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 1hc7_1_C DATA FIRST_RESID 5 DATA SEQUENCE KGLTPQSQDF SEWYLEVIQK AELADYGPVR GTIVVRPYGY AIWENIQQVL DATA SEQUENCE DRMFKETGHQ NAYFPLFIPM SFLXXXXXXX XXFSPELAVV THAGGEELEE DATA SEQUENCE PLAVRPTSET VIGYMWSKWI RSWRDLPQLL NQWGNVVRWE MRTRPFLRTS DATA SEQUENCE EFLWQEGHTA HATREEAEEE VRRMLSIYAR LAREYAAIPV IEGLKTEKEK DATA SEQUENCE FAGAVYTTTI EALMKDGKAL QAGTSHYLGE NFARAFDIKF QDRDLQVKYV DATA SEQUENCE HTTSWGLSWR FIGAIIMTHG DDRGLVLPPR LAPIQVVIVP IYKDESRERV DATA SEQUENCE LEAAQGLRQA LLAQGLRVHL DDRDQHTPGY KFHEWELKGV PFRVELGPKD DATA SEQUENCE LEGGQAVLAS RLGGKETLPL AALPEALPGK LDAFHEELYR RALAFREDHT DATA SEQUENCE RKVDTYEAFK EAVQEGFALA FHCGDKACER LIQEETTATT RCVPFEAEPE DATA SEQUENCE EGFCVRCGRP SAYGKRVVFA KAY 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 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.599 176.600 -0.002 0.000 0.988 5 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 5 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 6 G N 2.859 111.663 108.800 0.006 0.000 2.699 6 G HA2 0.231 4.190 3.960 -0.000 0.000 0.246 6 G HA3 0.231 4.190 3.960 -0.000 0.000 0.246 6 G C -0.092 174.831 174.900 0.038 0.000 1.219 6 G CA -0.643 44.474 45.100 0.028 0.000 0.866 6 G HN 0.499 nan 8.290 nan 0.000 0.572 7 L N 0.153 121.413 121.223 0.061 0.000 2.426 7 L HA 0.130 4.469 4.340 -0.000 0.000 0.271 7 L C 1.006 177.955 176.870 0.132 0.000 1.169 7 L CA -0.235 54.652 54.840 0.078 0.000 0.836 7 L CB 0.632 42.761 42.059 0.118 0.000 1.112 7 L HN 0.390 nan 8.230 nan 0.000 0.465 8 T N 4.495 119.134 114.554 0.141 0.000 2.853 8 T HA 0.130 4.479 4.350 -0.000 0.000 0.298 8 T C -2.225 172.618 174.700 0.239 0.000 0.978 8 T CA -0.720 61.474 62.100 0.157 0.000 1.152 8 T CB 0.594 69.546 68.868 0.142 0.000 0.914 8 T HN 0.332 nan 8.240 nan 0.000 0.539 9 P HA 0.112 nan 4.420 nan 0.000 0.268 9 P C 0.764 178.090 177.300 0.043 0.000 1.205 9 P CA -0.115 63.032 63.100 0.079 0.000 0.771 9 P CB 0.513 32.239 31.700 0.044 0.000 0.858 10 Q N 1.291 121.004 119.800 -0.145 0.000 2.181 10 Q HA -0.166 4.174 4.340 -0.000 0.000 0.205 10 Q C 1.880 177.921 176.000 0.068 0.000 0.980 10 Q CA 2.021 57.754 55.803 -0.116 0.000 0.862 10 Q CB -0.393 28.147 28.738 -0.331 0.000 0.905 10 Q HN 0.597 nan 8.270 nan 0.000 0.429 11 S N -0.032 115.675 115.700 0.012 0.000 2.423 11 S HA -0.223 4.247 4.470 -0.000 0.000 0.231 11 S C 1.912 176.540 174.600 0.048 0.000 1.014 11 S CA 1.125 59.339 58.200 0.023 0.000 0.965 11 S CB -0.085 63.117 63.200 0.005 0.000 0.785 11 S HN 0.382 nan 8.310 nan 0.000 0.495 12 Q N 1.058 120.896 119.800 0.063 0.000 2.008 12 Q HA 0.022 4.361 4.340 -0.000 0.000 0.196 12 Q C -0.432 175.626 176.000 0.098 0.000 0.973 12 Q CA 1.364 57.209 55.803 0.070 0.000 0.826 12 Q CB 0.274 29.052 28.738 0.068 0.000 0.894 12 Q HN 0.491 nan 8.270 nan 0.000 0.439 13 D N -0.825 119.660 120.400 0.141 0.000 2.337 13 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 13 D C -0.506 175.957 176.300 0.272 0.000 1.331 13 D CA -0.344 53.762 54.000 0.177 0.000 0.967 13 D CB 0.161 41.043 40.800 0.137 0.000 1.382 13 D HN 0.157 nan 8.370 nan 0.000 0.549 14 F N 2.324 122.355 119.950 0.136 0.000 2.095 14 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 14 F C 2.122 178.125 175.800 0.340 0.000 1.104 14 F CA 1.680 59.805 58.000 0.209 0.000 1.232 14 F CB 0.083 39.148 39.000 0.107 0.000 0.987 14 F HN 0.290 nan 8.300 nan 0.000 0.475 15 S N -0.359 115.567 115.700 0.376 0.000 2.370 15 S HA -0.263 4.207 4.470 -0.000 0.000 0.226 15 S C 1.874 176.602 174.600 0.215 0.000 1.033 15 S CA 1.580 59.946 58.200 0.277 0.000 1.011 15 S CB -0.421 62.913 63.200 0.223 0.000 0.852 15 S HN 0.446 nan 8.310 nan 0.000 0.457 16 E N 0.368 120.678 120.200 0.183 0.000 2.106 16 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 16 E C 1.610 178.265 176.600 0.092 0.000 0.984 16 E CA 1.114 57.587 56.400 0.123 0.000 0.806 16 E CB -0.413 29.353 29.700 0.110 0.000 0.750 16 E HN 0.657 nan 8.360 nan 0.000 0.458 17 W N -0.016 121.260 121.300 -0.040 0.000 2.335 17 W HA -0.286 4.374 4.660 -0.000 0.000 0.311 17 W C 2.018 178.448 176.519 -0.150 0.000 1.213 17 W CA 2.214 59.493 57.345 -0.110 0.000 1.274 17 W CB -0.860 28.494 29.460 -0.177 0.000 1.148 17 W HN 0.243 nan 8.180 nan 0.000 0.498 18 Y N 0.424 120.531 120.300 -0.321 0.000 2.097 18 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 18 Y C 2.186 177.832 175.900 -0.423 0.000 1.152 18 Y CA 2.386 60.172 58.100 -0.524 0.000 1.136 18 Y CB -0.786 37.542 38.460 -0.219 0.000 0.975 18 Y HN -0.087 nan 8.280 nan 0.000 0.498 19 L N 0.798 121.932 121.223 -0.149 0.000 2.046 19 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 19 L C 2.261 178.971 176.870 -0.266 0.000 1.077 19 L CA 1.871 56.617 54.840 -0.156 0.000 0.747 19 L CB -1.040 41.045 42.059 0.044 0.000 0.896 19 L HN 0.330 nan 8.230 nan 0.000 0.432 20 E N -1.380 118.650 120.200 -0.283 0.000 2.107 20 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 20 E C 2.319 178.684 176.600 -0.392 0.000 0.982 20 E CA 1.100 57.336 56.400 -0.274 0.000 0.809 20 E CB -0.248 29.329 29.700 -0.204 0.000 0.756 20 E HN 0.281 nan 8.360 nan 0.000 0.459 21 V N 1.232 120.758 119.914 -0.647 0.000 2.515 21 V HA -0.186 3.933 4.120 -0.000 0.000 0.250 21 V C 1.963 177.766 176.094 -0.485 0.000 1.058 21 V CA 1.243 63.162 62.300 -0.636 0.000 1.064 21 V CB -0.182 31.042 31.823 -0.998 0.000 0.675 21 V HN 0.242 nan 8.190 nan 0.000 0.461 22 I N -0.321 119.924 120.570 -0.543 0.000 2.286 22 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 22 I C 2.512 178.455 176.117 -0.291 0.000 1.115 22 I CA 1.746 62.804 61.300 -0.403 0.000 1.392 22 I CB -0.169 37.545 38.000 -0.478 0.000 1.065 22 I HN 0.385 nan 8.210 nan 0.000 0.418 23 Q N 0.914 120.542 119.800 -0.286 0.000 1.994 23 Q HA -0.144 4.196 4.340 -0.000 0.000 0.198 23 Q C 2.154 178.045 176.000 -0.182 0.000 0.976 23 Q CA 1.494 57.170 55.803 -0.211 0.000 0.828 23 Q CB 0.045 28.689 28.738 -0.156 0.000 0.894 23 Q HN 0.096 nan 8.270 nan 0.000 0.432 24 K N 0.031 120.312 120.400 -0.198 0.000 2.147 24 K HA -0.016 4.303 4.320 -0.000 0.000 0.205 24 K C 1.726 178.198 176.600 -0.215 0.000 1.049 24 K CA 1.250 57.423 56.287 -0.189 0.000 0.936 24 K CB -0.508 31.880 32.500 -0.188 0.000 0.722 24 K HN 0.273 nan 8.250 nan 0.000 0.446 25 A N 0.853 123.545 122.820 -0.213 0.000 2.208 25 A HA -0.035 4.285 4.320 -0.000 0.000 0.209 25 A C -0.040 177.465 177.584 -0.131 0.000 1.161 25 A CA 0.283 52.208 52.037 -0.187 0.000 0.782 25 A CB -0.240 18.686 19.000 -0.123 0.000 0.816 25 A HN 0.428 nan 8.150 nan 0.000 0.477 26 E N -2.035 118.091 120.200 -0.122 0.000 2.416 26 E HA -0.208 4.142 4.350 -0.000 0.000 0.249 26 E C 0.162 176.772 176.600 0.016 0.000 1.124 26 E CA 0.363 56.719 56.400 -0.074 0.000 0.732 26 E CB -1.774 27.873 29.700 -0.088 0.000 1.286 26 E HN 0.424 nan 8.360 nan 0.000 0.394 27 L N -0.616 120.608 121.223 0.002 0.000 2.162 27 L HA 0.250 4.590 4.340 -0.000 0.000 0.205 27 L C 0.997 177.893 176.870 0.044 0.000 1.086 27 L CA 2.088 56.971 54.840 0.071 0.000 0.778 27 L CB 0.149 42.239 42.059 0.052 0.000 0.928 27 L HN 0.419 nan 8.230 nan 0.000 0.446 28 A N -2.454 120.304 122.820 -0.103 0.000 2.564 28 A HA 0.629 4.949 4.320 -0.000 0.000 0.291 28 A C -1.745 175.644 177.584 -0.324 0.000 1.102 28 A CA -0.517 51.373 52.037 -0.245 0.000 0.660 28 A CB 1.321 20.026 19.000 -0.491 0.000 1.283 28 A HN -0.041 nan 8.150 nan 0.000 0.430 29 D N -1.556 118.624 120.400 -0.367 0.000 2.583 29 D HA 0.545 5.185 4.640 -0.000 0.000 0.248 29 D C -1.729 174.317 176.300 -0.423 0.000 1.209 29 D CA -0.150 53.628 54.000 -0.371 0.000 0.848 29 D CB 1.136 41.839 40.800 -0.162 0.000 1.431 29 D HN 0.351 nan 8.370 nan 0.000 0.436 30 Y N 0.241 120.477 120.300 -0.108 0.000 2.335 30 Y HA 0.497 5.047 4.550 -0.000 0.000 0.331 30 Y C 1.409 177.267 175.900 -0.069 0.000 1.094 30 Y CA -0.195 57.846 58.100 -0.097 0.000 1.253 30 Y CB 1.273 39.684 38.460 -0.082 0.000 1.203 30 Y HN 0.269 nan 8.280 nan 0.000 0.508 31 G N 3.284 112.129 108.800 0.074 0.000 2.599 31 G HA2 0.199 4.158 3.960 -0.000 0.000 0.264 31 G HA3 0.199 4.158 3.960 -0.000 0.000 0.264 31 G C -1.393 173.537 174.900 0.051 0.000 1.200 31 G CA -1.235 43.889 45.100 0.040 0.000 0.896 31 G HN 0.497 nan 8.290 nan 0.000 0.536 32 P HA -0.082 nan 4.420 nan 0.000 0.218 32 P C 0.533 177.852 177.300 0.032 0.000 1.148 32 P CA 0.660 63.779 63.100 0.031 0.000 0.822 32 P CB 0.107 31.824 31.700 0.027 0.000 0.784 33 V N 2.430 122.366 119.914 0.036 0.000 2.406 33 V HA 0.162 4.281 4.120 -0.000 0.000 0.272 33 V C 1.086 177.191 176.094 0.018 0.000 1.043 33 V CA -0.696 61.628 62.300 0.040 0.000 0.915 33 V CB 0.405 32.265 31.823 0.061 0.000 0.988 33 V HN 0.037 nan 8.190 nan 0.000 0.466 34 R N 3.343 123.849 120.500 0.011 0.000 2.566 34 R HA 0.223 4.563 4.340 -0.000 0.000 0.273 34 R C 1.411 177.665 176.300 -0.076 0.000 0.981 34 R CA 1.075 57.161 56.100 -0.022 0.000 1.091 34 R CB -0.009 30.283 30.300 -0.014 0.000 0.924 34 R HN 1.159 nan 8.270 nan 0.000 0.411 35 G N 1.271 110.020 108.800 -0.085 0.000 2.176 35 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.253 35 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.253 35 G C 0.146 174.970 174.900 -0.126 0.000 0.979 35 G CA 0.398 45.402 45.100 -0.160 0.000 0.641 35 G HN 0.766 nan 8.290 nan 0.000 0.530 36 T N -0.735 113.788 114.554 -0.052 0.000 2.856 36 T HA 0.769 5.119 4.350 -0.000 0.000 0.283 36 T C 0.144 174.845 174.700 0.002 0.000 1.008 36 T CA -0.304 61.784 62.100 -0.020 0.000 0.997 36 T CB 2.469 71.332 68.868 -0.008 0.000 0.992 36 T HN 1.324 nan 8.240 nan 0.000 0.454 37 I N -0.412 120.132 120.570 -0.043 0.000 2.910 37 I HA 0.881 5.051 4.170 -0.000 0.000 0.310 37 I C -1.291 174.748 176.117 -0.130 0.000 1.043 37 I CA -1.623 59.577 61.300 -0.166 0.000 1.053 37 I CB 2.181 39.939 38.000 -0.403 0.000 1.242 37 I HN 0.397 nan 8.210 nan 0.000 0.452 38 V N 4.144 123.953 119.914 -0.176 0.000 2.384 38 V HA 0.312 4.432 4.120 -0.000 0.000 0.287 38 V C 0.010 176.008 176.094 -0.159 0.000 1.020 38 V CA -0.637 61.598 62.300 -0.107 0.000 0.850 38 V CB 1.653 33.431 31.823 -0.075 0.000 0.987 38 V HN 0.532 nan 8.190 nan 0.000 0.436 39 V N 6.810 126.669 119.914 -0.092 0.000 2.385 39 V HA 0.384 4.504 4.120 -0.000 0.000 0.269 39 V C 0.736 176.861 176.094 0.053 0.000 1.043 39 V CA -0.627 61.648 62.300 -0.042 0.000 0.906 39 V CB 0.716 32.583 31.823 0.073 0.000 0.995 39 V HN 0.762 nan 8.190 nan 0.000 0.467 40 R N 4.978 125.505 120.500 0.044 0.000 2.637 40 R HA 0.217 4.557 4.340 -0.000 0.000 0.269 40 R C -1.517 174.873 176.300 0.150 0.000 1.089 40 R CA -1.563 54.577 56.100 0.067 0.000 1.177 40 R CB 0.183 30.507 30.300 0.040 0.000 1.091 40 R HN 0.350 nan 8.270 nan 0.000 0.540 41 P HA -0.257 nan 4.420 nan 0.000 0.218 41 P C 1.159 178.602 177.300 0.238 0.000 1.165 41 P CA 1.616 64.827 63.100 0.186 0.000 0.922 41 P CB -0.175 31.608 31.700 0.140 0.000 0.794 42 Y N -0.127 120.222 120.300 0.083 0.000 2.181 42 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 42 Y C 2.479 178.419 175.900 0.066 0.000 1.146 42 Y CA 1.779 59.919 58.100 0.067 0.000 1.164 42 Y CB -0.807 37.678 38.460 0.043 0.000 0.982 42 Y HN -0.106 nan 8.280 nan 0.000 0.515 43 G N -1.489 107.376 108.800 0.108 0.000 2.402 43 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 43 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 43 G C 1.390 176.330 174.900 0.066 0.000 1.162 43 G CA 0.778 45.889 45.100 0.018 0.000 0.777 43 G HN 0.534 nan 8.290 nan 0.000 0.539 44 Y N 1.981 122.328 120.300 0.078 0.000 2.293 44 Y HA 0.070 4.620 4.550 -0.000 0.000 0.291 44 Y C 2.864 178.842 175.900 0.129 0.000 1.137 44 Y CA 0.917 59.113 58.100 0.159 0.000 1.202 44 Y CB -0.168 38.381 38.460 0.150 0.000 0.990 44 Y HN 0.245 nan 8.280 nan 0.000 0.537 45 A N 0.077 122.929 122.820 0.054 0.000 1.972 45 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 45 A C 2.240 179.736 177.584 -0.148 0.000 1.169 45 A CA 1.799 53.806 52.037 -0.051 0.000 0.635 45 A CB -0.997 17.976 19.000 -0.045 0.000 0.810 45 A HN 0.549 nan 8.150 nan 0.000 0.446 46 I N -1.864 118.604 120.570 -0.170 0.000 2.252 46 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 46 I C 2.520 178.613 176.117 -0.039 0.000 1.102 46 I CA 1.290 62.508 61.300 -0.137 0.000 1.385 46 I CB -0.381 37.517 38.000 -0.169 0.000 1.064 46 I HN 0.727 nan 8.210 nan 0.000 0.414 47 W N 2.527 123.687 121.300 -0.233 0.000 2.358 47 W HA -0.199 4.460 4.660 -0.000 0.000 0.303 47 W C 2.136 178.474 176.519 -0.301 0.000 1.208 47 W CA 1.466 58.691 57.345 -0.201 0.000 1.274 47 W CB -0.006 29.337 29.460 -0.194 0.000 1.138 47 W HN 0.191 nan 8.180 nan 0.000 0.515 48 E N 0.189 120.119 120.200 -0.450 0.000 2.077 48 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 48 E C 1.825 178.161 176.600 -0.440 0.000 0.989 48 E CA 1.339 57.438 56.400 -0.502 0.000 0.800 48 E CB -0.367 29.156 29.700 -0.295 0.000 0.746 48 E HN 0.196 nan 8.360 nan 0.000 0.452 49 N N 0.752 119.272 118.700 -0.300 0.000 2.166 49 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 49 N C 1.866 177.189 175.510 -0.312 0.000 1.019 49 N CA 0.879 53.785 53.050 -0.240 0.000 0.856 49 N CB -0.146 38.261 38.487 -0.135 0.000 0.993 49 N HN 0.183 nan 8.380 nan 0.000 0.426 50 I N 1.048 121.404 120.570 -0.356 0.000 2.226 50 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 50 I C 2.588 178.341 176.117 -0.605 0.000 1.100 50 I CA 1.016 62.065 61.300 -0.418 0.000 1.374 50 I CB -0.190 37.606 38.000 -0.341 0.000 1.057 50 I HN 0.212 nan 8.210 nan 0.000 0.413 51 Q N 0.689 119.943 119.800 -0.911 0.000 2.079 51 Q HA -0.262 4.077 4.340 -0.000 0.000 0.200 51 Q C 2.213 177.761 176.000 -0.754 0.000 0.974 51 Q CA 1.571 56.654 55.803 -1.199 0.000 0.840 51 Q CB 0.025 27.761 28.738 -1.671 0.000 0.898 51 Q HN 0.527 nan 8.270 nan 0.000 0.430 52 Q N -0.548 118.918 119.800 -0.557 0.000 2.050 52 Q HA -0.149 4.190 4.340 -0.000 0.000 0.202 52 Q C 2.204 177.999 176.000 -0.341 0.000 0.980 52 Q CA 1.846 57.423 55.803 -0.376 0.000 0.840 52 Q CB 0.037 28.608 28.738 -0.278 0.000 0.898 52 Q HN 0.267 nan 8.270 nan 0.000 0.424 53 V N 1.114 120.791 119.914 -0.395 0.000 2.261 53 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 53 V C 2.224 178.021 176.094 -0.495 0.000 1.047 53 V CA 1.618 63.630 62.300 -0.480 0.000 1.015 53 V CB -0.580 30.819 31.823 -0.707 0.000 0.642 53 V HN 0.351 nan 8.190 nan 0.000 0.446 54 L N -0.315 120.598 121.223 -0.516 0.000 2.046 54 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 54 L C 2.461 178.811 176.870 -0.867 0.000 1.077 54 L CA 1.671 56.064 54.840 -0.746 0.000 0.747 54 L CB -0.718 40.974 42.059 -0.613 0.000 0.896 54 L HN 0.345 nan 8.230 nan 0.000 0.432 55 D N -0.027 120.154 120.400 -0.365 0.000 2.123 55 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 55 D C 2.334 178.593 176.300 -0.068 0.000 0.992 55 D CA 1.165 55.127 54.000 -0.063 0.000 0.833 55 D CB 0.020 40.809 40.800 -0.019 0.000 0.954 55 D HN 0.141 nan 8.370 nan 0.000 0.455 56 R N -0.458 119.952 120.500 -0.149 0.000 2.080 56 R HA -0.070 4.270 4.340 -0.000 0.000 0.236 56 R C 2.548 178.811 176.300 -0.061 0.000 1.137 56 R CA 1.265 57.312 56.100 -0.089 0.000 0.943 56 R CB -0.161 30.067 30.300 -0.120 0.000 0.846 56 R HN 0.245 nan 8.270 nan 0.000 0.431 57 M N -0.568 118.938 119.600 -0.157 0.000 2.159 57 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 57 M C 1.758 178.119 176.300 0.100 0.000 1.063 57 M CA 1.393 56.642 55.300 -0.084 0.000 1.110 57 M CB -0.207 32.284 32.600 -0.181 0.000 1.374 57 M HN 0.074 nan 8.290 nan 0.000 0.411 58 F N 0.721 120.671 119.950 0.001 0.000 2.146 58 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 58 F C 2.473 178.409 175.800 0.227 0.000 1.096 58 F CA 1.097 59.128 58.000 0.051 0.000 1.275 58 F CB -1.186 37.845 39.000 0.052 0.000 1.008 58 F HN 0.121 nan 8.300 nan 0.000 0.480 59 K N 0.740 121.340 120.400 0.332 0.000 2.057 59 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 59 K C 1.740 178.435 176.600 0.158 0.000 1.049 59 K CA 1.620 58.043 56.287 0.227 0.000 0.931 59 K CB -0.144 32.445 32.500 0.148 0.000 0.714 59 K HN 0.264 nan 8.250 nan 0.000 0.440 60 E N -0.353 119.919 120.200 0.121 0.000 2.333 60 E HA -0.114 4.235 4.350 -0.000 0.000 0.198 60 E C 0.875 177.523 176.600 0.079 0.000 1.007 60 E CA 1.410 57.855 56.400 0.075 0.000 0.845 60 E CB 0.066 29.794 29.700 0.047 0.000 0.766 60 E HN 0.434 nan 8.360 nan 0.000 0.507 61 T N -3.077 111.562 114.554 0.143 0.000 3.214 61 T HA 0.416 4.766 4.350 -0.000 0.000 0.264 61 T C 1.234 175.903 174.700 -0.051 