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 1w1u_1_B DATA FIRST_RESID 5 DATA SEQUENCE NNYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPAGWTWEQY RDRAQTEPAA VVKAAKQSMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE AETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM DATA SEQUENCE I 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.712 175.510 0.337 0.000 1.280 5 N CA 0.000 53.185 53.050 0.224 0.000 0.885 5 N CB 0.000 38.576 38.487 0.148 0.000 1.341 6 N N -1.176 117.734 118.700 0.350 0.000 2.210 6 N HA 0.141 4.869 4.740 -0.021 0.000 0.203 6 N C -1.130 174.727 175.510 0.579 0.000 1.175 6 N CA -0.141 53.125 53.050 0.360 0.000 0.894 6 N CB 0.943 39.554 38.487 0.207 0.000 1.041 6 N HN 0.136 nan 8.380 nan 0.000 0.506 7 Y N 1.311 121.842 120.300 0.384 0.000 2.376 7 Y HA 0.511 5.048 4.550 -0.022 0.000 0.340 7 Y C -1.148 174.703 175.900 -0.081 0.000 0.965 7 Y CA -0.988 57.263 58.100 0.253 0.000 1.078 7 Y CB 0.952 39.482 38.460 0.117 0.000 1.193 7 Y HN -0.213 nan 8.280 nan 0.000 0.452 8 R N 4.716 124.544 120.500 -1.121 0.000 2.512 8 R HA 0.186 4.514 4.340 -0.021 0.000 0.291 8 R C -1.604 173.991 176.300 -1.175 0.000 1.097 8 R CA -0.623 54.667 56.100 -1.350 0.000 0.940 8 R CB 0.909 29.917 30.300 -2.153 0.000 1.198 8 R HN 0.759 nan 8.270 nan 0.000 0.429 9 D N 4.625 124.481 120.400 -0.907 0.000 2.662 9 D HA 0.110 4.738 4.640 -0.021 0.000 0.228 9 D C -0.454 175.635 176.300 -0.352 0.000 1.093 9 D CA 0.182 53.878 54.000 -0.506 0.000 1.075 9 D CB 0.020 40.686 40.800 -0.224 0.000 1.122 9 D HN 0.302 nan 8.370 nan 0.000 0.475 10 V N -1.172 118.516 119.914 -0.377 0.000 3.159 10 V HA 0.616 4.724 4.120 -0.021 0.000 0.308 10 V C -0.539 175.462 176.094 -0.155 0.000 1.190 10 V CA -1.090 61.056 62.300 -0.258 0.000 1.037 10 V CB 2.148 33.781 31.823 -0.317 0.000 1.060 10 V HN 0.051 nan 8.190 nan 0.000 0.437 11 E N 2.412 122.559 120.200 -0.088 0.000 2.129 11 E HA 0.567 4.905 4.350 -0.021 0.000 0.268 11 E C -1.220 175.376 176.600 -0.007 0.000 0.900 11 E CA -0.695 55.687 56.400 -0.030 0.000 0.755 11 E CB 1.883 31.572 29.700 -0.017 0.000 1.117 11 E HN 0.546 nan 8.360 nan 0.000 0.410 12 I N 3.764 124.352 120.570 0.030 0.000 2.412 12 I HA 0.422 4.580 4.170 -0.021 0.000 0.296 12 I C 0.043 176.202 176.117 0.070 0.000 0.987 12 I CA -0.687 60.648 61.300 0.058 0.000 1.180 12 I CB 1.189 39.243 38.000 0.091 0.000 1.340 12 I HN 0.542 nan 8.210 nan 0.000 0.455 13 R N 3.823 124.363 120.500 0.067 0.000 2.626 13 R HA 0.777 5.105 4.340 -0.021 0.000 0.274 13 R C -0.769 175.568 176.300 0.061 0.000 1.031 13 R CA -0.958 55.182 56.100 0.067 0.000 0.898 13 R CB 1.440 31.773 30.300 0.054 0.000 1.222 13 R HN 0.567 nan 8.270 nan 0.000 0.455 14 A N 3.571 126.429 122.820 0.064 0.000 2.565 14 A HA 0.228 4.536 4.320 -0.021 0.000 0.237 14 A C -1.944 175.669 177.584 0.048 0.000 1.053 14 A CA -0.531 51.541 52.037 0.057 0.000 0.755 14 A CB -0.497 18.544 19.000 0.067 0.000 0.980 14 A HN 0.506 nan 8.150 nan 0.000 0.506 15 P HA 0.340 nan 4.420 nan 0.000 0.270 15 P C 0.019 177.352 177.300 0.055 0.000 1.223 15 P CA 0.059 63.180 63.100 0.034 0.000 0.785 15 P CB 0.520 32.228 31.700 0.014 0.000 0.923 16 R N 0.190 120.721 120.500 0.051 0.000 2.960 16 R HA 0.778 5.105 4.340 -0.021 0.000 0.249 16 R C 0.358 176.707 176.300 0.083 0.000 1.192 16 R CA 0.277 56.415 56.100 0.063 0.000 1.035 16 R CB 0.686 31.009 30.300 0.039 0.000 1.234 16 R HN 0.715 nan 8.270 nan 0.000 0.493 17 G N 0.509 109.363 108.800 0.089 0.000 2.645 17 G HA2 -0.332 3.616 3.960 -0.021 0.000 0.246 17 G HA3 -0.332 3.616 3.960 -0.021 0.000 0.246 17 G C -0.116 174.907 174.900 0.205 0.000 1.322 17 G CA 0.360 45.524 45.100 0.106 0.000 0.898 17 G HN 0.723 nan 8.290 nan 0.000 0.573 18 N N 0.010 118.829 118.700 0.199 0.000 2.299 18 N HA 0.077 4.804 4.740 -0.021 0.000 0.187 18 N C 0.631 176.244 175.510 0.172 0.000 1.099 18 N CA -0.330 52.915 53.050 0.325 0.000 0.867 18 N CB 0.231 38.869 38.487 0.252 0.000 0.974 18 N HN 0.233 nan 8.380 nan 0.000 0.477 19 K N 2.062 122.496 120.400 0.058 0.000 2.368 19 K HA 0.200 4.508 4.320 -0.021 0.000 0.282 19 K C -0.489 176.014 176.600 -0.162 0.000 1.035 19 K CA 0.048 56.310 56.287 -0.041 0.000 0.973 19 K CB 0.478 32.964 32.500 -0.024 0.000 0.957 19 K HN 0.126 nan 8.250 nan 0.000 0.474 20 L N 3.141 124.206 121.223 -0.264 0.000 2.325 20 L HA 0.279 4.607 4.340 -0.021 0.000 0.279 20 L C 1.422 178.155 176.870 -0.230 0.000 1.054 20 L CA -0.428 54.179 54.840 -0.388 0.000 0.804 20 L CB 1.518 43.265 42.059 -0.520 0.000 1.200 20 L HN 0.642 nan 8.230 nan 0.000 0.436 21 T N 0.450 114.880 114.554 -0.206 0.000 3.042 21 T HA 0.176 4.513 4.350 -0.021 0.000 0.245 21 T C 0.794 175.410 174.700 -0.140 0.000 1.029 21 T CA 0.363 62.379 62.100 -0.139 0.000 1.120 21 T CB 0.416 69.218 68.868 -0.110 0.000 0.917 21 T HN 0.666 nan 8.240 nan 0.000 0.467 22 A N 1.453 124.173 122.820 -0.166 0.000 2.250 22 A HA 0.400 4.707 4.320 -0.021 0.000 0.283 22 A C 1.126 178.623 177.584 -0.145 0.000 1.206 22 A CA -0.273 51.681 52.037 -0.138 0.000 0.840 22 A CB 0.446 19.371 19.000 -0.125 0.000 1.220 22 A HN 0.277 nan 8.150 nan 0.000 0.505 23 K N -0.369 119.968 120.400 -0.104 0.000 2.366 23 K HA 0.063 4.371 4.320 -0.021 0.000 0.198 23 K C 0.389 176.930 176.600 -0.098 0.000 1.044 23 K CA 1.152 57.387 56.287 -0.088 0.000 0.973 23 K CB -0.110 32.360 32.500 -0.050 0.000 0.767 23 K HN 0.719 nan 8.250 nan 0.000 0.475 24 S N -2.229 113.404 115.700 -0.111 0.000 2.611 24 S HA 0.152 4.609 4.470 -0.021 0.000 0.268 24 S C -0.457 174.090 174.600 -0.088 0.000 1.156 24 S CA -1.051 57.093 58.200 -0.093 0.000 0.817 24 S CB -0.128 63.087 63.200 0.025 0.000 1.122 24 S HN 0.266 nan 8.310 nan 0.000 0.466 25 W N 0.505 121.832 121.300 0.045 0.000 2.374 25 W HA 0.107 4.754 4.660 -0.021 0.000 0.288 25 W C 2.004 178.578 176.519 0.092 0.000 1.218 25 W CA 0.584 57.966 57.345 0.061 0.000 1.245 25 W CB -0.211 29.285 29.460 0.060 0.000 1.126 25 W HN 0.543 nan 8.180 nan 0.000 0.545 26 L N -0.207 121.199 121.223 0.305 0.000 2.201 26 L HA -0.157 4.171 4.340 -0.021 0.000 0.212 26 L C 2.428 179.430 176.870 0.220 0.000 1.105 26 L CA 1.756 56.753 54.840 0.262 0.000 0.775 26 L CB -1.109 41.067 42.059 0.196 0.000 0.913 26 L HN 0.104 nan 8.230 nan 0.000 0.440 27 T N -4.998 109.633 114.554 0.129 0.000 3.015 27 T HA -0.029 4.309 4.350 -0.021 0.000 0.250 27 T C 1.558 176.263 174.700 0.009 0.000 1.057 27 T CA 0.313 62.446 62.100 0.054 0.000 1.066 27 T CB 0.307 69.180 68.868 0.008 0.000 0.959 27 T HN 0.100 nan 8.240 nan 0.000 0.488 28 E N 2.105 122.321 120.200 0.027 0.000 2.152 28 E HA 0.200 4.537 4.350 -0.021 0.000 0.192 28 E C 2.251 178.914 176.600 0.105 0.000 0.983 28 E CA 1.117 57.508 56.400 -0.014 0.000 0.818 28 E CB -0.671 28.927 29.700 -0.170 0.000 0.758 28 E HN 0.555 nan 8.360 nan 0.000 0.467 29 A N 1.665 124.636 122.820 0.253 0.000 1.858 29 A HA -0.083 4.224 4.320 -0.021 0.000 0.216 29 A C -0.158 177.509 177.584 0.138 0.000 1.190 29 A CA 1.709 53.950 52.037 0.338 0.000 0.617 29 A CB -1.759 17.563 19.000 0.537 0.000 0.827 29 A HN 0.408 nan 8.150 nan 0.000 0.443 30 P HA -0.128 nan 4.420 nan 0.000 0.218 30 P C 1.774 178.799 177.300 -0.458 0.000 1.149 30 P CA 1.000 63.626 63.100 -0.790 0.000 0.817 30 P CB -0.148 30.995 31.700 -0.929 0.000 0.785 31 L N -0.286 120.761 121.223 -0.293 0.000 2.056 31 L HA -0.101 4.226 4.340 -0.021 0.000 0.207 31 L C 2.826 179.579 176.870 -0.194 0.000 1.078 31 L CA 1.594 56.258 54.840 -0.293 0.000 0.749 31 L CB -0.307 41.635 42.059 -0.196 0.000 0.901 31 L HN -0.214 nan 8.230 nan 0.000 0.433 32 R N -1.041 119.423 120.500 -0.061 0.000 2.073 32 R HA -0.087 4.241 4.340 -0.021 0.000 0.229 32 R C 2.190 178.513 176.300 0.038 0.000 1.120 32 R CA 1.343 57.454 56.100 0.018 0.000 0.967 32 R CB -0.303 30.060 30.300 0.106 0.000 0.862 32 R HN 0.344 nan 8.270 nan 0.000 0.436 33 M N 0.577 120.224 119.600 0.078 0.000 2.175 33 M HA -0.096 4.371 4.480 -0.021 0.000 0.264 33 M C 2.255 178.605 176.300 0.084 0.000 1.063 33 M CA 1.062 56.471 55.300 0.181 0.000 1.119 33 M CB -0.946 31.910 32.600 0.428 0.000 1.377 33 M HN 0.140 nan 8.290 nan 0.000 0.415 34 L N 0.842 121.935 121.223 -0.216 0.000 1.989 34 L HA -0.169 4.158 4.340 -0.021 0.000 0.211 34 L C 2.222 179.004 176.870 -0.147 0.000 1.071 34 L CA 2.003 56.511 54.840 -0.553 0.000 0.749 34 L CB -0.778 40.599 42.059 -1.137 0.000 0.890 34 L HN 0.240 nan 8.230 nan 0.000 0.431 35 M N -0.597 118.964 119.600 -0.065 0.000 2.159 35 M HA -0.190 4.278 4.480 -0.021 0.000 0.263 35 M C 2.092 178.449 176.300 0.095 0.000 1.063 35 M CA 1.932 57.274 55.300 0.070 0.000 1.110 35 M CB -0.584 32.056 32.600 0.066 0.000 1.374 35 M HN 0.461 nan 8.290 nan 0.000 0.411 36 N N 0.843 119.601 118.700 0.098 0.000 2.166 36 N HA -0.173 4.554 4.740 -0.021 0.000 0.186 36 N C 1.210 176.832 175.510 0.187 0.000 1.019 36 N CA 1.479 54.609 53.050 0.134 0.000 0.856 36 N CB -0.191 38.380 38.487 0.139 0.000 0.993 36 N HN 0.177 nan 8.380 nan 0.000 0.426 37 N N -0.427 118.400 118.700 0.212 0.000 2.430 37 N HA -0.024 4.704 4.740 -0.021 0.000 0.186 37 N C 0.541 176.182 175.510 0.219 0.000 1.032 37 N CA 0.671 53.889 53.050 0.279 0.000 0.893 37 N CB 0.018 38.687 38.487 0.303 0.000 0.957 37 N HN 0.365 nan 8.380 nan 0.000 0.442 38 L N -0.770 120.550 121.223 0.162 0.000 2.857 38 L HA 0.180 4.508 4.340 -0.021 0.000 0.249 38 L C 0.220 177.175 176.870 0.142 0.000 1.172 38 L CA -0.275 54.645 54.840 0.133 0.000 0.980 38 L CB 0.196 42.300 42.059 0.075 0.000 1.299 38 L HN 0.039 nan 8.230 nan 0.000 0.535 39 D N 1.563 122.057 120.400 0.156 0.000 2.455 39 D HA 0.004 4.632 4.640 -0.021 0.000 0.241 39 D C -1.616 174.776 176.300 0.153 0.000 1.138 39 D CA -1.253 52.830 54.000 0.139 0.000 0.877 39 D CB 1.898 42.783 40.800 0.141 0.000 1.187 39 D HN -0.078 nan 8.370 nan 0.000 0.451 40 P HA -0.146 nan 4.420 nan 0.000 0.218 40 P C 0.959 178.317 177.300 0.095 0.000 1.146 40 P CA 1.143 64.289 63.100 0.077 0.000 0.813 40 P CB 0.168 31.884 31.700 0.026 0.000 0.778 41 Q N -0.992 118.897 119.800 0.148 0.000 2.424 41 Q HA 0.005 4.332 4.340 -0.021 0.000 0.204 41 Q C 1.233 177.462 176.000 0.380 0.000 0.933 41 Q CA 0.590 56.529 55.803 0.227 0.000 0.929 41 Q CB 0.144 28.983 28.738 0.168 0.000 1.037 41 Q HN 0.075 nan 8.270 nan 0.000 0.511 42 V N -0.032 120.085 119.914 0.337 0.000 2.721 42 V HA 0.287 4.394 4.120 -0.021 0.000 0.236 42 V C 0.962 177.324 176.094 0.446 0.000 1.116 42 V CA 0.667 63.173 62.300 0.343 0.000 1.148 42 V CB -0.062 31.935 31.823 0.290 0.000 0.886 42 V HN 0.335 nan 8.190 nan 0.000 0.490 43 A N 0.299 123.350 122.820 0.386 0.000 2.366 43 A HA 0.261 4.569 4.320 -0.021 0.000 0.249 43 A C 1.142 178.958 177.584 0.386 0.000 1.084 43 A CA -0.061 52.168 52.037 0.321 0.000 0.794 43 A CB 0.231 19.363 19.000 0.220 0.000 1.034 43 A HN 0.373 nan 8.150 nan 0.000 0.491 44 E N -0.000 120.377 120.200 0.295 0.000 2.190 44 E HA -0.033 4.304 4.350 -0.021 0.000 0.191 44 E C -0.088 176.672 176.600 0.267 0.000 0.978 44 E CA 0.825 57.420 56.400 0.326 0.000 0.839 44 E CB 0.159 29.989 29.700 0.217 0.000 0.787 44 E HN 0.616 nan 8.360 nan 0.000 0.473 45 N N -0.268 118.556 118.700 0.208 0.000 2.679 45 N HA 0.070 4.797 4.740 -0.021 0.000 0.240 45 N C -2.297 173.322 175.510 0.180 0.000 1.537 45 N CA -1.088 52.074 53.050 0.186 0.000 0.793 45 N CB 0.828 39.423 38.487 0.181 0.000 1.391 45 N HN -0.201 nan 8.380 nan 0.000 0.524 46 P HA -0.172 nan 4.420 nan 0.000 0.218 46 P C 0.859 178.309 177.300 0.249 0.000 1.148 46 P CA 1.087 64.290 63.100 0.171 0.000 0.822 46 P CB 0.524 32.318 31.700 0.156 0.000 0.784 47 K N -0.096 120.445 120.400 0.235 0.000 2.280 47 K HA -0.108 4.200 4.320 -0.021 0.000 0.202 47 K C 1.421 178.276 176.600 0.425 0.000 1.047 47 K CA 1.020 57.446 56.287 0.232 0.000 0.942 47 K CB -0.098 32.494 32.500 0.154 0.000 0.739 47 K HN 0.329 nan 8.250 nan 0.000 0.457 48 E N 0.230 120.655 120.200 0.376 0.000 2.496 48 E HA 0.136 4.474 4.350 -0.021 0.000 0.200 48 E C -0.070 176.621 176.600 0.150 0.000 1.016 48 E CA -0.085 56.523 56.400 0.346 0.000 0.962 48 E CB 0.264 30.134 29.700 0.282 0.000 1.071 48 E HN 0.128 nan 8.360 nan 0.000 0.457 49 L N -0.560 120.700 121.223 0.062 0.000 4.988 49 L HA -0.242 4.086 4.340 -0.021 0.000 0.439 49 L C 0.002 176.854 176.870 -0.030 0.000 1.080 49 L CA 0.162 54.901 54.840 -0.167 0.000 1.018 49 L CB -1.512 40.297 42.059 -0.417 0.000 1.945 49 L HN 0.037 nan 8.230 nan 0.000 0.782 50 V N 0.651 120.599 119.914 0.056 0.000 2.470 50 V HA 0.066 4.174 4.120 -0.021 0.000 0.276 50 V C 1.358 177.488 176.094 0.059 0.000 1.040 50 V CA 0.419 62.757 62.300 0.063 0.000 1.008 50 V CB 1.452 33.340 31.823 0.107 0.000 0.990 50 V HN 0.133 nan 8.190 nan 0.000 0.477 51 V N 4.918 124.830 119.914 -0.003 0.000 2.436 51 V HA 0.183 4.291 4.120 -0.021 0.000 0.240 51 V C 0.270 176.352 176.094 -0.020 0.000 1.040 51 V CA 1.207 63.488 62.300 -0.031 0.000 1.052 51 V CB -0.399 31.367 31.823 -0.095 0.000 0.707 51 V HN 0.963 nan 8.190 nan 0.000 0.469 52 Y N -2.757 117.422 120.300 -0.201 0.000 2.891 52 Y HA 0.580 5.118 4.550 -0.020 0.000 0.361 52 Y C 0.145 176.045 175.900 0.000 0.000 1.255 52 Y CA -0.952 57.076 58.100 -0.121 0.000 1.103 52 Y CB 0.514 38.819 38.460 -0.259 0.000 1.454 52 Y HN 0.414 nan 8.280 nan 0.000 0.449 53 G N 1.445 110.303 108.800 0.097 0.000 2.370 53 G HA2 0.314 4.262 3.960 -0.021 0.000 0.293 53 G HA3 0.314 4.262 3.960 -0.021 0.000 0.293 53 G C 1.058 176.114 174.900 0.261 0.000 0.992 53 G CA 1.556 46.709 45.100 0.088 0.000 1.247 53 G HN 2.851 nan 8.290 nan 0.000 0.505 54 G N 0.102 109.088 108.800 0.311 0.000 2.536 54 G HA2 -0.100 3.848 3.960 -0.021 0.000 0.277 54 G HA3 -0.100 3.848 3.960 -0.021 0.000 0.277 54 G C 0.705 175.708 174.900 0.172 0.000 1.155 54 G CA 0.613 45.861 45.100 0.247 0.000 0.960 54 G HN 1.821 nan 8.290 nan 0.000 0.544 55 I N 3.745 124.423 120.570 0.180 0.000 3.626 55 I HA 0.564 4.721 4.170 -0.021 0.000 0.345 55 I C 1.316 177.593 176.117 0.267 0.000 1.502 55 I CA 0.068 61.476 61.300 0.180 0.000 1.135 55 I CB -0.361 37.712 38.000 0.123 0.000 1.456 55 I HN 0.931 nan 8.210 nan 0.000 0.460 56 G N 2.814 111.673 108.800 0.099 0.000 2.356 56 G HA2 0.311 4.259 3.960 -0.021 0.000 0.273 56 G HA3 0.311 4.259 3.960 -0.021 0.000 0.273 56 G C 0.018 174.849 174.900 -0.116 0.000 1.213 56 G CA -0.424 44.569 45.100 -0.179 0.000 0.955 56 G HN 0.369 nan 8.290 nan 0.000 0.454 57 R N 1.622 122.106 120.500 -0.027 0.000 2.787 57 R HA 0.531 4.858 4.340 -0.021 0.000 0.271 57 R C 0.880 177.213 176.300 0.056 0.000 0.993 57 R CA -0.506 55.602 56.100 0.014 0.000 0.993 57 R CB 1.959 32.287 30.300 0.047 0.000 1.155 57 R HN 0.483 nan 8.270 nan 0.000 0.486 58 A N 0.751 123.628 122.820 0.094 0.000 2.081 58 A HA 0.336 4.643 4.320 -0.021 0.000 0.214 58 A C 0.471 178.256 177.584 0.335 0.000 1.158 58 A CA 1.172 53.370 52.037 0.269 0.000 0.724 58 A CB 0.236 19.363 19.000 0.211 0.000 0.826 58 A HN 0.656 nan 8.150 nan 0.000 0.463 59 A N -1.868 121.032 122.820 0.133 0.000 2.609 59 A HA 0.625 4.932 4.320 -0.021 0.000 0.291 59 A C 0.606 178.203 177.584 0.020 0.000 1.096 59 A CA -0.070 52.038 52.037 0.117 0.000 0.684 59 A CB 0.460 19.524 19.000 0.108 0.000 1.282 59 A HN 0.150 nan 8.150 nan 0.000 0.412 60 R N 0.010 120.533 120.500 0.037 0.000 2.081 60 R HA -0.127 4.201 4.340 -0.021 0.000 0.235 60 R C 0.260 176.549 176.300 -0.017 0.000 1.131 60 R CA 2.338 58.452 56.100 0.023 0.000 0.960 60 R CB -0.153 30.166 30.300 0.032 0.000 0.856 60 R HN 0.919 nan 8.270 nan 0.000 0.436 61 N N -4.281 114.390 118.700 -0.049 0.000 3.179 61 N HA 0.002 4.729 4.740 -0.021 0.000 0.250 61 N C -0.655 174.802 175.510 -0.089 0.000 1.507 61 N CA -0.787 52.218 53.050 -0.075 0.000 0.883 61 N CB -0.537 37.978 38.487 0.046 0.000 1.435 61 N HN -0.081 nan 8.380 nan 0.000 0.532 62 W N -0.247 121.100 121.300 0.079 0.000 2.425 62 W HA 0.107 4.753 4.660 -0.023 0.000 0.277 62 W C 2.028 178.623 176.519 0.126 0.000 1.231 62 W CA 0.919 58.316 57.345 0.086 0.000 1.248 62 W CB 0.120 29.583 29.460 0.006 0.000 1.117 62 W HN 0.738 nan 8.180 nan 0.000 0.568 63 E N -0.427 119.937 120.200 0.273 0.000 2.047 63 E HA -0.214 4.123 4.350 -0.021 0.000 0.191 63 E C 1.855 178.541 176.600 0.143 0.000 0.987 63 E CA 1.679 58.188 56.400 0.182 0.000 0.799 63 E CB -0.356 29.418 29.700 0.122 0.000 0.752 63 E HN 0.164 nan 8.360 nan 0.000 0.449 64 C N 0.341 119.711 119.300 0.116 0.000 2.432 64 C HA -0.092 4.355 4.460 -0.021 0.000 0.280 64 C C 2.416 177.451 174.990 0.074 0.000 1.353 64 C CA 0.515 59.580 59.018 0.078 0.000 1.766 64 C CB -1.222 26.555 27.740 0.063 0.000 1.924 64 C HN 0.573 nan 8.230 nan 0.000 0.509 65 Y N 2.342 122.638 120.300 -0.008 0.000 2.163 65 Y HA -0.159 4.379 4.550 -0.020 0.000 0.288 65 Y C 2.141 178.049 175.900 0.014 0.000 1.136 65 Y CA 1.982 60.059 58.100 -0.038 0.000 1.147 65 Y CB -0.408 37.992 38.460 -0.099 0.000 0.987 65 Y HN 0.295 nan 8.280 nan 0.000 0.509 66 D N 0.249 120.735 120.400 0.144 0.000 2.117 66 D HA -0.174 4.454 4.640 -0.021 0.000 0.197 66 D C 1.972 178.223 176.300 -0.081 0.000 0.987 66 D CA 1.431 55.450 54.000 0.033 0.000 0.829 66 D CB -0.233 40.652 40.800 0.142 0.000 0.961 66 D HN 0.195 nan 8.370 nan 0.000 0.460 67 K N 1.709 122.086 120.400 -0.037 0.000 2.097 67 K HA -0.086 4.222 4.320 -0.021 0.000 0.206 67 K C 2.223 178.768 176.600 -0.091 0.000 1.049 67 K CA 0.700 56.960 56.287 -0.045 0.000 0.933 67 K CB -0.602 31.894 32.500 -0.006 0.000 0.717 67 K HN 0.370 nan 8.250 nan 0.000 0.442 68 I N -2.472 118.017 120.570 -0.136 0.000 2.202 68 I HA -0.160 3.997 4.170 -0.021 0.000 0.242 68 I C 1.757 177.721 176.117 -0.254 0.000 1.091 68 I CA 1.077 62.284 61.300 -0.156 0.000 1.368 68 I CB -0.779 37.136 38.000 -0.141 0.000 1.058 68 I HN -0.187 nan 8.210 nan 0.000 0.410 69 V N 1.728 121.404 119.914 -0.398 0.000 2.332 69 V HA -0.301 3.807 4.120 -0.021 0.000 0.248 69 V C 2.786 178.751 176.094 -0.215 0.000 1.055 69 V CA 2.514 64.589 62.300 -0.376 0.000 1.038 69 V CB -0.988 30.570 31.823 -0.442 0.000 0.651 69 V HN 0.556 nan 8.190 nan 0.000 0.450 70 E N 0.114 120.216 120.200 -0.163 0.000 2.031 70 E HA -0.229 4.108 4.350 -0.021 0.000 0.193 70 E C 2.249 178.794 176.600 -0.091 0.000 0.994 70 E CA 2.064 58.403 56.400 -0.103 0.000 0.800 70 E CB -0.162 29.495 29.700 -0.071 0.000 0.752 70 E HN 0.662 nan 8.360 nan 0.000 0.447 71 T N 1.681 116.183 114.554 -0.087 0.000 2.746 71 T HA -0.159 4.178 4.350 -0.021 0.000 0.267 71 T C 1.809 176.467 174.700 -0.070 0.000 1.039 71 T CA 0.869 62.930 62.100 -0.066 0.000 1.142 71 T CB -0.244 68.595 68.868 -0.048 0.000 0.866 71 T HN 0.061 nan 8.240 nan 0.000 0.444 72 L N 1.379 122.543 121.223 -0.097 0.000 2.079 72 L HA -0.098 4.230 4.340 -0.021 0.000 0.210 72 L C 2.695 179.509 176.870 -0.093 0.000 1.081 72 L CA 1.730 56.510 54.840 -0.101 0.000 0.752 72 L CB -1.545 40.411 42.059 -0.171 0.000 0.896 72 L HN 0.283 nan 8.230 nan 0.000 0.433 73 T N -0.499 113.994 114.554 -0.103 0.000 2.833 73 T HA -0.169 4.169 4.350 -0.021 0.000 0.269 73 T C 1.654 176.311 174.700 -0.072 0.000 1.054 73 T CA 1.622 63.666 62.100 -0.092 0.000 1.135 73 T CB -0.131 68.682 68.868 -0.091 0.000 0.869 73 T HN 0.416 nan 8.240 nan 0.000 0.466 74 R N 0.223 120.686 120.500 -0.061 0.000 2.334 74 R HA 0.372 4.700 4.340 -0.021 0.000 0.212 74 R C 0.355 176.632 176.300 -0.038 0.000 0.897 74 R CA -0.282 55.789 56.100 -0.048 0.000 1.056 74 R CB -0.888 29.385 30.300 -0.045 0.000 1.046 74 R