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 2v1p_1_A DATA FIRST_RESID 5 DATA SEQUENCE KHLPEPFRIR VIEPVKRTTR AYREEAIIKS GMNPFLLDSE DVFIDLLTDS DATA SEQUENCE GTGAVTQSMQ AAMMRGDEAF SGSRSYYALA ESVKNIFGYQ YTIPTHQGRG DATA SEQUENCE AEQIYIPVLI KKREQEKGLD RSKMVAFSNY FFDTTQGHSQ INGCTVRNVY DATA SEQUENCE IKEAFDTGVR YDFKGNFDLE GLERGIEEVG PNNVPYIVAT ITSNSAGGQP DATA SEQUENCE VSLANLKAMY SIAKKYDIPV VMDSARFAEN AYFIKQREAE YKDWTIEQIT DATA SEQUENCE RETYKYADML AMSAKKDAMV PMGGLLCMKD DSFFDVYTEC RTLXVVQEGF DATA SEQUENCE PTYGGLEGGA MERLAVGLYD GMNLDWLAYR IAQVQYLVDG LEEIGVVXQQ DATA SEQUENCE AGGHAAFVDA GKLLPHIPAD QFPAQALACE LYKVAGIRAV EIGSFLLGRD DATA SEQUENCE PKTGKQLPCP AELLRLTIPR ATYTQTHMDF IIEAFKHVKE NAANIKGLTF DATA SEQUENCE TYEPKVLRHF TAKLKEV 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 0.000 176.675 176.600 0.126 0.000 0.988 5 K CA 0.000 56.394 56.287 0.179 0.000 0.838 5 K CB 0.000 32.558 32.500 0.096 0.000 1.064 6 H N 4.709 123.731 119.070 -0.079 0.000 2.668 6 H HA 0.326 4.881 4.556 -0.000 0.000 0.303 6 H C -0.216 175.023 175.328 -0.148 0.000 1.074 6 H CA -0.348 55.518 56.048 -0.303 0.000 1.406 6 H CB 0.586 29.866 29.762 -0.804 0.000 1.442 6 H HN 0.372 nan 8.280 nan 0.000 0.482 7 L N 7.461 128.655 121.223 -0.049 0.000 2.452 7 L HA 0.257 4.597 4.340 -0.000 0.000 0.267 7 L C -1.778 175.265 176.870 0.289 0.000 1.188 7 L CA -2.005 52.895 54.840 0.100 0.000 0.821 7 L CB 0.561 42.661 42.059 0.069 0.000 1.102 7 L HN 0.640 nan 8.230 nan 0.000 0.470 8 P HA 0.111 nan 4.420 nan 0.000 0.278 8 P C -1.068 176.176 177.300 -0.093 0.000 1.238 8 P CA -0.590 62.547 63.100 0.061 0.000 0.794 8 P CB 0.747 32.435 31.700 -0.019 0.000 0.955 9 E N 3.451 123.406 120.200 -0.407 0.000 2.480 9 E HA 0.047 4.397 4.350 -0.000 0.000 0.258 9 E C -1.560 174.498 176.600 -0.902 0.000 0.984 9 E CA -0.985 54.682 56.400 -1.222 0.000 0.930 9 E CB -0.382 28.300 29.700 -1.698 0.000 0.936 9 E HN 0.335 nan 8.360 nan 0.000 0.466 10 P HA 0.113 nan 4.420 nan 0.000 0.220 10 P C -1.198 176.074 177.300 -0.048 0.000 1.778 10 P CA -0.097 62.873 63.100 -0.217 0.000 0.912 10 P CB -0.681 31.013 31.700 -0.009 0.000 1.861 11 F N -2.755 117.124 119.950 -0.118 0.000 2.799 11 F HA 0.517 5.043 4.527 -0.000 0.000 0.316 11 F C -1.290 174.458 175.800 -0.088 0.000 1.155 11 F CA -1.620 56.320 58.000 -0.100 0.000 0.916 11 F CB 0.814 39.739 39.000 -0.125 0.000 1.294 11 F HN -0.331 nan 8.300 nan 0.000 0.447 12 R N 1.673 122.327 120.500 0.257 0.000 2.393 12 R HA 0.690 5.030 4.340 -0.000 0.000 0.310 12 R C -0.820 175.608 176.300 0.214 0.000 0.968 12 R CA -0.871 55.322 56.100 0.156 0.000 0.867 12 R CB 1.881 32.221 30.300 0.065 0.000 1.124 12 R HN 0.641 nan 8.270 nan 0.000 0.450 13 I N 3.496 124.182 120.570 0.194 0.000 2.618 13 I HA -0.009 4.161 4.170 -0.000 0.000 0.284 13 I C 1.312 177.454 176.117 0.042 0.000 1.146 13 I CA 0.288 61.663 61.300 0.125 0.000 1.425 13 I CB 0.568 38.639 38.000 0.118 0.000 1.383 13 I HN 0.519 nan 8.210 nan 0.000 0.562 14 R N 4.333 124.830 120.500 -0.006 0.000 2.310 14 R HA 0.335 4.675 4.340 -0.000 0.000 0.199 14 R C -0.455 175.829 176.300 -0.025 0.000 0.891 14 R CA 0.467 56.556 56.100 -0.018 0.000 1.060 14 R CB 0.598 30.877 30.300 -0.036 0.000 1.188 14 R HN 0.399 nan 8.270 nan 0.000 0.607 15 V N 3.400 123.290 119.914 -0.040 0.000 2.638 15 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 15 V C -0.178 175.894 176.094 -0.037 0.000 1.052 15 V CA -1.037 61.240 62.300 -0.037 0.000 0.885 15 V CB 2.515 34.309 31.823 -0.049 0.000 0.999 15 V HN 0.139 nan 8.190 nan 0.000 0.424 16 I N 0.564 121.121 120.570 -0.021 0.000 2.740 16 I HA 0.764 4.934 4.170 -0.000 0.000 0.303 16 I C -0.492 175.618 176.117 -0.013 0.000 1.044 16 I CA -0.666 60.624 61.300 -0.015 0.000 1.064 16 I CB 2.363 40.368 38.000 0.008 0.000 1.249 16 I HN 0.752 nan 8.210 nan 0.000 0.433 17 E N 5.515 125.706 120.200 -0.014 0.000 2.102 17 E HA 0.489 4.839 4.350 -0.000 0.000 0.263 17 E C -2.425 174.188 176.600 0.021 0.000 0.894 17 E CA -1.894 54.504 56.400 -0.004 0.000 0.746 17 E CB 1.007 30.697 29.700 -0.017 0.000 1.129 17 E HN 0.514 nan 8.360 nan 0.000 0.416 18 P HA -0.004 nan 4.420 nan 0.000 0.265 18 P C -1.319 176.020 177.300 0.065 0.000 1.193 18 P CA -0.178 62.950 63.100 0.046 0.000 0.765 18 P CB 0.760 32.478 31.700 0.030 0.000 0.823 19 V N 3.679 123.654 119.914 0.102 0.000 2.525 19 V HA 0.231 4.350 4.120 -0.000 0.000 0.299 19 V C 0.242 176.405 176.094 0.114 0.000 1.034 19 V CA -0.907 61.478 62.300 0.142 0.000 0.863 19 V CB 1.686 33.655 31.823 0.243 0.000 0.999 19 V HN 0.553 nan 8.190 nan 0.000 0.423 20 K N 4.230 124.661 120.400 0.052 0.000 2.326 20 K HA 0.481 4.801 4.320 -0.000 0.000 0.275 20 K C -0.440 176.097 176.600 -0.104 0.000 1.018 20 K CA -0.669 55.598 56.287 -0.033 0.000 0.962 20 K CB 0.937 33.393 32.500 -0.074 0.000 0.953 20 K HN 0.319 nan 8.250 nan 0.000 0.475 21 R N 2.501 122.888 120.500 -0.188 0.000 2.202 21 R HA 0.151 4.490 4.340 -0.000 0.000 0.334 21 R C -0.112 176.033 176.300 -0.258 0.000 1.036 21 R CA -0.351 55.556 56.100 -0.322 0.000 0.878 21 R CB 0.903 31.009 30.300 -0.324 0.000 1.067 21 R HN 0.956 nan 8.270 nan 0.000 0.457 22 T N -1.271 113.130 114.554 -0.256 0.000 2.881 22 T HA 0.444 4.794 4.350 -0.000 0.000 0.278 22 T C 0.640 175.256 174.700 -0.140 0.000 0.982 22 T CA -0.694 61.261 62.100 -0.242 0.000 0.989 22 T CB 1.282 70.035 68.868 -0.193 0.000 1.058 22 T HN 0.510 nan 8.240 nan 0.000 0.529 23 T N -1.243 113.272 114.554 -0.065 0.000 2.902 23 T HA 0.426 4.776 4.350 -0.000 0.000 0.280 23 T C 1.168 175.880 174.700 0.020 0.000 0.992 23 T CA -0.912 61.179 62.100 -0.015 0.000 1.015 23 T CB 1.536 70.415 68.868 0.018 0.000 1.044 23 T HN 0.621 nan 8.240 nan 0.000 0.520 24 R N 1.270 121.764 120.500 -0.010 0.000 2.073 24 R HA 0.024 4.364 4.340 -0.000 0.000 0.234 24 R C 2.487 178.793 176.300 0.011 0.000 1.134 24 R CA 2.156 58.240 56.100 -0.027 0.000 0.952 24 R CB -1.479 28.797 30.300 -0.040 0.000 0.850 24 R HN 0.843 nan 8.270 nan 0.000 0.433 25 A N -0.506 122.335 122.820 0.034 0.000 1.908 25 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 25 A C 2.238 179.863 177.584 0.068 0.000 1.181 25 A CA 1.647 53.709 52.037 0.042 0.000 0.627 25 A CB -1.073 17.953 19.000 0.044 0.000 0.818 25 A HN 0.606 nan 8.150 nan 0.000 0.445 26 Y N 0.399 120.693 120.300 -0.009 0.000 2.145 26 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 26 Y C 2.574 178.496 175.900 0.036 0.000 1.145 26 Y CA 2.182 60.289 58.100 0.012 0.000 1.148 26 Y CB -0.191 38.272 38.460 0.005 0.000 0.981 26 Y HN 0.237 nan 8.280 nan 0.000 0.507 27 R N 0.006 120.610 120.500 0.173 0.000 2.092 27 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 27 R C 2.096 178.445 176.300 0.082 0.000 1.119 27 R CA 1.340 57.493 56.100 0.089 0.000 0.970 27 R CB -0.254 29.904 30.300 -0.236 0.000 0.864 27 R HN 0.430 nan 8.270 nan 0.000 0.440 28 E N 1.007 121.219 120.200 0.021 0.000 2.085 28 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 28 E C 1.839 178.445 176.600 0.010 0.000 0.994 28 E CA 1.344 57.758 56.400 0.024 0.000 0.801 28 E CB -0.017 29.686 29.700 0.006 0.000 0.743 28 E HN 0.486 nan 8.360 nan 0.000 0.453 29 E N 0.574 120.747 120.200 -0.045 0.000 2.106 29 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 29 E C 2.059 178.601 176.600 -0.097 0.000 0.984 29 E CA 0.808 57.158 56.400 -0.083 0.000 0.806 29 E CB -0.069 29.547 29.700 -0.140 0.000 0.750 29 E HN 0.183 nan 8.360 nan 0.000 0.458 30 A N 1.337 124.081 122.820 -0.128 0.000 1.877 30 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 30 A C 2.192 179.785 177.584 0.016 0.000 1.186 30 A CA 1.071 53.063 52.037 -0.074 0.000 0.620 30 A CB -0.445 18.560 19.000 0.009 0.000 0.822 30 A HN 0.222 nan 8.150 nan 0.000 0.443 31 I N -0.062 120.578 120.570 0.116 0.000 2.394 31 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 31 I C 2.052 178.182 176.117 0.021 0.000 1.136 31 I CA 0.959 62.299 61.300 0.067 0.000 1.425 31 I CB -0.200 37.918 38.000 0.196 0.000 1.079 31 I HN 0.375 nan 8.210 nan 0.000 0.425 32 I N -0.001 120.581 120.570 0.019 0.000 2.233 32 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 32 I C 2.303 178.421 176.117 0.001 0.000 1.093 32 I CA 1.120 62.424 61.300 0.008 0.000 1.380 32 I CB -0.446 37.556 38.000 0.002 0.000 1.067 32 I HN 0.105 nan 8.210 nan 0.000 0.413 33 K N 0.669 121.061 120.400 -0.013 0.000 2.152 33 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 33 K C 1.887 178.486 176.600 -0.002 0.000 1.048 33 K CA 1.775 58.053 56.287 -0.014 0.000 0.933 33 K CB -0.217 32.264 32.500 -0.033 0.000 0.721 33 K HN 0.367 nan 8.250 nan 0.000 0.447 34 S N -0.241 115.456 115.700 -0.005 0.000 2.671 34 S HA 0.118 4.588 4.470 -0.000 0.000 0.220 34 S C 1.051 175.671 174.600 0.035 0.000 0.951 34 S CA 0.145 58.349 58.200 0.008 0.000 0.932 34 S CB 0.123 63.306 63.200 -0.028 0.000 0.777 34 S HN 0.389 nan 8.310 nan 0.000 0.508 35 G N 2.370 111.189 108.800 0.033 0.000 2.323 35 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.292 35 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.292 35 G C 0.448 175.361 174.900 0.022 0.000 1.040 35 G CA 0.075 45.204 45.100 0.049 0.000 0.942 35 G HN 0.665 nan 8.290 nan 0.000 0.506 36 M N -1.410 118.187 119.600 -0.005 0.000 2.302 36 M HA -0.159 4.321 4.480 -0.000 0.000 0.200 36 M C 0.088 176.347 176.300 -0.068 0.000 0.366 36 M CA 1.501 56.777 55.300 -0.041 0.000 0.440 36 M CB -2.274 30.288 32.600 -0.064 0.000 1.475 36 M HN 0.792 nan 8.290 nan 0.000 0.905 37 N N 0.049 118.739 118.700 -0.017 0.000 2.607 37 N HA 0.412 5.151 4.740 -0.000 0.000 0.271 37 N C -2.126 173.400 175.510 0.027 0.000 1.142 37 N CA -1.559 51.518 53.050 0.046 0.000 0.810 37 N CB 1.633 40.233 38.487 0.188 0.000 1.306 37 N HN -0.164 nan 8.380 nan 0.000 0.536 38 P HA -0.064 nan 4.420 nan 0.000 0.218 38 P C 1.026 178.280 177.300 -0.077 0.000 1.146 38 P CA 1.137 64.130 63.100 -0.179 0.000 0.820 38 P CB 0.033 31.594 31.700 -0.233 0.000 0.778 39 F N -1.864 118.133 119.950 0.079 0.000 2.269 39 F HA -0.143 4.384 4.527 -0.000 0.000 0.301 39 F C 1.650 177.489 175.800 0.066 0.000 1.082 39 F CA 0.432 58.503 58.000 0.119 0.000 1.360 39 F CB -0.338 38.804 39.000 0.236 0.000 1.041 39 F HN -0.130 nan 8.300 nan 0.000 0.512 40 L N -0.110 121.246 121.223 0.222 0.000 2.592 40 L HA 0.154 4.493 4.340 -0.000 0.000 0.227 40 L C 0.359 177.257 176.870 0.046 0.000 1.127 40 L CA 0.391 55.306 54.840 0.126 0.000 0.884 40 L CB -0.836 41.294 42.059 0.119 0.000 1.065 40 L HN -0.045 nan 8.230 nan 0.000 0.457 41 L N -0.383 120.837 121.223 -0.005 0.000 2.395 41 L HA 0.156 4.496 4.340 -0.000 0.000 0.269 41 L C 0.130 177.004 176.870 0.008 0.000 1.133 41 L CA -0.544 54.260 54.840 -0.060 0.000 0.812 41 L CB 0.480 42.406 42.059 -0.222 0.000 1.125 41 L HN 0.010 nan 8.230 nan 0.000 0.452 42 D N 0.530 120.951 120.400 0.036 0.000 2.382 42 D HA -0.014 4.626 4.640 -0.000 0.000 0.245 42 D C 0.926 177.274 176.300 0.080 0.000 1.120 42 D CA 0.118 54.157 54.000 0.065 0.000 0.890 42 D CB 1.684 42.536 40.800 0.088 0.000 1.201 42 D HN 0.503 nan 8.370 nan 0.000 0.433 43 S N 1.985 117.731 115.700 0.078 0.000 2.383 43 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 43 S C 1.345 176.013 174.600 0.113 0.000 1.030 43 S CA 1.418 59.671 58.200 0.088 0.000 1.002 43 S CB -0.052 63.192 63.200 0.074 0.000 0.829 43 S HN 0.447 nan 8.310 nan 0.000 0.467 44 E N 0.094 120.359 120.200 0.108 0.000 2.265 44 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 44 E C 0.890 177.583 176.600 0.156 0.000 0.996 44 E CA 1.103 57.573 56.400 0.116 0.000 0.832 44 E CB -0.090 29.666 29.700 0.093 0.000 0.756 44 E HN 0.567 nan 8.360 nan 0.000 0.491 45 D N 0.014 120.536 120.400 0.204 0.000 2.339 45 D HA 0.019 4.659 4.640 -0.000 0.000 0.217 45 D C -0.325 176.210 176.300 0.393 0.000 1.050 45 D CA 0.260 54.449 54.000 0.315 0.000 0.856 45 D CB 0.639 41.677 40.800 0.396 0.000 0.922 45 D HN -0.076 nan 8.370 nan 0.000 0.518 46 V N 2.212 122.306 119.914 0.300 0.000 2.370 46 V HA 0.090 4.209 4.120 -0.000 0.000 0.283 46 V C 0.737 177.023 176.094 0.320 0.000 1.023 46 V CA -0.650 61.853 62.300 0.338 0.000 0.857 46 V CB 1.493 33.437 31.823 0.201 0.000 0.985 46 V HN -0.072 nan 8.190 nan 0.000 0.443 47 F N 6.029 126.067 119.950 0.146 0.000 2.149 47 F HA 0.277 4.804 4.527 -0.000 0.000 0.294 47 F C 0.819 176.640 175.800 0.035 0.000 1.095 47 F CA 1.065 59.107 58.000 0.070 0.000 1.276 47 F CB 0.368 39.381 39.000 0.022 0.000 1.023 47 F HN 0.285 nan 8.300 nan 0.000 0.480 48 I N 1.404 121.870 120.570 -0.173 0.000 2.448 48 I HA 0.164 4.334 4.170 -0.000 0.000 0.281 48 I C -1.185 174.811 176.117 -0.202 0.000 1.027 48 I CA -0.712 60.272 61.300 -0.528 0.000 1.111 48 I CB 1.119 38.712 38.000 -0.680 0.000 1.236 48 I HN -0.161 nan 8.210 nan 0.000 0.452 49 D N 7.399 127.774 120.400 -0.042 0.000 2.411 49 D HA 0.292 4.931 4.640 -0.000 0.000 0.225 49 D C 0.354 176.696 176.300 0.071 0.000 1.156 49 D CA -0.057 53.980 54.000 0.063 0.000 0.874 49 D CB 1.054 41.932 40.800 0.130 0.000 1.034 49 D HN 0.450 nan 8.370 nan 0.000 0.502 50 L N 4.290 125.526 121.223 0.022 0.000 2.791 50 L HA 0.187 4.526 4.340 -0.000 0.000 0.239 50 L C 2.077 178.980 176.870 0.055 0.000 1.203 50 L CA -0.225 54.639 54.840 0.041 0.000 1.002 50 L CB 0.184 42.251 42.059 0.013 0.000 1.295 50 L HN 0.354 nan 8.230 nan 0.000 0.504 51 L N -0.390 120.869 121.223 0.061 0.000 1.990 51 L HA -0.108 4.232 4.340 -0.000 0.000 0.213 51 L C 1.046 177.990 176.870 0.125 0.000 1.072 51 L CA 1.613 56.496 54.840 0.073 0.000 0.755 51 L CB 0.249 42.361 42.059 0.088 0.000 0.889 51 L HN 0.398 nan 8.230 nan 0.000 0.432 52 T N -2.677 111.955 114.554 0.130 0.000 2.840 52 T HA 0.158 4.508 4.350 -0.000 0.000 0.317 52 T C -0.821 173.954 174.700 0.124 0.000 1.401 52 T CA -0.198 61.985 62.100 0.138 0.000 1.028 52 T CB 1.257 70.223 68.868 0.162 0.000 1.317 52 T HN 0.368 nan 8.240 nan 0.000 0.495 53 D N 0.728 121.200 120.400 0.119 0.000 2.398 53 D HA 0.154 4.794 4.640 -0.000 0.000 0.210 53 D C 0.626 176.984 176.300 0.095 0.000 1.094 53 D CA -0.159 53.908 54.000 0.111 0.000 0.839 53 D CB 0.179 41.048 40.800 0.114 0.000 0.963 53 D HN 0.284 nan 8.370 nan 0.000 0.506 54 S N 0.302 116.060 115.700 0.097 0.000 2.414 54 S HA 0.413 4.883 4.470 -0.000 0.000 0.290 54 S C 1.406 176.046 174.600 0.067 0.000 1.160 54 S CA 0.457 58.705 58.200 0.081 0.000 1.069 54 S CB -0.567 62.688 63.200 0.091 0.000 1.012 54 S HN 0.547 nan 8.310 nan 0.000 0.510 55 G N 3.883 112.715 108.800 0.053 0.000 2.168 55 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.257 55 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.257 55 G C 0.615 175.532 174.900 0.028 0.000 0.997 55 G CA 0.861 45.983 45.100 0.037 0.000 0.708 55 G HN 1.233 nan 8.290 nan 0.000 0.520 56 T N -2.292 112.283 114.554 0.035 0.000 3.054 56 T HA 0.558 4.908 4.350 -0.000 0.000 0.255 56 T C 1.322 176.017 174.700 -0.009 0.000 1.035 56 T CA 0.915 63.029 62.100 0.023 0.000 0.941 56 T CB 1.109 70.009 68.868 0.054 0.000 1.026 56 T HN 1.199 nan 8.240 nan 0.000 0.533 57 G N 0.928 109.722 108.800 -0.009 0.000 2.557 57 G HA2 0.641 4.600 3.960 -0.000 0.000 0.292 57 G HA3 0.641 4.600 3.960 -0.000 0.000 0.292 57 G C -0.004 174.834 174.900 -0.103 0.000 1.237 57 G CA -0.525 44.550 45.100 -0.042 0.000 0.978 57 G HN 0.582 nan 8.290 nan 0.000 0.498 58 A N -1.351 121.371 122.820 -0.164 0.000 2.272 58 A HA 0.671 4.991 4.320 -0.000 0.000 0.275 58 A C 0.388 177.819 177.584 -0.254 0.000 1.096 58 A CA 0.148 52.053 52.037 -0.219 0.000 0.822 58 A CB 0.692 19.516 19.000 -0.293 0.000 1.088 58 A HN 1.845 nan 8.150 nan 0.000 0.495 59 V N -1.715 118.056 119.914 -0.238 0.000 3.046 59 V HA 0.861 4.981 4.120 -0.000 0.000 0.316 59 V C 0.227 176.162 176.094 -0.264 0.000 1.104 59 V CA -0.069 62.095 62.300 -0.228 0.000 1.006 59 V CB 1.144 32.881 31.823 -0.143 0.000 1.058 59 V HN 1.275 nan 8.190 nan 0.000 0.440 60 T N -0.713 113.695 114.554 -0.244 0.000 2.847 60 T HA 0.349 4.699 4.350 -0.000 0.000 0.279 60 T C 0.855 175.466 174.700 -0.148 0.000 0.984 60 T CA 0.064 62.029 62.100 -0.225 0.000 0.988 60 T CB 1.201 69.950 68.868 -0.198 0.000 1.040 60 T HN 0.781 nan 8.240 nan 0.000 0.528 61 Q N 0.382 120.109 119.800 -0.123 0.000 2.061 61 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 61 Q C 2.694 178.653 176.000 -0.069 0.000 0.984 61 Q CA 1.881 57.633 55.803 -0.085 0.000 0.846 61 Q CB -0.400 28.298 28.738 -0.068 0.000 0.902 61 Q HN 0.753 nan 8.270 nan 0.000 0.421 62 S N 0.450 116.110 115.700 -0.067 0.000 2.399 62 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 62 S C 1.887 176.460 174.600 -0.045 0.000 1.022 62 