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 1vf7_1_H DATA FIRST_RESID 23 DATA SEQUENCE QTVTLNTELP GRTNAFRIAE VRPQVNGIIL KRLFKEGSDV KAGQQLYQID DATA SEQUENCE PATYEADYQS AQANLASTQE QAQRYKLLVA DQAVSKQQYA DANAAYLQSK DATA SEQUENCE AAVEQARINL RYTKVLSPIS GRIGRSAVTE GALVTNGQAN AMATVQQLDP DATA SEQUENCE IYVDVTQPST ALLRLRRELA SGQLERAGDN AAKVSLKLED GSQYPLEGRL DATA SEQUENCE EFSEVSVDEG TGSVTIRAVF PNPNNELLPG MFVHAQLQEG V 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 23 Q HA 0.000 nan 4.340 nan 0.000 0.214 23 Q C 0.000 176.003 176.000 0.004 0.000 1.003 23 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 23 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 24 T N -0.530 114.027 114.554 0.005 0.000 2.875 24 T HA 0.783 5.133 4.350 -0.000 0.000 0.284 24 T C 0.206 174.910 174.700 0.007 0.000 0.995 24 T CA -0.435 61.669 62.100 0.006 0.000 1.060 24 T CB 1.286 70.158 68.868 0.006 0.000 0.967 24 T HN 0.507 nan 8.240 nan 0.000 0.476 25 V N -0.185 119.734 119.914 0.008 0.000 3.046 25 V HA 0.551 4.671 4.120 -0.000 0.000 0.316 25 V C 1.145 177.245 176.094 0.011 0.000 1.104 25 V CA -0.966 61.340 62.300 0.009 0.000 1.006 25 V CB 0.991 32.820 31.823 0.009 0.000 1.058 25 V HN 0.917 nan 8.190 nan 0.000 0.440 26 T N 0.687 115.248 114.554 0.012 0.000 2.614 26 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 26 T C 0.894 175.605 174.700 0.018 0.000 1.055 26 T CA 1.633 63.742 62.100 0.014 0.000 1.162 26 T CB -0.569 68.307 68.868 0.013 0.000 0.863 26 T HN 0.826 nan 8.240 nan 0.000 0.414 27 L N 1.906 123.140 121.223 0.019 0.000 3.386 27 L HA -0.128 4.212 4.340 -0.000 0.000 0.686 27 L C -0.779 176.109 176.870 0.030 0.000 1.220 27 L CA -0.496 54.357 54.840 0.023 0.000 1.165 27 L CB -1.421 40.650 42.059 0.021 0.000 1.730 27 L HN 0.385 nan 8.230 nan 0.000 0.889 28 N N 0.438 119.157 118.700 0.032 0.000 2.471 28 N HA 0.721 5.461 4.740 -0.000 0.000 0.288 28 N C -0.146 175.392 175.510 0.047 0.000 1.220 28 N CA -0.414 52.661 53.050 0.041 0.000 0.893 28 N CB 1.881 40.390 38.487 0.036 0.000 1.256 28 N HN 0.138 nan 8.380 nan 0.000 0.534 29 T N 0.185 114.775 114.554 0.060 0.000 2.921 29 T HA 0.268 4.618 4.350 -0.000 0.000 0.297 29 T C -0.897 173.853 174.700 0.084 0.000 1.013 29 T CA -0.558 61.583 62.100 0.069 0.000 0.990 29 T CB 1.890 70.804 68.868 0.076 0.000 1.023 29 T HN 0.409 nan 8.240 nan 0.000 0.447 30 E N 3.021 123.274 120.200 0.088 0.000 2.165 30 E HA 0.572 4.922 4.350 -0.000 0.000 0.266 30 E C -1.310 175.385 176.600 0.160 0.000 0.889 30 E CA -0.655 55.818 56.400 0.121 0.000 0.756 30 E CB 0.727 30.481 29.700 0.090 0.000 1.131 30 E HN 0.453 nan 8.360 nan 0.000 0.411 31 L N 6.894 128.220 121.223 0.171 0.000 2.319 31 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 31 L C -2.233 174.687 176.870 0.084 0.000 1.005 31 L CA -2.182 52.736 54.840 0.130 0.000 0.828 31 L CB 1.571 43.688 42.059 0.097 0.000 1.227 31 L HN 0.433 nan 8.230 nan 0.000 0.415 32 P HA 0.294 nan 4.420 nan 0.000 0.282 32 P C -0.349 176.869 177.300 -0.136 0.000 1.262 32 P CA 0.046 62.996 63.100 -0.249 0.000 0.773 32 P CB 1.785 33.416 31.700 -0.116 0.000 0.879 33 G N 2.997 111.694 108.800 -0.172 0.000 2.725 33 G HA2 0.672 4.632 3.960 -0.000 0.000 0.288 33 G HA3 0.672 4.632 3.960 -0.000 0.000 0.288 33 G C -1.355 173.478 174.900 -0.112 0.000 1.399 33 G CA -0.946 44.099 45.100 -0.092 0.000 0.859 33 G HN 0.349 nan 8.290 nan 0.000 0.479 34 R N 0.058 120.491 120.500 -0.111 0.000 2.599 34 R HA 0.537 4.877 4.340 -0.000 0.000 0.295 34 R C 0.078 176.320 176.300 -0.096 0.000 0.963 34 R CA -0.593 55.404 56.100 -0.171 0.000 0.883 34 R CB 1.822 31.969 30.300 -0.255 0.000 1.171 34 R HN 0.736 nan 8.270 nan 0.000 0.450 35 T N 0.391 114.885 114.554 -0.101 0.000 2.930 35 T HA 0.233 4.583 4.350 -0.000 0.000 0.306 35 T C 0.121 174.814 174.700 -0.011 0.000 1.045 35 T CA -0.514 61.564 62.100 -0.037 0.000 1.134 35 T CB 0.499 69.331 68.868 -0.060 0.000 0.961 35 T HN 0.392 nan 8.240 nan 0.000 0.545 36 N N 0.275 119.018 118.700 0.072 0.000 2.277 36 N HA 0.495 5.235 4.740 -0.000 0.000 0.286 36 N C -0.690 174.909 175.510 0.147 0.000 1.140 36 N CA -0.630 52.480 53.050 0.100 0.000 0.799 36 N CB 2.276 40.838 38.487 0.126 0.000 1.596 36 N HN 0.987 nan 8.380 nan 0.000 0.473 37 A N 1.135 124.017 122.820 0.103 0.000 2.540 37 A HA 0.025 4.345 4.320 -0.000 0.000 0.239 37 A C 0.948 178.623 177.584 0.151 0.000 1.061 37 A CA 0.089 52.183 52.037 0.094 0.000 0.758 37 A CB -0.252 18.782 19.000 0.058 0.000 0.991 37 A HN 0.700 nan 8.150 nan 0.000 0.502 38 F N 1.503 121.351 119.950 -0.169 0.000 2.234 38 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 38 F C 1.302 177.057 175.800 -0.074 0.000 1.087 38 F CA 1.842 59.617 58.000 -0.375 0.000 1.340 38 F CB 0.071 38.821 39.000 -0.416 0.000 1.031 38 F HN 0.630 nan 8.300 nan 0.000 0.500 39 R N -0.152 120.362 120.500 0.023 0.000 2.594 39 R HA 0.476 4.816 4.340 -0.000 0.000 0.265 39 R C -1.841 174.464 176.300 0.008 0.000 1.070 39 R CA -0.572 55.512 56.100 -0.027 0.000 0.909 39 R CB 1.605 31.884 30.300 -0.034 0.000 1.243 39 R HN -0.016 nan 8.270 nan 0.000 0.455 40 I N 2.214 122.781 120.570 -0.005 0.000 2.545 40 I HA 0.653 4.823 4.170 -0.000 0.000 0.292 40 I C -0.565 175.543 176.117 -0.015 0.000 1.040 40 I CA -0.856 60.440 61.300 -0.006 0.000 1.068 40 I CB 2.207 40.205 38.000 -0.003 0.000 1.251 40 I HN 0.656 nan 8.210 nan 0.000 0.424 41 A N 4.902 127.712 122.820 -0.018 0.000 2.422 41 A HA 0.656 4.976 4.320 -0.000 0.000 0.302 41 A C -0.809 176.762 177.584 -0.021 0.000 1.041 41 A CA -0.632 51.392 52.037 -0.021 0.000 0.708 41 A CB 1.269 20.256 19.000 -0.021 0.000 1.257 41 A HN 0.736 nan 8.150 nan 0.000 0.414 42 E N 0.238 120.426 120.200 -0.020 0.000 2.318 42 E HA 0.499 4.848 4.350 -0.000 0.000 0.265 42 E C -0.990 175.601 176.600 -0.016 0.000 1.069 42 E CA -0.648 55.742 56.400 -0.018 0.000 0.893 42 E CB 1.731 31.418 29.700 -0.021 0.000 1.076 42 E HN 0.322 nan 8.360 nan 0.000 0.414 43 V N 2.807 122.718 119.914 -0.005 0.000 2.357 43 V HA 0.354 4.474 4.120 -0.000 0.000 0.281 43 V C -0.315 175.764 176.094 -0.025 0.000 1.015 43 V CA -0.602 61.705 62.300 0.012 0.000 0.827 43 V CB 0.782 32.654 31.823 0.081 0.000 1.018 43 V HN 0.554 nan 8.190 nan 0.000 0.432 44 R N 4.850 125.316 120.500 -0.057 0.000 2.803 44 R HA 0.657 4.997 4.340 -0.000 0.000 0.276 44 R C -2.775 173.448 176.300 -0.128 0.000 0.978 44 R CA -1.789 54.253 56.100 -0.097 0.000 0.939 44 R CB 2.801 33.047 30.300 -0.090 0.000 1.179 44 R HN 0.418 nan 8.270 nan 0.000 0.472 45 P HA 0.159 nan 4.420 nan 0.000 0.284 45 P C -0.877 176.298 177.300 -0.208 0.000 1.253 45 P CA -0.339 62.662 63.100 -0.165 0.000 0.800 45 P CB 1.391 33.001 31.700 -0.150 0.000 0.961 46 Q N 0.531 120.151 119.800 -0.299 0.000 2.281 46 Q HA 0.181 4.521 4.340 -0.000 0.000 0.215 46 Q C 0.404 176.211 176.000 -0.321 0.000 0.867 46 Q CA 0.047 55.568 55.803 -0.471 0.000 0.940 46 Q CB 0.779 28.858 28.738 -1.098 0.000 1.111 46 Q HN 0.413 nan 8.270 nan 0.000 0.513 47 V N -1.322 118.473 119.914 -0.198 0.000 2.769 47 V HA 0.503 4.623 4.120 -0.000 0.000 0.312 47 V C -0.453 175.622 176.094 -0.031 0.000 1.061 47 V CA -1.451 60.769 62.300 -0.134 0.000 0.931 47 V CB 1.737 33.327 31.823 -0.389 0.000 1.010 47 V HN -0.004 nan 8.190 nan 0.000 0.433 48 N N 1.801 120.550 118.700 0.082 0.000 2.479 48 N HA 0.677 5.417 4.740 -0.000 0.000 0.257 48 N C 0.383 176.014 175.510 0.201 0.000 1.232 48 N CA 1.091 54.211 53.050 0.115 0.000 0.920 48 N CB 1.287 39.843 38.487 0.116 0.000 1.105 48 N HN 1.471 nan 8.380 nan 0.000 0.444 49 G N -0.326 108.545 108.800 0.119 0.000 2.356 49 G HA2 0.174 4.134 3.960 -0.000 0.000 0.288 49 G HA3 0.174 4.134 3.960 -0.000 0.000 0.288 49 G C -1.763 173.177 174.900 0.067 0.000 1.302 49 G CA -0.760 44.418 45.100 0.131 0.000 0.887 49 G HN 0.326 nan 8.290 nan 0.000 0.521 50 I N 0.941 121.553 120.570 0.069 0.000 2.493 50 I HA 0.385 4.555 4.170 -0.000 0.000 0.298 50 I C 0.160 176.307 176.117 0.051 0.000 0.998 50 I CA -0.953 60.374 61.300 0.045 0.000 1.137 50 I CB 1.609 39.633 38.000 0.040 0.000 1.310 50 I HN 0.328 nan 8.210 nan 0.000 0.445 51 I N 6.283 126.878 120.570 0.041 0.000 2.471 51 I HA -0.047 4.123 4.170 -0.000 0.000 0.294 51 I C 1.285 177.447 176.117 0.075 0.000 1.123 51 I CA 0.023 61.365 61.300 0.069 0.000 1.336 51 I CB 0.060 38.110 38.000 0.083 0.000 1.430 51 I HN 0.532 nan 8.210 nan 0.000 0.533 52 L N 6.821 128.093 121.223 0.081 0.000 1.994 52 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 52 L C 0.925 177.831 176.870 0.060 0.000 1.071 52 L CA 1.975 56.854 54.840 0.065 0.000 0.745 52 L CB -0.182 41.916 42.059 0.065 0.000 0.892 52 L HN 0.550 nan 