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 2gl6_1_D DATA FIRST_RESID 48 DATA SEQUENCE FPPSADYPDL RKHNNCMAEC LTPAIYAKLR NKVTPNGYTL DQCIQTGVDN DATA SEQUENCE PXXXXXKTVG MVAGDEESYE VFADLFDPVI KLRHNGYDPR VMKHTTDLDA DATA SEQUENCE SKITQGQFDE HYVLSSRVRT GRSIRGLSLP PACTRAERRE VENVAITALE DATA SEQUENCE GLKGDLAGRY YKLSEMTEQD QQRLIDDHFL FDKPVSPLLT CAGMARDWPD DATA SEQUENCE ARGIWHNYDK TFLIWINEED HTRVISMEKG GNMKRVFERF CRGLKEVERL DATA SEQUENCE IQERGWEFMW NERLGYILTC PSNLGTGLRA GVHVRIPKLS KDPRFSKILE DATA SEQUENCE NLRLQKRGTG GVDTAAVADV YDISNIDRIG RSEVELVQIV IDGVNYLVDC DATA SEQUENCE EKKLXXXXXX KVPPPLPQ 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 48 F HA 0.000 nan 4.527 nan 0.000 0.279 48 F C 0.000 175.819 175.800 0.032 0.000 0.967 48 F CA 0.000 58.016 58.000 0.026 0.000 1.383 48 F CB 0.000 39.020 39.000 0.033 0.000 1.145 49 P HA 0.322 nan 4.420 nan 0.000 0.275 49 P C -2.299 175.101 177.300 0.166 0.000 1.228 49 P CA -1.311 61.877 63.100 0.146 0.000 0.786 49 P CB 0.408 32.175 31.700 0.110 0.000 0.927 50 P HA -0.193 nan 4.420 nan 0.000 0.216 50 P C 1.336 178.814 177.300 0.297 0.000 1.154 50 P CA 1.654 64.863 63.100 0.181 0.000 0.865 50 P CB -0.112 31.652 31.700 0.108 0.000 0.789 51 S N -0.785 115.032 115.700 0.194 0.000 2.419 51 S HA -0.124 4.345 4.470 -0.000 0.000 0.233 51 S C 2.007 176.685 174.600 0.131 0.000 1.016 51 S CA 1.137 59.425 58.200 0.147 0.000 0.974 51 S CB -0.973 62.251 63.200 0.040 0.000 0.786 51 S HN 0.172 nan 8.310 nan 0.000 0.492 52 A N 1.602 124.495 122.820 0.123 0.000 1.978 52 A HA -0.166 4.153 4.320 -0.000 0.000 0.220 52 A C 1.676 179.269 177.584 0.015 0.000 1.170 52 A CA 1.618 53.694 52.037 0.064 0.000 0.636 52 A CB -0.366 18.696 19.000 0.104 0.000 0.810 52 A HN 0.335 nan 8.150 nan 0.000 0.448 53 D N -2.487 117.975 120.400 0.103 0.000 2.339 53 D HA 0.081 4.721 4.640 -0.000 0.000 0.217 53 D C -0.256 175.990 176.300 -0.091 0.000 1.050 53 D CA -0.113 53.931 54.000 0.074 0.000 0.856 53 D CB -0.125 40.834 40.800 0.266 0.000 0.922 53 D HN 0.481 nan 8.370 nan 0.000 0.518 54 Y N 3.442 123.593 120.300 -0.249 0.000 2.632 54 Y HA 0.085 4.634 4.550 -0.001 0.000 0.329 54 Y C -1.776 173.864 175.900 -0.434 0.000 1.174 54 Y CA -1.743 56.029 58.100 -0.547 0.000 1.469 54 Y CB 0.371 38.651 38.460 -0.300 0.000 1.242 54 Y HN -0.049 nan 8.280 nan 0.000 0.540 55 P HA -0.007 nan 4.420 nan 0.000 0.269 55 P C -1.065 175.920 177.300 -0.525 0.000 1.215 55 P CA -0.147 62.552 63.100 -0.668 0.000 0.780 55 P CB 0.781 32.064 31.700 -0.695 0.000 0.898 56 D N 1.894 122.086 120.400 -0.347 0.000 2.380 56 D HA 0.153 4.793 4.640 -0.000 0.000 0.230 56 D C 0.309 176.316 176.300 -0.489 0.000 1.154 56 D CA -0.164 53.675 54.000 -0.269 0.000 0.859 56 D CB -0.158 40.548 40.800 -0.155 0.000 1.045 56 D HN 0.218 nan 8.370 nan 0.000 0.495 57 L N 3.394 124.334 121.223 -0.472 0.000 2.818 57 L HA 0.288 4.628 4.340 -0.000 0.000 0.243 57 L C 0.983 177.663 176.870 -0.317 0.000 1.185 57 L CA -0.410 54.015 54.840 -0.692 0.000 0.988 57 L CB 0.033 41.849 42.059 -0.406 0.000 1.292 57 L HN 0.110 nan 8.230 nan 0.000 0.519 58 R N 1.284 121.690 120.500 -0.157 0.000 2.585 58 R HA 0.185 4.524 4.340 -0.000 0.000 0.275 58 R C 1.113 177.501 176.300 0.146 0.000 1.018 58 R CA 0.758 56.858 56.100 -0.000 0.000 1.072 58 R CB 0.069 30.370 30.300 0.002 0.000 0.953 58 R HN 0.179 nan 8.270 nan 0.000 0.419 59 K N 0.627 121.097 120.400 0.117 0.000 3.129 59 K HA -0.201 4.119 4.320 -0.000 0.000 0.273 59 K C -0.994 175.699 176.600 0.154 0.000 1.123 59 K CA 1.950 58.303 56.287 0.111 0.000 0.800 59 K CB -2.662 29.879 32.500 0.068 0.000 1.238 59 K HN 0.768 nan 8.250 nan 0.000 0.492 60 H N -0.496 118.555 119.070 -0.032 0.000 2.457 60 H HA 0.669 5.225 4.556 -0.000 0.000 0.335 60 H C 0.122 175.432 175.328 -0.031 0.000 1.115 60 H CA -0.877 55.148 56.048 -0.038 0.000 1.219 60 H CB 1.794 31.523 29.762 -0.055 0.000 1.471 60 H HN 0.443 nan 8.280 nan 0.000 0.491 61 N N 2.673 121.393 118.700 0.032 0.000 2.841 61 N HA 0.113 4.853 4.740 -0.000 0.000 0.257 61 N C -1.624 173.888 175.510 0.003 0.000 1.396 61 N CA -0.700 52.358 53.050 0.014 0.000 0.823 61 N CB -0.079 38.404 38.487 -0.007 0.000 1.162 61 N HN 0.800 nan 8.380 nan 0.000 0.503 62 N N -0.835 117.877 118.700 0.020 0.000 2.610 62 N HA 0.309 5.049 4.740 -0.000 0.000 0.264 62 N C 0.167 175.682 175.510 0.008 0.000 1.348 62 N CA -0.786 52.269 53.050 0.007 0.000 0.819 62 N CB 0.544 39.034 38.487 0.004 0.000 1.521 62 N HN -0.041 nan 8.380 nan 0.000 0.497 63 C N -0.576 118.725 119.300 0.002 0.000 2.429 63 C HA -0.054 4.405 4.460 -0.000 0.000 0.277 63 C C 2.576 177.566 174.990 0.000 0.000 1.262 63 C CA 0.472 59.493 59.018 0.005 0.000 1.733 63 C CB -1.072 26.674 27.740 0.009 0.000 2.010 63 C HN 0.780 nan 8.230 nan 0.000 0.483 64 M N 2.021 121.612 119.600 -0.016 0.000 2.065 64 M HA -0.151 4.328 4.480 -0.000 0.000 0.259 64 M C 2.380 178.655 176.300 -0.043 0.000 1.069 64 M CA 2.607 57.878 55.300 -0.048 0.000 1.110 64 M CB -1.113 31.441 32.600 -0.078 0.000 1.328 64 M HN 0.341 nan 8.290 nan 0.000 0.405 65 A N -0.285 122.518 122.820 -0.029 0.000 1.933 65 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 65 A C 2.026 179.603 177.584 -0.011 0.000 1.175 65 A CA 2.065 54.081 52.037 -0.036 0.000 0.628 65 A CB -0.878 18.133 19.000 0.018 0.000 0.814 65 A HN 0.749 nan 8.150 nan 0.000 0.444 66 E N -1.217 118.987 120.200 0.006 0.000 2.208 66 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 66 E C 1.504 178.116 176.600 0.021 0.000 0.988 66 E CA 1.324 57.733 56.400 0.015 0.000 0.828 66 E CB -0.131 29.578 29.700 0.016 0.000 0.763 66 E HN 0.632 nan 8.360 nan 0.000 0.478 67 C N 0.096 119.406 119.300 0.018 0.000 2.674 67 C HA 0.276 4.736 4.460 -0.000 0.000 0.276 67 C C 0.693 175.708 174.990 0.041 0.000 1.300 67 C CA -0.839 58.197 59.018 0.030 0.000 1.732 67 C CB -0.482 27.276 27.740 0.030 0.000 2.076 67 C HN 0.357 nan 8.230 nan 0.000 0.548 68 L N 2.991 124.234 121.223 0.033 0.000 2.455 68 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 68 L C 0.574 177.537 176.870 0.154 0.000 1.174 68 L CA 1.303 56.186 54.840 0.071 0.000 0.869 68 L CB 0.441 42.492 42.059 -0.013 0.000 1.130 68 L HN 0.425 nan 8.230 nan 0.000 0.474 69 T N 1.699 116.369 114.554 0.194 0.000 2.916 69 T HA 0.541 4.890 4.350 -0.000 0.000 0.292 69 T C -2.094 172.725 174.700 0.199 0.000 1.055 69 T CA -1.770 60.426 62.100 0.161 0.000 1.009 69 T CB 1.609 70.519 68.868 0.070 0.000 1.118 69 T HN 0.353 nan 8.240 nan 0.000 0.497 70 P HA -0.155 nan 4.420 nan 0.000 0.216 70 P C 1.634 178.966 177.300 0.053 0.000 1.154 70 P CA 2.002 64.977 63.100 -0.209 0.000 0.865 70 P CB -0.216 31.274 31.700 -0.349 0.000 0.789 71 A N -1.261 121.582 122.820 0.038 0.000 1.898 71 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 71 A C 2.203 179.839 177.584 0.086 0.000 1.181 71 A CA 1.361 53.429 52.037 0.051 0.000 0.620 71 A CB -1.486 17.531 19.000 0.028 0.000 0.819 71 A HN 0.121 nan 8.150 nan 0.000 0.442 72 I N -2.231 118.409 120.570 0.118 0.000 2.252 72 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 72 I C 2.439 178.648 176.117 0.152 0.000 1.102 72 I CA 1.459 62.833 61.300 0.123 0.000 1.385 72 I CB -0.386 37.688 38.000 0.123 0.000 1.064 72 I HN 0.478 nan 8.210 nan 0.000 0.414 73 Y N 1.732 122.101 120.300 0.115 0.000 2.128 73 Y HA -0.305 4.247 4.550 0.002 0.000 0.284 73 Y C 2.550 178.508 175.900 0.097 0.000 1.154 73 Y CA 1.474 59.647 58.100 0.122 0.000 1.149 73 Y CB -0.481 38.141 38.460 0.269 0.000 0.976 73 Y HN 0.125 nan 8.280 nan 0.000 0.505 74 A N -0.269 122.616 122.820 0.108 0.000 1.902 74 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 74 A C 2.289 179.852 177.584 -0.035 0.000 1.181 74 A CA 2.238 54.284 52.037 0.015 0.000 0.623 74 A CB -1.024 18.012 19.000 0.060 0.000 0.818 74 A HN 0.308 nan 8.150 nan 0.000 0.443 75 K N -0.537 119.863 120.400 0.000 0.000 2.148 75 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 75 K C 1.748 178.348 176.600 -0.001 0.000 1.050 75 K CA 1.411 57.701 56.287 0.005 0.000 0.942 75 K CB -0.594 31.924 32.500 0.029 0.000 0.724 75 K HN 0.612 nan 8.250 nan 0.000 0.446 76 L N -0.737 120.477 121.223 -0.016 0.000 2.515 76 L HA 0.306 4.646 4.340 -0.000 0.000 0.223 76 L C 2.763 179.614 176.870 -0.032 0.000 1.079 76 L CA 0.411 55.285 54.840 0.056 0.000 0.857 76 L CB -0.397 41.758 42.059 0.161 0.000 1.050 76 L HN 0.212 nan 8.230 nan 0.000 0.476 77 R N 1.090 121.409 120.500 -0.303 0.000 2.119 77 R HA -0.199 4.141 4.340 -0.000 0.000 0.246 77 R C 1.395 177.610 176.300 -0.143 0.000 1.146 77 R CA 1.871 57.713 56.100 -0.430 0.000 0.962 77 R CB -0.012 29.922 30.300 -0.609 0.000 0.863 77 R HN 0.410 nan 8.270 nan 0.000 0.442 78 N N 0.197 118.859 118.700 -0.063 0.000 2.280 78 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 78 N C -0.469 175.064 175.510 0.037 0.000 1.109 78 N CA 0.304 53.350 53.050 -0.007 0.000 0.855 78 N CB 0.431 38.913 38.487 -0.009 0.000 0.974 78 N HN 0.041 nan 8.380 nan 0.000 0.482 79 K N 1.354 121.803 120.400 0.083 0.000 2.185 79 K HA 0.324 4.643 4.320 -0.000 0.000 0.271 79 K C 0.312 177.014 176.600 0.171 0.000 1.013 79 K CA -0.396 55.937 56.287 0.076 0.000 0.943 79 K CB 1.668 34.172 32.500 0.007 0.000 0.998 79 K HN -0.134 nan 8.250 nan 0.000 0.468 80 V N -2.271 117.684 119.914 0.068 0.000 3.007 80 V HA 0.553 4.673 4.120 -0.000 0.000 0.311 80 V C 0.177 176.288 176.094 0.030 0.000 1.120 80 V CA -1.126 61.262 62.300 0.147 0.000 0.980 80 V CB 1.461 33.354 31.823 0.117 0.000 1.033 80 V HN 0.866 nan 8.190 nan 0.000 0.429 81 T N -0.324 114.302 114.554 0.119 0.000 2.788 81 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 81 T C -1.563 173.186 174.700 0.082 0.000 1.007 81 T CA -1.090 61.051 62.100 0.070 0.000 1.005 81 T CB 0.923 69.893 68.868 0.169 0.000 1.012 81 T HN 0.589 nan 8.240 nan 0.000 0.530 82 P HA -0.094 nan 4.420 nan 0.000 0.217 82 P C 0.912 178.258 177.300 0.078 0.000 1.148 82 P CA 1.029 64.163 63.100 0.057 0.000 0.834 82 P CB -0.075 31.654 31.700 0.047 0.000 0.783 83 N N -1.899 116.863 118.700 0.104 0.000 2.383 83 N HA 0.128 4.868 4.740 -0.000 0.000 0.192 83 N C 1.200 176.798 175.510 0.147 0.000 1.141 83 N CA 1.046 54.167 53.050 0.118 0.000 0.851 83 N CB -0.303 38.258 38.487 0.123 0.000 0.976 83 N HN 0.141 nan 8.380 nan 0.000 0.465 84 G N -0.167 108.726 108.800 0.155 0.000 2.141 84 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.242 84 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.242 84 G C -0.272 174.754 174.900 0.210 0.000 0.982 84 G CA -0.286 44.906 45.100 0.152 0.000 0.662 84 G HN 0.402 nan 8.290 nan 0.000 0.527 85 Y N 2.671 123.058 120.300 0.145 0.000 2.359 85 Y HA 0.493 5.042 4.550 -0.002 0.000 0.330 85 Y C 1.220 177.283 175.900 0.272 0.000 1.143 85 Y CA 0.594 58.800 58.100 0.177 0.000 1.318 85 Y CB 0.884 39.461 38.460 0.195 0.000 1.234 85 Y HN 0.413 nan 8.280 nan 0.000 0.522 86 T N 2.973 117.340 114.554 -0.312 0.000 2.950 86 T HA 0.254 4.604 4.350 -0.000 0.000 0.288 86 T C 0.712 175.009 174.700 -0.671 0.000 1.035 86 T CA -0.883 61.101 62.100 -0.194 0.000 1.028 86 T CB 1.402 70.162 68.868 -0.181 0.000 1.109 86 T HN 0.642 nan 8.240 nan 0.000 0.514 87 L N 0.874 121.644 121.223 -0.754 0.000 1.989 87 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 87 L C 1.974 178.548 176.870 -0.494 0.000 1.071 87 L CA 2.113 56.406 54.840 -0.912 0.000 0.749 87 L CB -1.125 40.633 42.059 -0.501 0.000 0.890 87 L HN 0.777 nan 8.230 nan 0.000 0.431 88 D N -0.859 119.365 120.400 -0.293 0.000 2.133 88 D HA -0.223 4.416 4.640 -0.000 0.000 0.195 88 D C 2.248 178.400 176.300 -0.245 0.000 0.997 88 D CA 1.368 55.262 54.000 -0.177 0.000 0.840 88 D CB -0.076 40.666 40.800 -0.097 0.000 0.947 88 D HN 0.537 nan 8.370 nan 0.000 0.452 89 Q N -0.461 119.105 119.800 -0.391 0.000 2.046 89 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 89 Q C 2.507 178.343 176.000 -0.272 0.000 0.975 89 Q CA 1.130 56.675 55.803 -0.429 0.000 0.836 89 Q CB -0.196 28.000 28.738 -0.903 0.000 0.896 89 Q HN 0.324 nan 8.270 nan 0.000 0.428 90 C N 0.861 119.954 119.300 -0.346 0.000 2.376 90 C HA -0.187 4.273 4.460 -0.000 0.000 0.275 90 C C 2.553 177.464 174.990 -0.131 0.000 1.200 90 C CA 1.217 60.178 59.018 -0.095 0.000 1.756 90 C CB -1.120 26.413 27.740 -0.345 0.000 2.050 90 C HN 0.650 nan 8.230 nan 0.000 0.460 91 I N -0.613 119.832 120.570 -0.207 0.000 3.578 91 I HA 0.020 4.190 4.170 -0.000 0.000 0.295 91 I C 2.257 178.310 176.117 -0.107 0.000 1.280 91 I CA 0.837 62.040 61.300 -0.162 0.000 1.347 91 I CB -0.703 37.185 38.000 -0.185 0.000 1.051 91 I HN 0.195 nan 8.210 nan 0.000 0.460 92 Q N 1.809 121.553 119.800 -0.093 0.000 2.096 92 