S CA 1.083 59.252 58.200 -0.051 0.000 0.983 62 S CB -0.108 63.063 63.200 -0.048 0.000 0.803 62 S HN 0.301 nan 8.310 nan 0.000 0.480 63 M N 0.850 120.415 119.600 -0.058 0.000 2.099 63 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 63 M C 2.542 178.815 176.300 -0.046 0.000 1.067 63 M CA 1.388 56.659 55.300 -0.049 0.000 1.124 63 M CB -0.384 32.173 32.600 -0.070 0.000 1.353 63 M HN 0.335 nan 8.290 nan 0.000 0.410 64 Q N 0.276 120.040 119.800 -0.059 0.000 2.084 64 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 64 Q C 2.023 178.000 176.000 -0.037 0.000 0.978 64 Q CA 1.739 57.512 55.803 -0.050 0.000 0.844 64 Q CB -0.074 28.628 28.738 -0.060 0.000 0.898 64 Q HN 0.534 nan 8.270 nan 0.000 0.426 65 A N 0.772 123.570 122.820 -0.037 0.000 1.940 65 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 65 A C 2.269 179.841 177.584 -0.021 0.000 1.176 65 A CA 1.619 53.639 52.037 -0.029 0.000 0.631 65 A CB -0.934 18.048 19.000 -0.030 0.000 0.814 65 A HN 0.553 nan 8.150 nan 0.000 0.446 66 A N -0.958 121.850 122.820 -0.020 0.000 2.024 66 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 66 A C 2.053 179.632 177.584 -0.008 0.000 1.164 66 A CA 1.844 53.874 52.037 -0.011 0.000 0.643 66 A CB -0.500 18.497 19.000 -0.005 0.000 0.806 66 A HN 0.435 nan 8.150 nan 0.000 0.451 67 M N -1.196 118.397 119.600 -0.012 0.000 2.358 67 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 67 M C 1.655 177.950 176.300 -0.008 0.000 1.064 67 M CA 1.295 56.590 55.300 -0.009 0.000 1.093 67 M CB -0.955 31.637 32.600 -0.013 0.000 1.401 67 M HN 0.464 nan 8.290 nan 0.000 0.440 68 M N -1.382 118.211 119.600 -0.010 0.000 2.494 68 M HA 0.028 4.508 4.480 -0.000 0.000 0.232 68 M C 0.753 177.049 176.300 -0.007 0.000 1.137 68 M CA 0.341 55.635 55.300 -0.009 0.000 1.012 68 M CB 0.209 32.803 32.600 -0.011 0.000 1.567 68 M HN 0.056 nan 8.290 nan 0.000 0.486 69 R N 0.313 120.809 120.500 -0.006 0.000 2.652 69 R HA 0.258 4.598 4.340 -0.000 0.000 0.372 69 R C 0.472 176.770 176.300 -0.003 0.000 1.104 69 R CA -0.355 55.742 56.100 -0.004 0.000 1.072 69 R CB 0.587 30.884 30.300 -0.004 0.000 1.367 69 R HN 0.184 nan 8.270 nan 0.000 0.577 70 G N 0.681 109.479 108.800 -0.003 0.000 2.442 70 G HA2 0.006 3.966 3.960 -0.000 0.000 0.249 70 G HA3 0.006 3.966 3.960 -0.000 0.000 0.249 70 G C -0.795 174.102 174.900 -0.006 0.000 1.263 70 G CA -0.145 44.954 45.100 -0.002 0.000 0.846 70 G HN 0.053 nan 8.290 nan 0.000 0.555 71 D N 1.456 121.850 120.400 -0.010 0.000 2.427 71 D HA 0.193 4.833 4.640 -0.000 0.000 0.226 71 D C 0.733 177.023 176.300 -0.016 0.000 1.076 71 D CA -0.620 53.369 54.000 -0.018 0.000 0.849 71 D CB 1.124 41.902 40.800 -0.037 0.000 1.052 71 D HN 0.223 nan 8.370 nan 0.000 0.515 72 E N 1.824 122.020 120.200 -0.007 0.000 2.463 72 E HA 0.142 4.492 4.350 -0.000 0.000 0.191 72 E C 0.489 177.096 176.600 0.011 0.000 1.083 72 E CA -0.133 56.267 56.400 0.000 0.000 0.872 72 E CB -0.179 29.524 29.700 0.006 0.000 0.966 72 E HN 0.515 nan 8.360 nan 0.000 0.491 73 A N 0.662 123.483 122.820 0.002 0.000 2.561 73 A HA -0.022 4.298 4.320 -0.000 0.000 0.234 73 A C 0.870 178.479 177.584 0.042 0.000 1.055 73 A CA -0.232 51.821 52.037 0.027 0.000 0.756 73 A CB -0.105 18.896 19.000 0.002 0.000 0.986 73 A HN 0.273 nan 8.150 nan 0.000 0.505 74 F N 2.511 122.429 119.950 -0.053 0.000 2.171 74 F HA -0.025 4.502 4.527 -0.000 0.000 0.300 74 F C 1.267 177.030 175.800 -0.062 0.000 1.090 74 F CA 1.792 59.755 58.000 -0.061 0.000 1.293 74 F CB 0.044 38.993 39.000 -0.084 0.000 1.013 74 F HN 0.625 nan 8.300 nan 0.000 0.486 75 S N -1.748 113.969 115.700 0.029 0.000 2.564 75 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 75 S C 0.325 174.917 174.600 -0.013 0.000 1.124 75 S CA -0.387 57.779 58.200 -0.057 0.000 0.869 75 S CB 1.282 64.535 63.200 0.088 0.000 1.105 75 S HN 0.972 nan 8.310 nan 0.000 0.472 76 G N 0.734 109.522 108.800 -0.020 0.000 2.153 76 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 76 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 76 G C 0.216 174.879 174.900 -0.395 0.000 0.994 76 G CA 0.276 45.345 45.100 -0.052 0.000 0.698 76 G HN 1.573 nan 8.290 nan 0.000 0.521 77 S N -0.125 115.388 115.700 -0.312 0.000 2.537 77 S HA 0.297 4.767 4.470 -0.000 0.000 0.286 77 S C 2.069 176.362 174.600 -0.511 0.000 1.299 77 S CA 0.659 58.689 58.200 -0.284 0.000 1.067 77 S CB 0.357 63.488 63.200 -0.115 0.000 0.864 77 S HN 0.786 nan 8.310 nan 0.000 0.494 78 R N 3.368 123.669 120.500 -0.332 0.000 2.193 78 R HA -0.017 4.322 4.340 -0.000 0.000 0.229 78 R C 1.825 178.080 176.300 -0.076 0.000 1.110 78 R CA 1.698 57.674 56.100 -0.206 0.000 0.988 78 R CB -0.576 29.701 30.300 -0.040 0.000 0.871 78 R HN 0.499 nan 8.270 nan 0.000 0.458 79 S N 0.550 116.216 115.700 -0.058 0.000 2.387 79 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 79 S C 1.447 176.077 174.600 0.050 0.000 1.026 79 S CA 0.870 59.074 58.200 0.007 0.000 0.972 79 S CB -0.388 62.820 63.200 0.013 0.000 0.814 79 S HN 0.502 nan 8.310 nan 0.000 0.477 80 Y N 1.515 121.774 120.300 -0.068 0.000 2.200 80 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 80 Y C 1.801 177.792 175.900 0.153 0.000 1.137 80 Y CA 1.096 59.203 58.100 0.010 0.000 1.163 80 Y CB -0.822 37.620 38.460 -0.030 0.000 0.988 80 Y HN 0.347 nan 8.280 nan 0.000 0.518 81 Y N -0.286 119.873 120.300 -0.234 0.000 2.181 81 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 81 Y C 2.728 178.501 175.900 -0.212 0.000 1.146 81 Y CA 0.355 58.276 58.100 -0.299 0.000 1.164 81 Y CB -0.482 37.920 38.460 -0.096 0.000 0.982 81 Y HN 0.291 nan 8.280 nan 0.000 0.515 82 A N 0.207 123.059 122.820 0.054 0.000 1.902 82 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 82 A C 2.107 179.691 177.584 -0.001 0.000 1.181 82 A CA 1.560 53.615 52.037 0.029 0.000 0.623 82 A CB -0.935 18.087 19.000 0.037 0.000 0.818 82 A HN 0.430 nan 8.150 nan 0.000 0.443 83 L N -0.193 121.017 121.223 -0.022 0.000 2.017 83 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 83 L C 2.642 179.469 176.870 -0.072 0.000 1.073 83 L CA 2.263 57.091 54.840 -0.020 0.000 0.745 83 L CB -0.892 41.181 42.059 0.023 0.000 0.894 83 L HN 0.330 nan 8.230 nan 0.000 0.432 84 A N -0.871 121.836 122.820 -0.187 0.000 1.933 84 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 84 A C 2.239 179.746 177.584 -0.128 0.000 1.175 84 A CA 1.659 53.575 52.037 -0.201 0.000 0.628 84 A CB -0.665 18.095 19.000 -0.401 0.000 0.814 84 A HN 0.558 nan 8.150 nan 0.000 0.444 85 E N 0.331 120.470 120.200 -0.102 0.000 2.106 85 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 85 E C 2.138 178.726 176.600 -0.021 0.000 0.984 85 E CA 1.615 57.980 56.400 -0.059 0.000 0.806 85 E CB -0.313 29.369 29.700 -0.029 0.000 0.750 85 E HN 0.480 nan 8.360 nan 0.000 0.458 86 S N -0.698 115.000 115.700 -0.004 0.000 2.368 86 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 86 S C 1.999 176.498 174.600 -0.170 0.000 1.030 86 S CA 1.138 59.315 58.200 -0.038 0.000 0.999 86 S CB -0.304 62.873 63.200 -0.039 0.000 0.844 86 S HN 0.168 nan 8.310 nan 0.000 0.459 87 V N 2.116 121.980 119.914 -0.084 0.000 2.343 87 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 87 V C 2.409 178.490 176.094 -0.020 0.000 1.051 87 V CA 1.854 64.161 62.300 0.011 0.000 1.036 87 V CB -0.532 31.303 31.823 0.019 0.000 0.654 87 V HN 0.453 nan 8.190 nan 0.000 0.451 88 K N 0.307 120.677 120.400 -0.050 0.000 2.057 88 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 88 K C 1.861 178.424 176.600 -0.061 0.000 1.049 88 K CA 2.126 58.385 56.287 -0.047 0.000 0.931 88 K CB -0.231 32.222 32.500 -0.078 0.000 0.714 88 K HN 0.603 nan 8.250 nan 0.000 0.440 89 N N -0.052 118.603 118.700 -0.075 0.000 2.300 89 N HA -0.021 4.719 4.740 -0.000 0.000 0.179 89 N C 1.744 177.163 175.510 -0.153 0.000 1.016 89 N CA 0.859 53.874 53.050 -0.059 0.000 0.876 89 N CB 0.126 38.640 38.487 0.045 0.000 0.979 89 N HN 0.165 nan 8.380 nan 0.000 0.432 90 I N -0.689 119.669 120.570 -0.353 0.000 2.429 90 I HA -0.075 4.095 4.170 -0.000 0.000 0.247 90 I C 0.846 176.502 176.117 -0.769 0.000 1.099 90 I CA 1.025 61.931 61.300 -0.658 0.000 1.422 90 I CB 0.054 37.375 38.000 -1.132 0.000 1.112 90 I HN 0.051 nan 8.210 nan 0.000 0.430 91 F N 0.194 119.883 119.950 -0.435 0.000 2.717 91 F HA 0.329 4.856 4.527 -0.000 0.000 0.295 91 F C 1.787 177.442 175.800 -0.241 0.000 1.117 91 F CA 0.501 58.136 58.000 -0.608 0.000 1.361 91 F CB 0.189 38.480 39.000 -1.182 0.000 1.112 91 F HN 0.147 nan 8.300 nan 0.000 0.594 92 G N -0.323 108.506 108.800 0.049 0.000 2.143 92 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.249 92 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.249 92 G C -0.293 174.785 174.900 0.297 0.000 0.981 92 G CA -0.424 44.760 45.100 0.139 0.000 0.665 92 G HN 0.199 nan 8.290 nan 0.000 0.528 93 Y N 0.868 121.138 120.300 -0.049 0.000 2.327 93 Y HA 0.457 5.007 4.550 -0.000 0.000 0.336 93 Y C 1.671 177.467 175.900 -0.173 0.000 1.035 93 Y CA -0.795 57.251 58.100 -0.091 0.000 1.165 93 Y CB 1.135 39.542 38.460 -0.088 0.000 1.181 93 Y HN 0.275 nan 8.280 nan 0.000 0.494 94 Q N 1.901 121.590 119.800 -0.186 0.000 2.311 94 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 94 Q C -0.818 174.723 176.000 -0.765 0.000 0.954 94 Q CA 0.954 56.450 55.803 -0.513 0.000 0.885 94 Q CB 0.234 28.517 28.738 -0.758 0.000 0.963 94 Q HN 0.544 nan 8.270 nan 0.000 0.471 95 Y N -0.351 119.852 120.300 -0.161 0.000 2.341 95 Y HA 0.387 4.937 4.550 -0.000 0.000 0.338 95 Y C -0.288 175.523 175.900 -0.149 0.000 0.965 95 Y CA -0.792 57.086 58.100 -0.370 0.000 1.108 95 Y CB 2.021 39.986 38.460 -0.824 0.000 1.180 95 Y HN -0.306 nan 8.280 nan 0.000 0.458 96 T N 5.196 119.817 114.554 0.112 0.000 2.848 96 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 96 T C -0.611 174.327 174.700 0.395 0.000 0.995 96 T CA -0.560 61.666 62.100 0.210 0.000 0.970 96 T CB 0.800 69.742 68.868 0.124 0.000 0.976 96 T HN 0.399 nan 8.240 nan 0.000 0.441 97 I N 4.762 125.505 120.570 0.288 0.000 2.439 97 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 97 I C -2.552 173.649 176.117 0.141 0.000 1.023 97 I CA -2.522 58.918 61.300 0.233 0.000 1.100 97 I CB 2.226 40.327 38.000 0.170 0.000 1.238 97 I HN 0.291 nan 8.210 nan 0.000 0.445 98 P HA 0.172 nan 4.420 nan 0.000 0.275 98 P C -0.495 176.827 177.300 0.038 0.000 1.227 98 P CA -0.127 63.034 63.100 0.102 0.000 0.781 98 P CB 0.842 32.626 31.700 0.141 0.000 0.906 99 T N -1.219 113.339 114.554 0.007 0.000 2.887 99 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 99 T C 0.119 174.795 174.700 -0.040 0.000 1.021 99 T CA -0.410 61.638 62.100 -0.086 0.000 1.000 99 T CB 1.108 69.918 68.868 -0.097 0.000 1.034 99 T HN 0.593 nan 8.240 nan 0.000 0.467 100 H N -0.686 118.384 119.070 -0.001 0.000 3.078 100 H HA 0.453 5.009 4.556 -0.000 0.000 0.263 100 H C 0.602 175.931 175.328 0.003 0.000 1.177 100 H CA -0.634 55.416 56.048 0.003 0.000 1.128 100 H CB 0.091 29.854 29.762 0.003 0.000 1.623 100 H HN 0.562 nan 8.280 nan 0.000 0.592 101 Q N 0.515 120.222 119.800 -0.156 0.000 3.042 101 Q HA 0.424 4.763 4.340 -0.000 0.000 0.201 101 Q C 0.348 176.340 176.000 -0.013 0.000 1.156 101 Q CA -0.761 55.011 55.803 -0.051 0.000 0.440 101 Q CB 0.217 28.874 28.738 -0.135 0.000 5.406 101 Q HN 0.403 nan 8.270 nan 0.000 0.316 102 G N 0.129 108.923 108.800 -0.010 0.000 2.333 102 G HA2 0.371 4.331 3.960 -0.000 0.000 0.290 102 G HA3 0.371 4.331 3.960 -0.000 0.000 0.290 102 G C -0.162 174.734 174.900 -0.006 0.000 1.150 102 G CA 0.046 45.160 45.100 0.023 0.000 0.895 102 G HN 0.504 nan 8.290 nan 0.000 0.444 103 R N 1.215 121.716 120.500 0.002 0.000 3.993 103 R HA -0.207 4.133 4.340 -0.000 0.000 0.314 103 R C 1.324 177.608 176.300 -0.026 0.000 0.247 103 R CA 2.446 58.536 56.100 -0.017 0.000 1.056 103 R CB -1.451 28.845 30.300 -0.007 0.000 0.989 103 R HN 1.347 nan 8.270 nan 0.000 0.564 104 G N -1.427 107.362 108.800 -0.020 0.000 4.904 104 G HA2 0.595 4.555 3.960 -0.000 0.000 0.265 104 G HA3 0.595 4.555 3.960 -0.000 0.000 0.265 104 G C -0.199 174.702 174.900 0.002 0.000 1.227 104 G CA 0.629 45.724 45.100 -0.007 0.000 0.926 104 G HN 1.458 nan 8.290 nan 0.000 0.581 105 A N 0.099 122.869 122.820 -0.084 0.000 2.687 105 A HA -0.190 4.130 4.320 -0.000 0.000 0.299 105 A C 1.353 178.816 177.584 -0.202 0.000 1.497 105 A CA 1.455 53.410 52.037 -0.137 0.000 0.751 105 A CB -1.884 17.067 19.000 -0.082 0.000 1.048 105 A HN 0.635 nan 8.150 nan 0.000 0.464 106 E N -0.141 119.834 120.200 -0.375 0.000 2.204 106 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 106 E C 2.156 178.233 176.600 -0.872 0.000 0.989 106 E CA 1.109 57.068 56.400 -0.734 0.000 0.824 106 E CB -0.106 29.251 29.700 -0.573 0.000 0.756 106 E HN 1.047 nan 8.360 nan 0.000 0.477 107 Q N 0.727 120.039 119.800 -0.815 0.000 2.500 107 Q HA -0.124 4.216 4.340 -0.000 0.000 0.213 107 Q C 1.660 177.497 176.000 -0.271 0.000 0.974 107 Q CA 0.862 56.391 55.803 -0.457 0.000 0.918 107 Q CB 0.173 28.783 28.738 -0.213 0.000 0.980 107 Q HN 0.286 nan 8.270 nan 0.000 0.505 108 I N 0.626 121.026 120.570 -0.283 0.000 2.726 108 I HA -0.116 4.054 4.170 -0.000 0.000 0.243 108 I C 2.469 178.520 176.117 -0.109 0.000 1.082 108 I CA 0.762 61.969 61.300 -0.156 0.000 1.447 108 I CB -1.563 36.380 38.000 -0.095 0.000 1.250 108 I HN 0.200 nan 8.210 nan 0.000 0.453 109 Y N 1.504 121.733 120.300 -0.118 0.000 2.274 109 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 109 Y C 2.323 178.138 175.900 -0.142 0.000 1.145 109 Y CA 0.970 59.007 58.100 -0.105 0.000 1.203 109 Y CB -1.373 37.030 38.460 -0.094 0.000 0.984 109 Y HN 0.033 nan 8.280 nan 0.000 0.533 110 I N 1.887 122.156 120.570 -0.501 0.000 2.113 110 I HA -0.196 3.974 4.170 -0.000 0.000 0.238 110 I C -0.215 175.876 176.117 -0.042 0.000 1.070 110 I CA 1.569 62.666 61.300 -0.337 0.000 1.332 110 I CB -1.572 36.207 38.000 -0.368 0.000 1.044 110 I HN 0.190 nan 8.210 nan 0.000 0.402 111 P HA -0.094 nan 4.420 nan 0.000 0.218 111 P C 1.924 179.237 177.300 0.021 0.000 1.149 111 P CA 1.298 64.397 63.100 -0.001 0.000 0.817 111 P CB -0.011 31.672 31.700 -0.028 0.000 0.785 112 V N 0.358 120.282 119.914 0.016 0.000 2.358 112 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 112 V C 2.793 178.927 176.094 0.067 0.000 1.047 112 V CA 1.520 63.837 62.300 0.028 0.000 1.035 112 V CB -1.099 30.740 31.823 0.027 0.000 0.658 112 V HN 0.017 nan 8.190 nan 0.000 0.452 113 L N -0.814 120.484 121.223 0.125 0.000 2.109 113 L HA -0.124 4.215 4.340 -0.000 0.000 0.207 113 L C 2.331 179.320 176.870 0.199 0.000 1.086 113 L CA 1.441 56.396 54.840 0.192 0.000 0.760 113 L CB -0.457 41.788 42.059 0.309 0.000 0.910 113 L HN 0.271 nan 8.230 nan 0.000 0.437 114 I N 0.115 120.804 120.570 0.199 0.000 2.179 114 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 114 I C 2.705 178.874 176.117 0.087 0.000 1.088 114 I CA 1.473 62.866 61.300 0.155 0.000 1.357 114 I CB -0.318 37.761 38.000 0.132 0.000 1.051 114 I HN 0.245 nan 8.210 nan 0.000 0.409 115 K N 1.561 121.998 120.400 0.061 0.000 2.097 115 K HA -0.244 4.075 4.320 -0.000 0.000 0.206 115 K C 2.233 178.849 176.600 0.026 0.000 1.049 115 K CA 1.482 57.788 56.287 0.032 0.000 0.933 115 K CB -0.038 32.471 32.500 0.015 0.000 0.717 115 K HN 0.133 nan 8.250 nan 0.000 0.442 116 K N 0.767 121.185 120.400 0.030 0.000 2.009 116 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 116 K C 2.252 178.863 176.600 0.018 0.000 1.049 116 K CA 1.619 57.911 56.287 0.008 0.000 0.929 116 K CB -0.120 32.376 32.500 -0.007 0.000 0.714 116 K HN 0.054 nan 8.250 nan 0.000 0.440 117 R N 0.494 121.021 120.500 0.046 0.000 2.148 117 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 117 R C 2.147 178.468 176.300 0.034 0.000 1.088 117 R CA 1.363 57.491 56.100 0.047 0.000 0.985 117 R CB 0.033 30.378 30.300 0.074 0.000 0.880 117 R HN 0.370 nan 8.270 nan 0.000 0.451 118 E N 0.193 120.412 120.200 0.033 0.000 2.072 118 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 118 E C 1.676 178.285 176.600 0.015 0.000 0.985 118 E CA 1.199 57.613 56.400 0.023 0.000 0.801 118 E CB 0.199 29.912 29.700 0.022 0.000 0.750 118 E HN 0.437 nan 8.360 nan 0.000 0.452 119 Q N -0.275 119.532 119.800 0.012 0.000 2.187 119 Q HA -0.087 4.253 4.340 -0.000 0.000 0.199 119 Q C 1.851 177.854 176.000 0.006 0.000 0.957 119 Q CA 1.090 56.897 55.803 0.006 0.000 0.857 119 Q CB 0.200 28.938 28.738 0.001 0.000 0.929 119 Q HN 0.339 nan 8.270 nan 0.000 0.453 120 E N 0.688 120.892 120.200 0.006 0.000 2.140 120 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 120 E C 0.861 177.469 176.600 0.013 