HN 0.151 nan 8.270 nan 0.000 0.513 75 L N 2.590 123.791 121.223 -0.036 0.000 2.578 75 L HA -0.014 4.313 4.340 -0.021 0.000 0.279 75 L C 0.102 176.966 176.870 -0.010 0.000 1.227 75 L CA 0.784 55.612 54.840 -0.019 0.000 0.900 75 L CB 0.298 42.351 42.059 -0.009 0.000 1.144 75 L HN 0.230 nan 8.230 nan 0.000 0.496 76 E N 2.485 122.684 120.200 -0.002 0.000 2.385 76 E HA 0.034 4.371 4.350 -0.021 0.000 0.254 76 E C 0.678 177.291 176.600 0.021 0.000 1.228 76 E CA 0.311 56.715 56.400 0.006 0.000 0.956 76 E CB 0.421 30.125 29.700 0.008 0.000 1.116 76 E HN 0.742 nan 8.360 nan 0.000 0.507 77 D N -0.762 119.655 120.400 0.028 0.000 2.269 77 D HA -0.157 4.471 4.640 -0.021 0.000 0.208 77 D C 0.598 176.924 176.300 0.044 0.000 0.963 77 D CA 0.874 54.899 54.000 0.041 0.000 0.864 77 D CB 0.018 40.846 40.800 0.046 0.000 0.936 77 D HN 0.308 nan 8.370 nan 0.000 0.505 78 D N -0.461 119.965 120.400 0.043 0.000 2.402 78 D HA 0.078 4.706 4.640 -0.021 0.000 0.216 78 D C -0.217 176.110 176.300 0.045 0.000 1.128 78 D CA -0.345 53.685 54.000 0.050 0.000 0.833 78 D CB -0.389 40.452 40.800 0.067 0.000 0.971 78 D HN 0.257 nan 8.370 nan 0.000 0.503 79 E N -0.252 119.971 120.200 0.038 0.000 2.202 79 E HA 0.511 4.849 4.350 -0.021 0.000 0.272 79 E C -0.772 175.859 176.600 0.052 0.000 0.951 79 E CA -0.665 55.761 56.400 0.043 0.000 0.813 79 E CB 1.760 31.473 29.700 0.022 0.000 1.151 79 E HN -0.116 nan 8.360 nan 0.000 0.398 80 T N 2.360 116.963 114.554 0.081 0.000 2.809 80 T HA 0.269 4.607 4.350 -0.021 0.000 0.284 80 T C -0.889 173.885 174.700 0.124 0.000 0.992 80 T CA -0.660 61.498 62.100 0.097 0.000 0.957 80 T CB 0.623 69.550 68.868 0.098 0.000 0.942 80 T HN 0.184 nan 8.240 nan 0.000 0.439 81 L N 5.014 126.298 121.223 0.100 0.000 2.331 81 L HA 0.548 4.876 4.340 -0.021 0.000 0.278 81 L C -0.989 175.955 176.870 0.124 0.000 1.106 81 L CA -0.240 54.659 54.840 0.099 0.000 0.824 81 L CB 0.200 42.306 42.059 0.078 0.000 1.142 81 L HN 0.571 nan 8.230 nan 0.000 0.443 82 L N 6.186 127.497 121.223 0.147 0.000 2.282 82 L HA 0.517 4.844 4.340 -0.021 0.000 0.288 82 L C -0.736 176.195 176.870 0.103 0.000 1.033 82 L CA -0.851 54.069 54.840 0.134 0.000 0.807 82 L CB 1.665 43.835 42.059 0.185 0.000 1.209 82 L HN 0.343 nan 8.230 nan 0.000 0.423 83 V N 3.574 123.532 119.914 0.074 0.000 2.357 83 V HA 0.282 4.390 4.120 -0.021 0.000 0.284 83 V C -0.094 176.027 176.094 0.044 0.000 1.018 83 V CA -0.526 61.814 62.300 0.066 0.000 0.841 83 V CB 1.652 33.503 31.823 0.046 0.000 0.991 83 V HN 0.691 nan 8.190 nan 0.000 0.437 84 Q N 3.087 122.916 119.800 0.049 0.000 2.368 84 Q HA 0.303 4.630 4.340 -0.021 0.000 0.263 84 Q C 0.104 176.122 176.000 0.030 0.000 1.009 84 Q CA -0.165 55.660 55.803 0.036 0.000 0.818 84 Q CB 1.508 30.268 28.738 0.037 0.000 1.239 84 Q HN 0.870 nan 8.270 nan 0.000 0.464 85 S N 3.244 118.955 115.700 0.017 0.000 3.550 85 S HA -0.227 4.230 4.470 -0.021 0.000 0.372 85 S C 0.765 175.388 174.600 0.038 0.000 0.966 85 S CA 1.165 59.378 58.200 0.021 0.000 1.229 85 S CB -1.638 61.583 63.200 0.035 0.000 0.917 85 S HN 1.193 nan 8.310 nan 0.000 0.496 86 G N 0.182 109.010 108.800 0.046 0.000 2.160 86 G HA2 -0.313 3.634 3.960 -0.021 0.000 0.251 86 G HA3 -0.313 3.634 3.960 -0.021 0.000 0.251 86 G C -0.278 174.681 174.900 0.097 0.000 1.008 86 G CA 0.795 45.954 45.100 0.098 0.000 0.724 86 G HN 0.826 nan 8.290 nan 0.000 0.514 87 K N 0.668 121.114 120.400 0.077 0.000 2.426 87 K HA 0.544 4.851 4.320 -0.021 0.000 0.254 87 K C -2.722 173.921 176.600 0.071 0.000 0.936 87 K CA -2.401 53.925 56.287 0.066 0.000 0.801 87 K CB 2.674 35.200 32.500 0.045 0.000 1.139 87 K HN -0.040 nan 8.250 nan 0.000 0.424 88 P HA 0.030 nan 4.420 nan 0.000 0.268 88 P C 0.684 178.012 177.300 0.046 0.000 1.541 88 P CA -0.312 62.824 63.100 0.061 0.000 1.093 88 P CB 0.609 32.333 31.700 0.039 0.000 1.551 89 V N 1.485 121.436 119.914 0.062 0.000 3.052 89 V HA 0.444 4.552 4.120 -0.021 0.000 0.254 89 V C 0.819 176.954 176.094 0.068 0.000 1.100 89 V CA 0.945 63.282 62.300 0.062 0.000 1.112 89 V CB -0.618 31.249 31.823 0.073 0.000 0.738 89 V HN 0.505 nan 8.190 nan 0.000 0.469 90 G N -1.067 107.784 108.800 0.085 0.000 2.632 90 G HA2 0.562 4.509 3.960 -0.021 0.000 0.292 90 G HA3 0.562 4.509 3.960 -0.021 0.000 0.292 90 G C -1.904 172.975 174.900 -0.035 0.000 1.465 90 G CA -0.251 44.857 45.100 0.013 0.000 0.824 90 G HN 0.266 nan 8.290 nan 0.000 0.509 91 V N 0.712 120.415 119.914 -0.351 0.000 2.577 91 V HA 0.733 4.841 4.120 -0.021 0.000 0.303 91 V C -1.113 174.660 176.094 -0.534 0.000 1.042 91 V CA -0.578 61.584 62.300 -0.231 0.000 0.872 91 V CB 1.101 32.835 31.823 -0.150 0.000 0.998 91 V HN 0.599 nan 8.190 nan 0.000 0.423 92 F N 2.149 122.107 119.950 0.014 0.000 2.577 92 F HA 0.660 5.175 4.527 -0.021 0.000 0.318 92 F C 0.155 175.966 175.800 0.017 0.000 1.065 92 F CA -1.264 56.745 58.000 0.015 0.000 0.929 92 F CB 1.751 40.761 39.000 0.016 0.000 1.237 92 F HN 0.192 nan 8.300 nan 0.000 0.468 93 K N 0.905 121.424 120.400 0.199 0.000 2.322 93 K HA 0.531 4.838 4.320 -0.021 0.000 0.283 93 K C -0.001 176.680 176.600 0.136 0.000 1.042 93 K CA 0.156 56.520 56.287 0.128 0.000 0.958 93 K CB 0.878 33.436 32.500 0.097 0.000 0.984 93 K HN 0.708 nan 8.250 nan 0.000 0.473 94 T N 1.352 115.969 114.554 0.105 0.000 1.559 94 T HA 0.357 4.695 4.350 -0.021 0.000 0.177 94 T C -1.023 173.773 174.700 0.161 0.000 0.688 94 T CA -0.495 61.666 62.100 0.103 0.000 1.094 94 T CB 0.098 68.960 68.868 -0.010 0.000 3.358 94 T HN 0.828 nan 8.240 nan 0.000 0.413 95 H N -1.185 117.919 119.070 0.056 0.000 3.042 95 H HA 0.557 5.100 4.556 -0.020 0.000 0.346 95 H C 0.725 176.085 175.328 0.055 0.000 1.294 95 H CA -0.162 55.915 56.048 0.049 0.000 1.141 95 H CB 0.547 30.332 29.762 0.040 0.000 1.872 95 H HN 0.336 nan 8.280 nan 0.000 0.541 96 S N 0.302 116.077 115.700 0.126 0.000 2.465 96 S HA -0.173 4.285 4.470 -0.021 0.000 0.241 96 S C 0.622 175.265 174.600 0.072 0.000 1.000 96 S CA 1.216 59.464 58.200 0.079 0.000 0.964 96 S CB -0.393 62.865 63.200 0.098 0.000 0.763 96 S HN 0.688 nan 8.310 nan 0.000 0.512 97 N N 1.657 120.451 118.700 0.157 0.000 2.268 97 N HA 0.422 5.149 4.740 -0.021 0.000 0.204 97 N C 0.150 175.649 175.510 -0.018 0.000 1.124 97 N CA 0.474 53.613 53.050 0.148 0.000 0.838 97 N CB 0.717 39.370 38.487 0.277 0.000 0.994 97 N HN 0.595 nan 8.380 nan 0.000 0.489 98 A N 1.161 123.769 122.820 -0.354 0.000 2.288 98 A HA 0.717 5.024 4.320 -0.021 0.000 0.328 98 A C -2.502 175.018 177.584 -0.108 0.000 1.123 98 A CA -1.535 50.307 52.037 -0.326 0.000 0.861 98 A CB 0.609 19.232 19.000 -0.629 0.000 1.272 98 A HN -0.130 nan 8.150 nan 0.000 0.490 99 P HA 0.200 nan 4.420 nan 0.000 0.271 99 P C 0.292 177.637 177.300 0.075 0.000 1.218 99 P CA -0.285 62.853 63.100 0.063 0.000 0.780 99 P CB 0.512 32.263 31.700 0.086 0.000 0.901 100 R N 0.911 121.494 120.500 0.139 0.000 2.161 100 R HA 0.122 4.449 4.340 -0.021 0.000 0.213 100 R C 0.069 176.444 176.300 0.125 0.000 1.055 100 R CA 0.707 56.880 56.100 0.120 0.000 0.996 100 R CB -0.302 30.083 30.300 0.141 0.000 0.901 100 R HN 0.321 nan 8.270 nan 0.000 0.456 101 V N 1.659 121.674 119.914 0.169 0.000 2.686 101 V HA 0.322 4.430 4.120 -0.021 0.000 0.306 101 V C -1.007 175.170 176.094 0.138 0.000 1.065 101 V CA -1.029 61.356 62.300 0.141 0.000 0.894 101 V CB 2.482 34.378 31.823 0.121 0.000 1.004 101 V HN -0.153 nan 8.190 nan 0.000 0.424 102 L N 5.396 126.673 121.223 0.091 0.000 2.325 102 L HA 0.636 4.963 4.340 -0.021 0.000 0.281 102 L C -0.397 176.498 176.870 0.043 0.000 1.004 102 L CA -0.224 54.658 54.840 0.069 0.000 0.823 102 L CB 1.393 43.485 42.059 0.055 0.000 1.236 102 L HN 0.501 nan 8.230 nan 0.000 0.415 103 I N 2.932 123.522 120.570 0.034 0.000 2.406 103 I HA 0.715 4.873 4.170 -0.021 0.000 0.290 103 I C -0.152 176.015 176.117 0.083 0.000 0.999 103 I CA -0.675 60.635 61.300 0.017 0.000 1.124 103 I CB 1.992 39.956 38.000 -0.058 0.000 1.289 103 I HN 0.665 nan 8.210 nan 0.000 0.441 104 A N 6.015 128.874 122.820 0.065 0.000 2.410 104 A HA 0.653 4.960 4.320 -0.021 0.000 0.289 104 A C -1.084 176.515 177.584 0.025 0.000 1.200 104 A CA -0.685 51.399 52.037 0.078 0.000 0.751 104 A CB 0.576 19.603 19.000 0.045 0.000 1.161 104 A HN 0.673 nan 8.150 nan 0.000 0.459 105 N N 0.816 119.492 118.700 -0.040 0.000 2.284 105 N HA 0.503 5.231 4.740 -0.021 0.000 0.300 105 N C 0.246 175.728 175.510 -0.046 0.000 1.047 105 N CA 0.228 53.182 53.050 -0.160 0.000 0.821 105 N CB 1.748 39.926 38.487 -0.515 0.000 1.337 105 N HN 0.651 nan 8.380 nan 0.000 0.482 106 S N -0.285 115.476 115.700 0.102 0.000 3.127 106 S HA -0.186 4.272 4.470 -0.021 0.000 0.281 106 S C 0.069 174.865 174.600 0.327 0.000 1.293 106 S CA 0.380 58.748 58.200 0.280 0.000 1.156 106 S CB -1.464 61.923 63.200 0.311 0.000 1.389 106 S HN 0.683 nan 8.310 nan 0.000 0.672 107 N N 1.561 120.362 118.700 0.168 0.000 2.468 107 N HA 0.417 5.144 4.740 -0.021 0.000 0.265 107 N C -0.311 175.190 175.510 -0.015 0.000 1.199 107 N CA 0.569 53.646 53.050 0.046 0.000 0.928 107 N CB 0.436 38.931 38.487 0.012 0.000 1.059 107 N HN 0.450 nan 8.380 nan 0.000 0.467 108 L N 1.612 122.718 121.223 -0.194 0.000 2.401 108 L HA 0.372 4.700 4.340 -0.021 0.000 0.266 108 L C 0.026 176.838 176.870 -0.097 0.000 0.991 108 L CA -1.207 53.592 54.840 -0.068 0.000 0.818 108 L CB 2.199 44.303 42.059 0.075 0.000 1.321 108 L HN 0.091 nan 8.230 nan 0.000 0.413 109 V N 4.182 124.111 119.914 0.025 0.000 2.557 109 V HA -0.062 4.046 4.120 -0.021 0.000 0.301 109 V C -1.194 174.994 176.094 0.156 0.000 1.026 109 V CA -0.422 61.938 62.300 0.099 0.000 1.137 109 V CB 0.647 32.580 31.823 0.183 0.000 0.917 109 V HN 0.719 nan 8.190 nan 0.000 0.484 110 P HA -0.295 nan 4.420 nan 0.000 0.224 110 P C 1.625 178.910 177.300 -0.026 0.000 1.153 110 P CA 1.966 65.057 63.100 -0.015 0.000 0.947 110 P CB -0.001 31.686 31.700 -0.020 0.000 0.790 111 H N -2.756 116.232 119.070 -0.136 0.000 2.518 111 H HA -0.113 4.431 4.556 -0.020 0.000 0.292 111 H C 0.941 175.870 175.328 -0.666 0.000 1.068 111 H CA 1.286 57.034 56.048 -0.499 0.000 1.275 111 H CB -0.392 28.823 29.762 -0.912 0.000 1.375 111 H HN 0.320 nan 8.280 nan 0.000 0.563 112 W N -0.607 120.595 121.300 -0.163 0.000 2.846 112 W HA 0.480 5.127 4.660 -0.021 0.000 0.391 112 W C 0.250 176.706 176.519 -0.104 0.000 1.011 112 W CA 0.038 57.236 57.345 -0.245 0.000 1.832 112 W CB 0.063 29.269 29.460 -0.424 0.000 1.151 112 W HN 0.123 nan 8.180 nan 0.000 0.582 113 A N 2.848 125.696 122.820 0.048 0.000 2.990 113 A HA 0.298 4.606 4.320 -0.021 0.000 0.282 113 A C -0.059 177.537 177.584 0.020 0.000 1.688 113 A CA 0.330 52.407 52.037 0.068 0.000 1.391 113 A CB -1.397 17.584 19.000 -0.032 0.000 1.112 113 A HN 0.384 nan 8.150 nan 0.000 0.588 114 N N -1.687 117.047 118.700 0.056 0.000 2.591 114 N HA 0.358 5.085 4.740 -0.021 0.000 0.263 114 N C 0.058 175.611 175.510 0.073 0.000 1.308 114 N CA -0.995 52.059 53.050 0.005 0.000 0.837 114 N CB 0.362 38.878 38.487 0.047 0.000 1.548 114 N HN 0.244 nan 8.380 nan 0.000 0.493 115 W N 0.000 121.370 121.300 0.116 0.000 2.342 115 W HA -0.086 4.561 4.660 -0.021 0.000 0.297 115 W C 1.456 178.084 176.519 0.181 0.000 1.213 115 W CA 0.831 58.233 57.345 0.095 0.000 1.251 115 W CB 0.038 29.490 29.460 -0.014 0.000 1.136 115 W HN 0.657 nan 8.180 nan 0.000 0.526 116 E N -0.877 119.551 120.200 0.380 0.000 2.038 116 E HA -0.288 4.050 4.350 -0.021 0.000 0.195 116 E C 1.685 178.459 176.600 0.289 0.000 1.000 116 E CA 1.944 58.511 56.400 0.279 0.000 0.803 116 E CB -0.795 29.028 29.700 0.204 0.000 0.750 116 E HN 0.347 nan 8.360 nan 0.000 0.448 117 H N -1.075 118.126 119.070 0.220 0.000 2.395 117 H HA -0.052 4.492 4.556 -0.021 0.000 0.299 117 H C 1.723 177.177 175.328 0.211 0.000 1.070 117 H CA 1.347 57.519 56.048 0.208 0.000 1.356 117 H CB -0.285 29.626 29.762 0.248 0.000 1.401 117 H HN 0.208 nan 8.280 nan 0.000 0.524 118 F N 0.980 121.014 119.950 0.139 0.000 2.095 118 F HA -0.243 4.271 4.527 -0.020 0.000 0.298 118 F C 1.967 177.821 175.800 0.089 0.000 1.104 118 F CA 1.671 59.730 58.000 0.099 0.000 1.232 118 F CB -0.360 38.724 39.000 0.141 0.000 0.987 118 F HN 0.158 nan 8.300 nan 0.000 0.475 119 N N 0.691 119.617 118.700 0.376 0.000 2.120 119 N HA -0.225 4.503 4.740 -0.021 0.000 0.188 119 N C 1.955 177.459 175.510 -0.010 0.000 1.024 119 N CA 1.510 54.684 53.050 0.208 0.000 0.852 119 N CB -0.670 37.963 38.487 0.243 0.000 1.003 119 N HN 0.592 nan 8.380 nan 0.000 0.424 120 E N 1.082 121.256 120.200 -0.044 0.000 2.058 120 E HA -0.142 4.196 4.350 -0.021 0.000 0.194 120 E C 2.018 178.506 176.600 -0.187 0.000 0.997 120 E CA 0.793 57.132 56.400 -0.102 0.000 0.801 120 E CB -0.073 29.555 29.700 -0.120 0.000 0.746 120 E HN 0.272 nan 8.360 nan 0.000 0.450 121 L N 0.934 121.968 121.223 -0.315 0.000 2.046 121 L HA -0.181 4.147 4.340 -0.021 0.000 0.208 121 L C 2.577 179.276 176.870 -0.285 0.000 1.077 121 L CA 1.252 55.902 54.840 -0.316 0.000 0.747 121 L CB -0.453 41.380 42.059 -0.377 0.000 0.896 121 L HN 0.229 nan 8.230 nan 0.000 0.432 122 D N 0.199 120.376 120.400 -0.372 0.000 2.117 122 D HA -0.166 4.461 4.640 -0.021 0.000 0.197 122 D C 2.158 178.383 176.300 -0.126 0.000 0.987 122 D CA 1.427 55.252 54.000 -0.293 0.000 0.829 122 D CB 0.217 40.847 40.800 -0.282 0.000 0.961 122 D HN 0.257 nan 8.370 nan 0.000 0.460 123 A N 0.687 123.452 122.820 -0.092 0.000 1.902 123 A HA -0.156 4.151 4.320 -0.021 0.000 0.217 123 A C 1.981 179.538 177.584 -0.045 0.000 1.181 123 A CA 1.280 53.291 52.037 -0.044 0.000 0.623 123 A CB -0.396 18.587 19.000 -0.028 0.000 0.818 123 A HN 0.214 nan 8.150 nan 0.000 0.443 124 K N -0.761 119.598 120.400 -0.069 0.000 2.569 124 K HA 0.216 4.524 4.320 -0.021 0.000 0.193 124 K C 0.872 177.441 176.600 -0.051 0.000 1.026 124 K CA 0.385 56.639 56.287 -0.054 0.000 1.093 124 K CB -0.365 32.097 32.500 -0.065 0.000 0.849 124 K HN 0.646 nan 8.250 nan 0.000 0.509 125 G N 1.311 110.079 108.800 -0.054 0.000 2.225 125 G HA2 -0.221 3.727 3.960 -0.021 0.000 0.267 125 G HA3 -0.221 3.727 3.960 -0.021 0.000 0.267 125 G C 0.279 175.146 174.900 -0.055 0.000 1.024 125 G CA -0.135 44.941 45.100 -0.040 0.000 0.784 125 G HN 0.212 nan 8.290 nan 0.000 0.507 126 L N -0.355 120.809 121.223 -0.098 0.000 2.857 126 L HA 0.764 5.091 4.340 -0.021 0.000 0.249 126 L C 1.253 178.041 176.870 -0.136 0.000 1.172 126 L CA 0.542 55.322 54.840 -0.101 0.000 0.980 126 L CB -0.163 41.832 42.059 -0.107 0.000 1.299 126 L HN 0.797 nan 8.230 nan 0.000 0.535 127 A N -0.294 122.415 122.820 -0.186 0.000 2.593 127 A HA 0.891 5.199 4.320 -0.021 0.000 0.290 127 A C -1.111 176.414 177.584 -0.098 0.000 1.126 127 A CA -0.451 51.444 52.037 -0.237 0.000 0.695 127 A CB 2.412 20.994 19.000 -0.696 0.000 1.290 127 A HN -0.009 nan 8.150 nan 0.000 0.414 128 M N 0.892 120.549 119.600 0.094 0.000 2.333 128 M HA 0.363 4.830 4.480 -0.021 0.000 0.286 128 M C -2.451 174.156 176.300 0.512 0.000 1.113 128 M CA -0.465 55.004 55.300 0.282 0.000 0.959 128 M CB 1.699 34.383 32.600 0.140 0.000 1.776 128 M HN 0.911 nan 8.290 nan 0.000 0.492 129 Y N 3.299 123.868 120.300 0.449 0.000 2.350 129 Y HA 0.591 5.128 4.550 -0.021 0.000 0.340 129 Y C 0.661 176.596 175.900 0.060 0.000 1.006 129 Y CA 0.264 58.497 58.100 0.222 0.000 1.166 129 Y CB 1.670 40.203 38.460 0.122 0.000 1.168 129 Y HN 0.775 nan 8.280 nan 0.000 0.502 130 G N 4.241 112.861 108.800 -0.300 0.000 3.088 130 G HA2 0.065 4.013 3.960 -0.021 0.000 0.217 130 G HA3 0.065 4.013 3.960 -0.021 0.000 0.217 130 G C 0.432 175.050 174.900 -0.470 0.000 1.159 130 G CA 0.098 44.963 45.100 -0.391 0.000 0.760 130 G HN 0.674 nan 8.290 nan 0.000 0.550 131 Q N -1.132 117.999 119.800 -1.116 0.000 1.795 131 Q HA -0.309 4.018 4.340 -0.021 0.000 0.404 131 Q C 1.704 177.580 176.000 -0.207 0.000 0.847 131 Q CA 1.966 57.221 55.803 -0.912 0.000 0.799 131 Q CB -1.128 27.053 28.738 -0.928 0.000 3.822 131 Q HN 0.417 nan 8.270 nan 0.000 0.742 132 M N -1.394 118.116 119.600 -0.150 0.000 2.940 132 M HA 0.004 4.472 4.480 -0.021 0.000 0.248 132 M C 1.792 177.742 176.300 -0.583 0.000 1.379 132 M CA 1.557 56.608 55.300 -0.415 0.000 1.262 132 M CB 0.231 32.581 32.600 -0.418 0.000 1.201 132 M HN 0.707 nan 8.290 nan 0.000 0.553 133 T N -2.058 112.470 114.554 -0.044 0.000 3.054 133 T HA 0.436 4.774 4.350 -0.021 0.000 0.255 133 T C 1.401 176.281 174.700 0.299 0.000 1.035 133 T CA 0.331 62.507 62.100 0.126 0.000 0.941 133 T CB 0.146 69.151 68.868 0.229 0.000 1.026 133 T HN 0.191 nan 8.240 nan 0.000 0.533 134 A N 2.050 125.023 122.820 0.255 0.000 1.840 134 A HA 0.387 4.695 4.320 -0.021 0.000 0.214 134 A C 2.471 180.180 177.584 0.208 0.000 1.198 134 A CA 1.254 53.387 52.037 0.159 0.000 0.608 134 A CB -1.362 17.543 19.000 -0.158 0.000 0.839 134 A HN 0.575 nan 8.150 nan 0.000 0.443 135 G N -0.716 108.167 108.800 0.139 0.000 2.920 135 G HA2 0.146 4.094 3.960 -0.021 0.000 0.208 135 G HA3 0.146 4.094 3.960 -0.021 0.000 0.208 135 G C 1.257 176.097 174.900 -0.099 0.000 1.159 135 G CA 1.198 46.350 45.100 0.087 0.000 0.784 135 G HN 0.810 nan 8.290 nan 0.000 0.535 136 S N -1.500 114.231 115.700 0.052 0.000 2.539 136 S HA 0.133 4.591 4.470 -0.021 0.000 0.221 136 S C 0.353 175.064 174.600 0.185 0.000 0.987 136 S CA -0.472 57.697 58.200 -0.053 0.000 0.929 136 S CB -0.346 62.952 63.200 0.163 0.000 0.832 136 S HN 0.456 nan 8.310 nan 0.000 0.492 137 W N 0.565 122.079 121.300 0.357 0.000 6.190 137 W HA -0.163 4.483 4.660 -0.022 0.000 0.423 137 W C -0.083 176.723 176.519 0.479 0.000 1.680 137 W CA -0.278 57.279 57.345 0.353 0.000 1.036 137 W CB -2.552 27.023 29.460 0.191 0.000 2.908 137 W HN 0.491 nan 8.180 nan 0.000 1.429 138 I N -0.256 120.636 120.570 0.537 0.000 3.439 138 I HA 0.198 4.356 4.170 -0.021 0.000 0.321 138 I C -0.514 175.774 176.117 0.284 0.000 1.435 138 I CA -1.227 60.302 61.300 0.381 0.000 0.914 138 I CB -0.278 37.882 38.000 0.266 0.000 1.807 138 I HN -0.002 nan 8.210 nan 0.000 0.681 139 Y N 3.038 123.450 120.300 0.186 0.000 2.316 139 Y HA 0.537 5.075 4.550 -0.021 0.000 0.331 139 Y C 0.947 176.891 175.900 0.074 0.000 1.083 139 Y CA -0.290 57.864 58.100 0.088 0.000 1.206 139 Y CB 0.940 39.478 38.460 0.129 0.000 1.195 139 Y HN 0.272 nan 8.280 nan 0.000 0.497 140 I N 3.704 124.015 120.570 -0.432 0.000 3.424 140 I HA 0.670 4.828 4.170 -0.021 0.000 0.339 140 I C 0.597 176.450 176.117 -0.440 0.000 1.549 140 I CA -0.049 61.080 61.300 -0.285 0.000 1.049 140 I CB -0.141 37.766 38.000 -0.155 0.000 1.439 140 I HN 0.849 nan 8.210 nan 0.000 0.500 141 G N 1.612 109.857 108.800 -0.925 0.000 2.593 141 G HA2 -0.281 3.666 3.960 -0.021 0.000 0.237 141 G HA3 -0.281 3.666 3.960 -0.021 0.000 0.237 141 G C 0.385 174.900 174.900 -0.642 0.000 1.312 141 G CA 0.053 44.782 45.100 -0.617 0.000 0.896 141 G HN 0.272 nan 8.290 nan 0.000 0.574 142 S N -0.179 115.243 115.700 -0.463 0.000 2.442 142 S HA -0.119 4.338 4.470 -0.021 0.000 0.236 142 S C 2.133 176.591 174.600 -0.235 0.000 1.007 142 S CA 1.854 59.745 58.200 -0.514 0.000 0.965 142 S CB -0.156 62.343 63.200 -1.168 0.000 0.773 142 S HN 0.670 nan 8.310 nan 0.000 0.504 143 Q N 0.883 120.644 119.800 -0.064 0.000 2.291 143 Q HA -0.099 4.229 4.340 -0.021 0.000 0.206 143 Q C 2.137 178.158 176.000 0.035 0.000 0.976 143 Q CA 1.270 57.136 55.803 0.105 0.000 0.875 143 Q CB -0.452 28.357 28.738 0.118 0.000 0.927 143 Q HN 0.598 nan 8.270 nan 0.000 0.450 144 G N 1.126 109.852 108.800 -0.123 0.000 2.440 