8.230 nan 0.000 0.431 53 K N -1.859 118.592 120.400 0.084 0.000 2.527 53 K HA 0.395 4.715 4.320 -0.000 0.000 0.260 53 K C -0.984 175.658 176.600 0.069 0.000 0.937 53 K CA -0.659 55.657 56.287 0.050 0.000 0.826 53 K CB 2.280 34.793 32.500 0.022 0.000 1.359 53 K HN -0.183 nan 8.250 nan 0.000 0.434 54 R N 2.675 123.137 120.500 -0.063 0.000 2.255 54 R HA 0.291 4.631 4.340 -0.000 0.000 0.326 54 R C -0.425 175.687 176.300 -0.313 0.000 0.986 54 R CA -0.365 55.543 56.100 -0.319 0.000 0.847 54 R CB 0.516 30.543 30.300 -0.456 0.000 1.111 54 R HN 0.421 nan 8.270 nan 0.000 0.452 55 L N 5.907 126.976 121.223 -0.258 0.000 2.769 55 L HA 0.299 4.639 4.340 -0.000 0.000 0.240 55 L C -0.550 176.295 176.870 -0.042 0.000 1.163 55 L CA 0.102 54.881 54.840 -0.101 0.000 0.962 55 L CB -0.163 41.889 42.059 -0.012 0.000 1.258 55 L HN 0.476 nan 8.230 nan 0.000 0.513 56 F N -2.681 117.167 119.950 -0.170 0.000 2.588 56 F HA 0.596 5.123 4.527 -0.000 0.000 0.314 56 F C -0.073 175.667 175.800 -0.100 0.000 1.069 56 F CA -1.612 56.311 58.000 -0.129 0.000 0.931 56 F CB 1.002 39.912 39.000 -0.150 0.000 1.260 56 F HN -0.298 nan 8.300 nan 0.000 0.465 57 K N 2.556 123.006 120.400 0.084 0.000 2.297 57 K HA 0.151 4.471 4.320 -0.000 0.000 0.286 57 K C -0.370 176.357 176.600 0.213 0.000 1.053 57 K CA -0.232 56.080 56.287 0.042 0.000 0.940 57 K CB 0.564 33.087 32.500 0.038 0.000 1.019 57 K HN 0.850 nan 8.250 nan 0.000 0.475 58 E N 1.583 121.861 120.200 0.130 0.000 2.452 58 E HA -0.045 4.305 4.350 -0.000 0.000 0.261 58 E C 0.837 177.518 176.600 0.136 0.000 0.987 58 E CA 0.864 57.392 56.400 0.214 0.000 0.926 58 E CB 0.269 30.042 29.700 0.121 0.000 0.934 58 E HN 0.943 nan 8.360 nan 0.000 0.452 59 G N 2.476 111.349 108.800 0.122 0.000 2.189 59 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 59 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 59 G C 0.401 175.332 174.900 0.051 0.000 0.975 59 G CA 0.574 45.713 45.100 0.065 0.000 0.644 59 G HN 0.646 nan 8.290 nan 0.000 0.537 60 S N -0.367 115.376 115.700 0.072 0.000 2.655 60 S HA 0.578 5.048 4.470 -0.000 0.000 0.265 60 S C -0.355 174.250 174.600 0.009 0.000 1.240 60 S CA -0.465 57.762 58.200 0.046 0.000 0.986 60 S CB 1.522 64.763 63.200 0.068 0.000 0.985 60 S HN 0.108 nan 8.310 nan 0.000 0.562 61 D N 1.109 121.511 120.400 0.003 0.000 2.280 61 D HA 0.459 5.099 4.640 -0.000 0.000 0.243 61 D C -0.122 176.164 176.300 -0.023 0.000 1.129 61 D CA -0.281 53.711 54.000 -0.014 0.000 0.848 61 D CB 1.329 42.124 40.800 -0.008 0.000 1.107 61 D HN 0.572 nan 8.370 nan 0.000 0.471 62 V N -0.048 119.837 119.914 -0.050 0.000 2.667 62 V HA 0.629 4.749 4.120 -0.000 0.000 0.308 62 V C -0.028 176.040 176.094 -0.043 0.000 1.048 62 V CA -0.929 61.336 62.300 -0.059 0.000 0.928 62 V CB 1.944 33.691 31.823 -0.128 0.000 1.004 62 V HN 0.090 nan 8.190 nan 0.000 0.444 63 K N 2.883 123.265 120.400 -0.030 0.000 2.118 63 K HA 0.754 5.074 4.320 -0.000 0.000 0.264 63 K C 0.339 176.926 176.600 -0.021 0.000 1.000 63 K CA 0.298 56.573 56.287 -0.020 0.000 0.929 63 K CB 1.318 33.812 32.500 -0.011 0.000 1.021 63 K HN 1.201 nan 8.250 nan 0.000 0.463 64 A N 1.383 124.195 122.820 -0.014 0.000 2.548 64 A HA 0.392 4.712 4.320 -0.000 0.000 0.247 64 A C 1.243 178.824 177.584 -0.005 0.000 1.067 64 A CA 0.983 53.014 52.037 -0.010 0.000 0.757 64 A CB -1.089 17.909 19.000 -0.003 0.000 0.996 64 A HN 0.933 nan 8.150 nan 0.000 0.504 65 G N 1.108 109.906 108.800 -0.003 0.000 2.199 65 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 65 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 65 G C 0.383 175.287 174.900 0.006 0.000 0.982 65 G CA 0.620 45.723 45.100 0.004 0.000 0.632 65 G HN 1.633 nan 8.290 nan 0.000 0.529 66 Q N 0.618 120.418 119.800 -0.001 0.000 2.352 66 Q HA 0.483 4.823 4.340 -0.000 0.000 0.260 66 Q C 0.271 176.280 176.000 0.013 0.000 0.976 66 Q CA -0.124 55.681 55.803 0.003 0.000 0.881 66 Q CB 0.648 29.385 28.738 -0.003 0.000 1.235 66 Q HN 0.471 nan 8.270 nan 0.000 0.419 67 Q N 2.933 122.750 119.800 0.028 0.000 2.297 67 Q HA 0.108 4.448 4.340 -0.000 0.000 0.267 67 Q C -0.247 175.788 176.000 0.057 0.000 1.006 67 Q CA -0.038 55.795 55.803 0.051 0.000 0.896 67 Q CB 0.649 29.418 28.738 0.053 0.000 1.186 67 Q HN 0.937 nan 8.270 nan 0.000 0.392 68 L N 3.741 125.011 121.223 0.079 0.000 2.537 68 L HA 0.230 4.570 4.340 -0.000 0.000 0.224 68 L C -0.397 176.388 176.870 -0.142 0.000 1.065 68 L CA 0.055 54.922 54.840 0.046 0.000 0.860 68 L CB 0.386 42.403 42.059 -0.071 0.000 1.086 68 L HN 0.592 nan 8.230 nan 0.000 0.482 69 Y N -1.005 119.388 120.300 0.156 0.000 2.562 69 Y HA 0.534 5.084 4.550 -0.000 0.000 0.345 69 Y C -0.470 175.469 175.900 0.065 0.000 1.045 69 Y CA -1.163 57.001 58.100 0.107 0.000 1.028 69 Y CB 1.571 40.091 38.460 0.100 0.000 1.297 69 Y HN -0.232 nan 8.280 nan 0.000 0.463 70 Q N 2.266 122.199 119.800 0.223 0.000 2.381 70 Q HA 0.516 4.856 4.340 -0.000 0.000 0.263 70 Q C -1.490 174.591 176.000 0.134 0.000 1.030 70 Q CA -0.179 55.708 55.803 0.140 0.000 0.772 70 Q CB 0.659 29.452 28.738 0.092 0.000 1.232 70 Q HN 0.651 nan 8.270 nan 0.000 0.476 71 I N 2.673 123.310 120.570 0.111 0.000 2.556 71 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 71 I C 0.379 176.563 176.117 0.112 0.000 1.114 71 I CA -0.377 60.979 61.300 0.093 0.000 1.418 71 I CB 0.600 38.637 38.000 0.061 0.000 1.394 71 I HN 0.634 nan 8.210 nan 0.000 0.552 72 D N 9.574 130.042 120.400 0.114 0.000 2.659 72 D HA -0.064 4.576 4.640 -0.000 0.000 0.264 72 D C -1.379 175.022 176.300 0.168 0.000 1.329 72 D CA -0.959 53.108 54.000 0.112 0.000 0.963 72 D CB 0.712 41.565 40.800 0.089 0.000 1.136 72 D HN 0.272 nan 8.370 nan 0.000 0.554 73 P HA 0.055 nan 4.420 nan 0.000 0.245 73 P C 0.964 178.361 177.300 0.162 0.000 1.206 73 P CA 0.196 63.410 63.100 0.190 0.000 0.781 73 P CB 0.313 32.081 31.700 0.113 0.000 0.994 74 A N 0.455 123.331 122.820 0.093 0.000 1.865 74 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 74 A C 2.491 180.083 177.584 0.013 0.000 1.191 74 A CA 2.662 54.727 52.037 0.048 0.000 0.623 74 A CB -1.963 17.054 19.000 0.027 0.000 0.826 74 A HN 0.240 nan 8.150 nan 0.000 0.444 75 T N -1.921 112.600 114.554 -0.054 0.000 2.788 75 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 75 T C 1.697 176.273 174.700 -0.206 0.000 1.044 75 T CA 1.809 63.811 62.100 -0.163 0.000 1.139 75 T CB -0.423 68.281 68.868 -0.275 0.000 0.867 75 T HN 0.561 nan 8.240 nan 0.000 0.454 76 Y N 0.815 121.140 120.300 0.041 0.000 2.293 76 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 76 Y C 2.586 178.529 175.900 0.072 0.000 1.137 76 Y CA 1.210 59.340 58.100 0.049 0.000 1.202 76 Y CB -0.177 38.304 38.460 0.034 0.000 0.990 76 Y HN 0.256 nan 8.280 nan 0.000 0.537 77 E N 0.533 120.841 120.200 0.180 0.000 2.106 77 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 77 E C 2.201 178.893 176.600 0.154 0.000 0.984 77 E CA 1.143 57.643 56.400 0.167 0.000 0.806 77 E CB -0.265 29.505 29.700 0.117 0.000 0.750 77 E HN 0.336 nan 8.360 nan 0.000 0.458 78 A N 0.800 123.670 122.820 0.084 0.000 1.873 78 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 78 A C 1.857 179.471 177.584 0.049 0.000 1.186 78 A CA 1.740 53.804 52.037 0.044 0.000 0.616 78 A CB -0.644 18.357 19.000 0.002 0.000 0.823 78 A HN 0.243 nan 8.150 nan 0.000 0.442 79 D N -1.493 118.942 120.400 0.059 0.000 2.117 79 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 79 D C 1.687 178.061 176.300 0.123 0.000 0.987 79 D CA 1.630 55.673 54.000 0.073 0.000 0.829 79 D CB -0.500 40.351 40.800 0.084 0.000 0.961 79 D HN 0.581 nan 8.370 nan 0.000 0.460 80 Y N 1.399 121.725 120.300 0.043 0.000 2.114 80 Y HA -0.230 4.320 4.550 0.000 0.000 0.284 80 Y C 2.385 178.297 175.900 0.020 0.000 1.143 80 Y CA 1.685 59.806 58.100 0.034 0.000 1.135 80 Y CB -0.364 38.121 38.460 0.042 0.000 0.980 80 Y HN -0.159 nan 8.280 nan 0.000 0.499 81 Q N -0.294 119.477 119.800 -0.048 0.000 2.167 81 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 81 Q C 2.666 178.592 176.000 -0.123 0.000 0.970 81 Q CA 1.633 57.352 55.803 -0.139 0.000 0.855 81 Q CB -0.516 28.222 28.738 -0.001 0.000 0.911 81 Q HN 0.462 nan 8.270 nan 0.000 0.438 82 S N -0.860 114.800 115.700 -0.067 0.000 2.371 82 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 82 S C 1.925 176.482 174.600 -0.072 0.000 1.029 82 S CA 1.023 59.192 58.200 -0.052 0.000 0.978 82 S CB -0.314 62.872 63.200 -0.023 0.000 0.833 82 S HN 0.457 nan 8.310 nan 0.000 0.466 83 A N 1.222 123.990 122.820 -0.086 0.000 1.940 83 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 83 A C 2.192 179.692 177.584 -0.140 0.000 1.176 83 A CA 1.581 