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 3mdv_1_B DATA FIRST_RESID 59 DATA SEQUENCE VLQDVFLDWA KKYGPVVRVN VFHKTSVIVT SPESVKKFLM STKYNKDSKM DATA SEQUENCE YRALQTVFGE RLFGQGLVSE CNYERWHKQR RVIDLAFSRS SLVSLMETFN DATA SEQUENCE EKAEQLVEIL EAKADGQTPV SMQDMLTYTA MDILAKAAFG METSMLLGAQ DATA SEQUENCE KPLSQAVKLM LEGITASRNT XXXXXXXKRK QLREVRESIR FLRQVGRDWV DATA SEQUENCE QRRREALKRG EEVPADILTQ ILKAEEGAQD DEGLLDNFVT FFIAGHETSA DATA SEQUENCE NHLAFTVMEL SRQPEIVARL QAEVDEVIGS KRYLDFEDLG RLQYLSQVLK DATA SEQUENCE ESLRLYPPAW GTFRLLEEET LIDGVRVPGN TPLLFSTYVM GRMDTYFEDP DATA SEQUENCE LTFNPDRFGP GAPKPRFTYF PFSLGHRSCI GQQFAQMEVK VVMAKLLQRL DATA SEQUENCE EFRLVPGQRF GLQEQATLKP LDPVLCTLRP R 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 59 V HA 0.000 nan 4.120 nan 0.000 0.244 59 V C 0.000 175.856 176.094 -0.397 0.000 1.182 59 V CA 0.000 62.158 62.300 -0.236 0.000 1.235 59 V CB 0.000 31.709 31.823 -0.189 0.000 1.184 60 L N 3.343 124.272 121.223 -0.489 0.000 2.021 60 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 60 L C 2.518 178.692 176.870 -1.161 0.000 1.074 60 L CA 2.275 56.630 54.840 -0.808 0.000 0.760 60 L CB -0.389 41.202 42.059 -0.780 0.000 0.889 60 L HN 0.830 nan 8.230 nan 0.000 0.433 61 Q N -0.647 118.572 119.800 -0.968 0.000 2.197 61 Q HA -0.219 4.121 4.340 -0.000 0.000 0.207 61 Q C 1.921 177.692 176.000 -0.381 0.000 0.984 61 Q CA 1.746 57.051 55.803 -0.830 0.000 0.869 61 Q CB -0.468 27.615 28.738 -1.091 0.000 0.906 61 Q HN 0.620 nan 8.270 nan 0.000 0.426 62 D N -0.568 119.642 120.400 -0.316 0.000 2.277 62 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 62 D C 1.906 178.051 176.300 -0.257 0.000 0.962 62 D CA 0.335 54.262 54.000 -0.121 0.000 0.865 62 D CB 0.361 41.108 40.800 -0.088 0.000 0.939 62 D HN 0.047 nan 8.370 nan 0.000 0.510 63 V N 0.818 120.441 119.914 -0.485 0.000 2.453 63 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 63 V C 2.103 177.763 176.094 -0.724 0.000 1.048 63 V CA 0.971 62.856 62.300 -0.692 0.000 1.049 63 V CB -0.470 30.826 31.823 -0.878 0.000 0.672 63 V HN 0.054 nan 8.190 nan 0.000 0.457 64 F N -0.100 119.506 119.950 -0.573 0.000 2.171 64 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 64 F C 2.130 177.847 175.800 -0.140 0.000 1.090 64 F CA 0.896 58.692 58.000 -0.340 0.000 1.293 64 F CB -1.209 37.631 39.000 -0.266 0.000 1.013 64 F HN 0.146 nan 8.300 nan 0.000 0.486 65 L N 0.528 121.787 121.223 0.060 0.000 2.012 65 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 65 L C 1.978 178.871 176.870 0.038 0.000 1.073 65 L CA 1.995 56.869 54.840 0.058 0.000 0.748 65 L CB -0.988 41.087 42.059 0.026 0.000 0.891 65 L HN -0.050 nan 8.230 nan 0.000 0.431 66 D N -1.012 119.370 120.400 -0.030 0.000 2.097 66 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 66 D C 2.008 178.412 176.300 0.173 0.000 0.989 66 D CA 1.425 55.431 54.000 0.009 0.000 0.827 66 D CB -0.410 40.359 40.800 -0.051 0.000 0.966 66 D HN 0.464 nan 8.370 nan 0.000 0.456 67 W N 1.467 122.836 121.300 0.116 0.000 2.388 67 W HA 0.122 4.781 4.660 -0.000 0.000 0.294 67 W C 2.524 179.138 176.519 0.158 0.000 1.212 67 W CA 0.359 57.837 57.345 0.221 0.000 1.271 67 W CB -1.284 28.377 29.460 0.334 0.000 1.126 67 W HN -0.043 nan 8.180 nan 0.000 0.535 68 A N 0.595 123.605 122.820 0.318 0.000 1.933 68 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 68 A C 2.034 179.685 177.584 0.112 0.000 1.175 68 A CA 1.939 54.093 52.037 0.196 0.000 0.628 68 A CB -0.581 18.516 19.000 0.161 0.000 0.814 68 A HN 0.301 nan 8.150 nan 0.000 0.444 69 K N -0.802 119.636 120.400 0.063 0.000 2.186 69 K HA -0.023 4.296 4.320 -0.000 0.000 0.202 69 K C 2.116 178.680 176.600 -0.059 0.000 1.052 69 K CA 1.316 57.597 56.287 -0.009 0.000 0.965 69 K CB -0.003 32.481 32.500 -0.028 0.000 0.746 69 K HN 0.485 nan 8.250 nan 0.000 0.457 70 K N -0.079 120.247 120.400 -0.123 0.000 2.098 70 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 70 K C 0.769 177.163 176.600 -0.343 0.000 1.051 70 K CA 1.019 57.101 56.287 -0.341 0.000 0.957 70 K CB 0.244 32.357 32.500 -0.644 0.000 0.738 70 K HN 0.047 nan 8.250 nan 0.000 0.447 71 Y N -0.086 120.248 120.300 0.057 0.000 2.531 71 Y HA 0.360 4.909 4.550 -0.000 0.000 0.249 71 Y C 0.688 176.600 175.900 0.020 0.000 1.168 71 Y CA -0.013 58.097 58.100 0.018 0.000 1.226 71 Y CB 1.063 39.514 38.460 -0.016 0.000 1.177 71 Y HN 0.302 nan 8.280 nan 0.000 0.527 72 G N 1.314 110.193 108.800 0.133 0.000 2.582 72 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.222 72 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.222 72 G C -2.190 172.771 174.900 0.103 0.000 1.311 72 G CA -0.442 44.713 45.100 0.093 0.000 0.915 72 G HN -0.024 nan 8.290 nan 0.000 0.528 73 P HA 0.330 nan 4.420 nan 0.000 0.253 73 P C 0.007 177.348 177.300 0.069 0.000 1.260 73 P CA 0.584 63.744 63.100 0.101 0.000 0.800 73 P CB 0.362 32.127 31.700 0.109 0.000 1.162 74 V N 0.316 120.260 119.914 0.050 0.000 2.559 74 V HA 0.226 4.346 4.120 -0.000 0.000 0.289 74 V C -0.620 175.471 176.094 -0.005 0.000 1.036 74 V CA -0.597 61.708 62.300 0.007 0.000 0.887 74 V CB 2.613 34.438 31.823 0.004 0.000 1.022 74 V HN -0.291 nan 8.190 nan 0.000 0.442 75 V N 4.435 124.331 119.914 -0.030 0.000 2.623 75 V HA 0.521 4.641 4.120 -0.000 0.000 0.304 75 V C 0.045 176.082 176.094 -0.095 0.000 1.054 75 V CA -0.859 61.415 62.300 -0.043 0.000 0.882 75 V CB 2.203 34.058 31.823 0.055 0.000 1.002 75 V HN 0.879 nan 8.190 nan 0.000 0.424 76 R N 3.707 124.132 120.500 -0.126 0.000 2.347 76 R HA 0.635 4.975 4.340 -0.000 0.000 0.304 76 R C -0.565 175.665 176.300 -0.116 0.000 1.072 76 R CA -0.093 55.933 56.100 -0.124 0.000 0.980 76 R CB 1.100 31.326 30.300 -0.123 0.000 0.986 76 R HN 0.735 nan 8.270 nan 0.000 0.448 77 V N 0.905 120.771 119.914 -0.079 0.000 3.141 77 V HA 0.573 4.692 4.120 -0.000 0.000 0.312 77 V C -1.233 174.885 176.094 0.040 0.000 1.157 77 V CA -1.346 60.963 62.300 0.015 0.000 1.041 77 V CB 2.415 34.192 31.823 -0.077 0.000 1.071 77 V HN 0.732 nan 8.190 nan 0.000 0.441 78 N N 0.986 119.770 118.700 0.140 0.000 2.444 78 N HA 0.704 5.443 4.740 -0.000 0.000 0.262 78 N C -1.051 174.537 175.510 0.130 0.000 0.974 78 N CA -0.201 52.918 53.050 0.114 0.000 0.933 78 N CB 1.567 40.125 38.487 0.119 0.000 1.137 78 N HN 0.813 nan 8.380 nan 0.000 0.498 79 V N 4.457 124.395 119.914 0.040 0.000 2.569 79 V HA 0.443 4.563 4.120 -0.000 0.000 0.301 79 V C -0.656 175.341 176.094 -0.161 0.000 1.044 79 V CA -0.613 61.621 62.300 -0.110 0.000 0.874 79 V CB -0.130 31.651 31.823 -0.069 0.000 1.002 79 V HN 0.827 nan 8.190 nan 0.000 0.424 80 F N 6.433 126.364 119.950 -0.031 0.000 3.090 80 F HA -0.260 4.267 4.527 -0.000 0.000 0.282 80 F C 0.986 176.633 175.800 -0.256 0.000 0.923 80 F CA 1.172 59.039 58.000 -0.222 0.000 0.977 80 F CB -2.058 36.879 39.000 -0.104 0.000 0.954 80 F HN 1.045 nan 8.300 nan 0.000 0.695 81 H N -3.113 116.052 119.070 0.158 0.000 3.132 81 H HA -0.161 4.395 4.556 -0.000 0.000 0.237 81 H C 0.280 175.644 175.328 0.060 0.000 1.189 81 H CA 1.010 57.116 56.048 0.097 0.000 1.129 81 H CB -1.127 28.689 29.762 0.091 0.000 1.225 81 H HN 0.513 nan 8.280 nan 0.000 0.323 82 K N 0.411 120.884 120.400 0.122 0.000 2.443 82 K HA 0.464 4.784 4.320 -0.000 0.000 0.251 82 K C -0.370 176.247 176.600 0.028 0.000 0.972 82 K CA -0.631 55.692 56.287 0.060 0.000 0.833 82 K CB 1.950 34.459 32.500 0.016 0.000 1.317 82 K HN 0.027 nan 8.250 nan 0.000 0.441 83 T N 1.329 115.890 114.554 0.012 0.000 2.851 83 T HA 0.303 4.653 4.350 -0.000 0.000 0.298 83 T C -0.092 174.595 174.700 -0.021 0.000 0.977 83 T CA -0.427 61.669 62.100 -0.007 0.000 1.126 83 T CB 0.477 69.336 68.868 -0.015 0.000 0.916 83 T HN 0.667 nan 8.240 nan 0.000 0.529 84 S N 1.215 116.898 115.700 -0.029 0.000 2.720 84 S HA 0.765 5.235 4.470 -0.000 0.000 0.287 84 S C -1.150 173.407 174.600 -0.072 0.000 1.168 84 S CA -0.918 57.265 58.200 -0.027 0.000 0.832 84 S CB 1.398 64.628 63.200 0.051 0.000 1.166 84 S HN 0.426 nan 8.310 nan 0.000 0.493 85 V N 1.563 121.418 119.914 -0.098 0.000 2.407 85 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 85 V C -0.429 175.538 176.094 -0.212 0.000 1.018 85 V CA -0.680 61.533 62.300 -0.145 0.000 0.842 85 V CB 1.335 33.077 31.823 -0.135 0.000 0.996 85 V HN 0.885 nan 8.190 nan 0.000 0.426 86 I N 6.000 126.436 120.570 -0.223 0.000 2.416 86 I HA 0.394 4.564 4.170 -0.000 0.000 0.288 86 I C -0.710 175.294 176.117 -0.188 0.000 1.051 86 I CA 0.124 61.273 61.300 -0.252 0.000 1.375 86 I CB 1.016 38.842 38.000 -0.292 0.000 1.407 86 I HN 0.355 nan 8.210 nan 0.000 0.516 87 V N 6.803 126.559 119.914 -0.263 0.000 2.378 87 V HA 0.299 4.418 4.120 -0.000 0.000 0.288 87 V C 0.623 176.724 176.094 0.012 0.000 1.016 87 V CA -0.164 62.037 62.300 -0.165 0.000 0.840 87 V CB 1.483 33.091 31.823 -0.358 0.000 0.994 87 V HN 0.888 nan 8.190 nan 0.000 0.431 88 T N -0.837 113.784 114.554 0.111 0.000 3.170 88 T HA 0.162 4.512 4.350 -0.000 0.000 0.288 88 T C 0.554 175.403 174.700 0.249 0.000 0.992 88 T CA 0.179 62.406 62.100 0.212 0.000 0.909 88 T CB 0.222 69.234 68.868 0.240 0.000 1.133 88 T HN 0.640 nan 8.240 nan 0.000 0.530 89 S N 1.655 117.470 115.700 0.192 0.000 2.584 89 S HA 0.428 4.898 4.470 -0.000 0.000 0.273 89 S C -1.891 172.752 174.600 0.072 0.000 1.311 89 S CA -1.085 57.216 58.200 0.168 0.000 1.034 89 S CB 1.456 64.735 63.200 0.132 0.000 0.939 89 S HN -0.063 nan 8.310 nan 0.000 0.513 90 P HA 0.007 nan 4.420 nan 0.000 0.221 90 P C 0.873 178.138 177.300 -0.057 0.000 1.150 90 P CA 0.924 64.019 63.100 -0.008 0.000 0.800 90 P CB 0.033 31.726 31.700 -0.011 0.000 0.787 91 E N -0.575 119.589 120.200 -0.061 0.000 2.077 91 E HA -0.102 4.247 4.350 -0.000 0.000 0.193 91 E C 2.146 178.636 176.600 -0.183 0.000 0.989 91 E CA 1.355 57.667 56.400 -0.146 0.000 0.800 91 E CB -0.971 28.681 29.700 -0.079 0.000 0.746 91 E HN 0.128 nan 8.360 nan 0.000 0.452 92 S N -0.230 115.440 115.700 -0.051 0.000 2.383 92 S HA -0.093 4.376 4.470 -0.000 0.000 0.227 92 S C 2.062 176.732 174.600 0.117 0.000 1.026 92 S CA 0.796 59.028 58.200 0.053 0.000 0.981 92 S CB -0.118 63.219 63.200 0.227 0.000 0.818 92 S HN 0.052 nan 8.310 nan 0.000 0.472 93 V N 2.075 122.018 119.914 0.048 0.000 2.343 93 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 93 V C 2.391 178.269 176.094 -0.360 0.000 1.051 93 V CA 1.745 63.980 62.300 -0.108 0.000 1.036 93 V CB -0.509 31.255 31.823 -0.097 0.000 0.654 93 V HN 0.443 nan 8.190 nan 0.000 0.451 94 K N 0.674 120.737 120.400 -0.563 0.000 2.001 94 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 94 K C 2.307 178.586 176.600 -0.534 0.000 1.048 94 K CA 2.014 57.758 56.287 -0.906 0.000 0.932 94 K CB -0.193 31.454 32.500 -1.422 0.000 0.715 94 K HN 0.407 nan 8.250 nan 0.000 0.437 95 K N -0.311 119.791 120.400 -0.498 0.000 2.009 95 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 95 K C 1.862 178.113 176.600 -0.581 0.000 1.049 95 K CA 1.983 57.930 56.287 -0.567 0.000 0.929 95 K CB -0.207 31.811 32.500 -0.803 0.000 0.714 95 K HN 0.096 nan 8.250 nan 0.000 0.440 96 F N 0.673 120.399 119.950 -0.374 0.000 2.335 96 F HA 0.082 4.609 4.527 -0.000 0.000 0.296 96 F C 1.884 177.475 175.800 -0.350 0.000 1.091 96 F CA 0.572 58.249 58.000 -0.538 0.000 1.399 96 F CB -0.018 38.729 39.000 -0.422 0.000 1.067 96 F HN -0.031 nan 8.300 nan 0.000 0.520 97 L N -1.008 120.042 121.223 -0.288 0.000 2.307 97 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 97 L C 1.614 178.421 176.870 -0.106 0.000 1.099 97 L CA 0.458 55.119 54.840 -0.298 0.000 0.816 97 L CB -0.272 41.487 42.059 -0.500 0.000 0.952 97 L HN 0.077 nan 8.230 nan 0.000 0.455 98 M N -0.858 118.687 119.600 -0.091 0.000 2.505 98 M HA 0.150 4.630 4.480 -0.000 0.000 0.230 98 M C 0.430 176.754 176.300 0.040 0.000 1.153 98 M CA 0.351 55.646 55.300 -0.008 0.000 0.997 98 M CB -0.240 32.334 32.600 -0.044 0.000 1.606 98 M HN -0.034 nan 8.290 nan 0.000 0.481 99 S N 0.203 115.962 115.700 0.099 0.000 2.557 99 S HA 0.327 4.796 4.470 -0.000 0.000 0.291 99 S C 1.123 175.770 174.600 0.077 0.000 1.116 99 S CA -0.440 57.812 58.200 0.088 0.000 0.992 99 S CB 1.227 64.501 63.200 0.123 0.000 1.028 99 S HN 0.510 nan 8.310 nan 0.000 0.484 100 T N 2.300 116.748 114.554 -0.175 0.000 3.077 100 T HA -0.039 4.310 4.350 -0.000 0.000 0.269 100 T C 1.509 175.909 174.700 -0.500 0.000 1.146 100 T CA 0.940 62.670 62.100 -0.617 0.000 1.091 100 T CB -0.289 68.121 68.868 -0.764 0.000 0.892 100 T HN 0.556 nan 8.240 nan 0.000 0.533 101 K N 0.393 120.586 120.400 -0.344 0.000 2.103 101 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 101 K C -0.226 176.078 176.600 -0.493 0.000 1.048 101 K CA 0.961 56.956 56.287 -0.488 0.000 0.930 101 K CB -0.236 31.849 32.500 -0.691 0.000 0.716 101 K HN 0.584 nan 8.250 nan 0.000 0.444 102 Y N 0.705 121.032 120.300 0.045 0.000 2.330 102 Y HA 0.332 4.882 4.550 -0.000 0.000 0.336 102 Y C 0.247 176.224 175.900 0.128 0.000 1.036 102 Y CA -0.995 57.176 58.100 0.118 0.000 1.125 102 Y CB 1.160 39.747 38.460 0.213 0.000 1.194 102 Y HN -0.051 nan 8.280 nan 0.000 0.469 103 N N 1.743 120.578 118.700 0.225 0.000 2.469 103 N HA 0.322 5.061 4.740 -0.000 0.000 0.286 103 N C -1.048 174.530 175.510 0.114 0.000 1.275 103 N CA -1.047 52.094 53.050 0.151 0.000 0.790 103 N CB 1.868 40.439 38.487 0.140 0.000 1.446 103 N HN 0.499 nan 8.380 nan 0.000 0.501 104 K N 0.537 120.940 120.400 0.005 0.000 2.414 104 K HA 0.007 4.327 4.320 -0.000 0.000 0.272 104 K C -0.468 176.217 176.600 0.142 0.000 0.993 104 K CA 0.023 56.326 56.287 0.027 0.000 0.964 104 K CB 0.438 32.719 32.500 -0.365 0.000 0.925 104 K HN 0.392 nan 8.250 nan 0.000 0.487 105 D N 1.221 121.807 120.400 0.309 0.000 2.339 105 D HA 0.016 4.655 4.640 -0.000 0.000 0.241 105 D C 0.844 177.310 176.300 0.277 0.000 1.183 105 D CA -0.058 54.085 54.000 0.238 0.000 0.859 105 D CB 0.945 41.851 40.800 0.177 0.000 1.067 105 D HN 0.480 nan 8.370 nan 0.000 0.484 106 S N 3.932 119.736 115.700 0.174 0.000 2.400 106 S HA -0.217 4.253 4.470 -0.000 0.000 0.232 106 S C 1.757 176.432 174.600 0.124 0.000 1.025 106 S CA 0.720 59.017 58.200 0.162 0.000 0.993 106 S CB -0.056 63.207 63.200 0.105 0.000 0.808 106 S HN 0.523 nan 8.310 nan 0.000 0.478 107 K N 0.068 120.512 120.400 0.073 0.000 2.113 107 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 107 K C 1.863 178.438 176.600 -0.042 0.000 1.047 107 K CA 1.612 57.910 56.287 0.018 0.000 0.928 107 K CB -0.193 32.307 32.500 -0.001 0.000 0.716 107 K HN 0.346 nan 8.250 nan 0.000 0.446 108 M N -1.292 118.249 119.600 -0.098 0.000 2.435 108 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 108 M C 1.293 177.407 176.300 -0.309 0.000 1.104 108 M CA 1.348 56.451 55.300 -0.329 0.000 1.140 108 M CB -0.420 31.714 32.600 -0.776 0.000 1.372 108 M HN 0.092 nan 8.290 nan 0.000 0.456 109 Y N -0.441 119.841 120.300 -0.030 0.000 2.500 109 Y HA 0.173 4.723 4.550 -0.000 0.000 0.270 109 Y C 2.367 178.272 175.900 0.008 0.000 1.134 109 Y CA 0.229 58.331 58.100 0.003 0.000 1.293 109 Y CB -0.194 38.282 38.460 0.028 0.000 1.063 109 Y HN 0.134 nan 8.280 nan 0.000 0.534 110 R N 0.168 120.733 120.500 0.108 0.000 2.105 110 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 110 R C 2.415 178.732 176.300 0.028 0.000 1.135 110 R CA 1.156 57.297 