144 G HA2 -0.260 3.687 3.960 -0.021 0.000 0.218 144 G HA3 -0.260 3.687 3.960 -0.021 0.000 0.218 144 G C 1.311 176.229 174.900 0.031 0.000 1.154 144 G CA 0.860 45.901 45.100 -0.098 0.000 0.767 144 G HN 0.479 nan 8.290 nan 0.000 0.552 145 I N -0.570 120.012 120.570 0.021 0.000 3.708 145 I HA 0.160 4.317 4.170 -0.021 0.000 0.302 145 I C 2.416 178.620 176.117 0.144 0.000 1.255 145 I CA 0.043 61.406 61.300 0.105 0.000 1.362 145 I CB 0.302 38.330 38.000 0.046 0.000 1.100 145 I HN 0.046 nan 8.210 nan 0.000 0.434 146 V N 1.238 121.247 119.914 0.159 0.000 2.278 146 V HA -0.396 3.711 4.120 -0.021 0.000 0.251 146 V C 2.312 178.504 176.094 0.162 0.000 1.062 146 V CA 2.864 65.301 62.300 0.229 0.000 1.038 146 V CB -0.404 31.647 31.823 0.380 0.000 0.646 146 V HN 0.652 nan 8.190 nan 0.000 0.447 147 Q N -0.727 119.092 119.800 0.032 0.000 2.124 147 Q HA -0.105 4.222 4.340 -0.021 0.000 0.202 147 Q C 2.108 177.737 176.000 -0.618 0.000 0.977 147 Q CA 1.882 57.325 55.803 -0.601 0.000 0.850 147 Q CB -0.541 27.538 28.738 -1.099 0.000 0.901 147 Q HN 0.724 nan 8.270 nan 0.000 0.429 148 G N -0.504 108.087 108.800 -0.348 0.000 2.402 148 G HA2 -0.215 3.733 3.960 -0.021 0.000 0.216 148 G HA3 -0.215 3.733 3.960 -0.021 0.000 0.216 148 G C 1.330 176.071 174.900 -0.265 0.000 1.162 148 G CA 1.203 46.070 45.100 -0.387 0.000 0.777 148 G HN 0.373 nan 8.290 nan 0.000 0.539 149 T N -0.181 114.296 114.554 -0.129 0.000 2.821 149 T HA -0.119 4.218 4.350 -0.021 0.000 0.267 149 T C 1.934 176.343 174.700 -0.484 0.000 1.046 149 T CA 1.177 63.062 62.100 -0.360 0.000 1.139 149 T CB -0.282 68.456 68.868 -0.216 0.000 0.871 149 T HN 0.393 nan 8.240 nan 0.000 0.454 150 Y N 2.462 122.587 120.300 -0.291 0.000 2.114 150 Y HA -0.138 4.401 4.550 -0.019 0.000 0.284 150 Y C 2.367 178.133 175.900 -0.222 0.000 1.143 150 Y CA 1.374 59.401 58.100 -0.122 0.000 1.135 150 Y CB -0.254 38.175 38.460 -0.053 0.000 0.980 150 Y HN 0.028 nan 8.280 nan 0.000 0.499 151 E N -0.237 119.671 120.200 -0.487 0.000 2.118 151 E HA -0.166 4.171 4.350 -0.021 0.000 0.195 151 E C 2.175 178.491 176.600 -0.473 0.000 0.992 151 E CA 1.760 57.817 56.400 -0.572 0.000 0.804 151 E CB -0.650 28.627 29.700 -0.704 0.000 0.741 151 E HN 0.540 nan 8.360 nan 0.000 0.458 152 T N 1.148 115.420 114.554 -0.469 0.000 2.708 152 T HA -0.113 4.225 4.350 -0.021 0.000 0.266 152 T C 1.629 176.016 174.700 -0.521 0.000 1.037 152 T CA 1.036 62.856 62.100 -0.467 0.000 1.146 152 T CB -0.288 68.260 68.868 -0.534 0.000 0.865 152 T HN 0.045 nan 8.240 nan 0.000 0.435 153 F N 1.158 120.869 119.950 -0.397 0.000 2.113 153 F HA -0.029 4.483 4.527 -0.024 0.000 0.297 153 F C 2.551 178.145 175.800 -0.344 0.000 1.103 153 F CA -0.216 57.585 58.000 -0.331 0.000 1.248 153 F CB -1.452 37.426 39.000 -0.203 0.000 0.999 153 F HN -0.041 nan 8.300 nan 0.000 0.475 154 V N 0.060 119.832 119.914 -0.237 0.000 2.287 154 V HA -0.303 3.805 4.120 -0.021 0.000 0.248 154 V C 2.452 178.416 176.094 -0.218 0.000 1.053 154 V CA 2.275 64.410 62.300 -0.274 0.000 1.027 154 V CB -0.636 30.913 31.823 -0.456 0.000 0.646 154 V HN 0.218 nan 8.190 nan 0.000 0.447 155 E N 0.678 120.715 120.200 -0.271 0.000 2.077 155 E HA -0.163 4.175 4.350 -0.021 0.000 0.193 155 E C 2.112 178.558 176.600 -0.256 0.000 0.989 155 E CA 1.657 57.923 56.400 -0.222 0.000 0.800 155 E CB -0.549 29.044 29.700 -0.178 0.000 0.746 155 E HN 0.512 nan 8.360 nan 0.000 0.452 156 A N 0.062 122.581 122.820 -0.501 0.000 1.972 156 A HA -0.032 4.276 4.320 -0.021 0.000 0.219 156 A C 2.428 179.957 177.584 -0.092 0.000 1.169 156 A CA 1.728 53.446 52.037 -0.532 0.000 0.635 156 A CB -1.194 17.372 19.000 -0.722 0.000 0.810 156 A HN 0.406 nan 8.150 nan 0.000 0.446 157 G N -0.586 108.190 108.800 -0.040 0.000 2.402 157 G HA2 -0.184 3.763 3.960 -0.021 0.000 0.216 157 G HA3 -0.184 3.763 3.960 -0.021 0.000 0.216 157 G C 1.758 176.676 174.900 0.030 0.000 1.162 157 G CA 0.765 45.923 45.100 0.097 0.000 0.777 157 G HN 0.564 nan 8.290 nan 0.000 0.539 158 R N -0.173 120.295 120.500 -0.054 0.000 2.092 158 R HA -0.002 4.326 4.340 -0.021 0.000 0.231 158 R C 2.740 178.977 176.300 -0.105 0.000 1.119 158 R CA 1.270 57.331 56.100 -0.065 0.000 0.970 158 R CB -0.231 30.018 30.300 -0.084 0.000 0.864 158 R HN 0.414 nan 8.270 nan 0.000 0.440 159 Q N -0.878 118.813 119.800 -0.182 0.000 2.083 159 Q HA -0.090 4.238 4.340 -0.021 0.000 0.198 159 Q C 1.620 177.357 176.000 -0.437 0.000 0.969 159 Q CA 1.028 56.636 55.803 -0.324 0.000 0.838 159 Q CB 0.254 28.731 28.738 -0.435 0.000 0.900 159 Q HN 0.543 nan 8.270 nan 0.000 0.436 160 H N -2.353 116.617 119.070 -0.167 0.000 2.604 160 H HA 0.069 4.612 4.556 -0.021 0.000 0.273 160 H C 0.304 175.269 175.328 -0.605 0.000 0.971 160 H CA 0.683 56.475 56.048 -0.426 0.000 1.249 160 H CB 0.577 29.949 29.762 -0.651 0.000 1.449 160 H HN 0.216 nan 8.280 nan 0.000 0.512 161 Y N 0.024 120.372 120.300 0.080 0.000 2.716 161 Y HA 0.384 4.922 4.550 -0.019 0.000 0.260 161 Y C 1.545 177.452 175.900 0.012 0.000 1.141 161 Y CA 0.039 58.163 58.100 0.040 0.000 1.168 161 Y CB 0.818 39.292 38.460 0.024 0.000 1.189 161 Y HN 0.299 nan 8.280 nan 0.000 0.549 162 G N -0.321 108.528 108.800 0.082 0.000 2.245 162 G HA2 -0.169 3.778 3.960 -0.021 0.000 0.264 162 G HA3 -0.169 3.778 3.960 -0.021 0.000 0.264 162 G C 1.118 176.043 174.900 0.041 0.000 0.985 162 G CA 0.542 45.673 45.100 0.052 0.000 0.625 162 G HN 1.157 nan 8.290 nan 0.000 0.536 163 G N -1.491 107.342 108.800 0.055 0.000 3.736 163 G HA2 0.071 4.019 3.960 -0.021 0.000 0.196 163 G HA3 0.071 4.019 3.960 -0.021 0.000 0.196 163 G C 1.142 176.061 174.900 0.030 0.000 1.811 163 G CA 1.346 46.462 45.100 0.027 0.000 1.175 163 G HN 1.543 nan 8.290 nan 0.000 0.429 164 S N 0.262 115.985 115.700 0.038 0.000 2.503 164 S HA 0.387 4.845 4.470 -0.021 0.000 0.217 164 S C 1.713 176.320 174.600 0.012 0.000 0.999 164 S CA 1.155 59.372 58.200 0.028 0.000 0.914 164 S CB -0.336 62.881 63.200 0.029 0.000 0.782 164 S HN 1.149 nan 8.310 nan 0.000 0.520 165 L N -0.563 120.663 121.223 0.005 0.000 4.884 165 L HA -0.204 4.124 4.340 -0.021 0.000 0.430 165 L C 0.276 177.101 176.870 -0.075 0.000 1.087 165 L CA 0.323 55.124 54.840 -0.064 0.000 1.033 165 L CB -1.674 40.341 42.059 -0.073 0.000 2.030 165 L HN 0.235 nan 8.230 nan 0.000 0.762 166 K N 1.520 121.899 120.400 -0.035 0.000 2.472 166 K HA 0.295 4.603 4.320 -0.021 0.000 0.280 166 K C 1.310 177.887 176.600 -0.039 0.000 1.028 166 K CA 1.346 57.617 56.287 -0.027 0.000 1.045 166 K CB 0.379 32.874 32.500 -0.008 0.000 0.902 166 K HN 0.337 nan 8.250 nan 0.000 0.478 167 G N 2.744 111.527 108.800 -0.027 0.000 2.148 167 G HA2 -0.229 3.718 3.960 -0.021 0.000 0.254 167 G HA3 -0.229 3.718 3.960 -0.021 0.000 0.254 167 G C -0.265 174.622 174.900 -0.022 0.000 0.981 167 G CA 0.291 45.380 45.100 -0.017 0.000 0.670 167 G HN 0.498 nan 8.290 nan 0.000 0.528 168 K N -0.273 120.086 120.400 -0.068 0.000 2.238 168 K HA 0.743 5.051 4.320 -0.021 0.000 0.239 168 K C 0.113 176.732 176.600 0.031 0.000 0.987 168 K CA -0.606 55.611 56.287 -0.118 0.000 0.857 168 K CB 1.692 33.945 32.500 -0.412 0.000 1.154 168 K HN 0.574 nan 8.250 nan 0.000 0.439 169 W N -0.436 120.719 121.300 -0.242 0.000 3.127 169 W HA 0.542 5.188 4.660 -0.023 0.000 0.330 169 W C -1.367 175.006 176.519 -0.244 0.000 1.187 169 W CA -1.014 56.204 57.345 -0.212 0.000 1.198 169 W CB -0.010 29.360 29.460 -0.149 0.000 1.408 169 W HN 0.037 nan 8.180 nan 0.000 0.529 170 V N 4.061 123.874 119.914 -0.167 0.000 2.532 170 V HA 0.425 4.533 4.120 -0.021 0.000 0.295 170 V C -0.454 175.515 176.094 -0.210 0.000 1.041 170 V CA -0.782 61.307 62.300 -0.351 0.000 0.926 170 V CB 1.464 33.005 31.823 -0.471 0.000 0.992 170 V HN 0.437 nan 8.190 nan 0.000 0.457 171 L N 4.366 125.370 121.223 -0.366 0.000 2.333 171 L HA 0.876 5.203 4.340 -0.021 0.000 0.280 171 L C -0.299 176.473 176.870 -0.162 0.000 1.004 171 L CA 0.811 55.520 54.840 -0.218 0.000 0.820 171 L CB 1.687 43.486 42.059 -0.433 0.000 1.247 171 L HN 0.856 nan 8.230 nan 0.000 0.416 172 T N 3.026 117.559 114.554 -0.036 0.000 2.665 172 T HA 0.930 5.268 4.350 -0.021 0.000 0.303 172 T C -1.830 172.908 174.700 0.065 0.000 1.334 172 T CA 0.087 62.192 62.100 0.007 0.000 1.011 172 T CB 1.278 70.159 68.868 0.022 0.000 1.573 172 T HN 1.050 nan 8.240 nan 0.000 0.492 173 A N -0.530 122.353 122.820 0.106 0.000 2.594 173 A HA 0.868 5.176 4.320 -0.021 0.000 0.291 173 A C 0.077 177.737 177.584 0.127 0.000 1.105 173 A CA -0.041 52.060 52.037 0.107 0.000 0.694 173 A CB 1.075 20.142 19.000 0.110 0.000 1.291 173 A HN 2.260 nan 8.150 nan 0.000 0.410 174 G N -0.396 108.463 108.800 0.099 0.000 3.251 174 G HA2 0.115 4.063 3.960 -0.021 0.000 0.680 174 G HA3 0.115 4.063 3.960 -0.021 0.000 0.680 174 G C -0.660 174.292 174.900 0.087 0.000 1.129 174 G CA -0.183 44.980 45.100 0.105 0.000 0.994 174 G HN 1.243 nan 8.290 nan 0.000 0.450 175 L N 2.751 124.008 121.223 0.057 0.000 3.047 175 L HA 0.453 4.781 4.340 -0.021 0.000 0.242 175 L C 1.516 178.391 176.870 0.009 0.000 1.315 175 L CA 0.056 54.919 54.840 0.039 0.000 1.042 175 L CB 0.167 42.253 42.059 0.045 0.000 1.420 175 L HN 0.699 nan 8.230 nan 0.000 0.517 176 G N -0.642 108.174 108.800 0.027 0.000 2.531 176 G HA2 0.346 4.294 3.960 -0.021 0.000 0.253 176 G HA3 0.346 4.294 3.960 -0.021 0.000 0.253 176 G C 1.024 175.901 174.900 -0.038 0.000 1.439 176 G CA 0.303 45.418 45.100 0.024 0.000 1.056 176 G HN 0.300 nan 8.290 nan 0.000 0.555 177 G N -0.618 108.193 108.800 0.017 0.000 2.459 177 G HA2 -0.172 3.775 3.960 -0.021 0.000 0.217 177 G HA3 -0.172 3.775 3.960 -0.021 0.000 0.217 177 G C 1.660 176.528 174.900 -0.053 0.000 1.183 177 G CA 1.249 46.342 45.100 -0.012 0.000 0.776 177 G HN 0.328 nan 8.290 nan 0.000 0.552 178 M N 0.584 120.205 119.600 0.035 0.000 2.357 178 M HA 0.136 4.604 4.480 -0.021 0.000 0.266 178 M C 2.873 179.195 176.300 0.037 0.000 1.095 178 M CA 1.128 56.430 55.300 0.003 0.000 1.156 178 M CB -1.090 31.534 32.600 0.040 0.000 1.365 178 M HN 0.283 nan 8.290 nan 0.000 0.447 179 G N 0.393 109.239 108.800 0.078 0.000 2.448 179 G HA2 -0.115 3.832 3.960 -0.021 0.000 0.219 179 G HA3 -0.115 3.832 3.960 -0.021 0.000 0.219 179 G C 1.513 176.450 174.900 0.062 0.000 1.127 179 G CA 0.939 46.102 45.100 0.106 0.000 0.766 179 G HN 0.554 nan 8.290 nan 0.000 0.552 180 G N 0.746 109.532 108.800 -0.024 0.000 2.498 180 G HA2 0.097 4.044 3.960 -0.021 0.000 0.219 180 G HA3 0.097 4.044 3.960 -0.021 0.000 0.219 180 G C 1.766 176.641 174.900 -0.042 0.000 1.119 180 G CA 1.233 46.290 45.100 -0.071 0.000 0.766 180 G HN 0.609 nan 8.290 nan 0.000 0.552 181 A N -0.016 122.783 122.820 -0.036 0.000 2.119 181 A HA 0.117 4.424 4.320 -0.021 0.000 0.216 181 A C 2.215 179.943 177.584 0.240 0.000 1.152 181 A CA 1.254 53.369 52.037 0.131 0.000 0.708 181 A CB -0.172 18.879 19.000 0.085 0.000 0.805 181 A HN 0.439 nan 8.150 nan 0.000 0.460 182 Q N 0.131 120.049 119.800 0.197 0.000 2.002 182 Q HA -0.159 4.169 4.340 -0.021 0.000 0.204 182 Q C -0.471 175.701 176.000 0.286 0.000 0.988 182 Q CA 2.008 57.973 55.803 0.269 0.000 0.843 182 Q CB -1.138 27.735 28.738 0.226 0.000 0.908 182 Q HN 0.534 nan 8.270 nan 0.000 0.420 183 P HA -0.213 nan 4.420 nan 0.000 0.215 183 P C 1.512 178.898 177.300 0.142 0.000 1.157 183 P CA 1.198 64.383 63.100 0.142 0.000 0.874 183 P CB -0.080 31.693 31.700 0.120 0.000 0.790 184 L N -0.082 121.254 121.223 0.188 0.000 2.046 184 L HA -0.041 4.287 4.340 -0.021 0.000 0.208 184 L C 2.554 179.529 176.870 0.174 0.000 1.077 184 L CA 2.038 56.947 54.840 0.116 0.000 0.747 184 L CB -1.630 40.455 42.059 0.044 0.000 0.896 184 L HN -0.084 nan 8.230 nan 0.000 0.432 185 A N -0.285 122.713 122.820 0.296 0.000 1.883 185 A HA -0.166 4.141 4.320 -0.021 0.000 0.217 185 A C 2.482 180.343 177.584 0.462 0.000 1.186 185 A CA 2.108 54.401 52.037 0.426 0.000 0.624 185 A CB -1.292 17.961 19.000 0.421 0.000 0.822 185 A HN 0.598 nan 8.150 nan 0.000 0.444 186 A N -1.068 121.939 122.820 0.311 0.000 1.865 186 A HA -0.150 4.158 4.320 -0.021 0.000 0.217 186 A C 2.335 179.937 177.584 0.030 0.000 1.191 186 A CA 2.535 54.545 52.037 -0.046 0.000 0.623 186 A CB -1.523 17.335 19.000 -0.237 0.000 0.826 186 A HN 0.438 nan 8.150 nan 0.000 0.444 187 T N 0.631 115.214 114.554 0.048 0.000 2.635 187 T HA -0.158 4.180 4.350 -0.021 0.000 0.267 187 T C 1.757 176.495 174.700 0.063 0.000 1.040 187 T CA 1.680 63.792 62.100 0.021 0.000 1.156 187 T CB -0.485 68.375 68.868 -0.013 0.000 0.863 187 T HN 0.377 nan 8.240 nan 0.000 0.430 188 L N 0.515 121.814 121.223 0.127 0.000 2.265 188 L HA -0.022 4.306 4.340 -0.021 0.000 0.215 188 L C 2.725 179.829 176.870 0.390 0.000 1.117 188 L CA 0.894 55.832 54.840 0.163 0.000 0.782 188 L CB -0.538 41.559 42.059 0.063 0.000 0.914 188 L HN 0.241 nan 8.230 nan 0.000 0.441 189 A N -0.613 122.434 122.820 0.379 0.000 2.218 189 A HA 0.314 4.622 4.320 -0.021 0.000 0.209 189 A C 1.749 179.391 177.584 0.096 0.000 1.168 189 A CA 0.773 52.952 52.037 0.237 0.000 0.804 189 A CB -0.163 18.909 19.000 0.120 0.000 0.834 189 A HN 0.497 nan 8.150 nan 0.000 0.482 190 G N -2.431 106.411 108.800 0.070 0.000 2.159 190 G HA2 0.169 4.117 3.960 -0.021 0.000 0.227 190 G HA3 0.169 4.117 3.960 -0.021 0.000 0.227 190 G C 0.267 175.152 174.900 -0.025 0.000 0.986 190 G CA 0.236 45.346 45.100 0.017 0.000 0.651 190 G HN 1.564 nan 8.290 nan 0.000 0.523 191 A N -1.143 121.644 122.820 -0.054 0.000 2.330 191 A HA 0.818 5.125 4.320 -0.021 0.000 0.329 191 A C 0.623 178.175 177.584 -0.053 0.000 1.135 191 A CA 0.126 52.114 52.037 -0.082 0.000 0.817 191 A CB 1.285 20.178 19.000 -0.177 0.000 1.269 191 A HN 0.934 nan 8.150 nan 0.000 0.469 192 C N 0.711 120.013 119.300 0.004 0.000 2.403 192 C HA 0.861 5.309 4.460 -0.021 0.000 0.361 192 C C 0.765 175.796 174.990 0.069 0.000 1.274 192 C CA 0.259 59.301 59.018 0.040 0.000 2.433 192 C CB 0.805 28.593 27.740 0.081 0.000 2.323 192 C HN 1.113 nan 8.230 nan 0.000 0.614 193 S N 0.553 116.301 115.700 0.080 0.000 2.543 193 S HA 0.621 5.078 4.470 -0.021 0.000 0.274 193 S C -1.517 173.155 174.600 0.121 0.000 1.149 193 S CA -0.643 57.623 58.200 0.110 0.000 0.866 193 S CB 1.120 64.320 63.200 0.000 0.000 1.111 193 S HN 0.612 nan 8.310 nan 0.000 0.457 194 L N 2.457 123.793 121.223 0.188 0.000 2.298 194 L HA 0.589 4.917 4.340 -0.021 0.000 0.284 194 L C -1.175 175.760 176.870 0.109 0.000 1.013 194 L CA -0.393 54.529 54.840 0.136 0.000 0.824 194 L CB 0.873 43.046 42.059 0.191 0.000 1.221 194 L HN 0.831 nan 8.230 nan 0.000 0.418 195 N N 6.863 125.611 118.700 0.080 0.000 2.518 195 N HA 0.295 5.022 4.740 -0.021 0.000 0.254 195 N C -0.927 174.621 175.510 0.064 0.000 0.979 195 N CA -0.534 52.559 53.050 0.073 0.000 0.930 195 N CB 2.356 40.889 38.487 0.078 0.000 1.152 195 N HN 0.512 nan 8.380 nan 0.000 0.505 196 I N 1.617 122.219 120.570 0.053 0.000 2.395 196 I HA 0.341 4.499 4.170 -0.021 0.000 0.289 196 I C -0.448 175.684 176.117 0.026 0.000 1.023 196 I CA -0.042 61.277 61.300 0.032 0.000 1.350 196 I CB 1.121 39.126 38.000 0.008 0.000 1.409 196 I HN 0.502 nan 8.210 nan 0.000 0.507 197 E N 4.229 124.443 120.200 0.025 0.000 2.290 197 E HA 0.300 4.638 4.350 -0.021 0.000 0.274 197 E C 0.016 176.613 176.600 -0.004 0.000 0.889 197 E CA -0.450 55.961 56.400 0.019 0.000 0.760 197 E CB 1.752 31.481 29.700 0.048 0.000 1.206 197 E HN 0.575 nan 8.360 nan 0.000 0.419 198 S N 3.257 118.921 115.700 -0.061 0.000 2.489 198 S HA 0.038 4.495 4.470 -0.021 0.000 0.228 198 S C 0.408 174.987 174.600 -0.035 0.000 0.995 198 S CA 0.199 58.324 58.200 -0.124 0.000 0.934 198 S CB -0.084 63.105 63.200 -0.018 0.000 0.771 198 S HN 0.524 nan 8.310 nan 0.000 0.522 199 Q N 0.907 120.679 119.800 -0.048 0.000 2.347 199 Q HA 0.346 4.673 4.340 -0.021 0.000 0.262 199 Q C 0.395 176.430 176.000 0.058 0.000 0.980 199 Q CA -0.539 55.227 55.803 -0.062 0.000 0.867 199 Q CB 1.639 30.119 28.738 -0.430 0.000 1.242 199 Q HN 0.238 nan 8.270 nan 0.000 0.453 200 Q N 1.528 121.351 119.800 0.038 0.000 2.135 200 Q HA -0.201 4.127 4.340 -0.021 0.000 0.204 200 Q C 1.813 177.778 176.000 -0.058 0.000 0.981 200 Q CA 2.433 58.148 55.803 -0.148 0.000 0.856 200 Q CB -0.005 28.535 28.738 -0.330 0.000 0.902 200 Q HN 0.737 nan 8.270 nan 0.000 0.425 201 S N -0.617 115.056 115.700 -0.045 0.000 2.399 201 S HA -0.140 4.317 4.470 -0.021 0.000 0.231 201 S C 1.793 176.425 174.600 0.052 0.000 1.022 201 S CA 0.736 58.929 58.200 -0.011 0.000 0.983 201 S CB -0.229 62.959 63.200 -0.021 0.000 0.803 201 S HN 0.301 nan 8.310 nan 0.000 0.480 202 R N 1.229 121.750 120.500 0.035 0.000 2.090 202 R HA 0.272 4.600 4.340 -0.021 0.000 0.228 202 R C 2.316 178.682 176.300 0.109 0.000 1.110 202 R CA 1.097 57.253 56.100 0.092 0.000 0.973 202 R CB -1.146 29.155 30.300 0.003 0.000 0.869 202 R HN 0.521 nan 8.270 nan 0.000 0.440 203 I N 1.346 121.956 120.570 0.068 0.000 2.286 203 I HA -0.256 3.902 4.170 -0.021 0.000 0.248 203 I C 1.385 177.555 176.117 0.087 0.000 1.115 203 I CA 1.329 62.671 61.300 0.070 0.000 1.392 203 I CB -0.327 37.701 38.000 0.047 0.000 1.065 203 I HN 0.044 nan 8.210 nan 0.000 0.418 204 D N 0.457 120.904 120.400 0.079 0.000 2.183 204 D HA -0.162 4.466 4.640 -0.021 0.000 0.203 204 D C 1.943 178.344 176.300 0.168 0.000 0.969 204 D CA 1.049 55.098 54.000 0.081 0.000 0.842 204 D CB -0.229 40.588 40.800 0.029 0.000 0.957 204 D HN 0.186 nan 8.370 nan 0.000 0.484 205 F N 2.041 122.004 119.950 0.022 0.000 2.102 205 F HA -0.101 4.403 4.527 -0.038 0.000 0.298 205 F C 2.170 178.007 175.800 0.062 0.000 1.105 205 F CA 1.060 59.083 58.000 0.039 0.000 1.239 205 F CB -0.227 38.793 39.000 0.033 0.000 0.991 205 F HN -0.223 nan 8.300 nan 0.000 0.474 206 R N 0.154 120.805 120.500 0.253 0.000 2.096 206 R HA -0.095 4.232 4.340 -0.021 0.000 0.235 206 R C 2.354 178.775 176.300 0.202 0.000 1.127 206 R CA 1.153 57.356 56.100 0.172 0.000 0.968 206 R CB -0.975 29.392 30.300 0.111 0.000 0.861 206 R HN 0.327 nan 8.270 nan 0.000 0.440 207 L N 0.154 121.472 121.223 0.159 0.000 2.027 207 L HA -0.171 4.157 4.340 -0.021 0.000 0.206 207 L C 1.988 178.927 176.870 0.115 0.000 1.074 207 L CA 1.556 56.462 54.840 0.110 0.000 0.745 207 L CB -0.360 41.744 42.059 0.075 0.000 0.898 207 L HN 0.239 nan 8.230 nan 0.000 0.433 208 E N -0.592 119.695 120.200 0.146 0.000 2.153 208 E HA -0.184 4.154 4.350 -0.021 0.000 0.194 208 E C 1.810 178.509 176.600 0.164 0.000 0.988 208 E CA 1.698 58.175 56.400 0.129 0.000 0.811 208 E CB -0.131 29.636 29.700 0.112 0.000 0.746 208 E HN 0.556 nan 8.360 nan 0.000 0.466 209 T N -1.920 112.788 114.554 0.258 0.000 3.129 209 T HA 0.170 4.507 4.350 -0.021 0.000 0.251 209 T C 0.590 175.406 174.700 0.193 0.000 1.117 209 T CA -0.205 62.069 62.100 0.291 0.000 1.034 209 T CB -0.009 69.116 68.868 0.429 0.000 0.968 209 T HN 0.096 nan 8.240 nan 0.000 0.526 210 R N -1.218 119.346 120.500 0.106 0.000 3.878 210 R HA -0.193 4.135 4.340 -0.021 0.000 0.330 210 R C -0.166 176.065 176.300 -0.115 0.000 1.186 210 R CA 0.901 56.983 56.100 -0.030 0.000 0.885 210 R CB -2.755 27.473 30.300 -0.120 0.000 1.377 210 R HN 0.494 nan 8.270 nan 0.000 0.523 211 Y N -1.065 119.237 120.300 0.003 0.000 2.510 211 Y HA 0.258 4.797 4.550 -0.019 0.000 0.273 211 Y C 1.154 177.059 175.900 0.009 0.000 1.119 211 Y CA 0.754 58.855 58.100 0.001 0.000 1.286 211 Y CB 1.063 39.522 38.460 -0.003 0.000 1.061 211 Y HN 0.074 nan 8.280 nan 0.000 0.542 212 V N -0.239 119.751 119.914 0.128 0.000 2.789 