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 92 Q C 2.309 178.287 176.000 -0.037 0.000 0.993 92 Q CA 3.039 58.802 55.803 -0.067 0.000 0.862 92 Q CB -0.808 27.898 28.738 -0.053 0.000 0.915 92 Q HN 0.554 nan 8.270 nan 0.000 0.416 93 T N -1.533 113.009 114.554 -0.020 0.000 2.788 93 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 93 T C 1.520 176.212 174.700 -0.013 0.000 1.044 93 T CA 1.465 63.559 62.100 -0.010 0.000 1.139 93 T CB -0.612 68.260 68.868 0.006 0.000 0.867 93 T HN 0.549 nan 8.240 nan 0.000 0.454 94 G N 0.172 108.963 108.800 -0.015 0.000 2.448 94 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.218 94 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.218 94 G C 1.634 176.581 174.900 0.078 0.000 1.135 94 G CA 0.888 45.992 45.100 0.007 0.000 0.784 94 G HN 0.494 nan 8.290 nan 0.000 0.543 95 V N 1.223 121.151 119.914 0.024 0.000 2.323 95 V HA -0.089 4.031 4.120 -0.000 0.000 0.244 95 V C 2.435 178.618 176.094 0.149 0.000 1.041 95 V CA 1.975 64.305 62.300 0.051 0.000 1.025 95 V CB -0.331 31.440 31.823 -0.087 0.000 0.656 95 V HN 0.212 nan 8.190 nan 0.000 0.451 96 D N 0.157 120.577 120.400 0.033 0.000 2.219 96 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 96 D C 0.714 176.983 176.300 -0.052 0.000 0.970 96 D CA 0.867 54.868 54.000 0.001 0.000 0.851 96 D CB -0.175 40.613 40.800 -0.019 0.000 0.943 96 D HN 0.403 nan 8.370 nan 0.000 0.488 97 N N 1.661 120.310 118.700 -0.084 0.000 2.626 97 N HA 0.228 4.967 4.740 -0.000 0.000 0.242 97 N C -2.562 172.777 175.510 -0.285 0.000 1.005 97 N CA -1.027 51.935 53.050 -0.147 0.000 0.905 97 N CB 2.079 40.516 38.487 -0.083 0.000 1.128 97 N HN 0.019 nan 8.380 nan 0.000 0.512 105 T N -1.144 113.400 114.554 -0.016 0.000 2.816 105 T HA 0.223 4.573 4.350 -0.000 0.000 0.282 105 T C 1.370 176.066 174.700 -0.007 0.000 0.993 105 T CA -0.759 61.334 62.100 -0.011 0.000 0.994 105 T CB 1.368 70.229 68.868 -0.011 0.000 1.025 105 T HN 0.135 nan 8.240 nan 0.000 0.529 106 V N 1.127 121.044 119.914 0.005 0.000 2.323 106 V HA 0.193 4.312 4.120 -0.000 0.000 0.244 106 V C 2.445 178.547 176.094 0.014 0.000 1.041 106 V CA 1.950 64.262 62.300 0.020 0.000 1.025 106 V CB -1.631 30.227 31.823 0.058 0.000 0.656 106 V HN 1.418 nan 8.190 nan 0.000 0.451 107 G N 0.597 109.404 108.800 0.012 0.000 2.143 107 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.249 107 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.249 107 G C 0.070 174.959 174.900 -0.019 0.000 0.981 107 G CA 0.641 45.740 45.100 -0.003 0.000 0.665 107 G HN 0.756 nan 8.290 nan 0.000 0.528 108 M N -1.695 117.907 119.600 0.003 0.000 2.578 108 M HA 0.797 5.276 4.480 -0.000 0.000 0.276 108 M C -0.693 175.668 176.300 0.102 0.000 1.245 108 M CA -0.899 54.391 55.300 -0.016 0.000 0.871 108 M CB 2.613 35.108 32.600 -0.174 0.000 1.722 108 M HN 0.998 nan 8.290 nan 0.000 0.473 109 V N -0.889 119.110 119.914 0.141 0.000 3.078 109 V HA 1.028 5.148 4.120 -0.000 0.000 0.311 109 V C -0.626 175.644 176.094 0.293 0.000 1.138 109 V CA -0.461 61.964 62.300 0.209 0.000 1.007 109 V CB 1.379 33.283 31.823 0.135 0.000 1.045 109 V HN 1.254 nan 8.190 nan 0.000 0.432 110 A N 1.687 124.573 122.820 0.110 0.000 2.309 110 A HA 0.760 5.080 4.320 -0.000 0.000 0.298 110 A C 1.109 178.536 177.584 -0.261 0.000 1.165 110 A CA 0.088 52.059 52.037 -0.111 0.000 0.821 110 A CB 1.051 19.676 19.000 -0.624 0.000 1.102 110 A HN 1.870 nan 8.150 nan 0.000 0.500 111 G N 0.836 109.215 108.800 -0.702 0.000 2.744 111 G HA2 0.375 4.335 3.960 -0.000 0.000 0.211 111 G HA3 0.375 4.335 3.960 -0.000 0.000 0.211 111 G C -0.042 174.538 174.900 -0.532 0.000 1.146 111 G CA 0.867 45.208 45.100 -1.265 0.000 0.787 111 G HN 0.890 nan 8.290 nan 0.000 0.534 112 D N -2.771 117.464 120.400 -0.275 0.000 2.692 112 D HA 0.118 4.758 4.640 -0.000 0.000 0.290 112 D C 0.580 176.886 176.300 0.009 0.000 1.281 112 D CA -0.757 53.201 54.000 -0.071 0.000 0.804 112 D CB 0.602 41.400 40.800 -0.003 0.000 1.331 112 D HN -0.094 nan 8.370 nan 0.000 0.432 113 E N -0.582 119.660 120.200 0.070 0.000 2.085 113 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 113 E C 0.887 177.551 176.600 0.107 0.000 0.994 113 E CA 1.553 58.021 56.400 0.113 0.000 0.801 113 E CB 0.122 29.885 29.700 0.104 0.000 0.743 113 E HN 0.472 nan 8.360 nan 0.000 0.453 114 E N -0.080 120.164 120.200 0.073 0.000 2.268 114 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 114 E C 1.995 178.621 176.600 0.043 0.000 0.995 114 E CA 0.936 57.365 56.400 0.050 0.000 0.836 114 E CB 0.010 29.733 29.700 0.037 0.000 0.763 114 E HN 0.104 nan 8.360 nan 0.000 0.491 115 S N 0.188 115.941 115.700 0.088 0.000 2.387 115 S HA -0.203 4.266 4.470 -0.000 0.000 0.230 115 S C 1.474 176.152 174.600 0.130 0.000 1.035 115 S CA 1.171 59.526 58.200 0.260 0.000 1.014 115 S CB -0.429 62.954 63.200 0.305 0.000 0.836 115 S HN 0.352 nan 8.310 nan 0.000 0.466 116 Y N 1.440 121.641 120.300 -0.165 0.000 2.333 116 Y HA -0.052 4.497 4.550 -0.002 0.000 0.290 116 Y C 2.490 178.380 175.900 -0.018 0.000 1.144 116 Y CA 0.993 58.889 58.100 -0.339 0.000 1.228 116 Y CB -0.177 38.038 38.460 -0.408 0.000 0.985 116 Y HN 0.350 nan 8.280 nan 0.000 0.542 117 E N -0.564 119.699 120.200 0.106 0.000 2.065 117 E HA -0.088 4.261 4.350 -0.000 0.000 0.191 117 E C 2.207 178.801 176.600 -0.010 0.000 0.960 117 E CA 0.826 57.256 56.400 0.050 0.000 0.824 117 E CB -0.083 29.625 29.700 0.013 0.000 0.793 117 E HN 0.108 nan 8.360 nan 0.000 0.459 118 V N 0.733 120.558 119.914 -0.148 0.000 2.332 118 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 118 V C 1.252 177.070 176.094 -0.460 0.000 1.055 118 V CA 1.550 63.599 62.300 -0.418 0.000 1.038 118 V CB -0.391 30.985 31.823 -0.745 0.000 0.651 118 V HN 0.266 nan 8.190 nan 0.000 0.450 119 F N -0.259 119.817 119.950 0.211 0.000 2.750 119 F HA 0.561 5.092 4.527 0.006 0.000 0.297 119 F C 1.730 177.709 175.800 0.297 0.000 1.138 119 F CA -0.083 58.046 58.000 0.216 0.000 1.346 119 F CB -0.969 38.146 39.000 0.192 0.000 0.965 119 F HN -0.003 nan 8.300 nan 0.000 0.514 120 A N 0.155 123.177 122.820 0.336 0.000 1.927 120 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 120 A C 2.003 179.736 177.584 0.249 0.000 1.185 120 A CA 2.310 54.528 52.037 0.303 0.000 0.639 120 A CB -0.541 18.561 19.000 0.170 0.000 0.820 120 A HN 0.269 nan 8.150 nan 0.000 0.451 121 D N -1.144 119.365 120.400 0.182 0.000 2.309 121 D HA -0.056 4.584 4.640 -0.000 0.000 0.212 121 D C 1.594 177.969 176.300 0.124 0.000 0.968 121 D CA 0.848 54.928 54.000 0.134 0.000 0.882 121 D CB -0.046 40.815 40.800 0.103 0.000 0.918 121 D HN 0.407 nan 8.370 nan 0.000 0.503 122 L N -1.195 120.104 121.223 0.126 0.000 2.286 122 L HA 0.162 4.502 4.340 -0.000 0.000 0.203 122 L C 1.673 178.570 176.870 0.044 0.000 1.068 122 L CA 0.906 55.765 54.840 0.032 0.000 0.811 122 L CB -0.463 41.543 42.059 -0.088 0.000 0.989 122 L HN -0.186 nan 8.230 nan 0.000 0.467 123 F N 0.749 120.791 119.950 0.152 0.000 2.134 123 F HA -0.194 4.331 4.527 -0.003 0.000 0.299 123 F C 2.252 178.162 175.800 0.184 0.000 1.097 123 F CA 1.660 59.768 58.000 0.181 0.000 1.264 123 F CB -0.624 38.525 39.000 0.248 0.000 1.001 123 F HN 0.177 nan 8.300 nan 0.000 0.479 124 D N 0.345 120.954 120.400 0.348 0.000 2.092 124 D HA -0.151 4.488 4.640 -0.000 0.000 0.193 124 D C -0.369 176.043 176.300 0.186 0.000 0.994 124 D CA 1.776 55.919 54.000 0.238 0.000 0.828 124 D CB -2.026 38.874 40.800 0.166 0.000 0.963 124 D HN 0.199 nan 8.370 nan 0.000 0.450 125 P HA -0.058 nan 4.420 nan 0.000 0.218 125 P C 1.849 179.218 177.300 0.116 0.000 1.149 125 P CA 0.710 63.876 63.100 0.109 0.000 0.817 125 P CB 0.128 31.876 31.700 0.080 0.000 0.785 126 V N 0.270 120.263 119.914 0.131 0.000 2.358 126 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 126 V C 2.689 178.886 176.094 0.172 0.000 1.047 126 V CA 1.456 63.829 62.300 0.121 0.000 1.035 126 V CB -1.004 30.876 31.823 0.095 0.000 0.658 126 V HN -0.017 nan 8.190 nan 0.000 0.452 127 I N -0.024 120.707 120.570 0.269 0.000 2.179 127 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 127 I C 2.573 178.877 176.117 0.311 0.000 1.088 127 I CA 2.015 63.526 61.300 0.351 0.000 1.357 127 I CB -0.433 37.791 38.000 0.374 0.000 1.051 127 I HN 0.275 nan 8.210 nan 0.000 0.409 128 K N 0.971 121.511 120.400 0.232 0.000 2.032 128 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 128 K C 2.219 178.898 176.600 0.132 0.000 1.048 128 K CA 1.749 58.144 56.287 0.181 0.000 0.927 128 K CB -0.226 32.340 32.500 0.111 0.000 0.712 128 K HN 0.103 nan 8.250 nan 0.000 0.441 129 L N 1.392 122.671 121.223 0.093 0.000 2.046 129 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 129 L C 2.425 179.299 176.870 0.007 0.000 1.077 129 L CA 1.739 56.608 54.840 0.048 0.000 0.747 129 L CB -0.622 41.460 42.059 0.038 0.000 0.896 129 L HN 0.155 nan 8.230 nan 0.000 0.432 130 R N -0.743 119.739 120.500 -0.032 0.000 2.075 130 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 130 R C 1.041 177.146 176.300 -0.324 0.000 1.126 130 R CA 1.566 57.538 56.100 -0.213 0.000 0.963 130 R CB -0.497 29.605 30.300 -0.330 0.000 0.858 130 R HN 0.526 nan 8.270 nan 0.000 0.435 131 H N 0.338 119.457 119.070 0.082 0.000 2.533 131 H HA 0.186 4.742 4.556 -0.001 0.000 0.281 131 H C -0.195 175.195 175.328 0.102 0.000 1.238 131 H CA -0.169 55.926 56.048 0.077 0.000 1.024 131 H CB -0.507 29.295 29.762 0.066 0.000 1.604 131 H HN 0.209 nan 8.280 nan 0.000 0.531 132 N N 1.123 119.893 118.700 0.118 0.000 2.727 132 N HA -0.236 4.503 4.740 -0.000 0.000 0.249 132 N C 1.209 176.787 175.510 0.113 0.000 1.048 132 N CA 1.274 54.380 53.050 0.094 0.000 0.714 132 N CB -1.119 37.418 38.487 0.084 0.000 0.959 132 N HN 0.855 nan 8.380 nan 0.000 0.544 133 G N -1.492 107.380 108.800 0.121 0.000 2.176 133 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.253 133 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.253 133 G C 0.020 174.989 174.900 0.116 0.000 0.979 133 G CA 0.212 45.371 45.100 0.097 0.000 0.641 133 G HN 0.794 nan 8.290 nan 0.000 0.530 134 Y N 2.259 122.610 120.300 0.084 0.000 2.605 134 Y HA 0.449 4.999 4.550 -0.001 0.000 0.336 134 Y C 0.004 175.943 175.900 0.066 0.000 1.111 134 Y CA -0.015 58.128 58.100 0.071 0.000 1.422 134 Y CB 0.715 39.219 38.460 0.073 0.000 1.193 134 Y HN 0.101 nan 8.280 nan 0.000 0.526 135 D N 9.555 129.664 120.400 -0.485 0.000 2.454 135 D HA 0.210 4.850 4.640 -0.000 0.000 0.225 135 D C -1.969 174.106 176.300 -0.374 0.000 1.081 135 D CA -2.378 51.460 54.000 -0.270 0.000 0.864 135 D CB 1.672 42.373 40.800 -0.166 0.000 1.040 135 D HN 0.367 nan 8.370 nan 0.000 0.517 136 P HA -0.041 nan 4.420 nan 0.000 0.230 136 P C 1.054 178.329 177.300 -0.041 0.000 1.158 136 P CA 0.414 63.501 63.100 -0.022 0.000 0.769 136 P CB 0.506 32.287 31.700 0.134 0.000 0.807 137 R N -0.525 119.953 120.500 -0.036 0.000 2.148 137 R HA 0.008 4.348 4.340 -0.000 0.000 0.227 137 R C 1.829 178.099 176.300 -0.051 0.000 1.103 137 R CA 1.026 57.112 56.100 -0.023 0.000 0.983 137 R CB -0.283 30.015 30.300 -0.003 0.000 0.874 137 R HN 0.160 nan 8.270 nan 0.000 0.451 138 V N -0.635 119.222 119.914 -0.096 0.000 3.090 138 V HA 0.120 4.240 4.120 -0.000 0.000 0.237 138 V C 0.733 176.751 176.094 -0.125 0.000 1.209 138 V CA 0.345 62.588 62.300 -0.096 0.000 1.209 138 V CB 0.136 31.903 31.823 -0.093 0.000 0.971 138 V HN 0.085 nan 8.190 nan 0.000 0.477 139 M N 1.109 120.567 119.600 -0.237 0.000 2.255 139 M HA 0.394 4.874 4.480 -0.000 0.000 0.336 139 M C -0.290 175.953 176.300 -0.095 0.000 1.135 139 M CA 0.364 55.509 55.300 -0.259 0.000 1.145 139 M CB 0.378 32.577 32.600 -0.670 0.000 1.473 139 M HN 0.134 nan 8.290 nan 0.000 0.462 140 K N 0.336 120.753 120.400 0.029 0.000 2.259 140 K HA 0.422 4.742 4.320 -0.000 0.000 0.249 140 K C -1.054 175.682 176.600 0.226 0.000 0.942 140 K CA -0.706 55.642 56.287 0.101 0.000 0.816 140 K CB 1.886 34.410 32.500 0.040 0.000 1.155 140 K HN 0.581 nan 8.250 nan 0.000 0.428 141 H N -0.111 119.016 119.070 0.096 0.000 2.463 141 H HA 0.335 4.891 4.556 -0.001 0.000 0.332 141 H C -1.121 174.249 175.328 0.070 0.000 1.127 141 H CA -0.144 55.936 56.048 0.054 0.000 1.238 141 H CB 1.485 31.182 29.762 -0.109 0.000 1.478 141 H HN 0.335 nan 8.280 nan 0.000 0.499 142 T N 4.635 118.765 114.554 -0.706 0.000 2.770 142 T HA 0.231 4.581 4.350 -0.000 0.000 0.283 142 T C -0.557 173.871 174.700 -0.453 0.000 0.988 142 T CA -0.658 61.222 62.100 -0.366 0.000 0.957 142 T CB 0.745 69.514 68.868 -0.166 0.000 0.930 142 T HN 0.669 nan 8.240 nan 0.000 0.443 143 T N 3.632 118.144 114.554 -0.070 0.000 2.806 143 T HA 0.371 4.720 4.350 -0.000 0.000 0.290 143 T C -0.424 174.332 174.700 