56.100 0.069 0.000 0.967 110 R CB -0.383 29.945 30.300 0.048 0.000 0.861 110 R HN 0.353 nan 8.270 nan 0.000 0.442 111 A N 0.822 123.629 122.820 -0.022 0.000 1.940 111 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 111 A C 2.045 179.594 177.584 -0.058 0.000 1.176 111 A CA 1.316 53.310 52.037 -0.071 0.000 0.631 111 A CB -0.419 18.489 19.000 -0.154 0.000 0.814 111 A HN 0.241 nan 8.150 nan 0.000 0.446 112 L N -1.268 119.966 121.223 0.018 0.000 2.341 112 L HA -0.111 4.228 4.340 -0.000 0.000 0.214 112 L C 2.658 179.625 176.870 0.163 0.000 1.115 112 L CA 0.674 55.598 54.840 0.141 0.000 0.820 112 L CB -0.395 41.830 42.059 0.276 0.000 0.944 112 L HN 0.452 nan 8.230 nan 0.000 0.452 113 Q N -0.571 119.299 119.800 0.118 0.000 2.119 113 Q HA -0.035 4.305 4.340 -0.000 0.000 0.201 113 Q C -0.007 175.999 176.000 0.011 0.000 0.972 113 Q CA 1.007 56.867 55.803 0.096 0.000 0.847 113 Q CB 0.163 28.958 28.738 0.095 0.000 0.903 113 Q HN 0.317 nan 8.270 nan 0.000 0.433 114 T N -0.115 114.424 114.554 -0.026 0.000 2.993 114 T HA 0.479 4.829 4.350 -0.000 0.000 0.312 114 T C -1.379 173.261 174.700 -0.100 0.000 1.115 114 T CA -0.576 61.490 62.100 -0.055 0.000 1.027 114 T CB 2.314 71.174 68.868 -0.014 0.000 1.116 114 T HN -0.218 nan 8.240 nan 0.000 0.464 115 V N 4.178 124.011 119.914 -0.136 0.000 2.482 115 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 115 V C -0.620 175.397 176.094 -0.128 0.000 1.026 115 V CA -0.794 61.356 62.300 -0.250 0.000 0.856 115 V CB 0.819 32.426 31.823 -0.361 0.000 1.001 115 V HN 0.988 nan 8.190 nan 0.000 0.424 116 F N 3.898 123.837 119.950 -0.018 0.000 3.027 116 F HA -0.193 4.334 4.527 -0.000 0.000 0.276 116 F C 1.572 177.364 175.800 -0.015 0.000 0.967 116 F CA 1.461 59.453 58.000 -0.012 0.000 0.929 116 F CB -1.699 37.293 39.000 -0.013 0.000 0.873 116 F HN 1.026 nan 8.300 nan 0.000 0.787 117 G N -1.131 107.749 108.800 0.132 0.000 2.205 117 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.261 117 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.261 117 G C 0.038 174.963 174.900 0.041 0.000 0.980 117 G CA 0.427 45.571 45.100 0.073 0.000 0.632 117 G HN 0.582 nan 8.290 nan 0.000 0.533 118 E N 0.466 120.686 120.200 0.033 0.000 2.134 118 E HA 0.580 4.930 4.350 -0.000 0.000 0.278 118 E C 0.570 177.147 176.600 -0.039 0.000 0.959 118 E CA -0.969 55.432 56.400 0.002 0.000 0.783 118 E CB 0.495 30.204 29.700 0.015 0.000 1.095 118 E HN 0.427 nan 8.360 nan 0.000 0.399 119 R N 3.847 124.326 120.500 -0.035 0.000 2.522 119 R HA 0.076 4.416 4.340 -0.000 0.000 0.284 119 R C -0.022 176.222 176.300 -0.095 0.000 1.032 119 R CA 0.111 56.183 56.100 -0.046 0.000 1.049 119 R CB 0.259 30.548 30.300 -0.019 0.000 0.956 119 R HN 0.615 nan 8.270 nan 0.000 0.422 120 L N 4.288 125.425 121.223 -0.145 0.000 3.569 120 L HA 0.316 4.656 4.340 -0.000 0.000 0.178 120 L C 0.510 177.225 176.870 -0.259 0.000 1.286 120 L CA 0.677 55.321 54.840 -0.327 0.000 0.952 120 L CB -0.035 41.671 42.059 -0.589 0.000 1.540 120 L HN 0.680 nan 8.230 nan 0.000 0.661 121 F N 0.822 120.795 119.950 0.038 0.000 2.749 121 F HA 0.496 5.023 4.527 -0.000 0.000 0.300 121 F C 1.751 177.589 175.800 0.063 0.000 1.103 121 F CA 0.112 58.146 58.000 0.057 0.000 1.342 121 F CB -1.028 38.000 39.000 0.047 0.000 1.098 121 F HN 0.356 nan 8.300 nan 0.000 0.586 122 G N 0.654 109.561 108.800 0.178 0.000 2.652 122 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.318 122 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.318 122 G C 0.591 175.581 174.900 0.150 0.000 1.295 122 G CA 0.415 45.594 45.100 0.131 0.000 0.999 122 G HN 0.270 nan 8.290 nan 0.000 0.548 123 Q N 1.924 121.801 119.800 0.130 0.000 2.375 123 Q HA 0.393 4.733 4.340 -0.000 0.000 0.316 123 Q C 1.129 177.209 176.000 0.133 0.000 0.927 123 Q CA 0.521 56.397 55.803 0.121 0.000 1.029 123 Q CB 0.220 29.018 28.738 0.101 0.000 1.202 123 Q HN 0.838 nan 8.270 nan 0.000 0.431 124 G N 0.553 109.446 108.800 0.156 0.000 2.647 124 G HA2 0.075 4.035 3.960 -0.000 0.000 0.271 124 G HA3 0.075 4.035 3.960 -0.000 0.000 0.271 124 G C 0.882 175.852 174.900 0.117 0.000 1.300 124 G CA -0.503 44.690 45.100 0.156 0.000 0.997 124 G HN 0.375 nan 8.290 nan 0.000 0.533 125 L N -0.083 121.203 121.223 0.105 0.000 2.131 125 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 125 L C 2.769 179.685 176.870 0.077 0.000 1.092 125 L CA 1.440 56.357 54.840 0.128 0.000 0.759 125 L CB -0.232 41.891 42.059 0.107 0.000 0.903 125 L HN 0.277 nan 8.230 nan 0.000 0.435 126 V N -1.284 118.583 119.914 -0.079 0.000 2.331 126 V HA -0.126 3.994 4.120 -0.000 0.000 0.242 126 V C 2.358 178.359 176.094 -0.154 0.000 1.034 126 V CA 1.472 63.682 62.300 -0.149 0.000 1.027 126 V CB -0.828 30.851 31.823 -0.240 0.000 0.667 126 V HN 0.641 nan 8.190 nan 0.000 0.457 127 S N 0.092 115.760 115.700 -0.053 0.000 2.561 127 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 127 S C 0.779 175.368 174.600 -0.018 0.000 0.977 127 S CA 0.264 58.474 58.200 0.016 0.000 0.926 127 S CB -0.345 62.956 63.200 0.167 0.000 0.769 127 S HN 0.602 nan 8.310 nan 0.000 0.533 128 E N 0.574 120.774 120.200 -0.001 0.000 2.223 128 E HA 0.323 4.673 4.350 -0.000 0.000 0.282 128 E C 0.047 176.629 176.600 -0.030 0.000 1.046 128 E CA -0.374 56.055 56.400 0.048 0.000 0.857 128 E CB 0.404 30.190 29.700 0.143 0.000 1.055 128 E HN 0.268 nan 8.360 nan 0.000 0.409 129 C N 4.071 123.360 119.300 -0.017 0.000 2.791 129 C HA 0.239 4.699 4.460 -0.000 0.000 0.288 129 C C 0.958 175.978 174.990 0.049 0.000 1.271 129 C CA -0.532 58.455 59.018 -0.052 0.000 1.726 129 C CB -0.851 26.876 27.740 -0.021 0.000 2.145 129 C HN 0.755 nan 8.230 nan 0.000 0.572 130 N N 0.563 119.326 118.700 0.104 0.000 2.475 130 N HA -0.034 4.705 4.740 -0.000 0.000 0.267 130 N C 0.518 176.169 175.510 0.234 0.000 1.169 130 N CA 0.120 53.262 53.050 0.153 0.000 0.947 130 N CB 0.475 39.041 38.487 0.130 0.000 1.061 130 N HN 0.516 nan 8.380 nan 0.000 0.466 131 Y N 4.455 124.844 120.300 0.148 0.000 2.070 131 Y HA -0.225 4.325 4.550 -0.000 0.000 0.280 131 Y C 1.897 177.993 175.900 0.326 0.000 1.148 131 Y CA 1.732 59.972 58.100 0.233 0.000 1.125 131 Y CB 0.164 38.683 38.460 0.098 0.000 0.975 131 Y HN 0.599 nan 8.280 nan 0.000 0.492 132 E N 0.406 120.739 120.200 0.221 0.000 2.058 132 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 132 E C 2.302 178.946 176.600 0.073 0.000 0.997 132 E CA 1.504 57.974 56.400 0.118 0.000 0.801 132 E CB -0.409 29.382 29.700 0.151 0.000 0.746 132 E HN 0.548 nan 8.360 nan 0.000 0.450 133 R N -0.498 120.066 120.500 0.107 0.000 2.096 133 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 133 R C 2.188 178.541 176.300 0.088 0.000 1.127 133 R CA 1.487 57.640 56.100 0.088 0.000 0.968 133 R CB -0.404 29.958 30.300 0.102 0.000 0.861 133 R HN 0.282 nan 8.270 nan 0.000 0.440 134 W N 0.632 121.905 121.300 -0.046 0.000 2.418 134 W HA -0.143 4.517 4.660 -0.000 0.000 0.292 134 W C 2.043 178.513 176.519 -0.082 0.000 1.213 134 W CA 1.217 58.528 57.345 -0.057 0.000 1.283 134 W CB -0.322 29.106 29.460 -0.053 0.000 1.119 134 W HN 0.127 nan 8.180 nan 0.000 0.542 135 H N 0.592 119.370 119.070 -0.487 0.000 2.389 135 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 135 H C 2.149 177.147 175.328 -0.549 0.000 1.081 135 H CA 1.708 57.266 56.048 -0.816 0.000 1.345 135 H CB -0.029 29.381 29.762 -0.587 0.000 1.393 135 H HN 0.162 nan 8.280 nan 0.000 0.520 136 K N 0.713 120.933 120.400 -0.300 0.000 2.057 136 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 136 K C 2.359 178.798 176.600 -0.269 0.000 1.050 136 K CA 1.712 57.859 56.287 -0.234 0.000 0.935 136 K CB 0.126 32.569 32.500 -0.095 0.000 0.715 136 K HN 0.592 nan 8.250 nan 0.000 0.439 137 Q N -0.230 119.403 119.800 -0.278 0.000 2.049 137 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 137 Q C 2.090 177.910 176.000 -0.301 0.000 0.971 137 Q CA 0.955 56.629 55.803 -0.215 0.000 0.833 137 Q CB -0.436 28.243 28.738 -0.097 0.000 0.896 137 Q HN 0.024 nan 8.270 nan 0.000 0.434 138 R N 1.142 121.288 120.500 -0.590 0.000 2.103 138 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 138 R C 2.124 178.189 176.300 -0.391 0.000 1.142 138 R CA 1.804 57.553 56.100 -0.585 0.000 0.960 138 R CB -0.248 29.338 30.300 -1.190 0.000 0.858 138 R HN 0.170 nan 8.270 nan 0.000 0.439 139 R N -0.664 119.551 120.500 -0.474 0.000 2.148 139 R HA 0.072 4.412 4.340 -0.000 0.000 0.223 139 R C 1.834 178.024 176.300 -0.184 0.000 1.088 139 R CA 1.131 57.030 56.100 -0.335 0.000 0.985 139 R CB -0.159 29.885 30.300 -0.427 0.000 0.880 139 R HN 0.196 nan 8.270 nan 0.000 0.451 140 V N -0.097 119.719 119.914 -0.163 0.000 2.446 140 V HA -0.071 4.049 4.120 -0.000 0.000 0.244 140 V C 1.959 178.022 176.094 -0.052 0.000 1.039 140 V CA 1.336 63.580 62.300 -0.093 0.000 1.045 140 V CB -0.230 31.544 31.823 -0.081 0.000 0.681 140 V HN 0.212 nan 8.190 nan 0.000 0.459 141 I N 0.243 120.792 120.570 -0.035 0.000 2.676 141 I HA -0.162 4.008 4.170 -0.000 0.000 0.259 141 I C 2.037 178.253 176.117 0.166 0.000 1.194 141 I CA 0.986 62.314 61.300 0.048 0.000 1.473 141 I CB -0.391 37.672 38.000 0.106 0.000 1.096 141 I HN 0.271 nan 8.210 nan 0.000 0.443 142 D N 0.896 121.350 120.400 0.090 0.000 2.178 142 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 142 D C 2.261 178.656 176.300 0.159 0.000 0.980 142 D CA 0.933 55.017 54.000 0.139 0.000 0.842 142 D CB -0.021 40.790 40.800 0.019 0.000 0.948 142 D HN 0.152 nan 8.370 nan 0.000 0.472 143 L N 0.580 121.838 121.223 0.058 0.000 2.042 143 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 143 L C 2.188 179.044 176.870 -0.023 0.000 1.076 143 L CA 1.296 56.142 54.840 0.010 0.000 0.749 143 L CB -1.149 40.894 42.059 -0.027 0.000 0.893 143 L HN -0.013 nan 8.230 nan 0.000 0.432 144 A N -1.787 120.994 122.820 -0.065 0.000 2.259 144 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 144 A C 1.372 178.662 177.584 -0.490 0.000 1.178 144 A CA 0.894 52.754 52.037 -0.296 0.000 0.734 144 A CB -0.572 18.166 19.000 -0.437 0.000 0.774 144 A HN 0.415 nan 8.150 nan 0.000 0.481 145 F N -0.130 119.821 119.950 0.001 0.000 2.735 145 F HA 0.149 4.675 4.527 -0.000 0.000 0.308 145 F C 1.228 177.036 175.800 0.014 0.000 1.112 145 F CA 0.007 58.031 58.000 0.040 0.000 1.235 145 F CB 0.133 39.177 39.000 0.074 0.000 1.027 145 F HN 0.143 nan 8.300 nan 0.000 0.528 146 S N -0.111 115.642 115.700 0.088 0.000 2.576 146 S HA 0.038 4.507 4.470 -0.000 0.000 0.272 146 S C 1.558 176.156 174.600 -0.004 0.000 1.352 146 S CA -0.507 57.716 58.200 0.037 0.000 1.021 146 S CB 1.019 64.215 63.200 -0.007 0.000 0.887 146 S HN 0.448 nan 8.310 nan 0.000 0.542 147 R N 1.661 122.149 120.500 -0.019 0.000 2.134 147 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 147 R C 2.336 178.528 176.300 -0.179 0.000 1.143 147 R CA 2.572 58.621 56.100 -0.086 0.000 0.957 147 R CB -1.124 29.139 30.300 -0.062 0.000 0.867 147 R HN 0.888 nan 8.270 nan 0.000 0.441 148 S N -1.343 114.274 115.700 -0.138 0.000 2.461 148 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 148 S C 1.845 176.344 174.600 -0.167 0.000 1.005 148 S CA 0.795 58.899 58.200 -0.160 0.000 0.942 148 S CB 0.067 63.201 63.200 -0.110 0.000 0.776 148 S HN 0.356 nan 8.310 nan 0.000 0.514 149 S N 2.297 117.908 115.700 -0.147 0.000 2.371 149 S HA 0.191 4.661 4.470 -0.000 0.000 0.224 149 S C 1.772 176.242 174.600 -0.216 0.000 1.029 149 S CA 1.099 59.196 58.200 -0.172 0.000 0.978 149 S CB -0.494 62.605 63.200 -0.169 0.000 0.833 149 S HN 0.465 nan 8.310 nan 0.000 0.466 150 L N 1.207 122.315 121.223 -0.191 0.000 2.109 150 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 150 L C 2.278 178.952 176.870 -0.327 0.000 1.086 150 L CA 0.645 55.356 54.840 -0.215 0.000 0.760 150 L CB -0.785 41.240 42.059 -0.057 0.000 0.910 150 L HN 0.173 nan 8.230 nan 0.000 0.437 151 V N -0.617 119.070 119.914 -0.378 0.000 2.469 151 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 151 V C 2.406 178.329 176.094 -0.285 0.000 1.064 151 V CA 1.961 64.014 62.300 -0.412 0.000 1.066 151 V CB -0.519 31.028 31.823 -0.460 0.000 0.667 151 V HN 0.388 nan 8.190 nan 0.000 0.461 152 S N -0.230 115.310 115.700 -0.266 0.000 2.547 152 S HA 0.097 4.567 4.470 -0.000 0.000 0.235 152 S C 1.523 175.947 174.600 -0.293 0.000 0.980 152 S CA 0.836 58.901 58.200 -0.226 0.000 0.941 152 S CB -0.177 62.908 63.200 -0.192 0.000 0.763 152 S HN 0.536 nan 8.310 nan 0.000 0.532 153 L N -0.087 120.855 121.223 -0.467 0.000 2.590 153 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 153 L C 1.804 178.122 176.870 -0.920 0.000 1.099 153 L CA -0.053 54.325 54.840 -0.770 0.000 0.872 153 L CB -0.339 40.995 42.059 -1.208 0.000 1.088 153 L HN 0.255 nan 8.230 nan 0.000 0.479 154 M N 0.288 119.568 119.600 -0.532 0.000 2.255 154 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 154 M C 1.955 178.224 176.300 -0.052 0.000 1.071 154 M CA 1.666 56.824 55.300 -0.238 0.000 1.074 154 M CB -0.770 31.791 32.600 -0.065 0.000 1.384 154 M HN 0.259 nan 8.290 nan 0.000 0.415 155 E N -0.444 119.745 120.200 -0.019 0.000 2.028 155 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 155 E C 1.867 178.512 176.600 0.076 0.000 0.984 155 E CA 1.706 58.184 56.400 0.130 0.000 0.800 155 E CB 0.085 29.812 29.700 0.045 0.000 0.758 155 E HN 0.396 nan 8.360 nan 0.000 0.448 156 T N 0.781 115.313 114.554 -0.037 0.000 2.635 156 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 156 T C 1.404 176.214 174.700 0.184 0.000 1.040 156 T CA 1.428 63.544 62.100 0.027 0.000 1.156 156 T CB -0.422 68.420 68.868 -0.043 0.000 0.863 156 T HN 0.108 nan 8.240 nan 0.000 0.430 157 F N 2.083 122.022 119.950 -0.017 0.000 2.095 157 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 157 F C 2.475 178.277 175.800 0.004 0.000 1.104 157 F CA 0.248 58.232 58.000 -0.026 0.000 1.232 157 F CB -1.235 37.719 39.000 -0.077 0.000 0.987 157 F HN 0.205 nan 8.300 nan 0.000 0.475 158 N N 0.121 118.950 118.700 0.216 0.000 2.188 158 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 158 N C 1.957 177.565 175.510 0.164 0.000 1.018 158 N CA 1.019 54.162 53.050 0.154 0.000 0.858 158 N CB -0.304 38.288 38.487 0.176 0.000 0.989 158 N HN 0.431 nan 8.380 nan 0.000 0.426 159 E N 0.743 121.041 120.200 0.163 0.000 2.031 159 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 159 E C 1.505 178.170 176.600 0.109 0.000 0.994 159 E CA 1.055 57.529 56.400 0.122 0.000 0.800 159 E CB 0.242 29.999 29.700 0.095 0.000 0.752 159 E HN 0.037 nan 8.360 nan 0.000 0.447 160 K N 0.301 120.774 120.400 0.123 0.000 2.057 160 K HA -0.058 4.261 4.320 -0.000 0.000 0.206 160 K C 1.876 178.536 176.600 0.100 0.000 1.050 160 K CA 1.136 57.491 56.287 0.113 0.000 0.935 160 K CB -0.742 31.836 32.500 0.131 0.000 0.715 160 K HN 0.163 nan 8.250 nan 0.000 0.439 161 A N 1.358 124.237 122.820 0.099 0.000 1.883 161 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 161 A C 2.260 179.891 177.584 0.078 0.000 1.186 161 A CA 2.092 54.175 52.037 0.077 0.000 0.624 161 A CB -0.526 18.512 19.000 0.062 0.000 0.822 161 A HN 0.366 nan 8.150 nan 0.000 0.444 162 E N -0.044 120.207 120.200 0.085 0.000 2.085 162 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 162 E C 2.129 178.771 176.600 0.070 0.000 