.099 51.230 52.037 -1.180 0.000 0.812 448 A CB 0.225 18.246 19.000 -1.633 0.000 1.074 448 A HN 0.599 nan 8.150 nan 0.000 0.497 449 F N 0.375 120.052 119.950 -0.456 0.000 2.588 449 F HA 0.352 4.879 4.527 -0.001 0.000 0.314 449 F C 0.001 175.662 175.800 -0.231 0.000 1.069 449 F CA -0.696 57.130 58.000 -0.291 0.000 0.931 449 F CB 2.069 40.937 39.000 -0.221 0.000 1.260 449 F HN 0.575 nan 8.300 nan 0.000 0.465 450 D N 2.645 123.088 120.400 0.071 0.000 2.317 450 D HA 0.242 4.881 4.640 -0.001 0.000 0.234 450 D C 0.620 176.939 176.300 0.031 0.000 1.112 450 D CA -0.050 53.963 54.000 0.021 0.000 0.840 450 D CB 1.273 42.076 40.800 0.004 0.000 1.078 450 D HN 0.567 nan 8.370 nan 0.000 0.486 451 L N 2.885 124.116 121.223 0.014 0.000 2.465 451 L HA -0.072 4.268 4.340 -0.001 0.000 0.224 451 L C 2.293 179.128 176.870 -0.058 0.000 1.145 451 L CA 0.995 55.809 54.840 -0.043 0.000 0.834 451 L CB -0.288 41.732 42.059 -0.066 0.000 0.944 451 L HN 0.497 nan 8.230 nan 0.000 0.451 452 T N -5.359 109.175 114.554 -0.034 0.000 3.081 452 T HA -0.039 4.311 4.350 -0.001 0.000 0.255 452 T C 1.545 176.218 174.700 -0.045 0.000 1.113 452 T CA 1.008 63.082 62.100 -0.043 0.000 1.082 452 T CB -0.080 68.772 68.868 -0.027 0.000 0.939 452 T HN 0.393 nan 8.240 nan 0.000 0.506 453 T N -3.625 110.908 114.554 -0.035 0.000 2.954 453 T HA 0.498 4.847 4.350 -0.001 0.000 0.252 453 T C 1.887 176.564 174.700 -0.038 0.000 0.983 453 T CA 0.685 62.765 62.100 -0.033 0.000 0.941 453 T CB -0.099 68.760 68.868 -0.015 0.000 1.141 453 T HN 0.882 nan 8.240 nan 0.000 0.500 454 G N 2.085 110.864 108.800 -0.036 0.000 2.159 454 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.256 454 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.256 454 G C -0.067 174.888 174.900 0.092 0.000 0.977 454 G CA 0.068 45.133 45.100 -0.058 0.000 0.652 454 G HN 0.607 nan 8.290 nan 0.000 0.531 455 K N 0.708 121.174 120.400 0.109 0.000 2.205 455 K HA 0.704 5.024 4.320 -0.001 0.000 0.279 455 K C 0.664 177.327 176.600 0.105 0.000 1.027 455 K CA 0.261 56.615 56.287 0.111 0.000 0.932 455 K CB 1.503 34.019 32.500 0.028 0.000 1.032 455 K HN 0.617 nan 8.250 nan 0.000 0.466 456 A N 2.657 125.451 122.820 -0.043 0.000 2.371 456 A HA 0.187 4.507 4.320 -0.001 0.000 0.257 456 A C 0.731 178.136 177.584 -0.299 0.000 1.089 456 A CA -0.073 51.691 52.037 -0.456 0.000 0.794 456 A CB 0.378 19.022 19.000 -0.593 0.000 1.029 456 A HN 0.730 nan 8.150 nan 0.000 0.488 457 K N 0.762 120.921 120.400 -0.401 0.000 2.313 457 K HA 0.163 4.482 4.320 -0.001 0.000 0.197 457 K C -0.072 176.515 176.600 -0.020 0.000 1.061 457 K CA 0.671 56.844 56.287 -0.190 0.000 0.980 457 K CB 0.424 32.813 32.500 -0.185 0.000 0.888 457 K HN 0.886 nan 8.250 nan 0.000 0.502 458 W N -0.513 120.670 121.300 -0.196 0.000 2.982 458 W HA 0.395 5.055 4.660 -0.001 0.000 0.344 458 W C -1.699 174.684 176.519 -0.227 0.000 1.215 458 W CA -0.789 56.460 57.345 -0.159 0.000 1.182 458 W CB 0.652 30.058 29.460 -0.091 0.000 1.437 458 W HN -0.380 nan 8.180 nan 0.000 0.570 459 T N 2.093 116.825 114.554 0.296 0.000 2.952 459 T HA 0.380 4.730 4.350 -0.001 0.000 0.305 459 T C -1.237 173.530 174.700 0.112 0.000 1.064 459 T CA -0.720 61.410 62.100 0.051 0.000 1.008 459 T CB 2.591 71.318 68.868 -0.235 0.000 1.078 459 T HN 0.439 nan 8.240 nan 0.000 0.459 460 K N 2.190 122.610 120.400 0.033 0.000 2.413 460 K HA 0.440 4.759 4.320 -0.001 0.000 0.257 460 K C -1.411 175.130 176.600 -0.098 0.000 0.946 460 K CA -0.716 55.593 56.287 0.037 0.000 0.823 460 K CB 1.238 33.795 32.500 0.095 0.000 1.109 460 K HN 0.529 nan 8.250 nan 0.000 0.427 461 W N 2.573 123.870 121.300 -0.006 0.000 2.313 461 W HA 0.282 4.941 4.660 -0.001 0.000 0.328 461 W C 0.322 176.837 176.519 -0.007 0.000 1.197 461 W CA -0.252 57.073 57.345 -0.033 0.000 1.235 461 W CB 1.012 30.431 29.460 -0.068 0.000 1.158 461 W HN 0.324 nan 8.180 nan 0.000 0.578 462 E N 1.602 121.952 120.200 0.250 0.000 2.266 462 E HA 0.093 4.442 4.350 -0.001 0.000 0.268 462 E C 0.697 177.372 176.600 0.126 0.000 0.879 462 E CA -0.740 55.770 56.400 0.184 0.000 0.762 462 E CB 2.255 32.083 29.700 0.214 0.000 1.199 462 E HN 0.463 nan 8.360 nan 0.000 0.422 463 K N 2.080 122.472 120.400 -0.012 0.000 2.044 463 K HA -0.079 4.240 4.320 -0.001 0.000 0.210 463 K C 0.026 176.387 176.600 -0.398 0.000 1.049 463 K CA 1.417 57.530 56.287 -0.290 0.000 0.927 463 K CB 0.119 32.306 32.500 -0.521 