0.000 1.012 61 T CA 0.029 62.186 62.100 0.095 0.000 0.901 61 T CB 0.770 69.747 68.868 0.182 0.000 1.070 61 T HN 0.208 nan 8.240 nan 0.000 0.561 62 G N 1.379 110.174 108.800 -0.008 0.000 2.179 62 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 62 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 62 G C -0.106 174.735 174.900 -0.099 0.000 0.977 62 G CA 0.068 45.121 45.100 -0.079 0.000 0.641 62 G HN 0.751 nan 8.290 nan 0.000 0.533 63 H N 0.470 119.617 119.070 0.130 0.000 2.615 63 H HA 0.656 5.212 4.556 -0.000 0.000 0.363 63 H C 0.638 176.068 175.328 0.169 0.000 1.148 63 H CA 0.460 56.606 56.048 0.163 0.000 1.401 63 H CB 0.632 30.511 29.762 0.195 0.000 1.461 63 H HN 0.445 nan 8.280 nan 0.000 0.588 64 Q N 1.493 121.464 119.800 0.285 0.000 2.359 64 Q HA 0.307 4.647 4.340 -0.000 0.000 0.274 64 Q C -0.759 175.380 176.000 0.232 0.000 1.074 64 Q CA -1.258 54.679 55.803 0.224 0.000 0.810 64 Q CB 2.253 31.081 28.738 0.151 0.000 1.342 64 Q HN 0.610 nan 8.270 nan 0.000 0.427 65 N N 0.607 119.449 118.700 0.236 0.000 2.513 65 N HA 0.647 5.387 4.740 -0.000 0.000 0.274 65 N C -0.884 174.754 175.510 0.212 0.000 1.189 65 N CA 0.132 53.330 53.050 0.246 0.000 0.975 65 N CB 1.426 40.101 38.487 0.314 0.000 1.157 65 N HN 0.699 nan 8.380 nan 0.000 0.465 66 A N 0.539 123.501 122.820 0.236 0.000 2.568 66 A HA 0.609 4.929 4.320 -0.000 0.000 0.291 66 A C -2.088 175.649 177.584 0.256 0.000 1.159 66 A CA -0.538 51.616 52.037 0.195 0.000 0.679 66 A CB 1.214 20.337 19.000 0.204 0.000 1.285 66 A HN 0.562 nan 8.150 nan 0.000 0.428 67 Y N 0.110 120.380 120.300 -0.050 0.000 2.315 67 Y HA 0.655 5.205 4.550 -0.000 0.000 0.324 67 Y C -1.797 173.989 175.900 -0.191 0.000 1.062 67 Y CA -1.165 56.929 58.100 -0.011 0.000 1.159 67 Y CB 1.025 39.488 38.460 0.006 0.000 1.145 67 Y HN 0.525 nan 8.280 nan 0.000 0.442 68 F N 6.593 126.217 119.950 -0.542 0.000 2.397 68 F HA 0.610 5.137 4.527 -0.000 0.000 0.331 68 F C -1.848 173.554 175.800 -0.664 0.000 1.090 68 F CA -2.511 55.223 58.000 -0.443 0.000 1.065 68 F CB 0.728 39.516 39.000 -0.353 0.000 1.184 68 F HN 0.423 nan 8.300 nan 0.000 0.499 69 P HA -0.079 nan 4.420 nan 0.000 0.267 69 P C 0.638 177.785 177.300 -0.255 0.000 1.201 69 P CA -0.036 62.944 63.100 -0.199 0.000 0.775 69 P CB 0.597 32.253 31.700 -0.074 0.000 0.854 70 L N 2.526 123.569 121.223 -0.301 0.000 2.072 70 L HA 0.126 4.466 4.340 -0.000 0.000 0.205 70 L C 0.487 177.097 176.870 -0.433 0.000 1.079 70 L CA 1.326 55.909 54.840 -0.428 0.000 0.752 70 L CB -0.645 41.024 42.059 -0.650 0.000 0.906 70 L HN 0.202 nan 8.230 nan 0.000 0.436 71 F N 0.411 120.307 119.950 -0.090 0.000 2.410 71 F HA 0.386 4.913 4.527 -0.000 0.000 0.348 71 F C 0.245 175.937 175.800 -0.179 0.000 1.106 71 F CA -0.587 57.341 58.000 -0.120 0.000 1.163 71 F CB 0.623 39.560 39.000 -0.104 0.000 1.129 71 F HN -0.247 nan 8.300 nan 0.000 0.516 72 I N 4.361 124.931 120.570 0.001 0.000 2.474 72 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 72 I C -2.468 173.528 176.117 -0.202 0.000 1.005 72 I CA -2.534 58.660 61.300 -0.177 0.000 1.113 72 I CB 2.140 40.060 38.000 -0.134 0.000 1.289 72 I HN 0.258 nan 8.210 nan 0.000 0.436 73 P HA 0.058 nan 4.420 nan 0.000 0.262 73 P C 0.578 177.856 177.300 -0.036 0.000 1.199 73 P CA -0.143 62.805 63.100 -0.253 0.000 0.763 73 P CB 0.492 31.927 31.700 -0.442 0.000 0.790 74 M N 4.268 123.860 119.600 -0.014 0.000 2.143 74 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 74 M C 1.674 178.046 176.300 0.120 0.000 1.071 74 M CA 2.140 57.462 55.300 0.037 0.000 1.088 74 M CB -1.150 31.469 32.600 0.031 0.000 1.360 74 M HN 0.342 nan 8.290 nan 0.000 0.404 75 S N -1.169 114.622 115.700 0.151 0.000 2.442 75 S HA -0.115 4.355 4.470 -0.000 0.000 0.236 75 S C 1.690 176.427 174.600 0.227 0.000 1.007 75 S CA 0.848 59.148 58.200 0.167 0.000 0.965 75 S CB -1.061 62.230 63.200 0.151 0.000 0.773 75 S HN 0.446 nan 8.310 nan 0.000 0.504 76 F N 1.728 121.682 119.950 0.007 0.000 2.502 76 F HA 0.403 4.930 4.527 -0.000 0.000 0.298 76 F C 1.118 176.968 175.800 0.085 0.000 1.111 76 F CA -0.356 57.678 58.000 0.057 0.000 1.445 76 F CB -0.417 38.624 39.000 0.068 0.000 1.081 76 F HN 0.158 nan 8.300 nan 0.000 0.558 88 S N 3.463 119.275 115.700 0.186 0.000 2.563 88 S HA 0.116 4.586 4.470 -0.000 0.000 0.284 88 S C -1.447 173.206 174.600 0.089 0.000 1.331 88 S CA -0.625 57.643 58.200 0.113 0.000 1.047 88 S CB 1.079 64.337 63.200 0.097 0.000 0.859 88 S HN 0.397 nan 8.310 nan 0.000 0.514 89 P HA -0.105 nan 4.420 nan 0.000 0.218 89 P C 0.773 178.135 177.300 0.104 0.000 1.148 89 P CA 1.319 64.465 63.100 0.076 0.000 0.822 89 P CB -0.052 31.707 31.700 0.099 0.000 0.784 90 E N -1.007 119.271 120.200 0.130 0.000 2.511 90 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 90 E C 0.151 176.836 176.600 0.142 0.000 1.066 90 E CA 0.179 56.689 56.400 0.182 0.000 0.871 90 E CB -0.581 29.209 29.700 0.150 0.000 0.863 90 E HN 0.211 nan 8.360 nan 0.000 0.520 91 L N 1.216 122.465 121.223 0.043 0.000 2.322 91 L HA 0.587 4.927 4.340 -0.000 0.000 0.279 91 L C -0.279 176.500 176.870 -0.151 0.000 1.036 91 L CA -1.201 53.621 54.840 -0.030 0.000 0.807 91 L CB 1.693 43.713 42.059 -0.065 0.000 1.226 91 L HN 0.056 nan 8.230 nan 0.000 0.433 92 A N 3.493 126.239 122.820 -0.124 0.000 2.249 92 A HA 0.687 5.006 4.320 -0.000 0.000 0.314 92 A C -0.584 176.885 177.584 -0.191 0.000 1.290 92 A CA -0.445 51.464 52.037 -0.213 0.000 0.893 92 A CB 0.822 19.803 19.000 -0.032 0.000 1.165 92 A HN 0.407 nan 8.150 nan 0.000 0.530 93 V N 3.342 123.090 119.914 -0.278 0.000 2.459 93 V HA 0.381 4.500 4.120 -0.000 0.000 0.295 93 V C -0.088 175.874 176.094 -0.221 0.000 1.029 93 V CA -0.628 61.471 62.300 -0.334 0.000 0.874 93 V CB 1.664 33.060 31.823 -0.711 0.000 0.985 93 V HN 0.591 nan 8.190 nan 0.000 0.438 94 V N 4.299 124.099 119.914 -0.190 0.000 2.383 94 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 94 V C 1.090 177.090 176.094 -0.157 0.000 1.036 94 V CA 0.419 62.626 62.300 -0.156 0.000 0.889 94 V CB 1.304 32.983 31.823 -0.239 0.000 0.985 94 V HN 1.112 nan 8.190 nan 0.000 0.459 95 T N 0.115 114.627 114.554 -0.069 0.000 2.959 95 T HA 0.186 4.535 4.350 -0.000 0.000 0.254 95 T C 0.349 175.058 174.700 0.015 0.000 1.003 95 T CA 0.185 62.276 62.100 -0.017 0.000 0.950 95 T CB -0.091 68.812 68.868 0.058 0.000 1.090 95 T HN 0.608 nan 8.240 nan 0.000 0.503 96 H N 0.688 119.711 119.070 -0.078 0.000 2.646 96 H HA 0.726 5.282 4.556 -0.000 0.000 0.328 96 H C -1.029 174.246 175.328 -0.088 0.000 0.998 96 H CA -0.178 55.831 56.048 -0.065 0.000 1.225 96 H CB 1.336 31.074 29.762 -0.040 0.000 1.457 96 H HN 0.473 nan 8.280 nan 0.000 0.505 97 A N 2.683 125.349 122.820 -0.257 0.000 2.547 97 A HA 0.540 4.860 4.320 -0.000 0.000 0.297 97 A C 0.721 178.186 177.584 -0.199 0.000 1.056 97 A CA -0.240 51.696 52.037 -0.169 0.000 0.688 97 A CB 0.868 19.741 19.000 -0.211 0.000 1.282 97 A HN 1.376 nan 8.150 nan 0.000 0.400 98 G N 0.296 109.034 108.800 -0.103 0.000 2.159 98 G HA2 0.220 4.180 3.960 -0.000 0.000 0.256 98 G HA3 0.220 4.180 3.960 -0.000 0.000 0.256 98 G C 1.698 176.548 174.900 -0.083 0.000 0.977 98 G CA 1.291 46.342 45.100 -0.083 0.000 0.652 98 G HN 2.947 nan 8.290 nan 0.000 0.531 99 G N -0.961 107.785 108.800 -0.090 0.000 2.157 99 G HA2 0.131 4.091 3.960 -0.000 0.000 0.239 99 G HA3 0.131 4.091 3.960 -0.000 0.000 0.239 99 G C 0.002 174.809 174.900 -0.155 0.000 0.982 99 G CA 1.259 46.365 45.100 0.009 0.000 0.650 99 G HN 2.115 nan 8.290 nan 0.000 0.527 100 E N -0.717 119.145 120.200 -0.562 0.000 2.430 100 E HA 0.629 4.979 4.350 -0.000 0.000 0.279 100 E C -0.717 175.495 176.600 -0.646 0.000 1.003 100 E CA -1.132 54.976 56.400 -0.487 0.000 0.801 100 E CB 1.072 30.655 29.700 -0.195 0.000 1.313 100 E HN 0.059 nan 8.360 nan 0.000 0.459 101 E N 1.194 121.226 120.200 -0.281 0.000 2.384 101 E HA 0.158 4.508 4.350 -0.000 0.000 0.266 101 E C -0.854 175.669 176.600 -0.128 0.000 1.012 101 E CA -0.130 56.194 56.400 -0.127 0.000 0.901 101 E CB 0.608 30.306 29.700 -0.003 0.000 0.967 101 E HN 0.402 nan 8.360 nan 0.000 0.435 102 L N 4.741 125.902 121.223 -0.105 0.000 2.326 102 L HA 0.187 4.527 4.340 -0.000 0.000 0.278 102 L C 1.397 178.236 176.870 -0.051 0.000 1.092 102 L CA -0.319 54.463 54.840 -0.096 0.000 0.810 102 L CB 1.023 43.011 42.059 -0.117 0.000 1.153 102 L HN 0.759 nan 8.230 nan 0.000 0.439 103 E N 1.296 121.467 120.200 -0.048 0.000 2.058 103 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 103 E C 0.377 176.970 176.600 -0.011 0.000 0.997 103 E CA 1.154 57.539 56.400 -0.025 0.000 0.801 103 E CB 0.212 29.897 29.700 -0.026 0.000 0.746 103 E HN 0.483 nan 8.360 nan 0.000 0.450 104 E N 1.298 121.484 120.200 -0.024 0.000 2.145 104 E HA 0.181 4.530 4.350 -0.000 0.000 0.262 104 E C -2.511 174.065 176.600 -0.040 0.000 0.883 104 E CA -2.590 53.804 56.400 -0.011 0.000 0.748 104 E CB 1.444 31.135 29.700 -0.014 0.000 1.140 104 E HN -0.055 nan 8.360 nan 0.000 0.417 105 P HA 0.082 nan 4.420 nan 0.000 0.269 105 P C -0.465 176.745 177.300 -0.151 0.000 1.209 105 P CA 0.032 63.081 63.100 -0.085 0.000 0.776 105 P CB 0.935 32.614 31.700 -0.036 0.000 0.876 106 L N 1.555 122.652 121.223 -0.209 0.000 2.322 106 L HA 0.651 4.991 4.340 -0.000 0.000 0.279 106 L C 0.629 177.405 176.870 -0.157 0.000 1.036 106 L CA -1.039 53.686 54.840 -0.190 0.000 0.807 106 L CB 1.570 43.454 42.059 -0.293 0.000 1.226 106 L HN 0.377 nan 8.230 nan 0.000 0.433 107 A N 2.494 125.262 122.820 -0.086 0.000 2.305 107 A HA 0.624 4.944 4.320 -0.000 0.000 0.322 107 A C -0.350 177.266 177.584 0.052 0.000 1.187 107 A CA -0.533 51.460 52.037 -0.073 0.000 0.825 107 A CB 1.206 20.148 19.000 -0.097 0.000 1.164 107 A HN 0.418 nan 8.150 nan 0.000 0.498 108 V N 4.201 124.145 119.914 0.051 0.000 2.479 108 V HA 0.075 4.195 4.120 -0.000 0.000 0.281 108 V C 1.182 177.248 176.094 -0.046 0.000 1.031 108 V CA -0.196 62.124 62.300 0.033 0.000 1.038 108 V CB 0.025 31.860 31.823 0.021 0.000 0.981 108 V HN 1.019 nan 8.190 nan 0.000 0.478 109 R N 7.670 128.116 120.500 -0.090 0.000 2.486 109 R HA -0.033 4.307 4.340 -0.000 0.000 0.304 109 R C -1.946 174.284 176.300 -0.117 0.000 0.913 109 R CA -0.265 55.774 56.100 -0.101 0.000 1.124 109 R CB 0.059 30.279 30.300 -0.133 0.000 0.891 109 R HN 0.488 nan 8.270 nan 0.000 0.410 110 P HA 0.026 nan 4.420 nan 0.000 0.245 110 P C -0.072 177.171 177.300 -0.095 0.000 1.199 110 P CA 0.528 63.566 63.100 -0.103 0.000 0.807 110 P CB 0.754 32.440 31.700 -0.023 0.000 1.002 111 T N -2.571 111.966 114.554 -0.027 0.000 2.927 111 T HA 0.220 4.569 4.350 -0.000 0.000 0.350 111 T C -0.187 174.479 174.700 -0.057 0.000 1.746 111 T CA -0.237 61.904 62.100 0.067 0.000 1.081 111 T CB 0.383 69.312 68.868 0.102 0.000 1.551 111 T HN -0.312 nan 8.240 nan 0.000 0.489 112 S N 1.435 117.049 115.700 -0.144 0.000 2.631 112 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 112 S C 1.539 175.807 174.600 -0.552 0.000 0.958 112 S CA 0.467 58.460 58.200 -0.345 0.000 0.920 112 S CB -0.180 62.753 63.200 -0.444 0.000 0.776 112 S HN 0.763 nan 8.310 nan 0.000 0.517 113 E N 1.658 121.580 120.200 -0.463 0.000 2.086 113 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 113 E C 2.162 178.595 176.600 -0.277 0.000 1.012 113 E CA 2.143 58.231 56.400 -0.520 0.000 0.812 113 E CB -0.169 29.348 29.700 -0.306 0.000 0.743 113 E HN 0.686 nan 8.360 nan 0.000 0.453 114 T N -2.045 112.453 114.554 -0.095 0.000 2.777 114 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 114 T C 1.976 176.628 174.700 -0.080 0.000 1.040 114 T CA 1.355 63.433 62.100 -0.036 0.000 1.141 114 T CB -0.622 68.514 68.868 0.447 0.000 0.868 114 T HN 0.042 nan 8.240 nan 0.000 0.444 115 V N 1.605 121.467 119.914 -0.086 0.000 2.427 115 V HA -0.041 4.079 4.120 -0.000 0.000 0.248 115 V C 2.705 178.639 176.094 -0.267 0.000 1.051 115 V CA 1.365 63.622 62.300 -0.070 0.000 1.048 115 V CB -0.697 31.050 31.823 -0.127 0.000 0.666 115 V HN 0.497 nan 8.190 nan 0.000 0.456 116 I N 0.816 120.962 120.570 -0.706 0.000 2.286 116 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 116 I C 2.555 178.155 176.117 -0.861 0.000 1.115 116 I CA 1.658 62.273 61.300 -1.141 0.000 1.392 116 I CB -0.859 36.130 38.000 -1.685 0.000 1.065 116 I HN 0.420 nan 8.210 nan 0.000 0.418 117 G N -0.016 108.412 108.800 -0.619 0.000 2.402 117 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 117 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 117 G C 1.606 176.275 174.900 -0.385 0.000 1.162 117 G CA 0.577 45.261 45.100 -0.692 0.000 0.777 117 G HN 0.360 nan 8.290 nan 0.000 0.539 118 Y N 1.035 121.103 120.300 -0.386 0.000 2.145 118 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 118 Y C 2.775 178.575 175.900 -0.167 0.000 1.145 118 Y CA 1.801 59.870 58.100 -0.052 0.000 1.148 118 Y CB -0.076 38.511 38.460 0.213 0.000 0.981 118 Y HN 0.074 nan 8.280 nan 0.000 0.507 119 M N -1.327 118.051 119.600 -0.370 0.000 2.159 119 M HA -0.241 4.239 4.480 -0.000 0.000 0.263 119 M C 1.901 177.726 176.300 -0.791 0.000 1.063 119 M CA 1.139 55.939 55.300 -0.833 0.000 1.110 119 M CB -1.738 30.228 32.600 -1.055 0.000 1.374 119 M HN 0.472 nan 8.290 nan 0.000 0.411 120 W N 0.620 121.618 121.300 -0.504 0.000 2.374 120 W HA -0.059 4.601 4.660 -0.000 0.000 0.288 120 W C 2.846 179.286 176.519 -0.133 0.000 1.218 120 W CA 1.158 58.383 57.345 -0.201 0.000 1.245 120 W CB -1.492 27.926 29.460 -0.070 0.000 1.126 120 W HN 0.282 nan 8.180 nan 0.000 0.545 121 S N 0.496 116.212 115.700 0.027 0.000 2.370 121 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 121 S C 1.934 176.518 174.600 -0.027 0.000 1.033 121 S CA 2.186 60.387 58.200 0.001 0.000 1.011 121 S CB -0.136 63.036 63.200 -0.046 0.000 0.852 121 S HN 0.488 nan 8.310 nan 0.000 0.457 122 K N -1.372 118.953 120.400 -0.124 0.000 2.211 122 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 122 K C 1.812 178.519 176.600 0.178 0.000 1.052 122 K CA 0.648 56.916 56.287 -0.032 0.000 0.973 122 K CB -0.419 32.011 32.500 -0.116 0.000 0.766 122 K HN 0.332 nan 8.250 nan 0.000 0.466 123 W N 2.264 123.598 121.300 0.057 0.000 2.418 123 W HA 0.205 4.865 4.660 -0.000 0.000 0.292 123 W C 0.798 177.335 176.519 0.029 0.000 1.213 123 W CA -0.190 57.195 57.345 0.066 0.000 1.283 123 W CB -0.429 29.122 29.460 0.151 0.000 1.119 123 W HN -0.080 nan 8.180 nan 0.000 0.542 124 I N 2.076 122.801 120.570 0.257 0.000 2.352 124 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 124 I C 1.363 177.541 176.117 0.102 0.000 1.036 124 I CA 0.014 61.381 61.300 0.111 0.000 1.336 124 I CB 1.031 39.045 38.000 0.024 0.000 1.407 124 I HN -0.215 nan 8.210 nan 0.000 0.497 125 R N 3.021 123.567 120.500 0.077 0.000 2.470 125 R HA 0.225 4.565 4.340 -0.000 0.000 0.210 125 R C 0.246 176.614 176.300 0.114 0.000 0.873 125 R CA 0.328 56.474 56.100 0.077 0.000 1.015 125 R CB 0.768 31.090 30.300 0.036 0.000 1.348 125 R HN 0.745 nan 8.270 nan 0.000 0.650 126 S N -0.950 114.800 115.700 0.084 0.000 2.705 126 S HA 0.200 4.669 4.470 -0.000 0.000 0.280 126 S C 0.709 175.354 174.600 0.075 0.000 1.174 126 S CA -0.834 57.455 58.200 0.149 0.000 0.823 126 S CB 0.362 63.522 63.200 -0.067 0.000 1.162 126 S HN 0.321 nan 8.310 nan 0.000 0.487 127 W N 1.019 122.486 121.300 0.279 0.000 2.359 127 W HA -0.065 4.595 4.660 -0.000 0.000 0.275 127 W C 1.127 177.630 176.519 -0.026 0.000 1.217 127 W CA 0.931 58.316 57.345 0.066 0.000 1.196 127 W CB -1.090 28.466 29.460 0.159 0.000 1.129 127 W HN 0.701 nan 8.180 nan 0.000 0.566 128 R N 0.684 120.593 120.500 -0.983 0.000 2.189 128 R HA -0.085 4.255 4.340 -0.000 0.000 0.223 128 R C 1.028 177.103 176.300 -0.375 0.000 1.092 128 R CA 1.386 56.978 56.100 -0.846 0.000 0.989 128 R CB -0.284 29.462 30.300 -0.922 0.000 0.876 128 R HN 0.106 nan 8.270 nan 0.000 0.457 129 D N 0.172 120.402 120.400 -0.283 0.000 2.339 129 D HA 0.110 4.750 4.640 -0.000 0.000 0.217 129 D C 0.199 176.378 176.300 -0.201 0.000 1.050 129 D CA 0.481 54.367 54.000 -0.190 0.000 0.856 129 D CB 0.416 41.141 40.800 -0.126 0.000 0.922 129 D HN 0.122 nan 8.370 nan 0.000 0.518 130 L N 1.510 122.603 121.223 -0.217 0.000 2.341 130 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 130 L C -2.168 174.622 176.870 -0.133 0.000 1.009 130 L CA -1.861 52.833 54.840 -0.243 0.000 0.819 130 L CB 2.151 43.988 42.059 -0.370 0.000 1.323 130 L HN -0.239 nan 8.230 nan 0.000 0.425 131 P HA 0.180 nan 4.420 nan 0.000 0.278 131 P C -1.525 175.630 177.300 -0.241 0.000 1.258 131 P CA -0.633 62.314 63.100 -0.255 0.000 0.811 131 P CB 1.333 32.914 31.700 -0.199 0.000 1.063 132 