53.562 52.037 -0.094 0.000 0.631 83 A CB -0.690 18.273 19.000 -0.063 0.000 0.814 83 A HN 0.721 nan 8.150 nan 0.000 0.446 84 Q N -0.916 118.742 119.800 -0.237 0.000 2.297 84 Q HA -0.006 4.334 4.340 -0.000 0.000 0.204 84 Q C 2.313 178.243 176.000 -0.116 0.000 0.962 84 Q CA 1.041 56.711 55.803 -0.221 0.000 0.879 84 Q CB -0.244 28.289 28.738 -0.341 0.000 0.947 84 Q HN 0.706 nan 8.270 nan 0.000 0.462 85 A N 1.560 124.322 122.820 -0.096 0.000 1.874 85 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 85 A C 1.857 179.419 177.584 -0.036 0.000 1.189 85 A CA 1.421 53.425 52.037 -0.055 0.000 0.615 85 A CB -0.629 18.343 19.000 -0.047 0.000 0.830 85 A HN 0.359 nan 8.150 nan 0.000 0.443 86 N N -0.201 118.476 118.700 -0.039 0.000 2.149 86 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 86 N C 1.541 177.045 175.510 -0.011 0.000 1.019 86 N CA 1.722 54.757 53.050 -0.026 0.000 0.857 86 N CB -0.337 38.132 38.487 -0.030 0.000 0.997 86 N HN 0.331 nan 8.380 nan 0.000 0.426 87 L N 0.169 121.380 121.223 -0.020 0.000 2.056 87 L HA 0.157 4.497 4.340 -0.000 0.000 0.207 87 L C 2.135 179.038 176.870 0.056 0.000 1.078 87 L CA 1.845 56.696 54.840 0.019 0.000 0.749 87 L CB -1.062 40.989 42.059 -0.012 0.000 0.901 87 L HN 0.219 nan 8.230 nan 0.000 0.433 88 A N -1.161 121.669 122.820 0.017 0.000 1.902 88 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 88 A C 2.521 180.119 177.584 0.023 0.000 1.181 88 A CA 2.065 54.114 52.037 0.020 0.000 0.623 88 A CB -1.126 17.873 19.000 -0.002 0.000 0.818 88 A HN 0.620 nan 8.150 nan 0.000 0.443 89 S N -0.177 115.531 115.700 0.014 0.000 2.329 89 S HA -0.183 4.287 4.470 -0.000 0.000 0.215 89 S C 2.292 176.902 174.600 0.015 0.000 1.031 89 S CA 2.562 60.767 58.200 0.009 0.000 0.985 89 S CB -1.219 61.980 63.200 -0.001 0.000 0.917 89 S HN 0.841 nan 8.310 nan 0.000 0.441 90 T N -0.256 114.318 114.554 0.033 0.000 2.778 90 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 90 T C 2.009 176.766 174.700 0.095 0.000 1.050 90 T CA 1.800 63.934 62.100 0.056 0.000 1.137 90 T CB -0.857 68.061 68.868 0.083 0.000 0.860 90 T HN 0.640 nan 8.240 nan 0.000 0.468 91 Q N 0.921 120.806 119.800 0.143 0.000 2.050 91 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 91 Q C 2.478 178.422 176.000 -0.093 0.000 0.980 91 Q CA 1.804 57.608 55.803 0.002 0.000 0.840 91 Q CB -0.233 28.569 28.738 0.107 0.000 0.898 91 Q HN 0.796 nan 8.270 nan 0.000 0.424 92 E N 0.067 120.252 120.200 -0.025 0.000 2.077 92 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 92 E C 2.073 178.670 176.600 -0.005 0.000 0.989 92 E CA 1.402 57.792 56.400 -0.017 0.000 0.800 92 E CB -0.061 29.640 29.700 0.001 0.000 0.746 92 E HN 0.443 nan 8.360 nan 0.000 0.452 93 Q N 0.028 119.818 119.800 -0.017 0.000 2.061 93 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 93 Q C 2.052 178.040 176.000 -0.019 0.000 0.984 93 Q CA 1.853 57.634 55.803 -0.037 0.000 0.846 93 Q CB -0.246 28.412 28.738 -0.135 0.000 0.902 93 Q HN 0.330 nan 8.270 nan 0.000 0.421 94 A N 0.291 123.077 122.820 -0.057 0.000 1.972 94 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 94 A C 1.961 179.593 177.584 0.080 0.000 1.169 94 A CA 1.524 53.562 52.037 0.002 0.000 0.635 94 A CB -0.500 18.397 19.000 -0.172 0.000 0.810 94 A HN 0.537 nan 8.150 nan 0.000 0.446 95 Q N -1.011 118.773 119.800 -0.026 0.000 2.046 95 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 95 Q C 2.416 178.435 176.000 0.032 0.000 0.975 95 Q CA 1.486 57.276 55.803 -0.022 0.000 0.836 95 Q CB -0.181 28.524 28.738 -0.056 0.000 0.896 95 Q HN 0.720 nan 8.270 nan 0.000 0.428 96 R N -0.235 120.316 120.500 0.085 0.000 2.097 96 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 96 R C 1.989 178.378 176.300 0.148 0.000 1.135 96 R CA 1.852 58.025 56.100 0.122 0.000 0.934 96 R CB -0.355 30.055 30.300 0.184 0.000 0.846 96 R HN 0.243 nan 8.270 nan 0.000 0.431 97 Y N 0.822 121.129 120.300 0.010 0.000 2.333 97 Y HA -0.162 4.388 4.550 0.000 0.000 0.290 97 Y C 2.357 178.157 175.900 -0.166 0.000 1.144 97 Y CA 1.525 59.645 58.100 0.034 0.000 1.228 97 Y CB -0.319 38.269 38.460 0.213 0.000 0.985 97 Y HN 0.192 nan 8.280 nan 0.000 0.542 98 K N 0.169 120.488 120.400 -0.135 0.000 2.057 98 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 98 K C 2.069 178.465 176.600 -0.340 0.000 1.050 98 K CA 1.201 57.146 56.287 -0.569 0.000 0.935 98 K CB -0.375 31.933 32.500 -0.321 0.000 0.715 98 K HN 0.300 nan 8.250 nan 0.000 0.439 99 L N 1.249 122.366 121.223 -0.176 0.000 2.056 99 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 99 L C 1.831 178.616 176.870 -0.142 0.000 1.078 99 L CA 1.426 56.187 54.840 -0.132 0.000 0.749 99 L CB -0.270 41.740 42.059 -0.081 0.000 0.901 99 L HN 0.181 nan 8.230 nan 0.000 0.433 100 L N -1.299 119.827 121.223 -0.161 0.000 2.017 100 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 100 L C 2.640 179.407 176.870 -0.172 0.000 1.073 100 L CA 1.268 55.996 54.840 -0.185 0.000 0.745 100 L CB -0.903 40.981 42.059 -0.291 0.000 0.894 100 L HN 0.211 nan 8.230 nan 0.000 0.432 101 V N 0.148 119.945 119.914 -0.195 0.000 2.490 101 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 101 V C 2.663 178.678 176.094 -0.132 0.000 1.061 101 V CA 1.786 63.996 62.300 -0.150 0.000 1.064 101 V CB -0.187 31.546 31.823 -0.150 0.000 0.670 101 V HN 0.453 nan 8.190 nan 0.000 0.461 102 A N -0.368 122.356 122.820 -0.160 0.000 1.902 102 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 102 A C 1.832 179.366 177.584 -0.083 0.000 1.181 102 A CA 2.020 53.989 52.037 -0.114 0.000 0.623 102 A CB -0.634 18.296 19.000 -0.116 0.000 0.818 102 A HN 0.604 nan 8.150 nan 0.000 0.443 103 D N -0.339 120.008 120.400 -0.088 0.000 2.363 103 D HA 0.051 4.691 4.640 -0.000 0.000 0.226 103 D C 0.227 176.488 176.300 -0.065 0.000 1.020 103 D CA 0.530 54.488 54.000 -0.070 0.000 0.892 103 D CB -0.237 40.520 40.800 -0.072 0.000 0.900 103 D HN 0.596 nan 8.370 nan 0.000 0.531 104 Q N -1.377 118.383 119.800 -0.067 0.000 2.461 104 Q HA -0.275 4.065 4.340 -0.000 0.000 0.264 104 Q C 0.932 176.896 176.000 -0.061 0.000 1.085 104 Q CA 0.662 56.433 55.803 -0.054 0.000 1.006 104 Q CB -1.833 26.883 28.738 -0.036 0.000 1.437 104 Q HN 0.383 nan 8.270 nan 0.000 0.514 105 A N -0.027 122.741 122.820 -0.085 0.000 2.169 105 A HA 0.312 4.632 4.320 -0.000 0.000 0.212 105 A C 0.989 178.499 177.584 -0.124 0.000 1.153 105 A CA 1.009 52.988 52.037 -0.098 0.000 0.756 105 A CB 0.478 19.411 19.000 -0.111 0.000 0.813 105 A HN 0.539 nan 8.150 nan 0.000 0.471 106 V N -2.691 117.144 119.914 -0.131 0.000 3.040 106 V HA 0.728 4.848 4.120 -0.000 0.000 0.312 106 V C -0.017 176.061 176.094 -0.027 0.000 1.115 106 V CA -0.454 61.777 62.300 -0.115 0.000 0.998 106 V CB 1.271 32.950 31.823 -0.240 0.000 1.042 106 V HN 0.443 nan 8.190 nan 0.000 0.433 107 S N 1.352 117.064 115.700 0.020 0.000 2.600 107 S HA 0.328 4.798 4.470 -0.000 0.000 0.265 107 S C 0.820 175.482 174.600 0.102 0.000 1.325 107 S CA -0.008 58.222 58.200 0.050 0.000 1.002 107 S CB 0.726 63.957 63.200 0.052 0.000 0.921 107 S HN 0.852 nan 8.310 nan 0.000 0.554 108 K N 0.261 120.720 120.400 0.098 0.000 2.074 108 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 108 K C 2.330 179.011 176.600 0.136 0.000 1.048 108 K CA 1.810 58.180 56.287 0.138 0.000 0.926 108 K CB -0.328 32.231 32.500 0.097 0.000 0.713 108 K HN 0.700 nan 8.250 nan 0.000 0.444 109 Q N 1.437 121.294 119.800 0.094 0.000 2.096 109 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 109 Q C 1.825 177.885 176.000 0.100 0.000 0.982 109 Q CA 1.756 57.603 55.803 0.073 0.000 0.850 109 Q CB 0.001 28.771 28.738 0.055 0.000 0.901 109 Q HN 0.339 nan 8.270 nan 0.000 0.422 110 Q N -1.538 118.360 119.800 0.164 0.000 2.083 110 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 110 Q C 1.812 178.024 176.000 0.354 0.000 0.969 110 Q CA 1.311 57.268 55.803 0.258 0.000 0.838 110 Q CB -0.338 28.604 28.738 0.341 0.000 0.900 110 Q HN 0.464 nan 8.270 nan 0.000 0.436 111 Y N 1.479 121.933 120.300 0.257 0.000 2.128 111 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 111 Y C 2.225 178.187 175.900 0.103 0.000 1.154 111 Y CA 1.258 59.491 58.100 0.221 0.000 1.149 111 Y CB -0.770 37.777 38.460 0.145 0.000 0.976 111 Y HN 0.084 nan 8.280 nan 0.000 0.505 112 A N 0.354 123.065 122.820 -0.181 0.000 1.903 112 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 112 A C 2.033 179.511 177.584 -0.177 0.000 1.191 112 A CA 2.340 54.240 52.037 -0.229 0.000 0.638 112 A CB -1.039 17.914 19.000 -0.078 0.000 0.823 112 A HN 0.564 nan 8.150 nan 0.000 0.451 113 D N -0.312 120.033 120.400 -0.091 0.000 2.117 113 D HA -0.010 