0.093 0.000 0.966 143 T CA -0.428 61.739 62.100 0.112 0.000 1.060 143 T CB 0.579 69.581 68.868 0.223 0.000 0.927 143 T HN 0.464 nan 8.240 nan 0.000 0.485 144 D N 3.283 123.770 120.400 0.145 0.000 2.386 144 D HA 0.245 4.884 4.640 -0.000 0.000 0.247 144 D C -0.293 176.145 176.300 0.230 0.000 1.336 144 D CA -0.432 53.652 54.000 0.141 0.000 0.976 144 D CB 0.759 41.621 40.800 0.103 0.000 1.257 144 D HN 0.376 nan 8.370 nan 0.000 0.570 145 L N 2.438 123.775 121.223 0.190 0.000 3.062 145 L HA 0.239 4.579 4.340 -0.000 0.000 0.255 145 L C 0.328 177.236 176.870 0.064 0.000 1.274 145 L CA -0.237 54.711 54.840 0.179 0.000 1.047 145 L CB 0.433 42.575 42.059 0.139 0.000 1.402 145 L HN 0.191 nan 8.230 nan 0.000 0.550 146 D N 0.891 121.352 120.400 0.102 0.000 2.453 146 D HA 0.193 4.833 4.640 -0.000 0.000 0.223 146 D C 1.100 177.457 176.300 0.096 0.000 1.183 146 D CA -0.003 54.033 54.000 0.060 0.000 0.933 146 D CB 1.616 42.453 40.800 0.063 0.000 1.038 146 D HN 0.243 nan 8.370 nan 0.000 0.513 147 A N 2.746 125.556 122.820 -0.017 0.000 2.121 147 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 147 A C 2.116 179.760 177.584 0.100 0.000 1.154 147 A CA 1.352 53.399 52.037 0.016 0.000 0.679 147 A CB -0.369 18.492 19.000 -0.232 0.000 0.795 147 A HN 0.567 nan 8.150 nan 0.000 0.458 148 S N 0.124 115.855 115.700 0.052 0.000 2.442 148 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 148 S C 1.619 176.258 174.600 0.065 0.000 1.007 148 S CA 1.318 59.546 58.200 0.047 0.000 0.965 148 S CB -0.348 62.867 63.200 0.024 0.000 0.773 148 S HN 0.636 nan 8.310 nan 0.000 0.504 149 K N 0.464 120.919 120.400 0.091 0.000 2.283 149 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 149 K C 0.057 176.709 176.600 0.087 0.000 1.048 149 K CA 0.434 56.772 56.287 0.084 0.000 0.948 149 K CB -0.134 32.421 32.500 0.092 0.000 0.742 149 K HN 0.402 nan 8.250 nan 0.000 0.458 150 I N 2.928 123.576 120.570 0.129 0.000 2.278 150 I HA -0.027 4.142 4.170 -0.000 0.000 0.296 150 I C 1.395 177.552 176.117 0.067 0.000 1.121 150 I CA 0.523 61.883 61.300 0.100 0.000 1.267 150 I CB 0.272 38.371 38.000 0.165 0.000 1.447 150 I HN 0.152 nan 8.210 nan 0.000 0.509 151 T N 2.023 116.599 114.554 0.037 0.000 3.067 151 T HA 0.061 4.411 4.350 -0.000 0.000 0.257 151 T C 0.650 175.354 174.700 0.006 0.000 1.105 151 T CA 0.197 62.310 62.100 0.022 0.000 1.104 151 T CB 0.416 69.295 68.868 0.019 0.000 0.925 151 T HN 0.534 nan 8.240 nan 0.000 0.498 152 Q N -0.485 119.311 119.800 -0.006 0.000 2.284 152 Q HA 0.550 4.890 4.340 -0.000 0.000 0.269 152 Q C -1.349 174.604 176.000 -0.078 0.000 1.026 152 Q CA -0.619 55.165 55.803 -0.033 0.000 0.831 152 Q CB 1.815 30.541 28.738 -0.020 0.000 1.322 152 Q HN 0.370 nan 8.270 nan 0.000 0.419 153 G N 2.846 111.561 108.800 -0.142 0.000 4.193 153 G HA2 0.286 4.246 3.960 -0.000 0.000 0.265 153 G HA3 0.286 4.246 3.960 -0.000 0.000 0.265 153 G C -1.848 172.803 174.900 -0.414 0.000 3.257 153 G CA -0.366 44.548 45.100 -0.310 0.000 0.596 153 G HN 0.354 nan 8.290 nan 0.000 0.281 154 Q N 1.198 120.766 119.800 -0.386 0.000 2.303 154 Q HA 0.715 5.055 4.340 -0.000 0.000 0.267 154 Q C -1.140 174.732 176.000 -0.214 0.000 1.011 154 Q CA -0.693 54.940 55.803 -0.282 0.000 0.740 154 Q CB 0.866 29.540 28.738 -0.107 0.000 1.250 154 Q HN 0.190 nan 8.270 nan 0.000 0.458 155 F N 0.902 120.879 119.950 0.046 0.000 2.370 155 F HA 0.292 4.819 4.527 -0.001 0.000 0.319 155 F C 0.879 176.724 175.800 0.074 0.000 1.129 155 F CA -0.753 57.284 58.000 0.062 0.000 1.109 155 F CB 0.547 39.590 39.000 0.071 0.000 1.262 155 F HN 0.472 nan 8.300 nan 0.000 0.534 156 D N 1.327 121.934 120.400 0.346 0.000 2.346 156 D HA 0.009 4.649 4.640 -0.000 0.000 0.260 156 D C 0.546 176.999 176.300 0.256 0.000 1.252 156 D CA 0.246 54.419 54.000 0.287 0.000 0.895 156 D CB 0.385 41.425 40.800 0.402 0.000 1.097 156 D HN 0.586 nan 8.370 nan 0.000 0.489 157 E N 2.200 122.452 120.200 0.086 0.000 2.516 157 E HA -0.122 4.227 4.350 -0.000 0.000 0.199 157 E C 0.839 177.378 176.600 -0.101 0.000 1.069 157 E CA 0.264 56.670 56.400 0.010 0.000 0.876 157 E CB 0.043 29.718 29.700 -0.043 0.000 0.843 157 E HN 0.663 nan 8.360 nan 0.000 0.530 158 H N -1.224 117.830 119.070 -0.028 0.000 2.491 158 H HA -0.110 4.446 4.556 -0.000 0.000 0.290 158 H C 0.829 175.882 175.328 -0.458 0.000 1.050 158 H CA 1.369 57.248 56.048 -0.280 0.000 1.309 158 H CB 0.165 29.658 29.762 -0.448 0.000 1.392 158 H HN 0.247 nan 8.280 nan 0.000 0.554 159 Y N -1.356 119.024 120.300 0.134 0.000 2.594 159 Y HA 0.179 4.729 4.550 -0.000 0.000 0.283 159 Y C 0.725 176.662 175.900 0.060 0.000 1.140 159 Y CA -0.242 57.908 58.100 0.083 0.000 1.261 159 Y CB 0.575 39.073 38.460 0.063 0.000 1.358 159 Y HN -0.191 nan 8.280 nan 0.000 0.513 160 V N 3.384 123.433 119.914 0.225 0.000 2.427 160 V HA 0.028 4.147 4.120 -0.000 0.000 0.268 160 V C 0.688 176.858 176.094 0.127 0.000 1.046 160 V CA 0.223 62.613 62.300 0.150 0.000 0.970 160 V CB 0.800 32.718 31.823 0.158 0.000 1.001 160 V HN 0.370 nan 8.190 nan 0.000 0.476 161 L N 3.745 125.038 121.223 0.117 0.000 2.416 161 L HA 0.229 4.569 4.340 -0.000 0.000 0.216 161 L C 0.798 177.699 176.870 0.052 0.000 1.098 161 L CA 0.460 55.349 54.840 0.082 0.000 0.840 161 L CB 0.251 42.370 42.059 0.100 0.000 0.981 161 L HN 0.823 nan 8.230 nan 0.000 0.462 162 S N -2.001 113.738 115.700 0.065 0.000 2.552 162 S HA 0.578 5.047 4.470 -0.000 0.000 0.272 162 S C -0.795 173.833 174.600 0.046 0.000 1.150 162 S CA -0.753 57.447 58.200 -0.001 0.000 0.849 162 S CB 2.191 65.299 63.200 -0.152 0.000 1.113 162 S HN -0.075 nan 8.310 nan 0.000 0.458 163 S N 0.818 116.552 115.700 0.057 0.000 2.526 163 S HA 0.837 5.307 4.470 -0.000 0.000 0.293 163 S C -0.832 173.802 174.600 0.057 0.000 1.092 163 S CA -0.847 57.418 58.200 0.109 0.000 0.980 163 S CB 1.673 64.982 63.200 0.182 0.000 1.048 163 S HN 0.826 nan 8.310 nan 0.000 0.483 164 R N 1.702 122.231 120.500 0.049 0.000 2.566 164 R HA 0.649 4.988 4.340 -0.000 0.000 0.271 164 R C -2.319 173.981 176.300 -0.001 0.000 1.071 164 R CA -0.437 55.676 56.100 0.022 0.000 0.915 164 R CB 1.311 31.599 30.300 -0.020 0.000 1.228 164 R HN 0.493 nan 8.270 nan 0.000 0.449 165 V N 4.432 124.339 119.914 -0.011 0.000 2.483 165 V HA 0.568 4.688 4.120 -0.000 0.000 0.297 165 V C -0.883 175.171 176.094 -0.066 0.000 1.027 165 V CA -0.831 61.380 62.300 -0.149 0.000 0.855 165 V CB 1.590 33.180 31.823 -0.388 0.000 0.995 165 V HN 0.867 nan 8.190 nan 0.000 0.424 166 R N 2.304 122.768 120.500 -0.060 0.000 2.807 166 R HA 0.932 5.272 4.340 -0.000 0.000 0.276 166 R C -0.581 175.796 176.300 0.128 0.000 0.979 166 R CA -0.410 55.729 56.100 0.066 0.000 0.928 166 R CB 1.964 32.228 30.300 -0.060 0.000 1.191 166 R HN 0.588 nan 8.270 nan 0.000 0.471 167 T N -0.762 113.920 114.554 0.212 0.000 2.654 167 T HA 0.835 5.185 4.350 -0.000 0.000 0.289 167 T C -1.164 173.517 174.700 -0.032 0.000 1.062 167 T CA -0.449 61.723 62.100 0.120 0.000 1.041 167 T CB 1.390 70.405 68.868 0.245 0.000 1.417 167 T HN 0.930 nan 8.240 nan 0.000 0.510 168 G N 0.947 109.686 108.800 -0.102 0.000 2.612 168 G HA2 0.719 4.679 3.960 -0.000 0.000 0.298 168 G HA3 0.719 4.679 3.960 -0.000 0.000 0.298 168 G C -1.695 173.027 174.900 -0.298 0.000 1.336 168 G CA -0.613 44.394 45.100 -0.155 0.000 0.953 168 G HN 0.584 nan 8.290 nan 0.000 0.482 169 R N -0.018 120.277 120.500 -0.343 0.000 2.725 169 R HA 0.709 5.048 4.340 -0.000 0.000 0.277 169 R C -1.019 175.170 176.300 -0.186 0.000 0.987 169 R CA -0.748 55.037 56.100 -0.525 0.000 0.901 169 R CB 2.116 31.705 30.300 -1.185 0.000 1.207 169 R HN 0.513 nan 8.270 nan 0.000 0.463 170 S N 1.937 117.610 115.700 -0.046 0.000 2.503 170 S HA 0.533 5.003 4.470 -0.000 0.000 0.301 170 S C 0.027 174.877 174.600 0.417 0.000 1.087 170 S CA -0.781 57.505 58.200 0.143 0.000 1.042 170 S CB 1.389 64.553 63.200 -0.060 0.000 1.043 170 S HN 0.304 nan 8.310 nan 0.000 0.489 171 I N 2.792 123.741 120.570 0.633 0.000 2.337 171 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 171 I C 0.857 177.221 176.117 0.412 0.000 1.046 171 I CA -0.290 61.248 61.300 0.397 0.000 1.324 171 I CB 0.218 38.234 38.000 0.027 0.000 1.409 171 I HN 0.644 nan 8.210 nan 0.000 0.494 172 R N 4.317 125.055 120.500 0.396 0.000 2.570 172 R HA 0.313 4.652 4.340 -0.000 0.000 0.277 172 R C 1.053 177.563 176.300 0.350 0.000 1.039 172 R CA 1.204 57.500 56.100 0.327 0.000 1.065 172 R CB 0.319 30.778 30.300 0.265 0.000 0.964 172 R HN 0.948 nan 8.270 nan 0.000 0.428 173 G N 3.045 112.002 108.800 0.261 0.000 2.195 173 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 173 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 173 G C -0.301 174.739 174.900 0.234 0.000 0.990 173 G CA -0.056 45.179 45.100 0.224 0.000 0.639 173 G HN 0.479 nan 8.290 nan 0.000 0.514 174 L N 1.645 123.020 121.223 0.254 0.000 2.365 174 L HA 0.638 4.977 4.340 -0.000 0.000 0.273 174 L C 0.545 177.565 176.870 0.250 0.000 1.000 174 L CA -0.947 54.009 54.840 0.194 0.000 0.819 174 L CB 2.125 44.212 42.059 0.046 0.000 1.284 174 L HN 0.109 nan 8.230 nan 0.000 0.418 175 S N 2.225 118.034 115.700 0.181 0.000 2.584 175 S HA 0.422 4.892 4.470 -0.000 0.000 0.270 175 S C 0.058 174.788 174.600 0.217 0.000 1.346 175 S CA -0.549 57.734 58.200 0.137 0.000 1.018 175 S CB 0.626 63.870 63.200 0.074 0.000 0.899 175 S HN 0.300 nan 8.310 nan 0.000 0.542 176 L N 2.132 123.370 121.223 0.025 0.000 2.456 176 L HA 0.248 4.587 4.340 -0.000 0.000 0.257 176 L C -1.433 175.438 176.870 0.001 0.000 1.162 176 L CA -2.052 52.743 54.840 -0.076 0.000 0.808 176 L CB 0.061 42.020 42.059 -0.166 0.000 1.136 176 L HN 0.396 nan 8.230 nan 0.000 0.466 177 P HA -0.156 nan 4.420 nan 0.000 0.218 177 P C -1.580 175.757 177.300 0.062 0.000 1.152 177 P CA 1.573 64.716 63.100 0.071 0.000 0.857 177 P CB -0.742 31.001 31.700 0.072 0.000 0.787 178 P HA -0.050 nan 4.420 nan 0.000 0.221 178 P C 0.915 178.275 177.300 0.100 0.000 1.150 178 P CA 1.785 64.924 63.100 0.065 0.000 0.800 178 P CB -0.320 31.410 31.700 0.051 0.000 0.787 179 A N -1.686 121.137 122.820 0.006 0.000 2.390 179 A HA 0.150 4.470 4.320 -0.000 0.000 0.225 179 A C 0.860 178.496 177.584 0.086 0.000 1.232 179 A CA -0.071 52.010 52.037 0.073 0.000 0.964 179 A CB -0.839 18.091 19.000 -0.117 0.000 1.064 179 A HN 0.326 nan 8.150 nan 0.000 0.525 180 C N 1.913 121.259 119.300 0.076 0.000 2.662 180 C HA 0.552 5.011 4.460 -0.000 0.000 0.420 180 C C 1.213 176.253 174.990 0.083 0.000 1.314 180 C CA -0.088 58.983 59.018 0.088 0.000 1.963 180 C CB -0.828 26.975 27.740 0.105 0.000 2.686 180 C HN 0.613 nan 8.230 nan 0.000 0.609 181 T N 1.024 115.623 114.554 0.074 0.000 2.754 181 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 181 T C 1.132 175.862 174.700 0.049 0.000 0.997 181 T CA -0.352 61.787 62.100 0.065 0.000 0.982 181 T CB 0.485 69.389 68.868 0.060 0.000 1.027 181 T HN 0.786 nan 8.240 nan 0.000 0.529 182 R N 0.070 120.596 120.500 0.043 0.000 2.096 182 R HA -0.034 4.305 4.340 -0.000 0.000 0.235 182 R C 2.764 179.073 176.300 0.015 0.000 1.127 182 R CA 1.301 57.418 56.100 0.028 0.000 0.968 182 R CB -0.871 29.445 30.300 0.028 0.000 0.861 182 R HN 0.812 nan 8.270 nan 0.000 0.440 183 A N 1.142 123.974 122.820 0.021 0.000 1.898 183 A HA -0.177 4.142 4.320 -0.000 0.000 0.216 183 A C 1.880 179.468 177.584 0.006 0.000 1.181 183 A CA 1.263 53.309 52.037 0.014 0.000 0.620 183 A CB -0.283 18.733 19.000 0.025 0.000 0.819 183 A HN 0.299 nan 8.150 nan 0.000 0.442 184 E N -0.795 119.415 120.200 0.017 0.000 2.051 184 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 184 E C 2.347 178.918 176.600 -0.048 0.000 0.991 184 E CA 1.174 57.576 56.400 0.004 0.000 0.799 184 E CB -0.167 29.557 29.700 0.039 0.000 0.748 184 E HN 0.561 nan 8.360 nan 0.000 0.449 185 R N 0.947 121.432 120.500 -0.024 0.000 2.073 185 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 185 R C 2.310 178.565 176.300 -0.075 0.000 1.134 185 R CA 1.297 57.371 56.100 -0.042 0.000 0.952 185 R CB 0.017 30.317 30.300 0.001 0.000 0.850 185 R HN 0.012 nan 8.270 nan 0.000 0.433 186 R N -0.005 120.463 120.500 -0.054 0.000 2.105 186 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 186 R C 2.218 178.455 176.300 -0.105 0.000 1.135 186 R CA 1.840 57.901 56.100 -0.064 0.000 0.967 186 R CB -0.215 30.062 30.300 -0.039 0.000 0.861 186 R HN 0.230 nan 8.270 nan 0.000 0.442 187 E N 0.362 120.497 120.200 -0.109 0.000 2.072 187 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 187 E C 1.790 178.205 176.600 -0.308 0.000 0.985 187 E CA 1.091 57.397 56.400 -0.157 0.000 0.801 187 E CB -0.041 29.608 29.700 -0.085 0.000 0.750 187 E HN 0.046 nan 8.360 nan 0.000 