0.994 162 E CA 2.044 58.491 56.400 0.078 0.000 0.801 162 E CB -0.408 29.344 29.700 0.086 0.000 0.743 162 E HN 0.715 nan 8.360 nan 0.000 0.453 163 Q N -0.569 119.274 119.800 0.072 0.000 2.079 163 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 163 Q C 2.276 178.318 176.000 0.069 0.000 0.974 163 Q CA 1.527 57.368 55.803 0.065 0.000 0.840 163 Q CB -0.263 28.514 28.738 0.064 0.000 0.898 163 Q HN 0.417 nan 8.270 nan 0.000 0.430 164 L N -0.075 121.196 121.223 0.081 0.000 2.012 164 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 164 L C 2.070 178.992 176.870 0.086 0.000 1.073 164 L CA 1.634 56.529 54.840 0.091 0.000 0.748 164 L CB -0.605 41.511 42.059 0.095 0.000 0.891 164 L HN 0.093 nan 8.230 nan 0.000 0.431 165 V N -0.126 119.834 119.914 0.078 0.000 2.358 165 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 165 V C 2.545 178.668 176.094 0.047 0.000 1.047 165 V CA 2.043 64.385 62.300 0.070 0.000 1.035 165 V CB -0.671 31.191 31.823 0.065 0.000 0.658 165 V HN 0.521 nan 8.190 nan 0.000 0.452 166 E N -0.072 120.155 120.200 0.045 0.000 2.077 166 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 166 E C 2.178 178.797 176.600 0.031 0.000 0.989 166 E CA 1.461 57.880 56.400 0.033 0.000 0.800 166 E CB -0.206 29.514 29.700 0.034 0.000 0.746 166 E HN 0.556 nan 8.360 nan 0.000 0.452 167 I N 0.954 121.549 120.570 0.043 0.000 2.226 167 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 167 I C 2.251 178.393 176.117 0.042 0.000 1.100 167 I CA 1.050 62.377 61.300 0.044 0.000 1.374 167 I CB -0.140 37.895 38.000 0.059 0.000 1.057 167 I HN 0.112 nan 8.210 nan 0.000 0.413 168 L N -0.084 121.167 121.223 0.047 0.000 2.109 168 L HA -0.139 4.200 4.340 -0.000 0.000 0.207 168 L C 2.402 179.264 176.870 -0.013 0.000 1.086 168 L CA 1.113 55.971 54.840 0.030 0.000 0.760 168 L CB -0.530 41.563 42.059 0.056 0.000 0.910 168 L HN 0.215 nan 8.230 nan 0.000 0.437 169 E N 0.430 120.624 120.200 -0.010 0.000 2.160 169 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 169 E C 2.159 178.749 176.600 -0.016 0.000 0.991 169 E CA 1.113 57.499 56.400 -0.023 0.000 0.810 169 E CB -0.097 29.597 29.700 -0.010 0.000 0.742 169 E HN 0.486 nan 8.360 nan 0.000 0.466 170 A N 0.685 123.504 122.820 -0.002 0.000 2.168 170 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 170 A C 1.554 179.136 177.584 -0.003 0.000 1.152 170 A CA 0.909 52.946 52.037 0.000 0.000 0.716 170 A CB 0.052 19.058 19.000 0.009 0.000 0.794 170 A HN 0.024 nan 8.150 nan 0.000 0.465 171 K N -0.747 119.649 120.400 -0.008 0.000 2.413 171 K HA 0.317 4.637 4.320 -0.000 0.000 0.204 171 K C 0.410 176.994 176.600 -0.027 0.000 1.041 171 K CA 0.386 56.668 56.287 -0.009 0.000 1.082 171 K CB 0.755 33.257 32.500 0.004 0.000 0.871 171 K HN 0.256 nan 8.250 nan 0.000 0.535 172 A N 2.671 125.465 122.820 -0.042 0.000 3.063 172 A HA 0.014 4.334 4.320 -0.000 0.000 0.263 172 A C 0.272 177.826 177.584 -0.051 0.000 1.736 172 A CA -0.027 51.969 52.037 -0.068 0.000 1.408 172 A CB -0.502 18.444 19.000 -0.090 0.000 1.108 172 A HN 0.294 nan 8.150 nan 0.000 0.621 173 D N -0.416 119.961 120.400 -0.038 0.000 2.433 173 D HA 0.200 4.840 4.640 -0.000 0.000 0.211 173 D C 1.022 177.306 176.300 -0.027 0.000 1.114 173 D CA 0.508 54.492 54.000 -0.028 0.000 0.837 173 D CB -0.339 40.450 40.800 -0.017 0.000 0.984 173 D HN 0.815 nan 8.370 nan 0.000 0.505 174 G N 1.456 110.235 108.800 -0.035 0.000 2.153 174 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.252 174 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.252 174 G C 0.566 175.456 174.900 -0.016 0.000 0.994 174 G CA 0.745 45.829 45.100 -0.028 0.000 0.698 174 G HN 0.593 nan 8.290 nan 0.000 0.521 175 Q N -1.746 118.045 119.800 -0.013 0.000 1.921 175 Q HA 0.139 4.479 4.340 -0.000 0.000 0.192 175 Q C -0.145 175.853 176.000 -0.004 0.000 0.755 175 Q CA 0.249 56.048 55.803 -0.007 0.000 0.904 175 Q CB 0.081 28.816 28.738 -0.005 0.000 1.222 175 Q HN 0.359 nan 8.270 nan 0.000 0.417 176 T N 5.085 119.636 114.554 -0.005 0.000 2.727 176 T HA 0.358 4.708 4.350 -0.000 0.000 0.298 176 T C -2.608 172.095 174.700 0.005 0.000 0.942 176 T CA -1.227 60.874 62.100 0.001 0.000 0.997 176 T CB 1.187 70.056 68.868 0.002 0.000 0.917 176 T HN 0.091 nan 8.240 nan 0.000 0.487 177 P HA 0.260 nan 4.420 nan 0.000 0.271 177 P C -0.877 176.433 177.300 0.017 0.000 1.233 177 P CA -0.250 62.855 63.100 0.008 0.000 0.764 177 P CB 0.608 32.309 31.700 0.001 0.000 0.825 178 V N 2.683 122.613 119.914 0.026 0.000 2.588 178 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 178 V C 0.602 176.710 176.094 0.022 0.000 1.042 178 V CA -0.690 61.633 62.300 0.037 0.000 0.877 178 V CB 1.856 33.716 31.823 0.062 0.000 0.996 178 V HN 0.561 nan 8.190 nan 0.000 0.425 179 S N 5.365 121.067 115.700 0.003 0.000 2.414 179 S HA 0.174 4.643 4.470 -0.000 0.000 0.290 179 S C 1.321 175.888 174.600 -0.054 0.000 1.160 179 S CA -0.620 57.556 58.200 -0.040 0.000 1.069 179 S CB 0.129 63.293 63.200 -0.060 0.000 1.012 179 S HN 0.584 nan 8.310 nan 0.000 0.510 180 M N 3.867 123.429 119.600 -0.062 0.000 2.279 180 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 180 M C 2.085 178.293 176.300 -0.152 0.000 1.062 180 M CA 1.343 56.589 55.300 -0.089 0.000 1.099 180 M CB -1.475 31.045 32.600 -0.133 0.000 1.394 180 M HN 0.868 nan 8.290 nan 0.000 0.426 181 Q N 0.949 120.642 119.800 -0.178 0.000 2.002 181 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 181 Q C 1.445 177.292 176.000 -0.256 0.000 0.988 181 Q CA 2.159 57.834 55.803 -0.214 0.000 0.843 181 Q CB 0.048 28.658 28.738 -0.213 0.000 0.908 181 Q HN 0.391 nan 8.270 nan 0.000 0.420 182 D N -0.176 120.048 120.400 -0.293 0.000 2.123 182 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 182 D C 1.925 177.753 176.300 -0.788 0.000 0.992 182 D CA 1.208 54.868 54.000 -0.567 0.000 0.833 182 D CB -0.163 40.379 40.800 -0.431 0.000 0.954 182 D HN 0.344 nan 8.370 nan 0.000 0.455 183 M N 0.143 119.552 119.600 -0.318 0.000 2.159 183 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 183 M C 2.422 178.689 176.300 -0.056 0.000 1.063 183 M CA 0.930 56.189 55.300 -0.069 0.000 1.110 183 M CB -0.920 31.709 32.600 0.049 0.000 1.374 183 M HN 0.056 nan 8.290 nan 0.000 0.411 184 L N -1.116 120.036 121.223 -0.118 0.000 2.131 184 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 184 L C 2.379 179.217 176.870 -0.053 0.000 1.087 184 L CA 0.928 55.724 54.840 -0.074 0.000 0.767 184 L CB -0.911 41.080 42.059 -0.114 0.000 0.917 184 L HN 0.260 nan 8.230 nan 0.000 0.441 185 T N -0.921 113.552 114.554 -0.135 0.000 2.684 185 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 185 T C 1.740 176.498 174.700 0.097 0.000 1.036 185 T CA 1.622 63.690 62.100 -0.054 0.000 1.148 185 T CB -0.348 68.425 68.868 -0.158 0.000 0.863 185 T HN 0.173 nan 8.240 nan 0.000 0.436 186 Y N 1.882 122.228 120.300 0.078 0.000 2.181 186 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 186 Y C 2.970 178.912 175.900 0.071 0.000 1.146 186 Y CA 0.449 58.593 58.100 0.074 0.000 1.164 186 Y CB -1.677 36.821 38.460 0.062 0.000 0.982 186 Y HN 0.202 nan 8.280 nan 0.000 0.515 187 T N 0.140 114.830 114.554 0.227 0.000 2.674 187 T HA -0.219 4.131 4.350 -0.000 0.000 0.265 187 T C 2.280 177.063 174.700 0.138 0.000 1.039 187 T CA 1.673 63.865 62.100 0.152 0.000 1.150 187 T CB -0.742 68.188 68.868 0.102 0.000 0.864 187 T HN 0.413 nan 8.240 nan 0.000 0.427 188 A N 1.326 124.227 122.820 0.135 0.000 1.902 188 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 188 A C 2.278 179.964 177.584 0.170 0.000 1.181 188 A CA 1.991 54.123 52.037 0.158 0.000 0.623 188 A CB -0.703 18.394 19.000 0.161 0.000 0.818 188 A HN 0.449 nan 8.150 nan 0.000 0.443 189 M N 0.435 120.109 119.600 0.123 0.000 2.065 189 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 189 M C 1.252 177.560 176.300 0.013 0.000 1.069 189 M CA 2.406 57.636 55.300 -0.116 0.000 1.110 189 M CB -0.652 31.864 32.600 -0.139 0.000 1.328 189 M HN 0.349 nan 8.290 nan 0.000 0.405 190 D N 0.229 120.690 120.400 0.102 0.000 2.104 190 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 190 D C 2.150 178.537 176.300 0.145 0.000 0.994 190 D CA 1.910 55.983 54.000 0.121 0.000 0.830 190 D CB -0.481 40.390 40.800 0.119 0.000 0.959 190 D HN 0.492 nan 8.370 nan 0.000 0.452 191 I N 0.729 121.404 120.570 0.175 0.000 2.179 191 I HA -0.223 3.946 4.170 -0.000 0.000 0.242 191 I C 2.471 178.769 176.117 0.302 0.000 1.088 191 I CA 0.586 62.037 61.300 0.252 0.000 1.357 191 I CB -0.101 38.060 38.000 0.269 0.000 1.051 191 I HN 0.086 nan 8.210 nan 0.000 0.409 192 L N 1.091 122.473 121.223 0.265 0.000 1.970 192 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 192 L C 2.775 179.786 176.870 0.235 0.000 1.071 192 L CA 2.489 57.482 54.840 0.254 0.000 0.751 192 L CB -1.136 40.994 42.059 0.118 0.000 0.889 192 L HN 0.274 nan 8.230 nan 0.000 0.432 193 A N 0.265 123.232 122.820 0.246 0.000 1.903 193 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 193 A C 2.297 180.033 177.584 0.253 0.000 1.191 193 A CA 2.635 54.911 52.037 0.399 0.000 0.638 193 A CB -0.626 18.567 19.000 0.322 0.000 0.823 193 A HN 0.527 nan 8.150 nan 0.000 0.451 194 K N -0.234 120.255 120.400 0.147 0.000 1.991 194 K HA 0.126 4.446 4.320 -0.000 0.000 0.207 194 K C 2.102 178.742 176.600 0.066 0.000 1.045 194 K CA 1.760 58.093 56.287 0.078 0.000 0.937 194 K CB -0.789 31.748 32.500 0.062 0.000 0.720 194 K HN 0.302 nan 8.250 nan 0.000 0.438 195 A N 0.613 123.495 122.820 0.104 0.000 1.865 195 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 195 A C 2.409 179.980 177.584 -0.021 0.000 1.191 195 A CA 2.477 54.550 52.037 0.061 0.000 0.623 195 A CB -1.222 17.914 19.000 0.226 0.000 0.826 195 A HN 0.474 nan 8.150 nan 0.000 0.444 196 A N -2.275 120.492 122.820 -0.088 0.000 1.930 196 A HA 0.292 4.612 4.320 -0.000 0.000 0.215 196 A C 1.687 178.960 177.584 -0.519 0.000 1.176 196 A CA 1.251 53.004 52.037 -0.474 0.000 0.632 196 A CB -0.326 18.129 19.000 -0.908 0.000 0.819 196 A HN 0.519 nan 8.150 nan 0.000 0.445 197 F N -1.927 118.088 119.950 0.109 0.000 2.767 197 F HA 0.373 4.900 4.527 -0.000 0.000 0.323 197 F C 1.654 177.475 175.800 0.034 0.000 1.091 197 F CA 0.425 58.520 58.000 0.158 0.000 1.192 197 F CB 0.770 40.014 39.000 0.406 0.000 1.056 197 F HN 0.331 nan 8.300 nan 0.000 0.571 198 G N 1.174 110.041 108.800 0.113 0.000 2.160 198 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.251 198 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.251 198 G C 0.059 174.908 174.900 -0.085 0.000 1.008 198 G CA 0.046 45.150 45.100 0.007 0.000 0.724 198 G HN 0.096 nan 8.290 nan 0.000 0.514 199 M N -0.075 119.433 119.600 -0.153 0.000 2.578 199 M HA 0.514 4.994 4.480 -0.000 0.000 0.321 199 M C -0.216 175.954 176.300 -0.218 0.000 1.182 199 M CA -0.762 54.302 55.300 -0.392 0.000 0.965 199 M CB 1.702 33.611 32.600 -1.152 0.000 1.694 199 M HN 0.010 nan 8.290 nan 0.000 0.461 200 E N 1.731 121.821 120.200 -0.183 0.000 2.102 200 E HA 0.270 4.619 4.350 -0.000 0.000 0.263 200 E C 0.623 177.217 176.600 -0.011 0.000 0.894 200 E CA -0.000 56.364 56.400 -0.059 0.000 0.746 200 E CB 1.354 31.030 29.700 -0.039 0.000 1.129 200 E HN 0.751 nan 8.360 nan 0.000 0.416 201 T N -1.758 112.836 114.554 0.067 0.000 2.976 201 T HA -0.058 4.292 4.350 -0.000 0.000 0.257 201 T C 0.952 175.708 174.700 0.093 0.000 1.051 201 T CA 0.345 62.533 62.100 0.147 0.000 1.141 201 T CB 0.005 69.019 68.868 0.244 0.000 0.881 201 T HN 0.318 nan 8.240 nan 0.000 0.461 202 S N 0.740 116.477 115.700 0.062 0.000 3.561 202 S HA -0.198 4.272 4.470 -0.000 0.000 0.318 202 S C 1.047 175.640 174.600 -0.013 0.000 1.181 202 S CA 0.881 59.099 58.200 0.028 0.000 0.916 202 S CB -2.306 60.906 63.200 0.019 0.000 0.966 202 S HN 0.601 nan 8.310 nan 0.000 0.550 203 M N -0.076 119.514 119.600 -0.016 0.000 2.149 203 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 203 M C 2.052 178.157 176.300 -0.325 0.000 1.064 203 M CA 1.732 56.930 55.300 -0.170 0.000 1.102 203 M CB -0.509 32.045 32.600 -0.077 0.000 1.369 203 M HN 0.475 nan 8.290 nan 0.000 0.408 204 L N 0.049 121.208 121.223 -0.106 0.000 2.129 204 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 204 L C 1.770 178.601 176.870 -0.065 0.000 1.087 204 L CA 0.992 55.808 54.840 -0.040 0.000 0.757 204 L CB -0.399 41.696 42.059 0.060 0.000 0.896 204 L HN 0.371 nan 8.230 nan 0.000 0.434 205 L N -0.833 120.353 121.223 -0.062 0.000 2.741 205 L HA 0.261 4.601 4.340 -0.000 0.000 0.237 205 L C 1.292 178.123 176.870 -0.064 0.000 1.178 205 L CA 0.344 55.158 54.840 -0.042 0.000 0.973 205 L CB -0.075 41.976 42.059 -0.013 0.000 1.255 205 L HN 0.389 nan 8.230 nan 0.000 0.498 206 G N 0.167 108.889 108.800 -0.131 0.000 2.159 206 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 206 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 206 G C 0.422 175.272 174.900 -0.082 0.000 0.977 206 G CA 0.147 45.172 45.100 -0.126 0.000 0.652 206 G HN 0.519 nan 8.290 nan 0.000 0.531 207 A N -0.862 121.921 122.820 -0.062 0.000 2.249 207 A HA 0.676 4.995 4.320 -0.000 0.000 0.281 207 A C 1.261 178.852 177.584 0.012 0.000 1.127 207 A CA 0.984 53.016 52.037 -0.007 0.000 0.833 207 A CB 0.156 19.167 19.000 0.018 0.000 1.140 207 A HN 1.190 nan 8.150 nan 0.000 0.502 208 Q N -1.047 118.795 119.800 0.071 0.000 2.435 208 Q HA -0.176 4.164 4.340 -0.000 0.000 0.312 208 Q C 0.762 176.821 176.000 0.099 0.000 1.333 208 Q CA 0.957 56.837 55.803 0.128 0.000 0.883 208 Q CB -1.213 27.640 28.738 0.192 0.000 1.170 208 Q HN 0.771 nan 8.270 nan 0.000 0.443 209 K N -0.254 120.179 120.400 0.054 0.000 2.025 209 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 209 K C -0.582 176.033 176.600 0.025 0.000 1.049 209 K CA 1.290 57.599 56.287 0.036 0.000 0.933 209 K CB -0.782 31.727 32.500 0.015 0.000 0.714 209 K HN 0.312 nan 8.250 nan 0.000 0.438 210 P HA -0.150 nan 4.420 nan 0.000 0.218 210 P C 1.586 178.773 177.300 -0.188 0.000 1.148 210 P CA 0.862 63.883 63.100 -0.131 0.000 0.822 210 P CB -0.001 31.626 31.700 -0.122 0.000 0.784 211 L N 0.539 121.814 121.223 0.086 0.000 2.093 211 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 211 L C 2.412 179.393 176.870 0.185 0.000 1.085 211 L CA 2.350 57.341 54.840 0.252 0.000 0.755 211 L CB -1.369 40.925 42.059 0.392 0.000 0.904 211 L HN 0.005 nan 8.230 nan 0.000 0.435 212 S N -1.483 114.318 115.700 0.167 0.000 2.395 212 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 212 S C 1.988 176.662 174.600 0.124 0.000 1.027 212 S CA 0.837 59.155 58.200 0.197 0.000 0.965 212 S CB -0.569 62.782 63.200 0.252 0.000 0.812 212 S HN 0.584 nan 8.310 nan 0.000 0.482 213 Q N 2.215 122.044 119.800 0.048 0.000 2.096 213 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 213 Q C 2.149 178.130 176.000 -0.031 0.000 0.982 213 Q CA 2.067 57.866 55.803 -0.005 0.000 0.850 213 Q CB -1.010 27.692 28.738 -0.059 0.000 0.901 213 Q HN 0.667 nan 8.270 nan 0.000 0.422 214 A N -0.510 122.256 122.820 -0.091 0.000 1.933 214 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 214 A C 2.274 179.889 177.584 0.052 0.000 1.175 214 A CA 1.661 53.651 52.037 -0.077 0.000 0.628 214 A CB -0.787 18.120 19.000 -0.155 0.000 0.814 214 A HN 0.300 nan 8.150 nan 0.000 