212 V HA 0.229 4.336 4.120 -0.021 0.000 0.311 212 V C -0.304 175.808 176.094 0.030 0.000 1.073 212 V CA -0.640 61.706 62.300 0.077 0.000 0.921 212 V CB 1.934 33.811 31.823 0.089 0.000 1.009 212 V HN 0.051 nan 8.190 nan 0.000 0.426 213 D N 3.087 123.486 120.400 -0.001 0.000 2.144 213 D HA 0.084 4.712 4.640 -0.021 0.000 0.207 213 D C 0.344 176.634 176.300 -0.017 0.000 0.970 213 D CA 1.060 55.041 54.000 -0.032 0.000 0.853 213 D CB 0.554 41.306 40.800 -0.081 0.000 1.007 213 D HN 0.870 nan 8.370 nan 0.000 0.469 214 E N -0.439 119.761 120.200 0.000 0.000 2.458 214 E HA 0.453 4.790 4.350 -0.021 0.000 0.278 214 E C -1.061 175.559 176.600 0.033 0.000 1.004 214 E CA -0.902 55.508 56.400 0.016 0.000 0.823 214 E CB 1.800 31.513 29.700 0.022 0.000 1.396 214 E HN -0.208 nan 8.360 nan 0.000 0.463 215 Q N 0.844 120.662 119.800 0.031 0.000 2.325 215 Q HA 0.576 4.903 4.340 -0.021 0.000 0.270 215 Q C -1.093 174.924 176.000 0.029 0.000 1.020 215 Q CA -0.612 55.210 55.803 0.033 0.000 0.785 215 Q CB 1.792 30.544 28.738 0.024 0.000 1.259 215 Q HN 0.693 nan 8.270 nan 0.000 0.452 216 A N 1.899 124.737 122.820 0.029 0.000 2.366 216 A HA 0.234 4.542 4.320 -0.021 0.000 0.250 216 A C 0.938 178.532 177.584 0.017 0.000 1.099 216 A CA 0.394 52.440 52.037 0.015 0.000 0.794 216 A CB 0.301 19.301 19.000 0.000 0.000 1.056 216 A HN 0.906 nan 8.150 nan 0.000 0.499 217 T N -2.790 111.769 114.554 0.008 0.000 3.060 217 T HA 0.393 4.730 4.350 -0.021 0.000 0.249 217 T C -0.128 174.583 174.700 0.019 0.000 1.079 217 T CA 0.727 62.835 62.100 0.013 0.000 1.013 217 T CB -0.609 68.262 68.868 0.004 0.000 0.975 217 T HN 0.940 nan 8.240 nan 0.000 0.518 218 D N -1.297 119.110 120.400 0.010 0.000 2.804 218 D HA 0.190 4.817 4.640 -0.021 0.000 0.309 218 D C 0.419 176.717 176.300 -0.004 0.000 1.311 218 D CA -0.860 53.146 54.000 0.010 0.000 0.765 218 D CB 0.187 40.991 40.800 0.006 0.000 1.293 218 D HN -0.130 nan 8.370 nan 0.000 0.434 219 L N 0.597 121.819 121.223 -0.003 0.000 1.989 219 L HA -0.068 4.259 4.340 -0.021 0.000 0.211 219 L C 1.298 178.149 176.870 -0.031 0.000 1.071 219 L CA 2.211 57.045 54.840 -0.009 0.000 0.749 219 L CB -1.072 40.989 42.059 0.003 0.000 0.890 219 L HN 0.525 nan 8.230 nan 0.000 0.431 220 D N -0.751 119.631 120.400 -0.030 0.000 2.117 220 D HA -0.228 4.400 4.640 -0.021 0.000 0.197 220 D C 1.837 178.096 176.300 -0.068 0.000 0.987 220 D CA 1.614 55.587 54.000 -0.046 0.000 0.829 220 D CB -0.282 40.497 40.800 -0.035 0.000 0.961 220 D HN 0.514 nan 8.370 nan 0.000 0.460 221 D N 0.586 120.952 120.400 -0.056 0.000 2.144 221 D HA -0.096 4.532 4.640 -0.021 0.000 0.199 221 D C 1.952 178.195 176.300 -0.096 0.000 0.984 221 D CA 1.564 55.523 54.000 -0.068 0.000 0.834 221 D CB -0.020 40.755 40.800 -0.042 0.000 0.955 221 D HN 0.094 nan 8.370 nan 0.000 0.465 222 A N 0.161 122.931 122.820 -0.083 0.000 1.873 222 A HA -0.055 4.253 4.320 -0.021 0.000 0.215 222 A C 2.431 179.898 177.584 -0.194 0.000 1.186 222 A CA 1.103 53.077 52.037 -0.105 0.000 0.616 222 A CB -0.870 18.092 19.000 -0.064 0.000 0.823 222 A HN 0.365 nan 8.150 nan 0.000 0.442 223 L N -0.408 120.703 121.223 -0.186 0.000 2.131 223 L HA -0.141 4.187 4.340 -0.021 0.000 0.210 223 L C 2.428 179.136 176.870 -0.270 0.000 1.092 223 L CA 0.775 55.462 54.840 -0.255 0.000 0.759 223 L CB -0.489 41.476 42.059 -0.158 0.000 0.903 223 L HN 0.242 nan 8.230 nan 0.000 0.435 224 V N -0.185 119.599 119.914 -0.216 0.000 2.427 224 V HA -0.222 3.886 4.120 -0.021 0.000 0.248 224 V C 2.581 178.472 176.094 -0.340 0.000 1.051 224 V CA 1.586 63.749 62.300 -0.227 0.000 1.048 224 V CB -0.533 31.189 31.823 -0.169 0.000 0.666 224 V HN 0.424 nan 8.190 nan 0.000 0.456 225 R N -0.486 119.789 120.500 -0.376 0.000 2.073 225 R HA -0.040 4.287 4.340 -0.021 0.000 0.229 225 R C 2.249 178.138 176.300 -0.685 0.000 1.120 225 R CA 1.156 56.874 56.100 -0.637 0.000 0.967 225 R CB -0.302 29.788 30.300 -0.351 0.000 0.862 225 R HN 0.341 nan 8.270 nan 0.000 0.436 226 I N 1.115 121.405 120.570 -0.467 0.000 2.179 226 I HA -0.223 3.935 4.170 -0.021 0.000 0.242 226 I C 2.582 178.410 176.117 -0.480 0.000 1.088 226 I CA 1.417 62.405 61.300 -0.520 0.000 1.357 226 I CB -1.373 36.062 38.000 -0.942 0.000 1.051 226 I HN 0.139 nan 8.210 nan 0.000 0.409 227 A N 0.670 123.225 122.820 -0.441 0.000 1.908 227 A HA -0.275 4.033 4.320 -0.021 0.000 0.218 227 A C 2.487 179.921 177.584 -0.250 0.000 1.181 227 A CA 2.151 54.007 52.037 -0.302 0.000 0.627 227 A CB -0.615 18.243 19.000 -0.237 0.000 0.818 227 A HN 0.408 nan 8.150 nan 0.000 0.445 228 K N -1.589 118.609 120.400 -0.337 0.000 1.984 228 K HA -0.172 4.136 4.320 -0.021 0.000 0.209 228 K C 1.925 178.421 176.600 -0.173 0.000 1.046 228 K CA 1.757 57.865 56.287 -0.298 0.000 0.934 228 K CB -0.376 31.859 32.500 -0.442 0.000 0.717 228 K HN 0.483 nan 8.250 nan 0.000 0.438 229 Y N 0.784 121.018 120.300 -0.111 0.000 2.224 229 Y HA -0.161 4.384 4.550 -0.008 0.000 0.289 229 Y C 2.722 178.571 175.900 -0.086 0.000 1.146 229 Y CA 1.339 59.384 58.100 -0.092 0.000 1.182 229 Y CB -1.286 37.117 38.460 -0.096 0.000 0.983 229 Y HN 0.170 nan 8.280 nan 0.000 0.524 230 T N -0.165 114.402 114.554 0.022 0.000 2.708 230 T HA -0.166 4.172 4.350 -0.021 0.000 0.266 230 T C 2.231 176.928 174.700 -0.004 0.000 1.037 230 T CA 1.474 63.572 62.100 -0.004 0.000 1.146 230 T CB -0.467 68.365 68.868 -0.059 0.000 0.865 230 T HN 0.397 nan 8.240 nan 0.000 0.435 231 A N 0.866 123.670 122.820 -0.027 0.000 1.972 231 A HA -0.048 4.260 4.320 -0.021 0.000 0.219 231 A C 1.937 179.519 177.584 -0.004 0.000 1.169 231 A CA 1.639 53.664 52.037 -0.019 0.000 0.635 231 A CB -0.455 18.523 19.000 -0.037 0.000 0.810 231 A HN 0.714 nan 8.150 nan 0.000 0.446 232 E N -1.159 119.048 120.200 0.011 0.000 2.476 232 E HA 0.281 4.618 4.350 -0.021 0.000 0.191 232 E C 0.969 177.580 176.600 0.018 0.000 1.064 232 E CA 0.174 56.586 56.400 0.021 0.000 0.866 232 E CB -0.172 29.554 29.700 0.043 0.000 0.952 232 E HN 0.694 nan 8.360 nan 0.000 0.492 233 G N 1.983 110.792 108.800 0.015 0.000 2.225 233 G HA2 -0.308 3.639 3.960 -0.021 0.000 0.267 233 G HA3 -0.308 3.639 3.960 -0.021 0.000 0.267 233 G C 0.141 175.041 174.900 -0.000 0.000 1.024 233 G CA 0.497 45.600 45.100 0.005 0.000 0.784 233 G HN 0.062 nan 8.290 nan 0.000 0.507 234 K N -0.261 120.145 120.400 0.010 0.000 2.109 234 K HA 0.813 5.121 4.320 -0.021 0.000 0.243 234 K C 0.409 176.986 176.600 -0.037 0.000 1.006 234 K CA 0.210 56.481 56.287 -0.026 0.000 0.917 234 K CB 1.430 33.903 32.500 -0.044 0.000 1.081 234 K HN 0.761 nan 8.250 nan 0.000 0.468 235 A N 2.434 125.209 122.820 -0.075 0.000 2.893 235 A HA 0.431 4.739 4.320 -0.021 0.000 0.333 235 A C -0.990 176.531 177.584 -0.106 0.000 1.152 235 A CA -0.526 51.472 52.037 -0.065 0.000 0.782 235 A CB -0.397 18.577 19.000 -0.043 0.000 1.108 235 A HN 0.666 nan 8.150 nan 0.000 0.469 236 I N 1.382 121.868 120.570 -0.140 0.000 2.569 236 I HA 0.670 4.827 4.170 -0.021 0.000 0.296 236 I C -0.130 175.937 176.117 -0.084 0.000 1.028 236 I CA -0.499 60.690 61.300 -0.186 0.000 1.082 236 I CB 2.349 40.084 38.000 -0.440 0.000 1.264 236 I HN 0.431 nan 8.210 nan 0.000 0.429 237 S N 7.740 123.407 115.700 -0.054 0.000 2.508 237 S HA 0.648 5.106 4.470 -0.021 0.000 0.284 237 S C -0.541 174.070 174.600 0.018 0.000 1.192 237 S CA -0.785 57.417 58.200 0.002 0.000 1.070 237 S CB 1.411 64.624 63.200 0.022 0.000 1.004 237 S HN 0.465 nan 8.310 nan 0.000 0.493 238 I N 1.849 122.447 120.570 0.046 0.000 2.433 238 I HA 0.588 4.746 4.170 -0.021 0.000 0.292 238 I C 0.318 176.467 176.117 0.054 0.000 1.001 238 I CA -1.010 60.322 61.300 0.054 0.000 1.119 238 I CB 1.058 39.091 38.000 0.055 0.000 1.289 238 I HN 0.912 nan 8.210 nan 0.000 0.438 239 A N 6.380 129.232 122.820 0.053 0.000 2.312 239 A HA 0.819 5.127 4.320 -0.021 0.000 0.328 239 A C -1.009 176.610 177.584 0.058 0.000 1.158 239 A CA -0.466 51.607 52.037 0.059 0.000 0.821 239 A CB 1.351 20.388 19.000 0.061 0.000 1.170 239 A HN 0.607 nan 8.150 nan 0.000 0.490 240 L N 2.238 123.501 121.223 0.067 0.000 2.504 240 L HA 0.285 4.613 4.340 -0.021 0.000 0.265 240 L C -0.340 176.590 176.870 0.099 0.000 0.975 240 L CA -0.144 54.738 54.840 0.070 0.000 0.864 240 L CB 1.210 43.296 42.059 0.044 0.000 1.212 240 L HN 0.864 nan 8.230 nan 0.000 0.416 241 H N 4.504 123.579 119.070 0.007 0.000 3.091 241 H HA 0.510 5.054 4.556 -0.020 0.000 0.289 241 H C -0.010 175.321 175.328 0.005 0.000 0.995 241 H CA 1.165 57.215 56.048 0.005 0.000 1.461 241 H CB 0.441 30.207 29.762 0.007 0.000 1.510 241 H HN 0.931 nan 8.280 nan 0.000 0.546 242 G N 3.985 112.636 108.800 -0.248 0.000 2.317 242 G HA2 -0.084 3.864 3.960 -0.021 0.000 0.293 242 G HA3 -0.084 3.864 3.960 -0.021 0.000 0.293 242 G C -1.657 173.139 174.900 -0.174 0.000 1.287 242 G CA -0.893 44.080 45.100 -0.211 0.000 0.850 242 G HN 0.598 nan 8.290 nan 0.000 0.515 243 N N 0.362 118.978 118.700 -0.139 0.000 2.446 243 N HA 0.505 5.232 4.740 -0.021 0.000 0.265 243 N C 1.215 176.627 175.510 -0.163 0.000 0.975 243 N CA 0.265 53.221 53.050 -0.156 0.000 0.928 243 N CB 1.861 40.263 38.487 -0.142 0.000 1.160 243 N HN 0.807 nan 8.380 nan 0.000 0.495 244 A N 3.766 126.460 122.820 -0.210 0.000 1.978 244 A HA -0.134 4.173 4.320 -0.021 0.000 0.220 244 A C 1.977 179.320 177.584 -0.402 0.000 1.170 244 A CA 2.035 53.886 52.037 -0.310 0.000 0.636 244 A CB -0.631 18.129 19.000 -0.401 0.000 0.810 244 A HN 0.754 nan 8.150 nan 0.000 0.448 245 A N -0.714 121.934 122.820 -0.286 0.000 2.070 245 A HA -0.131 4.176 4.320 -0.021 0.000 0.220 245 A C 1.878 179.416 177.584 -0.077 0.000 1.159 245 A CA 1.668 53.634 52.037 -0.118 0.000 0.656 245 A CB -0.308 18.717 19.000 0.041 0.000 0.800 245 A HN 0.693 nan 8.150 nan 0.000 0.453 246 E N -0.789 119.358 120.200 -0.088 0.000 2.175 246 E HA 0.032 4.369 4.350 -0.021 0.000 0.195 246 E C 1.721 178.298 176.600 -0.038 0.000 0.934 246 E CA 0.240 56.612 56.400 -0.047 0.000 0.870 246 E CB -0.054 29.623 29.700 -0.039 0.000 0.838 246 E HN 0.448 nan 8.360 nan 0.000 0.474 247 I N 1.774 122.313 120.570 -0.052 0.000 2.179 247 I HA -0.239 3.919 4.170 -0.021 0.000 0.242 247 I C 2.440 178.574 176.117 0.028 0.000 1.088 247 I CA 1.291 62.583 61.300 -0.013 0.000 1.357 247 I CB -1.130 36.860 38.000 -0.018 0.000 1.051 247 I HN 0.176 nan 8.210 nan 0.000 0.409 248 L N 0.552 121.780 121.223 0.008 0.000 1.989 248 L HA -0.161 4.166 4.340 -0.021 0.000 0.211 248 L C 0.129 177.043 176.870 0.073 0.000 1.071 248 L CA 2.145 57.061 54.840 0.127 0.000 0.749 248 L CB -2.466 39.670 42.059 0.129 0.000 0.890 248 L HN 0.165 nan 8.230 nan 0.000 0.431 249 P HA -0.187 nan 4.420 nan 0.000 0.216 249 P C 1.400 178.682 177.300 -0.030 0.000 1.150 249 P CA 1.192 64.269 63.100 -0.038 0.000 0.837 249 P CB 0.132 31.819 31.700 -0.023 0.000 0.786 250 E N -0.073 120.129 120.200 0.004 0.000 2.031 250 E HA -0.152 4.186 4.350 -0.021 0.000 0.193 250 E C 1.890 178.514 176.600 0.041 0.000 0.994 250 E CA 1.329 57.738 56.400 0.015 0.000 0.800 250 E CB -1.282 28.430 29.700 0.021 0.000 0.752 250 E HN 0.099 nan 8.360 nan 0.000 0.447 251 L N -0.344 120.939 121.223 0.100 0.000 2.042 251 L HA -0.187 4.141 4.340 -0.021 0.000 0.210 251 L C 2.499 179.452 176.870 0.139 0.000 1.076 251 L CA 1.022 55.973 54.840 0.185 0.000 0.749 251 L CB -0.465 41.803 42.059 0.348 0.000 0.893 251 L HN 0.102 nan 8.230 nan 0.000 0.432 252 V N -0.047 119.846 119.914 -0.036 0.000 2.287 252 V HA -0.334 3.773 4.120 -0.021 0.000 0.248 252 V C 2.465 178.495 176.094 -0.107 0.000 1.053 252 V CA 1.875 64.008 62.300 -0.278 0.000 1.027 252 V CB -0.510 31.025 31.823 -0.481 0.000 0.646 252 V HN 0.435 nan 8.190 nan 0.000 0.447 253 K N -0.390 119.973 120.400 -0.062 0.000 2.209 253 K HA -0.105 4.202 4.320 -0.021 0.000 0.204 253 K C 2.199 178.798 176.600 -0.001 0.000 1.048 253 K CA 1.064 57.332 56.287 -0.031 0.000 0.940 253 K CB -0.185 32.302 32.500 -0.022 0.000 0.729 253 K HN 0.425 nan 8.250 nan 0.000 0.451 254 R N -0.471 120.043 120.500 0.023 0.000 2.275 254 R HA 0.001 4.328 4.340 -0.021 0.000 0.199 254 R C 1.041 177.370 176.300 0.049 0.000 0.989 254 R CA 0.659 56.782 56.100 0.037 0.000 1.016 254 R CB 0.263 30.594 30.300 0.052 0.000 0.918 254 R HN 0.371 nan 8.270 nan 0.000 0.473 255 G N 0.956 109.789 108.800 0.055 0.000 2.143 255 G HA2 -0.246 3.701 3.960 -0.021 0.000 0.249 255 G HA3 -0.246 3.701 3.960 -0.021 0.000 0.249 255 G C 0.224 175.199 174.900 0.126 0.000 0.981 255 G CA 0.021 45.162 45.100 0.069 0.000 0.665 255 G HN 0.136 nan 8.290 nan 0.000 0.528 256 V N 0.444 120.466 119.914 0.181 0.000 2.740 256 V HA 0.426 4.534 4.120 -0.021 0.000 0.303 256 V C 1.065 177.349 176.094 0.316 0.000 1.054 256 V CA 0.434 62.885 62.300 0.253 0.000 1.106 256 V CB 1.495 33.494 31.823 0.293 0.000 0.957 256 V HN 0.443 nan 8.190 nan 0.000 0.486 257 R N 5.151 125.811 120.500 0.267 0.000 2.472 257 R HA 0.403 4.730 4.340 -0.021 0.000 0.294 257 R C -2.752 173.492 176.300 -0.093 0.000 1.243 257 R CA -1.538 54.641 56.100 0.131 0.000 1.023 257 R CB 1.691 32.062 30.300 0.118 0.000 1.157 257 R HN 0.504 nan 8.270 nan 0.000 0.530 258 P HA 0.128 nan 4.420 nan 0.000 0.275 258 P C -0.380 176.390 177.300 -0.883 0.000 1.266 258 P CA -0.303 61.887 63.100 -1.517 0.000 0.793 258 P CB 0.857 31.573 31.700 -1.641 0.000 1.074 259 D N -0.815 119.028 120.400 -0.929 0.000 2.389 259 D HA 0.174 4.801 4.640 -0.021 0.000 0.206 259 D C 0.399 176.566 176.300 -0.220 0.000 1.055 259 D CA 0.980 54.726 54.000 -0.424 0.000 0.856 259 D CB 0.474 40.938 40.800 -0.560 0.000 0.957 259 D HN 0.254 nan 8.370 nan 0.000 0.509 260 M N 0.908 120.262 119.600 -0.410 0.000 2.333 260 M HA 0.195 4.663 4.480 -0.021 0.000 0.286 260 M C -2.205 173.849 176.300 -0.410 0.000 1.113 260 M CA -0.395 54.761 55.300 -0.240 0.000 0.959 260 M CB 3.012 35.552 32.600 -0.100 0.000 1.776 260 M HN -0.405 nan 8.290 nan 0.000 0.492 261 V N 2.314 121.992 119.914 -0.392 0.000 2.656 261 V HA 0.896 5.004 4.120 -0.021 0.000 0.307 261 V C -0.316 175.436 176.094 -0.571 0.000 1.051 261 V CA -0.300 61.709 62.300 -0.485 0.000 0.893 261 V CB 2.104 33.607 31.823 -0.533 0.000 0.999 261 V HN 0.952 nan 8.190 nan 0.000 0.426 262 T N 2.303 116.564 114.554 -0.488 0.000 2.637 262 T HA 0.573 4.911 4.350 -0.021 0.000 0.303 262 T C -2.329 172.263 174.700 -0.180 0.000 1.288 262 T CA -0.250 61.531 62.100 -0.532 0.000 1.040 262 T CB 1.960 70.263 68.868 -0.941 0.000 1.644 262 T HN 0.886 nan 8.240 nan 0.000 0.480 263 D N -0.222 120.148 120.400 -0.050 0.000 2.706 263 D HA 0.401 5.028 4.640 -0.021 0.000 0.225 263 D C -1.302 175.101 176.300 0.172 0.000 1.241 263 D CA -0.198 53.859 54.000 0.094 0.000 0.784 263 D CB 1.805 42.654 40.800 0.082 0.000 1.521 263 D HN 0.437 nan 8.370 nan 0.000 0.461 264 Q N 1.796 121.717 119.800 0.203 0.000 2.248 264 Q HA 0.242 4.570 4.340 -0.021 0.000 0.324 264 Q C -0.652 175.483 176.000 0.224 0.000 0.867 264 Q CA -0.392 55.547 55.803 0.227 0.000 1.101 264 Q CB 0.608 29.502 28.738 0.260 0.000 1.328 264 Q HN 0.667 nan 8.270 nan 0.000 0.408 265 T N -2.907 111.801 114.554 0.257 0.000 2.788 265 T HA 0.256 4.593 4.350 -0.021 0.000 0.287 265 T C 0.724 175.620 174.700 0.327 0.000 1.007 265 T CA -0.503 61.766 62.100 0.282 0.000 1.005 265 T CB 1.480 70.560 68.868 0.354 0.000 1.012 265 T HN 0.010 nan 8.240 nan 0.000 0.530 266 S N 0.870 116.778 115.700 0.346 0.000 3.324 266 S HA 0.365 4.823 4.470 -0.021 0.000 0.229 266 S C 1.754 176.499 174.600 0.242 0.000 1.417 266 S CA -0.247 58.190 58.200 0.395 0.000 1.211 266 S CB -1.061 62.353 63.200 0.358 0.000 1.157 266 S HN 0.825 nan 8.310 nan 0.000 0.491 267 A N 1.888 124.873 122.820 0.275 0.000 2.125 267 A HA -0.169 4.138 4.320 -0.021 0.000 0.219 267 A C 1.902 179.470 177.584 -0.027 0.000 1.156 267 A CA 1.325 53.397 52.037 0.058 0.000 0.671 267 A CB -0.690 18.274 19.000 -0.061 0.000 0.794 267 A HN 0.870 nan 8.150 nan 0.000 0.459 268 H N -1.442 117.668 119.070 0.067 0.000 2.518 268 H HA -0.035 4.508 4.556 -0.021 0.000 0.289 268 H C -0.518 174.902 175.328 0.153 0.000 1.051 268 H CA 1.335 57.452 56.048 0.115 0.000 1.280 268 H CB -0.074 29.800 29.762 0.188 0.000 1.380 268 H HN 0.401 nan 8.280 nan 0.000 0.566 269 D N 0.757 120.695 120.400 -0.770 0.000 2.400 269 D HA 0.232 4.859 4.640 -0.021 0.000 0.272 269 D C -2.029 173.938 176.300 -0.556 0.000 1.220 269 D CA -2.463 50.981 54.000 -0.928 0.000 0.897 269 D CB 1.398 41.404 40.800 -1.323 0.000 1.134 269 D HN -0.059 nan 8.370 nan 0.000 0.507 270 P HA -0.197 nan 4.420 nan 0.000 0.218 270 P C 1.547 178.783 177.300 -0.107 0.000 1.154 270 P CA 0.627 63.623 63.100 -0.173 0.000 0.872 270 P CB 0.324 31.943 31.700 -0.135 0.000 0.790 271 L N -1.295 119.785 121.223 -0.239 0.000 2.141 271 L HA -0.057 4.271 4.340 -0.021 0.000 0.209 271 L C 1.478 178.169 176.870 -0.298 0.000 1.094 271 L CA 2.022 56.731 54.840 -0.219 0.000 0.763 271 L CB -0.779 41.125 42.059 -0.259 0.000 0.908 271 L HN -0.063 nan 8.230 nan 0.000 0.437 272 N N -1.365 117.152 118.700 -0.306 0.000 2.460 272 N HA 0.154 4.882 4.740 -0.021 0.000 0.193 272 N C 1.440 176.960 175.510 0.016 0.000 1.080 272 N CA 0.930 53.831 53.050 -0.248 0.000 0.869 272 N CB 0.207 38.542 38.487 -0.253 0.000 1.201 272 N HN 0.372 nan 8.380 nan 0.000 0.457 273 G N -1.018 107.799 108.800 0.028 0.000 3.393 273 G HA2 0.096 4.044 3.960 -0.021 0.000 0.255 273 G HA3 0.096 4.044 3.960 -0.021 0.000 0.255 273 G C -0.744 174.325 174.900 0.282 0.000 1.097 273 G CA 0.055 45.280 45.100 0.210 0.000 0.780 273 G HN 0.172 nan 8.290 nan 0.000 0.540 274 Y N 0.546 120.862 120.300 0.028 0.000 2.333 274 Y HA 0.508 5.046 4.550 -0.019 0.000 0.324 274 Y C -0.841 174.691 175.900 -0.614 0.000 1.033 274 Y CA -1.332 56.681 58.100 -0.144 0.000 1.224 274 Y CB 1.585 39.971 38.460 -0.124 0.000 1.120 274 Y HN -0.056 nan 8.280 nan 0.000 0.457 275 L N 9.299 129.993 121.223 -0.882 0.000 2.433 275 L HA 0.437 4.765 4.340 -0.021 0.000 0.275 275 L C -2.512 173.896 176.870 -0.769 0.000 1.128 275 L CA -1.496 52.711 54.840 -1.056 0.000 0.875 275 L CB 0.240 42.024 42.059 -0.458 0.000 1.171 275 L HN 0.417 nan 8.230 nan 0.000 0.463 276 P HA 0.121 nan 4.420 nan 0.000 0.269 276 P C -1.011 176.020 177.300 -0.449 0.000 1.209 276 P CA -0.233 62.412 63.100 -0.759 0.000 0.776 276 P CB 0.586 31.330 31.700 -1.593 0.000 0.876 277 A N 2.918 125.614 122.820 -0.207 0.000 2.548 277 A HA 0.387 4.694 4.320 -0.021 0.000 0.247 277 A C 1.551 179.185 177.584 0.083 0.000 1.067 277 A CA 0.918 52.922 52.037 -0.055 0.000 0.757 277 A CB -1.557 17.434 19.000 -0.015 0.000 0.996 277 A HN 0.876 nan 8.150 nan 0.000 0.504 278 G N 1.068 109.933 108.800 0.108 0.000 2.199 278 G HA2 -0.231 3.717 3.960 -0.021 0.000 0.254 278 G HA3 -0.231 3.717 3.960 -0.021 0.000 0.254 278 G C -0.117 174.957 174.900 0.290 0.000 0.982 278 G CA 0.304 45.511 45.100 0.180 0.000 0.632 278 G HN 0.751 nan 8.290 nan 0.000 0.529 279 W N 1.769 123.041 121.300 -0.047 0.000 2.381 279 W HA 0.657 5.304 4.660 -0.022 0.000 0.329 279 W C 1.020 177.534 176.519 -0.008 0.000 1.157 279 W CA -0.032 57.292 57.345 -0.035 0.000 1.240 279 W CB 0.881 30.295 29.460 -0.076 0.000 1.199 279 W HN 0.389 nan 8.180 nan 0.000 0.579 280 T N -0.769 113.929 114.554 0.240 0.000 2.909 280 T HA 0.061 4.399 4.350 -0.021 0.000 0.286 280 T C 0.725 175.612 174.700 0.313 0.000 1.002 280 T CA -0.632 61.601 62.100 0.221 0.000 1.074 280 T CB 1.191 70.150 68.868 0.153 0.000 0.984 280 T HN 0.630 nan 8.240 nan 0.000 0.495 281 W