4.630 4.640 -0.000 0.000 0.198 113 D C 2.268 178.498 176.300 -0.117 0.000 0.982 113 D CA 1.539 55.492 54.000 -0.078 0.000 0.828 113 D CB -0.501 40.276 40.800 -0.040 0.000 0.967 113 D HN 0.442 nan 8.370 nan 0.000 0.464 114 A N 1.064 123.785 122.820 -0.165 0.000 1.898 114 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 114 A C 2.002 179.512 177.584 -0.124 0.000 1.181 114 A CA 1.513 53.428 52.037 -0.205 0.000 0.620 114 A CB -0.723 18.061 19.000 -0.361 0.000 0.819 114 A HN 0.251 nan 8.150 nan 0.000 0.442 115 N N 0.398 118.960 118.700 -0.230 0.000 2.166 115 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 115 N C 1.935 177.438 175.510 -0.012 0.000 1.019 115 N CA 1.391 54.348 53.050 -0.155 0.000 0.856 115 N CB -0.214 37.989 38.487 -0.473 0.000 0.993 115 N HN 0.359 nan 8.380 nan 0.000 0.426 116 A N 1.151 123.925 122.820 -0.077 0.000 1.883 116 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 116 A C 2.455 180.021 177.584 -0.030 0.000 1.186 116 A CA 1.999 54.006 52.037 -0.050 0.000 0.624 116 A CB -1.082 17.883 19.000 -0.060 0.000 0.822 116 A HN 0.482 nan 8.150 nan 0.000 0.444 117 A N -1.403 121.404 122.820 -0.022 0.000 1.902 117 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 117 A C 2.155 179.749 177.584 0.017 0.000 1.181 117 A CA 1.799 53.828 52.037 -0.014 0.000 0.623 117 A CB -0.898 18.086 19.000 -0.026 0.000 0.818 117 A HN 0.842 nan 8.150 nan 0.000 0.443 118 Y N 0.624 120.883 120.300 -0.069 0.000 2.128 118 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 118 Y C 1.895 177.773 175.900 -0.037 0.000 1.154 118 Y CA 1.899 59.970 58.100 -0.048 0.000 1.149 118 Y CB -0.459 37.976 38.460 -0.041 0.000 0.976 118 Y HN 0.212 nan 8.280 nan 0.000 0.505 119 L N 0.053 121.095 121.223 -0.301 0.000 2.046 119 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 119 L C 2.604 179.326 176.870 -0.246 0.000 1.077 119 L CA 1.718 56.346 54.840 -0.352 0.000 0.747 119 L CB -0.690 41.283 42.059 -0.143 0.000 0.896 119 L HN 0.317 nan 8.230 nan 0.000 0.432 120 Q N -0.556 119.154 119.800 -0.150 0.000 2.061 120 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 120 Q C 2.418 178.349 176.000 -0.115 0.000 0.984 120 Q CA 1.969 57.709 55.803 -0.105 0.000 0.846 120 Q CB -0.182 28.516 28.738 -0.066 0.000 0.902 120 Q HN 0.445 nan 8.270 nan 0.000 0.421 121 S N 0.812 116.432 115.700 -0.134 0.000 2.356 121 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 121 S C 1.794 176.304 174.600 -0.150 0.000 1.032 121 S CA 1.206 59.338 58.200 -0.114 0.000 1.005 121 S CB -0.195 62.959 63.200 -0.075 0.000 0.867 121 S HN 0.257 nan 8.310 nan 0.000 0.449 122 K N 1.345 121.578 120.400 -0.279 0.000 2.034 122 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 122 K C 2.240 178.756 176.600 -0.141 0.000 1.051 122 K CA 1.434 57.564 56.287 -0.261 0.000 0.931 122 K CB -0.416 31.811 32.500 -0.455 0.000 0.715 122 K HN 0.316 nan 8.250 nan 0.000 0.446 123 A N 0.714 123.454 122.820 -0.134 0.000 1.883 123 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 123 A C 2.327 179.887 177.584 -0.039 0.000 1.186 123 A CA 2.125 54.117 52.037 -0.074 0.000 0.624 123 A CB -1.004 17.955 19.000 -0.069 0.000 0.822 123 A HN 0.488 nan 8.150 nan 0.000 0.444 124 A N -0.744 122.051 122.820 -0.042 0.000 1.933 124 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 124 A C 2.235 179.829 177.584 0.016 0.000 1.175 124 A CA 1.781 53.811 52.037 -0.011 0.000 0.628 124 A CB -0.863 18.125 19.000 -0.021 0.000 0.814 124 A HN 0.384 nan 8.150 nan 0.000 0.444 125 V N -0.091 119.822 119.914 -0.003 0.000 2.261 125 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 125 V C 2.663 178.826 176.094 0.114 0.000 1.047 125 V CA 2.136 64.458 62.300 0.037 0.000 1.015 125 V CB -0.628 31.185 31.823 -0.017 0.000 0.642 125 V HN 0.506 nan 8.190 nan 0.000 0.446 126 E N -0.211 120.021 120.200 0.052 0.000 2.077 126 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 126 E C 2.237 178.858 176.600 0.036 0.000 0.989 126 E CA 1.455 57.880 56.400 0.042 0.000 0.800 126 E CB -0.221 29.483 29.700 0.007 0.000 0.746 126 E HN 0.557 nan 8.360 nan 0.000 0.452 127 Q N 0.359 120.182 119.800 0.038 0.000 2.084 127 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 127 Q C 1.896 177.934 176.000 0.064 0.000 0.978 127 Q CA 1.928 57.756 55.803 0.041 0.000 0.844 127 Q CB -0.502 28.263 28.738 0.045 0.000 0.898 127 Q HN 0.221 nan 8.270 nan 0.000 0.426 128 A N 0.303 123.195 122.820 0.119 0.000 1.930 128 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 128 A C 2.139 179.802 177.584 0.132 0.000 1.175 128 A CA 1.490 53.639 52.037 0.186 0.000 0.627 128 A CB -0.593 18.568 19.000 0.268 0.000 0.815 128 A HN 0.390 nan 8.150 nan 0.000 0.443 129 R N -0.366 120.196 120.500 0.104 0.000 2.105 129 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 129 R C 1.854 178.015 176.300 -0.232 0.000 1.135 129 R CA 1.780 57.770 56.100 -0.183 0.000 0.967 129 R CB -0.356 29.916 30.300 -0.047 0.000 0.861 129 R HN 0.559 nan 8.270 nan 0.000 0.442 130 I N 1.059 121.527 120.570 -0.170 0.000 2.233 130 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 130 I C 1.727 177.613 176.117 -0.385 0.000 1.093 130 I CA 1.073 62.185 61.300 -0.313 0.000 1.380 130 I CB -0.339 37.537 38.000 -0.206 0.000 1.067 130 I HN 0.197 nan 8.210 nan 0.000 0.413 131 N N 0.785 119.395 118.700 -0.150 0.000 2.094 131 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 131 N C 1.731 177.078 175.510 -0.271 0.000 1.023 131 N CA 1.206 54.175 53.050 -0.135 0.000 0.857 131 N CB -0.590 37.895 38.487 -0.004 0.000 1.013 131 N HN 0.188 nan 8.380 nan 0.000 0.426 132 L N 1.521 122.639 121.223 -0.174 0.000 2.017 132 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 132 L C 2.308 179.059 176.870 -0.199 0.000 1.073 132 L CA 1.609 56.357 54.840 -0.153 0.000 0.745 132 L CB -0.616 41.325 42.059 -0.196 0.000 0.894 132 L HN 0.081 nan 8.230 nan 0.000 0.432 133 R N -1.539 118.794 120.500 -0.279 0.000 2.105 133 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 133 R C 2.136 178.322 176.300 -0.190 0.000 1.135 133 R CA 1.969 57.905 56.100 -0.274 0.000 0.967 133 R CB -0.539 29.530 30.300 -0.384 0.000 0.861 133 R HN 0.532 nan 8.270 nan 0.000 0.442 134 Y N 0.011 120.219 120.300 -0.153 0.000 2.632 134 Y HA -0.103 4.447 4.550 -0.000 0.000 0.301 134 Y C 2.301 178.107 175.900 -0.157 0.000 1.172 134 Y CA 0.775 58.784 58.100 -0.151 0.000 1.328 134 Y CB 0.181 38.533 38.460 -0.180 0.000 1.016 134 Y HN 0.324 nan 8.280 nan 0.000 0.529 135 T N -2.428 112.108 114.554 -0.030 0.000 2.985 135 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 135 T C 0.700 175.426 174.700 0.042 0.000 1.076 135 T CA 0.244 62.331 62.100 -0.023 0.000 1.135 135 T CB -0.104 68.760 68.868 -0.006 0.000 0.890 135 T HN 0.079 nan 8.240 nan 0.000 0.480 136 K N 2.737 123.164 120.400 0.045 0.000 2.171 136 K HA 0.387 4.707 4.320 -0.000 0.000 0.274 136 K C -0.822 175.838 176.600 0.101 0.000 1.110 136 K CA -0.338 55.991 56.287 0.070 0.000 0.952 136 K CB 0.918 33.442 32.500 0.040 0.000 1.309 136 K HN 0.149 nan 8.250 nan 0.000 0.414 137 V N 5.680 125.679 119.914 0.141 0.000 2.446 137 V HA 0.073 4.193 4.120 -0.000 0.000 0.276 137 V C 0.425 176.617 176.094 0.164 0.000 1.030 137 V CA -0.109 62.285 62.300 0.157 0.000 1.033 137 V CB -0.344 31.592 31.823 0.188 0.000 0.993 137 V HN 0.523 nan 8.190 nan 0.000 0.477 138 L N 3.337 124.624 121.223 0.107 0.000 2.334 138 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 138 L C 0.642 177.538 176.870 0.043 0.000 1.018 138 L CA -0.449 54.432 54.840 0.069 0.000 0.811 138 L CB 1.593 43.682 42.059 0.050 0.000 1.271 138 L HN 0.528 nan 8.230 nan 0.000 0.443 139 S N 1.164 116.869 115.700 0.008 0.000 2.498 139 S HA 0.163 4.633 4.470 -0.000 0.000 0.281 139 S C -1.588 173.006 174.600 -0.010 0.000 1.265 139 S CA -1.148 57.038 58.200 -0.023 0.000 1.071 139 S CB 0.746 63.913 63.200 -0.054 0.000 0.894 139 S HN 0.374 nan 8.310 nan 0.000 0.491 140 P HA 0.081 nan 4.420 nan 0.000 0.219 140 P C 0.183 177.478 177.300 -0.009 0.000 1.150 140 P CA 0.845 63.941 63.100 -0.006 0.000 0.814 140 P CB -0.099 31.595 31.700 -0.010 0.000 0.787 141 I N -6.741 113.818 120.570 -0.017 0.000 3.074 141 I HA 0.505 4.675 4.170 -0.000 0.000 0.310 141 I C -0.833 175.272 176.117 -0.019 0.000 1.153 141 I CA -1.317 59.976 61.300 -0.012 0.000 0.993 141 I CB 2.275 40.271 38.000 -0.006 0.000 1.237 141 I HN -0.475 nan 8.210 nan 0.000 0.443 142 S N 1.559 117.253 115.700 -0.009 0.000 2.548 142 S HA 0.815 5.285 4.470 -0.000 0.000 0.277 142 S C 0.176 174.768 174.600 -0.013 0.000 1.315 142 S CA 0.251 58.443 58.200 -0.014 0.000 1.050 142 S CB 0.979 64.175 