0.444 215 V N 0.437 120.429 119.914 0.130 0.000 2.358 215 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 215 V C 2.534 178.711 176.094 0.138 0.000 1.047 215 V CA 2.247 64.667 62.300 0.199 0.000 1.035 215 V CB -0.647 31.381 31.823 0.341 0.000 0.658 215 V HN 0.729 nan 8.190 nan 0.000 0.452 216 K N 0.132 120.596 120.400 0.107 0.000 2.103 216 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 216 K C 2.041 178.671 176.600 0.050 0.000 1.048 216 K CA 1.687 58.017 56.287 0.071 0.000 0.930 216 K CB -0.161 32.373 32.500 0.056 0.000 0.716 216 K HN 0.434 nan 8.250 nan 0.000 0.444 217 L N 0.545 121.793 121.223 0.041 0.000 2.209 217 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 217 L C 2.750 179.647 176.870 0.045 0.000 1.094 217 L CA 0.287 55.149 54.840 0.037 0.000 0.790 217 L CB -0.386 41.684 42.059 0.019 0.000 0.932 217 L HN 0.316 nan 8.230 nan 0.000 0.447 218 M N 0.663 120.288 119.600 0.042 0.000 2.080 218 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 218 M C 2.226 178.537 176.300 0.018 0.000 1.068 218 M CA 2.060 57.374 55.300 0.023 0.000 1.109 218 M CB -0.499 32.116 32.600 0.026 0.000 1.342 218 M HN 0.218 nan 8.290 nan 0.000 0.405 219 L N -0.110 121.142 121.223 0.047 0.000 2.093 219 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 219 L C 2.266 179.152 176.870 0.026 0.000 1.085 219 L CA 1.247 56.112 54.840 0.041 0.000 0.755 219 L CB -0.686 41.403 42.059 0.050 0.000 0.904 219 L HN 0.347 nan 8.230 nan 0.000 0.435 220 E N 0.048 120.270 120.200 0.036 0.000 2.153 220 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 220 E C 2.244 178.881 176.600 0.062 0.000 0.988 220 E CA 0.931 57.359 56.400 0.046 0.000 0.811 220 E CB -0.225 29.506 29.700 0.052 0.000 0.746 220 E HN 0.565 nan 8.360 nan 0.000 0.466 221 G N 1.591 110.426 108.800 0.057 0.000 2.402 221 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 221 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 221 G C 1.551 176.356 174.900 -0.158 0.000 1.162 221 G CA 0.363 45.491 45.100 0.046 0.000 0.777 221 G HN 0.061 nan 8.290 nan 0.000 0.539 222 I N 1.494 121.985 120.570 -0.132 0.000 2.069 222 I HA -0.209 3.961 4.170 -0.000 0.000 0.237 222 I C 2.948 178.988 176.117 -0.128 0.000 1.053 222 I CA 2.006 63.211 61.300 -0.158 0.000 1.311 222 I CB -1.704 36.254 38.000 -0.071 0.000 1.030 222 I HN 0.137 nan 8.210 nan 0.000 0.398 223 T N 1.605 116.132 114.554 -0.045 0.000 2.592 223 T HA -0.268 4.081 4.350 -0.000 0.000 0.267 223 T C 2.015 176.736 174.700 0.035 0.000 1.060 223 T CA 2.270 64.373 62.100 0.005 0.000 1.167 223 T CB -0.582 68.308 68.868 0.036 0.000 0.863 223 T HN 0.535 nan 8.240 nan 0.000 0.431 224 A N 1.690 124.555 122.820 0.076 0.000 1.933 224 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 224 A C 2.576 180.281 177.584 0.201 0.000 1.175 224 A CA 2.219 54.360 52.037 0.172 0.000 0.628 224 A CB -0.837 18.333 19.000 0.283 0.000 0.814 224 A HN 0.644 nan 8.150 nan 0.000 0.444 225 S N 0.184 115.907 115.700 0.038 0.000 2.453 225 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 225 S C 1.718 176.341 174.600 0.040 0.000 1.005 225 S CA 1.032 59.198 58.200 -0.057 0.000 0.949 225 S CB -0.291 62.515 63.200 -0.657 0.000 0.774 225 S HN 0.809 nan 8.310 nan 0.000 0.510 226 R N 0.388 120.876 120.500 -0.020 0.000 2.437 226 R HA 0.306 4.646 4.340 -0.000 0.000 0.257 226 R C -0.433 175.836 176.300 -0.052 0.000 0.927 226 R CA -0.233 55.830 56.100 -0.061 0.000 1.078 226 R CB -0.067 30.046 30.300 -0.312 0.000 1.161 226 R HN 0.174 nan 8.270 nan 0.000 0.529 227 N N 2.128 120.861 118.700 0.055 0.000 2.844 227 N HA 0.150 4.890 4.740 -0.000 0.000 0.268 227 N C -1.098 174.526 175.510 0.190 0.000 1.574 227 N CA 0.151 53.242 53.050 0.069 0.000 0.838 227 N CB 1.539 40.090 38.487 0.107 0.000 1.177 227 N HN 0.143 nan 8.380 nan 0.000 0.495 237 R N 1.624 122.074 120.500 -0.084 0.000 2.223 237 R HA 0.132 4.472 4.340 -0.000 0.000 0.198 237 R C 1.973 178.228 176.300 -0.075 0.000 0.984 237 R CA 0.521 56.564 56.100 -0.096 0.000 1.018 237 R CB 0.390 30.646 30.300 -0.073 0.000 0.945 237 R HN -0.012 nan 8.270 nan 0.000 0.479 238 K N 1.176 121.544 120.400 -0.054 0.000 2.001 238 K HA -0.188 4.131 4.320 -0.000 0.000 0.208 238 K C 1.783 178.360 176.600 -0.038 0.000 1.048 238 K CA 1.445 57.709 56.287 -0.039 0.000 0.932 238 K CB -0.123 32.361 32.500 -0.027 0.000 0.715 238 K HN 0.129 nan 8.250 nan 0.000 0.437 239 Q N 0.375 120.152 119.800 -0.039 0.000 2.077 239 Q HA -0.183 4.156 4.340 -0.000 0.000 0.206 239 Q C 2.179 178.156 176.000 -0.038 0.000 0.989 239 Q CA 1.326 57.116 55.803 -0.022 0.000 0.853 239 Q CB -0.059 28.673 28.738 -0.011 0.000 0.907 239 Q HN 0.318 nan 8.270 nan 0.000 0.418 240 L N 0.788 121.935 121.223 -0.128 0.000 2.079 240 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 240 L C 2.610 179.432 176.870 -0.080 0.000 1.081 240 L CA 1.995 56.702 54.840 -0.222 0.000 0.752 240 L CB -0.850 41.006 42.059 -0.338 0.000 0.896 240 L HN 0.342 nan 8.230 nan 0.000 0.433 241 R N -0.348 120.121 120.500 -0.053 0.000 2.062 241 R HA -0.158 4.181 4.340 -0.000 0.000 0.226 241 R C 2.022 178.323 176.300 0.001 0.000 1.125 241 R CA 1.009 57.097 56.100 -0.021 0.000 0.966 241 R CB -0.018 30.267 30.300 -0.026 0.000 0.861 241 R HN 0.073 nan 8.270 nan 0.000 0.433 242 E N 0.302 120.501 120.200 -0.003 0.000 2.086 242 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 242 E C 1.875 178.490 176.600 0.024 0.000 1.012 242 E CA 1.706 58.106 56.400 0.001 0.000 0.812 242 E CB -0.227 29.471 29.700 -0.002 0.000 0.743 242 E HN 0.175 nan 8.360 nan 0.000 0.453 243 V N 0.458 120.410 119.914 0.063 0.000 2.358 243 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 243 V C 2.242 178.395 176.094 0.098 0.000 1.047 243 V CA 1.914 64.281 62.300 0.112 0.000 1.035 243 V CB -0.356 31.620 31.823 0.254 0.000 0.658 243 V HN 0.226 nan 8.190 nan 0.000 0.452 244 R N -0.264 120.296 120.500 0.099 0.000 2.075 244 R HA -0.189 4.150 4.340 -0.000 0.000 0.232 244 R C 2.332 178.658 176.300 0.043 0.000 1.126 244 R CA 1.641 57.785 56.100 0.073 0.000 0.963 244 R CB -0.305 30.033 30.300 0.063 0.000 0.858 244 R HN 0.586 nan 8.270 nan 0.000 0.435 245 E N 0.531 120.752 120.200 0.035 0.000 2.058 245 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 245 E C 1.878 178.511 176.600 0.055 0.000 0.997 245 E CA 1.684 58.105 56.400 0.036 0.000 0.801 245 E CB 0.117 29.825 29.700 0.012 0.000 0.746 245 E HN 0.141 nan 8.360 nan 0.000 0.450 246 S N -0.005 115.713 115.700 0.030 0.000 2.382 246 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 246 S C 1.903 176.541 174.600 0.064 0.000 1.027 246 S CA 0.978 59.197 58.200 0.032 0.000 0.991 246 S CB -0.170 63.033 63.200 0.005 0.000 0.823 246 S HN 0.265 nan 8.310 nan 0.000 0.469 247 I N 0.991 121.575 120.570 0.023 0.000 2.252 247 I HA -0.155 4.014 4.170 -0.000 0.000 0.245 247 I C 2.704 178.809 176.117 -0.020 0.000 1.102 247 I CA 1.097 62.383 61.300 -0.024 0.000 1.385 247 I CB -0.267 37.697 38.000 -0.060 0.000 1.064 247 I HN 0.145 nan 8.210 nan 0.000 0.414 248 R N 0.049 120.553 120.500 0.006 0.000 2.081 248 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 248 R C 2.363 178.655 176.300 -0.015 0.000 1.131 248 R CA 1.784 57.878 56.100 -0.011 0.000 0.960 248 R CB -0.481 29.823 30.300 0.005 0.000 0.856 248 R HN 0.227 nan 8.270 nan 0.000 0.436 249 F N 1.147 121.036 119.950 -0.102 0.000 2.065 249 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 249 F C 1.913 177.595 175.800 -0.196 0.000 1.112 249 F CA 1.407 59.334 58.000 -0.123 0.000 1.212 249 F CB -0.221 38.727 39.000 -0.086 0.000 0.975 249 F HN -0.067 nan 8.300 nan 0.000 0.476 250 L N 0.583 121.804 121.223 -0.004 0.000 1.990 250 L HA -0.252 4.087 4.340 -0.000 0.000 0.213 250 L C 2.498 179.179 176.870 -0.315 0.000 1.072 250 L CA 1.833 56.555 54.840 -0.197 0.000 0.755 250 L CB -1.272 40.713 42.059 -0.124 0.000 0.889 250 L HN 0.104 nan 8.230 nan 0.000 0.432 251 R N -1.310 119.056 120.500 -0.223 0.000 2.120 251 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 251 R C 2.218 178.298 176.300 -0.367 0.000 1.123 251 R CA 1.043 56.994 56.100 -0.248 0.000 0.975 251 R CB -0.185 30.027 30.300 -0.146 0.000 0.866 251 R HN 0.338 nan 8.270 nan 0.000 0.446 252 Q N 0.592 120.165 119.800 -0.377 0.000 2.083 252 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 252 Q C 1.937 177.597 176.000 -0.566 0.000 0.969 252 Q CA 1.434 56.989 55.803 -0.413 0.000 0.838 252 Q CB -0.161 28.353 28.738 -0.373 0.000 0.900 252 Q HN 0.089 nan 8.270 nan 0.000 0.436 253 V N 0.349 119.820 119.914 -0.738 0.000 2.324 253 V HA -0.282 3.837 4.120 -0.000 0.000 0.250 253 V C 2.161 177.475 176.094 -1.301 0.000 1.060 253 V CA 2.033 63.764 62.300 -0.949 0.000 1.042 253 V CB -1.395 29.835 31.823 -0.987 0.000 0.650 253 V HN 0.610 nan 8.190 nan 0.000 0.450 254 G N -0.870 107.049 108.800 -1.469 0.000 2.433 254 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 254 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 254 G C 1.726 176.033 174.900 -0.989 0.000 1.186 254 G CA 0.878 44.714 45.100 -2.108 0.000 0.779 254 G HN 0.391 nan 8.290 nan 0.000 0.543 255 R N 0.166 120.303 120.500 -0.606 0.000 2.096 255 R HA -0.125 4.215 4.340 -0.000 0.000 0.240 255 R C 2.328 178.479 176.300 -0.249 0.000 1.139 255 R CA 1.782 57.682 56.100 -0.334 0.000 0.952 255 R CB -0.349 29.798 30.300 -0.254 0.000 0.854 255 R HN 0.280 nan 8.270 nan 0.000 0.436 256 D N -0.591 119.646 120.400 -0.271 0.000 2.156 256 D HA -0.218 4.421 4.640 -0.000 0.000 0.190 256 D C 1.607 177.953 176.300 0.076 0.000 0.998 256 D CA 1.236 55.179 54.000 -0.095 0.000 0.842 256 D CB -0.423 40.331 40.800 -0.076 0.000 0.974 256 D HN 0.297 nan 8.370 nan 0.000 0.447 257 W N 0.735 121.889 121.300 -0.243 0.000 2.468 257 W HA 0.011 4.671 4.660 -0.000 0.000 0.262 257 W C 2.200 178.671 176.519 -0.080 0.000 1.241 257 W CA -0.041 57.228 57.345 -0.126 0.000 1.232 257 W CB -1.182 28.225 29.460 -0.088 0.000 1.124 257 W HN -0.107 nan 8.180 nan 0.000 0.597 258 V N 0.085 120.028 119.914 0.048 0.000 2.346 258 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 258 V C 2.551 178.667 176.094 0.035 0.000 1.037 258 V CA 1.562 63.885 62.300 0.038 0.000 1.029 258 V CB -0.609 31.192 31.823 -0.037 0.000 0.663 258 V HN -0.019 nan 8.190 nan 0.000 0.454 259 Q N 0.002 119.807 119.800 0.008 0.000 2.045 259 Q HA -0.245 4.094 4.340 -0.000 0.000 0.206 259 Q C 2.341 178.356 176.000 0.026 0.000 0.991 259 Q CA 1.946 57.754 55.803 0.009 0.000 0.851 259 Q CB -0.513 28.221 28.738 -0.007 0.000 0.911 259 Q HN 0.505 nan 8.270 nan 0.000 0.418 260 R N 0.039 120.567 120.500 0.046 0.000 2.096 260 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 260 R C 2.298 178.617 176.300 0.033 0.000 1.139 260 R CA 1.845 57.966 56.100 0.034 0.000 0.952 260 R CB -0.140 30.179 30.300 0.032 0.000 0.854 260 R HN 0.017 nan 8.270 nan 0.000 0.436 261 R N 0.676 121.212 120.500 0.060 0.000 2.083 261 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 261 R C 2.014 178.337 176.300 0.037 0.000 1.137 261 R CA 1.919 58.055 56.100 0.058 0.000 0.951 261 R CB -0.297 30.063 30.300 0.100 0.000 0.851 261 R HN 0.180 nan 8.270 nan 0.000 0.434 262 R N -0.045 120.476 120.500 0.035 0.000 2.092 262 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 262 R C 2.120 178.427 176.300 0.013 0.000 1.119 262 R CA 1.346 57.459 56.100 0.022 0.000 0.970 262 R CB -0.171 30.140 30.300 0.018 0.000 0.864 262 R HN 0.231 nan 8.270 nan 0.000 0.440 263 E N 0.459 120.666 120.200 0.011 0.000 2.153 263 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 263 E C 1.895 178.496 176.600 0.003 0.000 0.988 263 E CA 1.286 57.689 56.400 0.005 0.000 0.811 263 E CB -0.104 29.598 29.700 0.004 0.000 0.746 263 E HN 0.346 nan 8.360 nan 0.000 0.466 264 A N 0.887 123.710 122.820 0.004 0.000 1.897 264 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 264 A C 2.377 179.961 177.584 -0.000 0.000 1.181 264 A CA 0.840 52.877 52.037 0.000 0.000 0.620 264 A CB -0.627 18.373 19.000 -0.000 0.000 0.821 264 A HN 0.173 nan 8.150 nan 0.000 0.443 265 L N -0.614 120.612 121.223 0.004 0.000 2.046 265 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 265 L C 2.636 179.506 176.870 0.000 0.000 1.077 265 L CA 1.651 56.493 54.840 0.002 0.000 0.747 265 L CB -0.423 41.640 42.059 0.006 0.000 0.896 265 L HN 0.350 nan 8.230 nan 0.000 0.432 266 K N -0.027 120.374 120.400 0.001 0.000 2.032 266 K HA -0.160 4.159 4.320 -0.000 0.000 0.209 266 K C 2.065 178.663 176.600 -0.002 0.000 1.048 266 K CA 1.287 57.574 56.287 -0.000 0.000 0.927 266 K CB -0.088 32.411 32.500 0.000 0.000 0.712 266 K HN 0.285 nan 8.250 nan 0.000 0.441 267 R N -0.403 120.095 120.500 -0.003 0.000 2.328 267 R HA -0.035 4.304 4.340 -0.000 0.000 0.207 267 R C 1.084 177.381 176.300 -0.006 0.000 1.056 267 R CA 0.905 57.002 56.100 -0.005 0.000 1.016 267 R CB -0.125 30.171 30.300 -0.005 0.000 0.872 267 R HN 0.462 nan 8.270 nan 0.000 0.471 268 G N 1.906 110.703 108.800 -0.005 0.000 2.160 268 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.244 268 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.244 268 G C -0.236 174.659 174.900 -0.008 0.000 1.022 268 G CA 0.047 45.143 45.100 -0.007 0.000 0.741 268 G HN 0.432 nan 8.290 nan 0.000 0.508 269 E N 0.048 120.243 120.200 -0.008 0.000 2.392 269 E HA 0.338 4.687 4.350 -0.000 0.000 0.259 269 E C 0.044 176.637 176.600 -0.012 0.000 1.108 269 E CA -0.162 56.231 56.400 -0.011 0.000 0.916 269 E CB 0.870 30.564 29.700 -0.011 0.000 0.989 269 E HN 0.344 nan 8.360 nan 0.000 0.432 270 E N 1.702 121.893 120.200 -0.015 0.000 2.055 270 E HA 0.173 4.523 4.350 -0.000 0.000 0.274 270 E C -0.912 175.675 176.600 -0.021 0.000 0.949 270 E CA -0.410 55.979 56.400 -0.018 0.000 0.775 270 E CB 1.428 31.116 29.700 -0.020 0.000 1.097 270 E HN 0.279 nan 8.360 nan 0.000 0.404 271 V N 2.010 121.912 119.914 -0.020 0.000 2.364 271 V HA 0.423 4.543 4.120 -0.000 0.000 0.272 271 V C -2.277 173.798 176.094 -0.031 0.000 1.036 271 V CA -2.160 60.127 62.300 -0.022 0.000 0.880 271 V CB 0.459 32.276 31.823 -0.011 0.000 0.991 271 V HN 0.428 nan 8.190 nan 0.000 0.460 272 P HA 0.243 nan 4.420 nan 0.000 0.262 272 P C 0.363 177.625 177.300 -0.062 0.000 1.182 272 P CA 0.468 63.535 63.100 -0.054 0.000 0.761 272 P CB 0.404 32.066 31.700 -0.063 0.000 0.795 273 A N 3.436 126.215 122.820 -0.068 0.000 2.584 273 A HA 0.267 4.587 4.320 -0.000 0.000 0.239 273 A C 0.605 178.121 177.584 -0.113 0.000 1.043 273 A CA 0.454 52.442 52.037 -0.082 0.000 0.756 273 A CB -0.388 18.562 19.000 -0.083 0.000 0.963 273 A HN 0.669 nan 8.150 nan 0.000 0.511 274 D N 1.004 121.328 120.400 -0.127 0.000 2.958 274 D HA 0.319 4.959 4.640 -0.000 0.000 0.306 274 D C 0.703 176.855 176.300 -0.247 0.000 1.226 274 D CA -0.483 53.405 54.000 -0.187 0.000 1.032 274 D CB -0.087 40.618 40.800 -0.159 0.000 1.400 274 D HN 0.192 nan 8.370 nan 0.000 0.587 275 I N -0.444 119.916 120.570 -0.350 0.000 2.179 275 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 275 I C 2.253 178.171 176.117 -0.332 0.000 1.088 275 I CA 0.821 61.842 61.300 -0.464 0.000 1.357 275 I CB -0.199 37.401 38.000 -0.667 0.000 1.051 275 I HN 0.261 nan 8.210 nan 0.000 0.409 276 L N 0.438 121.527 121.223 -0.223 0.000 2.043 276 L