0.000 0.973 120 E CA 0.620 57.024 56.400 0.006 0.000 0.829 120 E CB 0.308 30.008 29.700 -0.000 0.000 0.781 120 E HN 0.098 nan 8.360 nan 0.000 0.466 121 K N -0.233 120.178 120.400 0.019 0.000 2.506 121 K HA 0.197 4.517 4.320 -0.000 0.000 0.204 121 K C 0.195 176.806 176.600 0.019 0.000 1.045 121 K CA 0.258 56.558 56.287 0.022 0.000 1.074 121 K CB 1.652 34.171 32.500 0.031 0.000 0.842 121 K HN 0.169 nan 8.250 nan 0.000 0.514 122 G N 2.726 111.536 108.800 0.016 0.000 2.323 122 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.292 122 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.292 122 G C 0.044 174.953 174.900 0.014 0.000 1.040 122 G CA 0.169 45.277 45.100 0.013 0.000 0.942 122 G HN 0.416 nan 8.290 nan 0.000 0.506 123 L N -0.086 121.148 121.223 0.018 0.000 2.514 123 L HA 0.359 4.699 4.340 -0.000 0.000 0.280 123 L C 0.107 176.983 176.870 0.011 0.000 1.223 123 L CA -0.155 54.696 54.840 0.018 0.000 0.864 123 L CB 0.678 42.753 42.059 0.028 0.000 1.118 123 L HN 0.202 nan 8.230 nan 0.000 0.494 124 D N 4.474 124.877 120.400 0.005 0.000 2.412 124 D HA 0.165 4.805 4.640 -0.000 0.000 0.224 124 D C 0.973 177.271 176.300 -0.005 0.000 1.093 124 D CA -0.310 53.690 54.000 -0.000 0.000 0.850 124 D CB 1.101 41.899 40.800 -0.003 0.000 1.046 124 D HN 0.606 nan 8.370 nan 0.000 0.507 125 R N 1.182 121.680 120.500 -0.003 0.000 2.170 125 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 125 R C 1.937 178.226 176.300 -0.017 0.000 1.145 125 R CA 1.536 57.632 56.100 -0.007 0.000 0.984 125 R CB 0.021 30.319 30.300 -0.003 0.000 0.869 125 R HN 0.400 nan 8.270 nan 0.000 0.455 126 S N -0.093 115.597 115.700 -0.016 0.000 2.562 126 S HA 0.024 4.494 4.470 -0.000 0.000 0.221 126 S C 1.283 175.868 174.600 -0.026 0.000 0.975 126 S CA 0.443 58.630 58.200 -0.021 0.000 0.918 126 S CB 0.294 63.484 63.200 -0.017 0.000 0.772 126 S HN 0.251 nan 8.310 nan 0.000 0.531 127 K N 0.890 121.275 120.400 -0.025 0.000 2.438 127 K HA 0.323 4.642 4.320 -0.000 0.000 0.206 127 K C 0.383 176.960 176.600 -0.037 0.000 1.081 127 K CA -0.204 56.067 56.287 -0.028 0.000 1.053 127 K CB 0.470 32.959 32.500 -0.018 0.000 0.908 127 K HN 0.584 nan 8.250 nan 0.000 0.556 128 M N 0.802 120.377 119.600 -0.042 0.000 2.249 128 M HA 0.222 4.701 4.480 -0.000 0.000 0.340 128 M C -0.501 175.733 176.300 -0.110 0.000 1.166 128 M CA 0.181 55.446 55.300 -0.058 0.000 1.115 128 M CB 0.634 33.207 32.600 -0.045 0.000 1.606 128 M HN -0.324 nan 8.290 nan 0.000 0.448 129 V N 2.785 122.610 119.914 -0.148 0.000 2.733 129 V HA 0.784 4.904 4.120 -0.000 0.000 0.306 129 V C -0.334 175.531 176.094 -0.381 0.000 1.084 129 V CA -0.777 61.351 62.300 -0.287 0.000 0.905 129 V CB 1.663 33.285 31.823 -0.336 0.000 1.010 129 V HN 1.090 nan 8.190 nan 0.000 0.424 130 A N 4.184 126.735 122.820 -0.448 0.000 2.325 130 A HA 0.971 5.291 4.320 -0.000 0.000 0.333 130 A C -1.197 176.280 177.584 -0.178 0.000 1.155 130 A CA -0.297 51.534 52.037 -0.343 0.000 0.814 130 A CB 0.823 19.525 19.000 -0.497 0.000 1.206 130 A HN 0.608 nan 8.150 nan 0.000 0.482 131 F N 0.375 120.492 119.950 0.280 0.000 2.556 131 F HA 0.774 5.300 4.527 -0.000 0.000 0.327 131 F C 0.681 176.528 175.800 0.078 0.000 1.059 131 F CA -0.137 58.031 58.000 0.281 0.000 0.953 131 F CB 2.497 41.610 39.000 0.189 0.000 1.227 131 F HN 0.596 nan 8.300 nan 0.000 0.478 132 S N -0.126 115.607 115.700 0.055 0.000 2.552 132 S HA 0.202 4.672 4.470 -0.000 0.000 0.272 132 S C -0.002 174.377 174.600 -0.369 0.000 1.150 132 S CA -0.627 57.359 58.200 -0.356 0.000 0.849 132 S CB 0.771 63.118 63.200 -1.423 0.000 1.113 132 S HN 0.764 nan 8.310 nan 0.000 0.458 133 N N 1.279 119.421 118.700 -0.929 0.000 2.364 133 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 133 N C -0.219 175.243 175.510 -0.081 0.000 1.022 133 N CA 0.935 53.484 53.050 -0.835 0.000 0.883 133 N CB -0.036 37.756 38.487 -1.158 0.000 0.965 133 N HN 0.489 nan 8.380 nan 0.000 0.438 134 Y N -0.764 119.377 120.300 -0.265 0.000 2.168 134 Y HA 0.209 4.758 4.550 -0.000 0.000 0.313 134 Y C -1.557 174.311 175.900 -0.054 0.000 1.290 134 Y CA -1.245 56.813 58.100 -0.068 0.000 1.410 134 Y CB 0.113 38.536 38.460 -0.062 0.000 1.306 134 Y HN -0.133 nan 8.280 nan 0.000 0.384 135 F N 5.463 125.302 119.950 -0.185 0.000 2.456 135 F HA 0.313 4.840 4.527 -0.000 0.000 0.358 135 F C 0.320 176.138 175.800 0.030 0.000 1.095 135 F CA 0.288 58.292 58.000 0.008 0.000 1.216 135 F CB 0.264 39.256 39.000 -0.014 0.000 1.125 135 F HN 0.316 nan 8.300 nan 0.000 0.549 136 F N 3.123 123.277 119.950 0.339 0.000 2.450 136 F HA 0.037 4.564 4.527 -0.000 0.000 0.339 136 F C 1.733 177.671 175.800 0.231 0.000 1.146 136 F CA -0.029 58.140 58.000 0.281 0.000 1.267 136 F CB 0.454 39.610 39.000 0.260 0.000 1.178 136 F HN 0.537 nan 8.300 nan 0.000 0.585 137 D N 0.280 120.887 120.400 0.344 0.000 2.133 137 D HA -0.219 4.421 4.640 -0.000 0.000 0.192 137 D C 2.227 178.646 176.300 0.198 0.000 1.001 137 D CA 2.448 56.578 54.000 0.216 0.000 0.844 137 D CB -0.568 40.346 40.800 0.190 0.000 0.944 137 D HN 0.689 nan 8.370 nan 0.000 0.447 138 T N -1.380 113.333 114.554 0.266 0.000 2.821 138 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 138 T C 2.050 176.930 174.700 0.300 0.000 1.046 138 T CA 1.712 63.949 62.100 0.230 0.000 1.139 138 T CB -0.698 68.326 68.868 0.261 0.000 0.871 138 T HN -0.010 nan 8.240 nan 0.000 0.454 139 T N 1.869 116.625 114.554 0.336 0.000 2.746 139 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 139 T C 2.029 176.824 174.700 0.159 0.000 1.039 139 T CA 1.576 63.877 62.100 0.335 0.000 1.142 139 T CB -0.440 68.754 68.868 0.544 0.000 0.866 139 T HN 0.588 nan 8.240 nan 0.000 0.444 140 Q N 0.697 120.540 119.800 0.073 0.000 2.119 140 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 140 Q C 2.553 178.479 176.000 -0.123 0.000 0.972 140 Q CA 1.608 57.300 55.803 -0.184 0.000 0.847 140 Q CB -0.554 28.110 28.738 -0.123 0.000 0.903 140 Q HN 0.564 nan 8.270 nan 0.000 0.433 141 G N -0.419 108.349 108.800 -0.053 0.000 2.433 141 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 141 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 141 G C 0.771 175.574 174.900 -0.163 0.000 1.186 141 G CA 1.205 46.231 45.100 -0.123 0.000 0.779 141 G HN 0.488 nan 8.290 nan 0.000 0.543 142 H N 0.253 119.286 119.070 -0.062 0.000 2.421 142 H HA 0.061 4.617 4.556 -0.000 0.000 0.298 142 H C 2.986 178.263 175.328 -0.086 0.000 1.087 142 H CA 1.318 57.315 56.048 -0.085 0.000 1.330 142 H CB 0.196 29.882 29.762 -0.126 0.000 1.388 142 H HN 0.321 nan 8.280 nan 0.000 0.526 143 S N 0.363 116.076 115.700 0.020 0.000 2.345 143 S HA -0.189 4.281 4.470 -0.000 0.000 0.220 143 S C 1.990 176.558 174.600 -0.054 0.000 1.031 143 S CA 1.239 59.438 58.200 -0.002 0.000 0.996 143 S CB -0.159 62.966 63.200 -0.125 0.000 0.882 143 S HN 0.510 nan 8.310 nan 0.000 0.445 144 Q N 0.284 120.022 119.800 -0.104 0.000 2.124 144 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 144 Q C 2.055 178.012 176.000 -0.072 0.000 0.977 144 Q CA 0.932 56.675 55.803 -0.099 0.000 0.850 144 Q CB -0.267 28.403 28.738 -0.114 0.000 0.901 144 Q HN 0.400 nan 8.270 nan 0.000 0.429 145 I N 1.402 121.928 120.570 -0.072 0.000 2.264 145 I HA -0.242 3.927 4.170 -0.000 0.000 0.248 145 I C 1.512 177.607 176.117 -0.036 0.000 1.111 145 I CA 1.260 62.523 61.300 -0.062 0.000 1.382 145 I CB -0.912 37.038 38.000 -0.084 0.000 1.060 145 I HN 0.279 nan 8.210 nan 0.000 0.418 146 N N 0.881 119.569 118.700 -0.020 0.000 2.449 146 N HA 0.004 4.744 4.740 -0.000 0.000 0.191 146 N C 1.293 176.797 175.510 -0.010 0.000 1.161 146 N CA 0.863 53.910 53.050 -0.004 0.000 0.863 146 N CB 0.417 38.916 38.487 0.020 0.000 0.980 146 N HN 0.512 nan 8.380 nan 0.000 0.458 147 G N 0.848 109.631 108.800 -0.028 0.000 2.143 147 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.248 147 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.248 147 G C 0.084 174.957 174.900 -0.046 0.000 0.991 147 G CA 0.221 45.299 45.100 -0.035 0.000 0.689 147 G HN 0.459 nan 8.290 nan 0.000 0.522 148 C N 1.805 121.073 119.300 -0.054 0.000 2.303 148 C HA 0.763 5.223 4.460 -0.000 0.000 0.326 148 C C 1.114 176.019 174.990 -0.142 0.000 1.285 148 C CA 0.260 59.227 59.018 -0.085 0.000 1.675 148 C CB 0.117 27.823 27.740 -0.057 0.000 2.289 148 C HN 0.488 nan 8.230 nan 0.000 0.512 149 T N 4.967 119.424 114.554 -0.162 0.000 2.899 149 T HA 0.470 4.820 4.350 -0.000 0.000 0.295 149 T C 0.014 174.545 174.700 -0.282 0.000 1.033 149 T CA -0.235 61.749 62.100 -0.193 0.000 1.084 149 T CB 0.967 69.737 68.868 -0.163 0.000 0.979 149 T HN 0.965 nan 8.240 nan 0.000 0.532 150 V N 0.801 120.536 119.914 -0.297 0.000 2.914 150 V HA 0.815 4.935 4.120 -0.000 0.000 0.314 150 V C -0.760 175.221 176.094 -0.189 0.000 1.084 150 V CA -1.261 60.833 62.300 -0.345 0.000 0.963 150 V CB 1.967 33.394 31.823 -0.660 0.000 1.025 150 V HN 0.811 nan 8.190 nan 0.000 0.432 151 R N 2.279 122.727 120.500 -0.087 0.000 2.574 151 R HA 0.506 4.845 4.340 -0.000 0.000 0.288 151 R C -1.380 175.049 176.300 0.214 0.000 1.004 151 R CA -0.717 55.382 56.100 -0.001 0.000 0.895 151 R CB 2.007 32.238 30.300 -0.116 0.000 1.191 151 R HN 0.801 nan 8.270 nan 0.000 0.444 152 N N 2.190 121.003 118.700 0.188 0.000 2.439 152 N HA 0.117 4.857 4.740 -0.000 0.000 0.249 152 N C -0.047 175.565 175.510 0.171 0.000 1.003 152 N CA -0.254 52.926 53.050 0.216 0.000 0.942 152 N CB 2.061 40.691 38.487 0.239 0.000 1.115 152 N HN 0.362 nan 8.380 nan 0.000 0.505 153 V N 1.220 121.234 119.914 0.166 0.000 2.154 153 V HA 0.342 4.462 4.120 -0.000 0.000 0.265 153 V C -0.271 175.850 176.094 0.046 0.000 1.293 153 V CA -0.847 61.493 62.300 0.067 0.000 1.205 153 V CB -1.768 30.163 31.823 0.179 0.000 1.306 153 V HN 0.383 nan 8.190 nan 0.000 0.479 154 Y N 2.328 122.711 120.300 0.137 0.000 2.374 154 Y HA 0.812 5.362 4.550 -0.000 0.000 0.322 154 Y C 0.440 176.386 175.900 0.077 0.000 1.275 154 Y CA -2.208 55.951 58.100 0.098 0.000 1.307 154 Y CB 0.561 39.131 38.460 0.184 0.000 1.282 154 Y HN 0.511 nan 8.280 nan 0.000 0.509 155 I N -0.307 120.402 120.570 0.232 0.000 2.764 155 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 155 I C 0.700 176.911 176.117 0.156 0.000 1.045 155 I CA -0.972 60.386 61.300 0.098 0.000 1.340 155 I CB 1.180 39.170 38.000 -0.017 0.000 1.436 155 I HN 0.730 nan 8.210 nan 0.000 0.567 156 K N 1.860 122.286 120.400 0.043 0.000 2.113 156 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 156 K C 1.502 178.121 176.600 0.032 0.000 1.047 156 K CA 2.031 58.352 56.287 0.058 0.000 0.928 156 K CB -0.223 32.273 32.500 -0.007 0.000 0.716 156 K HN 0.640 nan 8.250 nan 0.000 0.446 157 E N 0.659 120.798 120.200 -0.101 0.000 2.347 157 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 157 E C 1.720 178.259 176.600 -0.103 0.000 1.008 157 E CA 0.756 57.064 56.400 -0.154 0.000 0.852 157 E CB -0.251 29.198 29.700 -0.418 0.000 0.783 157 E HN 0.323 nan 8.360 nan 0.000 0.505 158 A N 0.706 123.483 122.820 -0.071 0.000 1.863 158 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 158 A C 1.531 178.863 177.584 -0.420 0.000 1.233 158 A CA 1.814 53.705 52.037 -0.244 0.000 0.655 158 A CB -0.943 17.928 19.000 -0.216 0.000 0.839 158 A HN 0.332 nan 8.150 nan 0.000 0.454 159 F N 0.039 119.873 119.950 -0.193 0.000 2.732 159 F HA 0.187 4.714 4.527 -0.000 0.000 0.303 159 F C 0.608 176.340 175.800 -0.113 0.000 1.110 159 F CA -0.317 57.567 58.000 -0.193 0.000 1.355 159 F CB 0.221 39.082 39.000 -0.231 0.000 1.081 159 F HN 0.139 nan 8.300 nan 0.000 0.565 160 D N 1.083 121.506 120.400 0.038 0.000 2.453 160 D HA -0.001 4.639 4.640 -0.000 0.000 0.223 160 D C 1.352 177.645 176.300 -0.012 0.000 1.183 160 D CA 0.250 54.262 54.000 0.020 0.000 0.933 160 D CB 0.866 41.672 40.800 0.010 0.000 1.038 160 D HN 0.243 nan 8.370 nan 0.000 0.513 161 T N -0.083 114.466 114.554 -0.009 0.000 3.098 161 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 161 T C 1.730 176.420 174.700 -0.016 0.000 1.145 161 T CA 0.584 62.670 62.100 -0.022 0.000 1.092 161 T CB 0.138 68.997 68.868 -0.016 0.000 0.908 161 T HN 0.289 nan 8.240 nan 0.000 0.526 162 G N 0.751 109.547 108.800 -0.007 0.000 2.494 162 G HA2 0.301 4.261 3.960 -0.000 0.000 0.216 162 G HA3 0.301 4.261 3.960 -0.000 0.000 0.216 162 G C 0.350 175.248 174.900 -0.003 0.000 1.140 162 G CA 0.057 45.154 45.100 -0.005 0.000 0.801 162 G HN 0.525 nan 8.290 nan 0.000 0.536 163 V N 0.737 120.650 119.914 -0.001 0.000 2.667 163 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 163 V C -0.071 176.034 176.094 0.017 0.000 1.048 163 V CA -1.186 61.120 62.300 0.011 0.000 0.928 163 V CB 1.774 33.605 31.823 0.014 0.000 1.004 163 V HN 0.480 nan 8.190 nan 0.000 0.444 164 R N 2.824 123.342 120.500 0.030 0.000 2.294 164 R HA 0.647 4.987 4.340 -0.000 0.000 0.319 164 R C -1.686 174.672 176.300 0.096 0.000 0.984 164 R CA -0.536 55.578 56.100 0.023 0.000 0.861 164 R CB 1.048 31.341 30.300 -0.011 0.000 1.104 164 R HN 0.658 nan 8.270 nan 0.000 0.451 165 Y N 2.361 122.604 120.300 -0.094 0.000 2.421 165 Y HA 0.218 4.768 4.550 -0.000 0.000 0.339 165 Y C 0.048 175.851 175.900 -0.161 0.000 0.996 165 Y CA -1.017 57.033 58.100 -0.084 0.000 1.046 165 Y CB 2.136 40.563 38.460 -0.055 0.000 1.226 165 Y HN 0.748 nan 8.280 nan 0.000 0.445 166 D N 3.876 123.919 120.400 -0.595 0.000 2.144 166 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 166 D C -0.267 175.441 176.300 -0.986 0.000 0.984 166 D CA 1.954 55.527 54.000 -0.713 0.000 0.834 166 D CB 0.121 40.540 40.800 -0.635 0.000 0.955 166 D HN 0.341 nan 8.370 nan 0.000 0.465 167 F N 0.238 119.991 119.950 -0.329 0.000 2.622 167 F HA 0.292 4.819 4.527 -0.000 0.000 0.338 167 F C 1.196 177.118 175.800 0.203 0.000 1.334 167 F CA -0.596 57.365 58.000 -0.065 0.000 1.179 167 F CB 0.934 39.907 39.000 -0.046 0.000 1.471 167 F HN -0.401 nan 8.300 nan 0.000 0.576 168 K N 0.458 120.968 120.400 0.184 0.000 2.442 168 K HA -0.021 4.299 4.320 -0.000 0.000 0.198 168 K C 1.959 178.543 176.600 -0.027 0.000 1.042 168 K CA 0.834 57.174 56.287 0.089 0.000 0.958 168 K CB 0.075 32.514 32.500 -0.103 0.000 0.766 168 K HN 0.702 nan 8.250 nan 0.000 0.474 169 G N 0.669 109.473 108.800 0.007 0.000 2.985 169 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 169 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 169 G C 0.143 175.071 174.900 0.047 0.000 1.165 169 G CA -0.375 44.707 45.100 -0.030 0.000 0.776 169 G HN 0.262 nan 8.290 nan 0.000 0.541 170 N N -0.089 118.703 118.700 0.154 0.000 2.329 170 N HA 0.064 4.803 4.740 -0.000 0.000 0.237 170 N C -0.661 174.947 175.510 0.163 0.000 1.258 170 N CA -0.152 53.017 53.050 0.199 0.000 0.866 170 N CB 0.461 39.104 38.487 0.260 0.000 1.102 170 N HN 0.004 nan 8.380 nan 0.000 0.440 171 F N 0.543 120.547 119.950 0.090 0.000 2.459 171 F HA -0.003 4.524 4.527 -0.000 0.000 0.346 171 F C 1.165 176.999 175.800 0.056 0.000 1.128 171 F CA -0.101 57.947 58.000 0.080 0.000 1.268 171 F CB 0.458 39.489 39.000 0.052 0.000 1.161 171 F HN 0.377 nan 8.300 nan 0.000 0.583 172 D N 3.890 124.428 120.400 0.230 0.000 2.453 172 D HA 0.105 4.745 4.640 -0.000 0.000 0.223 172 D C 1.094 177.464 176.300 0.117 0.000 1.183 172 D CA 0.153 54.222 54.000 0.115 0.000 0.933 172 D CB 0.207 41.028 40.800 0.036 0.000 1.038 172 D HN 0.497 nan 8.370 nan 0.000 0.513 173 L N 2.480 123.763 121.223 0.100 0.000 2.013 173 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 173 L C 2.159 179.032 176.870 0.005 0.000 1.073 173 L CA 1.317 56.182 54.840 0.042 0.000 0.753 173 L CB -0.267 41.802 42.059 0.017 0.000 0.890 173 L HN 0.414 nan 8.230 nan 0.000 0.432 174 E N -0.171 120.032 120.200 0.005 0.000 2.152 174 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 174 E C 2.258 178.843 176.600 -0.024 0.000 0.983 174 E CA 0.870 57.263 56.400 -0.010 0.000 0.818 174 E CB -0.247 29.449 29.700 -0.006 0.000 0.758 174 E HN 0.584 nan 8.360 nan 0.000 0.467 175 G N 1.700 110.490 108.800 -0.016 0.000 2.418 175 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 175 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 175 G C 1.579 176.432 174.900 -0.079 0.000 1.158 175 G CA 0.499 45.583 45.100 -0.027 0.000 0.771 175 G HN 0.145 nan 8.290 nan 0.000 0.545 176 L N 0.798 121.968 121.223 -0.089 0.000 2.017 176 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 176 L C 2.631 179.303 176.870 -0.331 0.000 1.073 176 L CA 2.672 57.355 54.840 -0.262 0.000 0.745 176 L CB -0.694 41.296 42.059 -0.115 0.000 0.894 176 L HN 0.293 nan 8.230 nan 0.000 0.432 177 E N 0.004 120.113 120.200 -0.152 0.000 2.058 177 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 