Q N 0.768 120.362 119.800 -0.343 0.000 2.340 132 Q HA 0.459 4.799 4.340 -0.000 0.000 0.259 132 Q C -1.157 174.825 176.000 -0.030 0.000 0.964 132 Q CA -0.115 55.588 55.803 -0.167 0.000 0.900 132 Q CB 0.305 28.813 28.738 -0.384 0.000 1.228 132 Q HN 0.345 nan 8.270 nan 0.000 0.449 133 L N 5.946 127.223 121.223 0.091 0.000 2.384 133 L HA 0.481 4.821 4.340 -0.000 0.000 0.261 133 L C -0.977 176.073 176.870 0.299 0.000 1.024 133 L CA -0.261 54.685 54.840 0.178 0.000 0.899 133 L CB 0.456 42.475 42.059 -0.066 0.000 1.243 133 L HN 0.461 nan 8.230 nan 0.000 0.449 134 L N 2.120 123.552 121.223 0.348 0.000 2.330 134 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 134 L C -0.497 176.402 176.870 0.048 0.000 1.013 134 L CA -0.643 54.351 54.840 0.257 0.000 0.816 134 L CB 2.291 44.534 42.059 0.306 0.000 1.287 134 L HN 0.450 nan 8.230 nan 0.000 0.435 135 N N 0.945 119.657 118.700 0.020 0.000 2.396 135 N HA 0.412 5.151 4.740 -0.000 0.000 0.275 135 N C -1.739 173.718 175.510 -0.088 0.000 1.218 135 N CA -0.573 52.354 53.050 -0.206 0.000 0.812 135 N CB 2.427 40.805 38.487 -0.182 0.000 1.592 135 N HN 0.602 nan 8.380 nan 0.000 0.480 136 Q N 1.855 121.509 119.800 -0.244 0.000 2.271 136 Q HA 0.405 4.745 4.340 -0.000 0.000 0.268 136 Q C -1.807 174.095 176.000 -0.163 0.000 1.021 136 Q CA -0.610 55.157 55.803 -0.059 0.000 0.802 136 Q CB 1.241 29.990 28.738 0.020 0.000 1.282 136 Q HN 0.621 nan 8.270 nan 0.000 0.431 137 W N 2.729 124.144 121.300 0.191 0.000 2.469 137 W HA 0.779 5.439 4.660 -0.000 0.000 0.320 137 W C 0.626 177.330 176.519 0.308 0.000 1.086 137 W CA 0.236 57.728 57.345 0.246 0.000 1.211 137 W CB 2.065 31.665 29.460 0.233 0.000 1.298 137 W HN 0.876 nan 8.180 nan 0.000 0.525 138 G N 2.089 111.250 108.800 0.602 0.000 2.333 138 G HA2 0.178 4.138 3.960 -0.000 0.000 0.288 138 G HA3 0.178 4.138 3.960 -0.000 0.000 0.288 138 G C -1.552 173.549 174.900 0.335 0.000 1.286 138 G CA -1.236 44.138 45.100 0.456 0.000 0.865 138 G HN 0.532 nan 8.290 nan 0.000 0.506 139 N N -0.914 117.865 118.700 0.132 0.000 2.472 139 N HA 0.768 5.508 4.740 -0.000 0.000 0.289 139 N C -0.051 175.303 175.510 -0.260 0.000 1.156 139 N CA -0.175 52.789 53.050 -0.143 0.000 0.940 139 N CB 1.979 40.377 38.487 -0.148 0.000 1.200 139 N HN 1.607 nan 8.380 nan 0.000 0.511 140 V N -3.745 115.788 119.914 -0.635 0.000 3.206 140 V HA 0.798 4.917 4.120 -0.000 0.000 0.305 140 V C -1.112 174.546 176.094 -0.728 0.000 1.257 140 V CA -0.961 60.950 62.300 -0.648 0.000 1.057 140 V CB 1.661 32.977 31.823 -0.845 0.000 1.075 140 V HN 0.438 nan 8.190 nan 0.000 0.443 141 V N 1.888 121.536 119.914 -0.443 0.000 2.577 141 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 141 V C -0.415 175.611 176.094 -0.113 0.000 1.042 141 V CA -0.519 61.631 62.300 -0.250 0.000 0.872 141 V CB 1.960 33.754 31.823 -0.047 0.000 0.998 141 V HN 0.971 nan 8.190 nan 0.000 0.423 142 R N 3.925 124.416 120.500 -0.014 0.000 2.625 142 R HA 0.193 4.532 4.340 -0.000 0.000 0.286 142 R C -0.748 175.664 176.300 0.186 0.000 1.406 142 R CA -0.503 55.661 56.100 0.107 0.000 1.052 142 R CB 1.419 31.786 30.300 0.112 0.000 1.203 142 R HN 0.770 nan 8.270 nan 0.000 0.502 143 W N 3.972 125.282 121.300 0.017 0.000 2.391 143 W HA -0.082 4.578 4.660 -0.000 0.000 0.339 143 W C -0.288 176.262 176.519 0.052 0.000 1.252 143 W CA 1.316 58.680 57.345 0.033 0.000 1.304 143 W CB 0.701 30.178 29.460 0.028 0.000 1.179 143 W HN 0.413 nan 8.180 nan 0.000 0.567 144 E N 4.675 124.734 120.200 -0.235 0.000 2.314 144 E HA 0.141 4.491 4.350 -0.000 0.000 0.272 144 E C 0.736 177.235 176.600 -0.168 0.000 0.884 144 E CA -0.683 55.655 56.400 -0.103 0.000 0.753 144 E CB 2.016 31.669 29.700 -0.078 0.000 1.213 144 E HN 0.321 nan 8.360 nan 0.000 0.432 145 M N 0.139 119.729 119.600 -0.017 0.000 2.466 145 M HA 0.121 4.600 4.480 -0.000 0.000 0.265 145 M C 1.023 177.312 176.300 -0.018 0.000 1.122 145 M CA 0.635 55.939 55.300 0.006 0.000 1.157 145 M CB -0.459 32.182 32.600 0.068 0.000 1.352 145 M HN 0.285 nan 8.290 nan 0.000 0.464 146 R N 1.364 121.860 120.500 -0.007 0.000 2.265 146 R HA 0.236 4.575 4.340 -0.000 0.000 0.314 146 R C -0.936 175.359 176.300 -0.010 0.000 1.053 146 R CA 0.239 56.341 56.100 0.004 0.000 0.931 146 R CB 0.644 30.961 30.300 0.029 0.000 1.024 146 R HN -0.028 nan 8.270 nan 0.000 0.457 147 T N 5.774 120.327 114.554 -0.002 0.000 3.029 147 T HA 0.231 4.581 4.350 -0.000 0.000 0.346 147 T C -0.396 174.350 174.700 0.076 0.000 1.211 147 T CA -0.415 61.693 62.100 0.015 0.000 1.009 147 T CB 0.094 68.964 68.868 0.003 0.000 1.084 147 T HN 0.484 nan 8.240 nan 0.000 0.536 148 R N 3.777 124.319 120.500 0.071 0.000 2.388 148 R HA 0.428 4.768 4.340 -0.000 0.000 0.314 148 R C -3.025 173.309 176.300 0.057 0.000 0.959 148 R CA -2.139 54.025 56.100 0.108 0.000 0.851 148 R CB 0.878 31.240 30.300 0.102 0.000 1.168 148 R HN 0.177 nan 8.270 nan 0.000 0.472 149 P HA -0.055 nan 4.420 nan 0.000 0.260 149 P C -0.629 176.537 177.300 -0.223 0.000 1.172 149 P CA 0.639 63.517 63.100 -0.371 0.000 0.760 149 P CB -0.003 31.364 31.700 -0.555 0.000 0.773 150 F N -0.486 119.348 119.950 -0.193 0.000 2.778 150 F HA -0.308 4.219 4.527 -0.000 0.000 0.399 150 F C 1.123 176.958 175.800 0.059 0.000 0.604 150 F CA 0.465 58.358 58.000 -0.179 0.000 1.106 150 F CB -1.673 37.202 39.000 -0.208 0.000 1.643 150 F HN 0.296 nan 8.300 nan 0.000 0.290 151 L N -1.442 119.873 121.223 0.154 0.000 2.515 151 L HA 0.252 4.592 4.340 -0.000 0.000 0.202 151 L C 0.740 177.628 176.870 0.030 0.000 1.056 151 L CA 0.522 55.395 54.840 0.054 0.000 0.847 151 L CB 0.306 42.332 42.059 -0.055 0.000 1.131 151 L HN -0.075 nan 8.230 nan 0.000 0.484 152 R N 0.625 121.152 120.500 0.045 0.000 2.575 152 R HA 0.382 4.722 4.340 -0.000 0.000 0.292 152 R C -1.276 175.047 176.300 0.037 0.000 1.246 152 R CA -0.115 56.002 56.100 0.029 0.000 0.973 152 R CB 1.728 32.049 30.300 0.034 0.000 1.187 152 R HN 0.076 nan 8.270 nan 0.000 0.478 153 T N -2.289 112.307 114.554 0.071 0.000 2.916 153 T HA 0.235 4.585 4.350 -0.000 0.000 0.305 153 T C 0.803 175.536 174.700 0.055 0.000 1.119 153 T CA -0.811 61.325 62.100 0.061 0.000 1.008 153 T CB 1.961 70.936 68.868 0.178 0.000 1.129 153 T HN 0.151 nan 8.240 nan 0.000 0.480 154 S N 0.543 116.165 115.700 -0.130 0.000 2.382 154 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 154 S C 0.720 175.282 174.600 -0.063 0.000 1.027 154 S CA 1.015 59.102 58.200 -0.188 0.000 0.991 154 S CB -0.237 62.566 63.200 -0.662 0.000 0.823 154 S HN 0.823 nan 8.310 nan 0.000 0.469 155 E N 0.049 120.213 120.200 -0.061 0.000 2.183 155 E HA 0.507 4.857 4.350 -0.000 0.000 0.271 155 E C -1.266 175.270 176.600 -0.107 0.000 0.919 155 E CA -0.745 55.561 56.400 -0.157 0.000 0.781 155 E CB 1.042 30.684 29.700 -0.098 0.000 1.140 155 E HN 0.256 nan 8.360 nan 0.000 0.402 156 F N 1.559 121.203 119.950 -0.511 0.000 2.668 156 F HA 0.499 5.026 4.527 -0.000 0.000 0.309 156 F C -1.863 173.195 175.800 -1.237 0.000 1.117 156 F CA -1.234 56.048 58.000 -1.197 0.000 0.951 156 F CB 0.754 39.117 39.000 -1.060 0.000 1.323 156 F HN 0.244 nan 8.300 nan 0.000 0.451 157 L N 2.480 122.756 121.223 -1.578 0.000 2.379 157 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 157 L C -0.730 176.059 176.870 -0.136 0.000 1.084 157 L CA -0.484 53.993 54.840 -0.605 0.000 0.802 157 L CB 1.534 43.334 42.059 -0.431 0.000 1.175 157 L HN 0.914 nan 8.230 nan 0.000 0.448 158 W N 1.505 122.895 121.300 0.150 0.000 2.743 158 W HA 0.347 5.007 4.660 -0.000 0.000 0.434 158 W C -2.285 174.494 176.519 0.434 0.000 1.048 158 W CA -0.826 56.768 57.345 0.416 0.000 1.170 158 W CB 1.057 30.684 29.460 0.278 0.000 1.466 158 W HN 0.500 nan 8.180 nan 0.000 0.596 159 Q N 2.204 121.967 119.800 -0.061 0.000 2.347 159 Q HA 0.475 4.815 4.340 -0.000 0.000 0.271 159 Q C -1.266 174.057 176.000 -1.129 0.000 1.064 159 Q CA -0.201 55.131 55.803 -0.785 0.000 0.800 159 Q CB 2.496 30.483 28.738 -1.252 0.000 1.304 159 Q HN 0.545 nan 8.270 nan 0.000 0.438 160 E N 1.963 121.469 120.200 -1.157 0.000 2.260 160 E HA 0.716 5.066 4.350 -0.000 0.000 0.266 160 E C -0.827 175.101 176.600 -1.120 0.000 0.887 160 E CA -1.089 54.574 56.400 -1.229 0.000 0.777 160 E CB 1.457 30.404 29.700 -1.255 0.000 1.205 160 E HN 0.638 nan 8.360 nan 0.000 0.414 161 G N 2.456 110.222 108.800 -1.722 0.000 2.410 161 G HA2 0.485 4.444 3.960 -0.000 0.000 0.330 161 G HA3 0.485 4.444 3.960 -0.000 0.000 0.330 161 G C -0.879 172.766 174.900 -2.092 0.000 1.142 161 G CA -0.420 43.219 45.100 -2.435 0.000 0.902 161 G HN 0.591 nan 8.290 nan 0.000 0.491 162 H N -0.009 118.517 119.070 -0.907 0.000 3.017 162 H HA 0.409 4.965 4.556 -0.000 0.000 0.340 162 H C -0.592 174.862 175.328 0.211 0.000 1.014 162 H CA -0.432 55.399 56.048 -0.362 0.000 1.341 162 H CB 2.056 31.528 29.762 -0.483 0.000 1.739 162 H HN 0.770 nan 8.280 nan 0.000 0.506 163 T N 0.186 115.001 114.554 0.436 0.000 2.916 163 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 163 T C -0.520 174.161 174.700 -0.033 0.000 1.055 163 T CA -1.007 61.273 62.100 0.299 0.000 1.009 163 T CB 2.477 71.591 68.868 0.410 0.000 1.118 163 T HN 0.635 nan 8.240 nan 0.000 0.497 164 A N 2.002 124.457 122.820 -0.609 0.000 2.374 164 A HA 0.771 5.091 4.320 -0.000 0.000 0.305 164 A C -0.881 176.227 177.584 -0.794 0.000 1.053 164 A CA -0.817 50.820 52.037 -0.667 0.000 0.726 164 A CB 1.040 19.372 19.000 -1.113 0.000 1.229 164 A HN 0.965 nan 8.150 nan 0.000 0.431 165 H N 1.009 120.031 119.070 -0.080 0.000 2.865 165 H HA 0.569 5.124 4.556 -0.000 0.000 0.372 165 H C 0.800 176.085 175.328 -0.071 0.000 1.173 165 H CA -0.153 55.858 56.048 -0.063 0.000 1.147 165 H CB 2.368 32.150 29.762 0.034 0.000 1.805 165 H HN 0.718 nan 8.280 nan 0.000 0.553 166 A N 1.289 124.092 122.820 -0.028 0.000 2.067 166 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 166 A C 1.046 178.783 177.584 0.256 0.000 1.156 166 A CA 1.438 53.447 52.037 -0.046 0.000 0.683 166 A CB -0.217 18.749 19.000 -0.057 0.000 0.808 166 A HN 0.688 nan 8.150 nan 0.000 0.455 167 T N -5.200 109.452 114.554 0.163 0.000 2.901 167 T HA 0.485 4.835 4.350 -0.000 0.000 0.293 167 T C 0.547 175.129 174.700 -0.197 0.000 1.084 167 T CA -0.366 61.750 62.100 0.027 0.000 1.008 167 T CB 1.740 70.612 68.868 0.005 0.000 1.170 167 T HN 0.182 nan 8.240 nan 0.000 0.509 168 R N 0.291 120.475 120.500 -0.528 0.000 2.075 168 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 168 R C 1.621 177.780 176.300 -0.236 0.000 1.126 168 R CA 1.787 57.567 56.100 -0.534 0.000 0.963 168 R CB -0.354 29.707 30.300 -0.399 0.000 0.858 168 R HN 0.773 nan 8.270 nan 0.000 0.435 169 E N 0.654 120.748 120.200 -0.178 0.000 2.085 169 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 169 E C 1.771 178.273 176.600 -0.164 0.000 0.994 169 E CA 1.623 57.935 56.400 -0.148 0.000 0.801 169 E CB -0.122 29.520 29.700 -0.097 0.000 0.743 169 E HN 0.460 nan 8.360 nan 0.000 0.453 170 E N -0.161 119.948 120.200 -0.152 0.000 2.106 170 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 170 E C 1.945 178.262 176.600 -0.472 0.000 0.984 170 E CA 0.872 57.147 56.400 -0.209 0.000 0.806 170 E CB -0.055 29.596 29.700 -0.081 0.000 0.750 170 E HN 0.266 nan 8.360 nan 0.000 0.458 171 A N 1.251 123.817 122.820 -0.423 0.000 1.873 171 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 171 A C 1.898 179.362 177.584 -0.200 0.000 1.186 171 A CA 1.431 53.235 52.037 -0.388 0.000 0.616 171 A CB -0.420 18.719 19.000 0.231 0.000 0.823 171 A HN 0.258 nan 8.150 nan 0.000 0.442 172 E N -0.216 119.823 120.200 -0.267 0.000 2.110 172 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 172 E C 1.931 178.438 176.600 -0.156 0.000 0.988 172 E CA 1.280 57.520 56.400 -0.267 0.000 0.804 172 E CB -0.196 29.304 29.700 -0.332 0.000 0.745 172 E HN 0.739 nan 8.360 nan 0.000 0.458 173 E N 0.693 120.785 120.200 -0.181 0.000 2.110 173 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 173 E C 2.019 178.532 176.600 -0.145 0.000 0.988 173 E CA 1.046 57.354 56.400 -0.153 0.000 0.804 173 E CB 0.035 29.649 29.700 -0.143 0.000 0.745 173 E HN 0.120 nan 8.360 nan 0.000 0.458 174 E N 0.722 120.821 120.200 -0.169 0.000 2.077 174 E HA -0.155 4.194 4.350 -0.000 0.000 0.193 174 E C 1.962 178.488 176.600 -0.123 0.000 0.989 174 E CA 1.026 57.356 56.400 -0.118 0.000 0.800 174 E CB -0.133 29.532 29.700 -0.059 0.000 0.746 174 E HN 0.020 nan 8.360 nan 0.000 0.452 175 V N 1.151 121.040 119.914 -0.042 0.000 2.282 175 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 175 V C 2.533 178.589 176.094 -0.064 0.000 1.057 175 V CA 2.206 64.513 62.300 0.013 0.000 1.032 175 V CB -0.564 31.347 31.823 0.146 0.000 0.645 175 V HN 0.257 nan 8.190 nan 0.000 0.447 176 R N -0.364 120.091 120.500 -0.075 0.000 2.115 176 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 176 R C 2.347 178.556 176.300 -0.153 0.000 1.100 176 R CA 1.238 57.273 56.100 -0.109 0.000 0.980 176 R CB -0.778 29.422 30.300 -0.167 0.000 0.875 176 R HN 0.525 nan 8.270 nan 0.000 0.445 177 R N 0.182 120.574 120.500 -0.181 0.000 2.081 177 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 177 R C 1.717 177.829 176.300 -0.314 0.000 1.131 177 R CA 1.410 57.392 56.100 -0.196 0.000 0.960 177 R CB 0.028 30.231 30.300 -0.162 0.000 0.856 177 R HN -0.003 nan 8.270 nan 0.000 0.436 178 M N 0.201 119.496 119.600 -0.507 0.000 2.288 178 M HA -0.048 4.431 4.480 -0.000 0.000 0.266 178 M C 2.123 177.962 176.300 -0.767 0.000 1.072 178 M CA 0.839 55.616 55.300 -0.872 0.000 1.132 178 M CB -1.007 30.663 32.600 -1.551 0.000 1.386 178 M HN 0.207 nan 8.290 nan 0.000 0.432 179 L N 0.077 121.072 121.223 -0.380 0.000 2.093 179 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 179 L C 2.347 179.200 176.870 -0.030 0.000 1.085 179 L CA 1.557 56.338 54.840 -0.098 0.000 0.755 179 L CB -0.625 41.493 42.059 0.098 0.000 0.904 179 L HN 0.174 nan 8.230 nan 0.000 0.435 180 S N -0.520 115.133 115.700 -0.079 0.000 2.402 180 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 180 S C 1.949 176.531 174.600 -0.030 0.000 1.021 180 S CA 1.476 59.663 58.200 -0.023 0.000 0.974 180 S CB -0.360 62.811 63.200 -0.048 0.000 0.800 180 S HN 0.447 nan 8.310 nan 0.000 0.484 181 I N 0.153 120.639 120.570 -0.142 0.000 2.252 181 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 181 I C 1.862 177.989 176.117 0.017 0.000 1.102 181 I CA 1.330 62.562 61.300 -0.112 0.000 1.385 181 I CB -0.284 37.592 38.000 -0.206 0.000 1.064 181 I HN 0.380 nan 8.210 nan 0.000 0.414 182 Y N 0.261 120.560 120.300 -0.002 0.000 2.145 182 Y HA -0.262 4.287 4.550 -0.000 0.000 0.286 182 Y C 2.709 178.662 175.900 0.088 0.000 1.145 182 Y CA 0.477 58.593 58.100 0.026 0.000 1.148 182 Y CB -0.351 38.148 38.460 0.065 0.000 0.981 182 Y HN 0.165 nan 8.280 nan 0.000 0.507 183 A N 0.487 123.467 122.820 0.267 0.000 1.933 183 A HA -0.240 4.079 4.320 -0.000 0.000 0.218 183 A C 2.165 179.873 177.584 0.207 0.000 1.175 183 A CA 1.802 53.977 52.037 0.231 0.000 0.628 183 A CB -0.705 18.405 19.000 0.184 0.000 0.814 183 A HN 0.429 nan 8.150 nan 0.000 0.444 184 R N -0.790 119.807 120.500 0.161 0.000 2.075 184 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 184 R C 2.088 178.537 176.300 0.248 0.000 1.126 184 R CA 1.538 57.735 56.100 0.162 0.000 0.963 184 R CB -0.400 29.969 30.300 0.115 0.000 0.858 184 R HN 0.456 nan 8.270 nan 0.000 0.435 185 L N 0.732 122.065 121.223 0.183 0.000 2.042 185 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 185 L C 2.230 179.314 176.870 0.357 0.000 1.076 185 L CA 2.209 57.139 54.840 0.150 0.000 0.749 185 L CB -0.585 41.404 42.059 -0.118 0.000 0.893 185 L HN 0.236 nan 8.230 nan 0.000 0.432 186 A N -0.228 122.832 122.820 0.400 0.000 1.858 186 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 186 A C 2.398 180.215 177.584 0.389 0.000 1.190 186 A CA 1.954 54.314 52.037 0.538 0.000 0.617 186 A CB -0.531 18.751 19.000 0.470 0.000 0.827 186 A HN 0.518 nan 8.150 nan 0.000 0.443 187 R N -0.422 120.241 120.500 0.273 0.000 2.056 187 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 187 R C 2.183 178.486 176.300 0.006 0.000 1.149 187 R CA 1.586 57.738 56.100 0.088 0.000 0.937 187 R CB -0.391 29.917 30.300 0.014 0.000 0.835 187 R HN 0.636 nan 8.270 nan 0.000 0.430 188 E N -0.754 119.477 120.200 0.052 0.000 2.208 188 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 188 E C 1.192 177.640 176.600 -0.254 0.000 0.988 188 E CA 1.004 57.342 56.400 -0.104 0.000 0.828 188 E CB 0.187 29.785 29.700 -0.172 0.000 0.763 188 E HN 0.412 nan 8.360 nan 0.000 0.478 189 Y N -0.946 119.420 