0.000 0.713 463 K HN 0.255 nan 8.250 nan 0.000 0.443 464 F N -0.014 120.018 119.950 0.136 0.000 2.497 464 F HA 0.447 4.973 4.527 -0.001 0.000 0.331 464 F C 0.303 176.277 175.800 0.290 0.000 1.060 464 F CA -1.253 56.881 58.000 0.223 0.000 0.989 464 F CB 1.006 40.177 39.000 0.285 0.000 1.245 464 F HN -0.043 nan 8.300 nan 0.000 0.486 465 A N 0.824 124.018 122.820 0.623 0.000 2.561 465 A HA 0.407 4.727 4.320 -0.001 0.000 0.234 465 A C 0.108 177.981 177.584 0.481 0.000 1.055 465 A CA 0.031 52.388 52.037 0.532 0.000 0.756 465 A CB -0.464 18.971 19.000 0.726 0.000 0.986 465 A HN 0.921 nan 8.150 nan 0.000 0.505 466 A N 2.738 125.760 122.820 0.337 0.000 2.922 466 A HA 0.287 4.606 4.320 -0.001 0.000 0.298 466 A C 0.754 178.521 177.584 0.306 0.000 1.588 466 A CA -0.486 51.719 52.037 0.280 0.000 1.288 466 A CB -0.629 18.416 19.000 0.075 0.000 1.130 466 A HN 1.045 nan 8.150 nan 0.000 0.557 467 W N 2.271 123.685 121.300 0.189 0.000 2.418 467 W HA -0.084 4.575 4.660 -0.000 0.000 0.292 467 W C 1.597 178.245 176.519 0.215 0.000 1.213 467 W CA 1.602 59.061 57.345 0.191 0.000 1.283 467 W CB 0.071 29.648 29.460 0.195 0.000 1.119 467 W HN 0.711 nan 8.180 nan 0.000 0.542 468 G N 0.077 109.124 108.800 0.411 0.000 2.421 468 G HA2 0.256 4.216 3.960 -0.001 0.000 0.217 468 G HA3 0.256 4.216 3.960 -0.001 0.000 0.217 468 G C 0.663 175.696 174.900 0.222 0.000 1.143 468 G CA 1.031 46.331 45.100 0.335 0.000 0.784 468 G HN 0.500 nan 8.290 nan 0.000 0.541 469 G N -1.544 107.375 108.800 0.199 0.000 2.396 469 G HA2 0.395 4.354 3.960 -0.001 0.000 0.254 469 G HA3 0.395 4.354 3.960 -0.001 0.000 0.254 469 G C -0.238 174.823 174.900 0.268 0.000 1.248 469 G CA 0.227 45.419 45.100 0.154 0.000 1.033 469 G HN 1.398 nan 8.290 nan 0.000 0.502 470 T N -2.597 112.144 114.554 0.312 0.000 2.883 470 T HA 0.762 5.112 4.350 -0.001 0.000 0.301 470 T C -1.107 173.943 174.700 0.583 0.000 1.158 470 T CA -0.158 62.205 62.100 0.438 0.000 1.007 470 T CB 2.095 71.194 68.868 0.385 0.000 1.186 470 T HN 2.042 nan 8.240 nan 0.000 0.499 471 L N 1.765 123.316 121.223 0.547 0.000 2.386 471 L HA 0.782 5.121 4.340 -0.001 0.000 0.271 471 L C -1.786 175.362 176.870 0.463 0.000 0.993 471 L CA -0.942 54.150 54.840 0.420 0.000 0.819 471 L CB 1.853 44.018 42.059 0.176 0.000 1.294 471 L HN 0.872 nan 8.230 nan 0.000 0.414 472 Y N 3.301 123.787 120.300 0.309 0.000 2.335 472 Y HA 0.706 5.256 4.550 -0.001 0.000 0.338 472 Y C -0.446 175.601 175.900 0.245 0.000 0.977 472 Y CA -0.381 57.888 58.100 0.282 0.000 1.114 472 Y CB 1.550 40.204 38.460 0.323 0.000 1.182 472 Y HN 0.788 nan 8.280 nan 0.000 0.463 473 T N 2.173 116.312 114.554 -0.692 0.000 2.856 473 T HA 0.267 4.617 4.350 -0.001 0.000 0.283 473 T C 0.708 174.946 174.700 -0.770 0.000 1.008 473 T CA -1.068 60.760 62.100 -0.454 0.000 0.997 473 T CB 1.855 70.692 68.868 -0.052 0.000 0.992 473 T HN 0.795 nan 8.240 nan 0.000 0.454 474 K N 1.654 121.865 120.400 -0.316 0.000 2.366 474 K HA -0.085 4.235 4.320 -0.001 0.000 0.202 474 K C 1.993 178.560 176.600 -0.056 0.000 1.045 474 K CA 1.440 57.675 56.287 -0.086 0.000 0.934 474 K CB -0.793 31.730 32.500 0.039 0.000 0.746 474 K HN 0.870 nan 8.250 nan 0.000 0.470 475 G N -0.359 108.377 108.800 -0.108 0.000 2.776 475 G HA2 0.016 3.975 3.960 -0.001 0.000 0.209 475 G HA3 0.016 3.975 3.960 -0.001 0.000 0.209 475 G C 0.704 175.573 174.900 -0.051 0.000 1.145 475 G CA 0.359 45.425 45.100 -0.056 0.000 0.791 475 G HN 0.471 nan 8.290 nan 0.000 0.530 476 G N -0.870 107.899 108.800 -0.052 0.000 2.203 476 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.231 476 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.231 476 G C -0.064 174.826 174.900 -0.015 0.000 1.058 476 G CA 0.034 45.191 45.100 0.095 0.000 0.781 476 G HN 0.530 nan 8.290 nan 0.000 0.496 477 L N -0.437 120.671 121.223 -0.192 0.000 2.386 477 L HA 0.715 5.054 4.340 -0.001 0.000 0.271 477 L C 0.095 176.801 176.870 -0.273 0.000 0.993 477 L CA -1.432 53.209 54.840 -0.331 0.000 0.819 477 L CB 2.455 44.166 42.059 -0.579 0.000 1.294 477 L HN -0.068 nan 8.230 nan 0.000 0.414 478 V N 1.205 120.963 119.914 -0.259 0.000 2.328 478 V HA 0.314 4.434 4.120 -0.001 0.000 0.278 478 V C -0.939 175.170 176.094 0.025 0.000 1.021 478 V CA -0.454 61.825 62.300 -0.035 0.000 0.838 478 V CB 0.738 32.527 31.823 -0.058 0.000 0.999 478 V HN 0.557 nan 8.190 nan 0.000 0.447 479 W N 5.676 127.087 121.300 0.184 