177 E C 2.488 179.014 176.600 -0.123 0.000 0.997 177 E CA 1.808 58.156 56.400 -0.086 0.000 0.801 177 E CB -0.359 29.336 29.700 -0.009 0.000 0.746 177 E HN 0.454 nan 8.360 nan 0.000 0.450 178 R N -0.666 119.774 120.500 -0.099 0.000 2.081 178 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 178 R C 2.342 178.589 176.300 -0.089 0.000 1.131 178 R CA 1.585 57.642 56.100 -0.071 0.000 0.960 178 R CB -0.716 29.561 30.300 -0.039 0.000 0.856 178 R HN 0.336 nan 8.270 nan 0.000 0.436 179 G N 1.011 109.719 108.800 -0.153 0.000 2.421 179 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 179 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 179 G C 1.477 176.322 174.900 -0.092 0.000 1.171 179 G CA 0.887 45.945 45.100 -0.070 0.000 0.775 179 G HN 0.272 nan 8.290 nan 0.000 0.543 180 I N 0.609 120.946 120.570 -0.389 0.000 2.179 180 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 180 I C 2.650 178.617 176.117 -0.250 0.000 1.088 180 I CA 1.622 62.731 61.300 -0.320 0.000 1.357 180 I CB -0.250 37.429 38.000 -0.535 0.000 1.051 180 I HN 0.241 nan 8.210 nan 0.000 0.409 181 E N 1.493 121.555 120.200 -0.231 0.000 2.038 181 E HA -0.308 4.042 4.350 -0.000 0.000 0.195 181 E C 2.062 178.619 176.600 -0.073 0.000 1.000 181 E CA 1.941 58.254 56.400 -0.144 0.000 0.803 181 E CB -0.201 29.452 29.700 -0.078 0.000 0.750 181 E HN 0.445 nan 8.360 nan 0.000 0.448 182 E N -0.487 119.691 120.200 -0.037 0.000 2.038 182 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 182 E C 2.033 178.641 176.600 0.012 0.000 1.000 182 E CA 1.854 58.255 56.400 0.001 0.000 0.803 182 E CB -0.006 29.712 29.700 0.031 0.000 0.750 182 E HN 0.262 nan 8.360 nan 0.000 0.448 183 V N -0.151 119.788 119.914 0.042 0.000 2.488 183 V HA 0.053 4.172 4.120 -0.000 0.000 0.246 183 V C 1.029 177.126 176.094 0.005 0.000 1.046 183 V CA 1.023 63.350 62.300 0.046 0.000 1.053 183 V CB -0.292 31.607 31.823 0.126 0.000 0.679 183 V HN 0.563 nan 8.190 nan 0.000 0.458 184 G N 0.819 109.599 108.800 -0.033 0.000 3.434 184 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.686 184 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.686 184 G C -1.349 173.508 174.900 -0.071 0.000 1.099 184 G CA -0.198 44.869 45.100 -0.055 0.000 0.931 184 G HN 0.185 nan 8.290 nan 0.000 0.520 185 P HA -0.198 nan 4.420 nan 0.000 0.217 185 P C 1.393 178.684 177.300 -0.015 0.000 1.148 185 P CA 1.296 64.317 63.100 -0.132 0.000 0.834 185 P CB 0.112 31.718 31.700 -0.157 0.000 0.783 186 N N 0.036 118.735 118.700 -0.001 0.000 2.381 186 N HA -0.076 4.663 4.740 -0.000 0.000 0.182 186 N C 1.155 176.677 175.510 0.020 0.000 1.025 186 N CA 0.877 53.939 53.050 0.020 0.000 0.888 186 N CB -0.660 37.837 38.487 0.016 0.000 0.965 186 N HN 0.420 nan 8.380 nan 0.000 0.438 187 N N -0.247 118.459 118.700 0.010 0.000 2.336 187 N HA 0.069 4.808 4.740 -0.000 0.000 0.189 187 N C -0.608 174.909 175.510 0.012 0.000 1.113 187 N CA -0.109 52.946 53.050 0.008 0.000 0.858 187 N CB 0.862 39.349 38.487 -0.000 0.000 0.970 187 N HN -0.117 nan 8.380 nan 0.000 0.471 188 V N 3.101 123.037 119.914 0.036 0.000 2.277 188 V HA 0.162 4.282 4.120 -0.000 0.000 0.269 188 V C -1.302 174.824 176.094 0.053 0.000 1.036 188 V CA -1.298 61.037 62.300 0.059 0.000 0.821 188 V CB 1.236 33.145 31.823 0.143 0.000 1.052 188 V HN 0.056 nan 8.190 nan 0.000 0.462 189 P HA -0.088 nan 4.420 nan 0.000 0.218 189 P C -0.209 177.266 177.300 0.292 0.000 1.149 189 P CA 1.579 64.748 63.100 0.116 0.000 0.817 189 P CB 0.237 32.005 31.700 0.113 0.000 0.785 190 Y N -3.659 116.786 120.300 0.241 0.000 2.774 190 Y HA 0.632 5.182 4.550 -0.000 0.000 0.346 190 Y C -1.342 174.760 175.900 0.335 0.000 1.222 190 Y CA -1.629 56.640 58.100 0.281 0.000 1.088 190 Y CB 0.147 38.795 38.460 0.313 0.000 1.354 190 Y HN -0.342 nan 8.280 nan 0.000 0.455 191 I N 2.195 123.059 120.570 0.491 0.000 2.466 191 I HA 0.563 4.733 4.170 -0.000 0.000 0.289 191 I C -1.163 175.223 176.117 0.449 0.000 1.026 191 I CA -1.244 60.318 61.300 0.435 0.000 1.078 191 I CB 2.164 40.348 38.000 0.306 0.000 1.249 191 I HN 0.492 nan 8.210 nan 0.000 0.429 192 V N 5.440 125.584 119.914 0.384 0.000 2.370 192 V HA 0.571 4.691 4.120 -0.000 0.000 0.283 192 V C 0.292 176.536 176.094 0.251 0.000 1.023 192 V CA -0.559 61.908 62.300 0.280 0.000 0.857 192 V CB 1.510 33.483 31.823 0.250 0.000 0.985 192 V HN 0.804 nan 8.190 nan 0.000 0.443 193 A N 3.662 126.669 122.820 0.312 0.000 2.280 193 A HA 0.644 4.964 4.320 -0.000 0.000 0.320 193 A C 0.333 178.049 177.584 0.221 0.000 1.366 193 A CA -0.336 51.934 52.037 0.389 0.000 0.938 193 A CB 0.172 19.414 19.000 0.404 0.000 1.157 193 A HN 0.725 nan 8.150 nan 0.000 0.536 194 T N 3.980 118.634 114.554 0.166 0.000 2.728 194 T HA 0.524 4.874 4.350 -0.000 0.000 0.296 194 T C 0.064 174.914 174.700 0.251 0.000 0.940 194 T CA 0.164 62.411 62.100 0.245 0.000 1.013 194 T CB -0.159 68.898 68.868 0.314 0.000 0.912 194 T HN 0.658 nan 8.240 nan 0.000 0.484 195 I N 0.506 121.243 120.570 0.280 0.000 2.478 195 I HA 0.560 4.730 4.170 -0.000 0.000 0.287 195 I C 0.325 176.647 176.117 0.342 0.000 1.042 195 I CA -1.048 60.423 61.300 0.285 0.000 1.067 195 I CB 1.944 40.086 38.000 0.236 0.000 1.233 195 I HN 0.487 nan 8.210 nan 0.000 0.431 196 T N 1.971 116.756 114.554 0.385 0.000 2.766 196 T HA 0.199 4.548 4.350 -0.000 0.000 0.295 196 T C 0.484 175.410 174.700 0.378 0.000 1.024 196 T CA -0.488 61.828 62.100 0.360 0.000 1.018 196 T CB 1.310 70.416 68.868 0.398 0.000 1.002 196 T HN 0.685 nan 8.240 nan 0.000 0.532 197 S N 0.071 115.879 115.700 0.180 0.000 2.564 197 S HA 0.116 4.586 4.470 -0.000 0.000 0.278 197 S C 1.042 175.620 174.600 -0.038 0.000 1.333 197 S CA -0.664 57.590 58.200 0.091 0.000 1.048 197 S CB -0.036 63.130 63.200 -0.056 0.000 0.900 197 S HN 0.777 nan 8.310 nan 0.000 0.505 198 N N 2.356 121.018 118.700 -0.065 0.000 2.449 198 N HA 0.030 4.769 4.740 -0.000 0.000 0.191 198 N C 0.090 175.349 175.510 -0.419 0.000 1.161 198 N CA 0.102 53.004 53.050 -0.247 0.000 0.863 198 N CB -0.046 37.978 38.487 -0.772 0.000 0.980 198 N HN 0.576 nan 8.380 nan 0.000 0.458 199 S N -0.539 114.756 115.700 -0.675 0.000 2.580 199 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 199 S C 0.848 174.896 174.600 -0.921 0.000 1.329 199 S CA -0.240 57.266 58.200 -1.157 0.000 1.036 199 S CB 1.281 63.586 63.200 -1.491 0.000 0.919 199 S HN 0.513 nan 8.310 nan 0.000 0.515 200 A N 1.473 123.687 122.820 -1.009 0.000 2.704 200 A HA 0.092 4.412 4.320 -0.000 0.000 0.299 200 A C 1.617 179.013 177.584 -0.315 0.000 1.507 200 A CA 1.012 52.666 52.037 -0.639 0.000 0.776 200 A CB -2.225 16.321 19.000 -0.758 0.000 1.027 200 A HN 2.895 nan 8.150 nan 0.000 0.475 201 G N -2.532 106.176 108.800 -0.153 0.000 2.162 201 G HA2 0.384 4.344 3.960 -0.000 0.000 0.260 201 G HA3 0.384 4.344 3.960 -0.000 0.000 0.260 201 G C 1.060 175.802 174.900 -0.262 0.000 0.976 201 G CA 0.938 46.063 45.100 0.042 0.000 0.655 201 G HN 3.202 nan 8.290 nan 0.000 0.533 202 G N -1.525 106.915 108.800 -0.600 0.000 3.353 202 G HA2 0.453 4.413 3.960 -0.000 0.000 0.682 202 G HA3 0.453 4.413 3.960 -0.000 0.000 0.682 202 G C -0.836 173.751 174.900 -0.521 0.000 1.192 202 G CA 0.119 44.593 45.100 -1.042 0.000 1.111 202 G HN 0.971 nan 8.290 nan 0.000 0.493 203 Q N 2.086 121.631 119.800 -0.425 0.000 2.331 203 Q HA 0.557 4.896 4.340 -0.000 0.000 0.272 203 Q C -2.507 173.368 176.000 -0.209 0.000 1.062 203 Q CA -1.690 53.899 55.803 -0.357 0.000 0.806 203 Q CB 3.400 31.936 28.738 -0.336 0.000 1.312 203 Q HN 0.507 nan 8.270 nan 0.000 0.431 204 P HA 0.187 nan 4.420 nan 0.000 0.272 204 P C -0.528 176.937 177.300 0.274 0.000 1.230 204 P CA -0.283 62.839 63.100 0.037 0.000 0.788 204 P CB 0.905 32.568 31.700 -0.061 0.000 0.949 205 V N 1.136 121.252 119.914 0.338 0.000 2.448 205 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 205 V C 0.820 176.955 176.094 0.068 0.000 1.025 205 V CA -0.577 61.867 62.300 0.241 0.000 0.859 205 V CB 1.299 33.233 31.823 0.184 0.000 0.988 205 V HN 0.737 nan 8.190 nan 0.000 0.431 206 S N 4.480 119.977 115.700 -0.339 0.000 2.592 206 S HA 0.378 4.847 4.470 -0.000 0.000 0.271 206 S C 0.996 175.370 174.600 -0.376 0.000 1.326 206 S CA -0.452 57.237 58.200 -0.852 0.000 1.024 206 S CB 0.997 63.461 63.200 -1.227 0.000 0.921 206 S HN 0.646 nan 8.310 nan 0.000 0.527 207 L N 1.752 122.758 121.223 -0.361 0.000 2.141 207 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 207 L C 2.815 179.528 176.870 -0.262 0.000 1.094 207 L CA 1.489 56.154 54.840 -0.291 0.000 0.763 207 L CB -0.885 40.892 42.059 -0.469 0.000 0.908 207 L HN 1.000 nan 8.230 nan 0.000 0.437 208 A N -0.110 122.580 122.820 -0.215 0.000 1.933 208 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 208 A C 1.960 179.434 177.584 -0.184 0.000 1.175 208 A CA 2.164 54.090 52.037 -0.184 0.000 0.628 208 A CB -0.740 18.172 19.000 -0.146 0.000 0.814 208 A HN 0.545 nan 8.150 nan 0.000 0.444 209 N N -0.224 118.379 118.700 -0.162 0.000 2.142 209 N HA -0.052 4.688 4.740 -0.000 0.000 0.186 209 N C 1.571 177.025 175.510 -0.093 0.000 1.023 209 N CA 1.349 54.355 53.050 -0.073 0.000 0.852 209 N CB -0.312 38.185 38.487 0.016 0.000 0.998 209 N HN 0.456 nan 8.380 nan 0.000 0.424 210 L N 0.216 121.370 121.223 -0.116 0.000 2.083 210 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 210 L C 2.207 178.945 176.870 -0.220 0.000 1.083 210 L CA 1.131 55.904 54.840 -0.113 0.000 0.752 210 L CB -0.309 41.714 42.059 -0.060 0.000 0.899 210 L HN 0.209 nan 8.230 nan 0.000 0.433 211 K N 0.079 120.199 120.400 -0.467 0.000 2.026 211 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 211 K C 2.261 178.714 176.600 -0.244 0.000 1.048 211 K CA 1.388 57.262 56.287 -0.690 0.000 0.929 211 K CB -0.313 31.706 32.500 -0.802 0.000 0.713 211 K HN 0.260 nan 8.250 nan 0.000 0.439 212 A N 1.819 124.523 122.820 -0.193 0.000 1.902 212 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 212 A C 2.131 179.640 177.584 -0.124 0.000 1.181 212 A CA 1.452 53.415 52.037 -0.123 0.000 0.623 212 A CB -0.483 18.458 19.000 -0.098 0.000 0.818 212 A HN 0.268 nan 8.150 nan 0.000 0.443 213 M N -1.681 117.810 119.600 -0.182 0.000 2.117 213 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 213 M C 2.039 178.246 176.300 -0.155 0.000 1.065 213 M CA 1.950 57.071 55.300 -0.299 0.000 1.114 213 M CB -0.772 31.411 32.600 -0.694 0.000 1.361 213 M HN 0.505 nan 8.290 nan 0.000 0.408 214 Y N 1.479 121.684 120.300 -0.158 0.000 2.293 214 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 214 Y C 2.775 178.665 175.900 -0.017 0.000 1.137 214 Y CA 2.131 60.211 58.100 -0.034 0.000 1.202 214 Y CB -0.490 38.048 38.460 0.129 0.000 0.990 214 Y HN 0.555 nan 8.280 nan 0.000 0.537 215 S N -0.362 115.321 115.700 -0.028 0.000 2.382 215 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 215 S C 2.043 176.542 174.600 -0.168 0.000 1.027 215 S CA 1.548 59.690 58.200 -0.096 0.000 0.991 215 S CB -1.020 62.151 63.200 -0.048 0.000 0.823 215 S HN 0.504 nan 8.310 nan 0.000 0.469 216 I N 2.318 122.804 120.570 -0.141 0.000 2.179 216 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 216 I C 3.129 179.193 176.117 -0.089 0.000 1.088 216 I CA 1.213 62.443 61.300 -0.117 0.000 1.357 216 I CB -0.711 37.251 38.000 -0.064 0.000 1.051 216 I HN 0.441 nan 8.210 nan 0.000 0.409 217 A N 0.635 123.386 122.820 -0.114 0.000 1.902 217 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 217 A C 2.394 179.889 177.584 -0.148 0.000 1.181 217 A CA 1.930 53.922 52.037 -0.074 0.000 0.623 217 A CB -0.549 18.391 19.000 -0.100 0.000 0.818 217 A HN 0.365 nan 8.150 nan 0.000 0.443 218 K N -0.067 120.125 120.400 -0.347 0.000 2.097 218 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 218 K C 2.135 178.615 176.600 -0.200 0.000 1.049 218 K CA 1.726 57.819 56.287 -0.324 0.000 0.933 218 K CB -0.196 32.047 32.500 -0.428 0.000 0.717 218 K HN 0.437 nan 8.250 nan 0.000 0.442 219 K N -0.305 119.938 120.400 -0.262 0.000 2.103 219 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 219 K C 1.129 177.499 176.600 -0.384 0.000 1.048 219 K CA 1.632 57.699 56.287 -0.367 0.000 0.930 219 K CB -0.063 32.103 32.500 -0.557 0.000 0.716 219 K HN 0.290 nan 8.250 nan 0.000 0.444 220 Y N -0.013 120.251 120.300 -0.059 0.000 2.468 220 Y HA 0.056 4.606 4.550 -0.000 0.000 0.268 220 Y C -0.015 175.878 175.900 -0.012 0.000 1.177 220 Y CA -0.219 57.862 58.100 -0.031 0.000 1.265 220 Y CB 0.533 38.975 38.460 -0.031 0.000 1.103 220 Y HN 0.169 nan 8.280 nan 0.000 0.522 221 D N 1.327 121.773 120.400 0.077 0.000 2.689 221 D HA -0.222 4.417 4.640 -0.000 0.000 0.237 221 D C -0.714 175.660 176.300 0.124 0.000 1.148 221 D CA 0.545 54.591 54.000 0.076 0.000 0.656 221 D CB -1.232 39.611 40.800 0.071 0.000 1.050 221 D HN 0.369 nan 8.370 nan 0.000 0.426 222 I N 0.422 121.072 120.570 0.132 0.000 2.336 222 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 222 I C -1.809 174.438 176.117 0.217 0.000 0.991 222 I CA -2.130 59.275 61.300 0.174 0.000 1.227 222 I CB 1.533 39.633 38.000 0.166 0.000 1.366 222 I HN -0.111 nan 8.210 nan 0.000 0.466 223 P HA 0.034 nan 4.420 nan 0.000 0.265 223 P C -0.859 176.627 177.300 0.311 0.000 1.193 223 P CA 0.007 63.356 63.100 0.414 0.000 0.765 223 P CB 0.573 32.587 31.700 0.523 0.000 0.823 224 V N 4.949 124.997 119.914 0.222 0.000 2.409 224 V HA 0.266 4.386 4.120 -0.000 0.000 0.291 224 V C 0.028 176.181 176.094 0.098 0.000 1.020 224 V CA -0.553 61.871 62.300 0.208 0.000 0.848 224 V CB 2.022 34.015 31.823 0.283 0.000 0.990 224 V HN 0.202 nan 8.190 nan 0.000 0.430 225 V N 5.949 125.923 119.914 0.100 0.000 2.417 225 V HA 0.458 4.577 4.120 -0.000 0.000 0.291 225 V C -0.032 176.081 176.094 0.032 0.000 1.024 225 V CA -0.568 61.708 62.300 -0.040 0.000 0.861 225 V CB 1.631 33.300 31.823 -0.257 0.000 0.985 225 V HN 0.881 nan 8.190 nan 0.000 0.436 226 M N 4.512 124.116 119.600 0.007 0.000 2.077 226 M HA 0.321 4.801 4.480 -0.000 0.000 0.348 226 M C -0.212 176.119 176.300 0.052 0.000 1.252 226 M CA -0.030 55.286 55.300 0.026 0.000 1.096 226 M CB 0.468 33.021 32.600 -0.078 0.000 1.568 226 M HN 0.654 nan 8.290 nan 0.000 0.456 227 D N 2.996 123.463 120.400 0.112 0.000 2.393 227 D HA 0.162 4.802 4.640 -0.000 0.000 0.232 227 D C -0.642 175.744 176.300 0.143 0.000 1.192 227 D CA 0.142 54.219 54.000 0.128 0.000 0.882 227 D CB 0.627 41.554 40.800 0.213 0.000 1.038 227 D HN 0.669 nan 8.370 nan 0.000 0.499 228 S N 2.100 117.867 115.700 0.112 0.000 2.499 228 S HA 0.395 4.865 4.470 -0.000 0.000 0.238 228 S C 1.300 176.046 174.600 0.242 0.000 1.205 228 S CA -0.397 57.932 58.200 0.215 0.000 1.203 228 S CB 1.043 64.422 63.200 0.299 0.000 0.954 228 S HN 0.381 nan 8.310 nan 0.000 0.484 229 A N 2.322 125.213 122.820 0.119 0.000 1.978 229 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 229 A C 1.735 179.444 177.584 0.208 0.000 1.170 229 A CA 0.948 53.044 52.037 0.098 0.000 0.636 229 A CB -0.223 18.729 19.000 -0.080 0.000 0.810 229 A HN 0.590 nan 8.150 nan 0.000 0.448 230 R N -0.435 120.201 120.500 0.227 0.000 2.997 230 R HA 0.235 4.575 4.340 -0.000 0.000 0.358 230 R C 0.689 177.139 176.300 0.249 0.000 1.191 230 R CA -0.101 56.121 56.100 0.204 0.000 1.113 230 R CB -0.082 30.326 30.300 0.180 0.000 1.433 230 R HN 0.667 nan 8.270 nan 0.000 0.584 231 F N -0.640 119.445 119.950 0.225 0.000 2.216 231 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 231 F C 1.897 177.851 175.800 0.258 0.000 1.085 231 F CA 1.058 59.234 58.000 0.292 0.000 1.326 231 F CB -0.335 38.914 39.000 0.416 0.000 1.027 231 F HN 0.029 nan 8.300 nan 0.000 0.497 232 A N 0.582 122.854 122.820 -0.913 0.000 1.897 232 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 232 A C 2.207 179.687 177.584 -0.173 0.000 1.181 232 A CA 1.417 53.074 52.037 -0.633 0.000 0.620 232 A CB -0.897 17.660 19.000 -0.738 0.000 0.821 232 A HN 0.519 nan 8.150 nan 0.000 0.443 233 E N -0.497 119.644 120.200 -0.097 0.000 2.150 233 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 233 E C 1.893 178.607 176.600 0.190 0.000 0.985 233 E CA 1.159 57.551 56.400 -0.015 0.000 0.814 233 E CB -0.178 29.564 29.700 0.069 0.000 0.752 233 E HN 0.688 nan 8.360 nan 0.000 0.466 234 N N 0.478 119.342 118.700 0.273 0.000 2.142 234 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 234 N C 1.650 177.334 175.510 0.290 0.000 1.023 234 N CA 1.332 54.608 53.050 0.376 0.000 0.852 234 N CB -0.041 38.637 38.487 0.317 0.000 0.998 234 N HN 0.128 nan 8.380 nan 0.000 0.424 235 A N -0.597 122.337 122.820 0.191 0.000 1.933 235 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 235 A