63.200 -0.006 0.000 0.918 142 S HN 1.183 nan 8.310 nan 0.000 0.497 143 G N 1.471 110.255 108.800 -0.026 0.000 2.324 143 G HA2 0.297 4.257 3.960 -0.000 0.000 0.293 143 G HA3 0.297 4.257 3.960 -0.000 0.000 0.293 143 G C -1.554 173.323 174.900 -0.038 0.000 1.297 143 G CA -1.154 43.932 45.100 -0.024 0.000 0.853 143 G HN 0.647 nan 8.290 nan 0.000 0.535 144 R N 0.295 120.776 120.500 -0.030 0.000 2.210 144 R HA 0.526 4.866 4.340 -0.000 0.000 0.338 144 R C 0.134 176.402 176.300 -0.053 0.000 1.062 144 R CA -0.551 55.529 56.100 -0.032 0.000 0.902 144 R CB 0.320 30.612 30.300 -0.013 0.000 1.050 144 R HN 0.548 nan 8.270 nan 0.000 0.461 145 I N 3.971 124.483 120.570 -0.097 0.000 2.696 145 I HA 0.209 4.379 4.170 -0.000 0.000 0.284 145 I C 0.757 176.843 176.117 -0.051 0.000 1.129 145 I CA 0.471 61.679 61.300 -0.155 0.000 1.410 145 I CB 1.143 38.890 38.000 -0.422 0.000 1.399 145 I HN 0.824 nan 8.210 nan 0.000 0.579 146 G N 6.055 114.846 108.800 -0.015 0.000 3.182 146 G HA2 0.371 4.331 3.960 -0.000 0.000 0.167 146 G HA3 0.371 4.331 3.960 -0.000 0.000 0.167 146 G C -0.336 174.647 174.900 0.138 0.000 1.537 146 G CA -0.639 44.493 45.100 0.053 0.000 1.046 146 G HN 0.574 nan 8.290 nan 0.000 0.580 147 R N -0.150 120.427 120.500 0.128 0.000 2.490 147 R HA 0.440 4.780 4.340 -0.000 0.000 0.278 147 R C -0.055 176.379 176.300 0.223 0.000 1.069 147 R CA -0.155 56.041 56.100 0.159 0.000 1.080 147 R CB 1.351 31.709 30.300 0.096 0.000 1.030 147 R HN 0.371 nan 8.270 nan 0.000 0.491 148 S N 1.094 116.947 115.700 0.255 0.000 2.505 148 S HA 0.187 4.657 4.470 -0.000 0.000 0.276 148 S C 0.925 175.630 174.600 0.174 0.000 1.274 148 S CA -0.454 57.926 58.200 0.300 0.000 1.053 148 S CB 1.042 64.410 63.200 0.280 0.000 0.919 148 S HN 0.708 nan 8.310 nan 0.000 0.490 149 A N 4.712 127.623 122.820 0.152 0.000 2.235 149 A HA 0.389 4.709 4.320 -0.000 0.000 0.208 149 A C 0.336 177.958 177.584 0.064 0.000 1.172 149 A CA 0.062 52.149 52.037 0.083 0.000 0.786 149 A CB 0.013 19.047 19.000 0.056 0.000 0.804 149 A HN 0.647 nan 8.150 nan 0.000 0.479 150 V N 0.528 120.500 119.914 0.097 0.000 2.760 150 V HA 0.430 4.550 4.120 -0.000 0.000 0.309 150 V C -0.093 176.059 176.094 0.097 0.000 1.077 150 V CA -0.256 62.083 62.300 0.065 0.000 0.910 150 V CB 2.291 34.111 31.823 -0.006 0.000 1.008 150 V HN 0.429 nan 8.190 nan 0.000 0.424 151 T N 0.960 115.547 114.554 0.056 0.000 2.867 151 T HA 0.573 4.923 4.350 -0.000 0.000 0.282 151 T C -0.147 174.582 174.700 0.048 0.000 1.000 151 T CA -0.753 61.374 62.100 0.045 0.000 1.042 151 T CB 1.289 70.171 68.868 0.023 0.000 0.973 151 T HN 0.649 nan 8.240 nan 0.000 0.465 152 E N 0.629 120.854 120.200 0.043 0.000 2.653 152 E HA 0.231 4.581 4.350 -0.000 0.000 0.264 152 E C 1.390 178.008 176.600 0.029 0.000 0.949 152 E CA 1.198 57.623 56.400 0.041 0.000 0.953 152 E CB -0.103 29.609 29.700 0.019 0.000 0.925 152 E HN 1.124 nan 8.360 nan 0.000 0.475 153 G N 1.609 110.428 108.800 0.032 0.000 2.205 153 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 153 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 153 G C 0.381 175.293 174.900 0.019 0.000 0.980 153 G CA 0.101 45.215 45.100 0.023 0.000 0.632 153 G HN 0.834 nan 8.290 nan 0.000 0.533 154 A N -0.323 122.508 122.820 0.018 0.000 2.332 154 A HA 0.719 5.039 4.320 -0.000 0.000 0.258 154 A C 0.297 177.883 177.584 0.004 0.000 1.087 154 A CA 0.186 52.228 52.037 0.008 0.000 0.802 154 A CB 0.768 19.771 19.000 0.004 0.000 1.042 154 A HN 1.447 nan 8.150 nan 0.000 0.489 155 L N 2.791 124.014 121.223 -0.000 0.000 2.281 155 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 155 L C -0.015 176.846 176.870 -0.015 0.000 1.074 155 L CA -0.025 54.815 54.840 -0.001 0.000 0.817 155 L CB 0.930 42.990 42.059 0.002 0.000 1.168 155 L HN 0.648 nan 8.230 nan 0.000 0.434 156 V N 1.597 121.498 119.914 -0.021 0.000 2.769 156 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 156 V C -0.085 175.994 176.094 -0.025 0.000 1.058 156 V CA -0.298 61.976 62.300 -0.044 0.000 0.952 156 V CB 1.710 33.480 31.823 -0.089 0.000 1.019 156 V HN 0.772 nan 8.190 nan 0.000 0.445 157 T N 3.027 117.560 114.554 -0.036 0.000 2.848 157 T HA 0.376 4.726 4.350 -0.000 0.000 0.285 157 T C -0.299 174.372 174.700 -0.049 0.000 0.995 157 T CA -0.316 61.768 62.100 -0.026 0.000 0.970 157 T CB 1.180 70.037 68.868 -0.020 0.000 0.976 157 T HN 0.974 nan 8.240 nan 0.000 0.441 158 N N 1.628 120.300 118.700 -0.048 0.000 2.411 158 N HA 0.286 5.026 4.740 -0.000 0.000 0.265 158 N C 1.293 176.766 175.510 -0.061 0.000 1.266 158 N CA 1.760 54.765 53.050 -0.075 0.000 0.889 158 N CB 0.014 38.460 38.487 -0.069 0.000 1.069 158 N HN 1.004 nan 8.380 nan 0.000 0.476 159 G N 2.199 110.954 108.800 -0.073 0.000 2.143 159 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.249 159 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.249 159 G C -0.062 174.810 174.900 -0.046 0.000 0.981 159 G CA 0.494 45.560 45.100 -0.057 0.000 0.665 159 G HN 0.925 nan 8.290 nan 0.000 0.528 160 Q N -0.555 119.215 119.800 -0.049 0.000 2.361 160 Q HA 0.659 4.999 4.340 -0.000 0.000 0.276 160 Q C 1.612 177.589 176.000 -0.039 0.000 1.022 160 Q CA 0.448 56.227 55.803 -0.040 0.000 0.898 160 Q CB 1.146 29.857 28.738 -0.044 0.000 1.246 160 Q HN 0.895 nan 8.270 nan 0.000 0.410 161 A N 4.045 126.847 122.820 -0.030 0.000 1.978 161 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 161 A C 0.213 177.781 177.584 -0.027 0.000 1.170 161 A CA 1.435 53.456 52.037 -0.026 0.000 0.636 161 A CB -0.571 18.417 19.000 -0.020 0.000 0.810 161 A HN 0.906 nan 8.150 nan 0.000 0.448 162 N N -0.687 117.996 118.700 -0.028 0.000 2.399 162 N HA 0.541 5.281 4.740 -0.000 0.000 0.295 162 N C -0.310 175.181 175.510 -0.031 0.000 1.048 162 N CA -0.195 52.841 53.050 -0.024 0.000 0.886 162 N CB 1.455 39.932 38.487 -0.016 0.000 1.185 162 N HN 0.344 nan 8.380 nan 0.000 0.487 163 A N 1.771 124.576 122.820 -0.024 0.000 2.448 163 A HA 0.067 4.387 4.320 -0.000 0.000 0.239 163 A C 1.024 178.598 177.584 -0.018 0.000 1.080 163 A CA 0.202 52.225 52.037 -0.025 0.000 0.779 163 A CB 0.165 19.159 19.000 -0.010 0.000 1.026 163 A HN 0.826 nan 8.150 nan 0.000 0.499 164 M N 0.395 119.978 119.600 -0.027 0.000 2.435 164 M HA 0.247 4.727 4.480 -0.000 0.000 0.265 164 M C 0.743 177.125 176.300 0.137 0.000 1.104 164 M CA 1.403 56.697 55.300 -0.010 0.000 1.140 164 M CB -0.015 32.464 32.600 -0.200 0.000 1.372 164 M HN 0.852 nan 8.290 nan 0.000 0.456 165 A N -0.645 122.251 122.820 0.126 0.000 2.564 165 A HA 0.747 5.067 4.320 -0.000 0.000 0.291 165 A C -1.013 176.594 177.584 0.039 0.000 1.102 165 A CA -0.591 51.523 52.037 0.128 0.000 0.660 165 A CB 1.398 20.498 19.000 0.166 0.000 1.283 165 A HN 0.030 nan 8.150 nan 0.000 0.430 166 T N 0.436 114.991 114.554 0.001 0.000 3.071 166 T HA 0.549 4.899 4.350 -0.000 0.000 0.311 166 T C -1.203 173.470 174.700 -0.046 0.000 1.042 166 T CA -0.277 61.813 62.100 -0.016 0.000 1.028 166 T CB 1.333 70.200 68.868 -0.001 0.000 1.068 166 T HN 0.836 nan 8.240 nan 0.000 0.451 167 V N 3.790 123.672 119.914 -0.053 0.000 2.630 167 V HA 0.579 4.699 4.120 -0.000 0.000 0.305 167 V C -0.354 175.720 176.094 -0.032 0.000 1.046 167 V CA -0.785 61.476 62.300 -0.065 0.000 0.934 167 V CB 1.900 33.673 31.823 -0.082 0.000 1.003 167 V HN 0.810 nan 8.190 nan 0.000 0.451 168 Q N 2.570 122.355 119.800 -0.024 0.000 2.290 168 Q HA 0.342 4.682 4.340 -0.000 0.000 0.269 168 Q C -0.883 175.121 176.000 0.006 0.000 1.016 168 Q CA -0.385 55.416 55.803 -0.003 0.000 0.754 168 Q CB 2.643 31.382 28.738 0.001 0.000 1.247 168 Q HN 0.742 nan 8.270 nan 0.000 0.451 169 Q N 3.798 123.615 119.800 0.028 0.000 2.281 169 Q HA 0.127 4.467 4.340 -0.000 0.000 0.267 169 Q C -0.178 175.849 176.000 0.045 0.000 1.053 169 Q CA 0.303 56.135 55.803 0.048 0.000 0.905 169 Q CB 0.524 29.326 28.738 0.106 0.000 1.195 169 Q HN 0.759 nan 8.270 nan 0.000 0.398 170 L N 3.093 124.316 121.223 0.000 0.000 2.749 170 L HA 0.079 4.419 4.340 -0.000 0.000 0.242 170 L C 1.550 178.381 176.870 -0.065 0.000 1.103 170 L CA -0.179 54.649 54.840 -0.019 0.000 0.906 170 L CB 0.086 42.137 42.059 -0.013 0.000 1.228 170 L HN 0.699 nan 8.230 nan 0.000 0.517 171 D N 1.716 122.064 120.400 -0.087 0.000 2.087 171 D HA -0.042 4.598 4.640 -0.000 0.000 0.203 171 D C -1.628 174.546 176.300 -0.210 0.000 0.976 171 D CA 0.634 54.567 54.000 -0.112 0.000 0.865 171 D CB -0.934 39.804 40.800 -0.103 0.000 1.005 171 D HN 0.016 nan 8.370 nan 0.000 0.449 172 P HA 0.159 nan 4.420 nan 0.000 0.264 172 P C -0.510 176.455 177.300 -0.558 0.000 1.193 172 P CA 0.405 63.089 63.100 -0.693 0.000 0.763 172 P CB 0.700 31.533 31.700 -1.445 