0.000 2.438 479 W HA 0.726 5.385 4.660 -0.001 0.000 0.324 479 W C -0.296 176.442 176.519 0.364 0.000 1.119 479 W CA -0.571 56.891 57.345 0.195 0.000 1.221 479 W CB 0.966 30.466 29.460 0.067 0.000 1.253 479 W HN 0.685 nan 8.180 nan 0.000 0.555 480 Y N -0.157 120.374 120.300 0.385 0.000 2.604 480 Y HA 0.797 5.347 4.550 -0.001 0.000 0.331 480 Y C -1.126 174.954 175.900 0.300 0.000 1.158 480 Y CA -2.255 56.035 58.100 0.317 0.000 1.056 480 Y CB 0.381 38.999 38.460 0.263 0.000 1.330 480 Y HN 0.609 nan 8.280 nan 0.000 0.457 481 A N 1.683 124.725 122.820 0.370 0.000 2.325 481 A HA 0.822 5.141 4.320 -0.001 0.000 0.333 481 A C -0.168 177.636 177.584 0.367 0.000 1.155 481 A CA -0.183 52.018 52.037 0.274 0.000 0.814 481 A CB 0.853 20.029 19.000 0.294 0.000 1.206 481 A HN 1.165 nan 8.150 nan 0.000 0.482 482 T N -0.479 114.256 114.554 0.302 0.000 2.940 482 T HA 0.525 4.875 4.350 -0.001 0.000 0.288 482 T C 0.888 175.760 174.700 0.288 0.000 1.033 482 T CA -0.705 61.609 62.100 0.357 0.000 1.033 482 T CB 0.792 69.874 68.868 0.358 0.000 1.079 482 T HN 0.371 nan 8.240 nan 0.000 0.496 483 L N 0.750 122.138 121.223 0.276 0.000 2.275 483 L HA -0.000 4.339 4.340 -0.001 0.000 0.215 483 L C 1.735 178.627 176.870 0.037 0.000 1.119 483 L CA 1.358 56.270 54.840 0.120 0.000 0.790 483 L CB -0.582 41.499 42.059 0.035 0.000 0.919 483 L HN 0.815 nan 8.230 nan 0.000 0.443 484 D N -1.216 119.272 120.400 0.146 0.000 2.340 484 D HA 0.102 4.742 4.640 -0.001 0.000 0.220 484 D C 1.329 177.707 176.300 0.131 0.000 1.039 484 D CA 0.708 54.798 54.000 0.150 0.000 0.866 484 D CB 0.281 41.260 40.800 0.298 0.000 0.913 484 D HN 0.193 nan 8.370 nan 0.000 0.523 485 G N -1.110 107.750 108.800 0.101 0.000 2.154 485 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.186 485 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.186 485 G C -0.486 174.297 174.900 -0.195 0.000 1.000 485 G CA -0.529 44.538 45.100 -0.055 0.000 0.664 485 G HN 0.310 nan 8.290 nan 0.000 0.513 486 Y N -0.932 119.384 120.300 0.027 0.000 2.420 486 Y HA 0.738 5.288 4.550 -0.001 0.000 0.334 486 Y C 0.266 176.148 175.900 -0.029 0.000 1.094 486 Y CA -1.219 56.856 58.100 -0.041 0.000 1.126 486 Y CB 1.826 40.221 38.460 -0.107 0.000 1.217 486 Y HN 0.191 nan 8.280 nan 0.000 0.462 487 L N 3.897 125.185 121.223 0.108 0.000 2.307 487 L HA 0.556 4.896 4.340 -0.001 0.000 0.284 487 L C -1.135 175.744 176.870 0.015 0.000 1.023 487 L CA -0.630 54.273 54.840 0.104 0.000 0.810 487 L CB 0.700 42.850 42.059 0.151 0.000 1.231 487 L HN 0.594 nan 8.230 nan 0.000 0.423 488 K N 3.798 124.144 120.400 -0.090 0.000 2.443 488 K HA 0.910 5.230 4.320 -0.001 0.000 0.251 488 K C -1.452 175.130 176.600 -0.030 0.000 0.972 488 K CA -0.982 55.210 56.287 -0.159 0.000 0.833 488 K CB 2.186 34.359 32.500 -0.544 0.000 1.317 488 K HN 0.651 nan 8.250 nan 0.000 0.441 489 A N 2.661 125.445 122.820 -0.059 0.000 2.343 489 A HA 0.630 4.950 4.320 -0.001 0.000 0.308 489 A C -1.041 176.387 177.584 -0.259 0.000 1.092 489 A CA -0.724 51.050 52.037 -0.438 0.000 0.751 489 A CB 0.504 18.918 19.000 -0.977 0.000 1.203 489 A HN 0.580 nan 8.150 nan 0.000 0.452 490 L N 1.272 122.366 121.223 -0.215 0.000 2.330 490 L HA 0.459 4.799 4.340 -0.001 0.000 0.271 490 L C -0.241 176.487 176.870 -0.236 0.000 1.013 490 L CA -1.118 53.624 54.840 -0.163 0.000 0.816 490 L CB 1.605 43.630 42.059 -0.057 0.000 1.287 490 L HN 0.674 nan 8.230 nan 0.000 0.435 491 D N 1.759 122.010 120.400 -0.249 0.000 2.371 491 D HA -0.051 4.588 4.640 -0.001 0.000 0.256 491 D C 0.921 177.078 176.300 -0.238 0.000 1.193 491 D CA -0.066 53.802 54.000 -0.220 0.000 0.881 491 D CB 0.897 41.567 40.800 -0.217 0.000 1.143 491 D HN 0.598 nan 8.370 nan 0.000 0.473 492 N N 4.516 123.158 118.700 -0.097 0.000 2.520 492 N HA -0.207 4.533 4.740 -0.001 0.000 0.185 492 N C 1.247 176.880 175.510 0.206 0.000 1.068 492 N CA 0.683 53.753 53.050 0.033 0.000 0.911 492 N CB -0.083 38.439 38.487 0.058 0.000 0.961 492 N HN 0.495 nan 8.380 nan 0.000 0.446 493 K N 0.987 121.389 120.400 0.002 0.000 2.062 493 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 493 K C 0.195 176.678 176.600 -0.195 0.000 1.051 493 K CA 1.888 58.182 56.287 0.012 0.000 0.941 493 K CB 0.090 32.568 32.500 -0.036 0.000 0.719 493 K HN 0.293 nan 8.250 nan 0.000 0.440 494 D N -2.960 117.069 120.400 -0.618 0.000 2.516 494 D HA 0.127 4.766 4.640 -0.001 0.000 0.241 494 D C 0.816 