C 2.123 179.776 177.584 0.114 0.000 1.175 235 A CA 1.323 53.445 52.037 0.143 0.000 0.628 235 A CB -1.165 17.916 19.000 0.135 0.000 0.814 235 A HN 0.600 nan 8.150 nan 0.000 0.444 236 Y N -0.729 119.541 120.300 -0.049 0.000 2.200 236 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 236 Y C 1.843 177.667 175.900 -0.127 0.000 1.137 236 Y CA 1.715 59.724 58.100 -0.151 0.000 1.163 236 Y CB -0.403 37.848 38.460 -0.347 0.000 0.988 236 Y HN 0.263 nan 8.280 nan 0.000 0.518 237 F N -0.102 119.866 119.950 0.028 0.000 2.234 237 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 237 F C 2.259 178.075 175.800 0.027 0.000 1.087 237 F CA 1.296 59.261 58.000 -0.058 0.000 1.340 237 F CB -0.691 38.318 39.000 0.016 0.000 1.031 237 F HN 0.060 nan 8.300 nan 0.000 0.500 238 I N -0.182 120.582 120.570 0.323 0.000 2.252 238 I HA -0.299 3.870 4.170 -0.000 0.000 0.245 238 I C 2.520 178.728 176.117 0.152 0.000 1.102 238 I CA 1.335 62.817 61.300 0.304 0.000 1.385 238 I CB -0.428 37.623 38.000 0.085 0.000 1.064 238 I HN 0.050 nan 8.210 nan 0.000 0.414 239 K N 0.734 121.144 120.400 0.016 0.000 2.147 239 K HA -0.251 4.069 4.320 -0.000 0.000 0.205 239 K C 2.193 178.733 176.600 -0.100 0.000 1.049 239 K CA 1.459 57.734 56.287 -0.020 0.000 0.936 239 K CB -0.012 32.456 32.500 -0.053 0.000 0.722 239 K HN 0.324 nan 8.250 nan 0.000 0.446 240 Q N -0.066 119.589 119.800 -0.241 0.000 2.163 240 Q HA -0.067 4.273 4.340 -0.000 0.000 0.198 240 Q C 1.451 177.407 176.000 -0.073 0.000 0.954 240 Q CA 0.964 56.624 55.803 -0.239 0.000 0.851 240 Q CB 0.338 28.813 28.738 -0.439 0.000 0.928 240 Q HN 0.262 nan 8.270 nan 0.000 0.459 241 R N -0.408 120.101 120.500 0.016 0.000 2.316 241 R HA 0.177 4.517 4.340 -0.000 0.000 0.201 241 R C 0.074 176.506 176.300 0.220 0.000 0.888 241 R CA 0.006 56.134 56.100 0.045 0.000 1.041 241 R CB 0.592 30.770 30.300 -0.203 0.000 1.115 241 R HN 0.065 nan 8.270 nan 0.000 0.559 242 E N 1.247 121.632 120.200 0.308 0.000 2.014 242 E HA 0.241 4.591 4.350 -0.000 0.000 0.275 242 E C 0.598 177.222 176.600 0.041 0.000 0.997 242 E CA -0.249 56.268 56.400 0.195 0.000 0.804 242 E CB 1.054 30.855 29.700 0.168 0.000 1.090 242 E HN 0.226 nan 8.360 nan 0.000 0.401 243 A N 5.049 127.859 122.820 -0.016 0.000 1.940 243 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 243 A C 1.842 179.325 177.584 -0.168 0.000 1.190 243 A CA 1.612 53.608 52.037 -0.068 0.000 0.647 243 A CB -0.366 18.598 19.000 -0.061 0.000 0.821 243 A HN 0.726 nan 8.150 nan 0.000 0.457 244 E N -1.297 118.700 120.200 -0.338 0.000 2.160 244 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 244 E C 0.805 176.875 176.600 -0.883 0.000 0.991 244 E CA 1.261 57.276 56.400 -0.641 0.000 0.810 244 E CB -0.214 28.900 29.700 -0.977 0.000 0.742 244 E HN 0.870 nan 8.360 nan 0.000 0.466 245 Y N -0.092 120.008 120.300 -0.333 0.000 2.555 245 Y HA 0.192 4.741 4.550 -0.000 0.000 0.259 245 Y C 1.828 177.677 175.900 -0.086 0.000 1.179 245 Y CA -0.350 57.460 58.100 -0.484 0.000 1.230 245 Y CB 0.120 38.245 38.460 -0.558 0.000 1.146 245 Y HN -0.122 nan 8.280 nan 0.000 0.526 246 K N 0.760 121.187 120.400 0.046 0.000 2.074 246 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 246 K C 0.364 177.052 176.600 0.147 0.000 1.048 246 K CA 2.127 58.461 56.287 0.078 0.000 0.926 246 K CB 0.006 32.528 32.500 0.036 0.000 0.713 246 K HN 0.263 nan 8.250 nan 0.000 0.444 247 D N -0.866 119.675 120.400 0.235 0.000 2.340 247 D HA 0.008 4.648 4.640 -0.000 0.000 0.217 247 D C -0.389 176.109 176.300 0.330 0.000 1.081 247 D CA 0.103 54.244 54.000 0.235 0.000 0.842 247 D CB 0.072 40.976 40.800 0.174 0.000 0.934 247 D HN 0.131 nan 8.370 nan 0.000 0.511 248 W N 2.244 123.601 121.300 0.095 0.000 2.237 248 W HA 0.192 4.852 4.660 -0.000 0.000 0.335 248 W C 1.231 177.803 176.519 0.087 0.000 1.230 248 W CA -0.782 56.631 57.345 0.112 0.000 1.253 248 W CB 0.368 29.944 29.460 0.192 0.000 1.129 248 W HN -0.269 nan 8.180 nan 0.000 0.590 249 T N 0.081 114.792 114.554 0.262 0.000 2.849 249 T HA 0.186 4.536 4.350 -0.000 0.000 0.284 249 T C 1.225 176.050 174.700 0.208 0.000 1.004 249 T CA -0.697 61.512 62.100 0.182 0.000 1.021 249 T CB 0.857 69.790 68.868 0.108 0.000 1.013 249 T HN 0.257 nan 8.240 nan 0.000 0.527 250 I N 0.830 121.498 120.570 0.163 0.000 2.264 250 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 250 I C 2.413 178.617 176.117 0.144 0.000 1.111 250 I CA 1.500 62.891 61.300 0.150 0.000 1.382 250 I CB -1.485 36.591 38.000 0.127 0.000 1.060 250 I HN 0.738 nan 8.210 nan 0.000 0.418 251 E N 0.644 120.917 120.200 0.121 0.000 2.077 251 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 251 E C 2.246 178.908 176.600 0.104 0.000 0.989 251 E CA 1.099 57.549 56.400 0.083 0.000 0.800 251 E CB -0.260 29.482 29.700 0.071 0.000 0.746 251 E HN 0.530 nan 8.360 nan 0.000 0.452 252 Q N -0.112 119.778 119.800 0.150 0.000 2.119 252 Q HA -0.077 4.262 4.340 -0.000 0.000 0.201 252 Q C 2.234 178.479 176.000 0.409 0.000 0.972 252 Q CA 1.019 56.949 55.803 0.211 0.000 0.847 252 Q CB -0.104 28.703 28.738 0.115 0.000 0.903 252 Q HN 0.331 nan 8.270 nan 0.000 0.433 253 I N 0.245 121.045 120.570 0.384 0.000 2.286 253 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 253 I C 2.088 178.301 176.117 0.159 0.000 1.115 253 I CA 1.110 62.531 61.300 0.202 0.000 1.392 253 I CB -0.270 37.782 38.000 0.087 0.000 1.065 253 I HN 0.208 nan 8.210 nan 0.000 0.418 254 T N -0.019 114.656 114.554 0.201 0.000 2.777 254 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 254 T C 2.012 176.870 174.700 0.263 0.000 1.040 254 T CA 1.224 63.487 62.100 0.272 0.000 1.141 254 T CB -0.201 68.778 68.868 0.185 0.000 0.868 254 T HN 0.136 nan 8.240 nan 0.000 0.444 255 R N 1.406 121.990 120.500 0.141 0.000 2.073 255 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 255 R C 2.286 178.687 176.300 0.169 0.000 1.134 255 R CA 1.714 57.882 56.100 0.113 0.000 0.952 255 R CB -0.573 29.768 30.300 0.068 0.000 0.850 255 R HN 0.332 nan 8.270 nan 0.000 0.433 256 E N -0.852 119.477 120.200 0.215 0.000 2.051 256 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 256 E C 1.685 178.369 176.600 0.141 0.000 0.991 256 E CA 2.182 58.707 56.400 0.208 0.000 0.799 256 E CB -0.487 29.399 29.700 0.310 0.000 0.748 256 E HN 0.322 nan 8.360 nan 0.000 0.449 257 T N -0.332 114.307 114.554 0.142 0.000 2.665 257 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 257 T C 1.172 175.849 174.700 -0.038 0.000 1.035 257 T CA 1.722 63.877 62.100 0.092 0.000 1.151 257 T CB -0.547 68.359 68.868 0.064 0.000 0.862 257 T HN 0.301 nan 8.240 nan 0.000 0.438 258 Y N 1.173 121.485 120.300 0.019 0.000 2.578 258 Y HA 0.117 4.667 4.550 -0.000 0.000 0.297 258 Y C 2.160 178.009 175.900 -0.084 0.000 1.176 258 Y CA 0.300 58.397 58.100 -0.006 0.000 1.315 258 Y CB -0.189 38.238 38.460 -0.054 0.000 1.031 258 Y HN 0.164 nan 8.280 nan 0.000 0.524 259 K N -0.686 119.530 120.400 -0.307 0.000 2.296 259 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 259 K C -0.208 175.725 176.600 -1.111 0.000 1.048 259 K CA 0.786 56.685 56.287 -0.647 0.000 0.966 259 K CB -0.012 31.949 32.500 -0.899 0.000 0.754 259 K HN 0.331 nan 8.250 nan 0.000 0.466 260 Y N 0.392 120.412 120.300 -0.467 0.000 2.801 260 Y HA 0.387 4.937 4.550 -0.000 0.000 0.340 260 Y C 0.145 175.577 175.900 -0.781 0.000 1.088 260 Y CA -0.742 56.842 58.100 -0.859 0.000 1.444 260 Y CB 0.214 38.468 38.460 -0.343 0.000 1.251 260 Y HN -0.075 nan 8.280 nan 0.000 0.522 261 A N -0.825 121.606 122.820 -0.648 0.000 2.610 261 A HA 0.532 4.852 4.320 -0.000 0.000 0.291 261 A C -0.209 177.256 177.584 -0.199 0.000 1.086 261 A CA -0.694 51.235 52.037 -0.181 0.000 0.677 261 A CB 1.050 20.023 19.000 -0.045 0.000 1.278 261 A HN 0.157 nan 8.150 nan 0.000 0.414 262 D N 0.125 120.411 120.400 -0.191 0.000 2.392 262 D HA 0.185 4.824 4.640 -0.000 0.000 0.206 262 D C 0.517 176.403 176.300 -0.690 0.000 1.046 262 D CA 1.438 55.079 54.000 -0.599 0.000 0.865 262 D CB 0.338 40.480 40.800 -1.097 0.000 0.969 262 D HN 0.694 nan 8.370 nan 0.000 0.509 263 M N -0.439 118.987 119.600 -0.290 0.000 2.949 263 M HA 0.497 4.977 4.480 -0.000 0.000 0.270 263 M C -2.139 174.236 176.300 0.124 0.000 1.221 263 M CA -1.184 54.073 55.300 -0.071 0.000 0.818 263 M CB 2.485 34.989 32.600 -0.160 0.000 1.635 263 M HN -0.204 nan 8.290 nan 0.000 0.492 264 L N -0.420 120.860 121.223 0.094 0.000 2.409 264 L HA 1.109 5.449 4.340 -0.000 0.000 0.262 264 L C -1.529 175.263 176.870 -0.129 0.000 0.992 264 L CA -0.621 54.194 54.840 -0.042 0.000 0.817 264 L CB 2.069 44.029 42.059 -0.165 0.000 1.350 264 L HN 0.980 nan 8.230 nan 0.000 0.411 265 A N 4.280 127.030 122.820 -0.118 0.000 2.381 265 A HA 0.962 5.282 4.320 -0.000 0.000 0.299 265 A C -0.698 176.863 177.584 -0.039 0.000 1.049 265 A CA -0.302 51.699 52.037 -0.060 0.000 0.715 265 A CB 1.435 20.449 19.000 0.024 0.000 1.222 265 A HN 1.219 nan 8.150 nan 0.000 0.428 266 M N 0.759 120.326 119.600 -0.055 0.000 2.471 266 M HA 0.619 5.099 4.480 -0.000 0.000 0.284 266 M C -0.651 175.628 176.300 -0.035 0.000 1.203 266 M CA -0.455 54.816 55.300 -0.048 0.000 0.915 266 M CB 1.818 34.375 32.600 -0.071 0.000 1.734 266 M HN 0.581 nan 8.290 nan 0.000 0.485 267 S N 1.020 116.701 115.700 -0.032 0.000 2.513 267 S HA 0.690 5.160 4.470 -0.000 0.000 0.276 267 S C 0.751 175.362 174.600 0.018 0.000 1.254 267 S CA 0.128 58.319 58.200 -0.015 0.000 1.053 267 S CB 1.296 64.476 63.200 -0.034 0.000 0.958 267 S HN 0.903 nan 8.310 nan 0.000 0.491 268 A N 4.633 127.471 122.820 0.031 0.000 2.251 268 A HA 0.247 4.567 4.320 -0.000 0.000 0.209 268 A C 1.440 179.065 177.584 0.068 0.000 1.187 268 A CA 0.080 52.155 52.037 0.062 0.000 0.823 268 A CB -0.195 18.834 19.000 0.049 0.000 0.846 268 A HN 0.886 nan 8.150 nan 0.000 0.486 269 K N -0.113 120.317 120.400 0.051 0.000 2.522 269 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 269 K C 0.729 177.365 176.600 0.060 0.000 1.026 269 K CA 0.257 56.574 56.287 0.050 0.000 1.119 269 K CB 0.218 32.744 32.500 0.042 0.000 0.856 269 K HN 0.211 nan 8.250 nan 0.000 0.513 270 K N 0.379 120.825 120.400 0.077 0.000 4.643 270 K HA 0.090 4.410 4.320 -0.000 0.000 0.226 270 K C 1.062 177.738 176.600 0.127 0.000 1.147 270 K CA -0.022 56.318 56.287 0.089 0.000 1.941 270 K CB -0.612 31.926 32.500 0.063 0.000 2.803 270 K HN -0.201 nan 8.250 nan 0.000 0.590 271 D N 1.820 122.306 120.400 0.144 0.000 2.182 271 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 271 D C 1.389 177.797 176.300 0.180 0.000 0.986 271 D CA 1.224 55.310 54.000 0.144 0.000 0.847 271 D CB -0.134 40.665 40.800 -0.002 0.000 0.942 271 D HN 0.426 nan 8.370 nan 0.000 0.467 272 A N 0.155 123.115 122.820 0.233 0.000 2.239 272 A HA -0.018 4.302 4.320 -0.000 0.000 0.209 272 A C 1.017 178.656 177.584 0.092 0.000 1.171 272 A CA 0.529 52.694 52.037 0.212 0.000 0.768 272 A CB -0.310 18.811 19.000 0.203 0.000 0.790 272 A HN 0.162 nan 8.150 nan 0.000 0.478 273 M N -2.416 117.221 119.600 0.061 0.000 2.856 273 M HA -0.167 4.313 4.480 -0.000 0.000 0.189 273 M C 0.280 176.566 176.300 -0.024 0.000 0.612 273 M CA 1.043 56.333 55.300 -0.017 0.000 0.673 273 M CB -3.047 29.485 32.600 -0.114 0.000 2.440 273 M HN 0.726 nan 8.290 nan 0.000 0.437 274 V N -1.619 118.301 119.914 0.010 0.000 2.732 274 V HA 0.666 4.786 4.120 -0.000 0.000 0.310 274 V C -1.423 174.678 176.094 0.011 0.000 1.053 274 V CA -1.242 61.060 62.300 0.003 0.000 0.957 274 V CB 1.508 33.340 31.823 0.016 0.000 1.018 274 V HN 0.019 nan 8.190 nan 0.000 0.452 275 P HA 0.170 nan 4.420 nan 0.000 0.245 275 P C -0.015 177.298 177.300 0.023 0.000 1.206 275 P CA 0.636 63.743 63.100 0.012 0.000 0.781 275 P CB 0.440 32.141 31.700 0.002 0.000 0.994 276 M N -0.916 118.700 119.600 0.027 0.000 2.426 276 M HA 0.513 4.993 4.480 -0.000 0.000 0.289 276 M C -1.557 174.770 176.300 0.045 0.000 1.168 276 M CA 0.008 55.331 55.300 0.038 0.000 0.933 276 M CB 2.357 34.980 32.600 0.038 0.000 1.750 276 M HN 0.118 nan 8.290 nan 0.000 0.494 277 G N 1.472 110.303 108.800 0.053 0.000 2.362 277 G HA2 0.428 4.388 3.960 -0.000 0.000 0.656 277 G HA3 0.428 4.388 3.960 -0.000 0.000 0.656 277 G C -1.329 173.592 174.900 0.034 0.000 1.376 277 G CA -0.316 44.816 45.100 0.054 0.000 0.971 277 G HN 1.211 nan 8.290 nan 0.000 0.636 278 G N -1.277 107.537 108.800 0.023 0.000 2.645 278 G HA2 0.858 4.818 3.960 -0.000 0.000 0.292 278 G HA3 0.858 4.818 3.960 -0.000 0.000 0.292 278 G C -1.528 173.367 174.900 -0.009 0.000 1.415 278 G CA -0.646 44.453 45.100 -0.001 0.000 0.785 278 G HN 1.239 nan 8.290 nan 0.000 0.483 279 L N -0.547 120.656 121.223 -0.034 0.000 2.466 279 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 279 L C -1.600 175.245 176.870 -0.042 0.000 0.973 279 L CA -0.901 53.914 54.840 -0.041 0.000 0.826 279 L CB 2.634 44.630 42.059 -0.105 0.000 1.372 279 L HN 0.484 nan 8.230 nan 0.000 0.409 280 L N 2.504 123.726 121.223 -0.001 0.000 2.457 280 L HA 0.657 4.997 4.340 -0.000 0.000 0.266 280 L C -1.202 175.706 176.870 0.064 0.000 0.979 280 L CA -0.030 54.824 54.840 0.023 0.000 0.857 280 L CB 1.171 43.268 42.059 0.063 0.000 1.213 280 L HN 0.666 nan 8.230 nan 0.000 0.418 281 C N 4.456 123.780 119.300 0.040 0.000 2.707 281 C HA 0.842 5.302 4.460 -0.000 0.000 0.313 281 C C -0.236 174.860 174.990 0.177 0.000 1.209 281 C CA -0.771 58.319 59.018 0.120 0.000 1.635 281 C CB 1.728 29.506 27.740 0.064 0.000 2.206 281 C HN 0.764 nan 8.230 nan 0.000 0.485 282 M N 1.744 121.441 119.600 0.162 0.000 2.311 282 M HA 0.395 4.875 4.480 -0.000 0.000 0.325 282 M C 1.005 177.189 176.300 -0.193 0.000 1.061 282 M CA -0.236 55.079 55.300 0.025 0.000 0.957 282 M CB 1.259 33.973 32.600 0.190 0.000 1.646 282 M HN 0.729 nan 8.290 nan 0.000 0.434 283 K N 1.208 121.142 120.400 -0.776 0.000 1.978 283 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 283 K C -0.182 176.239 176.600 -0.298 0.000 1.049 283 K CA 2.304 57.997 56.287 -0.990 0.000 0.939 283 K CB 0.271 32.114 32.500 -1.096 0.000 0.721 283 K HN 0.962 nan 8.250 nan 0.000 0.441 284 D N -2.529 117.828 120.400 -0.071 0.000 2.798 284 D HA 0.109 4.749 4.640 -0.000 0.000 0.308 284 D C 0.185 176.703 176.300 0.363 0.000 1.187 284 D CA -0.631 53.434 54.000 0.109 0.000 1.033 284 D CB 0.028 40.847 40.800 0.031 0.000 1.445 284 D HN -0.162 nan 8.370 nan 0.000 0.550 285 D N -0.505 120.095 120.400 0.333 0.000 2.265 285 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 285 D C 1.856 178.318 176.300 0.270 0.000 0.977 285 D CA 1.746 55.942 54.000 0.327 0.000 0.871 285 D CB -0.305 40.589 40.800 0.157 0.000 0.925 285 D HN 0.445 nan 8.370 nan 0.000 0.485 286 S N -0.381 115.471 115.700 0.253 0.000 2.440 286 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 286 S C 1.440 176.212 174.600 0.287 0.000 1.010 286 S CA 0.615 58.967 58.200 0.253 0.000 0.972 286 S CB -0.524 62.852 63.200 0.294 0.000 0.774 286 S HN 0.247 nan 8.310 nan 0.000 0.501 287 F N 0.141 120.152 119.950 0.103 0.000 2.708 287 F HA 0.435 4.962 4.527 -0.000 0.000 0.300 287 F C 1.097 176.925 175.800 0.047 0.000 1.118 287 F CA -1.036 57.007 58.000 0.071 0.000 1.307 287 F CB 0.168 39.193 39.000 0.041 0.000 0.986 287 F HN 0.172 nan 8.300 nan 0.000 0.522 288 F N 1.060 121.017 119.950 0.012 0.000 2.171 288 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 288 F C 1.989 177.750 175.800 -0.065 0.000 1.090 288 F CA 1.807 59.709 58.000 -0.163 0.000 1.293 288 F CB 0.019 38.932 39.000 -0.146 0.000 1.013 288 F HN -0.045 nan 8.300 nan 0.000 0.486 289 D N -0.107 120.281 120.400 -0.020 0.000 2.178 289 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 289 D C 2.490 178.688 176.300 -0.171 0.000 0.974 289 D CA 1.314 55.246 54.000 -0.113 0.000 0.841 289 D CB -0.319 40.460 40.800 -0.035 0.000 0.953 289 D HN 0.262 nan 8.370 nan 0.000 0.478 290 V N 0.899 120.738 119.914 -0.126 0.000 2.453 290 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 290 V C 2.211 178.283 176.094 -0.036 0.000 1.048 290 V CA 1.140 63.405 62.300 -0.058 0.000 1.049 290 V CB -0.637 31.210 31.823 0.040 0.000 0.672 290 V HN 0.157 nan 8.190 nan 0.000 0.457 291 Y N 1.672 121.843 120.300 -0.215 0.000 2.133 291 Y HA -0.239 4.311 4.550 -0.000 0.000 0.287 291 Y C 2.627 178.328 175.900 -0.332 0.000 1.134 291 Y CA 2.275 60.213 58.100 -0.270 0.000 1.133 291 Y CB -0.889 37.290 38.460 -0.469 0.000 0.987 291 Y HN 0.189 nan 8.280 nan 0.000 0.502 292 T N 0.868 114.984 114.554 -0.729 0.000 2.684 292 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 292 T C 1.631 176.083 174.700 -0.415 0.000 1.036 292 T CA 1.991 63.668 62.100 -0.705 0.000 1.148 292 T CB -0.267 