120.300 0.109 0.000 2.558 189 Y HA 0.284 4.834 4.550 -0.000 0.000 0.273 189 Y C 1.977 178.022 175.900 0.242 0.000 1.100 189 Y CA 0.540 58.705 58.100 0.109 0.000 1.276 189 Y CB 0.479 38.973 38.460 0.056 0.000 1.196 189 Y HN -0.020 nan 8.280 nan 0.000 0.527 190 A N -0.264 122.838 122.820 0.470 0.000 2.343 190 A HA 0.598 4.918 4.320 -0.000 0.000 0.223 190 A C 1.492 179.335 177.584 0.431 0.000 1.214 190 A CA 0.400 52.703 52.037 0.442 0.000 0.900 190 A CB -0.544 18.752 19.000 0.493 0.000 0.942 190 A HN 0.476 nan 8.150 nan 0.000 0.507 191 A N -0.693 122.348 122.820 0.369 0.000 2.822 191 A HA -0.180 4.140 4.320 -0.000 0.000 0.287 191 A C 0.114 178.023 177.584 0.542 0.000 1.479 191 A CA 1.178 53.377 52.037 0.270 0.000 0.779 191 A CB -2.529 16.424 19.000 -0.078 0.000 1.022 191 A HN 0.566 nan 8.150 nan 0.000 0.532 192 I N 0.431 121.265 120.570 0.439 0.000 2.328 192 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 192 I C -2.297 174.034 176.117 0.357 0.000 1.012 192 I CA -2.415 59.053 61.300 0.279 0.000 1.195 192 I CB 1.679 39.738 38.000 0.098 0.000 1.350 192 I HN 0.020 nan 8.210 nan 0.000 0.464 193 P HA 0.162 nan 4.420 nan 0.000 0.271 193 P C -0.862 176.575 177.300 0.228 0.000 1.218 193 P CA -0.143 63.132 63.100 0.290 0.000 0.780 193 P CB 0.934 32.658 31.700 0.040 0.000 0.901 194 V N -0.020 120.032 119.914 0.230 0.000 3.159 194 V HA 0.605 4.725 4.120 -0.000 0.000 0.308 194 V C -0.849 175.327 176.094 0.138 0.000 1.190 194 V CA -1.030 61.384 62.300 0.190 0.000 1.037 194 V CB 2.163 34.108 31.823 0.204 0.000 1.060 194 V HN 0.255 nan 8.190 nan 0.000 0.437 195 I N 1.585 122.203 120.570 0.080 0.000 2.362 195 I HA 0.478 4.648 4.170 -0.000 0.000 0.289 195 I C -0.023 176.080 176.117 -0.024 0.000 0.994 195 I CA -0.329 60.965 61.300 -0.009 0.000 1.158 195 I CB 1.656 39.569 38.000 -0.146 0.000 1.315 195 I HN 0.745 nan 8.210 nan 0.000 0.451 196 E N 4.794 124.994 120.200 -0.001 0.000 2.259 196 E HA 0.651 5.001 4.350 -0.000 0.000 0.281 196 E C 0.088 176.418 176.600 -0.449 0.000 1.027 196 E CA -0.421 55.968 56.400 -0.019 0.000 0.838 196 E CB 1.933 31.794 29.700 0.269 0.000 1.066 196 E HN 0.839 nan 8.360 nan 0.000 0.401 197 G N 1.730 110.057 108.800 -0.787 0.000 2.488 197 G HA2 0.319 4.279 3.960 -0.000 0.000 0.301 197 G HA3 0.319 4.279 3.960 -0.000 0.000 0.301 197 G C -1.720 172.664 174.900 -0.859 0.000 1.339 197 G CA -0.819 43.513 45.100 -1.280 0.000 0.803 197 G HN 0.209 nan 8.290 nan 0.000 0.482 198 L N 1.084 121.941 121.223 -0.609 0.000 2.307 198 L HA 0.514 4.854 4.340 -0.000 0.000 0.282 198 L C 0.442 177.203 176.870 -0.182 0.000 1.051 198 L CA -0.787 53.911 54.840 -0.237 0.000 0.804 198 L CB 1.420 43.396 42.059 -0.139 0.000 1.197 198 L HN 0.421 nan 8.230 nan 0.000 0.431 199 K N 1.097 121.468 120.400 -0.049 0.000 2.168 199 K HA 0.279 4.598 4.320 -0.000 0.000 0.258 199 K C 0.319 176.892 176.600 -0.045 0.000 1.010 199 K CA -0.275 55.988 56.287 -0.041 0.000 0.929 199 K CB 0.913 33.451 32.500 0.064 0.000 0.998 199 K HN 0.758 nan 8.250 nan 0.000 0.479 200 T N -1.696 112.814 114.554 -0.074 0.000 2.828 200 T HA 0.069 4.419 4.350 -0.000 0.000 0.290 200 T C 1.300 176.043 174.700 0.071 0.000 1.019 200 T CA -0.553 61.533 62.100 -0.024 0.000 1.031 200 T CB 0.859 69.698 68.868 -0.048 0.000 1.001 200 T HN 0.455 nan 8.240 nan 0.000 0.531 201 E N 0.566 120.841 120.200 0.125 0.000 2.097 201 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 201 E C 2.073 178.730 176.600 0.094 0.000 1.000 201 E CA 1.722 58.197 56.400 0.124 0.000 0.804 201 E CB -0.272 29.508 29.700 0.132 0.000 0.740 201 E HN 0.817 nan 8.360 nan 0.000 0.454 202 K N 0.036 120.486 120.400 0.084 0.000 2.057 202 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 202 K C 1.522 178.162 176.600 0.065 0.000 1.049 202 K CA 1.523 57.851 56.287 0.068 0.000 0.931 202 K CB 0.047 32.583 32.500 0.061 0.000 0.714 202 K HN 0.017 nan 8.250 nan 0.000 0.440 203 E N 1.236 121.472 120.200 0.059 0.000 2.442 203 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 203 E C 0.306 176.981 176.600 0.124 0.000 1.030 203 E CA 0.291 56.734 56.400 0.072 0.000 0.869 203 E CB 0.276 29.995 29.700 0.030 0.000 0.857 203 E HN 0.475 nan 8.360 nan 0.000 0.505 204 K N 0.163 120.648 120.400 0.141 0.000 2.143 204 K HA 0.042 4.362 4.320 -0.000 0.000 0.239 204 K C 0.050 176.800 176.600 0.251 0.000 1.048 204 K CA -0.532 55.889 56.287 0.223 0.000 0.867 204 K CB 0.384 33.020 32.500 0.226 0.000 1.088 204 K HN -0.216 nan 8.250 nan 0.000 0.510 205 F N 0.802 120.843 119.950 0.152 0.000 2.438 205 F HA 0.330 4.857 4.527 -0.000 0.000 0.356 205 F C 1.153 176.961 175.800 0.014 0.000 1.099 205 F CA -0.357 57.659 58.000 0.027 0.000 1.185 205 F CB 0.700 39.553 39.000 -0.245 0.000 1.115 205 F HN 0.777 nan 8.300 nan 0.000 0.526 206 A N 4.757 127.133 122.820 -0.739 0.000 1.896 206 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 206 A C 2.180 179.401 177.584 -0.604 0.000 1.206 206 A CA 2.143 53.824 52.037 -0.593 0.000 0.647 206 A CB -1.672 17.026 19.000 -0.504 0.000 0.828 206 A HN 1.074 nan 8.150 nan 0.000 0.455 207 G N -1.465 106.693 108.800 -1.071 0.000 2.848 207 G HA2 0.392 4.351 3.960 -0.000 0.000 0.208 207 G HA3 0.392 4.351 3.960 -0.000 0.000 0.208 207 G C 0.490 175.340 174.900 -0.083 0.000 1.152 207 G CA 0.779 45.647 45.100 -0.386 0.000 0.789 207 G HN 0.905 nan 8.290 nan 0.000 0.531 208 A N -0.601 122.200 122.820 -0.032 0.000 2.295 208 A HA 0.619 4.939 4.320 -0.000 0.000 0.318 208 A C 1.275 178.893 177.584 0.056 0.000 1.134 208 A CA -0.457 51.631 52.037 0.085 0.000 0.827 208 A CB 1.592 20.741 19.000 0.247 0.000 1.136 208 A HN 0.060 nan 8.150 nan 0.000 0.493 209 V N 0.382 120.293 119.914 -0.005 0.000 2.358 209 V HA -0.036 4.084 4.120 -0.000 0.000 0.246 209 V C 0.499 176.773 176.094 0.300 0.000 1.047 209 V CA 2.402 64.761 62.300 0.098 0.000 1.035 209 V CB -1.409 30.453 31.823 0.065 0.000 0.658 209 V HN 0.938 nan 8.190 nan 0.000 0.452 210 Y N -2.984 117.487 120.300 0.285 0.000 2.641 210 Y HA 0.677 5.226 4.550 -0.000 0.000 0.333 210 Y C -0.964 175.137 175.900 0.335 0.000 1.174 210 Y CA -1.447 56.823 58.100 0.283 0.000 1.057 210 Y CB 0.999 39.620 38.460 0.270 0.000 1.322 210 Y HN -0.271 nan 8.280 nan 0.000 0.457 211 T N 2.450 117.337 114.554 0.556 0.000 2.812 211 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 211 T C -0.428 174.460 174.700 0.313 0.000 0.990 211 T CA -0.559 61.802 62.100 0.435 0.000 0.960 211 T CB 1.139 70.271 68.868 0.441 0.000 0.948 211 T HN 0.908 nan 8.240 nan 0.000 0.438 212 T N 0.256 114.973 114.554 0.272 0.000 2.929 212 T HA 0.806 5.156 4.350 -0.000 0.000 0.284 212 T C -0.051 174.709 174.700 0.099 0.000 1.014 212 T CA -0.693 61.535 62.100 0.213 0.000 1.051 212 T CB 1.893 70.999 68.868 0.397 0.000 1.028 212 T HN 0.553 nan 8.240 nan 0.000 0.485 213 T N 0.585 115.163 114.554 0.040 0.000 2.821 213 T HA 0.605 4.954 4.350 -0.000 0.000 0.306 213 T C -1.552 173.182 174.700 0.055 0.000 1.313 213 T CA -1.039 61.094 62.100 0.055 0.000 1.012 213 T CB 1.061 69.945 68.868 0.026 0.000 1.298 213 T HN 0.939 nan 8.240 nan 0.000 0.502 214 I N 0.857 121.491 120.570 0.107 0.000 2.418 214 I HA 0.729 4.899 4.170 -0.000 0.000 0.287 214 I C -0.517 175.670 176.117 0.116 0.000 1.008 214 I CA -0.812 60.560 61.300 0.121 0.000 1.104 214 I CB 1.874 39.992 38.000 0.197 0.000 1.264 214 I HN 0.358 nan 8.210 nan 0.000 0.438 215 E N 5.161 125.419 120.200 0.097 0.000 2.171 215 E HA 0.741 5.090 4.350 -0.000 0.000 0.271 215 E C -0.752 175.981 176.600 0.221 0.000 0.916 215 E CA -0.741 55.747 56.400 0.145 0.000 0.774 215 E CB 2.622 32.390 29.700 0.114 0.000 1.128 215 E HN 0.841 nan 8.360 nan 0.000 0.403 216 A N 2.537 125.489 122.820 0.219 0.000 2.384 216 A HA 0.673 4.992 4.320 -0.000 0.000 0.312 216 A C -1.190 176.476 177.584 0.136 0.000 1.113 216 A CA -0.693 51.456 52.037 0.188 0.000 0.779 216 A CB 1.116 20.166 19.000 0.083 0.000 1.307 216 A HN 0.435 nan 8.150 nan 0.000 0.436 217 L N 1.890 123.135 121.223 0.037 0.000 2.322 217 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 217 L C -0.364 176.441 176.870 -0.108 0.000 1.014 217 L CA -0.351 54.385 54.840 -0.173 0.000 0.815 217 L CB 1.325 43.190 42.059 -0.323 0.000 1.247 217 L HN 0.695 nan 8.230 nan 0.000 0.421 218 M N 3.220 122.750 119.600 -0.118 0.000 2.368 218 M HA 0.293 4.773 4.480 -0.000 0.000 0.311 218 M C 1.170 177.291 176.300 -0.299 0.000 1.168 218 M CA -0.222 54.993 55.300 -0.142 0.000 1.044 218 M CB 0.849 33.452 32.600 0.005 0.000 1.506 218 M HN 0.518 nan 8.290 nan 0.000 0.475 219 K N 0.740 120.881 120.400 -0.431 0.000 2.360 219 K HA -0.169 4.151 4.320 -0.000 0.000 0.201 219 K C 0.587 176.797 176.600 -0.650 0.000 1.046 219 K CA 1.367 57.227 56.287 -0.713 0.000 0.940 219 K CB -0.140 32.071 32.500 -0.481 0.000 0.748 219 K HN 0.616 nan 8.250 nan 0.000 0.465 220 D N -0.876 118.979 120.400 -0.909 0.000 2.325 220 D HA 0.022 4.662 4.640 -0.000 0.000 0.225 220 D C 0.991 177.032 176.300 -0.433 0.000 1.096 220 D CA 0.574 54.027 54.000 -0.912 0.000 0.844 220 D CB 0.125 40.116 40.800 -1.349 0.000 0.925 220 D HN 0.202 nan 8.370 nan 0.000 0.513 221 G N 0.255 108.876 108.800 -0.298 0.000 2.162 221 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 221 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 221 G C 0.104 174.839 174.900 -0.275 0.000 0.976 221 G CA 0.203 45.145 45.100 -0.263 0.000 0.655 221 G HN 0.463 nan 8.290 nan 0.000 0.533 222 K N 0.454 120.707 120.400 -0.244 0.000 2.138 222 K HA 0.716 5.036 4.320 -0.000 0.000 0.263 222 K C 0.581 177.100 176.600 -0.135 0.000 0.965 222 K CA -0.046 56.111 56.287 -0.215 0.000 0.868 222 K CB 1.777 34.089 32.500 -0.314 0.000 1.083 222 K HN 0.412 nan 8.250 nan 0.000 0.443 223 A N 2.296 125.047 122.820 -0.115 0.000 2.332 223 A HA 0.506 4.826 4.320 -0.000 0.000 0.258 223 A C -0.983 176.681 177.584 0.133 0.000 1.087 223 A CA -0.350 51.687 52.037 -0.000 0.000 0.802 223 A CB 0.351 19.442 19.000 0.152 0.000 1.042 223 A HN 0.536 nan 8.150 nan 0.000 0.489 224 L N 0.340 121.652 121.223 0.149 0.000 2.505 224 L HA 0.351 4.690 4.340 -0.000 0.000 0.266 224 L C -0.341 176.606 176.870 0.128 0.000 0.954 224 L CA -0.153 54.778 54.840 0.152 0.000 0.852 224 L CB 2.094 44.214 42.059 0.102 0.000 1.282 224 L HN 0.834 nan 8.230 nan 0.000 0.403 225 Q N 3.669 123.542 119.800 0.121 0.000 2.323 225 Q HA 0.466 4.806 4.340 -0.000 0.000 0.257 225 Q C 0.258 176.328 176.000 0.116 0.000 1.022 225 Q CA 0.485 56.356 55.803 0.113 0.000 0.919 225 Q CB 1.544 30.345 28.738 0.104 0.000 1.220 225 Q HN 0.913 nan 8.270 nan 0.000 0.427 226 A N 3.594 126.496 122.820 0.137 0.000 2.081 226 A HA 0.378 4.698 4.320 -0.000 0.000 0.214 226 A C 0.693 178.365 177.584 0.146 0.000 1.158 226 A CA 0.914 53.066 52.037 0.192 0.000 0.724 226 A CB 0.316 19.469 19.000 0.255 0.000 0.826 226 A HN 0.794 nan 8.150 nan 0.000 0.463 227 G N -1.948 106.895 108.800 0.072 0.000 2.519 227 G HA2 0.511 4.471 3.960 -0.000 0.000 0.292 227 G HA3 0.511 4.471 3.960 -0.000 0.000 0.292 227 G C -0.877 174.069 174.900 0.078 0.000 1.507 227 G CA 0.173 45.224 45.100 -0.082 0.000 0.806 227 G HN 0.793 nan 8.290 nan 0.000 0.523 228 T N -2.320 112.301 114.554 0.112 0.000 2.900 228 T HA 0.792 5.142 4.350 -0.000 0.000 0.303 228 T C -0.828 173.932 174.700 0.101 0.000 1.142 228 T CA -0.756 61.386 62.100 0.070 0.000 1.007 228 T CB 2.005 70.825 68.868 -0.081 0.000 1.156 228 T HN 1.434 nan 8.240 nan 0.000 0.490 229 S N 1.056 116.736 115.700 -0.033 0.000 2.733 229 S HA 0.429 4.899 4.470 -0.000 0.000 0.294 229 S C -1.207 173.378 174.600 -0.025 0.000 1.149 229 S CA -0.737 57.496 58.200 0.055 0.000 1.034 229 S CB 0.301 63.557 63.200 0.094 0.000 1.015 229 S HN 0.749 nan 8.310 nan 0.000 0.486 230 H N 3.121 122.314 119.070 0.205 0.000 2.463 230 H HA 0.281 4.837 4.556 -0.000 0.000 0.332 230 H C -1.069 174.322 175.328 0.106 0.000 1.127 230 H CA -0.345 55.794 56.048 0.152 0.000 1.238 230 H CB 1.124 30.949 29.762 0.105 0.000 1.478 230 H HN 0.658 nan 8.280 nan 0.000 0.499 231 Y N 2.892 123.117 120.300 -0.123 0.000 2.335 231 Y HA 0.195 4.745 4.550 -0.000 0.000 0.339 231 Y C -0.085 175.734 175.900 -0.135 0.000 0.987 231 Y CA -0.876 57.044 58.100 -0.301 0.000 1.140 231 Y CB 0.391 38.227 38.460 -1.039 0.000 1.173 231 Y HN 0.528 nan 8.280 nan 0.000 0.486 232 L N 6.102 127.082 121.223 -0.405 0.000 2.693 232 L HA 0.323 4.663 4.340 -0.000 0.000 0.235 232 L C 1.547 178.124 176.870 -0.488 0.000 1.127 232 L CA 0.289 54.945 54.840 -0.308 0.000 0.914 232 L CB -0.498 41.527 42.059 -0.056 0.000 1.193 232 L HN 1.046 nan 8.230 nan 0.000 0.502 233 G N 1.607 109.720 108.800 -1.144 0.000 2.627 233 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.312 233 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.312 233 G C 0.579 175.321 174.900 -0.262 0.000 1.299 233 G CA 0.730 45.449 45.100 -0.636 0.000 0.989 233 G HN 0.485 nan 8.290 nan 0.000 0.547 234 E N 1.434 121.487 120.200 -0.244 0.000 2.474 234 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 234 E C 1.968 178.478 176.600 -0.149 0.000 1.039 234 E CA 0.127 56.383 56.400 -0.239 0.000 0.881 234 E CB 0.024 29.545 29.700 -0.297 0.000 0.970 234 E HN 0.401 nan 8.360 nan 0.000 0.486 235 N N 1.352 120.001 118.700 -0.084 0.000 2.036 235 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 235 N C 1.456 177.023 175.510 0.095 0.000 1.037 235 N CA 1.186 54.225 53.050 -0.019 0.000 0.855 235 N CB -0.505 37.991 38.487 0.015 0.000 1.033 235 N HN 0.168 nan 8.380 nan 0.000 0.423 236 F N 1.364 121.328 119.950 0.024 0.000 2.146 236 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 236 F C 2.240 178.159 175.800 0.199 0.000 1.096 236 F CA 1.046 59.135 58.000 0.148 0.000 1.275 236 F CB -0.663 38.425 39.000 0.145 0.000 1.008 236 F HN 0.057 nan 8.300 nan 0.000 0.480 237 A N 0.513 123.422 122.820 0.149 0.000 1.865 237 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 237 A C 2.361 179.970 177.584 0.042 0.000 1.191 237 A CA 1.916 54.028 52.037 0.124 0.000 0.623 237 A CB -0.804 18.320 19.000 0.208 0.000 0.826 237 A HN 0.416 nan 8.150 nan 0.000 0.444 238 R N -0.657 119.693 120.500 -0.251 0.000 2.105 238 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 238 R C 2.358 178.549 176.300 -0.183 0.000 1.135 238 R CA 1.215 57.046 56.100 -0.448 0.000 0.967 238 R CB -0.421 29.525 30.300 -0.590 0.000 0.861 238 R HN 0.532 nan 8.270 nan 0.000 0.442 239 A N -0.373 122.357 122.820 -0.149 0.000 2.014 239 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 239 A C 1.300 178.592 177.584 -0.486 0.000 1.163 239 A CA 1.000 52.882 52.037 -0.258 0.000 0.652 239 A CB -0.072 18.822 19.000 -0.177 0.000 0.808 239 A HN 0.270 nan 8.150 nan 0.000 0.449 240 F N -1.113 118.684 119.950 -0.255 0.000 2.688 240 F HA 0.220 4.747 4.527 -0.000 0.000 0.310 240 F C 0.225 175.964 175.800 -0.102 0.000 1.098 240 F CA -0.100 57.757 58.000 -0.240 0.000 1.228 240 F CB 0.383 39.134 39.000 -0.415 0.000 1.042 240 F HN 0.244 nan 8.300 nan 0.000 0.557 241 D N 2.083 122.545 120.400 0.104 0.000 2.812 241 D HA -0.226 4.414 4.640 -0.000 0.000 0.237 241 D C -0.639 175.755 176.300 0.157 0.000 1.162 241 D CA 0.473 54.578 54.000 0.176 0.000 0.740 241 D CB -0.943 39.904 40.800 0.078 0.000 1.000 241 D HN 0.338 nan 8.370 nan 0.000 0.416 242 I N 2.235 122.939 120.570 0.223 0.000 2.337 242 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 242 I C 0.721 176.954 176.117 0.193 0.000 1.041 242 I CA -0.616 60.793 61.300 0.181 0.000 1.199 242 I CB 0.729 38.844 38.000 0.192 0.000 1.370 242 I HN 0.104 nan 8.210 nan 0.000 0.470 243 K N 6.160 126.615 120.400 0.092 0.000 2.409 243 K HA 0.840 5.160 4.320 -0.000 0.000 0.252 243 K C -1.030 175.674 176.600 0.173 0.000 1.036 243 K CA -0.856 55.455 56.287 0.040 0.000 0.871 243 K CB 2.743 35.062 32.500 -0.302 0.000 1.374 243 K HN 0.393 nan 8.250 nan 0.000 0.459 244 F N -1.966 117.954 119.950 -0.050 0.000 2.693 244 F HA 0.324 4.851 4.527 -0.000 0.000 0.309 244 F C -1.438 174.377 175.800 0.024 0.000 1.129 244 F CA -1.157 56.840 58.000 -0.006 0.000 0.948 244 F CB 1.917 40.928 39.000 0.018 0.000 1.315 244 F HN 0.561 nan 8.300 nan 0.000 0.447 245 Q N 2.738 122.534 119.800 -0.007 0.000 2.322 245 Q HA 0.218 4.558 4.340 -0.000 0.000 0.256 245 Q C -0.927 175.180 176.000 0.177 0.000 0.960 245 Q CA -0.581 55.190 55.803 -0.054 0.000 0.934 245 Q CB 0.950 29.723 28.738 0.059 0.000 1.200 245 Q HN 0.741 nan 8.270 nan 0.000 0.435 246 D N 2.333 122.703 120.400 -0.049 0.000 2.414 246 D HA 0.066 4.705 4.640 -0.000 0.000 0.251 246 D C 0.861 177.250 176.300 0.148 0.000 1.252 246 D CA -0.042 54.100 54.000 0.237 0.000 0.999 246 D CB 0.901 41.734 40.800 0.056 0.000 1.093 246 D HN 0.622 nan 8.370 nan 0.000 0.515 247 R N -0.176 120.245 120.500 -0.132 0.000 2.152 247 R HA -0.118 4.221 4.340 -0.000 0.000 0.232 247 R C 0.772 176.987 176.300 -0.140 0.000 1.117 247 R CA 1.378 57.251 56.100 -0.379 0.000 0.981 247 R CB -0.303 29.657 30.300 -0.567 0.000 0.870 247 R HN 0.434 nan 8.270 nan 0.000 0.451 248 D N 0.772 121.125 120.400 -0.079 0.000 2.325 248 D HA -0.022 4.618 4.640 -0.000 0.000 0.234 248 D C 0.525 176.810 176.300 -0.026 0.000 1.122 248 D CA -0.060 53.911 54.000 -0.050 0.000 0.850 248 D CB 0.106 40.880 40.800 -0.043 0.000 0.921 248 D HN -0.024 nan 8.370 nan 0.000 0.513 249 L N -2.122 119.100 121.223 -0.001 0.000 5.051 249 L HA -0.252 4.088 4.340 -0.000 0.000 0.432 249 L C 0.343 177.198 176.870 -0.026 0.000 1.055 249 L CA 0.896 55.743 54.840 0.011 0.000 1.095 249 L CB -2.594 39.471 42.059 0.009 0.000 1.957 249 L HN 0.353 nan 8.230 nan 0.000 0.727 250 Q N 0.091 119.857 119.800 -0.056 0.000 2.259 250 Q HA 0.592 4.932 4.340 -0.000 0.000 0.246 250 Q C -0.195 175.697 176.000 -0.180 0.000 0.920 250 Q CA -0.182 55.566 55.803 -0.093 0.000 0.895 250 Q CB 1.537 30.228 28.738 -0.079 0.000 1.220 250 Q HN 0.106 nan 8.270 nan 0.000 0.439 251 V N 4.380 124.175 119.914 -0.199 0.000 2.406 251 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 251 V C -0.310 175.563 176.094 -0.368 0.000 1.043 251 V CA -0.336 61.782 62.300 -0.304 0.000 0.915 251 V CB 0.973 32.663 31.823 -0.222 0.000 0.988 251 V HN 0.712 nan 8.190 nan 0.000 0.466 252 K N 3.396 123.452 120.400 -0.573 0.000 2.444 252 K HA 0.612 4.931 4.320 -0.000 0.000 0.252 252 K C -1.430 175.012 176.600 -0.264 0.000 0.993 252 K CA -0.908 55.145 56.287 -0.389 0.000 0.847 252 K CB 2.079 34.412 32.500 -0.279 0.000 1.340 252 K HN 0.436 nan 8.250 nan 0.000 0.446 253 Y N 0.657 120.978 120.300 0.034 0.000 2.304 253 Y HA 0.162 4.712 4.550 -0.000 0.000 0.327 253 Y C 0.699 176.743 175.900 0.238 0.000 1.209 253 Y CA -0.757 57.403 58.100 0.100 0.000 1.299 253 Y CB 0.982 39.445 38.460 0.005 0.000 1.249 253 Y HN 0.261 nan 8.280 nan 0.000 0.519 254 V N 0.087 120.242 119.914 0.402 0.000 2.904 254 V HA 0.315 4.434 4.120 -0.000 0.000 0.305 254 V C -0.294 175.892 176.094 0.153 0.000 1.067 254 V CA -0.884 61.594 62.300 0.296 0.000 1.044 254 V CB 0.940 32.814 31.823 0.084 0.000 1.050 254 V HN 0.667 nan 8.190 nan 0.000 0.475 255 H N 2.094 121.299 119.070 0.226 0.000 2.476 255 H HA 0.534 5.090 4.556 -0.000 0.000 0.328 255 H C 0.136 175.627 175.328 0.272 0.000 1.073 255 H CA 0.092 56.291 56.048 0.251 0.000 1.229 255 H CB 1.919 31.877 29.762 0.327 0.000 1.432 255 H HN 1.030 nan 8.280 nan 0.000 0.477 256 T N 0.459 115.195 114.554 0.304 0.000 2.949 256 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 256 T C 0.408 175.290 174.700 0.304 0.000 1.034 256 T CA -0.871 61.419 62.100 0.317 0.000 1.018 256 T CB 2.225 71.310 68.868 0.361 0.000 1.135 256 T HN 0.625 nan 8.240 nan 0.000 0.532 257 T N -2.160 112.586 114.554 0.320 0.000 2.865 257 T HA 0.756 5.106 4.350 -0.000 0.000 0.294 257 T C -0.690 174.073 174.700 0.106 0.000 1.119 257 T CA -0.732 61.543 62.100 0.293 0.000 1.007 257 T CB 1.656 70.791 68.868 0.445 0.000 1.225 257 T HN 1.131 nan 8.240 nan 0.000 0.515 258 S N 0.713 116.442 115.700 0.048 0.000 2.537 258 S HA 0.807 5.276 4.470 -0.000 0.000 0.270 258 S C -2.130 172.381 174.600 -0.148 0.000 1.142 258 S CA -0.756 57.209 58.200 -0.391 0.000 0.870 258 S CB 1.295 64.294 63.200 -0.336 0.000 1.112 258 S HN 1.050 nan 8.310 nan 0.000 0.466 259 W N 1.758 122.866 121.300 -0.321 0.000 3.571 259 W HA 0.639 5.298 4.660 -0.000 0.000 0.294 259 W C -0.636 175.733 176.519 -0.249 0.000 1.257 259 W CA -1.079 56.159 57.345 -0.179 0.000 1.206 259 W CB 0.864 30.226 29.460 -0.163 0.000 1.325 259 W HN 1.081 nan 8.180 nan 0.000 0.546 260 G N 1.458 110.323 108.800 0.108 0.000 2.704 260 G HA2 0.741 4.701 3.960 -0.000 0.000 0.293 260 G HA3 0.741 4.701 3.960 -0.000 0.000 0.293 260 G C -2.585 172.273 174.900 -0.070 0.000 1.421 260 G CA -1.071 43.927 45.100 -0.171 0.000 0.870 260 G HN 0.758 nan 8.290 nan 0.000 0.492 261 L N 1.178 122.372 121.223 -0.048 0.000 2.505 261 L HA 0.731 5.071 4.340 -0.000 0.000 0.266 261 L C 0.107 177.216 176.870 0.399 0.000 0.954 261 L CA -0.538 54.300 54.840 -0.004 0.000 0.852 261 L CB 2.070 43.911 42.059 -0.364 0.000 1.282 261 L HN 0.877 nan 8.230 nan 0.000 0.403 262 S N 1.648 117.618 115.700 0.450 0.000 2.786 262 S HA 0.412 4.882 4.470 -0.000 0.000 0.307 262 S C 0.227 175.079 174.600 0.419 0.000 1.121 262 S CA -0.404 58.072 58.200 0.460 0.000 0.975 262 S CB 0.718 63.983 63.200 0.110 0.000 1.220 262 S HN 0.834 nan 8.310 nan 0.000 0.550 263 W N 0.434 121.663 121.300 -0.118 0.000 2.848 263 W HA 0.251 4.911 4.660 -0.000 0.000 0.241 263 W C 1.577 178.169 176.519 0.123 0.000 1.289 263 W CA -0.256 56.996 57.345 -0.156 0.000 1.396 263 W CB -1.071 28.143 29.460 -0.409 0.000 1.138 263 W HN 0.826 nan 8.180 nan 0.000 0.677 264 R N 0.043 120.839 120.500 0.494 0.000 2.152 264 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 264 R C 1.804 178.256 176.300 0.254 0.000 1.117 264 R CA 1.414 57.704 56.100 0.316 0.000 0.981 264 R CB -0.899 29.487 30.300 0.144 0.000 0.870 264 R HN 0.215 nan 8.270 nan 0.000 0.451 265 F N 1.343 121.417 119.950 0.207 0.000 2.202 265 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 265 F C 1.825 177.684 175.800 0.099 0.000 1.082 265 F CA 1.413 59.514 58.000 0.168 0.000 1.313 265 F CB -0.012 39.138 39.000 0.249 0.000 1.024 265 F HN -0.007 nan 8.300 nan 0.000 0.495 266 I N -0.588 120.079 120.570 0.161 0.000 2.394 266 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 266 I C 2.677 178.657 176.117 -0.229 0.000 1.136 266 I CA 1.184 62.389 61.300 -0.158 0.000 1.425 266 I CB -1.254 36.390 38.000 -0.592 0.000 1.079 266 I HN 0.249 nan 8.210 nan 0.000 0.425 267 G N 0.718 109.469 108.800 -0.081 0.000 2.418 267 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 267 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 267 G C 1.894 176.762 174.900 -0.053 0.000 1.158 267 G CA 0.782 45.910 45.100 0.046 0.000 0.771 267 G HN 0.472 nan 8.290 nan 0.000 0.545 268 A N 0.780 123.500 122.820 -0.166 0.000 1.908 268 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 268 A C 2.400 179.827 177.584 -0.262 0.000 1.181 268 A CA 1.332 53.219 52.037 -0.250 0.000 0.627 268 A CB -0.365 18.393 19.000 -0.402 0.000 0.818 268 A HN 0.390 nan 8.150 nan 0.000 0.445 269 I N -0.390 120.018 120.570 -0.270 0.000 2.179 269 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 269 I C 2.323 178.418 176.117 -0.036 0.000 1.088 269 I CA 1.402 62.618 61.300 -0.140 0.000 1.357 269 I CB -0.351 37.614 38.000 -0.057 0.000 1.051 269 I HN 0.325 nan 8.210 nan 0.000 0.409 270 I N 0.205 120.770 120.570 -0.008 0.000 2.142 270 I HA -0.322 3.847 4.170 -0.000 0.000 0.240 270 I C 2.436 178.702 176.117 0.249 0.000 1.078 270 I CA 1.706 63.064 61.300 0.098 0.000 1.343 270 I CB -0.284 37.745 38.000 0.047 0.000 1.046 270 I HN 0.199 nan 8.210 nan 0.000 0.405 271 M N -0.527 119.202 119.600 0.215 0.000 2.562 271 M HA -0.062 4.418 4.480 -0.000 0.000 0.257 271 M C 1.847 178.179 176.300 0.053 0.000 1.099 271 M CA 1.094 56.563 55.300 0.281 0.000 1.099 271 M CB -0.313 32.433 32.600 0.244 0.000 1.427 271 M HN 0.223 nan 8.290 nan 0.000 0.489 272 T N -1.560 112.904 114.554 -0.149 0.000 2.983 272 T HA 0.021 4.371 4.350 -0.000 0.000 0.250 272 T C 1.478 175.924 174.700 -0.423 0.000 1.037 272 T CA 0.834 62.699 62.100 -0.392 0.000 1.142 272 T CB 0.044 68.543 68.868 -0.614 0.000 0.876 272 T HN 0.368 nan 8.240 nan 0.000 0.455 273 H N 0.053 119.112 119.070 -0.019 0.000 2.855 273 H HA 0.370 4.926 4.556 -0.000 0.000 0.259 273 H C 1.503 176.850 175.328 0.031 0.000 0.972 273 H CA -0.196 55.843 56.048 -0.015 0.000 1.213 273 H CB -0.428 29.347 29.762 0.022 0.000 1.451 273 H HN 0.300 nan 8.280 nan 0.000 0.484 274 G N 1.892 110.832 108.800 0.232 0.000 2.630 274 G HA2 0.210 4.169 3.960 -0.000 0.000 0.236 274 G HA3 0.210 4.169 3.960 -0.000 0.000 0.236 274 G C -0.090 174.883 174.900 0.121 0.000 1.248 274 G CA 0.186 45.495 45.100 0.348 0.000 0.844 274 G HN 0.393 nan 8.290 nan 0.000 0.588 275 D N -1.482 119.033 120.400 0.192 0.000 2.781 275 D HA 0.229 4.869 4.640 -0.000 0.000 0.295 275 D C 0.180 176.535 176.300 0.091 0.000 1.143 275 D CA -0.725 53.256 54.000 -0.031 0.000 1.076 275 D CB 0.207 41.001 40.800 -0.009 0.000 1.444 275 D HN 0.158 nan 8.370 nan 0.000 0.567 276 D N -1.067 119.331 120.400 -0.004 0.000 2.350 276 D HA -0.009 4.631 4.640 -0.000 0.000 0.216 276 D C 1.195 177.608 176.300 0.187 0.000 0.968 276 D CA 0.669 54.729 54.000 0.099 0.000 0.894 276 D CB 0.067 40.876 40.800 0.016 0.000 0.909 276 D HN 0.284 nan 8.370 nan 0.000 0.520 277 R N -0.689 119.903 120.500 0.152 0.000 2.362 277 R HA 0.371 4.711 4.340 -0.000 0.000 0.227 277 R C 0.959 177.315 176.300 0.094 0.000 0.905 277 R CA 0.283 56.451 56.100 0.113 0.000 1.067 277 R CB 1.019 31.364 30.300 0.075 0.000 1.078 277 R HN 0.119 nan 8.270 nan 0.000 0.516 278 G N 0.460 109.370 108.800 0.184 0.000 2.265 278 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.246 278 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.246 278 G C -1.011 173.983 174.900 0.157 0.000 1.299 278 G CA -1.052 44.106 45.100 0.097 0.000 1.117 278 G HN -0.008 nan 8.290 nan 0.000 0.485 279 L N -0.100 121.159 121.223 0.060 0.000 2.464 279 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 279 L C 0.178 177.129 176.870 0.135 0.000 1.199 279 L CA -0.666 54.236 54.840 0.104 0.000 0.818 279 L CB 1.123 43.224 42.059 0.070 0.000 1.102 279 L HN 0.397 nan 8.230 nan 0.000 0.473 280 V N 3.682 123.694 119.914 0.164 0.000 2.445 280 V HA 0.320 4.440 4.120 -0.000 0.000 0.283 280 V C -0.127 176.075 176.094 0.180 0.000 1.014 280 V CA -0.354 62.051 62.300 0.174 0.000 0.852 280 V CB 1.587 33.504 31.823 0.157 0.000 1.021 280 V HN 0.481 nan 8.190 nan 0.000 0.435 281 L N 7.026 128.341 121.223 0.152 0.000 2.312 281 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 281 L C -2.060 174.879 176.870 0.115 0.000 1.070 281 L CA -1.782 53.130 54.840 0.120 0.000 0.805 281 L CB 1.969 44.073 42.059 0.076 0.000 1.174 281 L HN 0.347 nan 8.230 nan 0.000 0.434 282 P HA 0.132 nan 4.420 nan 0.000 0.271 282 P C -2.329 175.038 177.300 0.112 0.000 1.220 282 P CA -1.479 61.702 63.100 0.136 0.000 0.768 282 P CB 0.606 32.413 31.700 0.179 0.000 0.848 283 P HA -0.119 nan 4.420 nan 0.000 0.217 283 P C 1.163 178.477 177.300 0.024 0.000 1.148 283 P CA 1.739 64.845 63.100 0.011 0.000 0.834 283 P CB -0.027 31.697 31.700 0.040 0.000 0.783 284 R N -1.461 119.071 120.500 0.053 0.000 2.310 284 R HA 0.201 4.541 4.340 -0.000 0.000 0.202 284 R C 1.484 177.862 176.300 0.131 0.000 0.933 284 R CA 0.468 56.594 56.100 0.044 0.000 1.054 284 R CB -0.146 30.098 30.300 -0.093 0.000 0.985 284 R HN 0.274 nan 8.270 nan 0.000 0.489 285 L N -0.774 120.516 121.223 0.111 0.000 3.039 285 L HA 0.354 4.694 4.340 -0.000 0.000 0.269 285 L C 0.320 177.197 176.870 0.011 0.000 1.169 285 L CA -0.423 54.466 54.840 0.082 0.000 0.986 285 L CB 0.631 42.776 42.059 0.144 0.000 1.377 285 L HN -0.026 nan 8.230 nan 0.000 0.575 286 A N 1.213 124.038 122.820 0.007 0.000 2.524 286 A HA 0.233 4.553 4.320 -0.000 0.000 0.250 286 A C -1.619 175.936 177.584 -0.049 0.000 1.078 286 A CA -0.800 51.220 52.037 -0.029 0.000 0.761 286 A CB 0.003 18.994 19.000 -0.015 0.000 1.012 286 A HN -0.012 nan 8.150 nan 0.000 0.500 287 P HA -0.072 nan 4.420 nan 0.000 0.216 287 P C -0.062 177.234 177.300 -0.007 0.000 1.150 287 P CA 1.200 64.257 63.100 -0.072 0.000 0.837 287 P CB 0.094 31.710 31.700 -0.139 0.000 0.786 288 I N -0.660 119.930 120.570 0.033 0.000 2.411 288 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 288 I C 1.119 177.229 176.117 -0.011 0.000 1.012 288 I CA -0.363 60.940 61.300 0.005 0.000 1.119 288 I CB 1.832 39.810 38.000 -0.036 0.000 1.261 288 I HN -0.163 nan 8.210 nan 0.000 0.448 289 Q N 3.641 123.427 119.800 -0.024 0.000 2.163 289 Q HA 0.131 4.471 4.340 -0.000 0.000 0.198 289 Q C -0.146 175.848 176.000 -0.009 0.000 0.954 289 Q CA 0.940 56.725 55.803 -0.031 0.000 0.851 289 Q CB 0.657 29.381 28.738 -0.023 0.000 0.928 289 Q HN 0.489 nan 8.270 nan 0.000 0.459 290 V N 0.643 120.546 119.914 -0.017 0.000 2.686 290 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 290 V C -1.125 174.929 176.094 -0.067 0.000 1.065 290 V CA -0.849 61.448 62.300 -0.004 0.000 0.894 290 V CB 2.217 34.037 31.823 -0.005 0.000 1.004 290 V HN -0.089 nan 8.190 nan 0.000 0.424 291 V N 6.510 126.365 119.914 -0.098 0.000 2.448 291 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 291 V C -0.464 175.570 176.094 -0.101 0.000 1.025 291 V CA -0.379 61.791 62.300 -0.217 0.000 0.859 291 V CB 1.605 33.106 31.823 -0.538 0.000 0.988 291 V HN 0.758 nan 8.190 nan 0.000 0.431 292 I N 7.090 127.595 120.570 -0.109 0.000 2.315 292 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 292 I C -0.485 175.639 176.117 0.011 0.000 1.006 292 I CA -0.602 60.683 61.300 -0.025 0.000 1.265 292 I CB 1.708 39.685 38.000 -0.039 0.000 1.387 292 I HN 0.279 nan 8.210 nan 0.000 0.475 293 V N 8.867 128.854 119.914 0.121 0.000 2.293 293 V HA 0.285 4.405 4.120 -0.000 0.000 0.275 293 V C -2.051 174.122 176.094 0.131 0.000 1.021 293 V CA -1.653 60.738 62.300 0.152 0.000 0.815 293 V CB 1.121 33.112 31.823 0.279 0.000 1.025 293 V HN 0.583 nan 8.190 nan 0.000 0.448 294 P HA 0.370 nan 4.420 nan 0.000 0.276 294 P C -0.713 176.615 177.300 0.047 0.000 1.235 294 P CA -0.014 63.172 63.100 0.144 0.000 0.772 294 P CB 1.435 33.276 31.700 0.235 0.000 0.871 295 I N 5.657 126.264 120.570 0.062 0.000 2.433 295 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 295 I C -0.190 175.934 176.117 0.011 0.000 1.001 295 I CA -0.769 60.484 61.300 -0.079 0.000 1.119 295 I CB 1.202 39.217 38.000 0.025 0.000 1.289 295 I HN 0.446 nan 8.210 nan 0.000 0.438 296 Y N 3.853 124.168 120.300 0.023 0.000 2.818 296 Y HA 0.659 5.209 4.550 -0.000 0.000 0.341 296 Y C -1.692 174.215 175.900 0.011 0.000 1.283 296 Y CA -1.568 56.542 58.100 0.018 0.000 1.075 296 Y CB 1.008 39.476 38.460 0.012 0.000 1.370 296 Y HN 0.293 nan 8.280 nan 0.000 0.448 297 K N 0.001 120.606 120.400 0.342 0.000 2.444 297 K HA 0.302 4.621 4.320 -0.000 0.000 0.252 297 K C -0.599 176.130 176.600 0.215 0.000 0.993 297 K CA -0.806 55.611 56.287 0.217 0.000 0.847 297 K CB 2.008 34.571 32.500 0.106 0.000 1.340 297 K HN 0.716 nan 8.250 nan 0.000 0.446 298 D N 1.618 122.099 120.400 0.135 0.000 2.200 298 D HA -0.278 4.362 4.640 -0.000 0.000 0.192 298 D C 1.444 177.762 176.300 0.029 0.000 1.008 298 D CA 2.134 56.177 54.000 0.072 0.000 0.872 298 D CB 0.180 41.007 40.800 0.045 0.000 0.923 298 D HN 0.672 nan 8.370 nan 0.000 0.447 299 E N -0.706 119.515 120.200 0.036 0.000 2.318 299 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 299 E C 1.570 178.175 176.600 0.007 0.000 0.998 299 E CA 0.698 57.107 56.400 0.014 0.000 0.859 299 E CB 0.117 29.828 29.700 0.018 0.000 0.812 299 E HN -0.018 nan 8.360 nan 0.000 0.492 300 S N 0.328 116.050 115.700 0.038 0.000 2.478 300 S HA 0.055 4.525 4.470 -0.000 0.000 0.222 300 S C 1.567 176.141 174.600 -0.044 0.000 1.008 300 S CA -0.159 58.065 58.200 0.039 0.000 0.928 300 S CB -0.106 63.162 63.200 0.114 0.000 0.781 300 S HN 0.190 nan 8.310 nan 0.000 0.518 301 R N 1.925 122.328 120.500 -0.161 0.000 2.206 301 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 301 R C 1.781 177.842 176.300 -0.397 0.000 1.117 301 R CA 2.037 57.777 56.100 -0.600 0.000 0.915 301 R CB -0.676 29.324 30.300 -0.500 0.000 0.888 301 R HN 0.376 nan 8.270 nan 0.000 0.432 302 E N 0.146 120.214 120.200 -0.219 0.000 2.049 302 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 302 E C 2.215 178.753 176.600 -0.103 0.000 1.007 302 E CA 1.426 57.740 56.400 -0.143 0.000 0.809 302 E CB -0.378 29.268 29.700 -0.090 0.000 0.749 302 E HN 0.414 nan 8.360 nan 0.000 0.450 303 R N 0.306 120.763 120.500 -0.072 0.000 2.080 303 R HA -0.109 4.231 4.340 -0.000 0.000 0.236 303 R C 2.608 178.894 176.300 -0.023 0.000 1.137 303 R CA 1.476 57.555 56.100 -0.035 0.000 0.943 303 R CB -0.537 29.756 30.300 -0.013 0.000 0.846 303 R HN 0.030 nan 8.270 nan 0.000 0.431 304 V N 1.489 121.394 119.914 -0.015 0.000 2.295 304 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 304 V C 2.317 178.421 176.094 0.017 0.000 1.049 304 V CA 1.709 64.032 62.300 0.038 0.000 1.024 304 V CB -0.463 31.448 31.823 