176.224 176.300 -1.488 0.000 1.246 494 D CA 0.481 53.926 54.000 -0.925 0.000 0.808 494 D CB 0.498 41.054 40.800 -0.406 0.000 1.147 494 D HN 0.333 nan 8.370 nan 0.000 0.527 495 G N 1.234 108.968 108.800 -1.777 0.000 2.159 495 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.256 495 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.256 495 G C 0.165 174.708 174.900 -0.597 0.000 0.977 495 G CA 0.218 44.400 45.100 -1.531 0.000 0.652 495 G HN 0.596 nan 8.290 nan 0.000 0.531 496 K N 1.091 121.214 120.400 -0.461 0.000 2.451 496 K HA 0.267 4.586 4.320 -0.001 0.000 0.280 496 K C 0.490 176.975 176.600 -0.191 0.000 1.020 496 K CA -0.108 56.026 56.287 -0.256 0.000 1.008 496 K CB 0.271 32.645 32.500 -0.211 0.000 0.917 496 K HN 0.386 nan 8.250 nan 0.000 0.478 497 E N 4.799 124.923 120.200 -0.125 0.000 2.257 497 E HA 0.012 4.361 4.350 -0.001 0.000 0.278 497 E C 0.180 176.727 176.600 -0.088 0.000 1.049 497 E CA -0.119 56.227 56.400 -0.091 0.000 0.876 497 E CB 0.509 30.164 29.700 -0.074 0.000 1.035 497 E HN 0.650 nan 8.360 nan 0.000 0.419 498 L N 4.367 125.542 121.223 -0.079 0.000 2.609 498 L HA 0.350 4.689 4.340 -0.001 0.000 0.230 498 L C 0.033 176.948 176.870 0.075 0.000 1.087 498 L CA -0.355 54.461 54.840 -0.041 0.000 0.874 498 L CB 0.313 42.319 42.059 -0.088 0.000 1.114 498 L HN 0.592 nan 8.230 nan 0.000 0.488 499 W N 1.070 122.264 121.300 -0.176 0.000 3.275 499 W HA 0.389 5.048 4.660 -0.000 0.000 0.306 499 W C -1.775 174.674 176.519 -0.116 0.000 1.259 499 W CA -0.815 56.453 57.345 -0.130 0.000 1.194 499 W CB 1.208 30.578 29.460 -0.150 0.000 1.375 499 W HN 0.072 nan 8.180 nan 0.000 0.564 500 N N 2.529 120.595 118.700 -1.057 0.000 2.859 500 N HA 0.657 5.397 4.740 -0.001 0.000 0.250 500 N C -2.403 172.366 175.510 -1.235 0.000 1.341 500 N CA -0.722 51.730 53.050 -0.996 0.000 0.881 500 N CB 2.086 40.324 38.487 -0.416 0.000 1.516 500 N HN 0.412 nan 8.380 nan 0.000 0.503 501 F N 0.521 119.914 119.950 -0.929 0.000 2.581 501 F HA 0.544 5.071 4.527 -0.000 0.000 0.311 501 F C -0.968 174.682 175.800 -0.249 0.000 1.113 501 F CA -0.825 56.865 58.000 -0.516 0.000 0.935 501 F CB 1.914 40.677 39.000 -0.395 0.000 1.232 501 F HN 0.655 nan 8.300 nan 0.000 0.445 502 K N 7.315 127.102 120.400 -1.022 0.000 2.262 502 K HA 0.341 4.661 4.320 -0.001 0.000 0.288 502 K C -0.641 175.551 176.600 -0.680 0.000 1.090 502 K CA -0.013 55.678 56.287 -0.994 0.000 0.918 502 K CB -0.014 31.950 32.500 -0.893 0.000 1.139 502 K HN 0.725 nan 8.250 nan 0.000 0.462 503 M N 5.421 124.877 119.600 -0.240 0.000 2.103 503 M HA 0.163 4.643 4.480 -0.001 0.000 0.291 503 M C -1.272 174.874 176.300 -0.257 0.000 1.216 503 M CA -1.811 53.472 55.300 -0.027 0.000 1.132 503 M CB 0.252 32.907 32.600 0.093 0.000 1.396 503 M HN 0.367 nan 8.290 nan 0.000 0.479 504 P HA -0.056 nan 4.420 nan 0.000 0.217 504 P C 0.010 177.184 177.300 -0.210 0.000 1.150 504 P CA 1.014 63.880 63.100 -0.389 0.000 0.832 504 P CB 0.287 31.598 31.700 -0.649 0.000 0.787 505 S N -2.518 113.111 115.700 -0.119 0.000 2.607 505 S HA 0.629 5.098 4.470 -0.001 0.000 0.273 505 S C -0.229 174.420 174.600 0.081 0.000 1.148 505 S CA -0.637 57.578 58.200 0.025 0.000 0.833 505 S CB 0.734 64.010 63.200 0.127 0.000 1.130 505 S HN 0.066 nan 8.310 nan 0.000 0.470 506 G N 0.505 109.348 108.800 0.070 0.000 2.559 506 G HA2 0.449 4.409 3.960 -0.001 0.000 0.235 506 G HA3 0.449 4.409 3.960 -0.001 0.000 0.235 506 G C 0.321 175.325 174.900 0.174 0.000 1.266 506 G CA 0.130 45.292 45.100 0.103 0.000 0.847 506 G HN 0.927 nan 8.290 nan 0.000 0.583 507 G N -0.179 108.751 108.800 0.216 0.000 2.379 507 G HA2 0.506 4.466 3.960 -0.001 0.000 0.327 507 G HA3 0.506 4.466 3.960 -0.001 0.000 0.327 507 G C 0.584 175.664 174.900 0.299 0.000 1.145 507 G CA -0.632 44.628 45.100 0.266 0.000 0.905 507 G HN 1.026 nan 8.290 nan 0.000 0.466 508 I N 0.426 121.194 120.570 0.329 0.000 4.050 508 I HA 0.444 4.613 4.170 -0.001 0.000 0.327 508 I C 0.689 177.076 176.117 0.451 0.000 1.473 508 I CA -0.605 60.955 61.300 0.432 0.000 1.124 508 I CB 0.755 39.016 38.000 0.434 0.000 1.129 508 I HN 0.418 nan 8.210 nan 0.000 0.428 509 G N 0.577 109.605 108.800 0.381 0.000 2.820 509 G HA2 0.559 4.518 3.960 -0.001 0.000 0.291 509 G HA3 0.559 4.518 3.960 -0.001 0.000 0.291 509 G C -1.246 173.847 174.900 0.322 0.000 1.323 509 G CA -0.526 44.796 45.100 0.371 0.000 1.055 509 G HN 0.086 nan 8.290 nan 0.000 0.520 