68.252 68.868 -0.582 0.000 0.863 292 T HN 0.505 nan 8.240 nan 0.000 0.436 293 E N 0.007 120.041 120.200 -0.278 0.000 2.077 293 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 293 E C 2.527 179.031 176.600 -0.160 0.000 0.989 293 E CA 1.115 57.411 56.400 -0.173 0.000 0.800 293 E CB -0.275 29.357 29.700 -0.113 0.000 0.746 293 E HN 0.465 nan 8.360 nan 0.000 0.452 294 C N 0.450 119.655 119.300 -0.159 0.000 2.446 294 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 294 C C 2.664 177.556 174.990 -0.163 0.000 1.275 294 C CA 0.409 59.360 59.018 -0.112 0.000 1.727 294 C CB -0.798 26.920 27.740 -0.035 0.000 2.010 294 C HN 0.380 nan 8.230 nan 0.000 0.486 295 R N 0.307 120.638 120.500 -0.281 0.000 2.096 295 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 295 R C 2.136 178.315 176.300 -0.202 0.000 1.127 295 R CA 1.889 57.819 56.100 -0.284 0.000 0.968 295 R CB -0.398 29.604 30.300 -0.498 0.000 0.861 295 R HN 0.523 nan 8.270 nan 0.000 0.440 296 T N 1.362 115.795 114.554 -0.202 0.000 2.737 296 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 296 T C 0.840 175.470 174.700 -0.117 0.000 1.038 296 T CA 0.657 62.674 62.100 -0.138 0.000 1.144 296 T CB -0.205 68.587 68.868 -0.126 0.000 0.866 296 T HN 0.019 nan 8.240 nan 0.000 0.434 300 V N -0.884 118.919 119.914 -0.184 0.000 3.170 300 V HA 0.282 4.402 4.120 -0.000 0.000 0.354 300 V C 1.558 177.511 176.094 -0.236 0.000 1.350 300 V CA 0.676 62.847 62.300 -0.214 0.000 1.244 300 V CB 0.471 32.220 31.823 -0.122 0.000 1.222 300 V HN 0.465 nan 8.190 nan 0.000 0.478 301 Q N 1.451 121.110 119.800 -0.234 0.000 2.181 301 Q HA -0.195 4.145 4.340 -0.000 0.000 0.205 301 Q C 1.758 177.610 176.000 -0.246 0.000 0.980 301 Q CA 1.960 57.643 55.803 -0.200 0.000 0.862 301 Q CB 0.124 28.759 28.738 -0.171 0.000 0.905 301 Q HN 0.763 nan 8.270 nan 0.000 0.429 302 E N -1.244 118.704 120.200 -0.420 0.000 2.482 302 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 302 E C 1.050 177.372 176.600 -0.462 0.000 1.047 302 E CA 0.795 56.880 56.400 -0.525 0.000 0.869 302 E CB 0.254 29.392 29.700 -0.936 0.000 0.836 302 E HN 0.546 nan 8.360 nan 0.000 0.520 303 G N 0.882 109.474 108.800 -0.347 0.000 2.163 303 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.213 303 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.213 303 G C 0.053 175.001 174.900 0.080 0.000 0.991 303 G CA 0.063 45.124 45.100 -0.064 0.000 0.653 303 G HN 0.250 nan 8.290 nan 0.000 0.518 304 F N -2.976 116.942 119.950 -0.052 0.000 2.770 304 F HA 0.702 5.229 4.527 -0.000 0.000 0.313 304 F C -3.081 172.657 175.800 -0.104 0.000 1.154 304 F CA -2.670 55.295 58.000 -0.058 0.000 0.923 304 F CB 0.128 39.102 39.000 -0.043 0.000 1.301 304 F HN -0.036 nan 8.300 nan 0.000 0.449 305 P HA 0.239 nan 4.420 nan 0.000 0.264 305 P C -0.707 176.408 177.300 -0.310 0.000 1.193 305 P CA 0.337 63.317 63.100 -0.199 0.000 0.763 305 P CB 0.687 32.340 31.700 -0.078 0.000 0.810 306 T N 0.885 115.085 114.554 -0.591 0.000 2.971 306 T HA 0.560 4.909 4.350 -0.000 0.000 0.304 306 T C -1.216 173.164 174.700 -0.532 0.000 1.038 306 T CA -0.771 61.074 62.100 -0.425 0.000 1.007 306 T CB 0.491 69.204 68.868 -0.259 0.000 1.055 306 T HN 0.095 nan 8.240 nan 0.000 0.451 307 Y N 1.341 121.702 120.300 0.102 0.000 2.377 307 Y HA 0.807 5.357 4.550 -0.000 0.000 0.339 307 Y C 0.901 176.855 175.900 0.090 0.000 1.011 307 Y CA -0.471 57.709 58.100 0.134 0.000 1.093 307 Y CB 2.494 41.092 38.460 0.231 0.000 1.201 307 Y HN 1.271 nan 8.280 nan 0.000 0.455 308 G N -0.180 108.745 108.800 0.208 0.000 2.550 308 G HA2 0.632 4.592 3.960 -0.000 0.000 0.293 308 G HA3 0.632 4.592 3.960 -0.000 0.000 0.293 308 G C -0.976 173.927 174.900 0.006 0.000 1.402 308 G CA -0.308 44.812 45.100 0.034 0.000 0.784 308 G HN 1.039 nan 8.290 nan 0.000 0.482 309 G N -1.453 107.190 108.800 -0.261 0.000 2.347 309 G HA2 0.508 4.468 3.960 -0.000 0.000 0.303 309 G HA3 0.508 4.468 3.960 -0.000 0.000 0.303 309 G C -0.886 173.960 174.900 -0.089 0.000 1.481 309 G CA -0.896 44.191 45.100 -0.022 0.000 0.914 309 G HN 0.861 nan 8.290 nan 0.000 0.638 310 L N 1.068 122.316 121.223 0.042 0.000 2.485 310 L HA 0.265 4.605 4.340 -0.000 0.000 0.275 310 L C 1.450 178.321 176.870 0.001 0.000 1.207 310 L CA -0.359 54.496 54.840 0.027 0.000 0.855 310 L CB 0.517 42.619 42.059 0.071 0.000 1.114 310 L HN 0.816 nan 8.230 nan 0.000 0.485 311 E N 1.613 121.810 120.200 -0.005 0.000 2.392 311 E HA 0.098 4.448 4.350 -0.000 0.000 0.259 311 E C 1.057 177.661 176.600 0.007 0.000 1.108 311 E CA -0.114 56.284 56.400 -0.005 0.000 0.916 311 E CB 0.679 30.375 29.700 -0.007 0.000 0.989 311 E HN 0.724 nan 8.360 nan 0.000 0.432 312 G N 2.257 111.060 108.800 0.004 0.000 2.469 312 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 312 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 312 G C 1.331 176.238 174.900 0.011 0.000 1.150 312 G CA 0.755 45.859 45.100 0.008 0.000 0.763 312 G HN 0.681 nan 8.290 nan 0.000 0.561 313 G N 0.925 109.729 108.800 0.006 0.000 2.432 313 G HA2 0.053 4.012 3.960 -0.000 0.000 0.219 313 G HA3 0.053 4.012 3.960 -0.000 0.000 0.219 313 G C 2.006 176.912 174.900 0.010 0.000 1.135 313 G CA 1.467 46.570 45.100 0.005 0.000 0.767 313 G HN 0.687 nan 8.290 nan 0.000 0.550 314 A N 0.461 123.289 122.820 0.014 0.000 1.930 314 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 314 A C 2.432 180.035 177.584 0.032 0.000 1.175 314 A CA 1.564 53.614 52.037 0.020 0.000 0.627 314 A CB -0.281 18.733 19.000 0.024 0.000 0.815 314 A HN 0.390 nan 8.150 nan 0.000 0.443 315 M N -0.884 118.740 119.600 0.040 0.000 2.200 315 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 315 M C 1.915 178.241 176.300 0.043 0.000 1.066 315 M CA 1.019 56.352 55.300 0.055 0.000 1.127 315 M CB -0.324 32.324 32.600 0.080 0.000 1.379 315 M HN 0.341 nan 8.290 nan 0.000 0.420 316 E N 0.304 120.522 120.200 0.031 0.000 2.072 316 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 316 E C 1.949 178.564 176.600 0.025 0.000 0.985 316 E CA 1.073 57.489 56.400 0.026 0.000 0.801 316 E CB -0.384 29.325 29.700 0.015 0.000 0.750 316 E HN 0.487 nan 8.360 nan 0.000 0.452 317 R N 0.665 121.176 120.500 0.018 0.000 2.075 317 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 317 R C 2.406 178.719 176.300 0.023 0.000 1.126 317 R CA 0.916 57.023 56.100 0.012 0.000 0.963 317 R CB -0.238 30.063 30.300 0.002 0.000 0.858 317 R HN 0.098 nan 8.270 nan 0.000 0.435 318 L N 0.782 122.023 121.223 0.031 0.000 2.093 318 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 318 L C 2.200 179.097 176.870 0.045 0.000 1.085 318 L CA 1.965 56.827 54.840 0.038 0.000 0.755 318 L CB -0.670 41.413 42.059 0.039 0.000 0.904 318 L HN 0.248 nan 8.230 nan 0.000 0.435 319 A N -1.277 121.573 122.820 0.050 0.000 1.978 319 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 319 A C 2.205 179.873 177.584 0.141 0.000 1.170 319 A CA 2.055 54.134 52.037 0.071 0.000 0.636 319 A CB -0.836 18.203 19.000 0.066 0.000 0.810 319 A HN 0.326 nan 8.150 nan 0.000 0.448 320 V N -0.796 119.185 119.914 0.112 0.000 2.500 320 V HA -0.018 4.102 4.120 -0.000 0.000 0.243 320 V C 2.788 178.960 176.094 0.131 0.000 1.039 320 V CA 1.420 63.802 62.300 0.138 0.000 1.053 320 V CB -1.223 30.630 31.823 0.050 0.000 0.695 320 V HN 0.562 nan 8.190 nan 0.000 0.463 321 G N 0.234 109.075 108.800 0.068 0.000 2.450 321 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.220 321 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.220 321 G C 1.579 176.533 174.900 0.090 0.000 1.130 321 G CA 0.907 46.036 45.100 0.049 0.000 0.760 321 G HN 0.460 nan 8.290 nan 0.000 0.557 322 L N -1.252 120.015 121.223 0.072 0.000 2.131 322 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 322 L C 2.616 179.484 176.870 -0.003 0.000 1.092 322 L CA 0.973 55.841 54.840 0.048 0.000 0.759 322 L CB -0.355 41.612 42.059 -0.152 0.000 0.903 322 L HN 0.251 nan 8.230 nan 0.000 0.435 323 Y N -0.423 119.903 120.300 0.044 0.000 2.231 323 Y HA -0.165 4.385 4.550 -0.000 0.000 0.294 323 Y C 2.480 178.396 175.900 0.027 0.000 1.120 323 Y CA 0.847 58.959 58.100 0.020 0.000 1.141 323 Y CB -0.087 38.364 38.460 -0.014 0.000 1.022 323 Y HN 0.116 nan 8.280 nan 0.000 0.523 324 D N -0.561 119.936 120.400 0.162 0.000 2.178 324 D HA -0.128 4.511 4.640 -0.000 0.000 0.201 324 D C 2.269 178.585 176.300 0.027 0.000 0.980 324 D CA 1.338 55.365 54.000 0.044 0.000 0.842 324 D CB -0.621 40.145 40.800 -0.056 0.000 0.948 324 D HN 0.442 nan 8.370 nan 0.000 0.472 325 G N 0.004 108.844 108.800 0.068 0.000 2.509 325 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 325 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 325 G C 1.407 176.403 174.900 0.161 0.000 1.124 325 G CA 0.082 45.254 45.100 0.121 0.000 0.776 325 G HN 0.236 nan 8.290 nan 0.000 0.547 326 M N 0.161 119.836 119.600 0.125 0.000 2.495 326 M HA 0.139 4.619 4.480 -0.000 0.000 0.237 326 M C 0.621 177.011 176.300 0.150 0.000 1.131 326 M CA -0.350 55.006 55.300 0.092 0.000 1.032 326 M CB 0.044 32.699 32.600 0.092 0.000 1.513 326 M HN 0.114 nan 8.290 nan 0.000 0.488 327 N N 1.649 120.476 118.700 0.212 0.000 2.411 327 N HA -0.071 4.669 4.740 -0.000 0.000 0.265 327 N C 0.822 176.447 175.510 0.192 0.000 1.266 327 N CA -0.143 53.030 53.050 0.204 0.000 0.889 327 N CB 0.744 39.367 38.487 0.228 0.000 1.069 327 N HN 0.139 nan 8.380 nan 0.000 0.476 328 L N 3.968 125.276 121.223 0.142 0.000 2.012 328 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 328 L C 1.274 178.193 176.870 0.080 0.000 1.073 328 L CA 1.899 56.814 54.840 0.125 0.000 0.748 328 L CB -0.537 41.605 42.059 0.138 0.000 0.891 328 L HN 0.695 nan 8.230 nan 0.000 0.431 329 D N -0.988 119.478 120.400 0.110 0.000 2.117 329 D HA -0.283 4.357 4.640 -0.000 0.000 0.197 329 D C 1.916 178.289 176.300 0.121 0.000 0.987 329 D CA 1.639 55.698 54.000 0.098 0.000 0.829 329 D CB -0.645 40.219 40.800 0.107 0.000 0.961 329 D HN 0.683 nan 8.370 nan 0.000 0.460 330 W N 1.942 123.259 121.300 0.027 0.000 2.333 330 W HA -0.189 4.471 4.660 -0.000 0.000 0.316 330 W C 1.807 178.319 176.519 -0.011 0.000 1.215 330 W CA 0.700 58.083 57.345 0.064 0.000 1.278 330 W CB -0.485 29.003 29.460 0.047 0.000 1.154 330 W HN -0.048 nan 8.180 nan 0.000 0.486 331 L N 1.471 122.319 121.223 -0.625 0.000 2.042 331 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 331 L C 3.021 179.199 176.870 -1.154 0.000 1.076 331 L CA 1.763 56.017 54.840 -0.977 0.000 0.749 331 L CB -1.361 40.315 42.059 -0.639 0.000 0.893 331 L HN 0.035 nan 8.230 nan 0.000 0.432 332 A N -0.631 121.626 122.820 -0.940 0.000 1.908 332 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 332 A C 2.208 179.501 177.584 -0.484 0.000 1.181 332 A CA 1.835 53.405 52.037 -0.780 0.000 0.627 332 A CB -0.954 17.929 19.000 -0.196 0.000 0.818 332 A HN 0.508 nan 8.150 nan 0.000 0.445 333 Y N 0.196 120.229 120.300 -0.444 0.000 2.145 333 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 333 Y C 2.563 178.183 175.900 -0.466 0.000 1.145 333 Y CA 2.239 60.130 58.100 -0.349 0.000 1.148 333 Y CB -0.275 38.092 38.460 -0.155 0.000 0.981 333 Y HN 0.217 nan 8.280 nan 0.000 0.507 334 R N 1.188 121.237 120.500 -0.752 0.000 2.080 334 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 334 R C 2.241 178.182 176.300 -0.599 0.000 1.137 334 R CA 2.361 57.967 56.100 -0.824 0.000 0.943 334 R CB -1.054 28.491 30.300 -1.259 0.000 0.846 334 R HN 0.601 nan 8.270 nan 0.000 0.431 335 I N 0.744 120.957 120.570 -0.594 0.000 2.286 335 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 335 I C 2.518 178.467 176.117 -0.280 0.000 1.115 335 I CA 1.299 62.373 61.300 -0.377 0.000 1.392 335 I CB -0.384 37.336 38.000 -0.467 0.000 1.065 335 I HN 0.199 nan 8.210 nan 0.000 0.418 336 A N -0.021 122.580 122.820 -0.366 0.000 1.933 336 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 336 A C 2.310 179.684 177.584 -0.350 0.000 1.175 336 A CA 1.814 53.678 52.037 -0.289 0.000 0.628 336 A CB -0.644 18.171 19.000 -0.308 0.000 0.814 336 A HN 0.525 nan 8.150 nan 0.000 0.444 337 Q N -0.241 119.206 119.800 -0.587 0.000 2.079 337 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 337 Q C 1.923 177.846 176.000 -0.128 0.000 0.974 337 Q CA 1.880 57.361 55.803 -0.537 0.000 0.840 337 Q CB -0.204 28.150 28.738 -0.640 0.000 0.898 337 Q HN 0.396 nan 8.270 nan 0.000 0.430 338 V N 1.258 121.096 119.914 -0.127 0.000 2.295 338 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 338 V C 2.250 178.346 176.094 0.003 0.000 1.049 338 V CA 2.221 64.505 62.300 -0.028 0.000 1.024 338 V CB -0.649 31.163 31.823 -0.018 0.000 0.648 338 V HN 0.463 nan 8.190 nan 0.000 0.447 339 Q N -1.358 118.438 119.800 -0.005 0.000 2.167 339 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 339 Q C 2.152 178.174 176.000 0.036 0.000 0.970 339 Q CA 1.971 57.781 55.803 0.012 0.000 0.855 339 Q CB -0.334 28.414 28.738 0.017 0.000 0.911 339 Q HN 0.792 nan 8.270 nan 0.000 0.438 340 Y N 1.304 121.567 120.300 -0.063 0.000 2.181 340 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 340 Y C 2.029 177.932 175.900 0.005 0.000 1.146 340 Y CA 1.251 59.343 58.100 -0.014 0.000 1.164 340 Y CB -0.141 38.335 38.460 0.027 0.000 0.982 340 Y HN 0.125 nan 8.280 nan 0.000 0.515 341 L N -0.533 120.761 121.223 0.118 0.000 2.017 341 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 341 L C 2.244 179.057 176.870 -0.096 0.000 1.073 341 L CA 1.718 56.571 54.840 0.020 0.000 0.745 341 L CB -1.058 41.044 42.059 0.072 0.000 0.894 341 L HN 0.151 nan 8.230 nan 0.000 0.432 342 V N 0.083 119.951 119.914 -0.077 0.000 2.287 342 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 342 V C 2.303 178.324 176.094 -0.122 0.000 1.053 342 V CA 2.040 64.279 62.300 -0.101 0.000 1.027 342 V CB -0.909 30.873 31.823 -0.068 0.000 0.646 342 V HN 0.443 nan 8.190 nan 0.000 0.447 343 D N 0.690 121.015 120.400 -0.124 0.000 2.144 343 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 343 D C 2.197 178.390 176.300 -0.179 0.000 0.984 343 D CA 1.607 55.526 54.000 -0.135 0.000 0.834 343 D CB -0.674 40.050 40.800 -0.127 0.000 0.955 343 D HN 0.472 nan 8.370 nan 0.000 0.465 344 G N 0.512 109.155 108.800 -0.262 0.000 2.418 344 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.217 344 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.217 344 G C 1.745 176.545 174.900 -0.166 0.000 1.158 344 G CA 0.277 45.223 45.100 -0.257 0.000 0.771 344 G HN 0.254 nan 8.290 nan 0.000 0.545 345 L N 0.157 121.274 121.223 -0.176 0.000 2.056 345 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 345 L C 2.758 179.544 176.870 -0.139 0.000 1.078 345 L CA 1.508 56.233 54.840 -0.193 0.000 0.749 345 L CB -0.400 41.478 42.059 -0.302 0.000 0.901 345 L HN 0.373 nan 8.230 nan 0.000 0.433 346 E N 0.686 120.813 120.200 -0.122 0.000 2.077 346 E HA -0.309 4.040 4.350 -0.000 0.000 0.193 346 E C 2.066 178.625 176.600 -0.068 0.000 0.989 346 E CA 1.508 57.857 56.400 -0.086 0.000 0.800 346 E CB -0.016 29.638 29.700 -0.076 0.000 0.746 346 E HN 0.480 nan 8.360 nan 0.000 0.452 347 E N 0.673 120.826 120.200 -0.077 0.000 2.160 347 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 347 E C 2.065 178.639 176.600 -0.043 0.000 0.991 347 E CA 1.540 57.904 56.400 -0.060 0.000 0.810 347 E CB -0.312 29.345 29.700 -0.072 0.000 0.742 347 E HN 0.613 nan 8.360 nan 0.000 0.466 348 I N -3.955 116.588 120.570 -0.043 0.000 3.812 348 I HA 0.391 4.561 4.170 -0.000 0.000 0.320 348 I C 1.178 177.288 176.117 -0.010 0.000 1.276 348 I CA 0.519 61.808 61.300 -0.019 0.000 1.164 348 I CB 0.407 38.406 38.000 -0.002 0.000 1.009 348 I HN 0.183 nan 8.210 nan 0.000 0.431 349 G N 1.251 110.038 108.800 -0.022 0.000 2.175 349 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 349 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 349 G C 0.146 175.040 174.900 -0.010 0.000 0.982 349 G CA 0.029 45.122 45.100 -0.012 0.000 0.641 349 G HN 0.275 nan 8.290 nan 0.000 0.527 350 V N 1.159 121.054 119.914 -0.031 0.000 2.555 350 V HA 0.504 4.624 4.120 -0.000 0.000 0.286 350 V C 1.114 177.175 176.094 -0.056 0.000 1.044 350 V CA -0.186 62.087 62.300 -0.045 0.000 1.026 350 V CB 1.453 33.186 31.823 -0.150 0.000 0.981 350 V HN 0.264 nan 8.190 nan 0.000 0.480 354 Q N -0.350 119.511 119.800 0.102 0.000 2.426 354 Q HA 0.795 5.135 4.340 -0.000 0.000 0.278 354 Q C -1.828 174.269 176.000 0.162 0.000 1.007 354 Q CA 0.082 55.936 55.803 0.085 0.000 0.850 354 Q CB 2.433 31.193 28.738 0.037 0.000 1.427 354 Q HN 0.282 nan 8.270 nan 0.000 0.391 355 A N 0.147 123.000 122.820 0.054 0.000 2.491 355 A HA 0.902 5.222 4.320 -0.000 