0.452 188 V N 1.158 120.875 119.914 -0.328 0.000 2.287 188 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 188 V C 2.469 178.376 176.094 -0.311 0.000 1.053 188 V CA 2.348 64.393 62.300 -0.424 0.000 1.027 188 V CB -0.635 30.905 31.823 -0.471 0.000 0.646 188 V HN 0.437 nan 8.190 nan 0.000 0.447 189 E N 0.381 120.455 120.200 -0.209 0.000 2.058 189 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 189 E C 2.089 178.526 176.600 -0.273 0.000 0.997 189 E CA 1.855 58.150 56.400 -0.175 0.000 0.801 189 E CB -0.209 29.431 29.700 -0.100 0.000 0.746 189 E HN 0.652 nan 8.360 nan 0.000 0.450 190 N N -0.090 118.460 118.700 -0.251 0.000 2.069 190 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 190 N C 1.818 177.157 175.510 -0.285 0.000 1.031 190 N CA 1.887 54.792 53.050 -0.241 0.000 0.852 190 N CB -0.207 38.178 38.487 -0.170 0.000 1.018 190 N HN 0.040 nan 8.380 nan 0.000 0.423 191 V N 0.545 120.223 119.914 -0.395 0.000 2.332 191 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 191 V C 2.331 178.202 176.094 -0.372 0.000 1.055 191 V CA 1.927 63.916 62.300 -0.518 0.000 1.038 191 V CB -1.173 30.029 31.823 -1.035 0.000 0.651 191 V HN 0.519 nan 8.190 nan 0.000 0.450 192 A N -0.125 122.498 122.820 -0.328 0.000 1.854 192 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 192 A C 2.181 179.592 177.584 -0.287 0.000 1.192 192 A CA 1.702 53.586 52.037 -0.256 0.000 0.611 192 A CB -0.506 18.399 19.000 -0.159 0.000 0.832 192 A HN 0.452 nan 8.150 nan 0.000 0.442 193 I N -0.101 120.252 120.570 -0.362 0.000 2.118 193 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 193 I C 2.624 178.589 176.117 -0.253 0.000 1.070 193 I CA 1.979 63.039 61.300 -0.400 0.000 1.327 193 I CB -0.831 36.864 38.000 -0.509 0.000 1.034 193 I HN 0.287 nan 8.210 nan 0.000 0.405 194 T N 0.740 115.162 114.554 -0.220 0.000 2.720 194 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 194 T C 1.994 176.608 174.700 -0.143 0.000 1.037 194 T CA 1.543 63.554 62.100 -0.149 0.000 1.144 194 T CB -0.349 68.447 68.868 -0.120 0.000 0.864 194 T HN 0.510 nan 8.240 nan 0.000 0.444 195 A N 1.127 123.838 122.820 -0.181 0.000 1.897 195 A HA 0.111 4.430 4.320 -0.000 0.000 0.215 195 A C 2.300 179.756 177.584 -0.213 0.000 1.181 195 A CA 0.969 52.902 52.037 -0.172 0.000 0.620 195 A CB -0.758 18.133 19.000 -0.182 0.000 0.821 195 A HN 0.468 nan 8.150 nan 0.000 0.443 196 L N -0.537 120.495 121.223 -0.319 0.000 2.131 196 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 196 L C 2.397 179.137 176.870 -0.218 0.000 1.092 196 L CA 1.332 55.870 54.840 -0.502 0.000 0.759 196 L CB -0.611 40.868 42.059 -0.966 0.000 0.903 196 L HN 0.468 nan 8.230 nan 0.000 0.435 197 E N 0.136 120.272 120.200 -0.108 0.000 2.265 197 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 197 E C 2.076 178.681 176.600 0.008 0.000 0.996 197 E CA 0.899 57.300 56.400 0.001 0.000 0.832 197 E CB -0.175 29.517 29.700 -0.014 0.000 0.756 197 E HN 0.556 nan 8.360 nan 0.000 0.491 198 G N 0.561 109.339 108.800 -0.036 0.000 2.920 198 G HA2 0.024 3.984 3.960 -0.000 0.000 0.208 198 G HA3 0.024 3.984 3.960 -0.000 0.000 0.208 198 G C 0.548 175.443 174.900 -0.009 0.000 1.159 198 G CA -0.241 44.846 45.100 -0.022 0.000 0.784 198 G HN 0.012 nan 8.290 nan 0.000 0.535 199 L N 0.586 121.809 121.223 -0.000 0.000 2.416 199 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 199 L C 0.337 177.262 176.870 0.092 0.000 1.161 199 L CA 0.110 54.971 54.840 0.036 0.000 0.845 199 L CB 1.046 43.144 42.059 0.065 0.000 1.119 199 L HN 0.015 nan 8.230 nan 0.000 0.464 200 K N 0.953 121.395 120.400 0.070 0.000 2.395 200 K HA 0.712 5.032 4.320 -0.000 0.000 0.245 200 K C 0.404 177.053 176.600 0.082 0.000 1.017 200 K CA -0.155 56.179 56.287 0.078 0.000 0.852 200 K CB 1.827 34.353 32.500 0.044 0.000 1.311 200 K HN 0.690 nan 8.250 nan 0.000 0.452 201 G N 1.562 110.414 108.800 0.086 0.000 2.583 201 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.292 201 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.292 201 G C 0.412 175.378 174.900 0.111 0.000 1.203 201 G CA 0.916 46.063 45.100 0.079 0.000 0.987 201 G HN 0.874 nan 8.290 nan 0.000 0.554 202 D N 0.704 121.152 120.400 0.080 0.000 2.350 202 D HA 0.103 4.743 4.640 -0.000 0.000 0.216 202 D C 2.193 178.555 176.300 0.104 0.000 0.968 202 D CA 1.287 55.341 54.000 0.091 0.000 0.894 202 D CB -0.123 40.708 40.800 0.051 0.000 0.909 202 D HN 0.483 nan 8.370 nan 0.000 0.520 203 L N -0.343 120.941 121.223 0.102 0.000 2.585 203 L HA 0.344 4.684 4.340 -0.000 0.000 0.226 203 L C 1.115 178.185 176.870 0.334 0.000 1.113 203 L CA -0.339 54.610 54.840 0.181 0.000 0.876 203 L CB -0.169 41.925 42.059 0.060 0.000 1.072 203 L HN 0.031 nan 8.230 nan 0.000 0.468 204 A N 0.393 123.356 122.820 0.239 0.000 2.462 204 A HA 0.547 4.867 4.320 -0.000 0.000 0.243 204 A C 0.536 178.069 177.584 -0.086 0.000 1.076 204 A CA 0.704 52.889 52.037 0.246 0.000 0.773 204 A CB 0.164 19.349 19.000 0.308 0.000 1.010 204 A HN 0.301 nan 8.150 nan 0.000 0.493 205 G N 0.786 109.430 108.800 -0.261 0.000 2.634 205 G HA2 0.630 4.590 3.960 -0.000 0.000 0.309 205 G HA3 0.630 4.590 3.960 -0.000 0.000 0.309 205 G C -0.969 173.448 174.900 -0.805 0.000 1.299 205 G CA -0.504 43.854 45.100 -1.237 0.000 0.798 205 G HN 1.182 nan 8.290 nan 0.000 0.490 206 R N -1.515 118.377 120.500 -1.013 0.000 2.807 206 R HA 0.704 5.044 4.340 -0.000 0.000 0.276 206 R C -1.716 174.345 176.300 -0.398 0.000 0.979 206 R CA -0.951 54.861 56.100 -0.480 0.000 0.928 206 R CB 2.045 32.093 30.300 -0.420 0.000 1.191 206 R HN 0.523 nan 8.270 nan 0.000 0.471 207 Y N 2.017 122.254 120.300 -0.105 0.000 2.320 207 Y HA 0.366 4.916 4.550 -0.000 0.000 0.334 207 Y C -1.373 174.438 175.900 -0.148 0.000 1.055 207 Y CA -0.575 57.572 58.100 0.079 0.000 1.143 207 Y CB 1.071 39.641 38.460 0.183 0.000 1.193 207 Y HN 0.549 nan 8.280 nan 0.000 0.477 208 Y N 4.934 125.029 120.300 -0.341 0.000 2.328 208 Y HA 0.384 4.933 4.550 -0.001 0.000 0.337 208 Y C -0.221 175.454 175.900 -0.375 0.000 0.966 208 Y CA -1.089 56.880 58.100 -0.218 0.000 1.136 208 Y CB 1.213 39.579 38.460 -0.156 0.000 1.170 208 Y HN 0.384 nan 8.280 nan 0.000 0.470 209 K N 3.501 123.937 120.400 0.061 0.000 2.276 209 K HA 0.129 4.448 4.320 -0.000 0.000 0.283 209 K C 0.365 176.960 176.600 -0.009 0.000 1.044 209 K CA -0.393 55.945 56.287 0.084 0.000 0.944 209 K CB 1.170 33.774 32.500 0.172 0.000 1.012 209 K HN 0.607 nan 8.250 nan 0.000 0.472 210 L N 2.447 123.611 121.223 -0.098 0.000 2.127 210 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 210 L C 2.333 179.156 176.870 -0.078 0.000 1.089 210 L CA 1.813 56.567 54.840 -0.145 0.000 0.757 210 L CB -0.601 41.304 42.059 -0.256 0.000 0.899 210 L HN 0.771 nan 8.230 nan 0.000 0.434 211 S N -1.945 113.718 115.700 -0.061 0.000 2.453 211 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 211 S C 1.524 176.124 174.600 0.001 0.000 1.005 211 S CA 0.628 58.810 58.200 -0.030 0.000 0.949 211 S CB -0.174 63.008 63.200 -0.031 0.000 0.774 211 S HN 0.401 nan 8.310 nan 0.000 0.510 212 E N 0.416 120.626 120.200 0.018 0.000 2.481 212 E HA 0.322 4.672 4.350 -0.000 0.000 0.198 212 E C 0.036 176.663 176.600 0.045 0.000 1.027 212 E CA -0.137 56.283 56.400 0.034 0.000 0.900 212 E CB 0.100 29.829 29.700 0.049 0.000 0.993 212 E HN 0.594 nan 8.360 nan 0.000 0.482 213 M N 2.169 121.790 119.600 0.035 0.000 2.188 213 M HA 0.033 4.513 4.480 -0.000 0.000 0.354 213 M C 0.483 176.798 176.300 0.025 0.000 1.342 213 M CA -0.002 55.325 55.300 0.045 0.000 1.117 213 M CB 0.607 33.204 32.600 -0.006 0.000 1.670 213 M HN -0.058 nan 8.290 nan 0.000 0.466 214 T N 0.215 114.793 114.554 0.040 0.000 2.788 214 T HA 0.107 4.457 4.350 -0.000 0.000 0.287 214 T C 0.905 175.605 174.700 0.000 0.000 1.007 214 T CA -0.388 61.725 62.100 0.022 0.000 1.005 214 T CB 0.928 69.815 68.868 0.032 0.000 1.012 214 T HN 0.855 nan 8.240 nan 0.000 0.530 215 E N -0.012 120.185 120.200 -0.005 0.000 2.085 215 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 215 E C 2.067 178.651 176.600 -0.026 0.000 0.994 215 E CA 1.348 57.737 56.400 -0.018 0.000 0.801 215 E CB -0.122 29.570 29.700 -0.013 0.000 0.743 215 E HN 0.828 nan 8.360 nan 0.000 0.453 216 Q N 0.212 120.005 119.800 -0.012 0.000 2.046 216 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 216 Q C 1.669 177.654 176.000 -0.024 0.000 0.975 216 Q CA 1.877 57.673 55.803 -0.013 0.000 0.836 216 Q CB 0.003 28.745 28.738 0.006 0.000 0.896 216 Q HN 0.265 nan 8.270 nan 0.000 0.428 217 D N 0.308 120.706 120.400 -0.004 0.000 2.133 217 D HA -0.247 4.393 4.640 -0.000 0.000 0.192 217 D C 1.762 177.972 176.300 -0.150 0.000 1.001 217 D CA 1.477 55.455 54.000 -0.037 0.000 0.844 217 D CB -0.260 40.567 40.800 0.046 0.000 0.944 217 D HN 0.417 nan 8.370 nan 0.000 0.447 218 Q N -0.090 119.641 119.800 -0.114 0.000 2.079 218 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 218 Q C 2.383 178.306 176.000 -0.128 0.000 0.974 218 Q CA 2.000 57.720 55.803 -0.138 0.000 0.840 218 Q CB -0.089 28.589 28.738 -0.101 0.000 0.898 218 Q HN 0.374 nan 8.270 nan 0.000 0.430 219 Q N 0.907 120.648 119.800 -0.097 0.000 2.124 219 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 219 Q C 1.840 177.772 176.000 -0.113 0.000 0.977 219 Q CA 1.683 57.430 55.803 -0.094 0.000 0.850 219 Q CB -0.577 28.121 28.738 -0.067 0.000 0.901 219 Q HN 0.457 nan 8.270 nan 0.000 0.429 220 R N -0.351 120.083 120.500 -0.110 0.000 2.092 220 R HA 0.078 4.418 4.340 -0.000 0.000 0.231 220 R C 2.461 178.652 176.300 -0.181 0.000 1.119 220 R CA 1.353 57.381 56.100 -0.119 0.000 0.970 220 R CB -0.332 29.925 30.300 -0.072 0.000 0.864 220 R HN 0.506 nan 8.270 nan 0.000 0.440 221 L N 0.170 121.273 121.223 -0.200 0.000 2.141 221 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 221 L C 2.213 178.986 176.870 -0.162 0.000 1.094 221 L CA 0.976 55.705 54.840 -0.184 0.000 0.763 221 L CB -0.287 41.667 42.059 -0.176 0.000 0.908 221 L HN 0.161 nan 8.230 nan 0.000 0.437 222 I N -0.089 120.382 120.570 -0.165 0.000 2.179 222 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 222 I C 2.145 178.079 176.117 -0.304 0.000 1.088 222 I CA 1.286 62.475 61.300 -0.185 0.000 1.357 222 I CB -0.391 37.518 38.000 -0.152 0.000 1.051 222 I HN 0.267 nan 8.210 nan 0.000 0.409 223 D N 0.922 121.165 120.400 -0.262 0.000 2.116 223 D HA -0.204 4.435 4.640 -0.000 0.000 0.193 223 D C 1.670 177.790 176.300 -0.300 0.000 0.998 223 D CA 1.428 55.267 54.000 -0.267 0.000 0.836 223 D CB -0.471 40.225 40.800 -0.173 0.000 0.951 223 D HN 0.351 nan 8.370 nan 0.000 0.449 224 D N -0.519 119.658 120.400 -0.371 0.000 2.348 224 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 224 D C 0.108 176.150 176.300 -0.430 0.000 0.970 224 D CA 0.501 54.128 54.000 -0.621 0.000 0.889 224 D CB -0.109 39.934 40.800 -1.263 0.000 0.912 224 D HN 0.369 nan 8.370 nan 0.000 0.524 225 H N -2.705 116.192 119.070 -0.289 0.000 2.941 225 H HA -0.161 4.395 4.556 -0.000 0.000 0.279 225 H C 0.603 176.115 175.328 0.307 0.000 1.247 225 H CA 0.421 56.465 56.048 -0.006 0.000 1.129 225 H CB -2.412 27.355 29.762 0.008 0.000 1.313 225 H HN 0.321 nan 8.280 nan 0.000 0.384 226 F N -0.967 119.071 119.950 0.147 0.000 2.717 226 F HA 0.165 4.692 4.527 0.000 0.000 0.297 226 F C 1.205 177.181 175.800 0.294 0.000 1.113 226 F CA -0.701 57.445 58.000 0.243 0.000 1.319 226 F CB 0.577 39.602 39.000 0.042 0.000 1.097 226 F HN 0.025 nan 8.300 nan 0.000 0.595 227 L N 1.986 123.349 121.223 0.233 0.000 2.380 227 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 227 L C -0.402 176.406 176.870 -0.104 0.000 1.138 227 L CA -0.359 54.449 54.840 -0.052 0.000 0.832 227 L CB 0.200 42.184 42.059 -0.125 0.000 1.124 227 L HN 0.021 nan 8.230 nan 0.000 0.454 228 F N 1.384 121.098 119.950 -0.393 0.000 2.522 228 F HA 0.874 5.401 4.527 0.000 0.000 0.324 228 F C 0.005 175.683 175.800 -0.203 0.000 1.077 228 F CA -0.503 57.181 58.000 -0.527 0.000 0.944 228 F CB 0.207 38.506 39.000 -1.168 0.000 1.175 228 F HN 0.552 nan 8.300 nan 0.000 0.468 229 D N 1.450 121.877 120.400 0.045 0.000 2.449 229 D HA 0.420 5.060 4.640 -0.000 0.000 0.250 229 D C -0.811 175.445 176.300 -0.073 0.000 1.050 229 D CA -1.283 52.723 54.000 0.011 0.000 1.024 229 D CB 1.079 41.837 40.800 -0.069 0.000 1.218 229 D HN 0.963 nan 8.370 nan 0.000 0.566 230 K N 0.490 120.655 120.400 -0.391 0.000 2.491 230 K HA 0.189 4.509 4.320 -0.000 0.000 0.279 230 K C -2.187 173.976 176.600 -0.727 0.000 1.026 230 K CA -0.581 54.966 56.287 -1.233 0.000 1.070 230 K CB 0.165 32.060 32.500 -1.008 0.000 0.887 230 K HN 0.168 nan 8.250 nan 0.000 0.481 231 P HA -0.103 nan 4.420 nan 0.000 0.263 