0.000 0.810 173 I N 3.343 123.718 120.570 -0.326 0.000 2.646 173 I HA 0.392 4.562 4.170 -0.000 0.000 0.299 173 I C -0.764 175.317 176.117 -0.059 0.000 1.036 173 I CA -1.280 59.929 61.300 -0.153 0.000 1.074 173 I CB 1.464 39.424 38.000 -0.065 0.000 1.258 173 I HN 0.231 nan 8.210 nan 0.000 0.430 174 Y N 4.816 125.214 120.300 0.164 0.000 2.307 174 Y HA 0.526 5.076 4.550 -0.000 0.000 0.324 174 Y C -0.259 175.694 175.900 0.088 0.000 1.238 174 Y CA -0.818 57.362 58.100 0.134 0.000 1.280 174 Y CB 1.639 40.161 38.460 0.103 0.000 1.248 174 Y HN 0.143 nan 8.280 nan 0.000 0.508 175 V N 2.806 122.905 119.914 0.308 0.000 2.409 175 V HA 0.179 4.299 4.120 -0.000 0.000 0.290 175 V C -1.178 174.971 176.094 0.093 0.000 1.017 175 V CA -1.084 61.319 62.300 0.172 0.000 0.841 175 V CB 1.253 33.214 31.823 0.230 0.000 1.003 175 V HN 0.652 nan 8.190 nan 0.000 0.426 176 D N 3.817 124.232 120.400 0.025 0.000 2.295 176 D HA 0.419 5.059 4.640 -0.000 0.000 0.248 176 D C -0.256 176.029 176.300 -0.025 0.000 1.154 176 D CA 0.020 54.002 54.000 -0.030 0.000 0.857 176 D CB 1.993 42.757 40.800 -0.059 0.000 1.117 176 D HN 0.245 nan 8.370 nan 0.000 0.468 177 V N 2.948 122.850 119.914 -0.020 0.000 2.384 177 V HA 0.326 4.446 4.120 -0.000 0.000 0.287 177 V C 0.177 176.269 176.094 -0.004 0.000 1.020 177 V CA -0.467 61.830 62.300 -0.004 0.000 0.850 177 V CB 1.855 33.687 31.823 0.015 0.000 0.987 177 V HN 0.515 nan 8.190 nan 0.000 0.436 178 T N 5.703 120.257 114.554 0.000 0.000 2.794 178 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 178 T C -0.609 174.104 174.700 0.022 0.000 0.987 178 T CA -0.559 61.545 62.100 0.006 0.000 0.993 178 T CB 1.157 70.025 68.868 -0.001 0.000 0.939 178 T HN 0.560 nan 8.240 nan 0.000 0.449 179 Q N 2.446 122.262 119.800 0.027 0.000 2.377 179 Q HA 0.369 4.709 4.340 -0.000 0.000 0.279 179 Q C -2.784 173.233 176.000 0.028 0.000 1.049 179 Q CA -2.226 53.598 55.803 0.036 0.000 0.825 179 Q CB 2.525 31.294 28.738 0.052 0.000 1.401 179 Q HN 0.353 nan 8.270 nan 0.000 0.404 180 P HA -0.086 nan 4.420 nan 0.000 0.265 180 P C 0.811 178.122 177.300 0.018 0.000 1.187 180 P CA 0.517 63.628 63.100 0.019 0.000 0.766 180 P CB 0.526 32.237 31.700 0.018 0.000 0.820 181 S N 1.757 117.464 115.700 0.012 0.000 2.407 181 S HA -0.235 4.235 4.470 -0.000 0.000 0.235 181 S C 1.671 176.273 174.600 0.005 0.000 1.036 181 S CA 2.157 60.362 58.200 0.009 0.000 1.013 181 S CB -1.872 61.330 63.200 0.004 0.000 0.820 181 S HN 0.666 nan 8.310 nan 0.000 0.476 182 T N -0.340 114.217 114.554 0.004 0.000 2.896 182 T HA 0.342 4.692 4.350 -0.000 0.000 0.263 182 T C 2.023 176.722 174.700 -0.000 0.000 1.050 182 T CA 0.774 62.874 62.100 -0.001 0.000 1.140 182 T CB -0.767 68.102 68.868 0.001 0.000 0.877 182 T HN 0.547 nan 8.240 nan 0.000 0.457 183 A N 1.842 124.669 122.820 0.012 0.000 1.883 183 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 183 A C 2.328 179.923 177.584 0.018 0.000 1.186 183 A CA 1.709 53.758 52.037 0.020 0.000 0.624 183 A CB -0.959 18.062 19.000 0.036 0.000 0.822 183 A HN 0.512 nan 8.150 nan 0.000 0.444 184 L N -1.026 120.211 121.223 0.024 0.000 2.056 184 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 184 L C 2.191 179.024 176.870 -0.062 0.000 1.078 184 L CA 1.776 56.630 54.840 0.024 0.000 0.749 184 L CB -0.457 41.636 42.059 0.057 0.000 0.901 184 L HN 0.293 nan 8.230 nan 0.000 0.433 185 L N 0.193 121.386 121.223 -0.050 0.000 2.012 185 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 185 L C 2.755 179.567 176.870 -0.096 0.000 1.073 185 L CA 2.072 56.867 54.840 -0.074 0.000 0.748 185 L CB -1.041 40.992 42.059 -0.044 0.000 0.891 185 L HN 0.433 nan 8.230 nan 0.000 0.431 186 R N -0.648 119.813 120.500 -0.065 0.000 2.115 186 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 186 R C 2.356 178.593 176.300 -0.105 0.000 1.133 186 R CA 2.509 58.572 56.100 -0.063 0.000 0.935 186 R CB -0.572 29.711 30.300 -0.028 0.000 0.853 186 R HN 0.454 nan 8.270 nan 0.000 0.433 187 L N 0.137 121.288 121.223 -0.120 0.000 2.042 187 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 187 L C 2.839 179.440 176.870 -0.449 0.000 1.076 187 L CA 1.538 56.270 54.840 -0.180 0.000 0.749 187 L CB -0.482 41.547 42.059 -0.050 0.000 0.893 187 L HN 0.271 nan 8.230 nan 0.000 0.432 188 R N -0.187 119.958 120.500 -0.593 0.000 2.091 188 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 188 R C 2.472 178.576 176.300 -0.326 0.000 1.136 188 R CA 1.245 56.953 56.100 -0.653 0.000 0.959 188 R CB -0.291 29.746 30.300 -0.438 0.000 0.856 188 R HN 0.392 nan 8.270 nan 0.000 0.437 189 R N 0.800 121.174 120.500 -0.209 0.000 2.081 189 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 189 R C 2.055 178.297 176.300 -0.097 0.000 1.131 189 R CA 1.571 57.598 56.100 -0.122 0.000 0.960 189 R CB -0.221 30.028 30.300 -0.085 0.000 0.856 189 R HN 0.416 nan 8.270 nan 0.000 0.436 190 E N 0.795 120.936 120.200 -0.099 0.000 2.204 190 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 190 E C 2.026 178.603 176.600 -0.038 0.000 0.990 190 E CA 0.596 56.964 56.400 -0.053 0.000 0.821 190 E CB -0.100 29.581 29.700 -0.032 0.000 0.750 190 E HN 0.272 nan 8.360 nan 0.000 0.477 191 L N 0.705 121.882 121.223 -0.076 0.000 2.027 191 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 191 L C 2.408 179.271 176.870 -0.012 0.000 1.074 191 L CA 1.408 56.240 54.840 -0.013 0.000 0.745 191 L CB -0.223 41.836 42.059 0.001 0.000 0.898 191 L HN 0.113 nan 8.230 nan 0.000 0.433 192 A N -0.900 121.896 122.820 -0.040 0.000 1.930 192 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 192 A C 2.474 180.047 177.584 -0.017 0.000 1.175 192 A CA 1.772 53.794 52.037 -0.025 0.000 0.627 192 A CB -0.929 18.050 19.000 -0.034 0.000 0.815 192 A HN 0.611 nan 8.150 nan 0.000 0.443 193 S N -1.251 114.435 115.700 -0.023 0.000 2.419 193 S HA 0.207 4.677 4.470 -0.000 0.000 0.233 193 S C 1.651 176.249 174.600 -0.003 0.000 1.016 193 S CA 1.685 59.876 58.200 -0.014 0.000 0.974 193 S CB -0.566 62.624 63.200 -0.017 0.000 0.786 193 S HN 2.038 nan 8.310 nan 0.000 0.492 194 G N 0.601 109.402 108.800 0.002 0.000 2.176 194 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.253 194 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.253 194 G C 0.670 175.580 174.900 0.015 0.000 0.979 194 G CA 0.637 45.744 45.100 0.012 0.000 0.641 194 G HN 0.618 nan 8.290 nan 0.000 0.530 195 Q N -0.569 119.238 119.800 0.012 0.000 2.170 195 Q HA 0.165 4.505 4.340 -0.000 0.000 0.203 195 Q C 1.089 177.106 176.000 0.029 0.000 0.976 195 Q CA 0.752 56.565 55.803 0.016 0.000 0.858 195 Q CB -0.036 28.707 28.738 0.009 0.000 0.907 195 Q HN 0.621 nan 8.270 nan 0.000 0.433 196 L N 1.470 122.715 121.223 0.037 0.000 2.309 196 L HA 0.304 4.644 4.340 -0.000 0.000 0.282 196 L C -0.207 176.700 176.870 0.062 0.000 1.036 196 L CA -0.570 54.307 54.840 0.062 0.000 0.806 196 L CB 1.623 43.740 42.059 0.098 0.000 1.220 196 L HN 0.117 nan 8.230 nan 0.000 0.429 197 E N 4.075 124.311 120.200 0.060 0.000 2.344 197 E HA 0.086 4.436 4.350 -0.000 0.000 0.270 197 E C -0.253 176.382 176.600 0.058 0.000 1.021 197 E CA -0.578 55.853 56.400 0.050 0.000 0.887 197 E CB 0.740 30.465 29.700 0.042 0.000 0.997 197 E HN 0.449 nan 8.360 nan 0.000 0.429 198 R N 2.317 122.848 120.500 0.051 0.000 2.539 198 R HA 0.406 4.746 4.340 -0.000 0.000 0.275 198 R C -0.960 175.356 176.300 0.025 0.000 1.077 198 R CA -0.265 55.866 56.100 0.051 0.000 1.097 198 R CB 0.973 31.302 30.300 0.048 0.000 1.018 198 R HN 0.323 nan 8.270 nan 0.000 0.483 199 A N 2.744 125.570 122.820 0.010 0.000 2.664 199 A HA 0.575 4.895 4.320 -0.000 0.000 0.338 199 A C 0.521 178.097 177.584 -0.014 0.000 1.280 199 A CA -0.072 51.957 52.037 -0.014 0.000 0.809 199 A CB 0.158 19.129 19.000 -0.048 0.000 1.114 199 A HN 1.302 nan 8.150 nan 0.000 0.479 200 G N 1.384 110.184 108.800 0.000 0.000 2.645 200 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.239 200 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.239 200 G C -0.597 174.314 174.900 0.018 0.000 1.331 200 G CA -0.159 44.944 45.100 0.005 0.000 0.890 200 G HN 0.677 nan 8.290 nan 0.000 0.572 201 D N 1.199 121.611 120.400 0.020 0.000 2.389 201 D HA 0.298 4.938 4.640 -0.000 0.000 0.247 201 D C 1.318 177.647 176.300 0.048 0.000 1.128 201 D CA 0.628 54.647 54.000 0.033 0.000 0.884 201 D CB 0.765 41.581 40.800 0.027 0.000 1.194 201 D HN 0.734 nan 8.370 nan 0.000 0.441 202 N N 0.298 119.045 118.700 0.079 0.000 2.696 202 N HA -0.253 4.487 4.740 -0.000 0.000 0.249 202 N C -1.570 174.042 175.510 0.170 0.000 1.090 202 N CA 1.022 54.156 53.050 0.140 0.000 0.716 202 N CB -0.622 37.933 38.487 0.114 0.000 1.020 