0.000 0.293 355 A C -0.623 176.935 177.584 -0.043 0.000 1.047 355 A CA 0.232 52.282 52.037 0.021 0.000 0.735 355 A CB 1.712 20.701 19.000 -0.018 0.000 1.281 355 A HN 0.745 nan 8.150 nan 0.000 0.398 356 G N 0.072 108.844 108.800 -0.046 0.000 2.846 356 G HA2 0.545 4.505 3.960 -0.000 0.000 0.299 356 G HA3 0.545 4.505 3.960 -0.000 0.000 0.299 356 G C 0.762 175.647 174.900 -0.025 0.000 1.242 356 G CA 0.378 45.418 45.100 -0.099 0.000 0.800 356 G HN 1.434 nan 8.290 nan 0.000 0.538 357 G N -1.072 107.723 108.800 -0.008 0.000 2.443 357 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.219 357 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.219 357 G C 1.321 176.407 174.900 0.311 0.000 1.131 357 G CA 1.561 46.775 45.100 0.191 0.000 0.775 357 G HN 0.491 nan 8.290 nan 0.000 0.547 358 H N 0.435 119.556 119.070 0.085 0.000 2.355 358 H HA 0.533 5.089 4.556 -0.000 0.000 0.303 358 H C 1.294 176.646 175.328 0.041 0.000 1.061 358 H CA 0.461 56.573 56.048 0.107 0.000 1.368 358 H CB -0.024 29.836 29.762 0.163 0.000 1.412 358 H HN 0.455 nan 8.280 nan 0.000 0.523 359 A N -0.622 122.260 122.820 0.103 0.000 2.586 359 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 359 A C -1.374 176.069 177.584 -0.235 0.000 1.086 359 A CA -0.213 51.745 52.037 -0.132 0.000 0.665 359 A CB 0.640 19.439 19.000 -0.335 0.000 1.279 359 A HN 0.354 nan 8.150 nan 0.000 0.423 360 A N -0.044 122.570 122.820 -0.343 0.000 2.331 360 A HA 0.774 5.094 4.320 -0.000 0.000 0.320 360 A C -1.430 175.915 177.584 -0.399 0.000 1.138 360 A CA -0.324 51.569 52.037 -0.240 0.000 0.790 360 A CB 0.212 19.121 19.000 -0.152 0.000 1.206 360 A HN 0.933 nan 8.150 nan 0.000 0.470 361 F N 2.872 122.821 119.950 -0.001 0.000 2.307 361 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 361 F C 0.335 176.141 175.800 0.010 0.000 1.076 361 F CA -0.487 57.525 58.000 0.020 0.000 1.149 361 F CB 1.330 40.345 39.000 0.025 0.000 1.410 361 F HN 0.290 nan 8.300 nan 0.000 0.481 362 V N 2.163 122.145 119.914 0.113 0.000 2.655 362 V HA -0.075 4.045 4.120 -0.000 0.000 0.300 362 V C 0.393 176.565 176.094 0.129 0.000 1.044 362 V CA -0.077 62.270 62.300 0.079 0.000 1.095 362 V CB 0.711 32.580 31.823 0.077 0.000 0.952 362 V HN 0.493 nan 8.190 nan 0.000 0.485 363 D N 3.727 124.185 120.400 0.097 0.000 2.422 363 D HA 0.336 4.975 4.640 -0.000 0.000 0.227 363 D C 0.828 177.188 176.300 0.100 0.000 1.190 363 D CA 0.189 54.245 54.000 0.094 0.000 0.905 363 D CB 1.551 42.390 40.800 0.065 0.000 1.034 363 D HN 0.629 nan 8.370 nan 0.000 0.507 364 A N 3.274 126.161 122.820 0.113 0.000 2.015 364 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 364 A C 2.034 179.663 177.584 0.074 0.000 1.163 364 A CA 1.453 53.553 52.037 0.106 0.000 0.646 364 A CB -0.369 18.694 19.000 0.105 0.000 0.806 364 A HN 0.588 nan 8.150 nan 0.000 0.448 365 G N 0.071 108.909 108.800 0.063 0.000 2.421 365 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 365 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 365 G C 1.666 176.594 174.900 0.046 0.000 1.171 365 G CA 1.096 46.221 45.100 0.042 0.000 0.775 365 G HN 0.576 nan 8.290 nan 0.000 0.543 366 K N -0.529 119.902 120.400 0.052 0.000 2.148 366 K HA 0.074 4.394 4.320 -0.000 0.000 0.204 366 K C 2.307 178.945 176.600 0.065 0.000 1.050 366 K CA 0.602 56.920 56.287 0.051 0.000 0.942 366 K CB -0.185 32.340 32.500 0.043 0.000 0.724 366 K HN 0.248 nan 8.250 nan 0.000 0.446 367 L N 0.598 121.869 121.223 0.080 0.000 2.156 367 L HA 0.003 4.342 4.340 -0.000 0.000 0.208 367 L C 0.557 177.494 176.870 0.112 0.000 1.095 367 L CA 1.577 56.475 54.840 0.098 0.000 0.770 367 L CB 0.209 42.346 42.059 0.129 0.000 0.914 367 L HN 0.034 nan 8.230 nan 0.000 0.439 368 L N 1.235 122.520 121.223 0.103 0.000 2.529 368 L HA 0.302 4.642 4.340 -0.000 0.000 0.246 368 L C -1.608 175.301 176.870 0.065 0.000 1.394 368 L CA -0.906 54.011 54.840 0.130 0.000 0.906 368 L CB 0.825 42.909 42.059 0.043 0.000 1.170 368 L HN -0.041 nan 8.230 nan 0.000 0.501 369 P HA -0.193 nan 4.420 nan 0.000 0.222 369 P C 1.129 178.477 177.300 0.079 0.000 1.147 369 P CA 1.330 64.482 63.100 0.086 0.000 0.790 369 P CB -0.061 31.692 31.700 0.088 0.000 0.780 370 H N -0.691 118.379 119.070 0.000 0.000 2.555 370 H HA 0.158 4.713 4.556 -0.000 0.000 0.269 370 H C 0.704 176.026 175.328 -0.011 0.000 0.988 370 H CA -0.104 55.941 56.048 -0.006 0.000 1.178 370 H CB -0.958 28.800 29.762 -0.006 0.000 1.373 370 H HN 0.163 nan 8.280 nan 0.000 0.588 371 I N 3.427 123.726 120.570 -0.452 0.000 2.315 371 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 371 I C -2.246 173.769 176.117 -0.170 0.000 1.006 371 I CA -2.111 58.982 61.300 -0.345 0.000 1.265 371 I CB 1.471 39.238 38.000 -0.388 0.000 1.387 371 I HN -0.114 nan 8.210 nan 0.000 0.475 372 P HA 0.051 nan 4.420 nan 0.000 0.269 372 P C 0.487 177.712 177.300 -0.126 0.000 1.209 372 P CA -0.049 62.986 63.100 -0.107 0.000 0.776 372 P CB 0.972 32.609 31.700 -0.105 0.000 0.876 373 A N 3.456 126.224 122.820 -0.087 0.000 1.917 373 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 373 A C 1.680 179.164 177.584 -0.167 0.000 1.182 373 A CA 2.231 54.231 52.037 -0.063 0.000 0.633 373 A CB -1.399 17.593 19.000 -0.013 0.000 0.819 373 A HN 0.676 nan 8.150 nan 0.000 0.448 374 D N -0.560 119.706 120.400 -0.224 0.000 2.351 374 D HA -0.174 4.466 4.640 -0.000 0.000 0.216 374 D C 1.480 177.275 176.300 -0.842 0.000 0.968 374 D CA 1.297 55.055 54.000 -0.403 0.000 0.899 374 D CB -0.608 40.065 40.800 -0.211 0.000 0.907 374 D HN 0.623 nan 8.370 nan 0.000 0.514 375 Q N -0.872 118.574 119.800 -0.591 0.000 2.280 375 Q HA 0.215 4.555 4.340 -0.000 0.000 0.201 375 Q C -0.433 175.317 176.000 -0.417 0.000 0.890 375 Q CA -0.442 55.036 55.803 -0.542 0.000 0.947 375 Q CB -0.217 28.365 28.738 -0.260 0.000 1.081 375 Q HN 0.268 nan 8.270 nan 0.000 0.502 376 F N 0.212 120.131 119.950 -0.051 0.000 2.688 376 F HA -0.211 4.316 4.527 -0.000 0.000 0.276 376 F C -1.568 174.182 175.800 -0.082 0.000 1.034 376 F CA -0.397 57.569 58.000 -0.058 0.000 0.991 376 F CB -0.804 38.114 39.000 -0.136 0.000 1.119 376 F HN 0.211 nan 8.300 nan 0.000 0.837 377 P HA -0.243 nan 4.420 nan 0.000 0.219 377 P C 1.375 178.701 177.300 0.044 0.000 1.146 377 P CA 2.088 65.192 63.100 0.006 0.000 0.808 377 P CB 0.129 31.815 31.700 -0.023 0.000 0.779 378 A N -0.303 122.572 122.820 0.090 0.000 2.016 378 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 378 A C 2.407 180.023 177.584 0.054 0.000 1.162 378 A CA 1.349 53.442 52.037 0.093 0.000 0.662 378 A CB -1.009 18.069 19.000 0.131 0.000 0.812 378 A HN 0.130 nan 8.150 nan 0.000 0.450 379 Q N -0.103 119.707 119.800 0.017 0.000 2.137 379 Q HA 0.138 4.478 4.340 -0.000 0.000 0.198 379 Q C 1.971 177.917 176.000 -0.090 0.000 0.960 379 Q CA 1.689 57.425 55.803 -0.113 0.000 0.847 379 Q CB -0.510 27.996 28.738 -0.387 0.000 0.915 379 Q HN 0.506 nan 8.270 nan 0.000 0.448 380 A N 0.232 123.025 122.820 -0.045 0.000 1.898 380 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 380 A C 1.954 179.527 177.584 -0.018 0.000 1.181 380 A CA 1.419 53.434 52.037 -0.036 0.000 0.620 380 A CB -0.800 18.181 19.000 -0.032 0.000 0.819 380 A HN 0.468 nan 8.150 nan 0.000 0.442 381 L N -0.184 121.037 121.223 -0.003 0.000 2.046 381 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 381 L C 2.602 179.455 176.870 -0.029 0.000 1.077 381 L CA 2.124 56.961 54.840 -0.005 0.000 0.747 381 L CB -0.829 41.252 42.059 0.037 0.000 0.896 381 L HN 0.331 nan 8.230 nan 0.000 0.432 382 A N -1.194 121.618 122.820 -0.013 0.000 1.908 382 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 382 A C 2.392 179.976 177.584 0.001 0.000 1.181 382 A CA 1.932 53.960 52.037 -0.015 0.000 0.627 382 A CB -1.498 17.485 19.000 -0.028 0.000 0.818 382 A HN 0.627 nan 8.150 nan 0.000 0.445 383 C N -1.245 118.051 119.300 -0.005 0.000 2.446 383 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 383 C C 2.710 177.738 174.990 0.063 0.000 1.275 383 C CA 1.342 60.383 59.018 0.039 0.000 1.727 383 C CB -0.952 26.790 27.740 0.003 0.000 2.010 383 C HN 0.768 nan 8.230 nan 0.000 0.486 384 E N 1.007 121.212 120.200 0.009 0.000 2.077 384 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 384 E C 1.989 178.556 176.600 -0.054 0.000 0.989 384 E CA 1.148 57.540 56.400 -0.012 0.000 0.800 384 E CB -0.440 29.249 29.700 -0.018 0.000 0.746 384 E HN 0.578 nan 8.360 nan 0.000 0.452 385 L N -0.357 120.813 121.223 -0.087 0.000 2.083 385 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 385 L C 2.266 179.115 176.870 -0.035 0.000 1.083 385 L CA 1.368 56.120 54.840 -0.147 0.000 0.752 385 L CB -0.490 41.443 42.059 -0.211 0.000 0.899 385 L HN 0.279 nan 8.230 nan 0.000 0.433 386 Y N 1.011 121.278 120.300 -0.054 0.000 2.184 386 Y HA -0.210 4.340 4.550 -0.000 0.000 0.290 386 Y C 2.515 178.420 175.900 0.008 0.000 1.129 386 Y CA 1.398 59.497 58.100 -0.002 0.000 1.144 386 Y CB -0.108 38.353 38.460 0.002 0.000 0.995 386 Y HN -0.030 nan 8.280 nan 0.000 0.513 387 K N -0.588 119.746 120.400 -0.111 0.000 2.032 387 K HA -0.171 4.148 4.320 -0.000 0.000 0.209 387 K C 1.990 178.462 176.600 -0.213 0.000 1.048 387 K CA 1.982 58.168 56.287 -0.168 0.000 0.927 387 K CB -0.543 31.933 32.500 -0.041 0.000 0.712 387 K HN 0.206 nan 8.250 nan 0.000 0.441 388 V N 0.287 120.087 119.914 -0.190 0.000 2.379 388 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 388 V C 1.775 177.736 176.094 -0.223 0.000 1.044 388 V CA 2.070 64.216 62.300 -0.256 0.000 1.036 388 V CB -0.100 31.529 31.823 -0.324 0.000 0.664 388 V HN 0.433 nan 8.190 nan 0.000 0.453 389 A N -1.776 120.961 122.820 -0.138 0.000 2.600 389 A HA 0.533 4.853 4.320 -0.000 0.000 0.252 389 A C 1.534 179.257 177.584 0.232 0.000 1.200 389 A CA 0.743 52.827 52.037 0.079 0.000 0.981 389 A CB 0.586 19.603 19.000 0.028 0.000 1.207 389 A HN 1.179 nan 8.150 nan 0.000 0.577 390 G N 0.145 108.915 108.800 -0.050 0.000 2.176 390 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 390 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 390 G C 0.018 175.098 174.900 0.300 0.000 1.024 390 G CA 0.478 45.572 45.100 -0.011 0.000 0.755 390 G HN 0.529 nan 8.290 nan 0.000 0.507 391 I N -0.089 120.623 120.570 0.237 0.000 2.396 391 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 391 I C 0.778 177.013 176.117 0.196 0.000 0.999 391 I CA -0.728 60.678 61.300 0.176 0.000 1.310 391 I CB 1.410 39.468 38.000 0.098 0.000 1.404 391 I HN 0.177 nan 8.210 nan 0.000 0.496 392 R N 5.461 126.030 120.500 0.116 0.000 2.393 392 R HA 0.801 5.141 4.340 -0.000 0.000 0.315 392 R C -1.294 175.005 176.300 -0.002 0.000 0.952 392 R CA -0.285 55.841 56.100 0.042 0.000 0.842 392 R CB 1.454 31.755 30.300 0.002 0.000 1.163 392 R HN 0.796 nan 8.270 nan 0.000 0.450 393 A N 3.326 126.129 122.820 -0.029 0.000 2.485 393 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 393 A C -1.323 176.214 177.584 -0.079 0.000 1.147 393 A CA -0.714 51.312 52.037 -0.018 0.000 0.750 393 A CB 1.992 21.018 19.000 0.044 0.000 1.331 393 A HN 0.450 nan 8.150 nan 0.000 0.419 394 V N 1.457 121.356 119.914 -0.026 0.000 2.435 394 V HA 0.340 4.460 4.120 -0.000 0.000 0.290 394 V C 0.270 176.428 176.094 0.108 0.000 1.030 394 V CA -0.637 61.660 62.300 -0.004 0.000 0.881 394 V CB 1.515 33.405 31.823 0.111 0.000 0.983 394 V HN 0.909 nan 8.190 nan 0.000 0.445 395 E N 4.570 124.861 120.200 0.151 0.000 2.338 395 E HA 0.199 4.548 4.350 -0.000 0.000 0.272 395 E C -1.168 175.553 176.600 0.201 0.000 1.029 395 E CA -0.323 56.190 56.400 0.189 0.000 0.872 395 E CB 1.044 30.878 29.700 0.225 0.000 1.015 395 E HN 0.442 nan 8.360 nan 0.000 0.417 396 I N 4.806 125.493 120.570 0.195 0.000 2.750 396 I HA 0.357 4.527 4.170 -0.000 0.000 0.279 396 I C 0.444 176.638 176.117 0.127 0.000 1.206 396 I CA -0.221 61.178 61.300 0.165 0.000 1.101 396 I CB 0.229 38.384 38.000 0.258 0.000 1.431 396 I HN 0.590 nan 8.210 nan 0.000 0.551 397 G N 1.878 110.748 108.800 0.116 0.000 2.793 397 G HA2 0.275 4.235 3.960 -0.000 0.000 0.248 397 G HA3 0.275 4.235 3.960 -0.000 0.000 0.248 397 G C 0.436 175.421 174.900 0.141 0.000 1.198 397 G CA 0.024 45.200 45.100 0.127 0.000 0.865 397 G HN 0.139 nan 8.290 nan 0.000 0.534 398 S N -0.339 115.503 115.700 0.237 0.000 2.383 398 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 398 S C 1.905 176.702 174.600 0.330 0.000 1.030 398 S CA 1.816 60.209 58.200 0.322 0.000 1.002 398 S CB -0.371 63.097 63.200 0.447 0.000 0.829 398 S HN 0.427 nan 8.310 nan 0.000 0.467 399 F N 2.426 122.360 119.950 -0.026 0.000 2.069 399 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 399 F C 1.941 177.612 175.800 -0.214 0.000 1.113 399 F CA 1.119 58.785 58.000 -0.556 0.000 1.214 399 F CB -0.814 37.767 39.000 -0.700 0.000 0.978 399 F HN 0.176 nan 8.300 nan 0.000 0.474 400 L N -0.009 121.087 121.223 -0.212 0.000 2.017 400 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 400 L C 2.238 178.904 176.870 -0.340 0.000 1.073 400 L CA 1.565 56.140 54.840 -0.442 0.000 0.745 400 L CB -1.311 40.564 42.059 -0.306 0.000 0.894 400 L HN 0.279 nan 8.230 nan 0.000 0.432 401 L N 0.389 121.526 121.223 -0.144 0.000 2.021 401 L HA 0.065 4.405 4.340 -0.000 0.000 0.215 401 L C 1.433 178.250 176.870 -0.088 0.000 1.074 401 L CA 1.680 56.469 54.840 -0.086 0.000 0.760 401 L CB -1.300 40.759 42.059 -0.000 0.000 0.889 401 L HN 0.677 nan 8.230 nan 0.000 0.433 402 G N -1.381 107.385 108.800 -0.058 0.000 2.681 402 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 402 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 402 G C -0.261 174.639 174.900 0.001 0.000 1.353 402 G CA -0.024 45.047 45.100 -0.050 0.000 0.872 402 G HN 0.539 nan 8.290 nan 0.000 0.557 403 R N -0.158 120.325 120.500 -0.028 0.000 2.674 403 R HA 0.492 4.832 4.340 -0.000 0.000 0.266 403 R C -0.388 175.895 176.300 -0.029 0.000 1.016 403 R CA -0.771 55.318 56.100 -0.019 0.000 1.062 403 R CB 0.941 31.216 30.300 -0.041 0.000 1.142 403 R HN 0.582 nan 8.270 nan 0.000 0.517 404 D N 1.726 122.113 120.400 -0.021 0.000 2.358 404 D HA 0.050 4.690 4.640 -0.000 0.000 0.258 404 D C -1.673 174.609 176.300 -0.031 0.000 1.223 404 D CA -1.738 52.248 54.000 -0.024 0.000 0.886 404 D CB 1.338 42.127 40.800 -0.017 0.000 1.120 404 D HN 0.147 nan 8.370 nan 0.000 0.482 405 P HA -0.086 nan 4.420 nan 0.000 0.226 405 P C 0.534 177.816 177.300 -0.030 0.000 1.146 405 P CA 1.116 64.195 63.100 -0.036 0.000 0.773 405 P CB 0.335 32.014 31.700 -0.035 0.000 0.772 406 K N -2.748 117.636 120.400 -0.026 0.000 2.391 406 K HA 0.186 4.506 4.320 -0.000 0.000 0.197 406 K C 1.023 177.611 176.600 -0.021 0.000 1.087 406 K CA 0.700 56.973 56.287 -0.023 0.000 1.012 406 K CB 0.432 32.920 32.500 -0.021 0.000 0.925 406 K HN 0.011 nan 8.250 nan 0.000 0.547 407 T N -0.939 113.603 114.554 -0.021 0.000 2.959 407 T HA 0.110 4.460 4.350 -0.000 0.000 0.254 407 T C 1.108 175.796 174.700 -0.020 0.000 1.003 407 T CA 0.534 62.623 62.100 -0.018 0.000 0.950 407 T CB 0.972 69.832 68.868 -0.014 0.000 1.090 407 T HN 0.357 nan 8.240 nan 0.000 0.503 408 G N 3.172 111.956 108.800 -0.026 0.000 2.168 408 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 408 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 408 G C 0.079 174.964 174.900 -0.026 0.000 0.977 408 G CA 0.812 45.891 45.100 -0.034 0.000 0.659 408 G HN 0.706 nan 8.290 nan 0.000 0.533 409 K N -0.146 120.246 120.400 -0.014 0.000 2.118 409 K HA 0.667 4.987 4.320 -0.000 0.000 0.267 409 K C 0.270 176.878 176.600 0.012 0.000 0.991 409 K CA -0.892 55.395 56.287 -0.001 0.000 0.916 409 K CB 1.208 33.708 32.500 0.000 0.000 1.041 409 K HN 0.094 nan 8.250 nan 0.000 0.455 410 Q N 2.475 122.297 119.800 0.035 0.000 2.315 410 Q HA 0.055 4.395 4.340 -0.000 0.000 0.289 410 Q C -0.981 175.048 176.000 0.048 0.000 1.044 410 Q CA 0.310 56.155 55.803 0.070 0.000 0.920 410 Q CB 0.448 29.249 28.738 0.105 0.000 1.214 410 Q HN 0.640 nan 8.270 nan 0.000 0.392 411 L N 6.802 128.054 121.223 0.049 0.000 2.395 411 L HA 0.446 4.785 4.340 -0.000 0.000 0.269 411 L C -1.772 175.122 176.870 0.039 0.000 1.133 411 L CA -2.118 52.739 54.840 0.028 0.000 0.812 411 L CB 0.787 42.853 42.059 0.012 0.000 1.125 411 L HN 0.739 nan 8.230 nan 0.000 0.452 412 P HA 0.044 nan 4.420 nan 0.000 0.276 412 P C -1.088 176.225 177.300 0.022 0.000 1.230 412 P CA -0.385 62.728 63.100 0.021 0.000 0.776 412 P CB 1.272 32.977 31.700 0.008 0.000 0.888 413 C N 5.619 124.938 119.300 0.032 0.000 2.408 413 C HA 0.467 4.927 4.460 -0.000 0.000 0.321 413 C C -0.961 174.040 174.990 0.018 0.000 1.245 413 C CA -1.640 57.396 59.018 0.030 0.000 1.523 413 C CB 