N 1.567 122.968 121.300 0.168 0.000 2.364 281 W HA -0.155 4.497 4.660 -0.012 0.000 0.281 281 W C 1.184 177.843 176.519 0.233 0.000 1.219 281 W CA 1.664 59.151 57.345 0.236 0.000 1.220 281 W CB -0.137 29.431 29.460 0.180 0.000 1.127 281 W HN 0.875 nan 8.180 nan 0.000 0.556 282 E N 0.117 120.509 120.200 0.319 0.000 2.031 282 E HA -0.267 4.070 4.350 -0.021 0.000 0.193 282 E C 2.106 178.761 176.600 0.092 0.000 0.994 282 E CA 2.074 58.584 56.400 0.184 0.000 0.800 282 E CB -0.916 28.866 29.700 0.137 0.000 0.752 282 E HN 0.389 nan 8.360 nan 0.000 0.447 283 Q N -0.707 119.141 119.800 0.079 0.000 2.167 283 Q HA -0.157 4.170 4.340 -0.021 0.000 0.202 283 Q C 1.958 178.012 176.000 0.089 0.000 0.970 283 Q CA 1.275 57.068 55.803 -0.017 0.000 0.855 283 Q CB -0.293 28.346 28.738 -0.165 0.000 0.911 283 Q HN 0.450 nan 8.270 nan 0.000 0.438 284 Y N 1.559 121.910 120.300 0.085 0.000 2.070 284 Y HA -0.248 4.289 4.550 -0.022 0.000 0.280 284 Y C 2.172 178.028 175.900 -0.072 0.000 1.148 284 Y CA 1.311 59.487 58.100 0.126 0.000 1.125 284 Y CB 0.177 38.488 38.460 -0.247 0.000 0.975 284 Y HN -0.059 nan 8.280 nan 0.000 0.492 285 R N 0.246 120.551 120.500 -0.325 0.000 2.235 285 R HA -0.112 4.215 4.340 -0.021 0.000 0.213 285 R C 1.384 177.584 176.300 -0.166 0.000 1.059 285 R CA 1.065 56.948 56.100 -0.360 0.000 0.997 285 R CB -0.150 30.012 30.300 -0.229 0.000 0.884 285 R HN 0.511 nan 8.270 nan 0.000 0.462 286 D N 0.614 120.964 120.400 -0.084 0.000 2.120 286 D HA -0.052 4.575 4.640 -0.021 0.000 0.202 286 D C 1.840 178.109 176.300 -0.052 0.000 0.972 286 D CA 0.993 54.960 54.000 -0.055 0.000 0.837 286 D CB -0.005 40.770 40.800 -0.041 0.000 0.989 286 D HN 0.132 nan 8.370 nan 0.000 0.469 287 R N 0.953 121.435 120.500 -0.030 0.000 2.189 287 R HA 0.048 4.376 4.340 -0.021 0.000 0.223 287 R C 2.208 178.518 176.300 0.018 0.000 1.092 287 R CA 0.758 56.865 56.100 0.011 0.000 0.989 287 R CB -0.144 30.191 30.300 0.059 0.000 0.876 287 R HN 0.055 nan 8.270 nan 0.000 0.457 288 A N 2.010 124.791 122.820 -0.065 0.000 1.917 288 A HA -0.254 4.054 4.320 -0.021 0.000 0.219 288 A C 2.008 179.547 177.584 -0.075 0.000 1.182 288 A CA 1.705 53.661 52.037 -0.134 0.000 0.633 288 A CB -0.365 18.445 19.000 -0.316 0.000 0.819 288 A HN 0.527 nan 8.150 nan 0.000 0.448 289 Q N -2.282 117.482 119.800 -0.061 0.000 2.319 289 Q HA 0.119 4.447 4.340 -0.021 0.000 0.202 289 Q C 1.264 177.255 176.000 -0.014 0.000 0.896 289 Q CA 0.950 56.734 55.803 -0.033 0.000 0.942 289 Q CB -0.096 28.623 28.738 -0.032 0.000 1.083 289 Q HN 0.421 nan 8.270 nan 0.000 0.510 290 T N 1.983 116.531 114.554 -0.011 0.000 2.925 290 T HA -0.029 4.308 4.350 -0.021 0.000 0.245 290 T C 0.280 174.987 174.700 0.012 0.000 1.025 290 T CA 1.122 63.220 62.100 -0.003 0.000 1.149 290 T CB 0.139 69.001 68.868 -0.010 0.000 0.866 290 T HN 0.540 nan 8.240 nan 0.000 0.437 291 E N 1.127 121.344 120.200 0.028 0.000 4.052 291 E HA 0.215 4.553 4.350 -0.021 0.000 0.219 291 E C -2.217 174.418 176.600 0.059 0.000 1.166 291 E CA -1.527 54.901 56.400 0.046 0.000 1.338 291 E CB 1.051 30.787 29.700 0.060 0.000 1.212 291 E HN 0.207 nan 8.360 nan 0.000 0.432 292 P HA -0.363 nan 4.420 nan 0.000 0.217 292 P C 1.412 178.736 177.300 0.039 0.000 1.162 292 P CA 2.212 65.327 63.100 0.024 0.000 0.901 292 P CB 0.256 31.964 31.700 0.013 0.000 0.793 293 A N 0.351 123.199 122.820 0.047 0.000 1.940 293 A HA -0.108 4.199 4.320 -0.021 0.000 0.219 293 A C 2.555 180.173 177.584 0.057 0.000 1.176 293 A CA 2.543 54.611 52.037 0.050 0.000 0.631 293 A CB -1.526 17.505 19.000 0.051 0.000 0.814 293 A HN 0.297 nan 8.150 nan 0.000 0.446 294 A N -0.744 122.123 122.820 0.077 0.000 1.897 294 A HA 0.086 4.393 4.320 -0.021 0.000 0.215 294 A C 2.192 179.855 177.584 0.132 0.000 1.181 294 A CA 1.546 53.647 52.037 0.106 0.000 0.620 294 A CB -0.795 18.282 19.000 0.127 0.000 0.821 294 A HN 0.382 nan 8.150 nan 0.000 0.443 295 V N -0.271 119.733 119.914 0.151 0.000 2.407 295 V HA -0.216 3.892 4.120 -0.021 0.000 0.248 295 V C 2.542 178.638 176.094 0.003 0.000 1.055 295 V CA 1.905 64.287 62.300 0.137 0.000 1.049 295 V CB -0.765 31.162 31.823 0.172 0.000 0.662 295 V HN 0.357 nan 8.190 nan 0.000 0.455 296 V N -0.108 119.811 119.914 0.009 0.000 2.343 296 V HA -0.279 3.828 4.120 -0.021 0.000 0.247 296 V C 2.441 178.515 176.094 -0.034 0.000 1.051 296 V CA 2.036 64.322 62.300 -0.023 0.000 1.036 296 V CB -0.708 31.113 31.823 -0.003 0.000 0.654 296 V HN 0.564 nan 8.190 nan 0.000 0.451 297 K N 0.397 120.794 120.400 -0.006 0.000 2.026 297 K HA -0.134 4.173 4.320 -0.021 0.000 0.208 297 K C 2.352 178.927 176.600 -0.042 0.000 1.048 297 K CA 1.555 57.838 56.287 -0.006 0.000 0.929 297 K CB -0.491 32.025 32.500 0.027 0.000 0.713 297 K HN 0.461 nan 8.250 nan 0.000 0.439 298 A N 1.729 124.512 122.820 -0.062 0.000 1.858 298 A HA -0.156 4.151 4.320 -0.021 0.000 0.216 298 A C 2.444 179.877 177.584 -0.252 0.000 1.190 298 A CA 2.005 53.946 52.037 -0.160 0.000 0.617 298 A CB -0.928 17.903 19.000 -0.281 0.000 0.827 298 A HN 0.344 nan 8.150 nan 0.000 0.443 299 A N -0.144 122.511 122.820 -0.274 0.000 1.883 299 A HA -0.214 4.094 4.320 -0.021 0.000 0.217 299 A C 2.113 179.591 177.584 -0.177 0.000 1.186 299 A CA 1.959 53.880 52.037 -0.193 0.000 0.624 299 A CB -0.497 18.429 19.000 -0.122 0.000 0.822 299 A HN 0.567 nan 8.150 nan 0.000 0.444 300 K N -0.625 119.676 120.400 -0.165 0.000 2.148 300 K HA -0.133 4.175 4.320 -0.021 0.000 0.204 300 K C 2.225 178.748 176.600 -0.129 0.000 1.050 300 K CA 1.380 57.566 56.287 -0.170 0.000 0.942 300 K CB -0.168 32.270 32.500 -0.104 0.000 0.724 300 K HN 0.628 nan 8.250 nan 0.000 0.446 301 Q N 0.147 119.893 119.800 -0.090 0.000 2.167 301 Q HA -0.064 4.264 4.340 -0.021 0.000 0.202 301 Q C 2.062 178.038 176.000 -0.040 0.000 0.970 301 Q CA 1.176 56.949 55.803 -0.051 0.000 0.855 301 Q CB 0.115 28.835 28.738 -0.030 0.000 0.911 301 Q HN 0.170 nan 8.270 nan 0.000 0.438 302 S N 0.509 116.184 115.700 -0.043 0.000 2.387 302 S HA -0.059 4.399 4.470 -0.021 0.000 0.226 302 S C 1.866 176.504 174.600 0.064 0.000 1.026 302 S CA 0.863 59.092 58.200 0.047 0.000 0.972 302 S CB -0.051 63.230 63.200 0.136 0.000 0.814 302 S HN 0.308 nan 8.310 nan 0.000 0.477 303 M N 1.191 120.695 119.600 -0.160 0.000 2.159 303 M HA -0.129 4.338 4.480 -0.021 0.000 0.263 303 M C 2.415 178.664 176.300 -0.085 0.000 1.063 303 M CA 1.379 56.512 55.300 -0.278 0.000 1.110 303 M CB -0.516 31.779 32.600 -0.508 0.000 1.374 303 M HN 0.407 nan 8.290 nan 0.000 0.411 304 A N -0.119 122.663 122.820 -0.064 0.000 1.865 304 A HA -0.142 4.166 4.320 -0.021 0.000 0.217 304 A C 2.184 179.783 177.584 0.025 0.000 1.191 304 A CA 1.940 53.963 52.037 -0.024 0.000 0.623 304 A CB -1.107 17.881 19.000 -0.021 0.000 0.826 304 A HN 0.297 nan 8.150 nan 0.000 0.444 305 V N -0.360 119.580 119.914 0.044 0.000 2.407 305 V HA -0.311 3.796 4.120 -0.021 0.000 0.248 305 V C 2.418 178.585 176.094 0.121 0.000 1.055 305 V CA 2.391 64.728 62.300 0.061 0.000 1.049 305 V CB -1.110 30.742 31.823 0.048 0.000 0.662 305 V HN 0.840 nan 8.190 nan 0.000 0.455 306 H N -0.496 118.596 119.070 0.037 0.000 2.293 306 H HA -0.137 4.406 4.556 -0.021 0.000 0.300 306 H C 2.287 177.651 175.328 0.060 0.000 1.082 306 H CA 1.709 57.800 56.048 0.071 0.000 1.308 306 H CB 0.206 30.049 29.762 0.136 0.000 1.375 306 H HN 0.232 nan 8.280 nan 0.000 0.495 307 V N 0.886 120.871 119.914 0.118 0.000 2.407 307 V HA -0.248 3.860 4.120 -0.021 0.000 0.248 307 V C 2.509 178.676 176.094 0.122 0.000 1.055 307 V CA 2.023 64.377 62.300 0.091 0.000 1.049 307 V CB -0.572 31.270 31.823 0.032 0.000 0.662 307 V HN 0.429 nan 8.190 nan 0.000 0.455 308 Q N 0.736 120.584 119.800 0.080 0.000 2.084 308 Q HA -0.157 4.171 4.340 -0.021 0.000 0.202 308 Q C 2.134 178.136 176.000 0.004 0.000 0.978 308 Q CA 2.248 58.077 55.803 0.044 0.000 0.844 308 Q CB -0.630 28.121 28.738 0.021 0.000 0.898 308 Q HN 0.592 nan 8.270 nan 0.000 0.426 309 A N -0.012 122.814 122.820 0.010 0.000 1.902 309 A HA -0.181 4.127 4.320 -0.021 0.000 0.217 309 A C 2.119 179.646 177.584 -0.094 0.000 1.181 309 A CA 1.767 53.747 52.037 -0.096 0.000 0.623 309 A CB -0.564 18.432 19.000 -0.006 0.000 0.818 309 A HN 0.517 nan 8.150 nan 0.000 0.443 310 M N -0.747 118.898 119.600 0.075 0.000 2.117 310 M HA -0.082 4.385 4.480 -0.021 0.000 0.262 310 M C 2.085 178.340 176.300 -0.075 0.000 1.065 310 M CA 1.265 56.577 55.300 0.019 0.000 1.114 310 M CB -0.500 31.971 32.600 -0.215 0.000 1.361 310 M HN 0.359 nan 8.290 nan 0.000 0.408 311 L N -0.020 121.211 121.223 0.014 0.000 2.083 311 L HA -0.235 4.093 4.340 -0.021 0.000 0.209 311 L C 1.943 178.815 176.870 0.004 0.000 1.083 311 L CA 0.935 55.820 54.840 0.075 0.000 0.752 311 L CB -0.732 41.401 42.059 0.122 0.000 0.899 311 L HN 0.277 nan 8.230 nan 0.000 0.433 312 D N -0.255 120.095 120.400 -0.083 0.000 2.117 312 D HA -0.168 4.459 4.640 -0.021 0.000 0.197 312 D C 2.075 178.285 176.300 -0.150 0.000 0.987 312 D CA 1.297 55.204 54.000 -0.156 0.000 0.829 312 D CB -0.196 40.434 40.800 -0.283 0.000 0.961 312 D HN 0.157 nan 8.370 nan 0.000 0.460 313 F N 1.191 121.100 119.950 -0.068 0.000 2.134 313 F HA -0.104 4.411 4.527 -0.019 0.000 0.299 313 F C 2.613 178.360 175.800 -0.089 0.000 1.097 313 F CA 0.870 58.814 58.000 -0.092 0.000 1.264 313 F CB -0.648 38.264 39.000 -0.146 0.000 1.001 313 F HN -0.024 nan 8.300 nan 0.000 0.479 314 Q N 0.512 120.365 119.800 0.089 0.000 2.124 314 Q HA -0.214 4.113 4.340 -0.021 0.000 0.202 314 Q C 1.996 178.023 176.000 0.045 0.000 0.977 314 Q CA 1.455 57.284 55.803 0.044 0.000 0.850 314 Q CB -0.055 28.712 28.738 0.049 0.000 0.901 314 Q HN 0.372 nan 8.270 nan 0.000 0.429 315 K N -0.248 120.174 120.400 0.036 0.000 2.209 315 K HA -0.120 4.188 4.320 -0.021 0.000 0.204 315 K C 1.768 178.384 176.600 0.026 0.000 1.048 315 K CA 0.795 57.098 56.287 0.027 0.000 0.940 315 K CB 0.170 32.675 32.500 0.009 0.000 0.729 315 K HN 0.184 nan 8.250 nan 0.000 0.451 316 Q N -0.642 119.179 119.800 0.036 0.000 2.403 316 Q HA 0.048 4.376 4.340 -0.021 0.000 0.203 316 Q C 1.023 177.047 176.000 0.040 0.000 0.932 316 Q CA 0.799 56.629 55.803 0.044 0.000 0.945 316 Q CB 1.091 29.874 28.738 0.074 0.000 1.045 316 Q HN 0.548 nan 8.270 nan 0.000 0.511 317 G N 0.046 108.863 108.800 0.028 0.000 2.159 317 G HA2 -0.234 3.713 3.960 -0.021 0.000 0.227 317 G HA3 -0.234 3.713 3.960 -0.021 0.000 0.227 317 G C 0.125 175.008 174.900 -0.027 0.000 0.986 317 G CA 0.128 45.230 45.100 0.004 0.000 0.651 317 G HN 0.209 nan 8.290 nan 0.000 0.523 318 V N 2.145 122.051 119.914 -0.012 0.000 2.427 318 V HA 0.338 4.446 4.120 -0.021 0.000 0.268 318 V C -1.483 174.547 176.094 -0.106 0.000 1.046 318 V CA -1.238 61.025 62.300 -0.063 0.000 0.970 318 V CB 1.111 32.891 31.823 -0.073 0.000 1.001 318 V HN 0.112 nan 8.190 nan 0.000 0.476 319 P HA 0.107 nan 4.420 nan 0.000 0.260 319 P C -0.311 176.988 177.300 -0.002 0.000 1.185 319 P CA 0.644 63.630 63.100 -0.190 0.000 0.763 319 P CB 0.211 31.667 31.700 -0.406 0.000 0.776 320 T N 4.536 119.130 114.554 0.066 0.000 2.886 320 T HA 0.739 5.076 4.350 -0.021 0.000 0.292 320 T C -0.641 174.187 174.700 0.213 0.000 1.012 320 T CA -0.337 61.714 62.100 -0.081 0.000 0.982 320 T CB 0.626 69.280 68.868 -0.358 0.000 1.018 320 T HN 0.240 nan 8.240 nan 0.000 0.451 321 F N -0.275 119.751 119.950 0.126 0.000 2.654 321 F HA 0.638 5.152 4.527 -0.023 0.000 0.308 321 F C -1.024 175.084 175.800 0.514 0.000 1.108 321 F CA -1.297 56.978 58.000 0.458 0.000 0.957 321 F CB 1.110 40.404 39.000 0.490 0.000 1.309 321 F HN 0.355 nan 8.300 nan 0.000 0.446 322 D N 1.555 122.431 120.400 0.794 0.000 2.312 322 D HA 0.044 4.672 4.640 -0.021 0.000 0.252 322 D C -0.871 175.863 176.300 0.724 0.000 1.150 322 D CA 0.111 54.453 54.000 0.570 0.000 0.870 322 D CB 0.908 41.876 40.800 0.281 0.000 1.153 322 D HN 0.832 nan 8.370 nan 0.000 0.457 323 Y N 2.563 123.077 120.300 0.358 0.000 2.718 323 Y HA 0.271 4.808 4.550 -0.021 0.000 0.322 323 Y C 1.326 177.343 175.900 0.196 0.000 1.122 323 Y CA 0.080 58.332 58.100 0.253 0.000 1.348 323 Y CB -0.080 38.403 38.460 0.039 0.000 1.174 323 Y HN 0.729 nan 8.280 nan 0.000 0.523 324 G N 1.625 110.617 108.800 0.321 0.000 2.149 324 G HA2 -0.349 3.598 3.960 -0.021 0.000 0.235 324 G HA3 -0.349 3.598 3.960 -0.021 0.000 0.235 324 G C 0.210 175.184 174.900 0.123 0.000 1.018 324 G CA 0.447 45.690 45.100 0.238 0.000 0.728 324 G HN 0.609 nan 8.290 nan 0.000 0.508 325 N N 0.060 118.838 118.700 0.131 0.000 2.204 325 N HA 0.149 4.877 4.740 -0.021 0.000 0.219 325 N C 0.734 176.317 175.510 0.122 0.000 1.151 325 N CA -0.046 53.093 53.050 0.149 0.000 0.867 325 N CB -0.164 38.433 38.487 0.184 0.000 1.043 325 N HN 0.302 nan 8.380 nan 0.000 0.516 326 N N 0.105 118.838 118.700 0.053 0.000 2.708 326 N HA -0.207 4.521 4.740 -0.021 0.000 0.251 326 N C 0.415 175.848 175.510 -0.128 0.000 1.123 326 N CA 0.670 53.680 53.050 -0.066 0.000 0.739 326 N CB -1.635 36.769 38.487 -0.138 0.000 1.113 326 N HN 0.602 nan 8.380 nan 0.000 0.561 327 I N -0.265 120.244 120.570 -0.103 0.000 2.286 327 I HA -0.234 3.924 4.170 -0.021 0.000 0.248 327 I C 2.193 178.163 176.117 -0.244 0.000 1.115 327 I CA 1.185 62.382 61.300 -0.173 0.000 1.392 327 I CB 0.012 37.919 38.000 -0.156 0.000 1.065 327 I HN 0.265 nan 8.210 nan 0.000 0.418 328 R N -0.017 120.271 120.500 -0.352 0.000 2.073 328 R HA -0.261 4.066 4.340 -0.021 0.000 0.234 328 R C 2.287 178.314 176.300 -0.456 0.000 1.134 328 R CA 1.838 57.565 56.100 -0.622 0.000 0.952 328 R CB -0.445 29.053 30.300 -1.336 0.000 0.850 328 R HN 0.354 nan 8.270 nan 0.000 0.433 329 Q N 0.464 120.102 119.800 -0.270 0.000 2.096 329 Q HA -0.149 4.179 4.340 -0.021 0.000 0.204 329 Q C 1.955 177.921 176.000 -0.057 0.000 0.982 329 Q CA 1.754 57.557 55.803 0.001 0.000 0.850 329 Q CB -0.027 28.613 28.738 -0.163 0.000 0.901 329 Q HN 0.171 nan 8.270 nan 0.000 0.422 330 M N -0.533 118.984 119.600 -0.139 0.000 2.117 330 M HA -0.065 4.403 4.480 -0.021 0.000 0.262 330 M C 2.150 178.390 176.300 -0.100 0.000 1.065 330 M CA 1.664 56.894 55.300 -0.118 0.000 1.114 330 M CB -1.404 31.090 32.600 -0.177 0.000 1.361 330 M HN 0.389 nan 8.290 nan 0.000 0.408 331 A N 0.043 122.787 122.820 -0.127 0.000 1.898 331 A HA -0.177 4.130 4.320 -0.021 0.000 0.216 331 A C 2.319 179.878 177.584 -0.040 0.000 1.181 331 A CA 1.833 53.814 52.037 -0.093 0.000 0.620 331 A CB -0.591 18.344 19.000 -0.109 0.000 0.819 331 A HN 0.492 nan 8.150 nan 0.000 0.442 332 K N -0.030 120.361 120.400 -0.016 0.000 2.057 332 K HA -0.177 4.130 4.320 -0.021 0.000 0.207 332 K C 1.759 178.391 176.600 0.053 0.000 1.049 332 K CA 1.716 58.039 56.287 0.060 0.000 0.931 332 K CB -0.195 32.422 32.500 0.196 0.000 0.714 332 K HN 0.572 nan 8.250 nan 0.000 0.440 333 E N -0.021 120.206 120.200 0.046 0.000 2.338 333 E HA -0.157 4.180 4.350 -0.021 0.000 0.197 333 E C 0.770 177.382 176.600 0.021 0.000 1.007 333 E CA 0.676 57.102 56.400 0.043 0.000 0.849 333 E CB 0.201 29.931 29.700 0.049 0.000 0.774 333 E HN 0.206 nan 8.360 nan 0.000 0.506 334 E N -0.891 119.311 120.200 0.003 0.000 2.394 334 E HA 0.105 4.443 4.350 -0.021 0.000 0.191 334 E C 0.509 177.111 176.600 0.004 0.000 1.044 334 E CA 0.343 56.741 56.400 -0.004 0.000 0.939 334 E CB 0.375 30.059 29.700 -0.027 0.000 1.089 334 E HN 0.264 nan 8.360 nan 0.000 0.456 335 G N -0.649 108.160 108.800 0.014 0.000 2.176 335 G HA2 -0.247 3.700 3.960 -0.021 0.000 0.232 335 G HA3 -0.247 3.700 3.960 -0.021 0.000 0.232 335 G C 0.273 175.184 174.900 0.019 0.000 0.986 335 G CA 0.190 45.300 45.100 0.017 0.000 0.643 335 G HN 0.175 nan 8.290 nan 0.000 0.522 336 V N 1.864 121.788 119.914 0.017 0.000 2.096 336 V HA 0.538 4.646 4.120 -0.021 0.000 0.259 336 V C 1.960 178.076 176.094 0.037 0.000 1.420 336 V CA 0.700 63.012 62.300 0.019 0.000 1.336 336 V CB -0.186 31.640 31.823 0.004 0.000 1.394 336 V HN 0.838 nan 8.190 nan 0.000 0.494 337 A N 4.001 126.846 122.820 0.042 0.000 1.940 337 A HA -0.234 4.074 4.320 -0.021 0.000 0.221 337 A C 1.892 179.521 177.584 0.075 0.000 1.190 337 A CA 2.435 54.505 52.037 0.056 0.000 0.647 337 A CB -0.399 18.626 19.000 0.041 0.000 0.821 337 A HN 0.835 nan 8.150 nan 0.000 0.457 338 N N -0.202 118.535 118.700 0.063 0.000 2.295 338 N HA 0.344 5.072 4.740 -0.021 0.000 0.221 338 N C 1.043 176.586 175.510 0.056 0.000 1.129 338 N CA 0.811 53.904 53.050 0.073 0.000 0.836 338 N CB -0.327 38.198 38.487 0.063 0.000 1.040 338 N HN 0.340 nan 8.380 nan 0.000 0.494 339 A N 0.251 123.084 122.820 0.022 0.000 2.032 339 A HA -0.085 4.223 4.320 -0.021 0.000 0.221 339 A C 0.939 178.273 177.584 -0.417 0.000 1.165 339 A CA 0.789 52.738 52.037 -0.147 0.000 0.645 339 A CB -0.836 18.047 19.000 -0.196 0.000 0.807 339 A HN 0.292 nan 8.150 nan 0.000 0.453 340 F N 0.012 119.855 119.950 -0.178 0.000 2.701 340 F HA 0.139 4.654 4.527 -0.020 0.000 0.295 340 F C 0.904 176.613 175.800 -0.152 0.000 1.165 340 F CA -0.196 57.664 58.000 -0.233 0.000 1.399 340 F CB 0.285 39.202 39.000 -0.138 0.000 0.996 340 F HN 0.125 nan 8.300 nan 0.000 0.513 341 D N 0.172 120.578 120.400 0.010 0.000 2.317 341 D HA -0.058 4.569 4.640 -0.021 0.000 0.211 341 D C 0.261 176.671 176.300 0.183 0.000 0.966 341 D CA 0.792 54.858 54.000 0.109 0.000 0.876 341 D CB -0.026 40.856 40.800 0.137 0.000 0.927 341 D HN 0.262 nan 8.370 nan 0.000 0.519 342 F N -0.258 119.729 119.950 0.063 0.000 2.495 342 F HA 0.620 5.135 4.527 -0.020 0.000 0.327 342 F C -2.685 173.178 175.800 0.104 0.000 1.103 342 F CA -2.901 55.148 58.000 0.082 0.000 0.949 342 F CB 1.092 40.137 39.000 0.075 0.000 1.142 342 F HN -0.315 nan 8.300 nan 0.000 0.457 343 P HA 0.269 nan 4.420 nan 0.000 0.274 343 P C -0.132 177.327 177.300 0.265 0.000 1.256 343 P CA -0.112 63.094 63.100 0.177 0.000 0.795 343 P CB 1.110 32.867 31.700 0.094 0.000 1.038 344 G N -0.043 108.863 108.800 0.176 0.000 2.539 344 G HA2 0.250 4.197 3.960 -0.021 0.000 0.258 344 G HA3 0.250 4.197 3.960 -0.021 0.000 0.258 344 G C 0.641 175.666 174.900 0.208 0.000 1.202 344 G CA -0.708 44.535 45.100 0.238 0.000 0.851 344 G HN 0.548 nan 8.290 nan 0.000 0.556 345 F N 1.053 121.172 119.950 0.281 0.000 2.269 345 F HA -0.044 4.473 4.527 -0.017 0.000 0.301 345 F C 2.076 177.884 175.800 0.014 0.000 1.082 345 F CA 1.117 59.220 58.000 0.172 0.000 1.360 345 F CB -0.469 38.768 39.000 0.396 0.000 1.041 345 F HN 0.281 nan 8.300 nan 0.000 0.512 346 V N 2.818 122.252 119.914 -0.800 0.000 2.346 346 V HA -0.014 4.093 4.120 -0.021 0.000 0.244 346 V C -0.282 175.597 176.094 -0.358 0.000 1.037 346 V CA 1.586 63.516 62.300 -0.618 0.000 1.029 346 V CB -1.269 30.165 31.823 -0.647 0.000 0.663 346 V HN 0.235 nan 8.190 nan 0.000 0.454 347 P HA -0.052 nan 4.420 nan 0.000 0.221 347 P C 1.500 178.656 177.300 -0.239 0.000 1.150 347 P CA 2.063 65.053 63.100 -0.184 0.000 0.800 347 P CB -0.058 31.585 31.700 -0.095 0.000 0.787 348 A N -1.449 121.152 122.820 -0.365 0.000 1.935 348 A HA -0.044 4.264 4.320 -0.021 0.000 0.214 348 A C 1.533 178.654 177.584 -0.772 0.000 1.178 348 A CA 1.066 52.701 52.037 -0.669 0.000 0.640 348 A CB -0.888 17.478 19.000 -1.058 0.000 0.825 348 A HN 0.139 nan 8.150 nan 0.000 0.447 349 Y N -2.459 117.738 120.300 -0.172 0.000 2.572 349 Y HA 0.338 4.876 4.550 -0.019 0.000 0.274 349 Y C 1.724 177.486 175.900 -0.230 0.000 1.135 349 Y CA -0.621 57.357 58.100 -0.203 0.000 1.230 349 Y CB 0.440 38.753 38.460 -0.245 0.000 1.293 349 Y HN 0.080 nan 8.280 nan 0.000 0.501 