231 P C 0.113 177.244 177.300 -0.282 0.000 1.195 231 P CA -0.071 62.807 63.100 -0.370 0.000 0.762 231 P CB 0.687 32.215 31.700 -0.287 0.000 0.799 232 V N 0.183 119.988 119.914 -0.181 0.000 3.604 232 V HA 0.158 4.277 4.120 -0.000 0.000 0.277 232 V C 0.842 176.883 176.094 -0.087 0.000 1.399 232 V CA 0.099 62.321 62.300 -0.131 0.000 1.034 232 V CB -0.099 31.657 31.823 -0.111 0.000 0.824 232 V HN 0.455 nan 8.190 nan 0.000 0.439 233 S N 3.349 119.003 115.700 -0.076 0.000 2.515 233 S HA 0.227 4.697 4.470 -0.000 0.000 0.285 233 S C -0.538 174.033 174.600 -0.048 0.000 1.265 233 S CA -0.472 57.697 58.200 -0.051 0.000 1.079 233 S CB 1.009 64.188 63.200 -0.035 0.000 0.877 233 S HN 0.459 nan 8.310 nan 0.000 0.493 234 P HA -0.120 nan 4.420 nan 0.000 0.219 234 P C 1.433 178.716 177.300 -0.028 0.000 1.146 234 P CA 0.687 63.764 63.100 -0.037 0.000 0.808 234 P CB 0.023 31.699 31.700 -0.039 0.000 0.779 235 L N -1.157 120.051 121.223 -0.025 0.000 2.081 235 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 235 L C 2.710 179.580 176.870 -0.001 0.000 1.080 235 L CA 1.795 56.628 54.840 -0.012 0.000 0.754 235 L CB -1.579 40.475 42.059 -0.008 0.000 0.893 235 L HN -0.061 nan 8.230 nan 0.000 0.433 236 L N -1.886 119.332 121.223 -0.009 0.000 2.145 236 L HA -0.081 4.259 4.340 -0.000 0.000 0.201 236 L C 2.559 179.430 176.870 0.000 0.000 1.075 236 L CA 1.315 56.154 54.840 -0.002 0.000 0.773 236 L CB -1.066 40.980 42.059 -0.022 0.000 0.936 236 L HN 0.373 nan 8.230 nan 0.000 0.451 237 T N -3.084 111.457 114.554 -0.021 0.000 2.788 237 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 237 T C 1.869 176.572 174.700 0.005 0.000 1.044 237 T CA 1.233 63.323 62.100 -0.016 0.000 1.139 237 T CB -0.939 67.905 68.868 -0.040 0.000 0.867 237 T HN 0.327 nan 8.240 nan 0.000 0.454 238 C N 1.757 121.057 119.300 0.000 0.000 2.456 238 C HA 0.502 4.961 4.460 -0.000 0.000 0.279 238 C C 3.081 178.085 174.990 0.023 0.000 1.427 238 C CA 0.000 59.021 59.018 0.005 0.000 1.778 238 C CB -1.596 26.139 27.740 -0.008 0.000 1.842 238 C HN 0.749 nan 8.230 nan 0.000 0.531 239 A N -0.235 122.607 122.820 0.036 0.000 2.278 239 A HA 0.454 4.773 4.320 -0.000 0.000 0.212 239 A C 1.714 179.354 177.584 0.093 0.000 1.213 239 A CA 0.987 53.065 52.037 0.068 0.000 0.840 239 A CB -0.704 18.336 19.000 0.067 0.000 0.866 239 A HN 1.115 nan 8.150 nan 0.000 0.489 240 G N -1.013 107.833 108.800 0.077 0.000 2.147 240 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 240 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 240 G C 0.598 175.560 174.900 0.103 0.000 1.005 240 G CA 0.574 45.730 45.100 0.094 0.000 0.713 240 G HN 0.431 nan 8.290 nan 0.000 0.515 241 M N -0.292 119.362 119.600 0.090 0.000 2.495 241 M HA 0.373 4.853 4.480 -0.000 0.000 0.237 241 M C 2.008 178.409 176.300 0.169 0.000 1.131 241 M CA 0.993 56.362 55.300 0.116 0.000 1.032 241 M CB 0.554 33.205 32.600 0.085 0.000 1.513 241 M HN 0.497 nan 8.290 nan 0.000 0.488 242 A N 0.299 123.198 122.820 0.131 0.000 2.503 242 A HA 0.279 4.599 4.320 -0.000 0.000 0.263 242 A C 0.488 178.225 177.584 0.255 0.000 1.258 242 A CA -0.421 51.718 52.037 0.169 0.000 0.936 242 A CB 0.064 19.033 19.000 -0.051 0.000 1.070 242 A HN 0.291 nan 8.150 nan 0.000 0.522 243 R N 1.471 122.094 120.500 0.204 0.000 2.623 243 R HA 0.167 4.506 4.340 -0.000 0.000 0.271 243 R C -0.299 176.120 176.300 0.199 0.000 1.043 243 R CA 0.507 56.709 56.100 0.170 0.000 1.083 243 R CB 0.065 30.442 30.300 0.129 0.000 0.974 243 R HN 0.360 nan 8.270 nan 0.000 0.436 244 D N -0.044 120.451 120.400 0.160 0.000 2.983 244 D HA -0.259 4.381 4.640 -0.000 0.000 0.225 244 D C -0.518 175.874 176.300 0.152 0.000 1.174 244 D CA 0.907 54.984 54.000 0.127 0.000 0.831 244 D CB -0.797 40.050 40.800 0.079 0.000 1.104 244 D HN 0.548 nan 8.370 nan 0.000 0.421 245 W N 2.047 123.371 121.300 0.041 0.000 2.181 245 W HA 0.146 4.805 4.660 -0.001 0.000 0.335 245 W C -1.494 175.047 176.519 0.036 0.000 1.310 245 W CA -0.839 56.533 57.345 0.046 0.000 1.226 245 W CB 0.463 29.948 29.460 0.042 0.000 1.155 245 W HN -0.044 nan 8.180 nan 0.000 0.565 246 P HA 0.003 nan 4.420 nan 0.000 0.254 246 P C -0.120 176.899 177.300 -0.468 0.000 1.494 246 P CA 0.098 62.693 63.100 -0.842 0.000 0.961 246 P CB -0.181 31.209 31.700 -0.517 0.000 1.493 247 D N 1.532 121.795 120.400 -0.229 0.000 2.487 247 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 247 D C 0.854 177.074 176.300 -0.133 0.000 1.154 247 D CA 0.972 54.899 54.000 -0.123 0.000 0.876 247 D CB 0.538 41.311 40.800 -0.045 0.000 1.161 247 D HN 0.191 nan 8.370 nan 0.000 0.478 248 A N 3.177 125.949 122.820 -0.080 0.000 2.899 248 A HA -0.275 4.044 4.320 -0.000 0.000 0.257 248 A C 0.280 177.849 177.584 -0.027 0.000 1.335 248 A CA 1.063 53.080 52.037 -0.034 0.000 0.924 248 A CB -1.277 17.701 19.000 -0.037 0.000 1.105 248 A HN 0.613 nan 8.150 nan 0.000 0.765 249 R N -0.456 119.970 120.500 -0.123 0.000 2.368 249 R HA 0.679 5.019 4.340 -0.000 0.000 0.302 249 R C 0.672 176.990 176.300 0.030 0.000 1.002 249 R CA 0.873 56.916 56.100 -0.096 0.000 0.929 249 R CB 1.560 31.587 30.300 -0.455 0.000 1.073 249 R HN 1.054 nan 8.270 nan 0.000 0.464 250 G N 1.161 110.062 108.800 0.169 0.000 2.649 250 G HA2 0.599 4.559 3.960 -0.000 0.000 0.290 250 G HA3 0.599 4.559 3.960 -0.000 0.000 0.290 250 G C -1.431 173.491 174.900 0.036 0.000 1.426 250 G CA -0.635 44.399 45.100 -0.109 0.000 0.794 250 G HN 0.400 nan 8.290 nan 0.000 0.483 251 I N 0.063 120.526 120.570 -0.178 0.000 2.466 251 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 251 I C -1.324 174.845 176.117 0.087 0.000 1.026 251 I CA -0.503 60.886 61.300 0.149 0.000 1.078 251 I CB 2.425 40.494 38.000 0.116 0.000 1.249 251 I HN 0.628 nan 8.210 nan 0.000 0.429 252 W N 7.710 129.029 121.300 0.033 0.000 2.632 252 W HA 0.589 5.249 4.660 0.000 0.000 0.328 252 W C -0.871 175.661 176.519 0.022 0.000 1.044 252 W CA -0.138 57.227 57.345 0.032 0.000 1.225 252 W CB 1.027 30.558 29.460 0.119 0.000 1.396 252 W HN 0.619 nan 8.180 nan 0.000 0.499 253 H N 2.048 120.554 119.070 -0.940 0.000 2.980 253 H HA 0.502 5.058 4.556 -0.000 0.000 0.367 253 H C -0.386 174.024 175.328 -1.530 0.000 1.206 253 H CA -1.270 54.130 56.048 -1.081 0.000 1.126 253 H CB 0.737 30.164 29.762 -0.559 0.000 1.838 253 H HN 0.444 nan 8.280 nan 0.000 0.552 254 N N 0.718 118.892 118.700 -0.878 0.000 2.399 254 N HA -0.045 4.695 4.740 -0.000 0.000 0.250 254 N C 0.157 175.559 175.510 -0.181 0.000 1.272 254 N CA -0.296 52.433 53.050 -0.535 0.000 0.928 254 N CB 0.334 38.822 38.487 0.002 0.000 1.158 254 N HN 0.811 nan 8.380 nan 0.000 0.463 255 Y N -0.984 119.330 120.300 0.023 0.000 2.333 255 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 255 Y C 1.166 177.158 175.900 0.152 0.000 1.144 255 Y CA 0.915 59.073 58.100 0.097 0.000 1.228 255 Y CB 0.032 38.523 38.460 0.052 0.000 0.985 255 Y HN 0.466 nan 8.280 nan 0.000 0.542 256 D N 0.148 120.702 120.400 0.257 0.000 2.371 256 D HA -0.076 4.564 4.640 -0.000 0.000 0.221 256 D C 0.385 176.809 176.300 0.208 0.000 0.986 256 D CA 0.617 54.736 54.000 0.199 0.000 0.899 256 D CB -0.232 40.663 40.800 0.160 0.000 0.902 256 D HN 0.226 nan 8.370 nan 0.000 0.530 257 K N -0.839 119.733 120.400 0.287 0.000 3.096 257 K HA -0.178 4.141 4.320 -0.000 0.000 0.266 257 K C 0.529 177.387 176.600 0.429 0.000 1.043 257 K CA 1.051 57.573 56.287 0.392 0.000 0.758 257 K CB -2.540 30.034 32.500 0.122 0.000 1.260 257 K HN 0.348 nan 8.250 nan 0.000 0.481 258 T N -3.098 111.648 114.554 0.319 0.000 3.043 258 T HA 0.309 4.658 4.350 -0.000 0.000 0.272 258 T C -0.162 174.736 174.700 0.329 0.000 0.990 258 T CA -0.337 61.931 62.100 0.280 0.000 0.897 258 T CB 0.171 69.162 68.868 0.206 0.000 1.111 258 T HN 0.200 nan 8.240 nan 0.000 0.529 259 F N 1.379 121.361 119.950 0.052 0.000 2.573 259 F HA 0.750 5.277 4.527 -0.001 0.000 0.316 259 F C -1.995 173.766 175.800 -0.066 0.000 1.148 259 F CA -2.081 55.947 58.000 0.047 0.000 0.940 259 F CB 2.107 41.200 39.000 0.156 0.000 1.214 259 F HN 0.103 nan 8.300 nan 0.000 0.448 260 L N 6.978 127.863 121.223 -0.563 0.000 2.455 260 L HA 0.774 5.114 4.340 -0.000 0.000 0.264 260 L C -1.863 174.733 176.870 -0.456 0.000 0.968 260 L CA -0.426 54.084 54.840 -0.551 0.000 0.827 260 L CB 1.994 43.530 42.059 -0.872 0.000 1.317 260 L HN 0.519 nan 8.230 nan 0.000 0.407 261 I N 3.593 124.118 120.570 -0.075 0.000 2.533 261 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 261 I C -1.380 174.888 176.117 0.251 0.000 1.056 261 I CA -0.492 60.785 61.300 -0.039 0.000 1.057 261 I CB 1.940 39.942 38.000 0.003 0.000 1.240 261 I HN 0.498 nan 8.210 nan 0.000 0.423 262 W N 6.519 127.850 121.300 0.052 0.000 2.391 262 W HA 0.535 5.194 4.660 -0.001 0.000 0.311 262 W C -0.618 175.921 176.519 0.034 0.000 1.087 262 W CA -1.094 56.318 57.345 0.111 0.000 1.209 262 W CB 1.116 30.524 29.460 -0.086 0.000 1.273 262 W HN 0.135 nan 8.180 nan 0.000 0.482 263 I N 4.708 125.483 120.570 0.343 0.000 2.354 263 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 263 I C 0.540 176.730 176.117 0.122 0.000 0.989 263 I CA -0.484 60.951 61.300 0.225 0.000 1.188 263 I CB 0.868 39.060 38.000 0.321 0.000 1.342 263 I HN 0.403 nan 8.210 nan 0.000 0.457 264 N N 2.789 121.538 118.700 0.080 0.000 2.741 264 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 264 N C 0.923 176.433 175.510 -0.000 0.000 1.112 264 N CA 1.204 54.286 53.050 0.054 0.000 0.750 264 N CB -0.621 37.882 38.487 0.026 0.000 1.119 264 N HN 0.841 nan 8.380 nan 0.000 0.561 265 E N 0.974 121.108 120.200 -0.110 0.000 2.110 265 E HA -0.002 4.348 4.350 -0.000 0.000 0.220 265 E C 0.657 177.272 176.600 0.024 0.000 0.893 265 E CA 0.922 57.225 56.400 -0.162 0.000 1.027 265 E CB 0.196 29.384 29.700 -0.854 0.000 1.017 265 E HN 0.189 nan 8.360 nan 0.000 0.522 266 E N 0.179 120.375 120.200 -0.007 0.000 2.474 266 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 266 E C -0.495 176.123 176.600 0.031 0.000 1.041 266 E CA 0.162 56.584 56.400 0.038 0.000 0.874 266 E CB 0.410 30.142 29.700 0.052 0.000 0.914 266 E HN 0.280 nan 8.360 nan 0.000 0.498 267 D N -2.392 118.023 120.400 0.026 0.000 2.643 267 D HA 0.280 4.920 4.640 -0.000 0.000 0.283 267 D C 0.666 177.005 176.300 0.065 0.000 1.242 267 D CA -0.589 53.406 54.000 -0.007 0.000 0.863 267 D CB 0.845 41.626 40.800 -0.033 0.000 1.382 267 D HN 0.096 nan 8.370 nan 0.000 0.444 268 H N -0.326 118.744 119.070 0.000 0.000 2.265 268 H HA -0.079 4.477 4.556 -0.001 0.000 0.295 268 H C 0.807 176.131 175.328 -0.007 0.000 1.084 268 H CA 1.606 57.649 56.048 -0.007 0.000 1.261 268 H CB 0.291 30.046 29.762 -0.011 0.000 1.360 268 H HN 0.293 nan 8.280 nan 0.000 0.487 269 T N -1.025 113.595 114.554 0.109 0.000 2.893 269 T HA 0.503 4.853 4.350 -0.000 0.000 0.293 269 T C -0.596 174.089 174.700 -0.025 0.000 1.027 269 T CA -1.244 60.875 62.100 0.031 0.000 0.988 269 T CB 2.872 71.724 68.868 -0.026 0.000 1.043 269 T HN 0.021 nan 8.240 nan 0.000 0.461 270 R N 2.378 122.872 120.500 -0.010 0.000 2.360 270 R HA 0.582 4.922 4.340 -0.000 0.000 0.318 270 R C -1.094 175.070 176.300 -0.228 0.000 0.950 270 R CA -0.726 55.316 56.100 -0.096 0.000 0.837 270 R CB 1.754 32.032 30.300 -0.037 0.000 1.165 270 R HN 0.653 nan 8.270 nan 0.000 0.458 271 V N 5.835 125.608 119.914 -0.235 0.000 2.370 271 V HA 0.517 4.636 4.120 -0.000 0.000 0.283 271 V C 0.265 176.230 176.094 -0.216 0.000 1.023 271 V CA -0.603 61.509 62.300 -0.313 0.000 0.857 271 V CB 1.568 33.205 31.823 -0.309 0.000 0.985 271 V HN 0.554 nan 8.190 nan 0.000 0.443 272 I N 3.595 123.943 120.570 -0.370 0.000 2.499 272 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 272 I C -0.105 175.975 176.117 -0.062 0.000 1.048 272 I CA -0.095 61.087 61.300 -0.196 0.000 1.062 272 I CB 2.239 39.997 38.000 -0.403 0.000 1.238 272 I HN 0.568 nan 8.210 nan 0.000 0.426 273 S N 8.294 124.152 115.700 0.264 0.000 2.437 273 S HA 0.867 5.336 4.470 -0.000 0.000 0.305 273 S C -0.574 174.143 174.600 0.196 0.000 1.109 273 S CA -0.595 57.826 58.200 0.368 0.000 1.099 273 S CB 0.499 64.016 63.200 0.529 0.000 1.004 273 S HN 0.598 nan 8.310 nan 0.000 0.475 274 M N 3.022 122.726 119.600 0.172 0.000 2.470 274 M HA 0.712 5.192 4.480 -0.000 0.000 0.285 274 M C -1.705 174.669 176.300 0.123 0.000 1.213 274 M CA -0.594 54.776 55.300 0.117 0.000 0.901 274 M CB 2.089 34.737 32.600 0.080 0.000 1.718 274 M HN 0.467 nan 8.290 nan 0.000 0.469 275 E N 1.333 121.576 120.200 0.071 0.000 2.413 275 E HA 0.476 4.826 4.350 -0.000 0.000 0.277 275 E C -1.392 175.209 176.600 0.003 0.000 0.958 275 E CA -1.266 55.164 56.400 0.050 0.000 0.779 275 E CB 2.246 31.983 29.700 0.062 0.000 1.278 