0.464 28.241 27.740 0.061 0.000 2.178 413 C HN 0.500 nan 8.230 nan 0.000 0.488 414 P HA 0.129 nan 4.420 nan 0.000 0.216 414 P C -0.136 177.164 177.300 0.001 0.000 1.150 414 P CA 1.175 64.270 63.100 -0.009 0.000 0.837 414 P CB 0.227 31.909 31.700 -0.030 0.000 0.786 415 A N -1.316 121.511 122.820 0.011 0.000 2.604 415 A HA 0.469 4.789 4.320 -0.000 0.000 0.295 415 A C -1.408 176.208 177.584 0.053 0.000 1.067 415 A CA -0.682 51.370 52.037 0.026 0.000 0.683 415 A CB 1.145 20.153 19.000 0.015 0.000 1.281 415 A HN -0.209 nan 8.150 nan 0.000 0.407 416 E N 1.925 122.167 120.200 0.070 0.000 2.035 416 E HA 0.474 4.823 4.350 -0.000 0.000 0.271 416 E C -0.958 175.711 176.600 0.115 0.000 0.953 416 E CA 0.020 56.481 56.400 0.101 0.000 0.777 416 E CB 0.796 30.556 29.700 0.099 0.000 1.104 416 E HN 0.521 nan 8.360 nan 0.000 0.408 417 L N 2.343 123.649 121.223 0.139 0.000 2.330 417 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 417 L C -0.312 176.686 176.870 0.212 0.000 1.013 417 L CA -1.318 53.635 54.840 0.188 0.000 0.816 417 L CB 1.247 43.449 42.059 0.238 0.000 1.287 417 L HN 0.235 nan 8.230 nan 0.000 0.435 418 L N 2.797 124.147 121.223 0.211 0.000 2.319 418 L HA 0.453 4.792 4.340 -0.000 0.000 0.281 418 L C -0.222 176.729 176.870 0.134 0.000 1.005 418 L CA -0.171 54.775 54.840 0.176 0.000 0.828 418 L CB 1.293 43.458 42.059 0.177 0.000 1.227 418 L HN 0.527 nan 8.230 nan 0.000 0.415 419 R N 5.247 125.800 120.500 0.088 0.000 2.340 419 R HA 0.582 4.922 4.340 -0.000 0.000 0.300 419 R C -1.490 174.748 176.300 -0.103 0.000 1.069 419 R CA -0.427 55.591 56.100 -0.137 0.000 0.984 419 R CB 0.537 30.781 30.300 -0.093 0.000 1.003 419 R HN 0.744 nan 8.270 nan 0.000 0.459 420 L N 4.569 125.680 121.223 -0.186 0.000 2.325 420 L HA 0.409 4.748 4.340 -0.000 0.000 0.281 420 L C -0.019 176.795 176.870 -0.093 0.000 1.004 420 L CA -0.770 54.024 54.840 -0.076 0.000 0.823 420 L CB 1.923 43.957 42.059 -0.041 0.000 1.236 420 L HN 0.786 nan 8.230 nan 0.000 0.415 421 T N 0.404 114.948 114.554 -0.017 0.000 2.924 421 T HA 0.770 5.120 4.350 -0.000 0.000 0.291 421 T C -0.459 174.282 174.700 0.069 0.000 1.045 421 T CA -0.703 61.412 62.100 0.024 0.000 1.015 421 T CB 2.127 71.031 68.868 0.060 0.000 1.103 421 T HN 0.346 nan 8.240 nan 0.000 0.496 422 I N 2.209 122.837 120.570 0.097 0.000 2.439 422 I HA 0.348 4.517 4.170 -0.000 0.000 0.283 422 I C -2.614 173.607 176.117 0.173 0.000 1.023 422 I CA -2.617 58.771 61.300 0.147 0.000 1.100 422 I CB 2.144 40.223 38.000 0.131 0.000 1.238 422 I HN 0.413 nan 8.210 nan 0.000 0.445 423 P HA 0.121 nan 4.420 nan 0.000 0.265 423 P C -0.563 176.837 177.300 0.166 0.000 1.193 423 P CA -0.175 63.015 63.100 0.150 0.000 0.765 423 P CB 0.436 32.201 31.700 0.108 0.000 0.823 424 R N 3.068 123.680 120.500 0.186 0.000 2.570 424 R HA 0.316 4.656 4.340 -0.000 0.000 0.277 424 R C 0.810 177.250 176.300 0.234 0.000 1.039 424 R CA 0.423 56.725 56.100 0.337 0.000 1.065 424 R CB -0.120 30.422 30.300 0.404 0.000 0.964 424 R HN 0.623 nan 8.270 nan 0.000 0.428 425 A N 2.440 125.535 122.820 0.459 0.000 2.704 425 A HA -0.226 4.094 4.320 -0.000 0.000 0.299 425 A C 0.851 178.464 177.584 0.047 0.000 1.507 425 A CA 1.659 53.856 52.037 0.267 0.000 0.776 425 A CB -1.733 17.099 19.000 -0.280 0.000 1.027 425 A HN 0.874 nan 8.150 nan 0.000 0.475 426 T N -2.425 112.142 114.554 0.022 0.000 3.056 426 T HA 0.374 4.724 4.350 -0.000 0.000 0.243 426 T C 0.403 174.841 174.700 -0.436 0.000 0.995 426 T CA 1.211 63.132 62.100 -0.299 0.000 1.091 426 T CB 0.127 68.686 68.868 -0.516 0.000 0.990 426 T HN 0.477 nan 8.240 nan 0.000 0.464 427 Y N 1.753 122.118 120.300 0.108 0.000 2.567 427 Y HA 0.585 5.135 4.550 -0.000 0.000 0.333 427 Y C 0.863 176.978 175.900 0.358 0.000 1.106 427 Y CA -1.504 56.660 58.100 0.107 0.000 1.157 427 Y CB 1.037 39.436 38.460 -0.101 0.000 1.277 427 Y HN 0.018 nan 8.280 nan 0.000 0.490 428 T N -2.905 112.074 114.554 0.709 0.000 2.889 428 T HA 0.198 4.548 4.350 -0.000 0.000 0.278 428 T C 0.864 175.647 174.700 0.138 0.000 0.995 428 T CA -0.671 61.638 62.100 0.348 0.000 0.966 428 T CB 1.361 70.319 68.868 0.151 0.000 1.237 428 T HN 0.735 nan 8.240 nan 0.000 0.591 429 Q N -0.269 119.363 119.800 -0.281 0.000 2.170 429 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 429 Q C 1.924 177.836 176.000 -0.146 0.000 0.976 429 Q CA 1.937 57.385 55.803 -0.591 0.000 0.858 429 Q CB -0.678 27.401 28.738 -1.098 0.000 0.907 429 Q HN 0.875 nan 8.270 nan 0.000 0.433 430 T N -0.607 113.872 114.554 -0.125 0.000 2.821 430 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 430 T C 1.123 175.830 174.700 0.011 0.000 1.046 430 T CA 1.641 63.698 62.100 -0.071 0.000 1.139 430 T CB -0.326 68.444 68.868 -0.163 0.000 0.871 430 T HN 0.531 nan 8.240 nan 0.000 0.454 431 H N 0.420 119.546 119.070 0.093 0.000 2.389 431 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 431 H C 2.354 177.776 175.328 0.157 0.000 1.081 431 H CA 0.986 57.078 56.048 0.072 0.000 1.345 431 H CB -0.081 29.667 29.762 -0.024 0.000 1.393 431 H HN 0.122 nan 8.280 nan 0.000 0.520 432 M N 0.513 120.288 119.600 0.293 0.000 2.117 432 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 432 M C 1.269 177.753 176.300 0.306 0.000 1.065 432 M CA 1.262 56.748 55.300 0.309 0.000 1.114 432 M CB -0.510 32.347 32.600 0.430 0.000 1.361 432 M HN 0.288 nan 8.290 nan 0.000 0.408 433 D N -0.522 120.061 120.400 0.304 0.000 2.178 433 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 433 D C 1.881 178.321 176.300 0.234 0.000 0.974 433 D CA 0.812 54.961 54.000 0.249 0.000 0.841 433 D CB -0.354 40.574 40.800 0.214 0.000 0.953 433 D HN 0.298 nan 8.370 nan 0.000 0.478 434 F N 1.124 121.149 119.950 0.125 0.000 2.146 434 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 434 F C 2.181 178.061 175.800 0.133 0.000 1.096 434 F CA 0.974 59.051 58.000 0.129 0.000 1.275 434 F CB 0.006 39.110 39.000 0.173 0.000 1.008 434 F HN -0.146 nan 8.300 nan 0.000 0.480 435 I N -0.029 120.721 120.570 0.301 0.000 2.179 435 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 435 I C 2.266 178.544 176.117 0.268 0.000 1.088 435 I CA 1.398 62.849 61.300 0.252 0.000 1.357 435 I CB -0.472 37.678 38.000 0.250 0.000 1.051 435 I HN 0.111 nan 8.210 nan 0.000 0.409 436 I N 0.513 121.198 120.570 0.192 0.000 2.226 436 I HA -0.285 3.884 4.170 -0.000 0.000 0.245 436 I C 2.597 178.789 176.117 0.125 0.000 1.100 436 I CA 1.317 62.701 61.300 0.141 0.000 1.374 436 I CB -0.332 37.698 38.000 0.050 0.000 1.057 436 I HN 0.223 nan 8.210 nan 0.000 0.413 437 E N 1.418 121.647 120.200 0.048 0.000 2.110 437 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 437 E C 2.105 178.681 176.600 -0.041 0.000 0.988 437 E CA 1.621 58.010 56.400 -0.018 0.000 0.804 437 E CB -0.177 29.462 29.700 -0.100 0.000 0.745 437 E HN 0.423 nan 8.360 nan 0.000 0.458 438 A N -0.422 122.334 122.820 -0.106 0.000 1.902 438 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 438 A C 2.127 179.667 177.584 -0.074 0.000 1.181 438 A CA 1.428 53.366 52.037 -0.165 0.000 0.623 438 A CB -0.967 17.897 19.000 -0.226 0.000 0.818 438 A HN 0.363 nan 8.150 nan 0.000 0.443 439 F N -0.033 119.909 119.950 -0.014 0.000 2.234 439 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 439 F C 2.282 178.094 175.800 0.019 0.000 1.087 439 F CA 1.828 59.835 58.000 0.011 0.000 1.340 439 F CB -0.043 38.960 39.000 0.004 0.000 1.031 439 F HN 0.186 nan 8.300 nan 0.000 0.500 440 K N -0.625 119.886 120.400 0.186 0.000 2.097 440 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 440 K C 2.347 178.993 176.600 0.077 0.000 1.049 440 K CA 1.445 57.795 56.287 0.105 0.000 0.933 440 K CB -0.359 32.181 32.500 0.067 0.000 0.717 440 K HN 0.294 nan 8.250 nan 0.000 0.442 441 H N 0.208 119.264 119.070 -0.023 0.000 2.357 441 H HA -0.055 4.500 4.556 -0.000 0.000 0.301 441 H C 1.900 177.202 175.328 -0.043 0.000 1.082 441 H CA 1.540 57.560 56.048 -0.047 0.000 1.342 441 H CB 0.079 29.791 29.762 -0.085 0.000 1.389 441 H HN 0.034 nan 8.280 nan 0.000 0.511 442 V N 1.542 121.535 119.914 0.132 0.000 2.295 442 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 442 V C 2.769 178.878 176.094 0.026 0.000 1.049 442 V CA 2.125 64.464 62.300 0.066 0.000 1.024 442 V CB -0.564 31.242 31.823 -0.028 0.000 0.648 442 V HN 0.340 nan 8.190 nan 0.000 0.447 443 K N 0.050 120.480 120.400 0.050 0.000 2.103 443 K HA -0.276 4.044 4.320 -0.000 0.000 0.207 443 K C 2.204 178.796 176.600 -0.013 0.000 1.048 443 K CA 2.088 58.401 56.287 0.044 0.000 0.930 443 K CB -0.137 32.403 32.500 0.066 0.000 0.716 443 K HN 0.599 nan 8.250 nan 0.000 0.444 444 E N 0.051 120.215 120.200 -0.061 0.000 2.152 444 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 444 E C 0.867 177.385 176.600 -0.136 0.000 0.983 444 E CA 1.042 57.376 56.400 -0.110 0.000 0.818 444 E CB 0.095 29.695 29.700 -0.165 0.000 0.758 444 E HN 0.234 nan 8.360 nan 0.000 0.467 445 N N -0.735 117.874 118.700 -0.153 0.000 2.234 445 N HA 0.172 4.912 4.740 -0.000 0.000 0.227 445 N C 0.748 176.224 175.510 -0.057 0.000 1.151 445 N CA 0.622 53.597 53.050 -0.124 0.000 0.865 445 N CB 0.502 38.892 38.487 -0.161 0.000 1.066 445 N HN 0.193 nan 8.380 nan 0.000 0.515 446 A N 0.756 123.554 122.820 -0.035 0.000 1.884 446 A HA -0.147 4.172 4.320 -0.000 0.000 0.219 446 A C 2.342 179.893 177.584 -0.054 0.000 1.197 446 A CA 1.972 54.021 52.037 0.019 0.000 0.637 446 A CB -1.346 17.680 19.000 0.042 0.000 0.827 446 A HN 0.416 nan 8.150 nan 0.000 0.450 447 A N -0.221 122.468 122.820 -0.217 0.000 2.032 447 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 447 A C 1.729 179.089 177.584 -0.374 0.000 1.165 447 A CA 1.826 53.563 52.037 -0.499 0.000 0.645 447 A CB -0.631 18.192 19.000 -0.296 0.000 0.807 447 A HN 0.624 nan 8.150 nan 0.000 0.453 448 N N -0.478 118.141 118.700 -0.134 0.000 2.412 448 N HA 0.136 4.876 4.740 -0.000 0.000 0.184 448 N C 0.156 175.697 175.510 0.052 0.000 1.101 448 N CA 0.202 53.229 53.050 -0.038 0.000 0.881 448 N CB 0.121 38.589 38.487 -0.030 0.000 0.969 448 N HN 0.496 nan 8.380 nan 0.000 0.459 449 I N 1.660 122.309 120.570 0.131 0.000 2.529 449 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 449 I C 0.518 176.757 176.117 0.204 0.000 1.082 449 I CA -0.004 61.389 61.300 0.155 0.000 1.406 449 I CB 0.700 38.784 38.000 0.140 0.000 1.405 449 I HN -0.276 nan 8.210 nan 0.000 0.548 450 K N 3.799 124.250 120.400 0.085 0.000 2.095 450 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 450 K C 0.289 176.875 176.600 -0.023 0.000 0.977 450 K CA -0.657 55.656 56.287 0.042 0.000 0.900 450 K CB 1.442 33.959 32.500 0.028 0.000 1.060 450 K HN 0.750 nan 8.250 nan 0.000 0.449 451 G N 1.072 109.838 108.800 -0.057 0.000 2.616 451 G HA2 0.441 4.401 3.960 -0.000 0.000 0.268 451 G HA3 0.441 4.401 3.960 -0.000 0.000 0.268 451 G C -0.532 174.326 174.900 -0.069 0.000 1.213 451 G CA -0.626 44.420 45.100 -0.090 0.000 0.926 451 G HN 0.360 nan 8.290 nan 0.000 0.523 452 L N -1.092 120.082 121.223 -0.082 0.000 2.301 452 L HA 0.746 5.086 4.340 -0.000 0.000 0.264 452 L C 0.074 176.894 176.870 -0.083 0.000 1.016 452 L CA -0.818 53.981 54.840 -0.068 0.000 0.821 452 L CB 2.642 44.658 42.059 -0.071 0.000 1.346 452 L HN 0.608 nan 8.230 nan 0.000 0.429 453 T N 0.064 114.580 114.554 -0.063 0.000 2.956 453 T HA 0.538 4.888 4.350 -0.000 0.000 0.312 453 T C -0.856 173.852 174.700 0.012 0.000 1.151 453 T CA -0.460 61.635 62.100 -0.008 0.000 1.024 453 T CB 0.658 69.549 68.868 0.040 0.000 1.140 453 T HN 0.182 nan 8.240 nan 0.000 0.473 454 F N 2.472 122.528 119.950 0.177 0.000 2.553 454 F HA 0.274 4.801 4.527 -0.000 0.000 0.356 454 F C 2.155 178.029 175.800 0.124 0.000 1.142 454 F CA 0.647 58.744 58.000 0.161 0.000 1.322 454 F CB 1.009 40.102 39.000 0.155 0.000 1.126 454 F HN 0.740 nan 8.300 nan 0.000 0.599 455 T N -1.464 113.293 114.554 0.340 0.000 2.958 455 T HA 0.170 4.519 4.350 -0.000 0.000 0.256 455 T C -0.726 174.172 174.700 0.329 0.000 0.983 455 T CA -0.116 62.136 62.100 0.254 0.000 0.924 455 T CB -0.131 68.847 68.868 0.184 0.000 1.136 455 T HN 0.479 nan 8.240 nan 0.000 0.506 456 Y N 0.895 121.342 120.300 0.244 0.000 2.348 456 Y HA 0.593 5.143 4.550 -0.000 0.000 0.321 456 Y C -1.979 174.074 175.900 0.254 0.000 1.163 456 Y CA -1.438 56.774 58.100 0.187 0.000 1.070 456 Y CB 1.560 40.104 38.460 0.140 0.000 1.250 456 Y HN 0.197 nan 8.280 nan 0.000 0.425 457 E N 8.117 127.979 120.200 -0.565 0.000 2.265 457 E HA 0.490 4.840 4.350 -0.000 0.000 0.262 457 E C -2.868 173.339 176.600 -0.655 0.000 0.889 457 E CA -2.229 53.828 56.400 -0.571 0.000 0.789 457 E CB 1.972 31.241 29.700 -0.719 0.000 1.221 457 E HN 0.467 nan 8.360 nan 0.000 0.414 458 P HA 0.116 nan 4.420 nan 0.000 0.274 458 P C 0.326 177.485 177.300 -0.235 0.000 1.237 458 P CA -0.522 62.380 63.100 -0.330 0.000 0.793 458 P CB 0.809 32.398 31.700 -0.184 0.000 0.977 459 K N 0.125 120.433 120.400 -0.152 0.000 2.155 459 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 459 K C 0.707 177.243 176.600 -0.108 0.000 1.052 459 K CA 0.842 57.055 56.287 -0.124 0.000 0.948 459 K CB -0.221 32.231 32.500 -0.080 0.000 0.728 459 K HN 0.297 nan 8.250 nan 0.000 0.448 460 V N 0.374 120.234 119.914 -0.090 0.000 2.962 460 V HA 0.282 4.402 4.120 -0.000 0.000 0.313 460 V C -0.383 175.665 176.094 -0.075 0.000 1.099 460 V CA -0.983 61.274 62.300 -0.071 0.000 0.971 460 V CB 1.346 33.144 31.823 -0.042 0.000 1.028 460 V HN 0.332 nan 8.190 nan 0.000 0.430 461 L N 4.975 126.158 121.223 -0.066 0.000 3.678 461 L HA -0.222 4.118 4.340 -0.000 0.000 0.425 461 L C 2.024 178.738 176.870 -0.260 0.000 1.240 461 L CA 1.163 55.933 54.840 -0.117 0.000 0.876 461 L CB -1.157 40.870 42.059 -0.053 0.000 1.766 461 L HN 0.959 nan 8.230 nan 0.000 0.917 462 R N 0.311 120.701 120.500 -0.184 0.000 2.127 462 R HA -0.205 4.134 4.340 -0.000 0.000 0.238 462 R C 2.117 178.231 176.300 -0.309 0.000 1.134 462 R CA 1.861 57.837 56.100 -0.208 0.000 0.975 462 R CB -0.618 29.566 30.300 -0.193 0.000 0.865 462 R HN 0.779 nan 8.270 nan 0.000 0.447 463 H N -0.194 118.467 119.070 -0.681 0.000 2.457 463 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 463 H C 1.550 176.727 175.328 -0.250 0.000 1.092 463 H CA 1.231 56.794 56.048 -0.809 0.000 1.309 463 H CB -0.828 28.430 29.762 -0.841 0.000 1.382 463 H HN 0.365 nan 8.280 nan 0.000 0.535 464 F N 1.829 121.308 119.950 -0.785 0.000 2.234 464 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 464 F C 2.137 177.827 175.800 -0.183 0.000 1.089 464 F CA 1.330 58.911 58.000 -0.698 0.000 1.343 464 F CB 0.379 38.931 39.000 -0.748 0.000 1.040 464 F HN 0.364 nan 8.300 nan 0.000 0.498 465 T N -2.963 111.667 114.554 0.127 0.000 3.111 465 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 465 T C 0.310 175.216 174.700 0.343 0.000 0.983 465 T CA -0.161 62.074 62.100 0.224 0.000 0.900 465 T CB -0.289 68.705 68.868 0.211 0.000 1.132 465 T HN 0.083 nan 8.240 nan 0.000 0.531 466 A N 1.751 124.762 122.820 0.317 0.000 2.425 466 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 466 A C 0.037 177.883 177.584 0.436 0.000 1.077 466 A CA -0.281 51.998 52.037 0.405 0.000 0.781 466 A CB 0.341 19.670 19.000 0.549 0.000 1.020 466 A HN 0.537 nan 8.150 nan 0.000 0.494 467 K N 0.585 121.256 120.400 0.452 0.000 2.316 467 K HA 0.667 4.987 4.320 -0.000 0.000 0.251 467 K C -1.525 175.202 176.600 0.212 0.000 0.934 467 K CA -0.425 56.039 56.287 0.294 0.000 0.802 467 K CB 1.735 34.408 32.500 0.288 0.000 1.171 467 K HN 0.502 nan 8.250 nan 0.000 0.426 468 L N 1.328 122.591 121.223 0.067 0.000 2.301 468 L HA 0.578 4.918 4.340 -0.000 0.000 0.249 468 L C -0.871 176.001 176.870 0.003 0.000 1.069 468 L CA -0.780 54.052 54.840 -0.013 0.000 0.865 468 L CB 1.516 43.456 42.059 -0.199 0.000 1.467 468 L HN 0.622 nan 8.230 nan 0.000 0.419 469 K N -1.310 119.087 120.400 -0.004 0.000 2.509 469 K HA 0.635 4.955 4.320 -0.000 0.000 0.266 469 K C -1.275 175.319 176.600 -0.010 0.000 0.987 469 K CA -0.887 55.403 56.287 0.005 0.000 0.868 469 K CB 2.033 34.550 32.500 0.029 0.000 1.421 469 K HN 0.427 nan 8.250 nan 0.000 0.444 470 E N 0.974 121.171 120.200 -0.005 0.000 2.366 470 E HA 0.176 4.525 4.350 -0.000 0.000 0.266 470 E C -0.267 176.331 176.600 -0.003 0.000 1.051 470 E CA -0.710 55.685 56.400 -0.008 0.000 0.884 470 E CB 1.495 31.195 29.700 -0.000 0.000 1.006 470 E HN 0.280 nan 8.360 nan 0.000 0.417 471 V N 0.000 119.908 119.914 -0.010 0.000 2.409 471 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 471 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 471 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556