HA -0.240 4.099 4.340 -0.000 0.000 0.212 276 L C 2.496 179.384 176.870 0.031 0.000 1.075 276 L CA 2.201 57.071 54.840 0.051 0.000 0.752 276 L CB -1.190 41.040 42.059 0.285 0.000 0.891 276 L HN 0.241 nan 8.230 nan 0.000 0.432 277 T N -0.729 113.812 114.554 -0.022 0.000 2.665 277 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 277 T C 1.786 176.467 174.700 -0.032 0.000 1.035 277 T CA 1.633 63.720 62.100 -0.021 0.000 1.151 277 T CB -0.242 68.599 68.868 -0.045 0.000 0.862 277 T HN 0.358 nan 8.240 nan 0.000 0.438 278 Q N 0.666 120.421 119.800 -0.075 0.000 2.297 278 Q HA 0.112 4.452 4.340 -0.000 0.000 0.204 278 Q C 2.405 178.380 176.000 -0.041 0.000 0.962 278 Q CA 0.667 56.429 55.803 -0.068 0.000 0.879 278 Q CB -0.460 28.221 28.738 -0.095 0.000 0.947 278 Q HN 0.781 nan 8.270 nan 0.000 0.462 279 I N -3.813 116.738 120.570 -0.031 0.000 3.030 279 I HA -0.031 4.139 4.170 -0.000 0.000 0.270 279 I C 1.677 177.836 176.117 0.070 0.000 1.211 279 I CA 0.392 61.711 61.300 0.032 0.000 1.479 279 I CB -0.272 37.764 38.000 0.061 0.000 1.105 279 I HN -0.017 nan 8.210 nan 0.000 0.447 280 L N 1.547 122.809 121.223 0.066 0.000 2.027 280 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 280 L C 2.707 179.597 176.870 0.033 0.000 1.074 280 L CA 1.595 56.471 54.840 0.060 0.000 0.745 280 L CB -0.617 41.477 42.059 0.059 0.000 0.898 280 L HN 0.184 nan 8.230 nan 0.000 0.433 281 K N 0.553 120.962 120.400 0.015 0.000 2.063 281 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 281 K C 2.021 178.620 176.600 -0.001 0.000 1.048 281 K CA 1.559 57.847 56.287 0.001 0.000 0.928 281 K CB -0.344 32.148 32.500 -0.014 0.000 0.713 281 K HN 0.246 nan 8.250 nan 0.000 0.442 282 A N 0.467 123.287 122.820 0.001 0.000 2.070 282 A HA -0.104 4.215 4.320 -0.000 0.000 0.220 282 A C 1.489 179.082 177.584 0.014 0.000 1.159 282 A CA 1.568 53.604 52.037 -0.001 0.000 0.656 282 A CB -0.317 18.684 19.000 0.002 0.000 0.800 282 A HN 0.303 nan 8.150 nan 0.000 0.453 283 E N 0.039 120.256 120.200 0.028 0.000 2.474 283 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 283 E C 0.345 176.959 176.600 0.024 0.000 1.039 283 E CA -0.079 56.342 56.400 0.034 0.000 0.881 283 E CB -0.070 29.661 29.700 0.051 0.000 0.970 283 E HN 0.853 nan 8.360 nan 0.000 0.486 284 E N 0.400 120.610 120.200 0.016 0.000 2.351 284 E HA 0.190 4.540 4.350 -0.000 0.000 0.266 284 E C 0.368 176.974 176.600 0.009 0.000 1.031 284 E CA 0.600 57.007 56.400 0.011 0.000 0.911 284 E CB 0.097 29.800 29.700 0.006 0.000 0.986 284 E HN 0.197 nan 8.360 nan 0.000 0.446 285 G N 2.499 111.306 108.800 0.010 0.000 2.145 285 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.176 285 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.176 285 G C -0.171 174.737 174.900 0.012 0.000 1.013 285 G CA -0.162 44.944 45.100 0.010 0.000 0.689 285 G HN 0.853 nan 8.290 nan 0.000 0.506 286 A N -0.064 122.765 122.820 0.015 0.000 2.374 286 A HA 0.764 5.084 4.320 -0.000 0.000 0.317 286 A C 1.170 178.763 177.584 0.015 0.000 1.094 286 A CA 0.416 52.463 52.037 0.017 0.000 0.765 286 A CB 0.882 19.896 19.000 0.023 0.000 1.268 286 A HN 0.634 nan 8.150 nan 0.000 0.438 287 Q N 0.507 120.315 119.800 0.014 0.000 2.291 287 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 287 Q C -0.255 175.750 176.000 0.009 0.000 0.970 287 Q CA 1.642 57.451 55.803 0.011 0.000 0.876 287 Q CB -0.423 28.321 28.738 0.011 0.000 0.935 287 Q HN 0.879 nan 8.270 nan 0.000 0.455 288 D N -1.324 119.083 120.400 0.012 0.000 2.752 288 D HA 0.206 4.846 4.640 -0.000 0.000 0.313 288 D C -0.762 175.545 176.300 0.013 0.000 1.225 288 D CA -0.730 53.276 54.000 0.008 0.000 0.976 288 D CB 0.359 41.162 40.800 0.005 0.000 1.443 288 D HN -0.288 nan 8.370 nan 0.000 0.515 289 D N -1.000 119.403 120.400 0.006 0.000 2.368 289 D HA 0.065 4.705 4.640 -0.000 0.000 0.218 289 D C 0.745 177.055 176.300 0.018 0.000 1.112 289 D CA 0.080 54.086 54.000 0.010 0.000 0.834 289 D CB 0.433 41.228 40.800 -0.009 0.000 0.953 289 D HN 0.296 nan 8.370 nan 0.000 0.505 290 E N 0.180 120.392 120.200 0.020 0.000 2.152 290 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 290 E C 2.049 178.683 176.600 0.056 0.000 0.983 290 E CA 0.530 56.946 56.400 0.027 0.000 0.818 290 E CB -0.188 29.525 29.700 0.020 0.000 0.758 290 E HN 0.300 nan 8.360 nan 0.000 0.467 291 G N 1.260 110.098 108.800 0.063 0.000 2.421 291 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 291 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 291 G C 1.598 176.568 174.900 0.116 0.000 1.143 291 G CA 0.486 45.638 45.100 0.087 0.000 0.784 291 G HN 0.231 nan 8.290 nan 0.000 0.541 292 L N 0.649 121.933 121.223 0.101 0.000 2.017 292 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 292 L C 2.595 179.572 176.870 0.179 0.000 1.073 292 L CA 1.452 56.370 54.840 0.131 0.000 0.745 292 L CB -0.559 41.555 42.059 0.091 0.000 0.894 292 L HN 0.210 nan 8.230 nan 0.000 0.432 293 L N -0.868 120.427 121.223 0.119 0.000 2.072 293 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 293 L C 2.282 179.283 176.870 0.218 0.000 1.079 293 L CA 0.946 55.861 54.840 0.125 0.000 0.752 293 L CB -1.043 41.013 42.059 -0.005 0.000 0.906 293 L HN 0.219 nan 8.230 nan 0.000 0.436 294 D N 0.575 121.083 120.400 0.181 0.000 2.160 294 D HA -0.240 4.400 4.640 -0.000 0.000 0.189 294 D C 1.943 178.431 176.300 0.313 0.000 1.003 294 D CA 1.500 55.635 54.000 0.226 0.000 0.846 294 D CB -0.395 40.514 40.800 0.182 0.000 0.949 294 D HN 0.195 nan 8.370 nan 0.000 0.446 295 N N -0.522 118.365 118.700 0.312 0.000 2.309 295 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 295 N C 1.568 177.395 175.510 0.528 0.000 1.018 295 N CA 0.197 53.486 53.050 0.400 0.000 0.876 295 N CB -0.345 38.355 38.487 0.355 0.000 0.972 295 N HN 0.177 nan 8.380 nan 0.000 0.434 296 F N 1.010 121.157 119.950 0.329 0.000 2.113 296 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 296 F C 2.049 178.067 175.800 0.363 0.000 1.103 296 F CA 0.984 59.190 58.000 0.342 0.000 1.248 296 F CB -0.404 38.641 39.000 0.076 0.000 0.999 296 F HN -0.201 nan 8.300 nan 0.000 0.475 297 V N -0.004 120.198 119.914 0.480 0.000 2.427 297 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 297 V C 2.321 178.711 176.094 0.493 0.000 1.051 297 V CA 2.275 64.821 62.300 0.411 0.000 1.048 297 V CB -1.156 30.860 31.823 0.323 0.000 0.666 297 V HN 0.439 nan 8.190 nan 0.000 0.456 298 T N 0.262 115.074 114.554 0.430 0.000 2.622 298 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 298 T C 1.677 176.367 174.700 -0.017 0.000 1.047 298 T CA 2.136 64.285 62.100 0.082 0.000 1.159 298 T CB -0.442 68.422 68.868 -0.008 0.000 0.863 298 T HN 0.377 nan 8.240 nan 0.000 0.422 299 F N 0.202 120.235 119.950 0.137 0.000 2.186 299 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 299 F C 2.018 177.924 175.800 0.178 0.000 1.090 299 F CA 0.689 58.759 58.000 0.115 0.000 1.307 299 F CB -0.632 38.437 39.000 0.116 0.000 1.019 299 F HN 0.076 nan 8.300 nan 0.000 0.489 300 F N 0.570 120.666 119.950 0.243 0.000 2.087 300 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 300 F C 2.132 178.121 175.800 0.316 0.000 1.100 300 F CA 1.572 59.666 58.000 0.158 0.000 1.226 300 F CB -0.232 38.660 39.000 -0.179 0.000 0.983 300 F HN -0.167 nan 8.300 nan 0.000 0.479 301 I N -0.002 120.846 120.570 0.464 0.000 2.296 301 I HA -0.093 4.077 4.170 -0.000 0.000 0.242 301 I C 2.736 178.882 176.117 0.047 0.000 1.087 301 I CA 1.357 62.861 61.300 0.340 0.000 1.393 301 I CB -2.093 36.127 38.000 0.367 0.000 1.093 301 I HN 0.175 nan 8.210 nan 0.000 0.421 302 A N 0.991 123.766 122.820 -0.076 0.000 1.972 302 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 302 A C 2.324 179.841 177.584 -0.113 0.000 1.169 302 A CA 1.793 53.722 52.037 -0.180 0.000 0.635 302 A CB -1.305 17.498 19.000 -0.329 0.000 0.810 302 A HN 0.459 nan 8.150 nan 0.000 0.446 303 G N -1.651 107.132 108.800 -0.029 0.000 2.679 303 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.212 303 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.212 303 G C 1.171 176.101 174.900 0.049 0.000 1.137 303 G CA 1.303 46.380 45.100 -0.037 0.000 0.787 303 G HN 0.881 nan 8.290 nan 0.000 0.534 304 H N -1.414 117.623 119.070 -0.054 0.000 3.329 304 H HA 0.130 4.686 4.556 -0.000 0.000 0.234 304 H C 1.771 177.093 175.328 -0.010 0.000 0.957 304 H CA 0.794 56.827 56.048 -0.025 0.000 1.066 304 H CB -0.014 29.713 29.762 -0.058 0.000 1.435 304 H HN 0.267 nan 8.280 nan 0.000 0.513 305 E N 2.421 122.217 120.200 -0.673 0.000 2.047 305 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 305 E C 2.169 178.645 176.600 -0.206 0.000 0.987 305 E CA 2.936 59.037 56.400 -0.498 0.000 0.799 305 E CB -0.286 29.176 29.700 -0.397 0.000 0.752 305 E HN 0.557 nan 8.360 nan 0.000 0.449 306 T N -2.223 112.248 114.554 -0.139 0.000 2.857 306 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 306 T C 2.124 176.833 174.700 0.015 0.000 1.048 306 T CA 1.192 63.254 62.100 -0.064 0.000 1.139 306 T CB -0.466 68.350 68.868 -0.087 0.000 0.874 306 T HN 0.031 nan 8.240 nan 0.000 0.455 307 S N 2.125 117.846 115.700 0.035 0.000 2.368 307 S HA 0.097 4.567 4.470 -0.000 0.000 0.225 307 S C 2.649 177.280 174.600 0.052 0.000 1.030 307 S CA 0.964 59.227 58.200 0.105 0.000 0.999 307 S CB -0.853 62.417 63.200 0.117 0.000 0.844 307 S HN 0.760 nan 8.310 nan 0.000 0.459 308 A N 2.543 125.359 122.820 -0.007 0.000 1.877 308 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 308 A C 1.863 179.390 177.584 -0.094 0.000 1.186 308 A CA 1.809 53.814 52.037 -0.054 0.000 0.620 308 A CB -1.066 17.896 19.000 -0.063 0.000 0.822 308 A HN 0.639 nan 8.150 nan 0.000 0.443 309 N N -1.248 117.397 118.700 -0.092 0.000 2.061 309 N HA -0.283 4.457 4.740 -0.000 0.000 0.193 309 N C 1.865 177.364 175.510 -0.019 0.000 1.030 309 N CA 1.680 54.641 53.050 -0.149 0.000 0.856 309 N CB -0.378 38.071 38.487 -0.063 0.000 1.023 309 N HN 0.749 nan 8.380 nan 0.000 0.424 310 H N 0.912 120.003 119.070 0.035 0.000 2.389 310 H HA 0.070 4.626 4.556 -0.000 0.000 0.299 310 H C 1.892 177.261 175.328 0.068 0.000 1.081 310 H CA 1.144 57.272 56.048 0.133 0.000 1.345 310 H CB -0.297 29.505 29.762 0.067 0.000 1.393 310 H HN 0.153 nan 8.280 nan 0.000 0.520 311 L N -0.306 120.827 121.223 -0.150 0.000 2.027 311 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 311 L C 2.882 179.633 176.870 -0.198 0.000 1.074 311 L CA 1.081 55.780 54.840 -0.234 0.000 0.745 311 L CB -0.735 41.225 42.059 -0.165 0.000 0.898 311 L HN 0.415 nan 8.230 nan 0.000 0.433 312 A N -0.031 122.668 122.820 -0.202 0.000 1.865 312 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 312 A C 2.070 179.506 177.584 -0.247 0.000 1.191 312 A CA 1.718 53.594 52.037 -0.269 0.000 0.623 312 A CB -0.940 17.848 19.000 -0.354 0.000 0.826 312 A HN 0.279 nan 8.150 nan 0.000 0.444 313 F N 0.886 120.717 119.950 -0.198 0.000 2.091 313 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 313 F C 2.830 178.460 175.800 -0.284 0.000 1.103 313 F CA 1.838 59.660 58.000 -0.296 0.000 1.228 313 F CB -1.248 37.629 39.000 -0.206 0.000 0.984 313 F HN 0.186 nan 8.300 nan 0.000 0.477 314 T N -0.330 114.230 114.554 0.009 0.000 2.674 314 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 314 T C 2.309 176.918 174.700 -0.151 0.000 1.039 314 T CA 1.585 63.647 62.100 -0.063 0.000 1.150 314 T CB -0.747 68.049 68.868 -0.120 0.000 0.864 314 T HN 0.034 nan 8.240 nan 0.000 0.427 315 V N 2.006 121.796 119.914 -0.208 0.000 2.287 315 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 315 V C 2.486 178.446 176.094 -0.224 0.000 1.053 315 V CA 1.994 64.119 62.300 -0.292 0.000 1.027 315 V CB -0.679 30.891 31.823 -0.422 0.000 0.646 315 V HN 0.497 nan 8.190 nan 0.000 0.447 316 M N -0.041 119.447 119.600 -0.186 0.000 2.108 316 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 316 M C 2.208 178.516 176.300 0.013 0.000 1.066 316 M CA 2.495 57.722 55.300 -0.121 0.000 1.107 316 M CB -0.164 32.348 32.600 -0.147 0.000 1.356 316 M HN 0.401 nan 8.290 nan 0.000 0.406 317 E N 0.602 120.738 120.200 -0.106 0.000 2.072 317 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 317 E C 1.875 178.341 176.600 -0.223 0.000 0.982 317 E CA 1.342 57.621 56.400 -0.202 0.000 0.803 317 E CB -0.554 28.855 29.700 -0.484 0.000 0.755 317 E HN 0.646 nan 8.360 nan 0.000 0.453 318 L N 0.864 121.967 121.223 -0.201 0.000 2.187 318 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 318 L C 2.365 179.228 176.870 -0.011 0.000 1.100 318 L CA 1.346 56.123 54.840 -0.105 0.000 0.765 318 L CB -0.691 41.325 42.059 -0.071 0.000 0.904 318 L HN 0.243 nan 8.230 nan 0.000 0.437 319 S N 0.712 116.427 115.700 0.026 0.000 2.500 319 S HA -0.187 4.283 4.470 -0.000 0.000 0.239 319 S C 1.632 176.307 174.600 0.125 0.000 0.989 319 S CA 0.894 59.152 58.200 0.097 0.000 0.951 319 S CB -0.325 62.940 63.200 0.108 0.000 0.759 319 S HN 0.690 nan 8.310 nan 0.000 0.523 320 R N -0.483 120.063 120.500 0.077 0.000 2.596 320 R HA 0.341 4.680 4.340 -0.000 0.000 0.369 320 R C -0.140 176.147 176.300 -0.022 0.000 1.042 320 R CA -0.451 55.656 56.100 0.013 0.000 1.120 320 R CB 0.190 30.413 30.300 -0.127 0.000 1.353 320 R HN 0.202 nan 8.270 nan 0.000 0.564 321 Q N 1.481 121.282 119.800 0.003 0.000 2.773 321 Q HA 0.215 4.555 4.340 -0.000 0.000 0.373 321 Q C -2.073 173.970 176.000 0.072 0.000 0.940 321 Q CA -1.826 53.999 55.803 0.037 0.000 1.015 321 Q CB 1.783 30.541 28.738 0.034 0.000 1.349 321 Q HN 0.170 nan 8.270 nan 0.000 0.413 322 P HA -0.189 nan 4.420 nan 0.000 0.215 322 P C 0.633 177.980 177.300 0.078 0.000 1.157 322 P CA 1.356 64.497 63.100 0.069 0.000 0.868 322 P CB 0.619 32.351 31.700 0.053 0.000 0.788 323 E N -0.008 120.239 120.200 0.078 0.000 2.058 323 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 323 E C 2.236 178.902 176.600 0.109 0.000 0.997 323 E CA 1.027 57.473 56.400 0.076 0.000 0.801 323 E CB -1.048 28.692 29.700 0.068 0.000 0.746 323 E HN 0.265 nan 8.360 nan 0.000 0.450 324 I N -0.020 120.649 120.570 0.165 0.000 2.286 324 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 324 I C 2.088 178.363 176.117 0.263 0.000 1.115 324 I CA 0.670 62.135 61.300 0.274 0.000 1.392 324 I CB -0.119 38.071 38.000 0.317 0.000 1.065 324 I HN 0.011 nan 8.210 nan 0.000 0.418 325 V N 0.847 120.865 119.914 0.173 0.000 2.343 325 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 325 V C 2.702 178.872 176.094 0.125 0.000 1.051 325 V CA 1.978 64.365 62.300 0.145 0.000 1.036 325 V CB -0.940 30.950 31.823 0.113 0.000 0.654 325 V HN 0.504 nan 8.190 nan 0.000 0.451 326 A N -0.335 122.543 122.820 0.096 0.000 1.883 326 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 326 A C 2.405 180.018 177.584 0.049 0.000 1.186 326 A CA 2.244 54.318 52.037 0.062 0.000 0.624 326 A CB -0.593 18.432 19.000 0.041 0.000 0.822 326 A HN 0.465 nan 8.150 nan 0.000 0.444 327 R N -0.856 119.669 120.500 0.042 0.000 2.148 327 R HA 0.050 4.390 4.340 -0.000 0.000 0.227 327 R C 1.990 178.327 176.300 0.060 0.000 1.103 327 R CA 0.917 56.989 56.100 -0.047 0.000 0.983 327 R CB -0.292 29.866 30.300 -0.237 0.000 0.874 327 R HN 0.568 nan 8.270 nan 0.000 0.451 328 L N 0.170 121.526 121.223 0.222 0.000 2.056 328 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 