275 E HN 0.492 nan 8.360 nan 0.000 0.456 276 K N 0.957 121.346 120.400 -0.018 0.000 2.380 276 K HA 0.400 4.720 4.320 -0.000 0.000 0.267 276 K C 0.606 177.213 176.600 0.012 0.000 0.990 276 K CA 0.807 57.077 56.287 -0.029 0.000 0.946 276 K CB 0.547 33.028 32.500 -0.033 0.000 0.937 276 K HN 0.830 nan 8.250 nan 0.000 0.491 277 G N 0.492 109.308 108.800 0.027 0.000 2.568 277 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.222 277 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.222 277 G C 0.323 175.297 174.900 0.123 0.000 1.321 277 G CA -0.227 44.907 45.100 0.057 0.000 0.893 277 G HN 0.735 nan 8.290 nan 0.000 0.569 278 G N -0.622 108.262 108.800 0.140 0.000 3.839 278 G HA2 0.368 4.328 3.960 -0.000 0.000 0.286 278 G HA3 0.368 4.328 3.960 -0.000 0.000 0.286 278 G C 0.347 175.260 174.900 0.022 0.000 1.005 278 G CA 0.770 46.023 45.100 0.255 0.000 0.824 278 G HN 0.724 nan 8.290 nan 0.000 0.489 279 N N 1.500 120.203 118.700 0.005 0.000 3.245 279 N HA 0.106 4.846 4.740 -0.000 0.000 0.296 279 N C 1.580 177.061 175.510 -0.048 0.000 1.254 279 N CA -0.432 52.583 53.050 -0.058 0.000 1.190 279 N CB 0.612 39.091 38.487 -0.014 0.000 1.460 279 N HN 0.129 nan 8.380 nan 0.000 0.538 280 M N 1.743 121.254 119.600 -0.147 0.000 2.213 280 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 280 M C 1.856 178.155 176.300 -0.003 0.000 1.062 280 M CA 1.619 56.883 55.300 -0.060 0.000 1.105 280 M CB -0.109 32.401 32.600 -0.150 0.000 1.385 280 M HN 0.332 nan 8.290 nan 0.000 0.417 281 K N -0.530 119.835 120.400 -0.058 0.000 2.026 281 K HA -0.228 4.091 4.320 -0.000 0.000 0.208 281 K C 2.365 179.011 176.600 0.077 0.000 1.048 281 K CA 1.726 58.031 56.287 0.030 0.000 0.929 281 K CB -0.288 32.199 32.500 -0.022 0.000 0.713 281 K HN 0.395 nan 8.250 nan 0.000 0.439 282 R N 0.395 120.918 120.500 0.038 0.000 2.075 282 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 282 R C 2.167 178.518 176.300 0.084 0.000 1.126 282 R CA 1.379 57.506 56.100 0.046 0.000 0.963 282 R CB -0.223 30.095 30.300 0.029 0.000 0.858 282 R HN 0.074 nan 8.270 nan 0.000 0.435 283 V N 0.875 120.852 119.914 0.105 0.000 2.282 283 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 283 V C 2.076 178.311 176.094 0.235 0.000 1.057 283 V CA 2.040 64.434 62.300 0.156 0.000 1.032 283 V CB -0.666 31.239 31.823 0.136 0.000 0.645 283 V HN 0.340 nan 8.190 nan 0.000 0.447 284 F N 0.870 120.850 119.950 0.050 0.000 2.206 284 F HA -0.064 4.462 4.527 -0.001 0.000 0.298 284 F C 2.302 178.195 175.800 0.156 0.000 1.090 284 F CA 1.642 59.682 58.000 0.068 0.000 1.323 284 F CB -0.317 38.677 39.000 -0.010 0.000 1.028 284 F HN 0.224 nan 8.300 nan 0.000 0.492 285 E N -0.071 120.134 120.200 0.009 0.000 2.058 285 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 285 E C 2.357 178.896 176.600 -0.102 0.000 0.997 285 E CA 1.546 57.891 56.400 -0.091 0.000 0.801 285 E CB -0.282 29.405 29.700 -0.021 0.000 0.746 285 E HN 0.317 nan 8.360 nan 0.000 0.450 286 R N 0.045 120.526 120.500 -0.032 0.000 2.096 286 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 286 R C 2.211 178.422 176.300 -0.148 0.000 1.127 286 R CA 1.204 57.239 56.100 -0.109 0.000 0.968 286 R CB -0.297 29.977 30.300 -0.044 0.000 0.861 286 R HN 0.177 nan 8.270 nan 0.000 0.440 287 F N 0.586 120.481 119.950 -0.091 0.000 2.069 287 F HA -0.298 4.228 4.527 -0.001 0.000 0.298 287 F C 2.165 177.900 175.800 -0.109 0.000 1.113 287 F CA 1.811 59.835 58.000 0.041 0.000 1.214 287 F CB -0.558 38.510 39.000 0.113 0.000 0.978 287 F HN 0.060 nan 8.300 nan 0.000 0.474 288 C N 0.693 119.913 119.300 -0.134 0.000 2.429 288 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 288 C C 2.816 177.663 174.990 -0.239 0.000 1.262 288 C CA 1.357 60.216 59.018 -0.264 0.000 1.733 288 C CB -1.394 26.117 27.740 -0.382 0.000 2.010 288 C HN 0.550 nan 8.230 nan 0.000 0.483 289 R N 0.947 121.309 120.500 -0.230 0.000 2.066 289 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 289 R C 2.303 178.452 176.300 -0.251 0.000 1.131 289 R CA 1.894 57.869 56.100 -0.208 0.000 0.955 289 R CB -0.679 29.507 30.300 -0.190 0.000 0.851 289 R HN 0.536 nan 8.270 nan 0.000 0.432 290 G N 0.729 109.286 108.800 -0.404 0.000 2.408 290 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 290 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 290 G C 1.427 176.244 174.900 -0.138 0.000 1.150 290 G CA 0.567 45.393 45.100 -0.457 0.000 0.776 290 G HN 0.232 nan 8.290 nan 0.000 0.542 291 L N 0.153 121.275 121.223 -0.169 0.000 2.017 291 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 291 L C 2.831 179.676 176.870 -0.042 0.000 1.073 291 L CA 1.768 56.529 54.840 -0.132 0.000 0.745 291 L CB -0.309 41.537 42.059 -0.354 0.000 0.894 291 L HN 0.238 nan 8.230 nan 0.000 0.432 292 K N -0.255 120.092 120.400 -0.088 0.000 2.063 292 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 292 K C 2.079 178.633 176.600 -0.077 0.000 1.048 292 K CA 1.523 57.771 56.287 -0.064 0.000 0.928 292 K CB 0.032 32.484 32.500 -0.079 0.000 0.713 292 K HN 0.167 nan 8.250 nan 0.000 0.442 293 E N 0.408 120.553 120.200 -0.092 0.000 2.072 293 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 293 E C 2.136 178.681 176.600 -0.091 0.000 0.985 293 E CA 1.024 57.370 56.400 -0.090 0.000 0.801 293 E CB -0.234 29.409 29.700 -0.096 0.000 0.750 293 E HN 0.165 nan 8.360 nan 0.000 0.452 294 V N 1.380 121.252 119.914 -0.070 0.000 2.332 294 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 294 V C 2.478 178.496 176.094 -0.126 0.000 1.055 294 V CA 2.148 64.406 62.300 -0.070 0.000 1.038 294 V CB -0.456 31.370 31.823 0.006 0.000 0.651 294 V HN 0.310 nan 8.190 nan 0.000 0.450 295 E N 0.196 120.305 120.200 -0.151 0.000 2.058 295 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 295 E C 2.485 178.910 176.600 -0.293 0.000 0.997 295 E CA 1.565 57.703 56.400 -0.437 0.000 0.801 295 E CB -0.173 29.324 29.700 -0.339 0.000 0.746 295 E HN 0.460 nan 8.360 nan 0.000 0.450 296 R N 0.265 120.662 120.500 -0.172 0.000 2.081 296 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 296 R C 2.449 178.683 176.300 -0.111 0.000 1.131 296 R CA 1.310 57.334 56.100 -0.126 0.000 0.960 296 R CB -0.229 30.016 30.300 -0.093 0.000 0.856 296 R HN 0.261 nan 8.270 nan 0.000 0.436 297 L N 1.026 122.182 121.223 -0.111 0.000 2.093 297 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 297 L C 2.529 179.351 176.870 -0.080 0.000 1.085 297 L CA 1.229 56.014 54.840 -0.091 0.000 0.755 297 L CB -0.420 41.579 42.059 -0.100 0.000 0.904 297 L HN 0.373 nan 8.230 nan 0.000 0.435 298 I N -2.970 117.531 120.570 -0.115 0.000 2.439 298 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 298 I C 2.261 178.394 176.117 0.027 0.000 1.139 298 I CA 1.191 62.460 61.300 -0.052 0.000 1.438 298 I CB -0.422 37.502 38.000 -0.126 0.000 1.085 298 I HN 0.278 nan 8.210 nan 0.000 0.427 299 Q N 1.260 121.013 119.800 -0.078 0.000 2.167 299 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 299 Q C 2.096 178.071 176.000 -0.041 0.000 0.970 299 Q CA 1.575 57.338 55.803 -0.066 0.000 0.855 299 Q CB -0.130 28.540 28.738 -0.115 0.000 0.911 299 Q HN 0.606 nan 8.270 nan 0.000 0.438 300 E N 0.529 120.706 120.200 -0.038 0.000 2.114 300 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 300 E C 1.185 177.782 176.600 -0.005 0.000 1.008 300 E CA 0.945 57.329 56.400 -0.027 0.000 0.810 300 E CB 0.090 29.774 29.700 -0.027 0.000 0.739 300 E HN 0.186 nan 8.360 nan 0.000 0.456 301 R N -0.940 119.589 120.500 0.049 0.000 2.480 301 R HA 0.104 4.443 4.340 -0.000 0.000 0.277 301 R C 0.701 176.996 176.300 -0.008 0.000 1.008 301 R CA 0.485 56.638 56.100 0.088 0.000 1.090 301 R CB 0.823 31.245 30.300 0.204 0.000 1.234 301 R HN 0.266 nan 8.270 nan 0.000 0.549 302 G N 0.386 109.137 108.800 -0.081 0.000 2.159 302 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 302 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 302 G C -0.360 174.348 174.900 -0.320 0.000 0.977 302 G CA -0.109 44.854 45.100 -0.229 0.000 0.652 302 G HN 0.314 nan 8.290 nan 0.000 0.531 303 W N 0.837 122.090 121.300 -0.078 0.000 2.381 303 W HA 0.692 5.352 4.660 -0.000 0.000 0.329 303 W C 0.627 177.082 176.519 -0.106 0.000 1.157 303 W CA -0.676 56.625 57.345 -0.072 0.000 1.240 303 W CB 0.839 30.254 29.460 -0.075 0.000 1.199 303 W HN 0.125 nan 8.180 nan 0.000 0.579 304 E N 1.288 121.609 120.200 0.200 0.000 2.277 304 E HA 0.381 4.731 4.350 -0.000 0.000 0.266 304 E C -1.114 175.628 176.600 0.237 0.000 0.901 304 E CA -1.209 55.253 56.400 0.102 0.000 0.782 304 E CB 1.609 31.379 29.700 0.118 0.000 1.228 304 E HN 0.032 nan 8.360 nan 0.000 0.424 305 F N 1.307 121.377 119.950 0.200 0.000 2.471 305 F HA 0.157 4.683 4.527 -0.001 0.000 0.353 305 F C 0.935 176.916 175.800 0.301 0.000 1.113 305 F CA -0.357 57.789 58.000 0.244 0.000 1.262 305 F CB 0.244 39.421 39.000 0.294 0.000 1.146 305 F HN 0.258 nan 8.300 nan 0.000 0.578 306 M N 3.167 123.060 119.600 0.489 0.000 2.268 306 M HA 0.090 4.570 4.480 -0.000 0.000 0.349 306 M C -0.926 175.637 176.300 0.438 0.000 1.485 306 M CA 0.690 56.204 55.300 0.358 0.000 1.094 306 M CB 0.268 33.004 32.600 0.227 0.000 1.843 306 M HN 0.709 nan 8.290 nan 0.000 0.460 307 W N 5.648 127.009 121.300 0.102 0.000 3.479 307 W HA 0.457 5.117 4.660 0.000 0.000 0.304 307 W C -1.799 174.678 176.519 -0.070 0.000 1.243 307 W CA -0.570 56.744 57.345 -0.052 0.000 1.202 307 W CB 1.164 30.542 29.460 -0.136 0.000 1.346 307 W HN 0.726 nan 8.180 nan 0.000 0.539 308 N N 0.395 118.459 118.700 -1.059 0.000 2.647 308 N HA 0.293 5.033 4.740 -0.000 0.000 0.266 308 N C 0.284 174.776 175.510 -1.697 0.000 1.373 308 N CA -0.089 52.247 53.050 -1.191 0.000 0.807 308 N CB 1.413 39.615 38.487 -0.475 0.000 1.513 308 N HN 0.271 nan 8.380 nan 0.000 0.505 309 E N -0.088 119.441 120.200 -1.118 0.000 2.153 309 E HA -0.255 4.094 4.350 -0.000 0.000 0.194 309 E C 1.440 177.840 176.600 -0.334 0.000 0.988 309 E CA 1.555 57.580 56.400 -0.625 0.000 0.811 309 E CB -0.704 28.878 29.700 -0.197 0.000 0.746 309 E HN 0.807 nan 8.360 nan 0.000 0.466 310 R N 0.376 120.701 120.500 -0.292 0.000 2.140 310 R HA 0.234 4.574 4.340 -0.000 0.000 0.213 310 R C 2.409 178.659 176.300 -0.083 0.000 1.059 310 R CA 1.212 57.249 56.100 -0.104 0.000 1.000 310 R CB -0.324 29.925 30.300 -0.083 0.000 0.910 310 R HN 0.403 nan 8.270 nan 0.000 0.455 311 L N 0.728 121.767 121.223 -0.306 0.000 2.664 311 L HA 0.330 4.669 4.340 -0.000 0.000 0.233 311 L C 1.047 177.593 176.870 -0.541 0.000 1.113 311 L CA 0.213 54.816 54.840 -0.396 0.000 0.896 311 L CB 0.342 42.109 42.059 -0.486 0.000 1.163 311 L HN 0.585 nan 8.230 nan 0.000 0.497 312 G N 0.172 108.604 108.800 -0.613 0.000 2.566 312 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.280 312 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.280 312 G C -0.402 174.136 174.900 -0.603 0.000 1.225 312 G CA -0.113 44.618 45.100 -0.615 0.000 0.966 312 G HN 0.090 nan 8.290 nan 0.000 0.560 313 Y N 0.511 120.780 120.300 -0.052 0.000 2.526 313 Y HA 0.480 5.031 4.550 0.000 0.000 0.330 313 Y C 1.335 177.133 175.900 -0.170 0.000 1.156 313 Y CA 0.078 58.182 58.100 0.007 0.000 1.419 313 Y CB 0.416 38.894 38.460 0.029 0.000 1.250 313 Y HN 0.436 nan 8.280 nan 0.000 0.540 314 I N 5.524 126.112 120.570 0.030 0.000 2.325 314 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 314 I C -0.318 175.777 176.117 -0.038 0.000 1.019 314 I CA 0.053 61.282 61.300 -0.119 0.000 1.302 314 I CB 0.383 38.315 38.000 -0.114 0.000 1.401 314 I HN 0.417 nan 8.210 nan 0.000 0.485 315 L N 4.342 125.537 121.223 -0.048 0.000 2.257 315 L HA 0.443 4.782 4.340 -0.000 0.000 0.257 315 L C 1.261 178.178 176.870 0.078 0.000 1.033 315 L CA -0.618 54.212 54.840 -0.017 0.000 0.835 315 L CB 1.896 43.942 42.059 -0.023 0.000 1.398 315 L HN 0.488 nan 8.230 nan 0.000 0.429 316 T N -1.166 113.407 114.554 0.032 0.000 2.684 316 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 316 T C 0.531 175.318 174.700 0.145 0.000 1.036 316 T CA 1.085 63.219 62.100 0.056 0.000 1.148 316 T CB -0.136 68.742 68.868 0.016 0.000 0.863 316 T HN 0.511 nan 8.240 nan 0.000 0.436 317 C N 2.922 122.309 119.300 0.145 0.000 2.307 317 C HA 0.398 4.858 4.460 -0.000 0.000 0.340 317 C C -1.380 173.758 174.990 0.247 0.000 1.275 317 C CA -2.282 56.846 59.018 0.184 0.000 1.811 317 C CB 0.915 28.730 27.740 0.125 0.000 2.372 317 C HN 0.290 nan 8.230 nan 0.000 0.531 318 P HA -0.145 nan 4.420 nan 0.000 0.220 318 P C 1.544 179.079 177.300 0.392 0.000 1.144 318 P CA 1.892 65.228 63.100 0.393 0.000 0.800 318 P CB 0.002 31.989 31.700 0.477 0.000 0.772 319 S N -1.735 114.125 115.700 0.266 0.000 2.447 319 