350 I N 0.046 120.530 120.570 -0.143 0.000 3.462 350 I HA 0.061 4.219 4.170 -0.021 0.000 0.290 350 I C 2.230 178.044 176.117 -0.504 0.000 1.236 350 I CA 0.561 61.679 61.300 -0.303 0.000 1.418 350 I CB -0.639 37.162 38.000 -0.331 0.000 1.102 350 I HN 0.145 nan 8.210 nan 0.000 0.441 351 R N 1.987 122.207 120.500 -0.467 0.000 2.140 351 R HA -0.194 4.134 4.340 -0.021 0.000 0.250 351 R C -0.600 175.468 176.300 -0.387 0.000 1.150 351 R CA 2.248 58.079 56.100 -0.449 0.000 0.966 351 R CB -1.120 28.969 30.300 -0.351 0.000 0.869 351 R HN 0.184 nan 8.270 nan 0.000 0.445 352 P HA -0.165 nan 4.420 nan 0.000 0.217 352 P C 0.865 178.068 177.300 -0.162 0.000 1.148 352 P CA 1.289 64.265 63.100 -0.206 0.000 0.828 352 P CB -0.025 31.591 31.700 -0.140 0.000 0.783 353 L N -2.812 118.323 121.223 -0.146 0.000 2.109 353 L HA -0.118 4.210 4.340 -0.021 0.000 0.207 353 L C 2.269 179.174 176.870 0.058 0.000 1.086 353 L CA 1.128 55.961 54.840 -0.013 0.000 0.760 353 L CB -0.877 41.245 42.059 0.104 0.000 0.910 353 L HN -0.065 nan 8.230 nan 0.000 0.437 354 F N -0.084 119.742 119.950 -0.207 0.000 2.171 354 F HA -0.179 4.336 4.527 -0.022 0.000 0.300 354 F C 2.634 178.120 175.800 -0.523 0.000 1.090 354 F CA 0.269 58.051 58.000 -0.364 0.000 1.293 354 F CB -1.510 37.204 39.000 -0.477 0.000 1.013 354 F HN 0.146 nan 8.300 nan 0.000 0.486 355 C N -0.191 118.890 119.300 -0.364 0.000 2.409 355 C HA -0.139 4.309 4.460 -0.021 0.000 0.288 355 C C 2.329 177.240 174.990 -0.132 0.000 1.395 355 C CA 0.718 59.548 59.018 -0.313 0.000 1.792 355 C CB -1.314 26.287 27.740 -0.231 0.000 1.847 355 C HN 0.321 nan 8.230 nan 0.000 0.534 356 R N -0.348 120.098 120.500 -0.091 0.000 2.468 356 R HA 0.232 4.560 4.340 -0.021 0.000 0.280 356 R C 1.536 177.803 176.300 -0.054 0.000 0.963 356 R CA 0.637 56.706 56.100 -0.052 0.000 1.083 356 R CB 0.162 30.444 30.300 -0.031 0.000 1.200 356 R HN 0.479 nan 8.270 nan 0.000 0.541 357 G N 1.081 109.838 108.800 -0.071 0.000 2.162 357 G HA2 -0.266 3.682 3.960 -0.021 0.000 0.260 357 G HA3 -0.266 3.682 3.960 -0.021 0.000 0.260 357 G C 0.275 175.120 174.900 -0.092 0.000 0.976 357 G CA 0.168 45.212 45.100 -0.093 0.000 0.655 357 G HN 0.149 nan 8.290 nan 0.000 0.533 358 V N 0.425 120.330 119.914 -0.016 0.000 2.614 358 V HA 0.681 4.789 4.120 -0.021 0.000 0.291 358 V C 1.053 177.097 176.094 -0.083 0.000 1.049 358 V CA 0.954 63.262 62.300 0.013 0.000 1.038 358 V CB 1.143 33.063 31.823 0.162 0.000 0.980 358 V HN 1.321 nan 8.190 nan 0.000 0.481 359 G N 4.587 113.110 108.800 -0.462 0.000 2.488 359 G HA2 0.441 4.388 3.960 -0.021 0.000 0.301 359 G HA3 0.441 4.388 3.960 -0.021 0.000 0.301 359 G C -3.026 170.955 174.900 -1.532 0.000 1.339 359 G CA -0.615 43.834 45.100 -1.085 0.000 0.803 359 G HN 0.425 nan 8.290 nan 0.000 0.482 360 P HA 0.120 nan 4.420 nan 0.000 0.251 360 P C -0.220 176.974 177.300 -0.176 0.000 1.624 360 P CA -0.126 62.618 63.100 -0.594 0.000 0.907 360 P CB -0.669 30.970 31.700 -0.101 0.000 1.867 361 F N 3.368 123.145 119.950 -0.288 0.000 2.572 361 F HA 0.142 4.657 4.527 -0.021 0.000 0.370 361 F C 1.004 176.828 175.800 0.041 0.000 1.103 361 F CA 0.214 58.183 58.000 -0.051 0.000 1.286 361 F CB 0.535 39.554 39.000 0.031 0.000 1.105 361 F HN 0.190 nan 8.300 nan 0.000 0.583 362 R N 4.285 124.552 120.500 -0.390 0.000 2.733 362 R HA 0.562 4.890 4.340 -0.021 0.000 0.272 362 R C -2.313 173.835 176.300 -0.254 0.000 1.029 362 R CA -0.956 54.916 56.100 -0.378 0.000 0.888 362 R CB 1.354 31.500 30.300 -0.257 0.000 1.251 362 R HN 0.809 nan 8.270 nan 0.000 0.464 363 W N -0.817 120.365 121.300 -0.197 0.000 3.118 363 W HA 0.837 5.488 4.660 -0.016 0.000 0.328 363 W C -1.904 174.544 176.519 -0.119 0.000 1.239 363 W CA -0.911 56.332 57.345 -0.170 0.000 1.176 363 W CB 1.337 30.717 29.460 -0.134 0.000 1.433 363 W HN 0.879 nan 8.180 nan 0.000 0.562 364 A N 1.349 124.226 122.820 0.095 0.000 2.435 364 A HA 0.904 5.212 4.320 -0.021 0.000 0.304 364 A C -1.074 176.520 177.584 0.016 0.000 1.064 364 A CA -0.740 51.297 52.037 0.001 0.000 0.727 364 A CB 1.312 20.319 19.000 0.011 0.000 1.284 364 A HN 1.563 nan 8.150 nan 0.000 0.415 365 A N 1.894 124.674 122.820 -0.068 0.000 2.294 365 A HA 0.530 4.838 4.320 -0.021 0.000 0.316 365 A C 0.757 178.301 177.584 -0.066 0.000 1.359 365 A CA -0.480 51.500 52.037 -0.094 0.000 0.956 365 A CB -0.481 18.419 19.000 -0.167 0.000 1.155 365 A HN 0.907 nan 8.150 nan 0.000 0.544 366 L N 2.523 123.728 121.223 -0.030 0.000 2.261 366 L HA -0.209 4.118 4.340 -0.021 0.000 0.216 366 L C 2.803 179.699 176.870 0.044 0.000 1.114 366 L CA 1.614 56.481 54.840 0.045 0.000 0.777 366 L CB -0.440 41.677 42.059 0.097 0.000 0.910 366 L HN 0.899 nan 8.230 nan 0.000 0.440 367 S N -0.208 115.477 115.700 -0.024 0.000 2.382 367 S HA -0.102 4.356 4.470 -0.021 0.000 0.228 367 S C 1.779 176.370 174.600 -0.014 0.000 1.027 367 S CA 1.055 59.250 58.200 -0.007 0.000 0.991 367 S CB -0.323 62.845 63.200 -0.054 0.000 0.823 367 S HN 0.564 nan 8.310 nan 0.000 0.469 368 G N 0.536 109.299 108.800 -0.062 0.000 2.175 368 G HA2 -0.209 3.739 3.960 -0.021 0.000 0.244 368 G HA3 -0.209 3.739 3.960 -0.021 0.000 0.244 368 G C -0.269 174.558 174.900 -0.120 0.000 0.982 368 G CA 0.130 45.183 45.100 -0.078 0.000 0.641 368 G HN 0.619 nan 8.290 nan 0.000 0.527 369 E N 0.334 120.455 120.200 -0.131 0.000 2.200 369 E HA 0.596 4.934 4.350 -0.021 0.000 0.283 369 E C 1.445 177.888 176.600 -0.261 0.000 1.015 369 E CA -0.004 56.312 56.400 -0.141 0.000 0.819 369 E CB 1.322 30.970 29.700 -0.087 0.000 1.081 369 E HN 0.374 nan 8.360 nan 0.000 0.397 370 A N 3.629 126.276 122.820 -0.288 0.000 1.933 370 A HA -0.241 4.066 4.320 -0.021 0.000 0.218 370 A C 1.934 179.103 177.584 -0.692 0.000 1.175 370 A CA 1.599 53.321 52.037 -0.524 0.000 0.628 370 A CB -0.282 18.583 19.000 -0.226 0.000 0.814 370 A HN 0.788 nan 8.150 nan 0.000 0.444 371 E N -0.357 119.663 120.200 -0.301 0.000 2.267 371 E HA -0.221 4.117 4.350 -0.021 0.000 0.197 371 E C 1.051 177.601 176.600 -0.083 0.000 0.998 371 E CA 1.069 57.435 56.400 -0.055 0.000 0.830 371 E CB -0.069 29.681 29.700 0.085 0.000 0.751 371 E HN 0.538 nan 8.360 nan 0.000 0.491 372 D N 0.057 120.355 120.400 -0.170 0.000 2.117 372 D HA -0.129 4.499 4.640 -0.021 0.000 0.198 372 D C 1.759 177.977 176.300 -0.137 0.000 0.982 372 D CA 0.732 54.646 54.000 -0.143 0.000 0.828 372 D CB 0.024 40.725 40.800 -0.166 0.000 0.967 372 D HN 0.221 nan 8.370 nan 0.000 0.464 373 I N 0.583 121.032 120.570 -0.202 0.000 2.315 373 I HA -0.240 3.918 4.170 -0.021 0.000 0.248 373 I C 1.916 178.115 176.117 0.136 0.000 1.117 373 I CA 0.809 62.083 61.300 -0.043 0.000 1.404 373 I CB -0.498 37.423 38.000 -0.131 0.000 1.071 373 I HN 0.017 nan 8.210 nan 0.000 0.419 374 Y N 0.981 121.349 120.300 0.114 0.000 2.165 374 Y HA -0.229 4.306 4.550 -0.025 0.000 0.286 374 Y C 2.403 178.337 175.900 0.057 0.000 1.155 374 Y CA 0.962 59.119 58.100 0.095 0.000 1.164 374 Y CB -1.201 37.305 38.460 0.076 0.000 0.978 374 Y HN 0.185 nan 8.280 nan 0.000 0.513 375 K N -0.501 120.000 120.400 0.169 0.000 2.097 375 K HA -0.129 4.179 4.320 -0.021 0.000 0.205 375 K C 2.090 178.718 176.600 0.046 0.000 1.050 375 K CA 1.873 58.209 56.287 0.080 0.000 0.938 375 K CB -0.411 32.102 32.500 0.021 0.000 0.718 375 K HN 0.480 nan 8.250 nan 0.000 0.442 376 T N -0.436 114.108 114.554 -0.017 0.000 2.904 376 T HA -0.108 4.230 4.350 -0.021 0.000 0.267 376 T C 1.448 176.263 174.700 0.191 0.000 1.059 376 T CA 1.108 63.136 62.100 -0.119 0.000 1.137 376 T CB -0.196 68.280 68.868 -0.654 0.000 0.879 376 T HN 0.003 nan 8.240 nan 0.000 0.467 377 D N 2.178 122.739 120.400 0.269 0.000 2.104 377 D HA -0.014 4.613 4.640 -0.021 0.000 0.194 377 D C 2.477 178.873 176.300 0.160 0.000 0.994 377 D CA 1.601 55.768 54.000 0.278 0.000 0.830 377 D CB -0.632 40.314 40.800 0.243 0.000 0.959 377 D HN 0.568 nan 8.370 nan 0.000 0.452 378 A N 0.737 123.629 122.820 0.120 0.000 1.930 378 A HA -0.186 4.122 4.320 -0.021 0.000 0.217 378 A C 2.075 179.703 177.584 0.072 0.000 1.175 378 A CA 1.865 53.941 52.037 0.065 0.000 0.627 378 A CB -0.346 18.690 19.000 0.061 0.000 0.815 378 A HN 0.085 nan 8.150 nan 0.000 0.443 379 K N 0.153 120.622 120.400 0.115 0.000 2.057 379 K HA -0.069 4.239 4.320 -0.021 0.000 0.207 379 K C 1.678 178.355 176.600 0.129 0.000 1.049 379 K CA 1.917 58.283 56.287 0.132 0.000 0.931 379 K CB -0.879 31.748 32.500 0.211 0.000 0.714 379 K HN 0.181 nan 8.250 nan 0.000 0.440 380 V N 1.511 121.536 119.914 0.184 0.000 2.287 380 V HA -0.299 3.809 4.120 -0.021 0.000 0.248 380 V C 2.195 178.341 176.094 0.085 0.000 1.053 380 V CA 2.298 64.699 62.300 0.168 0.000 1.027 380 V CB -0.480 31.527 31.823 0.306 0.000 0.646 380 V HN 0.376 nan 8.190 nan 0.000 0.447 381 K N -0.287 120.092 120.400 -0.035 0.000 2.103 381 K HA -0.248 4.060 4.320 -0.021 0.000 0.207 381 K C 2.242 178.874 176.600 0.053 0.000 1.048 381 K CA 1.730 57.863 56.287 -0.255 0.000 0.930 381 K CB -0.215 31.968 32.500 -0.528 0.000 0.716 381 K HN 0.571 nan 8.250 nan 0.000 0.444 382 E N 1.137 121.369 120.200 0.055 0.000 2.072 382 E HA -0.161 4.177 4.350 -0.021 0.000 0.191 382 E C 1.849 178.496 176.600 0.079 0.000 0.985 382 E CA 0.864 57.310 56.400 0.076 0.000 0.801 382 E CB 0.097 29.831 29.700 0.056 0.000 0.750 382 E HN 0.264 nan 8.360 nan 0.000 0.452 383 L N 0.356 121.619 121.223 0.066 0.000 2.341 383 L HA 0.083 4.411 4.340 -0.021 0.000 0.214 383 L C 1.094 178.006 176.870 0.069 0.000 1.115 383 L CA 0.405 55.271 54.840 0.042 0.000 0.820 383 L CB 0.223 42.278 42.059 -0.006 0.000 0.944 383 L HN 0.113 nan 8.230 nan 0.000 0.452 384 I N 0.998 121.647 120.570 0.132 0.000 2.905 384 I HA 0.143 4.300 4.170 -0.021 0.000 0.297 384 I C -1.579 174.716 176.117 0.295 0.000 1.358 384 I CA -0.926 60.477 61.300 0.172 0.000 0.975 384 I CB 1.104 39.220 38.000 0.193 0.000 1.857 384 I HN -0.137 nan 8.210 nan 0.000 0.612 385 P HA -0.070 nan 4.420 nan 0.000 0.226 385 P C 0.115 177.414 177.300 -0.002 0.000 1.153 385 P CA 1.202 64.413 63.100 0.185 0.000 0.777 385 P CB 0.320 32.091 31.700 0.119 0.000 0.794 386 D N 0.126 120.527 120.400 0.001 0.000 2.755 386 D HA 0.112 4.740 4.640 -0.021 0.000 0.257 386 D C -0.229 176.046 176.300 -0.042 0.000 1.291 386 D CA 0.138 54.111 54.000 -0.046 0.000 0.836 386 D CB 0.083 40.879 40.800 -0.008 0.000 1.059 386 D HN 0.096 nan 8.370 nan 0.000 0.486 387 D N 0.591 120.944 120.400 -0.078 0.000 2.400 387 D HA 0.275 4.903 4.640 -0.021 0.000 0.272 387 D C 1.123 177.411 176.300 -0.020 0.000 1.220 387 D CA -0.607 53.407 54.000 0.024 0.000 0.897 387 D CB 0.917 41.805 40.800 0.146 0.000 1.134 387 D HN -0.011 nan 8.370 nan 0.000 0.507 388 A N 2.305 125.090 122.820 -0.058 0.000 1.940 388 A HA -0.252 4.055 4.320 -0.021 0.000 0.219 388 A C 1.889 179.555 177.584 0.136 0.000 1.176 388 A CA 1.817 53.836 52.037 -0.029 0.000 0.631 388 A CB -0.685 18.314 19.000 -0.002 0.000 0.814 388 A HN 0.706 nan 8.150 nan 0.000 0.446 389 H N -0.726 118.407 119.070 0.104 0.000 2.353 389 H HA -0.087 4.458 4.556 -0.019 0.000 0.300 389 H C 1.892 177.376 175.328 0.259 0.000 1.090 389 H CA 1.675 57.824 56.048 0.170 0.000 1.327 389 H CB -0.090 29.754 29.762 0.137 0.000 1.383 389 H HN 0.290 nan 8.280 nan 0.000 0.508 390 L N 0.593 122.021 121.223 0.342 0.000 1.989 390 L HA -0.226 4.102 4.340 -0.021 0.000 0.211 390 L C 1.892 178.997 176.870 0.391 0.000 1.071 390 L CA 2.209 57.277 54.840 0.381 0.000 0.749 390 L CB -1.250 41.049 42.059 0.400 0.000 0.890 390 L HN 0.567 nan 8.230 nan 0.000 0.431 391 H N -0.691 118.473 119.070 0.157 0.000 2.319 391 H HA -0.218 4.326 4.556 -0.021 0.000 0.299 391 H C 2.313 177.674 175.328 0.055 0.000 1.092 391 H CA 1.513 57.626 56.048 0.109 0.000 1.302 391 H CB 0.122 29.933 29.762 0.082 0.000 1.373 391 H HN 0.313 nan 8.280 nan 0.000 0.497 392 R N 0.755 121.360 120.500 0.176 0.000 2.127 392 R HA -0.171 4.157 4.340 -0.021 0.000 0.238 392 R C 2.368 178.651 176.300 -0.029 0.000 1.134 392 R CA 1.353 57.481 56.100 0.047 0.000 0.975 392 R CB -0.301 30.018 30.300 0.033 0.000 0.865 392 R HN 0.518 nan 8.270 nan 0.000 0.447 393 W N 1.052 122.273 121.300 -0.133 0.000 2.379 393 W HA -0.175 4.475 4.660 -0.016 0.000 0.307 393 W C 1.338 177.791 176.519 -0.110 0.000 1.200 393 W CA 0.975 58.205 57.345 -0.192 0.000 1.297 393 W CB -0.238 29.132 29.460 -0.150 0.000 1.140 393 W HN 0.136 nan 8.180 nan 0.000 0.507 394 L N 0.671 121.822 121.223 -0.120 0.000 2.046 394 L HA -0.252 4.076 4.340 -0.021 0.000 0.208 394 L C 2.264 178.985 176.870 -0.247 0.000 1.077 394 L CA 1.627 56.373 54.840 -0.157 0.000 0.747 394 L CB -1.027 41.051 42.059 0.031 0.000 0.896 394 L HN -0.134 nan 8.230 nan 0.000 0.432 395 D N -0.083 120.201 120.400 -0.195 0.000 2.117 395 D HA -0.171 4.457 4.640 -0.021 0.000 0.198 395 D C 2.347 178.473 176.300 -0.292 0.000 0.982 395 D CA 1.355 55.239 54.000 -0.192 0.000 0.828 395 D CB -0.103 40.626 40.800 -0.117 0.000 0.967 395 D HN 0.323 nan 8.370 nan 0.000 0.464 396 M N 0.478 119.840 119.600 -0.398 0.000 2.175 396 M HA -0.076 4.392 4.480 -0.021 0.000 0.264 396 M C 2.313 178.252 176.300 -0.601 0.000 1.063 396 M CA 1.076 56.088 55.300 -0.480 0.000 1.119 396 M CB -0.149 32.113 32.600 -0.562 0.000 1.377 396 M HN -0.041 nan 8.290 nan 0.000 0.415 397 A N 0.575 122.926 122.820 -0.781 0.000 1.873 397 A HA -0.186 4.122 4.320 -0.021 0.000 0.215 397 A C 2.130 179.455 177.584 -0.431 0.000 1.186 397 A CA 1.870 53.498 52.037 -0.680 0.000 0.616 397 A CB -0.586 18.002 19.000 -0.688 0.000 0.823 397 A HN 0.367 nan 8.150 nan 0.000 0.442 398 R N 0.398 120.698 120.500 -0.332 0.000 2.105 398 R HA -0.124 4.203 4.340 -0.021 0.000 0.239 398 R C 1.849 177.981 176.300 -0.281 0.000 1.135 398 R CA 2.254 58.202 56.100 -0.254 0.000 0.967 398 R CB -0.598 29.573 30.300 -0.216 0.000 0.861 398 R HN 0.695 nan 8.270 nan 0.000 0.442 399 E N -0.798 119.231 120.200 -0.285 0.000 2.028 399 E HA -0.052 4.286 4.350 -0.021 0.000 0.190 399 E C 1.700 178.143 176.600 -0.261 0.000 0.984 399 E CA 0.895 57.145 56.400 -0.250 0.000 0.800 399 E CB 0.127 29.690 29.700 -0.229 0.000 0.758 399 E HN 0.151 nan 8.360 nan 0.000 0.448 400 R N -0.141 120.170 120.500 -0.315 0.000 2.335 400 R HA 0.191 4.519 4.340 -0.021 0.000 0.210 400 R C 0.143 176.212 176.300 -0.385 0.000 0.892 400 R CA 0.040 55.948 56.100 -0.320 0.000 1.048 400 R CB 0.787 30.901 30.300 -0.311 0.000 1.067 400 R HN 0.106 nan 8.270 nan 0.000 0.524 401 I N 1.766 122.091 120.570 -0.408 0.000 2.297 401 I HA 0.135 4.292 4.170 -0.021 0.000 0.291 401 I C 0.544 176.432 176.117 -0.381 0.000 1.033 401 I CA -0.495 60.565 61.300 -0.401 0.000 1.253 401 I CB 0.985 38.788 38.000 -0.329 0.000 1.396 401 I HN -0.136 nan 8.210 nan 0.000 0.476 402 S N 6.484 122.016 115.700 -0.281 0.000 2.545 402 S HA 0.445 4.903 4.470 -0.021 0.000 0.275 402 S C -0.180 174.380 174.600 -0.066 0.000 1.299 402 S CA -0.398 57.687 58.200 -0.192 0.000 1.048 402 S CB 0.296 63.459 63.200 -0.061 0.000 0.938 402 S HN 0.204 nan 8.310 nan 0.000 0.496 403 F N 2.948 122.912 119.950 0.023 0.000 2.506 403 F HA 0.282 4.802 4.527 -0.011 0.000 0.351 403 F C 1.145 176.976 175.800 0.052 0.000 1.136 403 F CA 0.044 58.055 58.000 0.017 0.000 1.298 403 F CB 0.440 39.430 39.000 -0.017 0.000 1.145 403 F HN 0.527 nan 8.300 nan 0.000 0.593 404 Q N 1.059 121.025 119.800 0.278 0.000 2.310 404 Q HA 0.503 4.830 4.340 -0.021 0.000 0.270 404 Q C 0.479 176.559 176.000 0.132 0.000 1.025 404 Q CA -0.192 55.725 55.803 0.190 0.000 0.772 404 Q CB 2.094 30.930 28.738 0.162 0.000 1.253 404 Q HN 0.937 nan 8.270 nan 0.000 0.450 405 G N 1.973 110.846 108.800 0.123 0.000 2.574 405 G HA2 -0.321 3.627 3.960 -0.021 0.000 0.286 405 G HA3 -0.321 3.627 3.960 -0.021 0.000 0.286 405 G C -0.300 174.619 174.900 0.031 0.000 1.212 405 G CA -0.548 44.604 45.100 0.087 0.000 0.979 405 G HN 0.536 nan 8.290 nan 0.000 0.557 406 L N 2.487 123.713 121.223 0.005 0.000 2.455 406 L HA 0.291 4.619 4.340 -0.021 0.000 0.272 406 L C -1.734 175.020 176.870 -0.194 0.000 1.174 406 L CA -1.328 53.470 54.840 -0.070 0.000 0.869 406 L CB 0.608 42.650 42.059 -0.027 0.000 1.130 406 L HN 0.259 nan 8.230 nan 0.000 0.474 407 P HA 0.045 nan 4.420 nan 0.000 0.261 407 P C -0.783 176.158 177.300 -0.598 0.000 1.183 407 P CA 0.372 62.893 63.100 -0.964 0.000 0.761 407 P CB 0.758 31.717 31.700 -1.235 0.000 0.785 408 A N 3.450 126.012 122.820 -0.430 0.000 2.532 408 A HA 0.898 5.206 4.320 -0.021 0.000 0.290 408 A C -0.909 176.580 177.584 -0.158 0.000 1.143 408 A CA -0.585 51.306 52.037 -0.242 0.000 0.728 408 A CB 1.786 20.696 19.000 -0.149 0.000 1.317 408 A HN 0.402 nan 8.150 nan 0.000 0.414 409 R N -0.140 120.087 120.500 -0.455 0.000 2.564 409 R HA 0.626 4.953 4.340 -0.021 0.000 0.284 409 R C -2.015 173.932 176.300 -0.588 0.000 1.031 409 R CA -0.421 55.383 56.100 -0.493 0.000 0.904 409 R CB 1.205 31.083 30.300 -0.703 0.000 1.199 409 R HN 0.811 nan 8.270 nan 0.000 0.443 410 I N 3.680 124.154 120.570 -0.160 0.000 2.392 410 I HA 0.561 4.719 4.170 -0.021 0.000 0.295 410 I C -1.259 174.968 176.117 0.184 0.000 0.985 410 I CA -0.587 60.718 61.300 0.009 0.000 1.221 410 I CB 1.408 39.526 38.000 0.196 0.000 1.366 410 I HN 0.717 nan 8.210 nan 0.000 0.467 411 C N 8.201 127.637 119.300 0.227 0.000 2.982 411 C HA 0.368 4.815 4.460 -0.021 0.000 0.372 411 C C -1.459 173.822 174.990 0.485 0.000 1.061 411 C CA -0.671 58.592 59.018 0.409 0.000 1.309 411 C CB -0.458 27.597 27.740 0.526 0.000 1.766 411 C HN 0.759 nan 8.230 nan 0.000 0.504 412 W N 5.892 127.239 121.300 0.079 0.000 2.605 412 W HA 0.485 5.133 4.660 -0.020 0.000 0.327 412 W C 0.451 177.038 176.519 0.113 0.000 1.332 412 W CA 0.178 57.578 57.345 0.092 0.000 1.403 412 W CB 0.570 30.026 29.460 -0.006 0.000 1.452 412 W HN 0.681 nan 8.180 nan 0.000 0.503 413 V N 1.947 121.965 119.914 0.173 0.000 3.114 413 V HA 1.047 5.154 4.120 -0.021 0.000 0.308 413 V C -0.097 175.929 176.094 -0.113 0.000 1.168 413 V CA -0.828 61.496 62.300 0.041 0.000 1.015 413 V CB 1.444 33.261 31.823 -0.010 0.000 1.050 413 V HN 0.510 nan 8.190 nan 0.000 0.433 414 G N 0.477 109.210 108.800 -0.111 0.000 3.211 414 G HA2 0.552 4.499 3.960 -0.021 0.000 0.167 414 G HA3 0.552 4.499 3.960 -0.021 0.000 0.167 414 G C -0.564 174.237 174.900 -0.165 0.000 1.212 414 G CA -1.238 43.778 45.100 -0.141 0.000 0.928 414 G HN 0.945 nan 8.290 nan 0.000 0.607 415 L N 1.178 122.330 121.223 -0.119 0.000 2.601 415 L HA 0.259 4.587 4.340 -0.021 0.000 0.277 415 L C 1.587 178.398 176.870 -0.098 0.000 1.219 415 L CA 1.996 56.773 54.840 -0.105 0.000 0.915 415 L CB 0.229 42.246 42.059 -0.071 0.000 1.160 415 L HN 1.197 nan 8.230 nan 0.000 0.494 416 G N 3.035 111.770 108.800 -0.109 0.000 3.211 416 G HA2 -0.318 3.629 3.960 -0.021 0.000 0.206 416 G HA3 -0.318 3.629 3.960 -0.021 0.000 0.206 416 G C 0.757 175.584 174.900 -0.122 0.000 1.418 416 G CA 0.261 45.304 45.100 -0.094 0.000 0.958 416 G HN 0.516 nan 8.290 nan 0.000 0.567 417 L N 1.021 122.161 121.223 -0.138 0.000 2.141 417 L HA 0.060 4.388 4.340 -0.021 0.000 0.209 417 L C 3.139 179.848 176.870 -0.268 0.000 1.094 417 L CA 1.587 56.331 54.840 -0.159 0.000 0.763 417 L CB -0.473 41.519 42.059 -0.112 0.000 0.908 417 L HN 0.305 nan 8.230 nan 0.000 0.437 418 R N 0.263 120.521 120.500 -0.404 0.000 2.096 418 R HA -0.190 4.138 4.340 -0.021 0.000 0.240 418 R C 2.376 178.493 176.300 -0.305 0.000 1.139 418 R CA 1.623 57.327 56.100 -0.660 0.000 0.952 418 R CB -0.550 29.297 30.300 -0.756 0.000 