328 L C 2.448 179.399 176.870 0.135 0.000 1.078 328 L CA 1.423 56.412 54.840 0.248 0.000 0.749 328 L CB -0.289 41.906 42.059 0.226 0.000 0.901 328 L HN 0.250 nan 8.230 nan 0.000 0.433 329 Q N -0.425 119.437 119.800 0.103 0.000 2.050 329 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 329 Q C 2.436 178.467 176.000 0.051 0.000 0.980 329 Q CA 1.655 57.502 55.803 0.072 0.000 0.840 329 Q CB -0.300 28.476 28.738 0.063 0.000 0.898 329 Q HN 0.554 nan 8.270 nan 0.000 0.424 330 A N 1.313 124.155 122.820 0.037 0.000 1.883 330 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 330 A C 1.963 179.558 177.584 0.019 0.000 1.186 330 A CA 1.852 53.898 52.037 0.016 0.000 0.624 330 A CB -0.719 18.276 19.000 -0.009 0.000 0.822 330 A HN 0.490 nan 8.150 nan 0.000 0.444 331 E N -0.366 119.852 120.200 0.030 0.000 2.023 331 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 331 E C 1.918 178.545 176.600 0.045 0.000 1.003 331 E CA 1.750 58.176 56.400 0.043 0.000 0.809 331 E CB -0.294 29.461 29.700 0.090 0.000 0.755 331 E HN 0.238 nan 8.360 nan 0.000 0.449 332 V N 1.875 121.823 119.914 0.056 0.000 2.278 332 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 332 V C 1.877 177.991 176.094 0.033 0.000 1.062 332 V CA 2.415 64.742 62.300 0.045 0.000 1.038 332 V CB -0.577 31.277 31.823 0.053 0.000 0.646 332 V HN 0.379 nan 8.190 nan 0.000 0.447 333 D N -0.813 119.606 120.400 0.032 0.000 2.178 333 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 333 D C 2.231 178.542 176.300 0.019 0.000 0.980 333 D CA 1.227 55.242 54.000 0.024 0.000 0.842 333 D CB -0.113 40.700 40.800 0.021 0.000 0.948 333 D HN 0.583 nan 8.370 nan 0.000 0.472 334 E N -0.198 120.012 120.200 0.017 0.000 2.046 334 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 334 E C 2.069 178.677 176.600 0.013 0.000 0.982 334 E CA 0.575 56.982 56.400 0.012 0.000 0.800 334 E CB 0.239 29.944 29.700 0.008 0.000 0.756 334 E HN 0.116 nan 8.360 nan 0.000 0.449 335 V N 0.819 120.742 119.914 0.015 0.000 3.174 335 V HA 0.028 4.148 4.120 -0.000 0.000 0.254 335 V C 1.558 177.659 176.094 0.011 0.000 1.120 335 V CA 0.859 63.165 62.300 0.011 0.000 1.114 335 V CB -0.044 31.784 31.823 0.008 0.000 0.756 335 V HN 0.353 nan 8.190 nan 0.000 0.467 336 I N -3.210 117.369 120.570 0.015 0.000 4.456 336 I HA 0.654 4.824 4.170 -0.000 0.000 0.329 336 I C 1.495 177.626 176.117 0.023 0.000 1.313 336 I CA 0.433 61.743 61.300 0.017 0.000 1.205 336 I CB 0.009 38.017 38.000 0.013 0.000 1.179 336 I HN 0.324 nan 8.210 nan 0.000 0.419 337 G N 3.154 111.968 108.800 0.022 0.000 2.634 337 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.309 337 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.309 337 G C 0.657 175.573 174.900 0.026 0.000 1.265 337 G CA 1.223 46.336 45.100 0.023 0.000 0.998 337 G HN 0.907 nan 8.290 nan 0.000 0.551 338 S N 0.096 115.812 115.700 0.027 0.000 2.573 338 S HA 0.439 4.909 4.470 -0.000 0.000 0.244 338 S C 0.575 175.197 174.600 0.036 0.000 0.984 338 S CA 0.920 59.137 58.200 0.030 0.000 1.001 338 S CB 0.397 63.612 63.200 0.025 0.000 0.788 338 S HN 0.794 nan 8.310 nan 0.000 0.456 339 K N 0.969 121.393 120.400 0.039 0.000 2.414 339 K HA 0.188 4.508 4.320 -0.000 0.000 0.272 339 K C 1.175 177.812 176.600 0.063 0.000 0.993 339 K CA -0.324 55.994 56.287 0.052 0.000 0.964 339 K CB 0.534 33.066 32.500 0.054 0.000 0.925 339 K HN 0.172 nan 8.250 nan 0.000 0.487 340 R N 2.233 122.785 120.500 0.087 0.000 2.090 340 R HA 0.025 4.365 4.340 -0.000 0.000 0.219 340 R C -0.300 176.090 176.300 0.150 0.000 1.100 340 R CA 0.985 57.147 56.100 0.103 0.000 0.991 340 R CB -0.060 30.300 30.300 0.100 0.000 0.893 340 R HN 0.643 nan 8.270 nan 0.000 0.443 341 Y N 0.362 120.680 120.300 0.031 0.000 2.330 341 Y HA 0.429 4.979 4.550 -0.000 0.000 0.336 341 Y C -1.236 174.688 175.900 0.041 0.000 1.036 341 Y CA -1.151 56.971 58.100 0.036 0.000 1.125 341 Y CB 0.877 39.355 38.460 0.029 0.000 1.194 341 Y HN -0.095 nan 8.280 nan 0.000 0.469 342 L N 6.650 127.617 121.223 -0.427 0.000 2.257 342 L HA 0.261 4.600 4.340 -0.000 0.000 0.290 342 L C -0.289 176.295 176.870 -0.478 0.000 1.044 342 L CA 0.007 54.655 54.840 -0.319 0.000 0.810 342 L CB 0.787 42.737 42.059 -0.181 0.000 1.193 342 L HN 0.722 nan 8.230 nan 0.000 0.425 343 D N 1.235 121.512 120.400 -0.204 0.000 2.371 343 D HA -0.000 4.640 4.640 -0.000 0.000 0.242 343 D C 0.940 177.248 176.300 0.014 0.000 1.218 343 D CA 0.045 54.015 54.000 -0.051 0.000 0.945 343 D CB 0.601 41.448 40.800 0.077 0.000 1.137 343 D HN 0.409 nan 8.370 nan 0.000 0.464 344 F N 0.874 120.796 119.950 -0.046 0.000 2.069 344 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 344 F C 2.199 177.992 175.800 -0.011 0.000 1.113 344 F CA 1.634 59.618 58.000 -0.026 0.000 1.214 344 F CB 0.029 39.022 39.000 -0.012 0.000 0.978 344 F HN 0.518 nan 8.300 nan 0.000 0.474 345 E N -0.664 119.483 120.200 -0.089 0.000 2.401 345 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 345 E C 1.237 177.733 176.600 -0.173 0.000 1.023 345 E CA 1.320 57.601 56.400 -0.199 0.000 0.859 345 E CB -0.565 29.112 29.700 -0.037 0.000 0.780 345 E HN 0.498 nan 8.360 nan 0.000 0.523 346 D N 1.087 121.414 120.400 -0.122 0.000 2.234 346 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 346 D C 2.077 178.313 176.300 -0.107 0.000 0.962 346 D CA 0.590 54.537 54.000 -0.088 0.000 0.855 346 D CB 0.126 40.893 40.800 -0.056 0.000 0.951 346 D HN 0.316 nan 8.370 nan 0.000 0.500 347 L N 0.738 121.864 121.223 -0.162 0.000 2.072 347 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 347 L C 2.687 179.465 176.870 -0.153 0.000 1.079 347 L CA 1.202 55.958 54.840 -0.139 0.000 0.752 347 L CB -0.820 41.154 42.059 -0.141 0.000 0.906 347 L HN 0.048 nan 8.230 nan 0.000 0.436 348 G N 0.398 109.048 108.800 -0.249 0.000 2.475 348 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 348 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 348 G C 1.689 176.531 174.900 -0.097 0.000 1.125 348 G CA 0.668 45.652 45.100 -0.193 0.000 0.755 348 G HN 0.370 nan 8.290 nan 0.000 0.565 349 R N -0.407 120.044 120.500 -0.082 0.000 2.276 349 R HA 0.255 4.595 4.340 -0.000 0.000 0.196 349 R C 0.858 177.153 176.300 -0.008 0.000 0.961 349 R CA -0.187 55.891 56.100 -0.036 0.000 1.024 349 R CB -0.048 30.233 30.300 -0.032 0.000 0.940 349 R HN 0.273 nan 8.270 nan 0.000 0.480 350 L N 2.533 123.749 121.223 -0.013 0.000 2.650 350 L HA 0.019 4.359 4.340 -0.000 0.000 0.239 350 L C 1.952 178.844 176.870 0.037 0.000 1.412 350 L CA 0.017 54.867 54.840 0.018 0.000 1.219 350 L CB -0.268 41.794 42.059 0.006 0.000 1.534 350 L HN 0.279 nan 8.230 nan 0.000 0.430 351 Q N 0.641 120.474 119.800 0.055 0.000 2.050 351 Q HA -0.270 4.069 4.340 -0.000 0.000 0.202 351 Q C 1.941 178.005 176.000 0.107 0.000 0.980 351 Q CA 1.961 57.805 55.803 0.068 0.000 0.840 351 Q CB -0.138 28.643 28.738 0.073 0.000 0.898 351 Q HN 0.678 nan 8.270 nan 0.000 0.424 352 Y N 0.236 120.547 120.300 0.017 0.000 2.242 352 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 352 Y C 2.036 177.954 175.900 0.031 0.000 1.137 352 Y CA 1.011 59.127 58.100 0.026 0.000 1.181 352 Y CB 0.030 38.507 38.460 0.029 0.000 0.989 352 Y HN 0.317 nan 8.280 nan 0.000 0.527 353 L N -0.549 120.680 121.223 0.011 0.000 2.046 353 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 353 L C 2.507 179.327 176.870 -0.084 0.000 1.077 353 L CA 2.155 56.962 54.840 -0.053 0.000 0.747 353 L CB -1.238 40.831 42.059 0.017 0.000 0.896 353 L HN 0.195 nan 8.230 nan 0.000 0.432 354 S N -1.099 114.570 115.700 -0.051 0.000 2.383 354 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 354 S C 1.935 176.460 174.600 -0.124 0.000 1.030 354 S CA 1.635 59.804 58.200 -0.051 0.000 1.002 354 S CB -0.149 63.040 63.200 -0.020 0.000 0.829 354 S HN 0.668 nan 8.310 nan 0.000 0.467 355 Q N -0.148 119.557 119.800 -0.158 0.000 2.079 355 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 355 Q C 2.227 178.047 176.000 -0.300 0.000 0.974 355 Q CA 1.453 57.132 55.803 -0.207 0.000 0.840 355 Q CB -0.176 28.486 28.738 -0.126 0.000 0.898 355 Q HN 0.389 nan 8.270 nan 0.000 0.430 356 V N 0.970 120.690 119.914 -0.324 0.000 2.407 356 V HA -0.257 3.862 4.120 -0.000 0.000 0.248 356 V C 2.074 178.156 176.094 -0.019 0.000 1.055 356 V CA 1.539 63.726 62.300 -0.188 0.000 1.049 356 V CB -0.402 31.335 31.823 -0.144 0.000 0.662 356 V HN 0.341 nan 8.190 nan 0.000 0.455 357 L N -0.761 120.443 121.223 -0.032 0.000 2.044 357 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 357 L C 2.567 179.458 176.870 0.034 0.000 1.075 357 L CA 1.486 56.394 54.840 0.113 0.000 0.747 357 L CB -0.583 41.561 42.059 0.142 0.000 0.903 357 L HN 0.227 nan 8.230 nan 0.000 0.435 358 K N -0.005 120.253 120.400 -0.237 0.000 2.063 358 K HA -0.264 4.056 4.320 -0.000 0.000 0.208 358 K C 2.040 178.276 176.600 -0.606 0.000 1.048 358 K CA 1.763 57.715 56.287 -0.557 0.000 0.928 358 K CB -0.119 31.595 32.500 -1.311 0.000 0.713 358 K HN 0.124 nan 8.250 nan 0.000 0.442 359 E N 0.806 120.701 120.200 -0.507 0.000 2.152 359 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 359 E C 1.964 178.541 176.600 -0.038 0.000 0.983 359 E CA 1.089 57.316 56.400 -0.289 0.000 0.818 359 E CB -0.085 29.299 29.700 -0.527 0.000 0.758 359 E HN 0.116 nan 8.360 nan 0.000 0.467 360 S N -0.655 115.182 115.700 0.227 0.000 2.382 360 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 360 S C 1.794 176.549 174.600 0.260 0.000 1.027 360 S CA 1.051 59.543 58.200 0.486 0.000 0.991 360 S CB -0.235 63.264 63.200 0.499 0.000 0.823 360 S HN 0.377 nan 8.310 nan 0.000 0.469 361 L N 0.945 122.220 121.223 0.085 0.000 2.217 361 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 361 L C 2.754 179.604 176.870 -0.033 0.000 1.107 361 L CA 0.925 55.714 54.840 -0.085 0.000 0.783 361 L CB -0.402 41.486 42.059 -0.286 0.000 0.919 361 L HN 0.325 nan 8.230 nan 0.000 0.442 362 R N 0.719 121.271 120.500 0.088 0.000 2.070 362 R HA -0.157 4.183 4.340 -0.000 0.000 0.233 362 R C 2.222 178.372 176.300 -0.250 0.000 1.137 362 R CA 1.573 57.683 56.100 0.017 0.000 0.945 362 R CB -0.172 30.033 30.300 -0.158 0.000 0.845 362 R HN 0.296 nan 8.270 nan 0.000 0.430 363 L N -0.725 120.288 121.223 -0.349 0.000 2.209 363 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 363 L C 0.365 176.717 176.870 -0.863 0.000 1.094 363 L CA 0.697 55.129 54.840 -0.680 0.000 0.790 363 L CB 0.231 41.777 42.059 -0.856 0.000 0.932 363 L HN 0.230 nan 8.230 nan 0.000 0.447 364 Y N -0.278 119.862 120.300 -0.266 0.000 2.562 364 Y HA 0.299 4.849 4.550 -0.000 0.000 0.363 364 Y C -2.307 173.403 175.900 -0.316 0.000 0.991 364 Y CA -2.686 55.081 58.100 -0.556 0.000 1.121 364 Y CB 0.100 37.728 38.460 -1.387 0.000 1.159 364 Y HN -0.070 nan 8.280 nan 0.000 0.651 365 P HA 0.166 nan 4.420 nan 0.000 0.282 365 P C -2.413 174.934 177.300 0.080 0.000 1.274 365 P CA -1.635 61.437 63.100 -0.045 0.000 0.770 365 P CB 2.125 33.781 31.700 -0.074 0.000 0.867 366 P HA -0.109 nan 4.420 nan 0.000 0.215 366 P C 0.417 177.742 177.300 0.042 0.000 1.157 366 P CA 1.646 64.833 63.100 0.145 0.000 0.868 366 P CB 0.029 31.769 31.700 0.067 0.000 0.788 367 A N 0.275 123.044 122.820 -0.084 0.000 2.341 367 A HA 0.228 4.547 4.320 -0.000 0.000 0.326 367 A C 0.864 178.352 177.584 -0.159 0.000 1.402 367 A CA -0.861 51.064 52.037 -0.187 0.000 0.957 367 A CB -0.425 18.438 19.000 -0.227 0.000 1.151 367 A HN 0.310 nan 8.150 nan 0.000 0.533 368 W N 2.691 123.966 121.300 -0.042 0.000 2.584 368 W HA 0.371 5.031 4.660 -0.000 0.000 0.264 368 W C 0.203 176.704 176.519 -0.031 0.000 1.264 368 W CA 0.550 57.871 57.345 -0.040 0.000 1.306 368 W CB -0.241 29.189 29.460 -0.050 0.000 1.110 368 W HN 0.789 nan 8.180 nan 0.000 0.606 369 G N -0.369 108.266 108.800 -0.275 0.000 2.348 369 G HA2 0.381 4.341 3.960 -0.000 0.000 0.296 369 G HA3 0.381 4.341 3.960 -0.000 0.000 0.296 369 G C -1.547 173.104 174.900 -0.415 0.000 1.258 369 G CA 0.025 45.068 45.100 -0.095 0.000 0.868 369 G HN 0.069 nan 8.290 nan 0.000 0.488 370 T N -1.357 113.066 114.554 -0.219 0.000 2.792 370 T HA 0.705 5.055 4.350 -0.000 0.000 0.303 370 T C -2.045 172.561 174.700 -0.156 0.000 1.310 370 T CA -0.486 61.532 62.100 -0.136 0.000 1.007 370 T CB 1.275 70.159 68.868 0.028 0.000 1.335 370 T HN 0.577 nan 8.240 nan 0.000 0.504 371 F N 1.752 121.904 119.950 0.337 0.000 2.540 371 F HA 0.748 5.275 4.527 -0.000 0.000 0.317 371 F C 0.537 176.537 175.800 0.333 0.000 1.104 371 F CA -1.057 57.146 58.000 0.339 0.000 0.913 371 F CB 1.774 40.916 39.000 0.236 0.000 1.170 371 F HN 0.179 nan 8.300 nan 0.000 0.450 372 R N 1.794 122.599 120.500 0.508 0.000 2.778 372 R HA 0.547 4.887 4.340 -0.000 0.000 0.277 372 R C -1.457 174.991 176.300 0.247 0.000 0.977 372 R CA -1.277 55.026 56.100 0.338 0.000 0.950 372 R CB 2.441 32.924 30.300 0.305 0.000 1.165 372 R HN 0.588 nan 8.270 nan 0.000 0.474 373 L N 2.876 124.224 121.223 0.208 0.000 2.278 373 L HA 0.295 4.635 4.340 -0.000 0.000 0.287 373 L C -0.757 176.203 176.870 0.149 0.000 1.072 373 L CA -0.469 54.459 54.840 0.147 0.000 0.819 373 L CB 0.559 42.696 42.059 0.129 0.000 1.176 373 L HN 0.459 nan 8.230 nan 0.000 0.435 374 L N 5.039 126.301 121.223 0.064 0.000 2.283 374 L HA 0.281 4.621 4.340 -0.000 0.000 0.287 374 L C 1.037 177.962 176.870 0.092 0.000 1.073 374 L CA 0.693 55.577 54.840 0.072 0.000 0.822 374 L CB 0.518 42.537 42.059 -0.067 0.000 1.186 374 L HN 0.793 nan 8.230 nan 0.000 0.436 375 E N 3.167 123.443 120.200 0.128 0.000 2.170 375 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 375 E C -0.443 176.197 176.600 0.066 0.000 0.981 375 E CA 0.696 57.144 56.400 0.081 0.000 0.830 375 E CB 0.311 30.049 29.700 0.064 0.000 0.775 375 E HN 0.719 nan 8.360 nan 0.000 0.470 376 E N 0.939 121.190 120.200 0.085 0.000 2.317 376 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 376 E C -0.930 175.714 176.600 0.074 0.000 0.885 376 E CA -0.672 55.768 56.400 0.067 0.000 0.760 376 E CB 1.637 31.374 29.700 0.063 0.000 1.227 376 E HN -0.054 nan 8.360 nan 0.000 0.434 377 E N 1.568 121.798 120.200 0.051 0.000 2.829 377 E HA -0.070 4.279 4.350 -0.000 0.000 0.264 377 E C -0.926 175.714 176.600 0.068 0.000 0.922 377 E CA 0.917 57.345 56.400 0.046 0.000 0.960 377 E CB 0.401 30.120 29.700 0.031 0.000 0.918 377 E HN 0.449 nan 8.360 nan 0.000 0.497 378 T N 4.131 118.730 114.554 0.075 0.000 2.894 378 T HA 0.302 4.651 4.350 -0.000 0.000 0.309 378 T C -0.986 173.766 174.700 0.086 0.000 1.208 378 T CA -0.797 61.367 62.100 0.106 0.000 1.016 378 T CB 0.992 69.975 68.868 0.191 0.000 1.192 378 T HN 0.394 nan 8.240 nan 0.000 0.491 379 L N 2.723 123.994 121.223 0.080 0.000 2.268 379 L HA 0.582 4.922 4.340 -0.000 0.000 0.289 379 L C -1.144 175.774 176.870 0.081 0.000 1.064 379 L CA -0.185 54.691 54.840 0.060 0.000 0.824 379 L CB -0.188 41.895 42.059 0.040 0.000 1.202 379 L HN 0.547 nan 8.230 nan 0.000 0.433 380 I N 4.778 125.399 120.570 0.085 0.000 2.354 380 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 380 I C -0.242 175.915 176.117 0.067 0.000 1.007 380 I CA -0.641 60.724 61.300 0.109 0.000 1.167 380 I CB 1.108 39.205 38.000 0.162 0.000 1.320 380 I HN 0.541 nan 8.210 nan 0.000 0.458 381 D N 5.490 125.923 120.400 