510 S N -0.095 115.771 115.700 0.277 0.000 2.509 510 S HA 0.692 5.162 4.470 -0.001 0.000 0.297 510 S C -2.462 172.329 174.600 0.318 0.000 1.118 510 S CA -1.240 57.127 58.200 0.278 0.000 1.074 510 S CB 1.557 64.817 63.200 0.099 0.000 1.038 510 S HN 0.273 nan 8.310 nan 0.000 0.498 511 P HA 0.303 nan 4.420 nan 0.000 0.272 511 P C -0.832 176.433 177.300 -0.058 0.000 1.230 511 P CA -0.298 62.878 63.100 0.127 0.000 0.788 511 P CB 0.431 32.195 31.700 0.106 0.000 0.949 512 M N -0.689 118.698 119.600 -0.356 0.000 2.727 512 M HA 0.836 5.315 4.480 -0.001 0.000 0.300 512 M C -0.448 175.382 176.300 -0.784 0.000 1.246 512 M CA -0.427 54.286 55.300 -0.978 0.000 0.835 512 M CB 1.583 33.407 32.600 -1.295 0.000 1.755 512 M HN 0.132 nan 8.290 nan 0.000 0.473 513 T N 0.250 114.278 114.554 -0.876 0.000 2.868 513 T HA 0.854 5.203 4.350 -0.001 0.000 0.306 513 T C -2.097 172.591 174.700 -0.021 0.000 1.224 513 T CA -0.432 61.431 62.100 -0.395 0.000 1.012 513 T CB 1.151 69.787 68.868 -0.386 0.000 1.221 513 T HN 1.051 nan 8.240 nan 0.000 0.499 514 Y N -0.480 119.786 120.300 -0.057 0.000 2.750 514 Y HA 0.754 5.304 4.550 -0.001 0.000 0.335 514 Y C -0.905 175.086 175.900 0.153 0.000 1.252 514 Y CA -1.108 57.042 58.100 0.083 0.000 1.064 514 Y CB 0.694 39.199 38.460 0.076 0.000 1.321 514 Y HN 0.657 nan 8.280 nan 0.000 0.451 515 S N 1.369 117.256 115.700 0.312 0.000 2.536 515 S HA 0.832 5.302 4.470 -0.001 0.000 0.298 515 S C -1.670 173.214 174.600 0.474 0.000 1.083 515 S CA -0.510 57.848 58.200 0.263 0.000 0.995 515 S CB 2.160 65.451 63.200 0.152 0.000 1.058 515 S HN 1.058 nan 8.310 nan 0.000 0.488 516 F N 2.158 122.283 119.950 0.291 0.000 2.607 516 F HA 0.486 5.013 4.527 -0.001 0.000 0.322 516 F C -0.268 175.658 175.800 0.211 0.000 1.176 516 F CA -0.763 57.381 58.000 0.241 0.000 0.977 516 F CB 1.350 40.477 39.000 0.212 0.000 1.242 516 F HN 0.910 nan 8.300 nan 0.000 0.465 517 K N 4.950 125.037 120.400 -0.522 0.000 3.490 517 K HA -0.178 4.141 4.320 -0.001 0.000 0.273 517 K C 0.890 177.384 176.600 -0.177 0.000 0.916 517 K CA 1.024 57.035 56.287 -0.460 0.000 0.718 517 K CB -1.544 30.493 32.500 -0.771 0.000 1.477 517 K HN 1.531 nan 8.250 nan 0.000 0.452 518 G N -0.265 108.488 108.800 -0.080 0.000 2.179 518 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.260 518 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.260 518 G C -0.137 174.738 174.900 -0.042 0.000 0.977 518 G CA 0.881 45.953 45.100 -0.047 0.000 0.641 518 G HN 0.384 nan 8.290 nan 0.000 0.533 519 K N -0.124 120.270 120.400 -0.010 0.000 2.422 519 K HA 0.483 4.802 4.320 -0.001 0.000 0.251 519 K C -0.247 176.257 176.600 -0.161 0.000 0.933 519 K CA -0.750 55.461 56.287 -0.127 0.000 0.798 519 K CB 2.084 34.434 32.500 -0.250 0.000 1.238 519 K HN 0.227 nan 8.250 nan 0.000 0.428 520 Q N 2.545 122.168 119.800 -0.295 0.000 2.267 520 Q HA 0.237 4.576 4.340 -0.001 0.000 0.255 520 Q C -1.476 174.179 176.000 -0.575 0.000 0.923 520 Q CA -0.307 55.316 55.803 -0.299 0.000 0.925 520 Q CB 0.631 29.231 28.738 -0.231 0.000 1.195 520 Q HN 0.464 nan 8.270 nan 0.000 0.417 521 Y N 2.552 122.499 120.300 -0.589 0.000 2.485 521 Y HA 0.478 5.028 4.550 -0.001 0.000 0.345 521 Y C -0.202 175.271 175.900 -0.712 0.000 0.998 521 Y CA -1.048 56.627 58.100 -0.709 0.000 1.059 521 Y CB 1.585 39.393 38.460 -1.086 0.000 1.234 521 Y HN 0.485 nan 8.280 nan 0.000 0.461 522 I N 2.160 122.481 120.570 -0.414 0.000 2.406 522 I HA 0.487 4.656 4.170 -0.001 0.000 0.290 522 I C 0.246 176.242 176.117 -0.201 0.000 0.999 522 I CA -0.545 60.455 61.300 -0.500 0.000 1.124 522 I CB 1.243 38.704 38.000 -0.898 0.000 1.289 522 I HN 0.746 nan 8.210 nan 0.000 0.441 523 G N 3.172 111.870 108.800 -0.170 0.000 2.461 523 G HA2 0.559 4.518 3.960 -0.001 0.000 0.323 523 G HA3 0.559 4.518 3.960 -0.001 0.000 0.323 523 G C -1.139 173.756 174.900 -0.009 0.000 1.229 523 G CA -0.424 44.638 45.100 -0.064 0.000 0.941 523 G HN 0.509 nan 8.290 nan 0.000 0.477 524 S N 1.744 117.502 115.700 0.097 0.000 2.548 524 S HA 0.597 5.067 4.470 -0.001 0.000 0.276 524 S C -0.029 174.686 174.600 0.191 0.000 1.129 524 S CA -0.820 57.483 58.200 0.172 0.000 0.931 524 S CB 1.038 64.391 63.200 0.256 0.000 1.068 524 S HN 0.454 nan 8.310 nan 0.000 0.480 525 M N 3.826 123.533 119.600 0.179 0.000 2.202 525 M HA 0.379 4.858 4.480 -0.001 0.000 0.316 525 M C -0.479 175.943 176.300 0.204 0.000 1.138 525 M CA -0.170 