0.854 418 R HN 0.360 nan 8.270 nan 0.000 0.436 419 A N 1.090 123.790 122.820 -0.200 0.000 2.014 419 A HA -0.146 4.162 4.320 -0.021 0.000 0.218 419 A C 2.040 179.536 177.584 -0.147 0.000 1.163 419 A CA 1.097 53.059 52.037 -0.125 0.000 0.652 419 A CB -0.256 18.689 19.000 -0.092 0.000 0.808 419 A HN 0.212 nan 8.150 nan 0.000 0.449 420 K N -0.740 119.558 120.400 -0.170 0.000 2.025 420 K HA -0.085 4.223 4.320 -0.021 0.000 0.207 420 K C 1.715 178.153 176.600 -0.270 0.000 1.049 420 K CA 1.176 57.361 56.287 -0.170 0.000 0.933 420 K CB -0.225 32.193 32.500 -0.136 0.000 0.714 420 K HN 0.314 nan 8.250 nan 0.000 0.438 421 L N 0.462 121.469 121.223 -0.361 0.000 2.027 421 L HA -0.058 4.270 4.340 -0.021 0.000 0.206 421 L C 2.445 178.743 176.870 -0.953 0.000 1.074 421 L CA 2.088 56.491 54.840 -0.728 0.000 0.745 421 L CB -1.071 40.648 42.059 -0.567 0.000 0.898 421 L HN 0.346 nan 8.230 nan 0.000 0.433 422 G N -1.032 107.517 108.800 -0.417 0.000 2.422 422 G HA2 -0.206 3.741 3.960 -0.021 0.000 0.218 422 G HA3 -0.206 3.741 3.960 -0.021 0.000 0.218 422 G C 1.670 176.464 174.900 -0.176 0.000 1.146 422 G CA 0.749 45.718 45.100 -0.218 0.000 0.769 422 G HN 0.322 nan 8.290 nan 0.000 0.547 423 L N 0.453 121.574 121.223 -0.170 0.000 2.109 423 L HA 0.027 4.355 4.340 -0.021 0.000 0.207 423 L C 3.392 180.198 176.870 -0.106 0.000 1.086 423 L CA 0.828 55.605 54.840 -0.104 0.000 0.760 423 L CB -0.348 41.660 42.059 -0.086 0.000 0.910 423 L HN 0.306 nan 8.230 nan 0.000 0.437 424 A N 0.190 122.897 122.820 -0.189 0.000 1.877 424 A HA -0.206 4.101 4.320 -0.021 0.000 0.216 424 A C 2.013 179.610 177.584 0.022 0.000 1.186 424 A CA 1.457 53.422 52.037 -0.120 0.000 0.620 424 A CB -0.716 18.168 19.000 -0.193 0.000 0.822 424 A HN 0.281 nan 8.150 nan 0.000 0.443 425 F N 0.417 120.281 119.950 -0.143 0.000 2.171 425 F HA -0.146 4.369 4.527 -0.020 0.000 0.300 425 F C 2.167 177.890 175.800 -0.128 0.000 1.090 425 F CA 1.082 58.976 58.000 -0.176 0.000 1.293 425 F CB -1.445 37.392 39.000 -0.273 0.000 1.013 425 F HN 0.343 nan 8.300 nan 0.000 0.486 426 N N 0.267 119.018 118.700 0.085 0.000 2.120 426 N HA -0.192 4.536 4.740 -0.021 0.000 0.188 426 N C 1.833 177.348 175.510 0.008 0.000 1.024 426 N CA 1.198 54.262 53.050 0.023 0.000 0.852 426 N CB -0.190 38.300 38.487 0.005 0.000 1.003 426 N HN 0.043 nan 8.380 nan 0.000 0.424 427 E N -0.171 120.035 120.200 0.011 0.000 2.268 427 E HA -0.071 4.266 4.350 -0.021 0.000 0.195 427 E C 1.642 178.246 176.600 0.008 0.000 0.995 427 E CA 0.583 56.986 56.400 0.005 0.000 0.836 427 E CB -0.040 29.660 29.700 0.001 0.000 0.763 427 E HN 0.531 nan 8.360 nan 0.000 0.491 428 M N -0.795 118.818 119.600 0.021 0.000 2.349 428 M HA -0.087 4.381 4.480 -0.021 0.000 0.266 428 M C 2.130 178.413 176.300 -0.027 0.000 1.076 428 M CA 0.481 55.784 55.300 0.006 0.000 1.126 428 M CB 0.270 32.881 32.600 0.018 0.000 1.392 428 M HN -0.075 nan 8.290 nan 0.000 0.440 429 V N 0.021 119.910 119.914 -0.041 0.000 2.379 429 V HA -0.205 3.903 4.120 -0.021 0.000 0.245 429 V C 2.362 178.421 176.094 -0.059 0.000 1.044 429 V CA 1.629 63.880 62.300 -0.082 0.000 1.036 429 V CB -0.745 31.009 31.823 -0.116 0.000 0.664 429 V HN 0.461 nan 8.190 nan 0.000 0.453 430 R N 0.974 121.454 120.500 -0.034 0.000 2.073 430 R HA -0.173 4.155 4.340 -0.021 0.000 0.234 430 R C 2.456 178.750 176.300 -0.009 0.000 1.134 430 R CA 2.064 58.154 56.100 -0.017 0.000 0.952 430 R CB -0.347 29.949 30.300 -0.006 0.000 0.850 430 R HN 0.642 nan 8.270 nan 0.000 0.433 431 S N -1.475 114.220 115.700 -0.008 0.000 2.522 431 S HA 0.088 4.545 4.470 -0.021 0.000 0.227 431 S C 1.341 175.938 174.600 -0.005 0.000 0.986 431 S CA 0.744 58.943 58.200 -0.003 0.000 0.929 431 S CB 0.433 63.633 63.200 0.001 0.000 0.769 431 S HN 0.643 nan 8.310 nan 0.000 0.529 432 G N 1.039 109.830 108.800 -0.015 0.000 2.175 432 G HA2 -0.307 3.641 3.960 -0.021 0.000 0.244 432 G HA3 -0.307 3.641 3.960 -0.021 0.000 0.244 432 G C 0.546 175.435 174.900 -0.019 0.000 0.982 432 G CA 0.440 45.530 45.100 -0.017 0.000 0.641 432 G HN 0.535 nan 8.290 nan 0.000 0.527 433 E N -0.534 119.655 120.200 -0.017 0.000 2.153 433 E HA 0.035 4.373 4.350 -0.021 0.000 0.194 433 E C 0.948 177.529 176.600 -0.033 0.000 0.988 433 E CA 0.505 56.896 56.400 -0.015 0.000 0.811 433 E CB -0.051 29.645 29.700 -0.007 0.000 0.746 433 E HN 0.582 nan 8.360 nan 0.000 0.466 434 L N 0.521 121.711 121.223 -0.055 0.000 2.295 434 L HA 0.145 4.473 4.340 -0.021 0.000 0.285 434 L C 1.301 178.119 176.870 -0.087 0.000 1.035 434 L CA -0.600 54.188 54.840 -0.087 0.000 0.806 434 L CB 1.887 43.870 42.059 -0.127 0.000 1.214 434 L HN -0.004 nan 8.230 nan 0.000 0.426 435 S N 2.064 117.716 115.700 -0.080 0.000 2.369 435 S HA -0.129 4.328 4.470 -0.021 0.000 0.225 435 S C 0.616 175.159 174.600 -0.095 0.000 1.043 435 S CA 1.754 59.917 58.200 -0.063 0.000 1.074 435 S CB -0.050 63.121 63.200 -0.049 0.000 0.962 435 S HN 0.781 nan 8.310 nan 0.000 0.433 436 A N 0.455 123.177 122.820 -0.163 0.000 2.486 436 A HA 0.752 5.060 4.320 -0.021 0.000 0.289 436 A C -3.017 174.314 177.584 -0.422 0.000 1.176 436 A CA -1.942 49.900 52.037 -0.326 0.000 0.757 436 A CB 0.310 19.137 19.000 -0.288 0.000 1.337 436 A HN 0.076 nan 8.150 nan 0.000 0.423 437 P HA 0.335 nan 4.420 nan 0.000 0.270 437 P C -0.595 176.534 177.300 -0.286 0.000 1.223 437 P CA -0.005 62.793 63.100 -0.504 0.000 0.785 437 P CB 0.626 31.902 31.700 -0.707 0.000 0.923 438 V N -0.264 119.556 119.914 -0.157 0.000 2.864 438 V HA 0.734 4.842 4.120 -0.021 0.000 0.314 438 V C -0.244 175.855 176.094 0.008 0.000 1.073 438 V CA -1.147 61.114 62.300 -0.065 0.000 0.956 438 V CB 1.838 33.610 31.823 -0.085 0.000 1.023 438 V HN 0.386 nan 8.190 nan 0.000 0.435 439 V N 1.591 121.541 119.914 0.061 0.000 2.532 439 V HA 0.772 4.880 4.120 -0.021 0.000 0.295 439 V C -0.441 175.679 176.094 0.043 0.000 1.041 439 V CA -0.503 61.828 62.300 0.051 0.000 0.926 439 V CB 1.166 33.045 31.823 0.093 0.000 0.992 439 V HN 0.747 nan 8.190 nan 0.000 0.457 440 I N 4.513 125.069 120.570 -0.022 0.000 2.362 440 I HA 0.898 5.055 4.170 -0.021 0.000 0.289 440 I C 0.724 176.746 176.117 -0.158 0.000 0.994 440 I CA 0.531 61.793 61.300 -0.063 0.000 1.158 440 I CB 1.177 39.158 38.000 -0.031 0.000 1.315 440 I HN 1.058 nan 8.210 nan 0.000 0.451 441 G N 5.525 114.209 108.800 -0.193 0.000 3.107 441 G HA2 0.913 4.861 3.960 -0.021 0.000 0.233 441 G HA3 0.913 4.861 3.960 -0.021 0.000 0.233 441 G C -1.021 173.804 174.900 -0.125 0.000 1.168 441 G CA -0.649 44.352 45.100 -0.165 0.000 0.801 441 G HN 0.618 nan 8.290 nan 0.000 0.605 442 R N -1.189 119.274 120.500 -0.061 0.000 2.993 442 R HA 0.396 4.723 4.340 -0.021 0.000 0.288 442 R C -1.996 174.325 176.300 0.034 0.000 0.982 442 R CA -0.770 55.315 56.100 -0.025 0.000 0.832 442 R CB 0.547 30.842 30.300 -0.008 0.000 1.340 442 R HN 0.528 nan 8.270 nan 0.000 0.516 443 D N -0.697 119.724 120.400 0.035 0.000 2.411 443 D HA 0.213 4.841 4.640 -0.021 0.000 0.251 443 D C 0.408 176.806 176.300 0.163 0.000 1.201 443 D CA -0.370 53.685 54.000 0.091 0.000 0.996 443 D CB 0.688 41.519 40.800 0.052 0.000 1.101 443 D HN 0.626 nan 8.370 nan 0.000 0.504 444 H N -0.217 118.819 119.070 -0.055 0.000 2.548 444 H HA 0.106 4.650 4.556 -0.020 0.000 0.268 444 H C 0.401 175.674 175.328 -0.092 0.000 0.975 444 H CA -0.297 55.709 56.048 -0.069 0.000 1.195 444 H CB 0.494 30.221 29.762 -0.060 0.000 1.397 444 H HN 0.118 nan 8.280 nan 0.000 0.572 445 L N 2.274 123.524 121.223 0.045 0.000 2.342 445 L HA 0.169 4.497 4.340 -0.021 0.000 0.285 445 L C -0.987 175.812 176.870 -0.118 0.000 1.095 445 L CA 0.014 54.870 54.840 0.026 0.000 0.843 445 L CB 0.264 42.420 42.059 0.161 0.000 1.201 445 L HN 0.081 nan 8.230 nan 0.000 0.445 446 D N 1.070 121.253 120.400 -0.362 0.000 2.710 446 D HA 0.175 4.802 4.640 -0.021 0.000 0.276 446 D C 0.726 176.491 176.300 -0.891 0.000 1.267 446 D CA 0.290 53.922 54.000 -0.614 0.000 0.772 446 D CB 1.560 42.168 40.800 -0.320 0.000 1.299 446 D HN 0.436 nan 8.370 nan 0.000 0.421 447 S N -0.278 114.905 115.700 -0.862 0.000 2.365 447 S HA -0.047 4.411 4.470 -0.021 0.000 0.225 447 S C 1.594 176.065 174.600 -0.216 0.000 1.039 447 S CA 1.361 59.217 58.200 -0.572 0.000 1.033 447 S CB -0.373 62.644 63.200 -0.306 0.000 0.887 447 S HN 0.568 nan 8.310 nan 0.000 0.447 448 G N 0.255 108.949 108.800 -0.177 0.000 3.774 448 G HA2 0.408 4.356 3.960 -0.021 0.000 0.287 448 G HA3 0.408 4.356 3.960 -0.021 0.000 0.287 448 G C 0.568 175.443 174.900 -0.041 0.000 1.030 448 G CA 0.262 45.308 45.100 -0.091 0.000 0.824 448 G HN 0.690 nan 8.290 nan 0.000 0.518 449 S N -1.164 114.488 115.700 -0.080 0.000 2.650 449 S HA 0.519 4.977 4.470 -0.021 0.000 0.240 449 S C -0.168 174.458 174.600 0.042 0.000 1.007 449 S CA -0.403 57.777 58.200 -0.034 0.000 0.984 449 S CB 1.004 64.149 63.200 -0.092 0.000 0.910 449 S HN 0.502 nan 8.310 nan 0.000 0.509 450 V N 0.547 120.491 119.914 0.050 0.000 3.000 450 V HA 0.695 4.803 4.120 -0.021 0.000 0.300 450 V C -1.787 174.380 176.094 0.121 0.000 1.251 450 V CA -0.257 62.125 62.300 0.136 0.000 0.972 450 V CB 2.167 34.068 31.823 0.130 0.000 1.065 450 V HN 0.305 nan 8.190 nan 0.000 0.431 451 S N 3.753 119.554 115.700 0.168 0.000 2.605 451 S HA 0.756 5.213 4.470 -0.021 0.000 0.308 451 S C -0.661 174.044 174.600 0.174 0.000 1.113 451 S CA -0.403 57.888 58.200 0.152 0.000 1.049 451 S CB 1.499 64.796 63.200 0.162 0.000 1.001 451 S HN 1.048 nan 8.310 nan 0.000 0.480 452 S N 3.586 119.380 115.700 0.157 0.000 2.357 452 S HA 0.373 4.830 4.470 -0.021 0.000 0.209 452 S C -2.557 172.138 174.600 0.158 0.000 0.981 452 S CA -1.007 57.303 58.200 0.184 0.000 1.106 452 S CB 0.643 63.960 63.200 0.194 0.000 1.266 452 S HN 0.272 nan 8.310 nan 0.000 0.410 453 P HA -0.072 nan 4.420 nan 0.000 0.218 453 P C 0.682 178.063 177.300 0.134 0.000 1.146 453 P CA 1.132 64.305 63.100 0.121 0.000 0.820 453 P CB 0.100 31.865 31.700 0.108 0.000 0.778 454 N N -2.230 116.586 118.700 0.194 0.000 2.270 454 N HA 0.225 4.952 4.740 -0.021 0.000 0.198 454 N C 0.712 176.329 175.510 0.179 0.000 1.117 454 N CA 0.321 53.506 53.050 0.225 0.000 0.845 454 N CB 0.449 39.082 38.487 0.243 0.000 0.980 454 N HN 0.107 nan 8.380 nan 0.000 0.486 455 A N 0.466 123.366 122.820 0.134 0.000 2.363 455 A HA 0.298 4.605 4.320 -0.021 0.000 0.180 455 A C 0.900 178.471 177.584 -0.022 0.000 1.219 455 A CA -0.093 51.992 52.037 0.081 0.000 1.864 455 A CB -0.038 19.056 19.000 0.157 0.000 2.313 455 A HN -0.021 nan 8.150 nan 0.000 0.894 456 E N 0.861 121.082 120.200 0.034 0.000 2.171 456 E HA -0.126 4.211 4.350 -0.021 0.000 0.197 456 E C 1.146 177.808 176.600 0.102 0.000 0.997 456 E CA 2.028 58.481 56.400 0.089 0.000 0.810 456 E CB -0.291 29.519 29.700 0.183 0.000 0.738 456 E HN 0.664 nan 8.360 nan 0.000 0.467 457 T N -2.071 112.531 114.554 0.080 0.000 3.269 457 T HA 0.185 4.522 4.350 -0.021 0.000 0.269 457 T C 0.091 174.825 174.700 0.056 0.000 0.993 457 T CA -0.520 61.618 62.100 0.064 0.000 0.909 457 T CB 0.013 68.914 68.868 0.055 0.000 1.115 457 T HN -0.001 nan 8.240 nan 0.000 0.543 458 E N 1.548 121.773 120.200 0.042 0.000 2.344 458 E HA 0.416 4.754 4.350 -0.021 0.000 0.270 458 E C 0.608 177.228 176.600 0.035 0.000 1.021 458 E CA 0.199 56.625 56.400 0.043 0.000 0.887 458 E CB 0.233 29.961 29.700 0.047 0.000 0.997 458 E HN 0.561 nan 8.360 nan 0.000 0.429 459 A N 5.054 127.895 122.820 0.035 0.000 2.739 459 A HA -0.178 4.129 4.320 -0.021 0.000 0.296 459 A C 0.252 177.883 177.584 0.078 0.000 1.488 459 A CA 0.638 52.698 52.037 0.039 0.000 0.746 459 A CB -1.442 17.576 19.000 0.031 0.000 1.047 459 A HN 0.572 nan 8.150 nan 0.000 0.477 460 M N -0.165 119.487 119.600 0.087 0.000 2.249 460 M HA 0.047 4.515 4.480 -0.021 0.000 0.340 460 M C 1.845 178.201 176.300 0.094 0.000 1.166 460 M CA 0.794 56.185 55.300 0.151 0.000 1.115 460 M CB 0.008 32.662 32.600 0.090 0.000 1.606 460 M HN 0.682 nan 8.290 nan 0.000 0.448 461 R N 1.513 122.053 120.500 0.067 0.000 2.200 461 R HA -0.155 4.172 4.340 -0.021 0.000 0.234 461 R C 0.464 176.704 176.300 -0.100 0.000 1.127 461 R CA 1.843 57.888 56.100 -0.091 0.000 0.989 461 R CB -0.412 29.692 30.300 -0.328 0.000 0.869 461 R HN 0.670 nan 8.270 nan 0.000 0.459 462 D N -0.910 119.440 120.400 -0.084 0.000 2.369 462 D HA 0.120 4.748 4.640 -0.021 0.000 0.211 462 D C 1.016 177.305 176.300 -0.018 0.000 1.077 462 D CA 0.342 54.308 54.000 -0.056 0.000 0.842 462 D CB 0.400 41.166 40.800 -0.057 0.000 0.947 462 D HN 0.368 nan 8.370 nan 0.000 0.509 463 G N 0.875 109.672 108.800 -0.005 0.000 2.136 463 G HA2 -0.324 3.623 3.960 -0.021 0.000 0.242 463 G HA3 -0.324 3.623 3.960 -0.021 0.000 0.242 463 G C 0.837 175.749 174.900 0.020 0.000 0.989 463 G CA 0.622 45.724 45.100 0.004 0.000 0.682 463 G HN 0.695 nan 8.290 nan 0.000 0.522 464 S N -0.223 115.498 115.700 0.035 0.000 2.710 464 S HA 0.216 4.674 4.470 -0.021 0.000 0.224 464 S C 1.483 176.128 174.600 0.075 0.000 0.948 464 S CA 0.858 59.099 58.200 0.067 0.000 0.949 464 S CB 0.173 63.435 63.200 0.103 0.000 0.778 464 S HN 0.302 nan 8.310 nan 0.000 0.498 465 D N 3.657 124.089 120.400 0.052 0.000 2.303 465 D HA -0.220 4.407 4.640 -0.021 0.000 0.190 465 D C 1.954 178.299 176.300 0.076 0.000 1.011 465 D CA 2.215 56.249 54.000 0.056 0.000 0.860 465 D CB -0.756 40.068 40.800 0.039 0.000 0.961 465 D HN 0.659 nan 8.370 nan 0.000 0.453 466 A N 0.263 123.121 122.820 0.063 0.000 2.239 466 A HA 0.099 4.407 4.320 -0.021 0.000 0.209 466 A C 0.775 178.404 177.584 0.075 0.000 1.171 466 A CA 0.018 52.092 52.037 0.062 0.000 0.768 466 A CB -0.065 18.953 19.000 0.030 0.000 0.790 466 A HN 0.108 nan 8.150 nan 0.000 0.478 467 V N 2.222 122.202 119.914 0.109 0.000 2.425 467 V HA 0.051 4.158 4.120 -0.021 0.000 0.276 467 V C 1.256 177.447 176.094 0.162 0.000 1.017 467 V CA 0.933 63.305 62.300 0.121 0.000 1.062 467 V CB 0.487 32.428 31.823 0.196 0.000 0.997 467 V HN 0.598 nan 8.190 nan 0.000 0.476 468 S N 1.186 116.927 115.700 0.067 0.000 2.572 468 S HA 0.069 4.527 4.470 -0.021 0.000 0.228 468 S C 0.925 175.523 174.600 -0.004 0.000 0.963 468 S CA -0.407 57.837 58.200 0.073 0.000 0.939 468 S CB 0.019 63.250 63.200 0.051 0.000 0.804 468 S HN 0.714 nan 8.310 nan 0.000 0.480 469 D N 2.116 122.430 120.400 -0.143 0.000 2.117 469 D HA -0.095 4.533 4.640 -0.021 0.000 0.197 469 D C 1.173 177.330 176.300 -0.237 0.000 0.987 469 D CA 1.091 54.924 54.000 -0.279 0.000 0.829 469 D CB -0.301 40.187 40.800 -0.520 0.000 0.961 469 D HN 0.585 nan 8.370 nan 0.000 0.460 470 W N 1.807 123.091 121.300 -0.027 0.000 2.301 470 W HA -0.169 4.479 4.660 -0.020 0.000 0.325 470 W C -0.305 176.194 176.519 -0.034 0.000 1.250 470 W CA 1.028 58.353 57.345 -0.033 0.000 1.261 470 W CB -1.961 27.473 29.460 -0.044 0.000 1.157 470 W HN 0.179 nan 8.180 nan 0.000 0.473 471 P HA -0.158 nan 4.420 nan 0.000 0.218 471 P C 1.522 178.842 177.300 0.033 0.000 1.149 471 P CA 1.685 64.842 63.100 0.095 0.000 0.817 471 P CB -0.317 31.440 31.700 0.094 0.000 0.785 472 L N -1.138 120.092 121.223 0.012 0.000 2.093 472 L HA -0.114 4.213 4.340 -0.021 0.000 0.208 472 L C 2.822 179.678 176.870 -0.023 0.000 1.085 472 L CA 1.160 55.988 54.840 -0.020 0.000 0.755 472 L CB -0.952 41.082 42.059 -0.042 0.000 0.904 472 L HN -0.082 nan 8.230 nan 0.000 0.435 473 L N -0.165 121.045 121.223 -0.021 0.000 2.093 473 L HA -0.196 4.131 4.340 -0.021 0.000 0.208 473 L C 2.563 179.441 176.870 0.013 0.000 1.085 473 L CA 1.010 55.841 54.840 -0.016 0.000 0.755 473 L CB -0.676 41.367 42.059 -0.027 0.000 0.904 473 L HN 0.428 nan 8.230 nan 0.000 0.435 474 N N 0.837 119.557 118.700 0.034 0.000 2.084 474 N HA -0.204 4.524 4.740 -0.021 0.000 0.190 474 N C 1.836 177.336 175.510 -0.016 0.000 1.030 474 N CA 1.718 54.777 53.050 0.016 0.000 0.849 474 N CB 0.133 38.628 38.487 0.014 0.000 1.012 474 N HN 0.305 nan 8.380 nan 0.000 0.423 475 A N 1.203 124.006 122.820 -0.028 0.000 1.902 475 A HA -0.068 4.240 4.320 -0.021 0.000 0.217 475 A C 2.234 179.805 177.584 -0.023 0.000 1.181 475 A CA 0.820 52.833 52.037 -0.040 0.000 0.623 475 A CB -0.599 18.375 19.000 -0.044 0.000 0.818 475 A HN 0.281 nan 8.150 nan 0.000 0.443 476 L N -0.956 120.256 121.223 -0.017 0.000 2.017 476 L HA -0.138 4.189 4.340 -0.021 0.000 0.208 476 L C 2.423 179.290 176.870 -0.004 0.000 1.073 476 L CA 1.710 56.542 54.840 -0.012 0.000 0.745 476 L CB -1.226 40.822 42.059 -0.018 0.000 0.894 476 L HN 0.460 nan 8.230 nan 0.000 0.432 477 L N -0.488 120.733 121.223 -0.002 0.000 2.093 477 L HA -0.135 4.193 4.340 -0.021 0.000 0.208 477 L C 2.237 179.109 176.870 0.003 0.000 1.085 477 L CA 1.564 56.407 54.840 0.004 0.000 0.755 477 L CB -0.789 41.276 42.059 0.010 0.000 0.904 477 L HN 0.311 nan 8.230 nan 0.000 0.435 478 N N -1.025 117.670 118.700 -0.008 0.000 2.223 478 N HA -0.151 4.577 4.740 -0.021 0.000 0.185 478 N C 1.608 177.116 175.510 -0.002 0.000 1.016 478 N CA 1.801 54.843 53.050 -0.014 0.000 0.863 478 N CB -0.131 38.334 38.487 -0.037 0.000 0.983 478 N HN 0.426 nan 8.380 nan 0.000 0.429 479 T N 0.902 115.457 114.554 0.002 0.000 2.777 479 T HA -0.015 4.323 4.350 -0.021 0.000 0.266 479 T C 1.971 176.688 174.700 0.028 0.000 1.040 479 T CA 1.215 63.323 62.100 0.013 0.000 1.141 479 T CB -0.183 68.691 68.868 0.010 0.000 0.868 479 T HN 0.309 nan 8.240 nan 0.000 0.444 480 A N 1.157 123.996 122.820 0.031 0.000 1.930 480 A HA 0.175 4.483 4.320 -0.021 0.000 0.217 480 A C 2.548 180.165 177.584 0.055 0.000 1.175 480 A CA 1.691 53.758 52.037 0.049 0.000 0.627 480 A CB -1.105 17.915 19.000 0.033 0.000 0.815 480 A HN 0.510 nan 8.150 nan 0.000 0.443 481 G N -1.748 107.074 108.800 0.036 0.000 2.464 481 G HA2 0.321 4.269 3.960 -0.021 0.000 0.217 481 G HA3 0.321 4.269 3.960 -0.021 0.000 0.217 481 G C 1.064 175.990 174.900 0.042 0.000 1.138 481 G CA 0.804 45.924 45.100 0.034 0.000 0.793 481 G HN 1.692 nan 8.290 nan 0.000 0.539 482 G N -1.426 107.397 108.800 0.038 0.000 2.155 482 G HA2 0.285 4.233 3.960 -0.021 0.000 0.130 482 G HA3 0.285 4.233 3.960 -0.021 0.000 0.130 482 G C 0.358 175.275 174.900 0.028 0.000 1.027 482 G CA 0.137 45.261 45.100 0.041 0.000 0.705 482 G HN 1.118 nan 8.290 nan 0.000 0.496 483 A N -0.071 122.755 122.820 0.011 0.000 2.448 483 A HA 0.622 4.930 4.320 -0.021 0.000 0.239 483 A C 1.658 179.259 177.584 0.029 0.000 1.080 483 A CA 1.511 53.540 52.037 -0.012 0.000 0.779 483 A CB 0.243 19.213 19.000 -0.050 0.000 1.026 483 A HN 0.698 nan 8.150 nan 0.000 0.499 484 T N 0.134 114.709 114.554 0.035 0.000 2.851 484 T HA 0.057 4.395 4.350 -0.021 0.000 0.262 484 T C 0.133 175.048 174.700 0.359 0.000 1.043 484 T CA 1.880 64.096 62.100 0.193 0.000 1.140 484 T CB -0.275 68.758 68.868 0.275 0.000 0.872 484 T HN 0.865 nan 8.240 nan 0.000 0.446 485 W N 0.096 121.430 121.300 0.058 0.000 3.097 485 W HA 0.711 5.358 4.660 -0.022 0.000 0.335 485 W C -2.102 174.416 176.519 -0.002 0.000 1.114 485 W CA -1.303 56.066 57.345 0.039 0.000 1.231 485 W CB 0.977 30.484 29.460 0.078 0.000 1.388 485 W HN -0.320 nan 8.180 nan 0.000 0.485 486 V N 3.856 123.871 119.914 0.168 0.000 2.680 486 V HA 0.782 4.890 4.120 -0.021 0.000 0.309 486 V C -0.171 175.949 176.094 0.045 0.000 1.052 486 V CA -0.690 61.631 62.300 0.036 0.000 0.908 486 V CB 1.643 33.472 31.823 0.011 0.000 1.001 486 V HN 0.734 nan 8.190 nan 0.000 0.431 487 S N 4.330 120.011 115.700 -0.032 0.000 2.569 487 S HA 0.865 5.322 4.470 -0.021 0.000 0.280 487 S C -1.268 173.292 174.600 -0.066 