S HA -0.059 4.410 4.470 -0.000 0.000 0.233 319 S C 1.414 176.175 174.600 0.267 0.000 1.006 319 S CA 0.800 59.143 58.200 0.238 0.000 0.957 319 S CB -0.857 62.394 63.200 0.085 0.000 0.773 319 S HN 0.088 nan 8.310 nan 0.000 0.507 320 N N 1.131 119.916 118.700 0.142 0.000 2.321 320 N HA 0.392 5.131 4.740 -0.000 0.000 0.242 320 N C -0.383 175.096 175.510 -0.053 0.000 1.141 320 N CA -0.048 53.030 53.050 0.047 0.000 0.864 320 N CB 0.334 38.844 38.487 0.039 0.000 1.100 320 N HN 0.442 nan 8.380 nan 0.000 0.510 321 L N -0.786 120.351 121.223 -0.142 0.000 2.468 321 L HA 0.364 4.704 4.340 -0.000 0.000 0.254 321 L C 1.715 178.308 176.870 -0.461 0.000 1.171 321 L CA 0.240 54.890 54.840 -0.316 0.000 0.809 321 L CB 0.446 42.265 42.059 -0.400 0.000 1.155 321 L HN 0.289 nan 8.230 nan 0.000 0.473 322 G N 0.320 108.767 108.800 -0.587 0.000 3.487 322 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.295 322 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.295 322 G C 0.836 175.453 174.900 -0.471 0.000 1.454 322 G CA 0.678 45.141 45.100 -1.062 0.000 1.039 322 G HN 0.736 nan 8.290 nan 0.000 0.624 323 T N -0.976 113.460 114.554 -0.197 0.000 3.039 323 T HA 0.424 4.774 4.350 -0.000 0.000 0.250 323 T C 2.713 177.481 174.700 0.113 0.000 1.052 323 T CA 1.756 63.954 62.100 0.163 0.000 1.125 323 T CB 0.020 68.992 68.868 0.172 0.000 0.908 323 T HN 2.637 nan 8.240 nan 0.000 0.473 324 G N 1.666 110.467 108.800 0.001 0.000 2.233 324 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.270 324 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.270 324 G C -0.085 174.836 174.900 0.035 0.000 1.011 324 G CA 0.632 45.736 45.100 0.007 0.000 0.762 324 G HN 0.822 nan 8.290 nan 0.000 0.511 325 L N -0.462 120.786 121.223 0.042 0.000 2.282 325 L HA 0.779 5.119 4.340 -0.000 0.000 0.288 325 L C 0.454 177.315 176.870 -0.016 0.000 1.033 325 L CA -1.137 53.718 54.840 0.026 0.000 0.807 325 L CB 1.012 43.089 42.059 0.031 0.000 1.209 325 L HN 0.149 nan 8.230 nan 0.000 0.423 326 R N 4.742 125.222 120.500 -0.033 0.000 2.358 326 R HA 0.610 4.950 4.340 -0.000 0.000 0.309 326 R C -1.145 175.116 176.300 -0.065 0.000 1.026 326 R CA -0.435 55.647 56.100 -0.031 0.000 0.909 326 R CB 1.285 31.586 30.300 0.001 0.000 1.153 326 R HN 0.753 nan 8.270 nan 0.000 0.515 327 A N 2.594 125.362 122.820 -0.087 0.000 2.274 327 A HA 0.744 5.064 4.320 -0.000 0.000 0.309 327 A C -0.216 177.354 177.584 -0.024 0.000 1.226 327 A CA -0.221 51.759 52.037 -0.095 0.000 0.853 327 A CB 1.310 20.213 19.000 -0.162 0.000 1.146 327 A HN 0.816 nan 8.150 nan 0.000 0.518 328 G N -0.047 108.760 108.800 0.012 0.000 2.649 328 G HA2 0.720 4.680 3.960 -0.000 0.000 0.290 328 G HA3 0.720 4.680 3.960 -0.000 0.000 0.290 328 G C -0.914 174.029 174.900 0.072 0.000 1.426 328 G CA 0.149 45.275 45.100 0.044 0.000 0.794 328 G HN 1.860 nan 8.290 nan 0.000 0.483 329 V N -2.879 117.086 119.914 0.084 0.000 3.102 329 V HA 0.700 4.819 4.120 -0.000 0.000 0.312 329 V C -0.906 175.335 176.094 0.244 0.000 1.135 329 V CA -1.159 61.202 62.300 0.102 0.000 1.022 329 V CB 1.786 33.594 31.823 -0.025 0.000 1.056 329 V HN 0.865 nan 8.190 nan 0.000 0.436 330 H N 0.496 119.589 119.070 0.038 0.000 2.541 330 H HA 0.760 5.315 4.556 -0.000 0.000 0.316 330 H C -1.109 174.253 175.328 0.056 0.000 1.043 330 H CA -0.465 55.613 56.048 0.051 0.000 1.232 330 H CB 2.032 31.814 29.762 0.034 0.000 1.406 330 H HN 0.631 nan 8.280 nan 0.000 0.469 331 V N 5.189 125.199 119.914 0.159 0.000 2.686 331 V HA 0.269 4.388 4.120 -0.000 0.000 0.306 331 V C -0.690 175.501 176.094 0.162 0.000 1.065 331 V CA -0.804 61.579 62.300 0.139 0.000 0.894 331 V CB 2.032 33.901 31.823 0.078 0.000 1.004 331 V HN 0.747 nan 8.190 nan 0.000 0.424 332 R N 6.791 127.394 120.500 0.172 0.000 2.205 332 R HA 0.516 4.856 4.340 -0.000 0.000 0.342 332 R C -0.370 176.046 176.300 0.193 0.000 1.058 332 R CA -0.250 55.945 56.100 0.159 0.000 0.904 332 R CB 0.336 30.703 30.300 0.111 0.000 1.089 332 R HN 0.787 nan 8.270 nan 0.000 0.471 333 I N 2.937 123.592 120.570 0.142 0.000 2.925 333 I HA 0.354 4.524 4.170 -0.000 0.000 0.296 333 I C -2.154 173.942 176.117 -0.034 0.000 1.413 333 I CA -2.133 59.185 61.300 0.029 0.000 0.932 333 I CB 1.619 39.569 38.000 -0.083 0.000 1.873 333 I HN 0.320 nan 8.210 nan 0.000 0.619 334 P HA -0.155 nan 4.420 nan 0.000 0.216 334 P C 1.183 178.443 177.300 -0.067 0.000 1.150 334 P CA 1.593 64.694 63.100 0.001 0.000 0.837 334 P CB 0.390 32.100 31.700 0.017 0.000 0.786 335 K N -1.081 119.272 120.400 -0.079 0.000 2.128 335 K HA 0.024 4.343 4.320 -0.000 0.000 0.202 335 K C 2.133 178.633 176.600 -0.167 0.000 1.050 335 K CA 0.289 56.520 56.287 -0.095 0.000 0.966 335 K CB -0.758 31.709 32.500 -0.054 0.000 0.759 335 K HN -0.033 nan 8.250 nan 0.000 0.454 336 L N 1.066 122.152 121.223 -0.229 0.000 2.083 336 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 336 L C 2.206 178.655 176.870 -0.701 0.000 1.083 336 L CA 1.653 56.301 54.840 -0.320 0.000 0.752 336 L CB -0.697 41.206 42.059 -0.261 0.000 0.899 336 L HN 0.126 nan 8.230 nan 0.000 0.433 337 S N -0.823 114.347 115.700 -0.884 0.000 2.419 337 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 337 S C 1.867 176.161 174.600 -0.509 0.000 1.019 337 S CA 1.606 59.116 58.200 -1.151 0.000 0.982 337 S CB -0.248 62.625 63.200 -0.544 0.000 0.789 337 S HN 0.611 nan 8.310 nan 0.000 0.490 338 K N 0.587 120.826 120.400 -0.269 0.000 2.358 338 K HA 0.192 4.511 4.320 -0.000 0.000 0.197 338 K C -0.148 176.411 176.600 -0.068 0.000 1.025 338 K CA -0.186 56.038 56.287 -0.106 0.000 1.104 338 K CB 0.285 32.749 32.500 -0.060 0.000 0.855 338 K HN 0.330 nan 8.250 nan 0.000 0.531 339 D N 1.619 121.963 120.400 -0.093 0.000 2.350 339 D HA 0.031 4.670 4.640 -0.000 0.000 0.249 339 D C -1.527 174.797 176.300 0.039 0.000 1.119 339 D CA -1.854 52.132 54.000 -0.023 0.000 0.886 339 D CB 1.546 42.332 40.800 -0.023 0.000 1.195 339 D HN -0.053 nan 8.370 nan 0.000 0.437 340 P HA -0.036 nan 4.420 nan 0.000 0.223 340 P C 0.856 178.198 177.300 0.070 0.000 1.151 340 P CA 0.574 63.706 63.100 0.054 0.000 0.787 340 P CB 0.383 32.102 31.700 0.032 0.000 0.788 341 R N -1.829 118.714 120.500 0.073 0.000 2.307 341 R HA 0.006 4.345 4.340 -0.000 0.000 0.199 341 R C 2.021 178.390 176.300 0.115 0.000 1.000 341 R CA 0.152 56.295 56.100 0.072 0.000 1.023 341 R CB -0.781 29.556 30.300 0.062 0.000 0.908 341 R HN 0.110 nan 8.270 nan 0.000 0.473 342 F N 1.768 121.692 119.950 -0.043 0.000 2.065 342 F HA -0.286 4.241 4.527 0.000 0.000 0.298 342 F C 2.026 177.785 175.800 -0.069 0.000 1.112 342 F CA 1.689 59.647 58.000 -0.069 0.000 1.212 342 F CB -0.518 38.416 39.000 -0.111 0.000 0.975 342 F HN -0.127 nan 8.300 nan 0.000 0.476 343 S N -0.249 115.353 115.700 -0.164 0.000 2.383 343 S HA -0.231 4.238 4.470 -0.000 0.000 0.229 343 S C 1.934 176.427 174.600 -0.179 0.000 1.030 343 S CA 1.583 59.629 58.200 -0.257 0.000 1.002 343 S CB -0.370 62.757 63.200 -0.121 0.000 0.829 343 S HN 0.270 nan 8.310 nan 0.000 0.467 344 K N 1.622 121.966 120.400 -0.093 0.000 2.103 344 K HA 0.168 4.487 4.320 -0.000 0.000 0.204 344 K C 1.723 178.271 176.600 -0.088 0.000 1.052 344 K CA 0.949 57.193 56.287 -0.071 0.000 0.945 344 K CB -0.510 31.970 32.500 -0.033 0.000 0.722 344 K HN 0.342 nan 8.250 nan 0.000 0.443 345 I N 0.443 120.968 120.570 -0.075 0.000 2.179 345 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 345 I C 2.028 178.059 176.117 -0.143 0.000 1.088 345 I CA 1.150 62.404 61.300 -0.077 0.000 1.357 345 I CB -0.250 37.774 38.000 0.040 0.000 1.051 345 I HN 0.105 nan 8.210 nan 0.000 0.409 346 L N 0.313 121.403 121.223 -0.222 0.000 2.017 346 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 346 L C 2.666 179.433 176.870 -0.172 0.000 1.073 346 L CA 1.659 56.351 54.840 -0.246 0.000 0.745 346 L CB -0.716 41.100 42.059 -0.406 0.000 0.894 346 L HN 0.357 nan 8.230 nan 0.000 0.432 347 E N 0.584 120.690 120.200 -0.156 0.000 2.051 347 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 347 E C 1.851 178.395 176.600 -0.094 0.000 0.991 347 E CA 1.600 57.934 56.400 -0.109 0.000 0.799 347 E CB 0.059 29.704 29.700 -0.091 0.000 0.748 347 E HN 0.430 nan 8.360 nan 0.000 0.449 348 N N 0.433 119.070 118.700 -0.106 0.000 2.244 348 N HA -0.097 4.642 4.740 -0.000 0.000 0.183 348 N C 1.650 177.086 175.510 -0.124 0.000 1.016 348 N CA 0.821 53.806 53.050 -0.107 0.000 0.866 348 N CB -0.113 38.301 38.487 -0.122 0.000 0.980 348 N HN 0.251 nan 8.380 nan 0.000 0.430 349 L N 0.422 121.559 121.223 -0.144 0.000 2.599 349 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 349 L C 0.017 176.834 176.870 -0.090 0.000 1.141 349 L CA 0.061 54.820 54.840 -0.136 0.000 0.877 349 L CB -0.064 41.905 42.059 -0.150 0.000 1.009 349 L HN 0.101 nan 8.230 nan 0.000 0.447 350 R N -0.088 120.364 120.500 -0.080 0.000 3.423 350 R HA -0.159 4.181 4.340 -0.000 0.000 0.271 350 R C -0.638 175.629 176.300 -0.055 0.000 1.093 350 R CA 0.413 56.480 56.100 -0.056 0.000 0.730 350 R CB -2.504 27.774 30.300 -0.037 0.000 1.190 350 R HN 0.316 nan 8.270 nan 0.000 0.437 351 L N 0.568 121.745 121.223 -0.076 0.000 2.322 351 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 351 L C 0.647 177.464 176.870 -0.090 0.000 1.012 351 L CA -0.949 53.846 54.840 -0.075 0.000 0.815 351 L CB 1.853 43.861 42.059 -0.086 0.000 1.295 351 L HN 0.155 nan 8.230 nan 0.000 0.438 352 Q N 1.193 120.953 119.800 -0.067 0.000 2.413 352 Q HA 0.637 4.977 4.340 -0.000 0.000 0.276 352 Q C -1.595 174.377 176.000 -0.046 0.000 1.099 352 Q CA -1.108 54.656 55.803 -0.064 0.000 0.814 352 Q CB 2.834 31.557 28.738 -0.026 0.000 1.379 352 Q HN 0.604 nan 8.270 nan 0.000 0.436 353 K N 0.787 121.163 120.400 -0.041 0.000 2.295 353 K HA 0.782 5.101 4.320 -0.000 0.000 0.239 353 K C -0.958 175.704 176.600 0.104 0.000 0.991 353 K CA -0.991 55.326 56.287 0.050 0.000 0.845 353 K CB 2.809 35.331 32.500 0.036 0.000 1.197 353 K HN 0.771 nan 8.250 nan 0.000 0.441 354 R N 0.057 120.659 120.500 0.169 0.000 2.733 354 R HA 0.386 4.726 4.340 -0.000 0.000 0.272 354 R C -0.914 175.434 176.300 0.082 0.000 1.029 354 R CA -0.726 55.442 56.100 0.114 0.000 0.888 354 R CB 1.680 32.035 30.300 0.091 0.000 1.251 354 R HN 0.916 nan 8.270 nan 0.000 0.464 355 G N -0.269 108.538 108.800 0.011 0.000 2.562 355 G HA2 0.209 4.169 3.960 -0.000 0.000 0.275 355 G HA3 0.209 4.169 3.960 -0.000 0.000 0.275 355 G C 0.504 175.333 174.900 -0.118 0.000 1.196 355 G CA -0.178 44.867 45.100 -0.092 0.000 0.908 355 G HN 0.610 nan 8.290 nan 0.000 0.524 356 T N 0.675 115.101 114.554 -0.212 0.000 2.833 356 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 356 T C 2.299 177.001 174.700 0.003 0.000 1.054 356 T CA 1.438 63.374 62.100 -0.273 0.000 1.135 356 T CB -0.129 68.591 68.868 -0.246 0.000 0.869 356 T HN 0.607 nan 8.240 nan 0.000 0.466 357 G N 0.279 109.094 108.800 0.025 0.000 2.920 357 G HA2 0.469 4.428 3.960 -0.000 0.000 0.208 357 G HA3 0.469 4.428 3.960 -0.000 0.000 0.208 357 G C 0.693 175.662 174.900 0.116 0.000 1.159 357 G CA 0.223 45.375 45.100 0.086 0.000 0.784 357 G HN 0.862 nan 8.290 nan 0.000 0.535 358 G N -1.284 107.586 108.800 0.118 0.000 2.352 358 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.324 358 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.324 358 G C 0.807 175.758 174.900 0.084 0.000 1.249 358 G CA 0.114 45.291 45.100 0.128 0.000 1.053 358 G HN 0.875 nan 8.290 nan 0.000 0.492 359 V N 0.149 120.113 119.914 0.083 0.000 2.277 359 V HA 0.027 4.147 4.120 -0.000 0.000 0.253 359 V C 2.276 178.395 176.094 0.041 0.000 1.067 359 V CA 4.142 66.479 62.300 0.061 0.000 1.047 359 V CB -0.791 31.067 31.823 0.057 0.000 0.649 359 V HN 2.009 nan 8.190 nan 0.000 0.447 360 D N -1.307 119.112 120.400 0.031 0.000 2.559 360 D HA 0.406 5.045 4.640 -0.000 0.000 0.234 360 D C 0.685 176.991 176.300 0.010 0.000 1.226 360 D CA 0.565 54.575 54.000 0.017 0.000 0.830 360 D CB -0.030 40.775 40.800 0.008 0.000 1.028 360 D HN 0.827 nan 8.370 nan 0.000 0.492 361 T N -3.888 110.672 114.554 0.011 0.000 2.922 361 T HA 0.739 5.088 4.350 -0.000 0.000 0.281 361 T C 0.482 175.168 174.700 -0.024 0.000 1.005 361 T CA 0.031 62.129 62.100 -0.004 0.000 0.982 361 T CB 1.689 70.558 68.868 0.001 0.000 1.158 361 T HN 0.626 nan 8.240 nan 0.000 0.566 362 A N 0.271 123.064 122.820 -0.045 0.000 2.302 362 A HA 0.720 5.040 4.320 -0.000 0.000 0.285 362 A C 0.683 178.172 177.584 -0.158 0.000 1.105 362 A CA -0.547 51.443 52.037 -0.078 0.000 0.816 362 A CB -0.162 18.800 19.000 -0.064 0.000 1.067 362 A HN 1.441 nan 8.150 nan 0.000 0.489 363 A N 2.022 124.681 122.820 -0.268 0.000 2.666 363 A HA 0.484 4.804 4.320 -0.000 0.000 0.301 363 A