55.201 55.300 0.119 0.000 1.151 525 M CB 0.205 32.888 32.600 0.138 0.000 1.422 525 M HN 0.795 nan 8.290 nan 0.000 0.471 526 Y N -2.378 117.978 120.300 0.093 0.000 2.562 526 Y HA 0.754 5.304 4.550 -0.001 0.000 0.345 526 Y C -0.277 175.619 175.900 -0.006 0.000 1.045 526 Y CA -1.576 56.565 58.100 0.068 0.000 1.028 526 Y CB 1.473 39.964 38.460 0.052 0.000 1.297 526 Y HN 0.910 nan 8.280 nan 0.000 0.463 527 G N 1.360 110.288 108.800 0.212 0.000 2.648 527 G HA2 0.196 4.156 3.960 -0.001 0.000 0.317 527 G HA3 0.196 4.156 3.960 -0.001 0.000 0.317 527 G C -1.647 173.342 174.900 0.148 0.000 1.216 527 G CA -0.538 44.620 45.100 0.098 0.000 1.210 527 G HN 1.031 nan 8.290 nan 0.000 0.583 528 V N 2.087 122.063 119.914 0.103 0.000 2.963 528 V HA 0.830 4.950 4.120 -0.001 0.000 0.306 528 V C 1.176 177.294 176.094 0.040 0.000 1.077 528 V CA 2.335 64.671 62.300 0.059 0.000 1.124 528 V CB 1.383 33.204 31.823 -0.004 0.000 0.987 528 V HN 2.349 nan 8.190 nan 0.000 0.487 529 G N 2.756 111.561 108.800 0.008 0.000 2.512 529 G HA2 0.592 4.551 3.960 -0.001 0.000 0.181 529 G HA3 0.592 4.551 3.960 -0.001 0.000 0.181 529 G C 0.186 175.089 174.900 0.005 0.000 1.173 529 G CA 0.203 45.309 45.100 0.010 0.000 0.988 529 G HN 2.118 nan 8.290 nan 0.000 0.485 530 G N -1.681 107.190 108.800 0.117 0.000 2.698 530 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.233 530 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.233 530 G C 0.871 175.862 174.900 0.150 0.000 1.352 530 G CA 0.830 46.048 45.100 0.197 0.000 0.879 530 G HN 1.735 nan 8.290 nan 0.000 0.567 531 W N 1.442 122.727 121.300 -0.025 0.000 2.335 531 W HA 0.002 4.661 4.660 -0.001 0.000 0.311 531 W C -0.076 176.215 176.519 -0.381 0.000 1.213 531 W CA 2.750 60.043 57.345 -0.086 0.000 1.274 531 W CB -1.650 27.882 29.460 0.121 0.000 1.148 531 W HN 0.460 nan 8.180 nan 0.000 0.498 532 P HA -0.086 nan 4.420 nan 0.000 0.218 532 P C 1.436 178.300 177.300 -0.728 0.000 1.148 532 P CA 2.664 64.971 63.100 -1.322 0.000 0.822 532 P CB -0.539 30.057 31.700 -1.841 0.000 0.784 533 G N -0.690 107.882 108.800 -0.380 0.000 3.189 533 G HA2 0.041 4.001 3.960 -0.001 0.000 0.225 533 G HA3 0.041 4.001 3.960 -0.001 0.000 0.225 533 G C 1.311 176.202 174.900 -0.015 0.000 1.159 533 G CA 0.171 45.166 45.100 -0.177 0.000 0.763 533 G HN 0.251 nan 8.290 nan 0.000 0.549 534 V N -0.854 119.126 119.914 0.110 0.000 2.392 534 V HA -0.060 4.060 4.120 -0.001 0.000 0.249 534 V C 2.603 178.859 176.094 0.271 0.000 1.059 534 V CA 2.096 64.586 62.300 0.317 0.000 1.051 534 V CB -1.134 30.911 31.823 0.370 0.000 0.658 534 V HN 0.186 nan 8.190 nan 0.000 0.455 535 G N 0.585 109.486 108.800 0.169 0.000 2.421 535 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 535 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 535 G C 1.522 176.479 174.900 0.094 0.000 1.171 535 G CA 1.328 46.514 45.100 0.143 0.000 0.775 535 G HN 0.552 nan 8.290 nan 0.000 0.543 536 L N 0.753 122.002 121.223 0.044 0.000 2.027 536 L HA 0.046 4.386 4.340 -0.001 0.000 0.206 536 L C 2.871 179.708 176.870 -0.056 0.000 1.074 536 L CA 1.487 56.327 54.840 -0.001 0.000 0.745 536 L CB -0.571 41.474 42.059 -0.023 0.000 0.898 536 L HN 0.072 nan 8.230 nan 0.000 0.433 537 V N -0.678 119.157 119.914 -0.131 0.000 2.343 537 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 537 V C 1.722 177.510 176.094 -0.510 0.000 1.051 537 V CA 1.946 64.025 62.300 -0.369 0.000 1.036 537 V CB -0.692 30.783 31.823 -0.580 0.000 0.654 537 V HN 0.399 nan 8.190 nan 0.000 0.451 538 F N -0.579 119.383 119.950 0.020 0.000 2.647 538 F HA 0.316 4.843 4.527 -0.001 0.000 0.300 538 F C 0.520 176.328 175.800 0.014 0.000 1.106 538 F CA -0.492 57.517 58.000 0.014 0.000 1.313 538 F CB -0.123 38.880 39.000 0.004 0.000 1.007 538 F HN 0.071 nan 8.300 nan 0.000 0.536 539 D N 1.740 122.206 120.400 0.109 0.000 2.689 539 D HA -0.192 4.448 4.640 -0.001 0.000 0.237 539 D C -0.453 175.904 176.300 0.096 0.000 1.148 539 D CA 0.761 54.810 54.000 0.082 0.000 0.656 539 D CB -1.178 39.661 40.800 0.065 0.000 1.050 539 D HN 0.278 nan 8.370 nan 0.000 0.426 540 L N -0.272 121.018 121.223 0.113 0.000 2.334 540 L HA 0.548 4.887 4.340 -0.001 0.000 0.275 540 L C 1.814 178.734 176.870 0.083 0.000 1.036 540 L CA -0.278 54.620 54.840 0.096 0.000 0.807 540 L CB 1.769 43.897 42.059 0.114 0.000 1.231 540 L HN 0.065 nan 8.230 nan 0.000 0.438 541 T N -4.554 110.040 114.554 