0.148 0.000 0.648 304 V HN 0.302 nan 8.190 nan 0.000 0.447 305 L N -0.266 120.923 121.223 -0.057 0.000 2.131 305 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 305 L C 2.585 179.436 176.870 -0.033 0.000 1.092 305 L CA 1.704 56.516 54.840 -0.048 0.000 0.759 305 L CB -0.505 41.480 42.059 -0.122 0.000 0.903 305 L HN 0.452 nan 8.230 nan 0.000 0.435 306 E N 0.362 120.539 120.200 -0.039 0.000 2.047 306 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 306 E C 2.232 178.823 176.600 -0.014 0.000 0.987 306 E CA 1.199 57.583 56.400 -0.028 0.000 0.799 306 E CB 0.022 29.705 29.700 -0.029 0.000 0.752 306 E HN 0.460 nan 8.360 nan 0.000 0.449 307 A N 0.971 123.787 122.820 -0.005 0.000 1.969 307 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 307 A C 2.309 179.895 177.584 0.004 0.000 1.169 307 A CA 1.507 53.545 52.037 0.002 0.000 0.635 307 A CB -0.531 18.476 19.000 0.012 0.000 0.810 307 A HN 0.389 nan 8.150 nan 0.000 0.445 308 A N -0.464 122.362 122.820 0.011 0.000 1.902 308 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 308 A C 2.112 179.691 177.584 -0.008 0.000 1.181 308 A CA 1.675 53.718 52.037 0.010 0.000 0.623 308 A CB -0.563 18.453 19.000 0.027 0.000 0.818 308 A HN 0.627 nan 8.150 nan 0.000 0.443 309 Q N -0.759 119.034 119.800 -0.012 0.000 2.119 309 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 309 Q C 2.177 178.167 176.000 -0.017 0.000 0.972 309 Q CA 1.158 56.950 55.803 -0.018 0.000 0.847 309 Q CB -0.419 28.307 28.738 -0.019 0.000 0.903 309 Q HN 0.683 nan 8.270 nan 0.000 0.433 310 G N 0.949 109.741 108.800 -0.014 0.000 2.422 310 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 310 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 310 G C 1.361 176.252 174.900 -0.015 0.000 1.146 310 G CA 0.553 45.645 45.100 -0.013 0.000 0.769 310 G HN 0.249 nan 8.290 nan 0.000 0.547 311 L N 0.540 121.754 121.223 -0.014 0.000 2.093 311 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 311 L C 2.645 179.500 176.870 -0.024 0.000 1.085 311 L CA 1.727 56.556 54.840 -0.017 0.000 0.755 311 L CB -0.504 41.547 42.059 -0.013 0.000 0.904 311 L HN 0.161 nan 8.230 nan 0.000 0.435 312 R N -0.868 119.617 120.500 -0.026 0.000 2.083 312 R HA -0.176 4.163 4.340 -0.000 0.000 0.237 312 R C 2.145 178.430 176.300 -0.024 0.000 1.137 312 R CA 1.733 57.815 56.100 -0.031 0.000 0.951 312 R CB -0.209 30.070 30.300 -0.036 0.000 0.851 312 R HN 0.482 nan 8.270 nan 0.000 0.434 313 Q N -0.131 119.657 119.800 -0.020 0.000 2.084 313 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 313 Q C 2.029 178.018 176.000 -0.019 0.000 0.978 313 Q CA 1.620 57.412 55.803 -0.018 0.000 0.844 313 Q CB -0.370 28.359 28.738 -0.015 0.000 0.898 313 Q HN 0.416 nan 8.270 nan 0.000 0.426 314 A N 0.792 123.599 122.820 -0.021 0.000 1.902 314 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 314 A C 2.246 179.813 177.584 -0.027 0.000 1.181 314 A CA 1.029 53.053 52.037 -0.023 0.000 0.623 314 A CB -0.625 18.361 19.000 -0.023 0.000 0.818 314 A HN 0.306 nan 8.150 nan 0.000 0.443 315 L N -0.787 120.418 121.223 -0.030 0.000 2.072 315 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 315 L C 2.522 179.374 176.870 -0.030 0.000 1.079 315 L CA 0.834 55.652 54.840 -0.035 0.000 0.752 315 L CB -0.586 41.450 42.059 -0.039 0.000 0.906 315 L HN 0.353 nan 8.230 nan 0.000 0.436 316 L N -0.031 121.177 121.223 -0.024 0.000 2.079 316 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 316 L C 2.849 179.707 176.870 -0.020 0.000 1.081 316 L CA 1.159 55.988 54.840 -0.019 0.000 0.752 316 L CB -0.695 41.356 42.059 -0.014 0.000 0.896 316 L HN 0.251 nan 8.230 nan 0.000 0.433 317 A N -1.047 121.761 122.820 -0.020 0.000 2.019 317 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 317 A C 2.107 179.678 177.584 -0.023 0.000 1.164 317 A CA 1.135 53.161 52.037 -0.020 0.000 0.644 317 A CB -0.244 18.745 19.000 -0.019 0.000 0.805 317 A HN 0.381 nan 8.150 nan 0.000 0.449 318 Q N -1.327 118.457 119.800 -0.027 0.000 2.444 318 Q HA 0.128 4.468 4.340 -0.000 0.000 0.206 318 Q C 1.183 177.165 176.000 -0.030 0.000 0.948 318 Q CA 0.751 56.535 55.803 -0.031 0.000 0.946 318 Q CB -0.046 28.668 28.738 -0.039 0.000 1.027 318 Q HN 0.967 nan 8.270 nan 0.000 0.513 319 G N 0.781 109.565 108.800 -0.026 0.000 2.137 319 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 319 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 319 G C -0.015 174.869 174.900 -0.026 0.000 1.002 319 G CA 0.054 45.139 45.100 -0.024 0.000 0.702 319 G HN 0.274 nan 8.290 nan 0.000 0.515 320 L N -0.369 120.837 121.223 -0.029 0.000 2.379 320 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 320 L C 1.148 178.004 176.870 -0.023 0.000 1.084 320 L CA -0.955 53.867 54.840 -0.030 0.000 0.802 320 L CB 1.004 43.040 42.059 -0.039 0.000 1.175 320 L HN 0.046 nan 8.230 nan 0.000 0.448 321 R N 1.894 122.382 120.500 -0.021 0.000 2.419 321 R HA 0.300 4.640 4.340 -0.000 0.000 0.305 321 R C -0.673 175.620 176.300 -0.013 0.000 1.242 321 R CA -0.244 55.848 56.100 -0.014 0.000 1.105 321 R CB 0.944 31.235 30.300 -0.015 0.000 1.116 321 R HN 0.326 nan 8.270 nan 0.000 0.523 322 V N 3.043 122.952 119.914 -0.008 0.000 2.547 322 V HA 0.315 4.435 4.120 -0.000 0.000 0.299 322 V C -1.091 175.015 176.094 0.020 0.000 1.040 322 V CA -0.727 61.565 62.300 -0.013 0.000 0.913 322 V CB 1.628 33.434 31.823 -0.029 0.000 0.992 322 V HN 0.728 nan 8.190 nan 0.000 0.449 323 H N 5.290 124.278 119.070 -0.136 0.000 2.589 323 H HA 0.623 5.179 4.556 -0.000 0.000 0.351 323 H C -1.239 173.995 175.328 -0.156 0.000 1.074 323 H CA -0.672 55.281 56.048 -0.159 0.000 1.203 323 H CB 1.755 31.354 29.762 -0.272 0.000 1.558 323 H HN 0.721 nan 8.280 nan 0.000 0.522 324 L N 4.583 125.428 121.223 -0.629 0.000 2.265 324 L HA 0.308 4.648 4.340 -0.000 0.000 0.289 324 L C -0.530 175.954 176.870 -0.642 0.000 1.033 324 L CA -0.330 54.233 54.840 -0.462 0.000 0.814 324 L CB 0.902 42.834 42.059 -0.211 0.000 1.203 324 L HN 0.710 nan 8.230 nan 0.000 0.423 325 D N 3.502 123.676 120.400 -0.377 0.000 2.517 325 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 325 D C 0.436 176.765 176.300 0.049 0.000 1.158 325 D CA 0.115 54.079 54.000 -0.060 0.000 0.992 325 D CB 0.438 41.401 40.800 0.272 0.000 1.058 325 D HN 0.615 nan 8.370 nan 0.000 0.516 326 D N 1.962 122.380 120.400 0.031 0.000 2.219 326 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 326 D C 0.367 176.733 176.300 0.109 0.000 0.970 326 D CA 0.366 54.412 54.000 0.076 0.000 0.851 326 D CB 0.178 41.008 40.800 0.050 0.000 0.943 326 D HN 0.373 nan 8.370 nan 0.000 0.488 327 R N 1.815 122.386 120.500 0.119 0.000 3.853 327 R HA -0.137 4.203 4.340 -0.000 0.000 0.254 327 R C 0.570 176.899 176.300 0.049 0.000 0.565 327 R CA 0.064 56.220 56.100 0.094 0.000 1.000 327 R CB -0.034 30.366 30.300 0.166 0.000 0.943 327 R HN 0.118 nan 8.270 nan 0.000 0.331 328 D N 2.534 122.949 120.400 0.025 0.000 2.317 328 D HA -0.124 4.515 4.640 -0.000 0.000 0.211 328 D C 1.607 177.857 176.300 -0.084 0.000 0.966 328 D CA 0.897 54.910 54.000 0.021 0.000 0.876 328 D CB 0.415 41.253 40.800 0.063 0.000 0.927 328 D HN 0.666 nan 8.370 nan 0.000 0.519 329 Q N -1.142 118.544 119.800 -0.190 0.000 2.488 329 Q HA -0.032 4.308 4.340 -0.000 0.000 0.211 329 Q C -0.079 175.595 176.000 -0.543 0.000 0.967 329 Q CA 0.796 56.380 55.803 -0.365 0.000 0.926 329 Q CB 0.047 28.495 28.738 -0.483 0.000 0.992 329 Q HN 0.270 nan 8.270 nan 0.000 0.506 330 H N 0.883 119.827 119.070 -0.210 0.000 2.690 330 H HA 0.269 4.824 4.556 -0.000 0.000 0.368 330 H C -0.205 175.014 175.328 -0.182 0.000 1.150 330 H CA -0.269 55.593 56.048 -0.311 0.000 1.174 330 H CB 1.832 31.323 29.762 -0.452 0.000 1.684 330 H HN 0.254 nan 8.280 nan 0.000 0.538 331 T N -0.526 114.026 114.554 -0.002 0.000 2.828 331 T HA 0.113 4.463 4.350 -0.000 0.000 0.290 331 T C -1.759 172.877 174.700 -0.107 0.000 1.019 331 T CA -1.474 60.592 62.100 -0.057 0.000 1.031 331 T CB 1.157 70.007 68.868 -0.029 0.000 1.001 331 T HN 0.212 nan 8.240 nan 0.000 0.531 332 P HA 0.059 nan 4.420 nan 0.000 0.217 332 P C 1.811 178.657 177.300 -0.756 0.000 1.150 332 P CA 1.077 63.841 63.100 -0.559 0.000 0.832 332 P CB -0.392 31.020 31.700 -0.479 0.000 0.787 333 G N -1.246 107.383 108.800 -0.285 0.000 2.422 333 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 333 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 333 G C 1.563 176.453 174.900 -0.018 0.000 1.146 333 G CA 0.504 45.569 45.100 -0.059 0.000 0.769 333 G HN 0.257 nan 8.290 nan 0.000 0.547 334 Y N 1.446 121.656 120.300 -0.149 0.000 2.163 334 Y HA -0.050 4.499 4.550 -0.000 0.000 0.288 334 Y C 2.836 178.613 175.900 -0.204 0.000 1.136 334 Y CA 2.108 60.118 58.100 -0.151 0.000 1.147 334 Y CB -0.033 38.322 38.460 -0.174 0.000 0.987 334 Y HN 0.123 nan 8.280 nan 0.000 0.509 335 K N -0.522 119.874 120.400 -0.006 0.000 2.026 335 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 335 K C 1.759 178.365 176.600 0.009 0.000 1.048 335 K CA 1.739 57.987 56.287 -0.064 0.000 0.929 335 K CB -0.468 32.071 32.500 0.066 0.000 0.713 335 K HN 0.229 nan 8.250 nan 0.000 0.439 336 F N 0.855 120.870 119.950 0.107 0.000 2.095 336 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 336 F C 2.488 178.305 175.800 0.029 0.000 1.104 336 F CA 1.248 59.321 58.000 0.121 0.000 1.232 336 F CB -1.242 37.820 39.000 0.103 0.000 0.987 336 F HN 0.281 nan 8.300 nan 0.000 0.475 337 H N 0.206 119.298 119.070 0.036 0.000 2.321 337 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 337 H C 2.289 177.464 175.328 -0.256 0.000 1.087 337 H CA 1.851 57.832 56.048 -0.112 0.000 1.319 337 H CB -0.099 29.545 29.762 -0.196 0.000 1.379 337 H HN 0.426 nan 8.280 nan 0.000 0.501 338 E N 0.254 120.114 120.200 -0.568 0.000 2.051 338 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 338 E C 1.994 178.202 176.600 -0.652 0.000 0.991 338 E CA 1.495 57.410 56.400 -0.809 0.000 0.799 338 E CB -0.364 28.668 29.700 -1.113 0.000 0.748 338 E HN 0.571 nan 8.360 nan 0.000 0.449 339 W N 1.049 122.259 121.300 -0.151 0.000 2.525 339 W HA -0.025 4.635 4.660 -0.000 0.000 0.259 339 W C 2.251 178.718 176.519 -0.087 0.000 1.253 339 W CA 0.523 57.808 57.345 -0.100 0.000 1.262 339 W CB 0.077 29.544 29.460 0.011 0.000 1.122 339 W HN 0.312 nan 8.180 nan 0.000 0.607 340 E N 1.052 121.271 120.200 0.032 0.000 2.051 340 E HA -0.168 4.182 4.350 -0.000 0.000 0.189 340 E C 2.056 178.610 176.600 -0.077 0.000 0.979 340 E CA 0.918 57.319 56.400 0.000 0.000 0.803 340 E CB -0.385 29.306 29.700 -0.015 0.000 0.761 340 E HN 0.245 nan 8.360 nan 0.000 0.451 341 L N 0.773 121.846 121.223 -0.250 0.000 2.042 341 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 341 L C 2.315 179.102 176.870 -0.138 0.000 1.076 341 L CA 1.416 56.102 54.840 -0.256 0.000 0.749 341 L CB -0.177 41.623 42.059 -0.432 0.000 0.893 341 L HN 0.084 nan 8.230 nan 0.000 0.432 342 K N -0.141 120.180 120.400 -0.131 0.000 2.525 342 K HA 0.062 4.382 4.320 -0.000 0.000 0.192 342 K C 1.003 177.724 176.600 0.202 0.000 1.029 342 K CA 0.534 56.815 56.287 -0.011 0.000 1.029 342 K CB 0.011 32.325 32.500 -0.310 0.000 0.814 342 K HN 0.429 nan 8.250 nan 0.000 0.503 343 G N 1.665 110.540 108.800 0.126 0.000 2.249 343 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 343 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 343 G C 0.118 175.099 174.900 0.136 0.000 1.036 343 G CA -0.000 45.184 45.100 0.141 0.000 0.824 343 G HN 0.142 nan 8.290 nan 0.000 0.504 344 V N 0.473 120.477 119.914 0.150 0.000 2.529 344 V HA 0.096 4.216 4.120 -0.000 0.000 0.292 344 V C 0.108 176.150 176.094 -0.087 0.000 1.028 344 V CA -0.282 62.060 62.300 0.071 0.000 1.074 344 V CB 1.171 33.052 31.823 0.098 0.000 0.958 344 V HN 0.184 nan 8.190 nan 0.000 0.481 345 P HA -0.106 nan 4.420 nan 0.000 0.213 345 P C -0.076 176.726 177.300 -0.829 0.000 1.170 345 P CA 1.468 64.043 63.100 -0.874 0.000 0.902 345 P CB 0.169 31.167 31.700 -1.169 0.000 0.789 346 F N -1.886 117.940 119.950 -0.206 0.000 2.563 346 F HA 0.475 5.002 4.527 -0.000 0.000 0.316 346 F C 0.679 176.450 175.800 -0.049 0.000 1.076 346 F CA -1.008 56.939 58.000 -0.088 0.000 0.921 346 F CB 1.841 40.786 39.000 -0.092 0.000 1.209 346 F HN -0.338 nan 8.300 nan 0.000 0.462 347 R N 0.637 121.244 120.500 0.178 0.000 2.628 347 R HA 0.852 5.192 4.340 -0.000 0.000 0.288 347 R C -2.430 173.936 176.300 0.111 0.000 0.980 347 R CA -0.837 55.335 56.100 0.120 0.000 0.891 347 R CB 1.730 32.111 30.300 0.135 0.000 1.188 347 R HN 0.423 nan 8.270 nan 0.000 0.450 348 V N 2.909 122.881 119.914 0.097 0.000 2.370 348 V HA 0.270 4.390 4.120 -0.000 0.000 0.283 348 V C -0.327 175.844 176.094 0.128 0.000 1.023 348 V CA -0.669 61.680 62.300 0.081 0.000 0.857 348 V CB 1.460 33.312 31.823 0.047 0.000 0.985 348 V HN 0.815 nan 8.190 nan 0.000 0.443 349 E N 5.157 125.426 120.200 0.115 0.000 2.081 349 E HA 0.400 4.749 4.350 -0.000 0.000 0.281 349 E C -0.690 175.991 176.600 0.135 0.000 0.986 349 E CA -0.311 56.205 56.400 0.193 0.000 0.796 349 E CB 1.882 31.665 29.700 0.138 0.000 1.085 349 E HN 0.495 nan 8.360 nan 0.000 0.398 350 L N 3.632 124.938 121.223 0.138 0.000 2.335 350 L HA 0.445 4.785 4.340 -0.000 0.000 0.268 350 L C -0.014 176.924 176.870 0.113 0.000 1.037 350 L CA -0.350 54.552 54.840 0.103 0.000 0.895 350 L CB 0.476 42.586 42.059 0.085 0.000 1.266 350 L HN 0.574 nan 8.230 nan 0.000 0.439 351 G N 3.280 112.141 108.800 0.101 0.000 2.491 351 G HA2 0.453 4.413 3.960 -0.000 0.000 0.327 351 G HA3 0.453 4.413 3.960 -0.000 0.000 0.327 351 G C -2.357 172.594 174.900 0.085 0.000 1.189 351 G CA -1.203 43.956 45.100 0.098 0.000 0.956 351 G HN 0.387 nan 8.290 nan 0.000 0.491 352 P HA -0.080 nan 4.420 nan 0.000 0.213 352 P C 1.702 179.033 177.300 0.052 0.000 1.170 352 P CA 1.491 64.634 63.100 0.071 0.000 0.898 352 P CB 0.194 31.939 31.700 0.075 0.000 0.787 353 K N -0.356 120.073 120.400 0.048 0.000 1.987 353 K HA -0.193 4.126 4.320 -0.000 0.000 0.216 353 K C 1.905 178.525 176.600 0.034 0.000 1.051 353 K CA 1.937 58.246 56.287 0.038 0.000 0.942 353 K CB -0.963 31.559 32.500 0.036 0.000 0.722 353 K HN 0.129 nan 8.250 nan 0.000 0.444 354 D N 0.897 121.319 120.400 0.038 0.000 2.149 354 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 354 D C 1.877 178.195 176.300 0.030 0.000 0.990 354 D CA 0.829 54.849 54.000 0.033 0.000 0.839 354 D CB -0.204 40.618 40.800 0.037 0.000 0.948 354 D HN 0.040 nan 8.370 nan 0.000 0.460 355 L N 1.533 122.778 121.223 0.036 0.000 2.131 355 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 355 L C 1.854 178.738 176.870 0.023 0.000 1.092 355 L CA 1.591 56.449 54.840 0.031 0.000 0.759 355 L CB -0.414 41.668 42.059 0.038 0.000 0.903 355 L HN -0.034 nan 8.230 nan 0.000 0.435 356 E N -0.464 119.750 120.200 0.024 0.000 2.118 356 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 356 E C 1.791 178.399 176.600 0.014 0.000 0.992 356 E CA 1.075 57.486 56.400 0.018 0.000 0.804 356 E CB -0.434 29.277 29.700 0.019 0.000 0.741 356 E HN 0.650 nan 8.360 nan 0.000 0.458 357 G N -0.092 108.717 108.800 0.015 0.000 3.233 357 G HA2 0.220 4.180 3.960 -0.000 0.000 0.227 357 G HA3 0.220 4.180 3.960 -0.000 0.000 0.227 357 G C 0.919 175.825 174.900 0.010 0.000 1.175 357 G CA 0.121 45.229 45.100 0.012 0.000 0.781 357 G HN 0.356 nan 8.290 nan 0.000 0.542 358 G N -0.645 108.162 108.800 0.011 0.000 2.221 358 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 358 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 358 G C 0.134 175.039 174.900 0.009 0.000 1.041 358 G CA 0.544 45.649 45.100 0.009 0.000 0.807 358 G HN 0.639 nan 8.290 nan 0.000 0.502 359 Q N -1.326 118.483 119.800 0.014 0.000 2.633 359 Q HA 0.881 5.221 4.340 -0.000 0.000 0.292 359 Q C -0.153 175.859 176.000 0.021 0.000 1.089 359 Q CA -0.468 55.344 55.803 0.014 0.000 0.811 359 Q CB 2.294 31.040 28.738 0.013 0.000 1.472 359 Q HN 1.153 nan 8.270 nan 0.000 0.464 360 A N 0.097 122.929 122.820 0.020 0.000 2.608 360 A HA 0.589 4.908 4.320 -0.000 0.000 0.292 360 A C -1.503 176.096 177.584 0.025 0.000 1.066 360 A CA -0.547 51.507 52.037 0.030 0.000 0.676 360 A CB 1.293 20.312 19.000 0.031 0.000 1.277 360 A HN 0.323 nan 8.150 nan 0.000 0.413 361 V N 1.340 121.273 119.914 0.031 0.000 2.432 361 V HA 0.453 4.572 4.120 -0.000 0.000 0.275 361 V C -0.392 175.716 176.094 0.024 0.000 1.043 361 V CA -0.263 62.048 62.300 0.019 0.000 0.925 361 V CB 1.037 32.862 31.823 0.003 0.000 0.985 361 V HN 0.762 nan 8.190 nan 0.000 0.466 362 L N 5.764 127.007 121.223 0.033 0.000 2.287 362 L HA 0.837 