0.055 0.000 2.708 381 D HA -0.187 4.453 4.640 -0.000 0.000 0.236 381 D C 1.101 177.421 176.300 0.033 0.000 1.146 381 D CA 1.501 55.527 54.000 0.043 0.000 0.662 381 D CB -0.831 40.002 40.800 0.055 0.000 1.059 381 D HN 1.169 nan 8.370 nan 0.000 0.428 382 G N -1.734 107.083 108.800 0.028 0.000 2.153 382 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 382 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 382 G C 0.232 175.142 174.900 0.018 0.000 0.994 382 G CA 0.340 45.453 45.100 0.021 0.000 0.698 382 G HN 0.643 nan 8.290 nan 0.000 0.521 383 V N 1.048 120.974 119.914 0.021 0.000 2.531 383 V HA 0.503 4.622 4.120 -0.000 0.000 0.301 383 V C 0.632 176.734 176.094 0.015 0.000 1.034 383 V CA -1.372 60.935 62.300 0.012 0.000 0.865 383 V CB 1.757 33.583 31.823 0.005 0.000 0.995 383 V HN 0.304 nan 8.190 nan 0.000 0.424 384 R N 2.770 123.275 120.500 0.008 0.000 2.401 384 R HA 0.397 4.736 4.340 -0.000 0.000 0.299 384 R C -0.896 175.405 176.300 0.001 0.000 1.064 384 R CA -0.059 56.047 56.100 0.010 0.000 1.000 384 R CB 1.250 31.553 30.300 0.005 0.000 0.973 384 R HN 0.518 nan 8.270 nan 0.000 0.438 385 V N 6.700 126.619 119.914 0.007 0.000 2.409 385 V HA 0.259 4.379 4.120 -0.000 0.000 0.291 385 V C -2.058 174.035 176.094 -0.002 0.000 1.020 385 V CA -2.353 59.941 62.300 -0.010 0.000 0.848 385 V CB 1.802 33.610 31.823 -0.025 0.000 0.990 385 V HN 0.609 nan 8.190 nan 0.000 0.430 386 P HA 0.124 nan 4.420 nan 0.000 0.268 386 P C 0.501 177.804 177.300 0.005 0.000 1.208 386 P CA 0.365 63.464 63.100 -0.002 0.000 0.777 386 P CB 0.484 32.178 31.700 -0.009 0.000 0.875 387 G N 1.169 109.978 108.800 0.015 0.000 2.636 387 G HA2 0.097 4.057 3.960 -0.000 0.000 0.246 387 G HA3 0.097 4.057 3.960 -0.000 0.000 0.246 387 G C 0.210 175.121 174.900 0.018 0.000 1.216 387 G CA -0.197 44.918 45.100 0.025 0.000 0.854 387 G HN 0.667 nan 8.290 nan 0.000 0.572 388 N N -1.548 117.168 118.700 0.026 0.000 2.780 388 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 388 N C -0.167 175.350 175.510 0.012 0.000 1.102 388 N CA 1.279 54.343 53.050 0.024 0.000 0.697 388 N CB -1.114 37.385 38.487 0.020 0.000 1.028 388 N HN 0.589 nan 8.380 nan 0.000 0.554 389 T N 0.935 115.492 114.554 0.004 0.000 2.771 389 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 389 T C -2.646 172.046 174.700 -0.013 0.000 0.982 389 T CA -1.205 60.886 62.100 -0.016 0.000 0.978 389 T CB 1.945 70.789 68.868 -0.040 0.000 0.930 389 T HN -0.076 nan 8.240 nan 0.000 0.447 390 P HA 0.247 nan 4.420 nan 0.000 0.276 390 P C -0.608 176.720 177.300 0.047 0.000 1.264 390 P CA -0.331 62.797 63.100 0.046 0.000 0.769 390 P CB 0.231 31.925 31.700 -0.010 0.000 0.840 391 L N 4.296 125.525 121.223 0.009 0.000 2.290 391 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 391 L C 0.576 177.329 176.870 -0.194 0.000 1.078 391 L CA -0.601 54.101 54.840 -0.230 0.000 0.815 391 L CB 0.689 42.444 42.059 -0.505 0.000 1.162 391 L HN 0.280 nan 8.230 nan 0.000 0.435 392 L N 3.830 124.854 121.223 -0.331 0.000 2.282 392 L HA 0.534 4.874 4.340 -0.000 0.000 0.288 392 L C -1.201 175.351 176.870 -0.531 0.000 1.033 392 L CA -0.271 54.379 54.840 -0.317 0.000 0.807 392 L CB 0.952 42.937 42.059 -0.122 0.000 1.209 392 L HN 0.353 nan 8.230 nan 0.000 0.423 393 F N 3.098 123.045 119.950 -0.006 0.000 2.482 393 F HA 0.452 4.978 4.527 -0.000 0.000 0.331 393 F C 0.254 176.260 175.800 0.344 0.000 1.115 393 F CA -0.531 57.566 58.000 0.162 0.000 0.955 393 F CB 2.119 41.185 39.000 0.110 0.000 1.136 393 F HN 0.319 nan 8.300 nan 0.000 0.452 394 S N 1.391 117.415 115.700 0.540 0.000 2.707 394 S HA 0.225 4.694 4.470 -0.000 0.000 0.303 394 S C 0.467 175.181 174.600 0.189 0.000 1.132 394 S CA -0.378 58.087 58.200 0.440 0.000 1.046 394 S CB 1.471 64.868 63.200 0.329 0.000 1.004 394 S HN 0.796 nan 8.310 nan 0.000 0.483 395 T N 3.554 117.962 114.554 -0.244 0.000 3.043 395 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 395 T C 1.351 175.936 174.700 -0.191 0.000 1.094 395 T CA 1.149 62.827 62.100 -0.703 0.000 1.127 395 T CB -0.410 67.685 68.868 -1.288 0.000 0.905 395 T HN 0.743 nan 8.240 nan 0.000 0.490 396 Y N 1.132 121.367 120.300 -0.109 0.000 2.145 396 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 396 Y C 2.175 178.051 175.900 -0.039 0.000 1.145 396 Y CA 1.490 59.548 58.100 -0.069 0.000 1.148 396 Y CB -0.410 38.040 38.460 -0.016 0.000 0.981 396 Y HN 0.046 nan 8.280 nan 0.000 0.507 397 V N 0.504 120.503 119.914 0.143 0.000 2.270 397 V HA -0.352 3.768 4.120 -0.000 0.000 0.245 397 V C 2.328 178.480 176.094 0.097 0.000 1.043 397 V CA 2.388 64.751 62.300 0.105 0.000 1.014 397 V CB -0.591 31.345 31.823 0.189 0.000 0.645 397 V HN 0.468 nan 8.190 nan 0.000 0.447 398 M N 0.260 119.975 119.600 0.191 0.000 2.296 398 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 398 M C 2.167 178.713 176.300 0.411 0.000 1.064 398 M CA 1.757 57.275 55.300 0.363 0.000 1.109 398 M CB -0.766 32.024 32.600 0.316 0.000 1.396 398 M HN 0.492 nan 8.290 nan 0.000 0.430 399 G N 0.141 109.039 108.800 0.163 0.000 2.443 399 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 399 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 399 G C 1.549 176.381 174.900 -0.113 0.000 1.131 399 G CA 0.434 45.517 45.100 -0.028 0.000 0.775 399 G HN 0.398 nan 8.290 nan 0.000 0.547 400 R N -0.722 119.711 120.500 -0.112 0.000 2.427 400 R HA 0.375 4.715 4.340 -0.000 0.000 0.262 400 R C 0.145 176.431 176.300 -0.023 0.000 0.943 400 R CA -0.230 55.782 56.100 -0.147 0.000 1.081 400 R CB 0.292 30.403 30.300 -0.316 0.000 1.166 400 R HN 0.275 nan 8.270 nan 0.000 0.534 401 M N 1.491 121.147 119.600 0.094 0.000 2.088 401 M HA 0.068 4.547 4.480 -0.000 0.000 0.346 401 M C 0.272 176.559 176.300 -0.022 0.000 1.111 401 M CA -0.489 54.817 55.300 0.010 0.000 1.017 401 M CB 1.626 34.206 32.600 -0.033 0.000 1.568 401 M HN 0.046 nan 8.290 nan 0.000 0.445 402 D N 0.084 120.447 120.400 -0.061 0.000 2.311 402 D HA -0.188 4.452 4.640 -0.000 0.000 0.212 402 D C 1.667 177.891 176.300 -0.126 0.000 0.972 402 D CA 1.647 55.612 54.000 -0.057 0.000 0.887 402 D CB -0.532 40.235 40.800 -0.055 0.000 0.915 402 D HN 0.637 nan 8.370 nan 0.000 0.497 403 T N -2.074 112.320 114.554 -0.266 0.000 2.995 403 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 403 T C 0.995 175.454 174.700 -0.401 0.000 1.091 403 T CA 0.716 62.587 62.100 -0.381 0.000 1.128 403 T CB -0.319 68.255 68.868 -0.490 0.000 0.891 403 T HN 0.201 nan 8.240 nan 0.000 0.492 404 Y N -0.738 119.494 120.300 -0.114 0.000 2.498 404 Y HA 0.508 5.058 4.550 -0.000 0.000 0.259 404 Y C 0.033 175.516 175.900 -0.695 0.000 1.086 404 Y CA -1.447 56.441 58.100 -0.354 0.000 1.287 404 Y CB 0.424 38.699 38.460 -0.309 0.000 1.146 404 Y HN 0.179 nan 8.280 nan 0.000 0.523 405 F N 0.568 120.540 119.950 0.038 0.000 2.579 405 F HA 0.290 4.817 4.527 -0.000 0.000 0.325 405 F C -0.010 175.750 175.800 -0.067 0.000 1.162 405 F CA -1.557 56.420 58.000 -0.038 0.000 0.946 405 F CB 1.407 40.373 39.000 -0.056 0.000 1.211 405 F HN -0.262 nan 8.300 nan 0.000 0.447 406 E N 2.529 122.772 120.200 0.073 0.000 2.417 406 E HA -0.001 4.349 4.350 -0.000 0.000 0.261 406 E C -0.476 176.140 176.600 0.025 0.000 1.000 406 E CA 0.348 56.760 56.400 0.019 0.000 0.919 406 E CB 0.331 30.026 29.700 -0.009 0.000 0.955 406 E HN 0.654 nan 8.360 nan 0.000 0.455 407 D N 4.185 124.587 120.400 0.004 0.000 2.956 407 D HA -0.120 4.520 4.640 -0.000 0.000 0.240 407 D C -1.907 174.383 176.300 -0.017 0.000 1.141 407 D CA 0.421 54.414 54.000 -0.011 0.000 0.820 407 D CB 0.014 40.805 40.800 -0.015 0.000 0.988 407 D HN 0.382 nan 8.370 nan 0.000 0.417 408 P HA -0.113 nan 4.420 nan 0.000 0.220 408 P C 1.889 179.125 177.300 -0.106 0.000 1.148 408 P CA 0.688 63.764 63.100 -0.039 0.000 0.803 408 P CB 0.093 31.782 31.700 -0.018 0.000 0.782 409 L N -1.160 120.014 121.223 -0.083 0.000 2.552 409 L HA 0.048 4.388 4.340 -0.000 0.000 0.227 409 L C 0.734 177.575 176.870 -0.049 0.000 1.146 409 L CA 0.493 55.281 54.840 -0.087 0.000 0.858 409 L CB -0.983 41.036 42.059 -0.067 0.000 0.969 409 L HN -0.105 nan 8.230 nan 0.000 0.451 410 T N 0.548 115.080 114.554 -0.036 0.000 2.794 410 T HA 0.110 4.459 4.350 -0.000 0.000 0.296 410 T C -0.386 174.327 174.700 0.022 0.000 0.949 410 T CA -0.229 61.874 62.100 0.005 0.000 1.101 410 T CB 0.453 69.318 68.868 -0.005 0.000 0.905 410 T HN -0.055 nan 8.240 nan 0.000 0.516 411 F N 5.228 125.145 119.950 -0.055 0.000 2.468 411 F HA 0.351 4.878 4.527 -0.000 0.000 0.356 411 F C 0.410 176.206 175.800 -0.008 0.000 1.167 411 F CA -0.667 57.312 58.000 -0.035 0.000 1.135 411 F CB 0.036 39.038 39.000 0.003 0.000 1.197 411 F HN 0.405 nan 8.300 nan 0.000 0.569 412 N N 8.021 126.505 118.700 -0.359 0.000 2.609 412 N HA 0.378 5.118 4.740 -0.000 0.000 0.268 412 N C -2.449 172.907 175.510 -0.257 0.000 1.106 412 N CA -2.308 50.614 53.050 -0.213 0.000 0.823 412 N CB 1.614 40.044 38.487 -0.095 0.000 1.263 412 N HN 0.136 nan 8.380 nan 0.000 0.533 413 P HA -0.003 nan 4.420 nan 0.000 0.225 413 P C 0.361 177.672 177.300 0.018 0.000 1.148 413 P CA 0.717 63.714 63.100 -0.172 0.000 0.779 413 P CB 0.410 31.934 31.700 -0.294 0.000 0.780 414 D N -0.441 119.984 120.400 0.042 0.000 2.311 414 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 414 D C 1.794 178.082 176.300 -0.020 0.000 0.972 414 D CA 0.768 54.802 54.000 0.056 0.000 0.887 414 D CB -0.331 40.497 40.800 0.046 0.000 0.915 414 D HN 0.248 nan 8.370 nan 0.000 0.497 415 R N -0.606 119.833 120.500 -0.103 0.000 2.193 415 R HA -0.053 4.286 4.340 -0.000 0.000 0.229 415 R C 1.055 177.093 176.300 -0.437 0.000 1.110 415 R CA 0.649 56.578 56.100 -0.285 0.000 0.988 415 R CB -0.089 29.935 30.300 -0.460 0.000 0.871 415 R HN 0.204 nan 8.270 nan 0.000 0.458 416 F N -0.253 119.638 119.950 -0.098 0.000 2.639 416 F HA 0.283 4.810 4.527 -0.000 0.000 0.302 416 F C 1.439 177.215 175.800 -0.040 0.000 1.097 416 F CA -0.589 57.357 58.000 -0.090 0.000 1.294 416 F CB 0.322 39.242 39.000 -0.133 0.000 1.027 416 F HN -0.069 nan 8.300 nan 0.000 0.550 417 G N 1.841 110.697 108.800 0.094 0.000 2.664 417 G HA2 0.211 4.171 3.960 -0.000 0.000 0.242 417 G HA3 0.211 4.171 3.960 -0.000 0.000 0.242 417 G C -2.284 172.652 174.900 0.060 0.000 1.225 417 G CA -0.862 44.291 45.100 0.088 0.000 0.849 417 G HN -0.083 nan 8.290 nan 0.000 0.581 418 P HA 0.188 nan 4.420 nan 0.000 0.267 418 P C 0.904 178.217 177.300 0.021 0.000 1.205 418 P CA 1.067 64.191 63.100 0.039 0.000 0.765 418 P CB 1.073 32.795 31.700 0.037 0.000 0.828 419 G N 2.350 111.158 108.800 0.012 0.000 2.349 419 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 419 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 419 G C 0.361 175.253 174.900 -0.014 0.000 1.044 419 G CA 0.010 45.109 45.100 -0.000 0.000 0.633 419 G HN 0.857 nan 8.290 nan 0.000 0.506 420 A N 2.099 124.906 122.820 -0.022 0.000 2.524 420 A HA 0.589 4.909 4.320 -0.000 0.000 0.250 420 A C -1.309 176.240 177.584 -0.058 0.000 1.078 420 A CA -0.123 51.883 52.037 -0.052 0.000 0.761 420 A CB -0.320 18.630 19.000 -0.083 0.000 1.012 420 A HN 0.304 nan 8.150 nan 0.000 0.500 421 P HA 0.065 nan 4.420 nan 0.000 0.262 421 P C -0.213 177.036 177.300 -0.085 0.000 1.182 421 P CA 0.272 63.334 63.100 -0.064 0.000 0.761 421 P CB 0.349 32.008 31.700 -0.069 0.000 0.795 422 K N 4.421 124.788 120.400 -0.056 0.000 2.355 422 K HA 0.155 4.475 4.320 -0.000 0.000 0.270 422 K C -1.827 174.726 176.600 -0.078 0.000 1.003 422 K CA -1.149 55.113 56.287 -0.042 0.000 0.957 422 K CB -0.393 32.105 32.500 -0.003 0.000 0.939 422 K HN 0.425 nan 8.250 nan 0.000 0.482 423 P HA 0.025 nan 4.420 nan 0.000 0.268 423 P C -0.943 176.304 177.300 -0.089 0.000 1.205 423 P CA 0.090 63.149 63.100 -0.068 0.000 0.771 423 P CB 0.550 32.303 31.700 0.089 0.000 0.858 424 R N 2.933 123.357 120.500 -0.126 0.000 2.471 424 R HA 0.280 4.620 4.340 -0.000 0.000 0.292 424 R C -0.239 176.021 176.300 -0.067 0.000 1.192 424 R CA -0.530 55.457 56.100 -0.188 0.000 1.257 424 R CB -0.876 29.396 30.300 -0.047 0.000 1.130 424 R HN 0.431 nan 8.270 nan 0.000 0.558 425 F N -0.244 119.734 119.950 0.047 0.000 2.988 425 F HA -0.316 4.211 4.527 -0.000 0.000 0.287 425 F C 1.337 177.192 175.800 0.092 0.000 0.781 425 F CA 1.241 59.263 58.000 0.037 0.000 1.221 425 F CB -1.754 37.211 39.000 -0.058 0.000 1.392 425 F HN 0.478 nan 8.300 nan 0.000 0.425 426 T N -3.902 110.772 114.554 0.200 0.000 3.054 426 T HA 0.282 4.632 4.350 -0.000 0.000 0.255 426 T C -0.328 174.652 174.700 0.467 0.000 1.035 426 T CA 0.125 62.322 62.100 0.161 0.000 0.941 426 T CB 0.311 69.066 68.868 -0.188 0.000 1.026 426 T HN 0.358 nan 8.240 nan 0.000 0.533 427 Y N 1.878 122.403 120.300 0.376 0.000 2.330 427 Y HA 0.499 5.049 4.550 -0.000 0.000 0.324 427 Y C -2.089 174.001 175.900 0.316 0.000 1.093 427 Y CA -2.712 55.532 58.100 0.241 0.000 1.103 427 Y CB 1.040 39.693 38.460 0.320 0.000 1.183 427 Y HN 0.237 nan 8.280 nan 0.000 0.433 428 F N 6.448 126.232 119.950 -0.277 0.000 2.706 428 F HA 0.476 5.002 4.527 -0.000 0.000 0.365 428 F C -2.642 172.967 175.800 -0.319 0.000 1.469 428 F CA -2.188 55.661 58.000 -0.253 0.000 1.110 428 F CB 0.394 39.358 39.000 -0.061 0.000 1.893 428 F HN 0.124 nan 8.300 nan 0.000 0.573 429 P HA -0.065 nan 4.420 nan 0.000 0.228 429 P C 0.459 177.387 177.300 -0.620 0.000 1.151 429 P CA 1.201 63.927 63.100 -0.624 0.000 0.770 429 P CB -0.014 31.214 31.700 -0.788 0.000 0.786 430 F N -1.022 118.833 119.950 -0.158 0.000 2.683 430 F HA 0.326 4.853 4.527 -0.000 0.000 0.306 430 F C 1.249 177.024 175.800 -0.042 0.000 1.102 430 F CA -0.099 57.843 58.000 -0.097 0.000 1.244 430 F CB -0.028 38.922 39.000 -0.084 0.000 1.029 430 F HN -0.150 nan 8.300 nan 0.000 0.545 431 S N 0.231 116.029 115.700 0.163 0.000 3.697 431 S HA -0.145 4.325 4.470 -0.000 0.000 0.638 431 S C -0.846 173.814 174.600 0.099 0.000 2.176 431 S CA 0.085 58.385 58.200 0.167 0.000 2.349 431 S CB -0.723 62.499 63.200 0.036 0.000 0.329 431 S HN 0.227 nan 8.310 nan 0.000 1.794 432 L N 0.741 121.944 121.223 -0.033 0.000 2.409 432 L HA 0.704 5.044 4.340 -0.000 0.000 0.255 432 L C 0.963 177.796 176.870 -0.062 0.000 1.027 432 L CA -0.166 54.654 54.840 -0.033 0.000 0.834 432 L CB 1.518 43.541 42.059 -0.061 0.000 1.426 432 L HN 1.685 nan 8.230 nan 0.000 0.411 433 G N 0.471 109.280 108.800 0.015 0.000 2.569 433 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.259 433 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.259 433 G C 0.673 175.615 174.900 0.069 0.000 1.263 433 G CA 0.559 45.698 45.100 0.064 0.000 0.928 433 G HN 1.087 nan 8.290 nan 0.000 0.572 434 H N 0.680 119.769 119.070 0.031 0.000 2.457 434 H HA 0.071 4.627 4.556 -0.000 0.000 0.294 434 H C 2.051 177.369 175.328 -0.018 0.000 1.064 434 H CA 1.525 57.636 56.048 0.105 0.000 1.330 434 H CB -0.093 29.788 29.762 0.198 0.000 1.395 434 H HN 0.369 nan 8.280 nan 0.000 0.541 435 R N 2.133 122.236 120.500 -0.662 0.000 2.356 435 R HA 0.104 4.444 4.340 -0.000 0.000 0.234 435 R C 0.686 176.842 176.300 -0.239 0.000 0.929 435 R CA 0.356 56.110 56.100 -0.578 0.000 1.084 435 R CB -0.365 29.464 30.300 -0.785 0.000 1.105 435 R HN 0.490 nan 8.270 nan 0.000 0.515 436 S N -0.415 115.217 115.700 -0.113 0.000 2.580 436 S HA -0.028 4.441 4.470 -0.000 0.000 0.266 436 S C 0.734 175.330 174.600 -0.007 0.000 1.354 436 S CA -0.734 57.449 58.200 -0.027 0.000 1.008 436 S CB 0.976 64.189 63.200 0.021 0.000 0.898 436 S HN 0.344 nan 8.310 nan 0.000 0.555 437 C N 3.399 122.716 119.300 0.029 0.000 2.601 437 C HA 0.126 4.586 4.460 -0.000 0.000 0.405 437 C C 1.859 176.794 174.990 -0.092 0.000 1.441 437 C CA -0.410 58.611 59.018 0.005 0.000 1.555 437 C CB -2.256 25.597 27.740 0.189 0.000 2.450 437 C HN 0.953 nan 8.230 nan 0.000 0.614 438 I N 4.730 125.197 120.570 -0.172 0.000 2.423 438 I HA -0.031 4.139 4.170 -0.000 0.000 0.254 438 I C 2.018 177.784 176.117 -0.584 0.000 1.151 438 I CA 2.028 63.107 61.300 -0.368 0.000 1.421 438 I CB -0.048 37.695 38.000 -0.429 0.000 1.079 438 I HN 0.904 nan 8.210 nan 0.000 0.431 439 G N -0.410 108.167 108.800 -0.373 0.000 3.042 439 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.212 439 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.212 439 G C 1.225 176.121 174.900 -0.007 0.000 1.166 439 G CA 0.076 45.067 45.100 -0.180 0.000 0.767 439 G HN 0.456 nan 8.290 nan 0.000 0.546 440 Q N 0.164 119.859 119.800 -0.176 0.000 1.978 440 Q HA -0.331 4.009 4.340 -0.000 0.000 0.211 440 Q C 2.440 178.273 176.000 -0.277 0.000 1.013 440 Q CA 2.457 57.923 55.803 -0.562 0.000 0.869 440 Q CB -0.085 28.162 28.738 -0.819 0.000 0.953 440 Q HN 0.448 nan 8.270 nan 0.000 0.415 441 Q N -0.284 119.464 119.800 -0.086 0.000 2.124 441 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 441 Q C 1.713 177.852 176.000 0.233 0.000 0.977 441 Q CA 1.839 57.679 55.803 0.062 0.000 0.850 441 Q CB -0.409 28.394 28.738 0.109 0.000 0.901 441 Q HN 0.530 nan 8.270 nan 0.000 0.429 442 F N 0.508 120.567 119.950 0.181 0.000 2.095 442 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 442 F C 2.017 177.917 175.800 0.167 0.000 1.104 442 F CA 1.242 59.422 58.000 0.298 0.000 1.232 442 F CB -0.163 39.092 39.000 0.425 0.000 0.987 442 F HN 0.120 nan 8.300 nan 0.000 0.475 443 A N 0.100 123.238 122.820 0.529 0.000 1.858 443 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 443 A C 2.050 179.767 177.584 0.222 0.000 1.190 443 A CA 1.874 54.139 52.037 0.379 0.000 0.617 443 A CB -1.007 18.235 19.000 0.402 0.000 0.827 443 A HN 0.613 nan 8.150 nan 0.000 0.443 444 Q N -0.967 118.933 119.800 0.166 0.000 2.170 444 Q HA -0.153 4.187 4.340 -0.000 0.000 0.203 444 Q C 2.187 178.233 176.000 0.077 0.000 0.976 444 Q CA 1.724 57.604 55.803 0.127 0.000 0.858 444 Q CB -0.313 28.458 28.738 0.055 0.000 0.907 444 Q HN 0.739 nan 8.270 nan 0.000 0.433 445 M N 0.495 120.143 119.600 0.080 0.000 2.064 445 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 445 M C 2.317 178.520 176.300 -0.161 0.000 1.073 445 M CA 1.842 57.183 55.300 0.069 0.000 1.124 445 M CB -0.454 32.311 32.600 0.275 0.000 1.326 445 M HN 0.234 nan 8.290 nan 0.000 0.410 446 E N 0.953 120.831 120.200 -0.535 0.000 2.085 446 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 446 E C 1.847 178.258 176.600 -0.315 0.000 0.994 446 E CA 2.012 57.903 56.400 -0.848 0.000 0.801 446 E CB -0.647 28.424 29.700 -1.048 0.000 0.743 446 E HN 0.486 nan 8.360 nan 0.000 0.453 447 V N -0.385 119.447 119.914 -0.135 0.000 2.453 447 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 447 V C 2.251 178.304 176.094 -0.069 0.000 1.048 447 V CA 1.739 63.992 62.300 -0.079 0.000 1.049 447 V CB -0.552 31.248 31.823 -0.038 0.000 0.672 447 V HN 0.092 nan 8.190 nan 0.000 0.457 448 K N 0.227 120.603 120.400 -0.040 0.000 2.032 448 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 448 K C 2.203 178.784 176.600 -0.031 0.000 1.048 448 K CA 1.875 58.147 56.287 -0.024 0.000 0.927 448 K CB -0.471 32.025 32.500 -0.007 0.000 0.712 448 K HN 0.488 nan 8.250 nan 0.000 0.441 449 V N 0.872 120.759 119.914 -0.046 0.000 2.255 449 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 449 V C 2.285 178.365 176.094 -0.023 0.000 1.051 449 V CA 1.644 63.927 62.300 -0.029 0.000 1.018 449 V CB -0.359 31.458 31.823 -0.009 0.000 0.641 449 V HN 0.103 nan 8.190 nan 0.000 0.445 450 V N -0.669 119.217 119.914 -0.046 0.000 2.295 450 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 450 V C 2.504 178.589 176.094 -0.014 0.000 1.049 450 V CA 2.085 64.370 62.300 -0.024 0.000 1.024 450 V CB -0.598 31.198 31.823 -0.045 0.000 0.648 450 V HN 0.406 nan 8.190 nan 0.000 0.447 451 M N -0.325 119.253 119.600 -0.035 0.000 2.132 451 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 451 M C 2.446 178.753 176.300 0.011 0.000 1.065 451 M CA 2.136 57.419 55.300 -0.028 0.000 1.122 451 M CB -1.543 31.026 32.600 -0.051 0.000 1.365 451 M HN 0.410 nan 8.290 nan 0.000 0.411 452 A N 0.581 123.407 122.820 0.009 0.000 1.892 452 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 452 A C 2.292 179.899 177.584 0.038 0.000 1.188 452 A CA 1.841 53.893 52.037 0.024 0.000 0.631 452 A CB -0.632 18.374 19.000 0.010 0.000 0.822 452 A HN 0.452 nan 8.150 nan 0.000 0.447 453 K N -0.556 119.866 120.400 0.036 0.000 2.063 453 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 453 K C 1.933 178.579 176.600 0.076 0.000 1.048 453 K CA 1.486 57.803 56.287 0.051 0.000 0.928 453 K CB -0.453 32.078 32.500 0.051 0.000 0.713 453 K HN 0.525 nan 8.250 nan 0.000 0.442 454 L N 0.719 122.002 121.223 0.099 0.000 2.093 454 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 454 L C 2.351 179.331 176.870 0.183 0.000 1.085 454 L CA 0.807 55.756 54.840 0.181 0.000 0.755 454 L CB -0.341 41.853 42.059 0.225 0.000 0.904 454 L HN 0.136 nan 8.230 nan 0.000 0.435 455 L N -0.872 120.427 121.223 0.127 0.000 2.156 455 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 455 L C 2.615 179.536 176.870 0.085 0.000 1.095 455 L CA 0.965 55.873 54.840 0.113 0.000 0.770 455 L CB -0.319 41.794 42.059 0.090 0.000 0.914 455 L HN 0.304 nan 8.230 nan 0.000 0.439 456 Q N -0.525 119.316 119.800 0.068 0.000 2.124 456 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 456 Q C 1.896 177.921 176.000 0.040 0.000 0.977 456 Q CA 1.268 57.101 55.803 0.050 0.000 0.850 456 Q CB 0.248 29.013 28.738 0.045 0.000 0.901 456 Q HN 0.417 nan 8.270 nan 0.000 0.429 457 R N -1.722 118.803 120.500 0.041 0.000 2.492 457 R HA 0.289 4.629 4.340 -0.000 0.000 0.219 457 R C 0.046 176.332 176.300 -0.022 0.000 0.886 457 R CA 0.164 56.272 56.100 0.014 0.000 1.003 457 R CB 0.881 31.193 30.300 0.019 0.000 1.345 457 R HN 0.096 nan 8.270 nan 0.000 0.631 458 L N 1.725 122.932 121.223 -0.027 0.000 2.362 458 L HA 0.420 4.760 4.340 -0.000 0.000 0.271 458 L C -0.511 176.255 176.870 -0.174 0.000 1.002 458 L CA -0.657 54.074 54.840 -0.182 0.000 0.818 458 L CB 2.522 44.375 42.059 -0.344 0.000 1.298 458 L HN -0.123 nan 8.230 nan 0.000 0.420 459 E N 1.964 122.001 120.200 -0.272 0.000 2.183 459 E HA 0.552 4.901 4.350 -0.000 0.000 0.271 459 E C -1.565 174.837 176.600 -0.330 0.000 0.919 459 E CA -0.587 55.728 56.400 -0.141 0.000 0.781 459 E CB 2.317 31.990 29.700 -0.046 0.000 1.140 459 E HN 0.203 nan 8.360 nan 0.000 0.402 460 F N 1.055 121.008 119.950 0.006 0.000 2.522 460 F HA 0.513 5.040 4.527 -0.000 0.000 0.324 460 F C 0.283 176.085 175.800 0.003 0.000 1.077 460 F CA -0.827 57.172 58.000 -0.001 0.000 0.944 460 F CB 1.653 40.648 39.000 -0.009 0.000 1.175 460 F HN 0.105 nan 8.300 nan 0.000 0.468 461 R N 2.339 122.941 120.500 0.170 0.000 2.502 461 R HA 0.408 4.748 4.340 -0.000 0.000 0.298 461 R C -1.551 174.796 176.300 0.079 0.000 1.018 461 R CA -1.136 55.026 56.100 0.103 0.000 0.899 461 R CB 2.177 32.509 30.300 0.054 0.000 1.181 461 R HN 0.478 nan 8.270 nan 0.000 0.444 462 L N 3.340 124.597 121.223 0.056 0.000 2.490 462 L HA 0.063 4.403 4.340 -0.000 0.000 0.274 462 L C -0.182 176.677 176.870 -0.018 0.000 1.201 462 L CA 0.375 55.207 54.840 -0.014 0.000 0.869 462 L CB 0.930 42.942 42.059 -0.079 0.000 1.123 462 L HN 0.327 nan 8.230 nan 0.000 0.484 463 V N 8.284 128.174 119.914 -0.039 0.000 2.521 463 V HA 0.144 4.264 4.120 -0.000 0.000 0.286 463 V C -1.726 174.344 176.094 -0.040 0.000 1.034 463 V CA -1.247 61.035 62.300 -0.030 0.000 1.045 463 V CB 0.446 32.250 31.823 -0.031 0.000 0.974 463 V HN 0.787 nan 8.190 nan 0.000 0.480 464 P HA 0.070 nan 4.420 nan 0.000 0.263 464 P C 0.918 178.204 177.300 -0.024 0.000 1.175 464 P CA 1.387 64.482 63.100 -0.009 0.000 0.761 464 P CB 0.323 32.025 31.700 0.003 0.000 0.794 465 G N 0.924 109.711 108.800 -0.022 0.000 2.176 465 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 465 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 465 G C 0.089 174.952 174.900 -0.063 0.000 0.979 465 G CA -0.340 44.743 45.100 -0.028 0.000 0.641 465 G HN 0.559 nan 8.290 nan 0.000 0.530 466 Q N 0.578 120.311 119.800 -0.111 0.000 2.286 466 Q HA 0.432 4.772 4.340 -0.000 0.000 0.257 466 Q C 0.856 176.700 176.000 -0.261 0.000 0.941 466 Q CA 0.055 55.746 55.803 -0.187 0.000 0.912 466 Q CB 0.856 29.451 28.738 -0.240 0.000 1.192 466 Q HN 0.574 nan 8.270 nan 0.000 0.410 467 R N 1.220 121.594 120.500 -0.211 0.000 2.500 467 R HA 0.283 4.623 4.340 -0.000 0.000 0.277 467 R C 0.274 176.423 176.300 -0.251 0.000 1.026 467 R CA -0.256 55.758 56.100 -0.144 0.000 1.058 467 R CB 0.577 30.858 30.300 -0.032 0.000 1.078 467 R HN 0.491 nan 8.270 nan 0.000 0.509 468 F N -0.038 119.915 119.950 0.005 0.000 2.660 468 F HA 0.232 4.759 4.527 -0.000 0.000 0.302 468 F C 1.428 177.265 175.800 0.062 0.000 1.103 468 F CA -0.283 57.724 58.000 0.013 0.000 1.340 468 F CB 0.441 39.452 39.000 0.018 0.000 1.048 468 F HN 0.616 nan 8.300 nan 0.000 0.551 469 G N 0.172 109.081 108.800 0.181 0.000 2.580 469 G HA2 0.525 4.485 3.960 -0.000 0.000 0.278 469 G HA3 0.525 4.485 3.960 -0.000 0.000 0.278 469 G C -0.866 174.144 174.900 0.183 0.000 1.212 469 G CA -0.361 44.844 45.100 0.174 0.000 0.939 469 G HN -0.048 nan 8.290 nan 0.000 0.513 470 L N -0.541 120.800 121.223 0.197 0.000 2.334 470 L HA 0.495 4.835 4.340 -0.000 0.000 0.270 470 L C 0.333 177.260 176.870 0.095 0.000 1.018 470 L CA -0.670 54.301 54.840 0.219 0.000 0.811 470 L CB 1.978 44.203 42.059 0.278 0.000 1.271 470 L HN 0.727 nan 8.230 nan 0.000 0.443 471 Q N 0.303 120.146 119.800 0.072 0.000 2.375 471 Q HA 0.489 4.829 4.340 -0.000 0.000 0.271 471 Q C -1.063 174.953 176.000 0.026 0.000 1.074 471 Q CA -0.749 55.067 55.803 0.022 0.000 0.808 471 Q CB 2.413 31.152 28.738 0.003 0.000 1.327 471 Q HN 0.586 nan 8.270 nan 0.000 0.441 472 E N 2.258 122.456 120.200 -0.003 0.000 2.014 472 E HA 0.083 4.433 4.350 -0.000 0.000 0.275 472 E C -0.711 175.921 176.600 0.054 0.000 0.997 472 E CA 0.025 56.441 56.400 0.028 0.000 0.804 472 E CB 1.073 30.762 29.700 -0.017 0.000 1.090 472 E HN 0.622 nan 8.360 nan 0.000 0.401 473 Q N 2.390 122.227 119.800 0.062 0.000 3.052 473 Q HA 0.374 4.714 4.340 -0.000 0.000 0.218 473 Q C 1.302 177.350 176.000 0.080 0.000 1.162 473 Q CA 0.800 56.635 55.803 0.054 0.000 0.379 473 Q CB 0.065 28.819 28.738 0.026 0.000 5.651 473 Q HN 0.599 nan 8.270 nan 0.000 0.323 474 A N -0.558 122.291 122.820 0.048 0.000 1.968 474 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 474 A C 0.902 178.517 177.584 0.053 0.000 1.169 474 A CA 1.722 53.779 52.037 0.034 0.000 0.638 474 A CB -0.739 18.269 19.000 0.013 0.000 0.812 474 A HN 0.635 nan 8.150 nan 0.000 0.446 475 T N -3.713 110.874 114.554 0.056 0.000 2.883 475 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 475 T C -0.332 174.453 174.700 0.141 0.000 1.041 475 T CA -0.875 61.270 62.100 0.076 0.000 1.007 475 T CB 0.771 69.648 68.868 0.015 0.000 1.220 475 T HN 0.085 nan 8.240 nan 0.000 0.552 476 L N 1.931 123.274 121.223 0.200 0.000 2.290 476 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 476 L C 0.427 177.468 176.870 0.287 0.000 1.078 476 L CA -0.600 54.393 54.840 0.254 0.000 0.815 476 L CB 0.512 42.745 42.059 0.290 0.000 1.162 476 L HN 0.774 nan 8.230 nan 0.000 0.435 477 K N 2.762 123.244 120.400 0.137 0.000 2.495 477 K HA 0.672 4.992 4.320 -0.000 0.000 0.268 477 K C -3.034 173.410 176.600 -0.259 0.000 1.008 477 K CA -2.270 53.863 56.287 -0.257 0.000 0.882 477 K CB 1.520 33.878 32.500 -0.237 0.000 1.443 477 K HN 0.042 nan 8.250 nan 0.000 0.447 478 P HA -0.048 nan 4.420 nan 0.000 0.266 478 P C 0.596 177.818 177.300 -0.129 0.000 1.195 478 P CA -0.371 62.567 63.100 -0.270 0.000 0.768 478 P CB 0.406 31.880 31.700 -0.378 0.000 0.838 479 L N 2.888 124.086 121.223 -0.041 0.000 1.989 479 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 479 L C 0.417 177.245 176.870 -0.070 0.000 1.071 479 L CA 2.110 56.929 54.840 -0.035 0.000 0.749 479 L CB -0.649 41.408 42.059 -0.003 0.000 0.890 479 L HN 0.296 nan 8.230 nan 0.000 0.431 480 D N -0.208 120.134 120.400 -0.097 0.000 2.193 480 D HA 0.271 4.910 4.640 -0.000 0.000 0.249 480 D C -1.852 174.360 176.300 -0.147 0.000 1.034 480 D CA -1.908 52.023 54.000 -0.115 0.000 0.902 480 D CB 1.010 41.732 40.800 -0.129 0.000 1.182 480 D HN 0.107 nan 8.370 nan 0.000 0.436 481 P HA -0.041 nan 4.420 nan 0.000 0.259 481 P C -0.106 177.100 177.300 -0.156 0.000 1.307 481 P CA 0.135 63.151 63.100 -0.141 0.000 0.768 481 P CB 0.034 31.670 31.700 -0.105 0.000 1.199 482 V N -2.306 117.503 119.914 -0.176 0.000 6.125 482 V HA -0.240 3.880 4.120 -0.000 0.000 0.281 482 V C 0.537 176.556 176.094 -0.125 0.000 0.591 482 V CA 0.338 62.527 62.300 -0.184 0.000 0.617 482 V CB -2.666 29.031 31.823 -0.210 0.000 0.336 482 V HN 0.241 nan 8.190 nan 0.000 0.650 483 L N 1.434 122.593 121.223 -0.107 0.000 2.361 483 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 483 L C 0.387 177.237 176.870 -0.034 0.000 1.113 483 L CA 0.265 55.069 54.840 -0.059 0.000 0.849 483 L CB 0.944 42.969 42.059 -0.055 0.000 1.155 483 L HN 0.627 nan 8.230 nan 0.000 0.452 484 C N 1.213 120.524 119.300 0.017 0.000 2.802 484 C HA 0.649 5.109 4.460 -0.000 0.000 0.307 484 C C 0.510 175.532 174.990 0.054 0.000 1.222 484 C CA -0.767 58.289 59.018 0.064 0.000 1.580 484 C CB 2.024 29.879 27.740 0.193 0.000 2.119 484 C HN 0.813 nan 8.230 nan 0.000 0.479 485 T N 0.438 115.015 114.554 0.039 0.000 2.929 485 T HA 0.849 5.199 4.350 -0.000 0.000 0.284 485 T C -0.873 173.811 174.700 -0.028 0.000 1.014 485 T CA -0.457 61.647 62.100 0.006 0.000 1.051 485 T CB 0.749 69.616 68.868 -0.003 0.000 1.028 485 T HN 0.384 nan 8.240 nan 0.000 0.485 486 L N 1.101 122.270 121.223 -0.090 0.000 2.333 486 L HA 0.820 5.160 4.340 -0.000 0.000 0.263 486 L C 0.094 176.862 176.870 -0.171 0.000 1.014 486 L CA -1.078 53.628 54.840 -0.224 0.000 0.820 486 L CB 1.848 43.705 42.059 -0.337 0.000 1.352 486 L HN 0.527 nan 8.230 nan 0.000 0.421 487 R N 0.703 121.077 120.500 -0.209 0.000 2.771 487 R HA 0.593 4.933 4.340 -0.000 0.000 0.274 487 R C -2.776 173.437 176.300 -0.145 0.000 0.987 487 R CA -2.158 53.862 56.100 -0.133 0.000 0.908 487 R CB 2.409 32.655 30.300 -0.090 0.000 1.213 487 R HN 0.319 nan 8.270 nan 0.000 0.468 488 P HA 0.182 nan 4.420 nan 0.000 0.272 488 P C -0.060 177.206 177.300 -0.057 0.000 1.223 488 P CA -0.289 62.767 63.100 -0.073 0.000 0.784 488 P CB 1.005 32.678 31.700 -0.045 0.000 0.923 489 R N 0.000 120.475 120.500 -0.041 0.000 2.786 489 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 489 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 489 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535