0.067 0.000 2.992 541 T HA 0.043 4.393 4.350 -0.001 0.000 0.255 541 T C 0.378 175.116 174.700 0.062 0.000 0.938 541 T CA -0.328 61.811 62.100 0.064 0.000 0.895 541 T CB 0.185 69.083 68.868 0.051 0.000 1.221 541 T HN 0.453 nan 8.240 nan 0.000 0.512 542 D N 3.637 124.069 120.400 0.054 0.000 2.412 542 D HA 0.145 4.785 4.640 -0.001 0.000 0.257 542 D C -1.560 174.781 176.300 0.067 0.000 1.217 542 D CA -1.657 52.372 54.000 0.049 0.000 0.897 542 D CB 1.732 42.551 40.800 0.032 0.000 1.132 542 D HN 0.038 nan 8.370 nan 0.000 0.493 543 P HA -0.163 nan 4.420 nan 0.000 0.217 543 P C 1.209 178.569 177.300 0.100 0.000 1.148 543 P CA 1.282 64.436 63.100 0.091 0.000 0.828 543 P CB 0.143 31.894 31.700 0.085 0.000 0.783 544 S N -1.975 113.773 115.700 0.080 0.000 2.527 544 S HA 0.252 4.722 4.470 -0.001 0.000 0.222 544 S C 1.118 175.761 174.600 0.072 0.000 0.985 544 S CA 0.001 58.248 58.200 0.079 0.000 0.921 544 S CB -0.851 62.380 63.200 0.053 0.000 0.772 544 S HN 0.107 nan 8.310 nan 0.000 0.529 545 A N 1.042 123.902 122.820 0.066 0.000 2.386 545 A HA 0.545 4.865 4.320 -0.001 0.000 0.246 545 A C 1.499 179.145 177.584 0.104 0.000 1.089 545 A CA 0.066 52.134 52.037 0.051 0.000 0.790 545 A CB -1.117 17.910 19.000 0.044 0.000 1.042 545 A HN 1.538 nan 8.150 nan 0.000 0.497 546 G N -0.944 107.903 108.800 0.078 0.000 2.258 546 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.274 546 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.274 546 G C 0.401 175.511 174.900 0.350 0.000 1.021 546 G CA 0.264 45.479 45.100 0.191 0.000 0.798 546 G HN 1.753 nan 8.290 nan 0.000 0.507 547 L N -3.109 118.219 121.223 0.175 0.000 3.660 547 L HA -0.233 4.106 4.340 -0.001 0.000 0.440 547 L C 1.993 179.055 176.870 0.320 0.000 1.262 547 L CA 1.076 56.046 54.840 0.216 0.000 0.837 547 L CB -1.440 40.775 42.059 0.261 0.000 1.689 547 L HN 2.014 nan 8.230 nan 0.000 0.890 548 G N -1.853 107.080 108.800 0.222 0.000 2.241 548 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.244 548 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.244 548 G C 0.978 175.985 174.900 0.178 0.000 0.998 548 G CA 0.650 45.863 45.100 0.188 0.000 0.621 548 G HN 0.993 nan 8.290 nan 0.000 0.519 549 A N 0.248 123.199 122.820 0.219 0.000 1.933 549 A HA 0.271 4.590 4.320 -0.001 0.000 0.218 549 A C 2.607 180.347 177.584 0.260 0.000 1.175 549 A CA 2.691 54.832 52.037 0.174 0.000 0.628 549 A CB -0.547 18.493 19.000 0.067 0.000 0.814 549 A HN 1.136 nan 8.150 nan 0.000 0.444 550 V N -0.030 120.016 119.914 0.221 0.000 2.287 550 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 550 V C 2.811 179.013 176.094 0.180 0.000 1.053 550 V CA 2.140 64.557 62.300 0.195 0.000 1.027 550 V CB -1.492 30.422 31.823 0.151 0.000 0.646 550 V HN 0.612 nan 8.190 nan 0.000 0.447 551 G N -0.673 108.218 108.800 0.153 0.000 2.402 551 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 551 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 551 G C 1.772 176.740 174.900 0.113 0.000 1.162 551 G CA 0.986 46.163 45.100 0.129 0.000 0.777 551 G HN 0.620 nan 8.290 nan 0.000 0.539 552 A N 0.155 123.032 122.820 0.094 0.000 1.933 552 A HA 0.165 4.485 4.320 -0.001 0.000 0.218 552 A C 1.696 179.150 177.584 -0.218 0.000 1.175 552 A CA 0.971 52.972 52.037 -0.060 0.000 0.628 552 A CB -0.376 18.552 19.000 -0.120 0.000 0.814 552 A HN 0.329 nan 8.150 nan 0.000 0.444 553 F N -0.012 120.005 119.950 0.112 0.000 2.684 553 F HA 0.182 4.708 4.527 -0.001 0.000 0.298 553 F C 1.891 177.774 175.800 0.138 0.000 1.120 553 F CA -0.062 58.025 58.000 0.144 0.000 1.332 553 F CB 0.138 39.156 39.000 0.030 0.000 0.986 553 F HN 0.287 nan 8.300 nan 0.000 0.524 554 R N -0.067 120.569 120.500 0.226 0.000 2.170 554 R HA -0.151 4.189 4.340 -0.001 0.000 0.242 554 R C 0.910 177.329 176.300 0.199 0.000 1.145 554 R CA 1.588 57.797 56.100 0.182 0.000 0.984 554 R CB -0.484 29.896 30.300 0.133 0.000 0.869 554 R HN 0.191 nan 8.270 nan 0.000 0.455 555 E N 0.940 121.309 120.200 0.280 0.000 2.442 555 E HA -0.040 4.309 4.350 -0.001 0.000 0.195 555 E C 1.810 178.686 176.600 0.460 0.000 1.030 555 E CA 0.128 56.741 56.400 0.355 0.000 0.869 555 E CB -0.032 29.908 29.700 0.401 0.000 0.857 555 E HN 0.241 nan 8.360 nan 0.000 0.505 556 L N 2.216 123.612 121.223 0.290 0.000 2.042 556 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 556 L C 2.228 179.126 176.870 0.047 0.000 1.076 556 L CA 1.892 