5.177 4.340 -0.000 0.000 0.287 362 L C 0.144 177.081 176.870 0.112 0.000 1.022 362 L CA -0.038 54.844 54.840 0.070 0.000 0.814 362 L CB 0.996 43.081 42.059 0.043 0.000 1.217 362 L HN 0.716 nan 8.230 nan 0.000 0.420 363 A N 3.514 126.414 122.820 0.133 0.000 2.331 363 A HA 0.717 5.037 4.320 -0.000 0.000 0.320 363 A C -0.471 177.203 177.584 0.151 0.000 1.138 363 A CA -0.472 51.624 52.037 0.098 0.000 0.790 363 A CB 1.296 20.274 19.000 -0.036 0.000 1.206 363 A HN 0.703 nan 8.150 nan 0.000 0.470 364 S N 0.555 116.311 115.700 0.093 0.000 2.554 364 S HA 0.350 4.820 4.470 -0.000 0.000 0.278 364 S C 1.149 175.716 174.600 -0.056 0.000 1.242 364 S CA -0.515 57.624 58.200 -0.103 0.000 1.051 364 S CB 0.942 64.156 63.200 0.024 0.000 0.986 364 S HN 0.751 nan 8.310 nan 0.000 0.502 365 R N 3.078 123.552 120.500 -0.043 0.000 2.237 365 R HA 0.140 4.480 4.340 -0.000 0.000 0.219 365 R C 1.250 177.573 176.300 0.038 0.000 1.080 365 R CA 1.291 57.419 56.100 0.046 0.000 0.995 365 R CB -0.767 29.601 30.300 0.112 0.000 0.875 365 R HN 0.623 nan 8.270 nan 0.000 0.462 366 L N -0.417 120.798 121.223 -0.013 0.000 2.552 366 L HA 0.319 4.659 4.340 -0.000 0.000 0.227 366 L C 0.451 177.282 176.870 -0.065 0.000 1.146 366 L CA 1.201 55.967 54.840 -0.124 0.000 0.858 366 L CB -0.382 41.492 42.059 -0.309 0.000 0.969 366 L HN 0.448 nan 8.230 nan 0.000 0.451 367 G N -1.631 107.152 108.800 -0.028 0.000 2.911 367 G HA2 0.461 4.420 3.960 -0.000 0.000 0.686 367 G HA3 0.461 4.420 3.960 -0.000 0.000 0.686 367 G C -0.049 174.851 174.900 0.000 0.000 1.136 367 G CA -0.426 44.666 45.100 -0.014 0.000 0.764 367 G HN 0.757 nan 8.290 nan 0.000 0.626 368 G N 0.840 109.645 108.800 0.009 0.000 3.233 368 G HA2 0.588 4.548 3.960 -0.000 0.000 0.686 368 G HA3 0.588 4.548 3.960 -0.000 0.000 0.686 368 G C -0.468 174.459 174.900 0.045 0.000 1.153 368 G CA 0.380 45.496 45.100 0.026 0.000 0.853 368 G HN 2.135 nan 8.290 nan 0.000 0.582 369 K N 0.490 120.911 120.400 0.034 0.000 2.509 369 K HA 0.920 5.239 4.320 -0.000 0.000 0.266 369 K C -0.405 176.215 176.600 0.033 0.000 0.987 369 K CA -0.826 55.484 56.287 0.039 0.000 0.868 369 K CB 2.717 35.217 32.500 -0.001 0.000 1.421 369 K HN 1.052 nan 8.250 nan 0.000 0.444 370 E N 0.179 120.399 120.200 0.034 0.000 2.401 370 E HA 0.234 4.584 4.350 -0.000 0.000 0.280 370 E C -1.462 175.149 176.600 0.019 0.000 1.039 370 E CA -1.005 55.410 56.400 0.025 0.000 0.814 370 E CB 1.788 31.505 29.700 0.028 0.000 1.275 370 E HN 0.461 nan 8.360 nan 0.000 0.448 371 T N 2.183 116.746 114.554 0.015 0.000 2.817 371 T HA 0.497 4.846 4.350 -0.000 0.000 0.293 371 T C -0.268 174.437 174.700 0.009 0.000 0.964 371 T CA -0.218 61.890 62.100 0.013 0.000 1.085 371 T CB 0.097 68.973 68.868 0.013 0.000 0.921 371 T HN 0.281 nan 8.240 nan 0.000 0.502 372 L N 4.741 125.967 121.223 0.006 0.000 2.376 372 L HA 0.531 4.871 4.340 -0.000 0.000 0.258 372 L C -2.359 174.510 176.870 -0.002 0.000 1.013 372 L CA -2.834 52.005 54.840 -0.002 0.000 0.822 372 L CB 2.681 44.733 42.059 -0.011 0.000 1.388 372 L HN 0.347 nan 8.230 nan 0.000 0.413 373 P HA 0.137 nan 4.420 nan 0.000 0.276 373 P C 0.651 177.946 177.300 -0.009 0.000 1.235 373 P CA -0.210 62.887 63.100 -0.005 0.000 0.772 373 P CB 1.139 32.835 31.700 -0.006 0.000 0.871 374 L N 3.010 124.230 121.223 -0.005 0.000 2.127 374 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 374 L C 2.495 179.357 176.870 -0.014 0.000 1.089 374 L CA 2.032 56.867 54.840 -0.008 0.000 0.757 374 L CB -0.810 41.248 42.059 -0.001 0.000 0.899 374 L HN 0.390 nan 8.230 nan 0.000 0.434 375 A N -0.626 122.187 122.820 -0.012 0.000 2.121 375 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 375 A C 2.325 179.897 177.584 -0.020 0.000 1.154 375 A CA 1.429 53.457 52.037 -0.015 0.000 0.679 375 A CB -0.412 18.581 19.000 -0.011 0.000 0.795 375 A HN 0.400 nan 8.150 nan 0.000 0.458 376 A N -1.324 121.483 122.820 -0.023 0.000 2.169 376 A HA 0.351 4.671 4.320 -0.000 0.000 0.210 376 A C 1.747 179.306 177.584 -0.042 0.000 1.168 376 A CA 0.457 52.477 52.037 -0.029 0.000 0.813 376 A CB -0.271 18.714 19.000 -0.025 0.000 0.861 376 A HN 0.320 nan 8.150 nan 0.000 0.481 377 L N 0.537 121.733 121.223 -0.045 0.000 2.013 377 L HA -0.096 4.243 4.340 -0.000 0.000 0.212 377 L C -0.612 176.214 176.870 -0.073 0.000 1.073 377 L CA 2.370 57.171 54.840 -0.065 0.000 0.753 377 L CB -1.431 40.595 42.059 -0.055 0.000 0.890 377 L HN 0.172 nan 8.230 nan 0.000 0.432 378 P HA -0.201 nan 4.420 nan 0.000 0.216 378 P C 1.556 178.822 177.300 -0.058 0.000 1.153 378 P CA 1.311 64.378 63.100 -0.055 0.000 0.858 378 P CB 0.039 31.715 31.700 -0.040 0.000 0.789 379 E N -0.419 119.750 120.200 -0.052 0.000 2.230 379 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 379 E C 1.756 178.321 176.600 -0.059 0.000 0.987 379 E CA 1.006 57.377 56.400 -0.048 0.000 0.841 379 E CB -0.288 29.390 29.700 -0.037 0.000 0.783 379 E HN 0.071 nan 8.360 nan 0.000 0.481 380 A N 0.924 123.700 122.820 -0.073 0.000 1.975 380 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 380 A C 2.336 179.839 177.584 -0.136 0.000 1.170 380 A CA 0.261 52.245 52.037 -0.089 0.000 0.656 380 A CB -0.439 18.509 19.000 -0.088 0.000 0.821 380 A HN 0.248 nan 8.150 nan 0.000 0.449 381 L N -0.280 120.843 121.223 -0.165 0.000 2.042 381 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 381 L C -0.494 176.266 176.870 -0.183 0.000 1.076 381 L CA 1.664 56.359 54.840 -0.242 0.000 0.749 381 L CB -1.329 40.599 42.059 -0.218 0.000 0.893 381 L HN 0.232 nan 8.230 nan 0.000 0.432 382 P HA -0.176 nan 4.420 nan 0.000 0.215 382 P C 1.529 178.796 177.300 -0.055 0.000 1.157 382 P CA 1.881 64.937 63.100 -0.074 0.000 0.874 382 P CB -0.209 31.456 31.700 -0.059 0.000 0.790 383 G N -0.220 108.547 108.800 -0.055 0.000 2.422 383 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 383 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 383 G C 1.485 176.384 174.900 -0.002 0.000 1.146 383 G CA 0.633 45.718 45.100 -0.025 0.000 0.769 383 G HN 0.272 nan 8.290 nan 0.000 0.547 384 K N -0.406 119.953 120.400 -0.067 0.000 2.097 384 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 384 K C 2.358 179.048 176.600 0.150 0.000 1.050 384 K CA 0.357 56.615 56.287 -0.048 0.000 0.938 384 K CB -0.168 32.095 32.500 -0.396 0.000 0.718 384 K HN 0.132 nan 8.250 nan 0.000 0.442 385 L N 1.794 123.058 121.223 0.068 0.000 2.017 385 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 385 L C 1.782 178.791 176.870 0.231 0.000 1.073 385 L CA 1.824 56.786 54.840 0.203 0.000 0.745 385 L CB -1.077 41.015 42.059 0.055 0.000 0.894 385 L HN 0.178 nan 8.230 nan 0.000 0.432 386 D N -0.198 120.279 120.400 0.127 0.000 2.123 386 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 386 D C 2.198 178.619 176.300 0.202 0.000 0.992 386 D CA 1.529 55.599 54.000 0.117 0.000 0.833 386 D CB 0.092 40.916 40.800 0.040 0.000 0.954 386 D HN 0.281 nan 8.370 nan 0.000 0.455 387 A N 0.026 122.963 122.820 0.195 0.000 1.930 387 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 387 A C 2.130 179.856 177.584 0.236 0.000 1.175 387 A CA 0.835 52.984 52.037 0.187 0.000 0.627 387 A CB -0.948 18.147 19.000 0.159 0.000 0.815 387 A HN 0.266 nan 8.150 nan 0.000 0.443 388 F N -0.082 119.970 119.950 0.170 0.000 2.102 388 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 388 F C 2.291 178.130 175.800 0.065 0.000 1.105 388 F CA 2.310 60.382 58.000 0.121 0.000 1.239 388 F CB -0.319 38.788 39.000 0.178 0.000 0.991 388 F HN 0.525 nan 8.300 nan 0.000 0.474 389 H N 0.075 119.334 119.070 0.315 0.000 2.290 389 H HA -0.161 4.395 4.556 -0.000 0.000 0.298 389 H C 2.162 177.546 175.328 0.093 0.000 1.087 389 H CA 2.283 58.429 56.048 0.163 0.000 1.291 389 H CB -0.311 29.502 29.762 0.085 0.000 1.369 389 H HN 0.170 nan 8.280 nan 0.000 0.492 390 E N 0.173 120.438 120.200 0.108 0.000 2.097 390 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 390 E C 2.247 178.850 176.600 0.006 0.000 1.000 390 E CA 1.484 57.924 56.400 0.067 0.000 0.804 390 E CB -0.250 29.529 29.700 0.132 0.000 0.740 390 E HN 0.618 nan 8.360 nan 0.000 0.454 391 E N 0.861 121.038 120.200 -0.037 0.000 2.150 391 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 391 E C 2.178 178.693 176.600 -0.142 0.000 0.985 391 E CA 0.567 56.910 56.400 -0.094 0.000 0.814 391 E CB -0.268 29.340 29.700 -0.153 0.000 0.752 391 E HN 0.197 nan 8.360 nan 0.000 0.466 392 L N -0.449 120.648 121.223 -0.211 0.000 2.027 392 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 392 L C 2.299 179.149 176.870 -0.033 0.000 1.074 392 L CA 1.478 56.185 54.840 -0.222 0.000 0.745 392 L CB -0.601 41.201 42.059 -0.428 0.000 0.898 392 L HN 0.255 nan 8.230 nan 0.000 0.433 393 Y N 0.822 121.000 120.300 -0.202 0.000 2.145 393 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 393 Y C 2.912 178.797 175.900 -0.025 0.000 1.145 393 Y CA 1.628 59.669 58.100 -0.099 0.000 1.148 393 Y CB -0.343 38.004 38.460 -0.188 0.000 0.981 393 Y HN -0.002 nan 8.280 nan 0.000 0.507 394 R N 0.309 120.792 120.500 -0.028 0.000 2.083 394 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 394 R C 2.364 178.619 176.300 -0.075 0.000 1.137 394 R CA 1.984 58.039 56.100 -0.076 0.000 0.951 394 R CB -0.223 30.069 30.300 -0.014 0.000 0.851 394 R HN 0.357 nan 8.270 nan 0.000 0.434 395 R N -0.231 120.242 120.500 -0.046 0.000 2.081 395 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 395 R C 2.349 178.661 176.300 0.021 0.000 1.131 395 R CA 1.444 57.537 56.100 -0.012 0.000 0.960 395 R CB -0.375 29.909 30.300 -0.027 0.000 0.856 395 R HN 0.272 nan 8.270 nan 0.000 0.436 396 A N 1.228 124.044 122.820 -0.007 0.000 1.930 396 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 396 A C 2.188 179.772 177.584 -0.000 0.000 1.175 396 A CA 1.030 53.070 52.037 0.005 0.000 0.627 396 A CB -0.453 18.551 19.000 0.007 0.000 0.815 396 A HN 0.166 nan 8.150 nan 0.000 0.443 397 L N -0.836 120.294 121.223 -0.155 0.000 2.017 397 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 397 L C 3.131 179.985 176.870 -0.027 0.000 1.073 397 L CA 1.118 55.865 54.840 -0.156 0.000 0.745 397 L CB -0.533 41.352 42.059 -0.290 0.000 0.894 397 L HN 0.449 nan 8.230 nan 0.000 0.432 398 A N -0.270 122.547 122.820 -0.004 0.000 1.902 398 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 398 A C 2.169 179.796 177.584 0.071 0.000 1.181 398 A CA 1.555 53.605 52.037 0.022 0.000 0.623 398 A CB -0.874 18.139 19.000 0.022 0.000 0.818 398 A HN 0.398 nan 8.150 nan 0.000 0.443 399 F N 0.582 120.530 119.950 -0.003 0.000 2.095 399 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 399 F C 2.396 178.270 175.800 0.124 0.000 1.104 399 F CA 2.251 60.293 58.000 0.069 0.000 1.232 399 F CB -0.273 38.716 39.000 -0.019 0.000 0.987 399 F HN 0.216 nan 8.300 nan 0.000 0.475 400 R N 0.444 121.053 120.500 0.181 0.000 2.083 400 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 400 R C 2.411 178.726 176.300 0.025 0.000 1.137 400 R CA 2.020 58.183 56.100 0.105 0.000 0.951 400 R CB -0.638 29.760 30.300 0.164 0.000 0.851 400 R HN 0.519 nan 8.270 nan 0.000 0.434 401 E N 0.067 120.268 120.200 0.002 0.000 2.058 401 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 401 E C 1.092 177.628 176.600 -0.106 0.000 0.997 401 E CA 1.744 58.126 56.400 -0.031 0.000 0.801 401 E CB -0.038 29.643 29.700 -0.032 0.000 0.746 401 E HN 0.354 nan 8.360 nan 0.000 0.450 402 D N -0.573 119.718 120.400 -0.180 0.000 2.310 402 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 402 D C 0.616 176.555 176.300 -0.602 0.000 0.965 402 D CA 0.908 54.697 54.000 -0.351 0.000 0.879 402 D CB -0.012 40.556 40.800 -0.386 0.000 0.921 402 D HN 0.341 nan 8.370 nan 0.000 0.510 403 H N -0.873 117.978 119.070 -0.365 0.000 2.467 403 H HA 0.273 4.829 4.556 -0.000 0.000 0.275 403 H C -0.220 175.000 175.328 -0.181 0.000 1.131 403 H CA 0.071 55.897 56.048 -0.371 0.000 0.989 403 H CB 0.543 29.912 29.762 -0.655 0.000 1.696 403 H HN -0.135 nan 8.280 nan 0.000 0.574 404 T N 1.417 115.949 114.554 -0.036 0.000 2.848 404 T HA 0.442 4.791 4.350 -0.000 0.000 0.285 404 T C -0.238 174.453 174.700 -0.015 0.000 0.995 404 T CA -0.697 61.439 62.100 0.061 0.000 0.970 404 T CB 2.436 71.373 68.868 0.114 0.000 0.976 404 T HN 0.314 nan 8.240 nan 0.000 0.441 405 R N 2.164 122.659 120.500 -0.009 0.000 2.584 405 R HA 0.398 4.737 4.340 -0.000 0.000 0.276 405 R C -1.199 175.086 176.300 -0.025 0.000 1.046 405 R CA -0.793 55.285 56.100 -0.036 0.000 0.906 405 R CB 1.342 31.605 30.300 -0.062 0.000 1.215 405 R HN 0.468 nan 8.270 nan 0.000 0.449 406 K N 2.728 123.115 120.400 -0.022 0.000 2.298 406 K HA 0.300 4.619 4.320 -0.000 0.000 0.280 406 K C -0.376 176.231 176.600 0.010 0.000 1.032 406 K CA -0.447 55.830 56.287 -0.016 0.000 0.958 406 K CB 1.495 33.984 32.500 -0.018 0.000 0.978 406 K HN 0.435 nan 8.250 nan 0.000 0.472 407 V N -0.692 119.246 119.914 0.040 0.000 2.789 407 V HA 0.374 4.494 4.120 -0.000 0.000 0.311 407 V C -0.550 175.632 176.094 0.148 0.000 1.073 407 V CA -0.738 61.615 62.300 0.089 0.000 0.921 407 V CB 2.064 33.952 31.823 0.107 0.000 1.009 407 V HN 0.705 nan 8.190 nan 0.000 0.426 408 D N 1.852 122.348 120.400 0.160 0.000 2.469 408 D HA 0.185 4.825 4.640 -0.000 0.000 0.213 408 D C 0.686 177.098 176.300 0.186 0.000 1.135 408 D CA 0.980 55.105 54.000 0.208 0.000 0.834 408 D CB 1.394 42.310 40.800 0.192 0.000 1.009 408 D HN 0.934 nan 8.370 nan 0.000 0.507 409 T N -2.985 111.673 114.554 0.172 0.000 2.903 409 T HA 0.186 4.536 4.350 -0.000 0.000 0.299 409 T C 0.521 175.360 174.700 0.232 0.000 1.093 409 T CA -0.674 61.525 62.100 0.165 0.000 1.002 409 T CB 1.843 70.781 68.868 0.118 0.000 1.127 409 T HN -0.223 nan 8.240 nan 0.000 0.488 410 Y N 0.944 121.265 120.300 0.035 0.000 2.352 410 Y HA 0.023 4.573 4.550 -0.000 0.000 0.292 410 Y C 2.281 178.230 175.900 0.081 0.000 1.136 410 Y CA 1.609 59.714 58.100 0.007 0.000 1.227 410 Y CB -0.095 38.324 38.460 -0.069 0.000 0.991 410 Y HN 0.950 nan 8.280 nan 0.000 0.545 411 E N -0.580 119.684 120.200 0.106 0.000 2.046 411 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 411 E C 2.297 178.910 176.600 0.020 0.000 0.982 411 E CA 0.979 57.390 56.400 0.019 0.000 0.800 411 E CB -0.166 29.555 29.700 0.035 0.000 0.756 411 E HN 0.416 nan 8.360 nan 0.000 0.449 412 A N 0.701 123.560 122.820 0.065 0.000 1.898 412 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 412 A C 1.990 179.603 177.584 0.048 0.000 1.181 412 A CA 1.185 53.249 52.037 0.046 0.000 0.620 412 A CB -0.895 18.142 19.000 0.062 0.000 0.819 412 A HN 0.509 nan 8.150 nan 0.000 0.442 413 F N 1.041 120.956 119.950 -0.059 0.000 2.095 413 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 413 F C 2.101 177.806 175.800 -0.159 0.000 1.104 413 F CA 2.268 60.212 58.000 -0.094 0.000 1.232 413 F CB -0.218 38.742 39.000 -0.065 0.000 0.987 413 F HN 0.136 nan 8.300 nan 0.000 0.475 414 K N -0.034 120.420 120.400 0.089 0.000 2.147 414 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 414 K C 1.961 178.504 176.600 -0.094 0.000 1.049 414 K CA 1.783 58.045 56.287 -0.042 0.000 0.936 414 K CB -0.246 32.161 32.500 -0.155 0.000 0.722 414 K HN 0.468 nan 8.250 nan 0.000 0.446 415 E N 0.497 120.645 120.200 -0.086 0.000 2.051 415 E HA -0.109 4.241 4.350 -0.000 0.000 0.189 415 E C 2.129 178.656 176.600 -0.121 0.000 0.979 415 E CA 0.800 57.147 56.400 -0.088 0.000 0.803 415 E CB -0.064 29.598 29.700 -0.064 0.000 0.761 415 E HN 0.289 nan 8.360 nan 0.000 0.451 416 A N 1.497 124.224 122.820 -0.156 0.000 1.883 416 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 416 A C 2.480 179.937 177.584 -0.212 0.000 1.186 416 A CA 1.792 53.721 52.037 -0.181 0.000 0.624 416 A CB -1.038 17.842 19.000 -0.199 0.000 0.822 416 A HN 0.241 nan 8.150 nan 0.000 0.444 417 V N -2.802 116.923 119.914 -0.314 0.000 3.383 417 V HA -0.097 4.023 4.120 -0.000 0.000 0.272 417 V C 1.774 177.773 176.094 -0.159 0.000 1.181 417 V CA 2.129 64.272 62.300 -0.261 0.000 1.171 417 V CB -0.844 30.780 31.823 -0.331 0.000 0.800 417 V HN 0.468 nan 8.190 nan 0.000 0.515 418 Q N 0.182 119.899 119.800 -0.137 0.000 2.402 418 Q HA 0.137 4.477 4.340 -0.000 0.000 0.206 418 Q C 1.995 177.936 176.000 -0.098 0.000 0.919 418 Q CA 1.000 56.741 55.803 -0.104 0.000 0.923 418 Q CB 0.376 29.064 28.738 -0.085 0.000 1.048 418 Q HN 0.733 nan 8.270 nan 0.000 0.515 419 E N -1.821 118.320 120.200 -0.097 0.000 2.364 419 E HA 0.319 4.669 4.350 -0.000 0.000 0.203 419 E C 0.421 176.990 176.600 -0.051 0.000 0.888 419 E CA 0.708 57.080 56.400 -0.047 0.000 0.989 419 E CB 0.919 