C 0.076 177.455 177.584 -0.342 0.000 1.470 363 A CA -0.266 51.462 52.037 -0.516 0.000 1.159 363 A CB -1.023 17.226 19.000 -1.252 0.000 1.116 363 A HN 0.863 nan 8.150 nan 0.000 0.548 364 V N 2.266 122.040 119.914 -0.233 0.000 2.479 364 V HA 0.350 4.470 4.120 -0.000 0.000 0.281 364 V C 1.306 177.322 176.094 -0.130 0.000 1.031 364 V CA 0.952 63.168 62.300 -0.140 0.000 1.038 364 V CB -0.024 31.746 31.823 -0.088 0.000 0.981 364 V HN 1.929 nan 8.190 nan 0.000 0.478 365 A N 4.409 127.175 122.820 -0.090 0.000 2.905 365 A HA -0.185 4.134 4.320 -0.000 0.000 0.260 365 A C 0.782 178.336 177.584 -0.049 0.000 1.398 365 A CA 0.667 52.671 52.037 -0.054 0.000 0.840 365 A CB -1.938 17.040 19.000 -0.036 0.000 1.059 365 A HN 1.141 nan 8.150 nan 0.000 0.647 366 D N -3.282 117.069 120.400 -0.081 0.000 3.012 366 D HA -0.174 4.466 4.640 -0.000 0.000 0.222 366 D C 0.005 176.319 176.300 0.024 0.000 1.167 366 D CA 1.325 55.321 54.000 -0.006 0.000 0.854 366 D CB -1.908 38.929 40.800 0.062 0.000 1.107 366 D HN 1.000 nan 8.370 nan 0.000 0.421 367 V N 1.437 121.274 119.914 -0.129 0.000 2.348 367 V HA 0.274 4.393 4.120 -0.000 0.000 0.270 367 V C 0.130 176.073 176.094 -0.253 0.000 1.037 367 V CA -0.434 61.812 62.300 -0.091 0.000 0.872 367 V CB 0.608 32.366 31.823 -0.108 0.000 1.002 367 V HN -0.012 nan 8.190 nan 0.000 0.464 368 Y N 1.998 122.261 120.300 -0.062 0.000 2.387 368 Y HA 0.400 4.949 4.550 -0.001 0.000 0.336 368 Y C 0.467 176.328 175.900 -0.064 0.000 1.067 368 Y CA -0.953 57.125 58.100 -0.037 0.000 1.114 368 Y CB 1.306 39.823 38.460 0.094 0.000 1.208 368 Y HN 0.563 nan 8.280 nan 0.000 0.458 369 D N 3.759 124.196 120.400 0.062 0.000 2.393 369 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 369 D C -0.903 175.497 176.300 0.168 0.000 1.192 369 D CA 0.029 54.117 54.000 0.147 0.000 0.882 369 D CB 0.153 41.042 40.800 0.148 0.000 1.038 369 D HN 0.269 nan 8.370 nan 0.000 0.499 370 I N 3.118 123.777 120.570 0.148 0.000 2.354 370 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 370 I C 0.475 176.620 176.117 0.046 0.000 0.989 370 I CA -0.507 60.842 61.300 0.081 0.000 1.188 370 I CB 0.990 39.023 38.000 0.055 0.000 1.342 370 I HN 0.400 nan 8.210 nan 0.000 0.457 371 S N 5.363 121.076 115.700 0.023 0.000 2.671 371 S HA 0.501 4.971 4.470 -0.000 0.000 0.277 371 S C -0.749 173.845 174.600 -0.011 0.000 1.165 371 S CA -1.079 57.127 58.200 0.010 0.000 0.822 371 S CB 2.009 65.224 63.200 0.024 0.000 1.150 371 S HN 0.623 nan 8.310 nan 0.000 0.479 372 N N 0.408 119.097 118.700 -0.018 0.000 2.441 372 N HA 0.082 4.822 4.740 -0.000 0.000 0.251 372 N C 0.590 176.093 175.510 -0.011 0.000 1.242 372 N CA -0.400 52.636 53.050 -0.023 0.000 0.898 372 N CB 0.879 39.346 38.487 -0.033 0.000 1.100 372 N HN 0.768 nan 8.380 nan 0.000 0.443 373 I N -0.252 120.311 120.570 -0.011 0.000 2.585 373 I HA -0.039 4.131 4.170 -0.000 0.000 0.254 373 I C -0.121 176.012 176.117 0.028 0.000 1.129 373 I CA 0.271 61.571 61.300 0.001 0.000 1.455 373 I CB 0.078 38.070 38.000 -0.014 0.000 1.111 373 I HN 0.431 nan 8.210 nan 0.000 0.433 374 D N 1.126 121.542 120.400 0.026 0.000 2.362 374 D HA 0.133 4.772 4.640 -0.000 0.000 0.242 374 D C 0.768 177.090 176.300 0.035 0.000 1.132 374 D CA 0.060 54.088 54.000 0.047 0.000 0.907 374 D CB 1.070 41.888 40.800 0.030 0.000 1.195 374 D HN 0.192 nan 8.370 nan 0.000 0.429 375 R N 0.567 121.079 120.500 0.020 0.000 2.444 375 R HA 0.336 4.675 4.340 -0.000 0.000 0.201 375 R C 0.315 176.486 176.300 -0.216 0.000 0.861 375 R CA -0.122 55.938 56.100 -0.066 0.000 1.034 375 R CB 0.877 31.159 30.300 -0.031 0.000 1.347 375 R HN 0.445 nan 8.270 nan 0.000 0.659 376 I N -0.695 119.660 120.570 -0.359 0.000 2.730 376 I HA 0.401 4.571 4.170 -0.000 0.000 0.298 376 I C 0.341 176.249 176.117 -0.348 0.000 1.089 376 I CA 0.266 61.220 61.300 -0.577 0.000 1.041 376 I CB 2.135 39.470 38.000 -1.108 0.000 1.235 376 I HN 0.481 nan 8.210 nan 0.000 0.423 377 G N 5.089 113.868 108.800 -0.035 0.000 2.225 377 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 377 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 377 G C 0.266 175.231 174.900 0.108 0.000 0.988 377 G CA -0.106 45.080 45.100 0.144 0.000 0.625 377 G HN 0.585 nan 8.290 nan 0.000 0.527 378 R N 0.596 121.152 120.500 0.092 0.000 2.670 378 R HA 0.613 4.953 4.340 -0.000 0.000 0.289 378 R C 0.582 176.923 176.300 0.068 0.000 0.965 378 R CA 0.099 56.230 56.100 0.051 0.000 0.899 378 R CB 1.708 32.032 30.300 0.039 0.000 1.173 378 R HN 0.432 nan 8.270 nan 0.000 0.456 379 S N 0.812 116.519 115.700 0.012 0.000 2.624 379 S HA 0.071 4.541 4.470 -0.000 0.000 0.263 379 S C 0.744 175.400 174.600 0.094 0.000 1.287 379 S CA -0.491 57.730 58.200 0.036 0.000 0.990 379 S CB 1.223 64.435 63.200 0.020 0.000 0.950 379 S HN 0.591 nan 8.310 nan 0.000 0.561 380 E N 0.756 121.063 120.200 0.178 0.000 2.077 380 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 380 E C 1.996 178.582 176.600 -0.023 0.000 0.989 380 E CA 1.290 57.794 56.400 0.173 0.000 0.800 380 E CB -0.708 29.255 29.700 0.437 0.000 0.746 380 E HN 0.485 nan 8.360 nan 0.000 0.452 381 V N 1.214 121.196 119.914 0.113 0.000 2.252 381 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 381 V C 2.045 178.080 176.094 -0.097 0.000 1.056 381 V CA 2.249 64.555 62.300 0.010 0.000 1.022 381 V CB -0.524 31.395 31.823 0.160 0.000 0.641 381 V HN 0.292 nan 8.190 nan 0.000 0.445 382 E N -0.196 119.985 120.200 -0.031 0.000 2.085 382 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 382 E C 2.217 178.776 176.600 -0.069 0.000 0.994 382 E CA 1.453 57.831 56.400 -0.036 0.000 0.801 382 E CB -0.246 29.450 29.700 -0.007 0.000 0.743 382 E HN 0.515 nan 8.360 nan 0.000 0.453 383 L N 0.302 121.474 121.223 -0.086 0.000 2.046 383 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 383 L C 2.432 179.201 176.870 -0.168 0.000 1.077 383 L CA 0.696 55.476 54.840 -0.100 0.000 0.747 383 L CB -0.299 41.710 42.059 -0.083 0.000 0.896 383 L HN 0.066 nan 8.230 nan 0.000 0.432 384 V N -0.712 119.013 119.914 -0.315 0.000 2.453 384 V HA -0.253 3.866 4.120 -0.000 0.000 0.247 384 V C 2.397 178.370 176.094 -0.201 0.000 1.048 384 V CA 1.472 63.537 62.300 -0.392 0.000 1.049 384 V CB -0.332 30.938 31.823 -0.922 0.000 0.672 384 V HN 0.406 nan 8.190 nan 0.000 0.457 385 Q N 0.314 120.019 119.800 -0.159 0.000 2.084 385 Q HA -0.154 4.185 4.340 -0.000 0.000 0.202 385 Q C 1.955 177.943 176.000 -0.020 0.000 0.978 385 Q CA 1.910 57.674 55.803 -0.065 0.000 0.844 385 Q CB -0.485 28.227 28.738 -0.044 0.000 0.898 385 Q HN 0.630 nan 8.270 nan 0.000 0.426 386 I N -0.831 119.718 120.570 -0.035 0.000 2.208 386 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 386 I C 1.901 178.020 176.117 0.004 0.000 1.097 386 I CA 0.925 62.214 61.300 -0.018 0.000 1.363 386 I CB -0.136 37.845 38.000 -0.032 0.000 1.051 386 I HN 0.078 nan 8.210 nan 0.000 0.413 387 V N 0.802 120.718 119.914 0.005 0.000 2.379 387 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 387 V C 2.221 178.426 176.094 0.186 0.000 1.044 387 V CA 1.595 63.925 62.300 0.051 0.000 1.036 387 V CB -0.315 31.528 31.823 0.034 0.000 0.664 387 V HN 0.309 nan 8.190 nan 0.000 0.453 388 I N 0.182 120.892 120.570 0.233 0.000 2.142 388 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 388 I C 2.353 178.661 176.117 0.318 0.000 1.078 388 I CA 1.711 63.245 61.300 0.389 0.000 1.343 388 I CB -0.512 37.547 38.000 0.098 0.000 1.046 388 I HN 0.306 nan 8.210 nan 0.000 0.405 389 D N 0.953 121.447 120.400 0.157 0.000 2.084 389 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 389 D C 2.184 178.566 176.300 0.136 0.000 0.990 389 D CA 1.741 55.819 54.000 0.130 0.000 0.826 389 D CB -0.689 40.153 40.800 0.069 0.000 0.971 389 D HN 0.406 nan 8.370 nan 0.000 0.453 390 G N 0.645 109.494 108.800 0.082 0.000 2.418 390 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 390 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 390 G C 1.860 176.796 174.900 0.061 0.000 1.158 390 G CA 0.764 45.895 45.100 0.052 0.000 0.771 390 G HN 0.243 nan 8.290 nan 0.000 0.545 391 V N 1.267 121.175 119.914 -0.009 0.000 2.453 391 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 391 V C 2.616 178.642 176.094 -0.114 0.000 1.048 391 V CA 1.559 63.741 62.300 -0.196 0.000 1.049 391 V CB -0.424 30.979 31.823 -0.699 0.000 0.672 391 V HN 0.286 nan 8.190 nan 0.000 0.457 392 N N -0.433 118.321 118.700 0.090 0.000 2.149 392 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 392 N C 1.761 177.311 175.510 0.066 0.000 1.019 392 N CA 1.706 54.840 53.050 0.140 0.000 0.857 392 N CB -0.407 38.213 38.487 0.221 0.000 0.997 392 N HN 0.621 nan 8.380 nan 0.000 0.426 393 Y N 1.601 121.899 120.300 -0.003 0.000 2.145 393 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 393 Y C 2.263 178.137 175.900 -0.043 0.000 1.145 393 Y CA 1.311 59.400 58.100 -0.018 0.000 1.148 393 Y CB -0.299 38.154 38.460 -0.012 0.000 0.981 393 Y HN -0.018 nan 8.280 nan 0.000 0.507 394 L N -1.417 119.883 121.223 0.127 0.000 2.046 394 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 394 L C 2.288 179.089 176.870 -0.116 0.000 1.077 394 L CA 1.084 55.952 54.840 0.046 0.000 0.747 394 L CB -0.829 41.268 42.059 0.063 0.000 0.896 394 L HN 0.102 nan 8.230 nan 0.000 0.432 395 V N -0.238 119.575 119.914 -0.169 0.000 2.358 395 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 395 V C 2.394 178.261 176.094 -0.379 0.000 1.047 395 V CA 2.092 64.191 62.300 -0.335 0.000 1.035 395 V CB -0.421 31.253 31.823 -0.249 0.000 0.658 395 V HN 0.545 nan 8.190 nan 0.000 0.452 396 D N -1.352 118.887 120.400 -0.268 0.000 2.123 396 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 396 D C 2.158 178.283 176.300 -0.292 0.000 0.992 396 D CA 1.905 55.740 54.000 -0.275 0.000 0.833 396 D CB -0.406 40.211 40.800 -0.305 0.000 0.954 396 D HN 0.658 nan 8.370 nan 0.000 0.455 397 C N 0.071 119.186 119.300 -0.309 0.000 2.432 397 C HA -0.007 4.453 4.460 -0.000 0.000 0.277 397 C C 2.619 177.503 174.990 -0.175 0.000 1.249 397 C CA 1.247 60.134 59.018 -0.218 0.000 1.725 397 C CB -1.346 26.320 27.740 -0.123 0.000 2.028 397 C HN 0.584 nan 8.230 nan 0.000 0.477 398 E N 1.151 121.223 120.200 -0.212 0.000 2.153 398 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 398 E C 2.061 178.548 176.600 -0.189 0.000 0.988 398 E CA 1.406 57.686 56.400 -0.200 0.000 0.811 398 E CB -0.185 29.368 29.700 -0.246 0.000 0.746 398 E HN 0.515 nan 8.360 nan 0.000 0.466 399 K N -0.023 120.214 120.400 -0.273 0.000 2.057 399 K HA -0.094 4.225 4.320 -0.000 0.000 0.206 399 K C 2.145 178.694 176.600 -0.084 0.000 1.050 399 K CA 1.437 57.631 56.287 -0.155 0.000 0.935 399 K CB -0.019 32.379 32.500 -0.170 0.000 0.715 399 K HN 0.025 nan 8.250 nan 0.000 0.439 400 K N 0.553 120.889 120.400 -0.107 0.000 2.103 400 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 400 K C 1.042 177.609 176.600 -0.056 0.000 1.052 400 K CA 0.516 56.757 56.287 -0.077 0.000 0.945 400 K CB -0.084 32.361 32.500 -0.093 0.000 0.722 400 K HN 0.027 nan 8.250 nan 0.000 0.443 409 V N 4.983 124.958 119.914 0.103 0.000 2.479 409 V HA 0.108 4.228 4.120 -0.000 0.000 0.281 409 V C -1.510 174.591 176.094 0.012 0.000 1.031 409 V CA -0.794 61.543 62.300 0.061 0.000 1.038 409 V CB 0.088 31.923 31.823 0.021 0.000 0.981 409 V HN 0.597 nan 8.190 nan 0.000 0.478 410 P HA 0.326 nan 4.420 nan 0.000 0.274 410 P C -2.775 174.444 177.300 -0.134 0.000 1.237 410 P CA -1.843 61.137 63.100 -0.199 0.000 0.793 410 P CB 0.213 31.547 31.700 -0.610 0.000 0.977 411 P HA 0.248 nan 4.420 nan 0.000 0.271 411 P C -2.400 174.850 177.300 -0.083 0.000 1.218 411 P CA -1.508 61.553 63.100 -0.065 0.000 0.780 411 P CB -1.261 30.415 31.700 -0.040 0.000 0.901 412 P HA 0.003 nan 4.420 nan 0.000 0.263 412 P C -0.040 177.226 177.300 -0.057 0.000 1.175 412 P CA 0.537 63.599 63.100 -0.063 0.000 0.761 412 P CB 0.216 31.891 31.700 -0.043 0.000 0.794 413 L N 5.466 126.652 121.223 -0.062 0.000 2.473 413 L HA 0.195 4.535 4.340 -0.000 0.000 0.268 413 L C -1.710 175.144 176.870 -0.027 0.000 1.215 413 L CA -1.860 52.953 54.840 -0.046 0.000 0.823 413 L CB -0.391 41.640 42.059 -0.047 0.000 1.099 413 L HN 0.257 nan 8.230 nan 0.000 0.483 414 P HA 0.013 nan 4.420 nan 0.000 0.264 414 P C -0.980 176.321 177.300 0.001 0.000 1.183 414 P CA -0.023 63.075 63.100 -0.005 0.000 0.763 414 P CB 0.489 32.190 31.700 0.000 0.000 0.807 415 Q N 0.000 119.805 119.800 0.008 0.000 2.315 415 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 415 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 415 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 415 Q HN 0.000 nan 8.270 nan 0.000 0.481