56.683 54.840 -0.082 0.000 0.749 556 L CB -0.571 41.333 42.059 -0.258 0.000 0.893 556 L HN 0.124 nan 8.230 nan 0.000 0.432 557 Q N -1.688 118.153 119.800 0.069 0.000 2.541 557 Q HA -0.145 4.194 4.340 -0.001 0.000 0.215 557 Q C 1.029 177.047 176.000 0.031 0.000 0.977 557 Q CA 1.521 57.347 55.803 0.039 0.000 0.934 557 Q CB -0.782 27.977 28.738 0.034 0.000 0.988 557 Q HN 0.667 nan 8.270 nan 0.000 0.521 558 N N -0.400 118.328 118.700 0.046 0.000 2.280 558 N HA 0.047 4.787 4.740 -0.001 0.000 0.192 558 N C 0.505 175.840 175.510 -0.291 0.000 1.109 558 N CA -0.007 52.984 53.050 -0.098 0.000 0.855 558 N CB 0.400 38.820 38.487 -0.112 0.000 0.974 558 N HN 0.320 nan 8.380 nan 0.000 0.482 559 H N -1.945 117.168 119.070 0.071 0.000 3.457 559 H HA 0.212 4.768 4.556 -0.000 0.000 0.255 559 H C 0.066 175.405 175.328 0.017 0.000 1.082 559 H CA 0.459 56.556 56.048 0.082 0.000 1.189 559 H CB 1.491 31.361 29.762 0.179 0.000 1.511 559 H HN -0.022 nan 8.280 nan 0.000 0.527 560 T N 0.477 115.079 114.554 0.079 0.000 2.802 560 T HA 0.347 4.696 4.350 -0.001 0.000 0.311 560 T C -1.528 173.168 174.700 -0.006 0.000 1.405 560 T CA -0.708 61.403 62.100 0.017 0.000 1.016 560 T CB 2.446 71.317 68.868 0.004 0.000 1.352 560 T HN -0.031 nan 8.240 nan 0.000 0.498 561 Q N 1.326 121.117 119.800 -0.014 0.000 2.587 561 Q HA 0.525 4.865 4.340 -0.001 0.000 0.293 561 Q C -0.198 175.796 176.000 -0.010 0.000 1.083 561 Q CA -0.915 54.878 55.803 -0.016 0.000 0.792 561 Q CB 2.033 30.760 28.738 -0.019 0.000 1.484 561 Q HN 0.729 nan 8.270 nan 0.000 0.446 562 M N 0.048 119.640 119.600 -0.014 0.000 2.184 562 M HA 0.410 4.889 4.480 -0.001 0.000 0.296 562 M C 0.620 176.932 176.300 0.021 0.000 1.165 562 M CA 0.674 55.973 55.300 -0.002 0.000 1.175 562 M CB 0.255 32.842 32.600 -0.021 0.000 1.392 562 M HN 0.809 nan 8.290 nan 0.000 0.457 563 G N -0.760 108.059 108.800 0.032 0.000 2.489 563 G HA2 0.640 4.599 3.960 -0.001 0.000 0.305 563 G HA3 0.640 4.599 3.960 -0.001 0.000 0.305 563 G C -1.537 173.271 174.900 -0.153 0.000 1.311 563 G CA -0.207 44.922 45.100 0.049 0.000 0.813 563 G HN 0.953 nan 8.290 nan 0.000 0.480 564 G N -1.200 107.380 108.800 -0.366 0.000 2.078 564 G HA2 0.804 4.764 3.960 -0.001 0.000 0.297 564 G HA3 0.804 4.764 3.960 -0.001 0.000 0.297 564 G C -0.215 174.072 174.900 -1.021 0.000 1.370 564 G CA 0.793 45.208 45.100 -1.143 0.000 1.222 564 G HN 2.026 nan 8.290 nan 0.000 0.586 565 G N -0.305 107.664 108.800 -1.384 0.000 2.325 565 G HA2 0.652 4.611 3.960 -0.001 0.000 0.295 565 G HA3 0.652 4.611 3.960 -0.001 0.000 0.295 565 G C -2.184 172.206 174.900 -0.850 0.000 1.274 565 G CA -0.223 44.242 45.100 -1.057 0.000 0.857 565 G HN 1.612 nan 8.290 nan 0.000 0.499 566 L N -0.386 120.694 121.223 -0.239 0.000 2.401 566 L HA 0.932 5.271 4.340 -0.001 0.000 0.266 566 L C -0.585 176.359 176.870 0.123 0.000 0.991 566 L CA -0.724 54.117 54.840 0.003 0.000 0.818 566 L CB 1.969 44.044 42.059 0.026 0.000 1.321 566 L HN 0.668 nan 8.230 nan 0.000 0.413 567 M N 4.678 124.328 119.600 0.082 0.000 2.395 567 M HA 0.587 5.066 4.480 -0.001 0.000 0.307 567 M C -1.423 174.624 176.300 -0.422 0.000 1.091 567 M CA -0.806 54.391 55.300 -0.171 0.000 0.919 567 M CB 2.233 34.818 32.600 -0.024 0.000 1.662 567 M HN 0.399 nan 8.290 nan 0.000 0.440 568 V N 3.642 123.036 119.914 -0.866 0.000 2.555 568 V HA 0.625 4.745 4.120 -0.001 0.000 0.302 568 V C -1.022 174.544 176.094 -0.879 0.000 1.038 568 V CA -0.489 61.337 62.300 -0.789 0.000 0.887 568 V CB 2.014 33.100 31.823 -1.228 0.000 0.991 568 V HN 0.650 nan 8.190 nan 0.000 0.434 569 F N 1.704 121.488 119.950 -0.276 0.000 2.593 569 F HA 0.875 5.402 4.527 -0.001 0.000 0.320 569 F C 0.346 175.965 175.800 -0.302 0.000 1.060 569 F CA -0.401 57.449 58.000 -0.250 0.000 0.940 569 F CB 2.372 41.219 39.000 -0.256 0.000 1.268 569 F HN 0.614 nan 8.300 nan 0.000 0.475 570 S N 0.332 115.959 115.700 -0.121 0.000 2.655 570 S HA 0.678 5.147 4.470 -0.001 0.000 0.266 570 S C -1.530 172.940 174.600 -0.216 0.000 1.149 570 S CA -1.096 56.903 58.200 -0.336 0.000 0.818 570 S CB 0.716 63.501 63.200 -0.693 0.000 1.130 570 S HN 0.586 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.078 121.223 -0.242 0.000 2.949 571 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 571 L CA 0.000 54.753 54.840 -0.145 0.000 0.813 571 L CB 0.000 41.975 42.059 -0.139 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502