0.000 1.111 487 S CA -0.811 57.380 58.200 -0.014 0.000 0.887 487 S CB 1.901 65.092 63.200 -0.016 0.000 1.095 487 S HN 0.504 nan 8.310 nan 0.000 0.476 488 L N 2.620 123.892 121.223 0.082 0.000 2.406 488 L HA 0.547 4.875 4.340 -0.021 0.000 0.270 488 L C -0.515 176.513 176.870 0.264 0.000 0.982 488 L CA -0.398 54.483 54.840 0.068 0.000 0.843 488 L CB 1.512 43.590 42.059 0.031 0.000 1.225 488 L HN 0.830 nan 8.230 nan 0.000 0.412 489 H N 1.392 120.426 119.070 -0.061 0.000 2.710 489 H HA 0.469 5.013 4.556 -0.021 0.000 0.361 489 H C -1.237 173.918 175.328 -0.289 0.000 1.175 489 H CA -0.921 55.067 56.048 -0.100 0.000 1.206 489 H CB 2.866 32.660 29.762 0.053 0.000 1.750 489 H HN 0.526 nan 8.280 nan 0.000 0.553 490 H N -0.340 118.695 119.070 -0.059 0.000 2.600 490 H HA 0.279 4.823 4.556 -0.020 0.000 0.357 490 H C 0.396 175.807 175.328 0.139 0.000 1.106 490 H CA 0.173 56.200 56.048 -0.034 0.000 1.193 490 H CB 1.495 31.258 29.762 0.002 0.000 1.594 490 H HN 1.038 nan 8.280 nan 0.000 0.526 491 G N 3.243 111.891 108.800 -0.253 0.000 2.143 491 G HA2 -0.241 3.707 3.960 -0.021 0.000 0.248 491 G HA3 -0.241 3.707 3.960 -0.021 0.000 0.248 491 G C 0.543 175.649 174.900 0.342 0.000 0.991 491 G CA 0.220 45.245 45.100 -0.127 0.000 0.689 491 G HN 0.957 nan 8.290 nan 0.000 0.522 492 G N -1.593 107.541 108.800 0.557 0.000 2.527 492 G HA2 0.561 4.509 3.960 -0.021 0.000 0.248 492 G HA3 0.561 4.509 3.960 -0.021 0.000 0.248 492 G C 1.518 176.473 174.900 0.093 0.000 1.231 492 G CA 1.356 46.588 45.100 0.220 0.000 0.838 492 G HN 1.757 nan 8.290 nan 0.000 0.570 493 G N 0.004 108.803 108.800 -0.002 0.000 4.825 493 G HA2 -0.329 3.618 3.960 -0.021 0.000 0.224 493 G HA3 -0.329 3.618 3.960 -0.021 0.000 0.224 493 G C 1.533 176.446 174.900 0.023 0.000 1.356 493 G CA 1.802 46.892 45.100 -0.017 0.000 0.966 493 G HN 1.962 nan 8.290 nan 0.000 0.690 494 V N -0.263 119.739 119.914 0.147 0.000 3.649 494 V HA 0.583 4.690 4.120 -0.021 0.000 0.275 494 V C 1.562 177.841 176.094 0.308 0.000 1.281 494 V CA 0.838 63.258 62.300 0.201 0.000 1.143 494 V CB -0.667 31.270 31.823 0.191 0.000 0.892 494 V HN 2.589 nan 8.190 nan 0.000 0.441 495 G N 0.236 109.244 108.800 0.347 0.000 2.756 495 G HA2 -0.137 3.811 3.960 -0.021 0.000 0.678 495 G HA3 -0.137 3.811 3.960 -0.021 0.000 0.678 495 G C -0.496 174.358 174.900 -0.076 0.000 1.349 495 G CA -0.452 44.837 45.100 0.315 0.000 0.847 495 G HN 0.286 nan 8.290 nan 0.000 0.548 496 M N 1.128 120.263 119.600 -0.775 0.000 2.274 496 M HA 0.240 4.708 4.480 -0.021 0.000 0.377 496 M C 1.871 178.030 176.300 -0.234 0.000 1.428 496 M CA 2.075 56.893 55.300 -0.804 0.000 0.907 496 M CB -1.029 30.837 32.600 -1.222 0.000 1.974 496 M HN 2.592 nan 8.290 nan 0.000 0.479 497 G N 3.223 112.004 108.800 -0.032 0.000 2.199 497 G HA2 -0.298 3.650 3.960 -0.021 0.000 0.254 497 G HA3 -0.298 3.650 3.960 -0.021 0.000 0.254 497 G C 0.367 174.999 174.900 -0.447 0.000 0.982 497 G CA 0.114 45.130 45.100 -0.141 0.000 0.632 497 G HN 0.627 nan 8.290 nan 0.000 0.529 498 F N 1.914 121.900 119.950 0.060 0.000 2.682 498 F HA 0.512 5.027 4.527 -0.020 0.000 0.308 498 F C 1.180 177.056 175.800 0.127 0.000 1.093 498 F CA 0.495 58.549 58.000 0.091 0.000 1.244 498 F CB 0.989 40.045 39.000 0.093 0.000 1.052 498 F HN 0.515 nan 8.300 nan 0.000 0.573 499 S N -0.571 115.282 115.700 0.255 0.000 2.567 499 S HA 0.662 5.119 4.470 -0.021 0.000 0.270 499 S C -1.290 173.478 174.600 0.279 0.000 1.152 499 S CA -0.843 57.533 58.200 0.293 0.000 0.835 499 S CB 2.327 65.752 63.200 0.374 0.000 1.115 499 S HN 0.098 nan 8.310 nan 0.000 0.459 500 Q N 0.697 120.642 119.800 0.242 0.000 2.289 500 Q HA 0.613 4.941 4.340 -0.021 0.000 0.270 500 Q C -1.689 174.360 176.000 0.081 0.000 1.038 500 Q CA -0.626 55.215 55.803 0.063 0.000 0.812 500 Q CB 2.240 31.025 28.738 0.078 0.000 1.300 500 Q HN 0.987 nan 8.270 nan 0.000 0.427 501 H N -1.660 117.506 119.070 0.160 0.000 3.042 501 H HA 0.679 5.224 4.556 -0.020 0.000 0.346 501 H C -1.137 174.196 175.328 0.008 0.000 1.294 501 H CA -1.026 55.085 56.048 0.105 0.000 1.141 501 H CB 1.077 30.941 29.762 0.169 0.000 1.872 501 H HN 0.543 nan 8.280 nan 0.000 0.541 502 S N 0.510 116.177 115.700 -0.054 0.000 2.704 502 S HA 0.929 5.387 4.470 -0.021 0.000 0.305 502 S C 0.076 174.198 174.600 -0.796 0.000 1.107 502 S CA -0.354 57.663 58.200 -0.305 0.000 0.993 502 S CB 1.930 65.031 63.200 -0.165 0.000 1.110 502 S HN 1.239 nan 8.310 nan 0.000 0.534 503 G N -0.192 108.126 108.800 -0.802 0.000 2.672 503 G HA2 0.716 4.664 3.960 -0.021 0.000 0.292 503 G HA3 0.716 4.664 3.960 -0.021 0.000 0.292 503 G C -1.159 173.556 174.900 -0.309 0.000 1.375 503 G CA -0.971 43.680 45.100 -0.748 0.000 0.890 503 G HN 1.187 nan 8.290 nan 0.000 0.476 504 M N -0.785 118.677 119.600 -0.230 0.000 2.534 504 M HA 0.826 5.294 4.480 -0.021 0.000 0.280 504 M C -1.777 174.316 176.300 -0.346 0.000 1.217 504 M CA -1.035 54.123 55.300 -0.235 0.000 0.893 504 M CB 1.857 34.362 32.600 -0.159 0.000 1.730 504 M HN 0.613 nan 8.290 nan 0.000 0.483 505 V N 2.356 121.947 119.914 -0.537 0.000 2.891 505 V HA 0.722 4.829 4.120 -0.021 0.000 0.304 505 V C -1.493 174.279 176.094 -0.536 0.000 1.171 505 V CA -0.547 61.318 62.300 -0.726 0.000 0.943 505 V CB 2.087 32.929 31.823 -1.636 0.000 1.037 505 V HN 1.039 nan 8.190 nan 0.000 0.427 506 I N 3.821 124.209 120.570 -0.304 0.000 2.582 506 I HA 0.675 4.832 4.170 -0.021 0.000 0.292 506 I C -0.863 175.215 176.117 -0.065 0.000 1.066 506 I CA -0.677 60.542 61.300 -0.135 0.000 1.053 506 I CB 2.051 40.018 38.000 -0.055 0.000 1.241 506 I HN 0.426 nan 8.210 nan 0.000 0.421 507 V N 6.384 126.312 119.914 0.023 0.000 2.546 507 V HA 0.209 4.317 4.120 -0.021 0.000 0.284 507 V C -0.342 175.778 176.094 0.044 0.000 1.050 507 V CA -0.397 61.946 62.300 0.071 0.000 0.981 507 V CB 1.133 33.061 31.823 0.175 0.000 0.990 507 V HN 0.796 nan 8.190 nan 0.000 0.474 508 C N 4.122 123.431 119.300 0.015 0.000 2.206 508 C HA 0.345 4.793 4.460 -0.021 0.000 0.324 508 C C 0.897 175.851 174.990 -0.060 0.000 1.120 508 C CA -0.861 58.155 59.018 -0.003 0.000 1.546 508 C CB -0.799 26.950 27.740 0.014 0.000 2.023 508 C HN 0.984 nan 8.230 nan 0.000 0.448 509 D N 0.309 120.683 120.400 -0.043 0.000 2.388 509 D HA 0.242 4.870 4.640 -0.021 0.000 0.221 509 D C 1.497 177.752 176.300 -0.074 0.000 1.133 509 D CA 0.432 54.368 54.000 -0.106 0.000 0.831 509 D CB -0.133 40.666 40.800 -0.001 0.000 0.962 509 D HN 0.771 nan 8.370 nan 0.000 0.502 510 G N -0.412 108.360 108.800 -0.046 0.000 2.205 510 G HA2 -0.291 3.657 3.960 -0.021 0.000 0.261 510 G HA3 -0.291 3.657 3.960 -0.021 0.000 0.261 510 G C 0.519 175.421 174.900 0.002 0.000 0.980 510 G CA 0.520 45.605 45.100 -0.025 0.000 0.632 510 G HN 0.481 nan 8.290 nan 0.000 0.533 511 T N 1.035 115.599 114.554 0.017 0.000 2.899 511 T HA 0.401 4.738 4.350 -0.021 0.000 0.295 511 T C 1.159 175.875 174.700 0.027 0.000 1.033 511 T CA 0.162 62.281 62.100 0.032 0.000 1.084 511 T CB 1.055 69.954 68.868 0.051 0.000 0.979 511 T HN 0.115 nan 8.240 nan 0.000 0.532 512 D N 1.733 122.150 120.400 0.027 0.000 2.144 512 D HA -0.067 4.560 4.640 -0.021 0.000 0.200 512 D C 1.873 178.190 176.300 0.028 0.000 0.978 512 D CA 1.111 55.124 54.000 0.023 0.000 0.833 512 D CB 0.152 40.965 40.800 0.021 0.000 0.961 512 D HN 0.546 nan 8.370 nan 0.000 0.470 513 E N 1.090 121.312 120.200 0.037 0.000 2.077 513 E HA -0.094 4.244 4.350 -0.021 0.000 0.193 513 E C 2.065 178.691 176.600 0.045 0.000 0.989 513 E CA 1.157 57.584 56.400 0.045 0.000 0.800 513 E CB -0.345 29.389 29.700 0.056 0.000 0.746 513 E HN 0.213 nan 8.360 nan 0.000 0.452 514 A N 0.942 123.789 122.820 0.045 0.000 1.933 514 A HA -0.095 4.213 4.320 -0.021 0.000 0.218 514 A C 2.348 179.948 177.584 0.027 0.000 1.175 514 A CA 1.809 53.871 52.037 0.042 0.000 0.628 514 A CB -0.835 18.189 19.000 0.041 0.000 0.814 514 A HN 0.284 nan 8.150 nan 0.000 0.444 515 A N 1.031 123.863 122.820 0.020 0.000 1.865 515 A HA -0.224 4.084 4.320 -0.021 0.000 0.217 515 A C 1.944 179.533 177.584 0.009 0.000 1.191 515 A CA 1.913 53.956 52.037 0.009 0.000 0.623 515 A CB -0.799 18.205 19.000 0.006 0.000 0.826 515 A HN 0.776 nan 8.150 nan 0.000 0.444 516 E N -0.235 119.974 120.200 0.015 0.000 2.153 516 E HA -0.199 4.138 4.350 -0.021 0.000 0.194 516 E C 2.009 178.620 176.600 0.019 0.000 0.988 516 E CA 1.200 57.609 56.400 0.015 0.000 0.811 516 E CB -0.310 29.402 29.700 0.020 0.000 0.746 516 E HN 0.612 nan 8.360 nan 0.000 0.466 517 R N 0.256 120.771 120.500 0.026 0.000 2.090 517 R HA 0.007 4.334 4.340 -0.021 0.000 0.228 517 R C 2.272 178.582 176.300 0.018 0.000 1.110 517 R CA 0.922 57.039 56.100 0.029 0.000 0.973 517 R CB -0.153 30.171 30.300 0.040 0.000 0.869 517 R HN 0.228 nan 8.270 nan 0.000 0.440 518 I N 1.131 121.709 120.570 0.013 0.000 2.179 518 I HA -0.209 3.949 4.170 -0.021 0.000 0.242 518 I C 2.580 178.694 176.117 -0.004 0.000 1.088 518 I CA 1.370 62.674 61.300 0.006 0.000 1.357 518 I CB -1.482 36.518 38.000 -0.001 0.000 1.051 518 I HN 0.113 nan 8.210 nan 0.000 0.409 519 A N 1.096 123.910 122.820 -0.009 0.000 1.892 519 A HA -0.230 4.077 4.320 -0.021 0.000 0.218 519 A C 2.511 180.086 177.584 -0.014 0.000 1.188 519 A CA 1.645 53.672 52.037 -0.018 0.000 0.631 519 A CB -0.552 18.439 19.000 -0.015 0.000 0.822 519 A HN 0.359 nan 8.150 nan 0.000 0.447 520 R N -0.738 119.759 120.500 -0.003 0.000 2.070 520 R HA -0.088 4.240 4.340 -0.021 0.000 0.227 520 R C 2.315 178.614 176.300 -0.002 0.000 1.147 520 R CA 1.677 57.777 56.100 -0.001 0.000 0.924 520 R CB -1.099 29.206 30.300 0.009 0.000 0.827 520 R HN 0.591 nan 8.270 nan 0.000 0.431 521 V N 0.513 120.428 119.914 0.002 0.000 2.490 521 V HA -0.134 3.973 4.120 -0.021 0.000 0.250 521 V C 1.858 177.951 176.094 -0.002 0.000 1.061 521 V CA 1.686 63.986 62.300 -0.000 0.000 1.064 521 V CB -0.532 31.291 31.823 -0.000 0.000 0.670 521 V HN 0.266 nan 8.190 nan 0.000 0.461 522 L N 0.077 121.301 121.223 0.001 0.000 2.552 522 L HA -0.005 4.323 4.340 -0.021 0.000 0.227 522 L C 2.393 179.236 176.870 -0.045 0.000 1.146 522 L CA 1.354 56.193 54.840 -0.001 0.000 0.858 522 L CB -0.633 41.434 42.059 0.013 0.000 0.969 522 L HN 0.422 nan 8.230 nan 0.000 0.451 523 T N -1.258 113.274 114.554 -0.037 0.000 2.988 523 T HA 0.003 4.341 4.350 -0.021 0.000 0.240 523 T C 1.665 176.345 174.700 -0.034 0.000 1.014 523 T CA 0.430 62.504 62.100 -0.044 0.000 1.155 523 T CB 0.025 68.873 68.868 -0.033 0.000 0.872 523 T HN 0.213 nan 8.240 nan 0.000 0.440 524 N N 1.769 120.458 118.700 -0.020 0.000 2.043 524 N HA -0.121 4.607 4.740 -0.021 0.000 0.193 524 N C 1.620 177.121 175.510 -0.016 0.000 1.037 524 N CA 1.394 54.437 53.050 -0.011 0.000 0.851 524 N CB -0.709 37.776 38.487 -0.002 0.000 1.027 524 N HN 0.368 nan 8.380 nan 0.000 0.422 525 D N 0.798 121.184 120.400 -0.022 0.000 2.137 525 D HA -0.111 4.517 4.640 -0.021 0.000 0.189 525 D C -0.972 175.299 176.300 -0.048 0.000 0.998 525 D CA 1.541 55.522 54.000 -0.032 0.000 0.839 525 D CB -0.796 39.988 40.800 -0.027 0.000 0.962 525 D HN 0.245 nan 8.370 nan 0.000 0.446 526 P HA -0.005 nan 4.420 nan 0.000 0.223 526 P C 1.541 178.803 177.300 -0.064 0.000 1.151 526 P CA 1.440 64.488 63.100 -0.087 0.000 0.787 526 P CB -0.205 31.425 31.700 -0.118 0.000 0.788 527 G N 0.941 109.715 108.800 -0.043 0.000 2.422 527 G HA2 -0.243 3.704 3.960 -0.021 0.000 0.218 527 G HA3 -0.243 3.704 3.960 -0.021 0.000 0.218 527 G C 1.632 176.529 174.900 -0.005 0.000 1.146 527 G CA 1.730 46.816 45.100 -0.023 0.000 0.769 527 G HN 0.395 nan 8.290 nan 0.000 0.547 528 T N -1.408 113.148 114.554 0.004 0.000 2.915 528 T HA 0.114 4.451 4.350 -0.021 0.000 0.269 528 T C 2.375 177.070 174.700 -0.008 0.000 1.071 528 T CA 1.464 63.586 62.100 0.037 0.000 1.132 528 T CB -0.273 68.634 68.868 0.064 0.000 0.878 528 T HN 0.205 nan 8.240 nan 0.000 0.479 529 G N 1.147 109.926 108.800 -0.035 0.000 2.394 529 G HA2 -0.073 3.874 3.960 -0.021 0.000 0.214 529 G HA3 -0.073 3.874 3.960 -0.021 0.000 0.214 529 G C 1.602 176.524 174.900 0.036 0.000 1.176 529 G CA 0.768 45.848 45.100 -0.033 0.000 0.786 529 G HN 0.470 nan 8.290 nan 0.000 0.533 530 V N 1.193 121.103 119.914 -0.006 0.000 2.427 530 V HA -0.178 3.929 4.120 -0.021 0.000 0.248 530 V C 2.662 178.759 176.094 0.005 0.000 1.051 530 V CA 2.031 64.335 62.300 0.006 0.000 1.048 530 V CB -0.371 31.444 31.823 -0.014 0.000 0.666 530 V HN 0.496 nan 8.190 nan 0.000 0.456 531 M N -0.157 119.432 119.600 -0.019 0.000 2.067 531 M HA -0.199 4.268 4.480 -0.021 0.000 0.260 531 M C 2.476 178.662 176.300 -0.191 0.000 1.069 531 M CA 1.932 57.215 55.300 -0.027 0.000 1.117 531 M CB -0.407 32.223 32.600 0.049 0.000 1.334 531 M HN 0.136 nan 8.290 nan 0.000 0.407 532 R N -0.449 119.803 120.500 -0.413 0.000 2.091 532 R HA -0.212 4.116 4.340 -0.021 0.000 0.238 532 R C 1.627 177.500 176.300 -0.711 0.000 1.136 532 R CA 2.356 57.813 56.100 -1.070 0.000 0.959 532 R CB -0.817 28.810 30.300 -1.120 0.000 0.856 532 R HN 0.602 nan 8.270 nan 0.000 0.437 533 H N -0.780 118.123 119.070 -0.279 0.000 2.470 533 H HA 0.135 4.679 4.556 -0.021 0.000 0.289 533 H C 1.786 177.157 175.328 0.072 0.000 1.033 533 H CA 1.146 57.175 56.048 -0.031 0.000 1.331 533 H CB 0.123 29.862 29.762 -0.040 0.000 1.414 533 H HN 0.364 nan 8.280 nan 0.000 0.545 534 A N 0.387 123.251 122.820 0.074 0.000 1.929 534 A HA -0.177 4.130 4.320 -0.021 0.000 0.216 534 A C 1.925 179.515 177.584 0.009 0.000 1.176 534 A CA 1.737 53.808 52.037 0.056 0.000 0.628 534 A CB -0.423 18.597 19.000 0.033 0.000 0.816 534 A HN 0.466 nan 8.150 nan 0.000 0.444 535 D N -0.164 120.210 120.400 -0.044 0.000 2.178 535 D HA -0.025 4.602 4.640 -0.021 0.000 0.201 535 D C 1.820 178.105 176.300 -0.025 0.000 0.980 535 D CA 1.285 55.282 54.000 -0.006 0.000 0.842 535 D CB -0.105 40.721 40.800 0.043 0.000 0.948 535 D HN 0.357 nan 8.370 nan 0.000 0.472 536 A N -0.913 121.862 122.820 -0.076 0.000 2.168 536 A HA 0.358 4.665 4.320 -0.021 0.000 0.215 536 A C 1.933 179.385 177.584 -0.220 0.000 1.152 536 A CA 1.214 53.189 52.037 -0.104 0.000 0.716 536 A CB -0.414 18.561 19.000 -0.041 0.000 0.794 536 A HN 0.490 nan 8.150 nan 0.000 0.465 537 G N -2.826 105.882 108.800 -0.153 0.000 2.179 537 G HA2 -0.240 3.708 3.960 -0.021 0.000 0.220 537 G HA3 -0.240 3.708 3.960 -0.021 0.000 0.220 537 G C -0.063 174.712 174.900 -0.209 0.000 0.990 537 G CA -0.023 44.965 45.100 -0.185 0.000 0.646 537 G HN 0.364 nan 8.290 nan 0.000 0.517 538 Y N 2.257 122.560 120.300 0.005 0.000 2.605 538 Y HA 0.222 4.760 4.550 -0.020 0.000 0.336 538 Y C 1.648 177.549 175.900 0.001 0.000 1.111 538 Y CA 0.202 58.308 58.100 0.010 0.000 1.422 538 Y CB 0.489 38.971 38.460 0.036 0.000 1.193 538 Y HN 0.086 nan 8.280 nan 0.000 0.526 539 D N 2.861 123.325 120.400 0.106 0.000 2.149 539 D HA -0.191 4.437 4.640 -0.021 0.000 0.198 539 D C 2.183 178.521 176.300 0.063 0.000 0.990 539 D CA 1.460 55.496 54.000 0.061 0.000 0.839 539 D CB 0.173 40.994 40.800 0.034 0.000 0.948 539 D HN 0.601 nan 8.370 nan 0.000 0.460 540 I N 0.033 120.650 120.570 0.079 0.000 2.208 540 I HA -0.175 3.983 4.170 -0.021 0.000 0.245 540 I C 2.340 178.476 176.117 0.032 0.000 1.097 540 I CA 1.185 62.508 61.300 0.038 0.000 1.363 540 I CB -1.662 36.346 38.000 0.014 0.000 1.051 540 I HN -0.167 nan 8.210 nan 0.000 0.413 541 A N 2.128 124.987 122.820 0.066 0.000 1.873 541 A HA -0.058 4.249 4.320 -0.021 0.000 0.215 541 A C 2.349 179.959 177.584 0.044 0.000 1.186 541 A CA 1.398 53.468 52.037 0.054 0.000 0.616 541 A CB -0.590 18.482 19.000 0.120 0.000 0.823 541 A HN 0.370 nan 8.150 nan 0.000 0.442 542 I N 0.877 121.479 120.570 0.053 0.000 2.163 542 I HA -0.245 3.913 4.170 -0.021 0.000 0.243 542 I C 1.884 178.013 176.117 0.020 0.000 1.085 542 I CA 1.791 63.110 61.300 0.032 0.000 1.347 542 I CB -1.636 36.380 38.000 0.027 0.000 1.044 542 I HN 0.308 nan 8.210 nan 0.000 0.408 543 D N 0.334 120.745 120.400 0.018 0.000 2.104 543 D HA -0.200 4.428 4.640 -0.021 0.000 0.194 543 D C 2.334 178.636 176.300 0.004 0.000 0.994 543 D CA 1.361 55.366 54.000 0.009 0.000 0.830 543 D CB -0.683 40.121 40.800 0.007 0.000 0.959 543 D HN 0.387 nan 8.370 nan 0.000 0.452 544 C N 1.280 120.581 119.300 0.002 0.000 2.413 544 C HA -0.108 4.340 4.460 -0.021 0.000 0.276 544 C C 2.918 177.905 174.990 -0.006 0.000 1.248 544 C CA 1.508 60.522 59.018 -0.007 0.000 1.742 544 C CB -1.102 26.629 27.740 -0.014 0.000 2.017 544 C HN 0.345 nan 8.230 nan 0.000 0.481 545 A N 0.351 123.172 122.820 0.001 0.000 1.883 545 A HA -0.219 4.089 4.320 -0.021 0.000 0.217 545 A C 2.228 179.813 177.584 0.001 0.000 1.186 545 A CA 2.101 54.139 52.037 0.002 0.000 0.624 545 A CB -0.661 18.346 19.000 0.011 0.000 0.822 545 A HN 0.775 nan 8.150 nan 0.000 0.444 546 K N -0.468 119.933 120.400 0.003 0.000 2.026 546 K HA -0.170 4.138 4.320 -0.021 0.000 0.208 546 K C 2.024 178.622 176.600 -0.002 0.000 1.048 546 K CA 1.712 58.000 56.287 0.001 0.000 0.929 546 K CB -0.225 32.276 32.500 0.003 0.000 0.713 546 K HN 0.639 nan 8.250 nan 0.000 0.439 547 E N 0.592 120.790 120.200 -0.004 0.000 2.077 547 E HA -0.173 4.164 4.350 -0.021 0.000 0.193 547 E C 1.904 178.498 176.600 -0.010 0.000 0.989 547 E CA 0.922 57.318 56.400 -0.007 0.000 0.800 547 E CB 0.109 29.804 29.700 -0.008 0.000 0.746 547 E HN 0.214 nan 8.360 nan 0.000 0.452 548 Q N -0.572 119.221 119.800 -0.012 0.000 2.444 548 Q HA 0.052 4.380 4.340 -0.021 0.000 0.206 548 Q C 0.886 176.879 176.000 -0.013 0.000 0.948 548 Q CA 0.755 56.548 55.803 -0.017 0.000 0.946 548 Q CB 0.870 29.595 28.738 -0.022 0.000 1.027 548 Q HN 0.414 nan 8.270 nan 0.000 0.513 549 G N 1.524 110.319 108.800 -0.008 0.000 2.273 549 G HA2 -0.270 3.678 3.960 -0.021 0.000 0.280 549 G HA3 -0.270 3.678 3.960 -0.021 0.000 0.280 549 G C 0.039 174.937 174.900 -0.002 0.000 1.047 549 G CA 0.015 45.112 45.100 -0.005 0.000 0.869 549 G HN 0.285 nan 8.290 nan 0.000 0.502 550 L N -0.106 121.117 121.223 -0.001 0.000 2.439 550 L HA 0.270 4.598 4.340 -0.021 0.000 0.269 550 L C 0.501 177.376 176.870 0.009 0.000 1.179 550 L CA -0.273 54.569 54.840 0.004 0.000 0.828 550 L CB 0.646 42.709 42.059 0.007 0.000 1.106 550 L HN 0.131 nan 8.230 nan 0.000 0.467 551 D N 3.973 124.380 120.400 0.012 0.000 2.499 551 D HA 0.279 4.906 4.640 -0.021 0.000 0.225 551 D C -0.679 175.635 176.300 0.023 0.000 1.124 551 D CA -0.198 53.811 54.000 0.015 0.000 0.938 551 D CB 0.238 41.044 40.800 0.012 0.000 1.014 551 D HN 0.262 nan 8.370 nan 0.000 0.517 552 L N 5.238 126.476 121.223 0.026 0.000 2.335 552 L HA 0.302 4.630 4.340 -0.021 0.000 0.268 552 L C -1.192 175.697 176.870 0.032 0.000 1.037 552 L CA -1.645 53.218 54.840 0.038 0.000 0.895 552 L CB 1.383 43.467 42.059 0.043 0.000 1.266 552 L HN 0.084 nan 8.230 nan 0.000 0.439 553 P HA -0.248 nan 4.420 nan 0.000 0.219 553 P C 1.532 178.846 177.300 0.022 0.000 1.159 553 P CA 1.614 64.727 63.100 0.022 0.000 0.944 553 P CB 0.135 31.847 31.700 0.020 0.000 0.792 554 M N -1.824 117.794 119.600 0.030 0.000 2.686 554 M HA 0.168 4.636 4.480 -0.021 0.000 0.246 554 M C 1.103 177.418 176.300 0.026 0.000 1.096 554 M CA 0.539 55.856 55.300 0.028 0.000 1.076 554 M CB -1.429 31.193 32.600 0.037 0.000 1.504 554 M HN -0.041 nan 8.290 nan 0.000 0.524 555 I N 0.000 120.586 120.570 0.026 0.000 2.984 555 I HA 0.000 4.158 4.170 -0.021 0.000 0.288 555 I CA 0.000 nan 61.300 nan 0.000 1.566 555 I CB 0.000 nan 38.000 nan 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494