202 N HN 0.544 nan 8.380 nan 0.000 0.548 203 A N -1.084 121.801 122.820 0.109 0.000 2.486 203 A HA 0.867 5.187 4.320 -0.000 0.000 0.300 203 A C -0.440 177.159 177.584 0.025 0.000 1.048 203 A CA -0.073 51.943 52.037 -0.035 0.000 0.696 203 A CB 1.565 20.505 19.000 -0.101 0.000 1.278 203 A HN 0.678 nan 8.150 nan 0.000 0.405 204 A N 1.513 124.301 122.820 -0.054 0.000 2.301 204 A HA 0.648 4.968 4.320 -0.000 0.000 0.312 204 A C 0.218 177.776 177.584 -0.043 0.000 1.182 204 A CA -0.541 51.524 52.037 0.048 0.000 0.826 204 A CB 0.370 19.481 19.000 0.185 0.000 1.134 204 A HN 0.919 nan 8.150 nan 0.000 0.501 205 K N 1.257 121.657 120.400 -0.001 0.000 2.448 205 K HA 0.335 4.655 4.320 -0.000 0.000 0.278 205 K C -0.304 176.304 176.600 0.013 0.000 1.009 205 K CA 0.251 56.533 56.287 -0.009 0.000 0.995 205 K CB 0.138 32.650 32.500 0.019 0.000 0.917 205 K HN 0.751 nan 8.250 nan 0.000 0.481 206 V N -0.419 119.500 119.914 0.010 0.000 3.078 206 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 206 V C -0.666 175.587 176.094 0.266 0.000 1.138 206 V CA -1.016 61.347 62.300 0.104 0.000 1.007 206 V CB 2.012 33.884 31.823 0.082 0.000 1.045 206 V HN 0.694 nan 8.190 nan 0.000 0.432 207 S N 1.337 117.217 115.700 0.300 0.000 2.648 207 S HA 0.899 5.369 4.470 -0.000 0.000 0.305 207 S C -1.049 173.699 174.600 0.247 0.000 1.094 207 S CA -0.544 57.837 58.200 0.302 0.000 0.983 207 S CB 1.634 64.935 63.200 0.167 0.000 1.101 207 S HN 0.880 nan 8.310 nan 0.000 0.514 208 L N 2.190 123.433 121.223 0.034 0.000 2.362 208 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 208 L C -0.812 176.032 176.870 -0.044 0.000 0.998 208 L CA -0.189 54.527 54.840 -0.207 0.000 0.820 208 L CB 1.446 42.949 42.059 -0.926 0.000 1.270 208 L HN 0.495 nan 8.230 nan 0.000 0.415 209 K N 5.009 125.412 120.400 0.005 0.000 2.339 209 K HA 0.514 4.834 4.320 -0.000 0.000 0.264 209 K C -0.793 175.842 176.600 0.059 0.000 0.986 209 K CA -0.640 55.680 56.287 0.055 0.000 0.866 209 K CB 0.865 33.417 32.500 0.088 0.000 1.103 209 K HN 0.607 nan 8.250 nan 0.000 0.441 210 L N 1.921 123.172 121.223 0.045 0.000 2.473 210 L HA 0.032 4.372 4.340 -0.000 0.000 0.265 210 L C 1.866 178.786 176.870 0.085 0.000 1.243 210 L CA 0.153 55.022 54.840 0.048 0.000 0.822 210 L CB 0.255 42.349 42.059 0.058 0.000 1.101 210 L HN 0.747 nan 8.230 nan 0.000 0.507 211 E N 0.640 120.892 120.200 0.087 0.000 2.150 211 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 211 E C 1.239 177.871 176.600 0.052 0.000 0.985 211 E CA 1.290 57.745 56.400 0.092 0.000 0.814 211 E CB 0.114 29.872 29.700 0.098 0.000 0.752 211 E HN 0.875 nan 8.360 nan 0.000 0.466 212 D N -1.260 119.166 120.400 0.043 0.000 2.392 212 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 212 D C 1.288 177.600 176.300 0.021 0.000 1.003 212 D CA 1.045 55.061 54.000 0.025 0.000 0.917 212 D CB -0.020 40.795 40.800 0.024 0.000 0.890 212 D HN 0.324 nan 8.370 nan 0.000 0.532 213 G N -0.339 108.479 108.800 0.030 0.000 2.241 213 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 213 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 213 G C 0.567 175.478 174.900 0.019 0.000 0.998 213 G CA 0.398 45.508 45.100 0.018 0.000 0.621 213 G HN 0.882 nan 8.290 nan 0.000 0.519 214 S N -0.062 115.652 115.700 0.024 0.000 2.596 214 S HA 0.566 5.036 4.470 -0.000 0.000 0.260 214 S C 0.160 174.780 174.600 0.034 0.000 1.336 214 S CA 0.339 58.552 58.200 0.022 0.000 0.993 214 S CB 1.481 64.692 63.200 0.018 0.000 0.923 214 S HN 0.576 nan 8.310 nan 0.000 0.567 215 Q N 0.136 119.952 119.800 0.028 0.000 2.259 215 Q HA 0.357 4.697 4.340 -0.000 0.000 0.249 215 Q C -1.336 174.696 176.000 0.053 0.000 0.914 215 Q CA -0.348 55.479 55.803 0.041 0.000 0.904 215 Q CB 0.589 29.341 28.738 0.024 0.000 1.213 215 Q HN 0.688 nan 8.270 nan 0.000 0.428 216 Y N 5.737 125.996 120.300 -0.069 0.000 2.335 216 Y HA 0.233 4.783 4.550 -0.000 0.000 0.331 216 Y C -1.459 174.414 175.900 -0.045 0.000 1.094 216 Y CA -1.950 56.097 58.100 -0.088 0.000 1.253 216 Y CB 1.037 39.379 38.460 -0.195 0.000 1.203 216 Y HN 0.671 nan 8.280 nan 0.000 0.508 217 P HA -0.123 nan 4.420 nan 0.000 0.228 217 P C 0.837 178.033 177.300 -0.174 0.000 1.151 217 P CA 1.310 64.238 63.100 -0.286 0.000 0.770 217 P CB 0.471 31.974 31.700 -0.329 0.000 0.786 218 L N -1.460 119.685 121.223 -0.130 0.000 2.362 218 L HA 0.223 4.563 4.340 -0.000 0.000 0.204 218 L C 0.530 177.550 176.870 0.250 0.000 1.060 218 L CA 0.073 54.974 54.840 0.102 0.000 0.827 218 L CB -0.230 41.929 42.059 0.166 0.000 1.027 218 L HN -0.048 nan 8.230 nan 0.000 0.474 219 E N -0.684 119.774 120.200 0.431 0.000 7.527 219 E HA -0.083 4.267 4.350 -0.000 0.000 0.372 219 E C -0.624 176.128 176.600 0.252 0.000 0.613 219 E CA 0.191 56.811 56.400 0.368 0.000 1.157 219 E CB -0.505 29.299 29.700 0.173 0.000 0.937 219 E HN 0.315 nan 8.360 nan 0.000 0.262 220 G N 3.564 112.357 108.800 -0.012 0.000 3.217 220 G HA2 0.792 4.752 3.960 -0.000 0.000 0.213 220 G HA3 0.792 4.752 3.960 -0.000 0.000 0.213 220 G C -0.934 173.692 174.900 -0.457 0.000 1.294 220 G CA -0.671 44.025 45.100 -0.673 0.000 0.987 220 G HN 0.367 nan 8.290 nan 0.000 0.584 221 R N -0.772 119.398 120.500 -0.550 0.000 2.532 221 R HA 0.426 4.766 4.340 -0.000 0.000 0.297 221 R C -1.787 174.302 176.300 -0.351 0.000 0.984 221 R CA -0.681 55.227 56.100 -0.319 0.000 0.884 221 R CB 2.032 32.199 30.300 -0.221 0.000 1.182 221 R HN 0.305 nan 8.270 nan 0.000 0.442 222 L N 3.566 124.590 121.223 -0.332 0.000 2.277 222 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 222 L C -0.579 175.903 176.870 -0.646 0.000 1.028 222 L CA 0.028 54.615 54.840 -0.423 0.000 0.835 222 L CB 1.180 42.998 42.059 -0.403 0.000 1.215 222 L HN 0.533 nan 8.230 nan 0.000 0.425 223 E N 4.585 124.516 120.200 -0.448 0.000 2.259 223 E HA 0.130 4.480 4.350 -0.000 0.000 0.281 223 E C -0.076 176.309 176.600 -0.359 0.000 1.027 223 E CA -0.020 56.175 56.400 -0.342 0.000 0.838 223 E CB 0.972 30.592 29.700 -0.134 0.000 1.066 223 E HN 0.606 nan 8.360 nan 0.000 0.401 224 F N 0.749 120.692 119.950 -0.012 0.000 2.776 224 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 224 F C 1.204 176.992 175.800 -0.019 0.000 1.116 224 F CA -0.411 57.581 58.000 -0.014 0.000 1.375 224 F CB 0.552 39.547 39.000 -0.008 0.000 1.109 224 F HN 0.247 nan 8.300 nan 0.000 0.585 225 S N 1.193 116.959 115.700 0.110 0.000 2.465 225 S HA 0.184 4.654 4.470 -0.000 0.000 0.280 225 S C -0.226 174.386 174.600 0.020 0.000 1.232 225 S CA -0.990 57.243 58.200 0.056 0.000 1.066 225 S CB 0.144 63.359 63.200 0.024 0.000 0.929 225 S HN 0.268 nan 8.310 nan 0.000 0.494 226 E N 2.217 122.432 120.200 0.025 0.000 2.415 226 E HA 0.276 4.626 4.350 -0.000 0.000 0.262 226 E C 0.120 176.701 176.600 -0.032 0.000 1.038 226 E CA -0.739 55.661 56.400 0.000 0.000 0.921 226 E CB 0.463 30.169 29.700 0.009 0.000 0.950 226 E HN 0.280 nan 8.360 nan 0.000 0.438 227 V N 0.730 120.612 119.914 -0.055 0.000 3.455 227 V HA 0.123 4.243 4.120 -0.000 0.000 0.250 227 V C -0.092 175.965 176.094 -0.063 0.000 1.230 227 V CA 1.187 63.439 62.300 -0.079 0.000 1.105 227 V CB 0.338 32.080 31.823 -0.136 0.000 0.850 227 V HN 0.844 nan 8.190 nan 0.000 0.461 228 S N -1.213 114.456 115.700 -0.050 0.000 2.550 228 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 228 S C -1.237 173.348 174.600 -0.024 0.000 1.145 228 S CA -0.643 57.535 58.200 -0.037 0.000 0.852 228 S CB 2.206 65.380 63.200 -0.042 0.000 1.119 228 S HN -0.116 nan 8.310 nan 0.000 0.465 229 V N 1.681 121.584 119.914 -0.019 0.000 2.459 229 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 229 V C -0.076 176.011 176.094 -0.012 0.000 1.029 229 V CA -0.574 61.719 62.300 -0.012 0.000 0.874 229 V CB 1.513 33.331 31.823 -0.009 0.000 0.985 229 V HN 1.048 nan 8.190 nan 0.000 0.438 230 D N 2.123 122.517 120.400 -0.009 0.000 2.329 230 D HA 0.163 4.803 4.640 -0.000 0.000 0.246 230 D C 1.013 177.309 176.300 -0.006 0.000 1.111 230 D CA -0.075 53.920 54.000 -0.008 0.000 0.941 230 D CB 1.265 42.062 40.800 -0.006 0.000 1.169 230 D HN 0.693 nan 8.370 nan 0.000 0.441 231 E N 1.446 121.642 120.200 -0.006 0.000 2.004 231 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 231 E C 1.734 178.332 176.600 -0.003 0.000 0.987 231 E CA 1.081 57.478 56.400 -0.005 0.000 0.822 231 E CB -0.463 29.234 29.700 -0.005 0.000 0.779 231 E HN 0.634 nan 8.360 nan 0.000 0.458 232 G N 0.714 109.513 108.800 -0.001 0.000 2.666 232 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 232 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 232 G C 0.803 175.704 174.900 0.001 0.000 1.294 232 G CA 1.572 46.672 45.100 0.000 0.000 0.811 