30.591 29.700 -0.047 0.000 0.985 419 E HN 0.242 nan 8.360 nan 0.000 0.499 420 G N -1.093 107.635 108.800 -0.121 0.000 2.593 420 G HA2 0.102 4.062 3.960 -0.000 0.000 0.103 420 G HA3 0.102 4.062 3.960 -0.000 0.000 0.103 420 G C -1.121 173.679 174.900 -0.166 0.000 1.103 420 G CA -0.825 44.150 45.100 -0.209 0.000 1.109 420 G HN 0.042 nan 8.290 nan 0.000 0.516 421 F N 1.767 121.677 119.950 -0.065 0.000 2.410 421 F HA 0.532 5.058 4.527 -0.000 0.000 0.334 421 F C 0.880 176.616 175.800 -0.107 0.000 1.134 421 F CA 0.293 58.253 58.000 -0.067 0.000 1.227 421 F CB 1.603 40.579 39.000 -0.041 0.000 1.194 421 F HN 0.552 nan 8.300 nan 0.000 0.571 422 A N 3.704 126.606 122.820 0.136 0.000 2.411 422 A HA 0.603 4.923 4.320 -0.000 0.000 0.285 422 A C -1.485 176.147 177.584 0.079 0.000 1.129 422 A CA -0.630 51.388 52.037 -0.032 0.000 0.736 422 A CB 0.662 19.436 19.000 -0.377 0.000 1.186 422 A HN 0.524 nan 8.150 nan 0.000 0.445 423 L N 2.535 123.780 121.223 0.038 0.000 2.334 423 L HA 0.604 4.944 4.340 -0.000 0.000 0.286 423 L C 0.618 177.509 176.870 0.035 0.000 1.108 423 L CA 0.268 55.121 54.840 0.023 0.000 0.875 423 L CB 0.157 42.180 42.059 -0.060 0.000 1.246 423 L HN 0.779 nan 8.230 nan 0.000 0.439 424 A N 2.917 125.850 122.820 0.188 0.000 2.380 424 A HA 0.791 5.111 4.320 -0.000 0.000 0.315 424 A C -0.750 176.956 177.584 0.204 0.000 1.101 424 A CA -0.537 51.611 52.037 0.186 0.000 0.771 424 A CB 0.690 19.878 19.000 0.314 0.000 1.287 424 A HN 0.286 nan 8.150 nan 0.000 0.436 425 F N 1.698 121.805 119.950 0.263 0.000 2.429 425 F HA 0.347 4.874 4.527 -0.000 0.000 0.348 425 F C 0.977 176.971 175.800 0.323 0.000 1.109 425 F CA 1.012 59.157 58.000 0.242 0.000 1.232 425 F CB 0.685 39.760 39.000 0.125 0.000 1.157 425 F HN 0.603 nan 8.300 nan 0.000 0.564 426 H N 2.170 121.518 119.070 0.463 0.000 2.851 426 H HA 0.195 4.750 4.556 -0.000 0.000 0.372 426 H C 0.465 175.923 175.328 0.216 0.000 1.158 426 H CA -0.820 55.449 56.048 0.368 0.000 1.159 426 H CB 2.065 32.142 29.762 0.524 0.000 1.757 426 H HN 0.854 nan 8.280 nan 0.000 0.546 427 C N 1.471 120.447 119.300 -0.540 0.000 2.432 427 C HA 0.263 4.723 4.460 -0.000 0.000 0.280 427 C C 1.721 176.601 174.990 -0.184 0.000 1.353 427 C CA 0.688 59.521 59.018 -0.308 0.000 1.766 427 C CB -1.123 26.434 27.740 -0.306 0.000 1.924 427 C HN 1.022 nan 8.230 nan 0.000 0.509 428 G N 0.519 109.344 108.800 0.041 0.000 2.176 428 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.232 428 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.232 428 G C -0.381 174.639 174.900 0.200 0.000 0.986 428 G CA 0.356 45.555 45.100 0.165 0.000 0.643 428 G HN 0.677 nan 8.290 nan 0.000 0.522 429 D N 0.650 121.161 120.400 0.185 0.000 2.295 429 D HA 0.433 5.072 4.640 -0.000 0.000 0.248 429 D C 1.562 178.003 176.300 0.234 0.000 1.154 429 D CA -0.425 53.665 54.000 0.149 0.000 0.857 429 D CB 0.744 41.579 40.800 0.057 0.000 1.117 429 D HN 0.267 nan 8.370 nan 0.000 0.468 430 K N 2.569 123.066 120.400 0.162 0.000 2.074 430 K HA -0.195 4.124 4.320 -0.000 0.000 0.209 430 K C 1.812 178.489 176.600 0.127 0.000 1.048 430 K CA 1.488 57.858 56.287 0.139 0.000 0.926 430 K CB -0.058 32.500 32.500 0.097 0.000 0.713 430 K HN 0.497 nan 8.250 nan 0.000 0.444 431 A N 1.127 124.009 122.820 0.103 0.000 1.883 431 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 431 A C 2.444 180.088 177.584 0.099 0.000 1.186 431 A CA 1.824 53.910 52.037 0.082 0.000 0.624 431 A CB -1.227 17.805 19.000 0.055 0.000 0.822 431 A HN 0.560 nan 8.150 nan 0.000 0.444 432 C N -0.578 118.800 119.300 0.130 0.000 2.432 432 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 432 C C 2.603 177.748 174.990 0.259 0.000 1.249 432 C CA 1.533 60.645 59.018 0.156 0.000 1.725 432 C CB -1.212 26.602 27.740 0.123 0.000 2.028 432 C HN 0.741 nan 8.230 nan 0.000 0.477 433 E N -0.152 120.242 120.200 0.323 0.000 2.160 433 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 433 E C 2.461 179.148 176.600 0.145 0.000 0.991 433 E CA 1.034 57.535 56.400 0.168 0.000 0.810 433 E CB -0.227 29.485 29.700 0.021 0.000 0.742 433 E HN 0.609 nan 8.360 nan 0.000 0.466 434 R N -0.086 120.489 120.500 0.125 0.000 2.090 434 R HA -0.068 4.271 4.340 -0.000 0.000 0.228 434 R C 2.333 178.693 176.300 0.100 0.000 1.110 434 R CA 0.438 56.599 56.100 0.102 0.000 0.973 434 R CB 0.001 30.351 30.300 0.083 0.000 0.869 434 R HN 0.214 nan 8.270 nan 0.000 0.440 435 L N 1.102 122.381 121.223 0.094 0.000 2.017 435 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 435 L C 2.210 179.138 176.870 0.097 0.000 1.073 435 L CA 1.693 56.577 54.840 0.074 0.000 0.745 435 L CB -0.799 41.283 42.059 0.037 0.000 0.894 435 L HN 0.288 nan 8.230 nan 0.000 0.432 436 I N -0.634 120.001 120.570 0.109 0.000 2.208 436 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 436 I C 2.635 178.866 176.117 0.190 0.000 1.097 436 I CA 1.348 62.732 61.300 0.141 0.000 1.363 436 I CB -0.255 37.807 38.000 0.103 0.000 1.051 436 I HN 0.423 nan 8.210 nan 0.000 0.413 437 Q N 1.155 121.063 119.800 0.180 0.000 2.079 437 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 437 Q C 2.009 178.084 176.000 0.126 0.000 0.974 437 Q CA 1.600 57.502 55.803 0.165 0.000 0.840 437 Q CB 0.057 28.878 28.738 0.139 0.000 0.898 437 Q HN 0.516 nan 8.270 nan 0.000 0.430 438 E N 0.207 120.472 120.200 0.108 0.000 2.110 438 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 438 E C 1.759 178.412 176.600 0.088 0.000 0.988 438 E CA 1.395 57.847 56.400 0.086 0.000 0.804 438 E CB 0.095 29.839 29.700 0.074 0.000 0.745 438 E HN 0.471 nan 8.360 nan 0.000 0.458 439 E N -0.588 119.680 120.200 0.113 0.000 2.299 439 E HA -0.059 4.290 4.350 -0.000 0.000 0.193 439 E C 1.714 178.370 176.600 0.094 0.000 0.998 439 E CA 1.421 57.889 56.400 0.114 0.000 0.851 439 E CB 0.370 30.175 29.700 0.176 0.000 0.795 439 E HN 0.268 nan 8.360 nan 0.000 0.492 440 T N -3.727 110.899 114.554 0.120 0.000 2.986 440 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 440 T C 1.240 176.002 174.700 0.103 0.000 0.964 440 T CA 0.672 62.838 62.100 0.109 0.000 0.895 440 T CB 0.423 69.408 68.868 0.195 0.000 1.163 440 T HN 0.157 nan 8.240 nan 0.000 0.517 441 T N -0.586 114.035 114.554 0.111 0.000 7.013 441 T HA -0.201 4.148 4.350 -0.000 0.000 0.288 441 T C 0.471 175.239 174.700 0.113 0.000 2.146 441 T CA 0.911 63.063 62.100 0.087 0.000 3.498 441 T CB -2.465 66.428 68.868 0.041 0.000 1.517 441 T HN 1.647 nan 8.240 nan 0.000 1.113 442 A N 1.678 124.609 122.820 0.185 0.000 2.388 442 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 442 A C 0.797 178.579 177.584 0.330 0.000 1.095 442 A CA 0.330 52.516 52.037 0.248 0.000 0.791 442 A CB 0.587 19.784 19.000 0.328 0.000 1.029 442 A HN 1.486 nan 8.150 nan 0.000 0.489 443 T N -0.985 113.732 114.554 0.271 0.000 2.930 443 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 443 T C 0.131 174.868 174.700 0.062 0.000 1.052 443 T CA -0.088 62.127 62.100 0.191 0.000 1.017 443 T CB 1.053 69.974 68.868 0.088 0.000 1.137 443 T HN 0.992 nan 8.240 nan 0.000 0.511 444 T N 0.418 114.833 114.554 -0.231 0.000 2.884 444 T HA 0.389 4.739 4.350 -0.000 0.000 0.298 444 T C 0.829 175.371 174.700 -0.264 0.000 0.998 444 T CA -0.923 60.812 62.100 -0.608 0.000 1.124 444 T CB 0.899 69.362 68.868 -0.674 0.000 0.931 444 T HN 0.535 nan 8.240 nan 0.000 0.531 445 R N 1.211 121.569 120.500 -0.236 0.000 2.123 445 R HA 0.315 4.654 4.340 -0.000 0.000 0.209 445 R C 0.947 177.147 176.300 -0.167 0.000 1.078 445 R CA 0.568 56.602 56.100 -0.110 0.000 1.028 445 R CB -1.018 29.276 30.300 -0.011 0.000 0.939 445 R HN 0.974 nan 8.270 nan 0.000 0.463 446 C N -3.348 115.791 119.300 -0.267 0.000 3.197 446 C HA 0.467 4.927 4.460 -0.000 0.000 0.343 446 C C -0.922 173.846 174.990 -0.370 0.000 1.291 446 C CA -1.177 57.663 59.018 -0.298 0.000 1.191 446 C CB 0.957 28.531 27.740 -0.276 0.000 1.444 446 C HN -0.059 nan 8.230 nan 0.000 0.468 447 V N 3.224 122.895 119.914 -0.405 0.000 2.259 447 V HA 0.410 4.529 4.120 -0.000 0.000 0.267 447 V C -1.784 174.090 176.094 -0.367 0.000 1.051 447 V CA -0.939 61.115 62.300 -0.409 0.000 0.830 447 V CB 0.887 32.398 31.823 -0.520 0.000 1.080 447 V HN 0.868 nan 8.190 nan 0.000 0.467 448 P HA -0.030 nan 4.420 nan 0.000 0.261 448 P C 0.851 178.057 177.300 -0.157 0.000 1.173 448 P CA 0.480 63.409 63.100 -0.285 0.000 0.760 448 P CB 0.655 32.240 31.700 -0.191 0.000 0.783 449 F N 1.099 121.014 119.950 -0.060 0.000 2.095 449 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 449 F C 1.406 177.185 175.800 -0.034 0.000 1.104 449 F CA 1.115 59.087 58.000 -0.047 0.000 1.232 449 F CB -0.117 38.861 39.000 -0.038 0.000 0.987 449 F HN 0.280 nan 8.300 nan 0.000 0.475 450 E N 0.283 120.583 120.200 0.168 0.000 2.121 450 E HA 0.567 4.917 4.350 -0.000 0.000 0.255 450 E C -0.784 175.837 176.600 0.035 0.000 0.906 450 E CA -0.179 56.274 56.400 0.087 0.000 0.745 450 E CB 1.292 31.041 29.700 0.081 0.000 1.155 450 E HN 0.203 nan 8.360 nan 0.000 0.424 451 A N 2.675 125.509 122.820 0.023 0.000 2.587 451 A HA 0.480 4.800 4.320 -0.000 0.000 0.293 451 A C -0.749 176.841 177.584 0.011 0.000 1.087 451 A CA -0.837 51.198 52.037 -0.003 0.000 0.692 451 A CB 1.123 20.103 19.000 -0.033 0.000 1.291 451 A HN 0.504 nan 8.150 nan 0.000 0.407 452 E N 2.182 122.384 120.200 0.004 0.000 2.493 452 E HA 0.164 4.513 4.350 -0.000 0.000 0.255 452 E C -1.955 174.666 176.600 0.034 0.000 0.999 452 E CA -1.316 55.095 56.400 0.018 0.000 0.934 452 E CB 0.416 30.123 29.700 0.013 0.000 0.940 452 E HN 0.342 nan 8.360 nan 0.000 0.473 453 P HA 0.051 nan 4.420 nan 0.000 0.269 453 P C -1.108 176.249 177.300 0.095 0.000 1.252 453 P CA 0.481 63.622 63.100 0.068 0.000 0.780 453 P CB 0.624 32.356 31.700 0.054 0.000 0.829 454 E N 1.879 122.170 120.200 0.152 0.000 2.312 454 E HA 0.480 4.829 4.350 -0.000 0.000 0.267 454 E C -1.049 175.760 176.600 0.349 0.000 0.894 454 E CA -0.706 55.852 56.400 0.263 0.000 0.773 454 E CB 1.786 31.687 29.700 0.335 0.000 1.241 454 E HN 0.299 nan 8.360 nan 0.000 0.432 455 E N -0.119 120.191 120.200 0.184 0.000 2.256 455 E HA 0.642 4.991 4.350 -0.000 0.000 0.268 455 E C -0.833 175.338 176.600 -0.715 0.000 0.877 455 E CA -0.292 56.021 56.400 -0.145 0.000 0.757 455 E CB 1.905 31.516 29.700 -0.149 0.000 1.183 455 E HN 0.606 nan 8.360 nan 0.000 0.418 456 G N 1.658 109.636 108.800 -1.369 0.000 2.726 456 G HA2 0.498 4.458 3.960 -0.000 0.000 0.198 456 G HA3 0.498 4.458 3.960 -0.000 0.000 0.198 456 G C -1.558 172.474 174.900 -1.447 0.000 1.195 456 G CA -0.580 43.492 45.100 -1.715 0.000 0.951 456 G HN 0.259 nan 8.290 nan 0.000 0.532 457 F N 0.091 119.713 119.950 -0.547 0.000 2.556 457 F HA 0.507 5.034 4.527 -0.000 0.000 0.314 457 F C 0.755 176.529 175.800 -0.043 0.000 1.106 457 F CA -0.835 57.038 58.000 -0.212 0.000 0.911 457 F CB 1.809 40.721 39.000 -0.147 0.000 1.190 457 F HN 0.527 nan 8.300 nan 0.000 0.448 458 C N 3.447 122.820 119.300 0.122 0.000 2.334 458 C HA -0.028 4.432 4.460 -0.000 0.000 0.395 458 C C 2.168 177.209 174.990 0.086 0.000 1.507 458 C CA 0.216 59.281 59.018 0.078 0.000 1.494 458 C CB -0.468 27.213 27.740 -0.097 0.000 2.509 458 C HN 0.879 nan 8.230 nan 0.000 0.599 459 V N 6.177 126.160 119.914 0.117 0.000 2.568 459 V HA -0.158 3.962 4.120 -0.000 0.000 0.253 459 V C 2.343 178.355 176.094 -0.137 0.000 1.072 459 V CA 2.722 65.056 62.300 0.057 0.000 1.084 459 V CB -0.709 31.144 31.823 0.050 0.000 0.676 459 V HN 0.988 nan 8.190 nan 0.000 0.469 460 R N -0.867 119.457 120.500 -0.294 0.000 2.119 460 R HA 0.002 4.342 4.340 -0.000 0.000 0.202 460 R C 2.295 178.390 176.300 -0.342 0.000 1.114 460 R CA 1.284 57.038 56.100 -0.576 0.000 1.089 460 R CB -0.363 29.467 30.300 -0.783 0.000 1.000 460 R HN 0.677 nan 8.270 nan 0.000 0.487 461 C N -0.837 118.330 119.300 -0.223 0.000 2.673 461 C HA 0.502 4.961 4.460 -0.000 0.000 0.264 461 C C 1.581 176.513 174.990 -0.097 0.000 1.304 461 C CA 0.115 59.043 59.018 -0.151 0.000 1.727 461 C CB -0.081 27.582 27.740 -0.128 0.000 1.932 461 C HN 0.755 nan 8.230 nan 0.000 0.563 462 G N 0.941 109.704 108.800 -0.062 0.000 2.205 462 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.261 462 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.261 462 G C 0.295 175.238 174.900 0.072 0.000 0.980 462 G CA 0.321 45.413 45.100 -0.014 0.000 0.632 462 G HN 0.741 nan 8.290 nan 0.000 0.533 463 R N 0.900 121.428 120.500 0.047 0.000 2.707 463 R HA 0.402 4.742 4.340 -0.000 0.000 0.270 463 R C -2.296 174.097 176.300 0.154 0.000 1.083 463 R CA -1.540 54.614 56.100 0.090 0.000 1.182 463 R CB 0.067 30.363 30.300 -0.007 0.000 1.084 463 R HN 0.077 nan 8.270 nan 0.000 0.528 464 P HA -0.081 nan 4.420 nan 0.000 0.262 464 P C -0.503 176.689 177.300 -0.180 0.000 1.182 464 P CA 0.388 63.409 63.100 -0.131 0.000 0.761 464 P CB 0.572 32.214 31.700 -0.097 0.000 0.795 465 S N 2.663 118.192 115.700 -0.285 0.000 2.576 465 S HA 0.571 5.041 4.470 -0.000 0.000 0.276 465 S C 0.214 174.747 174.600 -0.111 0.000 1.339 465 S CA -0.555 57.576 58.200 -0.116 0.000 1.039 465 S CB 0.615 63.809 63.200 -0.011 0.000 0.902 465 S HN 0.502 nan 8.310 nan 0.000 0.516 466 A N 1.597 124.334 122.820 -0.138 0.000 2.326 466 A HA 0.742 5.062 4.320 -0.000 0.000 0.303 466 A C 0.083 177.539 177.584 -0.213 0.000 1.164 466 A CA -0.661 51.159 52.037 -0.361 0.000 0.929 466 A CB -0.468 18.052 19.000 -0.801 0.000 1.363 466 A HN 1.537 nan 8.150 nan 0.000 0.498 467 Y N -1.988 118.358 120.300 0.076 0.000 4.784 467 Y HA -0.306 4.244 4.550 -0.000 0.000 0.278 467 Y C 1.662 177.600 175.900 0.064 0.000 0.980 467 Y CA 1.418 59.558 58.100 0.067 0.000 1.845 467 Y CB -1.717 36.786 38.460 0.071 0.000 1.177 467 Y HN 2.161 nan 8.280 nan 0.000 0.460 468 G N 0.980 109.888 108.800 0.180 0.000 2.155 468 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 468 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 468 G C -0.003 175.002 174.900 0.174 0.000 0.983 468 G CA 1.166 46.350 45.100 0.140 0.000 0.676 468 G HN 0.923 nan 8.290 nan 0.000 0.528 469 K N -1.902 118.637 120.400 0.231 0.000 2.658 469 K HA 0.594 4.914 4.320 -0.000 0.000 0.293 469 K C -0.354 176.312 176.600 0.110 0.000 1.026 469 K CA -1.292 55.087 56.287 0.153 0.000 0.871 469 K CB 0.975 33.520 32.500 0.076 0.000 1.524 469 K HN 0.130 nan 8.250 nan 0.000 0.400 470 R N 0.668 121.100 120.500 -0.113 0.000 2.641 470 R HA 0.360 4.700 4.340 -0.000 0.000 0.269 470 R C -0.311 175.955 176.300 -0.057 0.000 1.074 470 R CA -0.620 55.344 56.100 -0.227 0.000 1.133 470 R CB 0.998 31.071 30.300 -0.379 0.000 1.029 470 R HN 0.326 nan 8.270 nan 0.000 0.488 471 V N 2.382 122.324 119.914 0.046 0.000 2.612 471 V HA 0.219 4.339 4.120 -0.000 0.000 0.301 471 V C -0.049 176.038 176.094 -0.011 0.000 1.046 471 V CA -0.817 61.454 62.300 -0.047 0.000 0.946 471 V CB 1.976 33.758 31.823 -0.068 0.000 1.003 471 V HN 0.423 nan 8.190 nan 0.000 0.459 472 V N 4.735 124.535 119.914 -0.190 0.000 2.432 472 V HA 0.384 4.504 4.120 -0.000 0.000 0.271 472 V C -0.370 175.650 176.094 -0.124 0.000 1.046 472 V CA 0.048 62.244 62.300 -0.172 0.000 0.945 472 V CB 0.370 31.949 31.823 -0.407 0.000 0.992 472 V HN 0.594 nan 8.190 nan 0.000 0.471 473 F N 2.524 122.485 119.950 0.019 0.000 2.575 473 F HA 0.932 5.459 4.527 -0.000 0.000 0.330 473 F C 0.404 176.267 175.800 0.106 0.000 1.056 473 F CA -0.158 57.897 58.000 0.092 0.000 0.964 473 F CB 2.092 41.206 39.000 0.190 0.000 1.258 473 F HN 0.654 nan 8.300 nan 0.000 0.484 474 A N 1.026 124.028 122.820 0.303 0.000 2.481 474 A HA 0.467 4.786 4.320 -0.000 0.000 0.295 474 A C -1.772 175.865 177.584 0.090 0.000 0.986 474 A CA -1.169 50.959 52.037 0.150 0.000 0.617 474 A CB 0.913 20.035 19.000 0.205 0.000 1.364 474 A HN 0.602 nan 8.150 nan 0.000 0.452 475 K N 0.170 120.563 120.400 -0.012 0.000 2.205 475 K HA 0.668 4.988 4.320 -0.000 0.000 0.279 475 K C 0.008 176.556 176.600 -0.086 0.000 1.027 475 K CA 0.290 56.549 56.287 -0.046 0.000 0.932 475 K CB 1.719 34.157 32.500 -0.104 0.000 1.032 475 K HN 1.078 nan 8.250 nan 0.000 0.466 476 A N 2.605 125.377 122.820 -0.081 0.000 2.479 476 A HA 0.570 4.890 4.320 -0.000 0.000 0.296 476 A C -1.491 176.006 177.584 -0.144 0.000 1.121 476 A CA -0.702 51.290 52.037 -0.074 0.000 0.743 476 A CB 0.528 19.551 19.000 0.039 0.000 1.323 476 A HN 0.592 nan 8.150 nan 0.000 0.415 477 Y N 0.000 120.299 120.300 -0.002 0.000 2.660 477 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 477 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 477 Y CB 0.000 38.444 38.460 -0.028 0.000 1.050 477 Y HN 0.000 nan 8.280 nan 0.000 0.758