232 G HN 0.526 nan 8.290 nan 0.000 0.594 233 T N -1.130 113.426 114.554 0.002 0.000 2.937 233 T HA 0.366 4.716 4.350 -0.000 0.000 0.316 233 T C 1.447 176.149 174.700 0.002 0.000 1.079 233 T CA 0.309 62.411 62.100 0.004 0.000 1.131 233 T CB 1.449 70.321 68.868 0.006 0.000 1.000 233 T HN 0.448 nan 8.240 nan 0.000 0.549 234 G N 1.562 110.364 108.800 0.003 0.000 2.990 234 G HA2 0.175 4.135 3.960 -0.000 0.000 0.206 234 G HA3 0.175 4.135 3.960 -0.000 0.000 0.206 234 G C 0.650 175.552 174.900 0.003 0.000 1.169 234 G CA 0.014 45.115 45.100 0.002 0.000 0.819 234 G HN 1.120 nan 8.290 nan 0.000 0.517 235 S N -0.360 115.343 115.700 0.004 0.000 2.549 235 S HA 0.494 4.964 4.470 -0.000 0.000 0.279 235 S C -0.169 174.433 174.600 0.004 0.000 1.321 235 S CA -0.664 57.540 58.200 0.007 0.000 1.054 235 S CB 2.083 65.288 63.200 0.009 0.000 0.899 235 S HN 0.002 nan 8.310 nan 0.000 0.497 236 V N 2.760 122.678 119.914 0.008 0.000 2.581 236 V HA 0.525 4.645 4.120 -0.000 0.000 0.303 236 V C 0.240 176.336 176.094 0.004 0.000 1.041 236 V CA -0.695 61.609 62.300 0.006 0.000 0.907 236 V CB 1.986 33.819 31.823 0.016 0.000 0.994 236 V HN 1.041 nan 8.190 nan 0.000 0.442 237 T N 5.850 120.398 114.554 -0.011 0.000 2.779 237 T HA 0.676 5.026 4.350 -0.000 0.000 0.280 237 T C -0.181 174.499 174.700 -0.034 0.000 0.987 237 T CA -0.134 61.951 62.100 -0.025 0.000 0.966 237 T CB 0.784 69.626 68.868 -0.044 0.000 0.933 237 T HN 0.647 nan 8.240 nan 0.000 0.442 238 I N 0.294 120.845 120.570 -0.031 0.000 3.264 238 I HA 0.818 4.988 4.170 -0.000 0.000 0.309 238 I C -0.789 175.270 176.117 -0.096 0.000 1.099 238 I CA -1.687 59.579 61.300 -0.056 0.000 0.989 238 I CB 2.019 40.011 38.000 -0.014 0.000 1.250 238 I HN 0.338 nan 8.210 nan 0.000 0.478 239 R N 1.290 121.711 120.500 -0.132 0.000 2.628 239 R HA 0.753 5.093 4.340 -0.000 0.000 0.288 239 R C -1.040 175.214 176.300 -0.076 0.000 0.980 239 R CA -0.717 55.308 56.100 -0.124 0.000 0.891 239 R CB 2.196 32.319 30.300 -0.296 0.000 1.188 239 R HN 0.878 nan 8.270 nan 0.000 0.450 240 A N 2.084 124.900 122.820 -0.006 0.000 2.282 240 A HA 0.697 5.017 4.320 -0.000 0.000 0.319 240 A C -0.630 176.969 177.584 0.024 0.000 1.121 240 A CA -0.579 51.410 52.037 -0.080 0.000 0.836 240 A CB 1.235 20.181 19.000 -0.090 0.000 1.146 240 A HN 0.400 nan 8.150 nan 0.000 0.494 241 V N 1.359 121.137 119.914 -0.228 0.000 2.409 241 V HA 0.424 4.544 4.120 -0.000 0.000 0.290 241 V C -1.366 174.461 176.094 -0.446 0.000 1.017 241 V CA -0.071 62.137 62.300 -0.154 0.000 0.841 241 V CB 0.594 32.389 31.823 -0.045 0.000 1.003 241 V HN 0.688 nan 8.190 nan 0.000 0.426 242 F N 6.118 126.000 119.950 -0.114 0.000 2.467 242 F HA 0.581 5.108 4.527 -0.000 0.000 0.336 242 F C -2.014 173.701 175.800 -0.141 0.000 1.123 242 F CA -2.610 55.319 58.000 -0.119 0.000 0.964 242 F CB 2.279 41.158 39.000 -0.201 0.000 1.136 242 F HN 0.296 nan 8.300 nan 0.000 0.447 243 P HA -0.043 nan 4.420 nan 0.000 0.265 243 P C -0.630 176.751 177.300 0.135 0.000 1.187 243 P CA 0.189 63.317 63.100 0.046 0.000 0.766 243 P CB 0.632 32.371 31.700 0.066 0.000 0.820 244 N N 3.237 121.967 118.700 0.050 0.000 2.733 244 N HA 0.191 4.931 4.740 -0.000 0.000 0.271 244 N C -1.899 173.636 175.510 0.040 0.000 1.720 244 N CA -2.040 51.059 53.050 0.082 0.000 0.803 244 N CB 0.458 38.952 38.487 0.012 0.000 1.208 244 N HN 0.135 nan 8.380 nan 0.000 0.498 245 P HA -0.002 nan 4.420 nan 0.000 0.224 245 P C -0.749 176.556 177.300 0.009 0.000 1.157 245 P CA 0.857 63.962 63.100 0.010 0.000 0.799 245 P CB 0.233 31.935 31.700 0.004 0.000 0.809 246 N N 0.287 119.000 118.700 0.021 0.000 2.321 246 N HA 0.132 4.872 4.740 -0.000 0.000 0.299 246 N C -0.583 174.950 175.510 0.038 0.000 1.048 246 N CA -0.684 52.378 53.050 0.019 0.000 0.836 246 N CB 0.430 38.923 38.487 0.009 0.000 1.269 246 N HN -0.261 nan 8.380 nan 0.000 0.486 247 N N 1.180 119.897 118.700 0.027 0.000 3.115 247 N HA 0.002 4.742 4.740 -0.000 0.000 0.305 247 N C 0.628 176.162 175.510 0.041 0.000 1.305 247 N CA 0.069 53.136 53.050 0.028 0.000 1.154 247 N CB -0.068 38.427 38.487 0.014 0.000 1.454 247 N HN 0.597 nan 8.380 nan 0.000 0.551 248 E N -0.350 119.894 120.200 0.073 0.000 2.110 248 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 248 E C 0.028 176.670 176.600 0.069 0.000 0.988 248 E CA 0.684 57.139 56.400 0.091 0.000 0.804 248 E CB 0.170 29.969 29.700 0.165 0.000 0.745 248 E HN 0.425 nan 8.360 nan 0.000 0.458 249 L N 1.772 123.020 121.223 0.043 0.000 2.326 249 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 249 L C -0.226 176.630 176.870 -0.024 0.000 1.092 249 L CA -0.299 54.518 54.840 -0.040 0.000 0.810 249 L CB 0.742 42.707 42.059 -0.157 0.000 1.153 249 L HN 0.009 nan 8.230 nan 0.000 0.439 250 L N 3.663 124.870 121.223 -0.026 0.000 2.388 250 L HA 0.516 4.856 4.340 -0.000 0.000 0.264 250 L C -2.433 174.421 176.870 -0.027 0.000 0.998 250 L CA -2.136 52.695 54.840 -0.015 0.000 0.817 250 L CB 2.567 44.626 42.059 -0.001 0.000 1.338 250 L HN 0.296 nan 8.230 nan 0.000 0.414 251 P HA 0.107 nan 4.420 nan 0.000 0.264 251 P C 0.678 177.942 177.300 -0.060 0.000 1.183 251 P CA 0.829 63.910 63.100 -0.032 0.000 0.763 251 P CB 0.744 32.436 31.700 -0.015 0.000 0.807 252 G N 1.870 110.601 108.800 -0.115 0.000 2.259 252 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 252 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 252 G C 0.225 174.949 174.900 -0.294 0.000 1.001 252 G CA -0.301 44.685 45.100 -0.191 0.000 0.627 252 G HN 0.456 nan 8.290 nan 0.000 0.501 253 M N 1.060 120.572 119.600 -0.148 0.000 2.250 253 M HA 0.402 4.882 4.480 -0.000 0.000 0.337 253 M C -0.134 176.065 176.300 -0.169 0.000 1.161 253 M CA 0.582 55.850 55.300 -0.053 0.000 1.088 253 M CB 0.033 32.630 32.600 -0.005 0.000 1.639 253 M HN 0.109 nan 8.290 nan 0.000 0.447 254 F N 2.392 122.316 119.950 -0.043 0.000 2.408 254 F HA 0.629 5.156 4.527 0.000 0.000 0.344 254 F C 0.282 176.026 175.800 -0.094 0.000 1.112 254 F CA -0.926 57.031 58.000 -0.072 0.000 1.096 254 F CB 0.620 39.591 39.000 -0.047 0.000 1.129 254 F HN 0.361 nan 8.300 nan 0.000 0.486 255 V N -0.691 119.209 119.914 -0.024 0.000 3.181 255 V HA 0.613 4.733 4.120 -0.000 0.000 0.307 255 V C -1.350 174.554 176.094 -0.317 0.000 1.310 255 V CA -0.900 61.355 62.300 -0.075 0.000 1.067 255 V CB 2.588 34.355 31.823 -0.092 0.000 1.081 255 V HN 0.725 nan 8.190 nan 0.000 0.453 256 H N 0.653 119.728 119.070 0.010 0.000 2.823 256 H HA 0.762 5.318 4.556 -0.000 0.000 0.332 256 H C -0.121 175.223 175.328 0.028 0.000 0.980 256 H CA 0.206 56.272 56.048 0.028 0.000 1.286 256 H CB 1.924 31.706 29.762 0.033 0.000 1.541 256 H HN 1.163 nan 8.280 nan 0.000 0.521 257 A N 3.458 126.358 122.820 0.134 0.000 2.327 257 A HA 0.397 4.717 4.320 -0.000 0.000 0.283 257 A C -0.122 177.565 177.584 0.171 0.000 1.127 257 A CA -0.510 51.633 52.037 0.177 0.000 0.810 257 A CB 0.703 19.824 19.000 0.202 0.000 1.066 257 A HN 0.745 nan 8.150 nan 0.000 0.492 258 Q N 1.129 121.033 119.800 0.173 0.000 2.310 258 Q HA 0.554 4.894 4.340 -0.000 0.000 0.270 258 Q C -1.517 174.557 176.000 0.124 0.000 1.025 258 Q CA -0.170 55.714 55.803 0.135 0.000 0.772 258 Q CB 2.334 31.141 28.738 0.115 0.000 1.253 258 Q HN 0.683 nan 8.270 nan 0.000 0.450 259 L N 2.685 123.972 121.223 0.106 0.000 2.305 259 L HA 0.355 4.695 4.340 -0.000 0.000 0.284 259 L C -0.520 176.397 176.870 0.079 0.000 1.013 259 L CA -0.980 53.919 54.840 0.097 0.000 0.819 259 L CB 1.527 43.651 42.059 0.108 0.000 1.227 259 L HN 0.398 nan 8.230 nan 0.000 0.417 260 Q N 2.917 122.760 119.800 0.072 0.000 2.314 260 Q HA 0.176 4.516 4.340 -0.000 0.000 0.257 260 Q C -0.079 175.953 176.000 0.053 0.000 0.975 260 Q CA 0.218 56.055 55.803 0.057 0.000 0.933 260 Q CB 1.155 29.924 28.738 0.052 0.000 1.195 260 Q HN 0.484 nan 8.270 nan 0.000 0.426 261 E N 1.312 121.539 120.200 0.046 0.000 2.496 261 E HA 0.347 4.697 4.350 -0.000 0.000 0.200 261 E C 0.414 177.032 176.600 0.030 0.000 1.016 261 E CA 0.012 56.436 56.400 0.040 0.000 0.962 261 E CB 0.400 30.123 29.700 0.039 0.000 1.071 261 E HN 0.891 nan 8.360 nan 0.000 0.457 262 G N 0.060 108.878 108.800 0.029 0.000 2.693 262 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 262 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 262 G C -0.264 174.648 174.900 0.019 0.000 1.354 262 G CA -0.457 44.657 45.100 0.023 0.000 0.873 262 G HN 0.113 nan 8.290 nan 0.000 0.562 263 V N 0.000 119.923 119.914 0.016 0.000 2.409 263 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 263 V CA 0.000 62.308 62.300 0.013 0.000 1.235 263 V CB 0.000 31.830 31.823 0.012 0.000 1.184 263 V HN 0.000 nan 8.190 nan 0.000 0.556