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 3gg2_1_A DATA FIRST_RESID 78 DATA SEQUENCE SLDIAVVGIG YVGLVSATCF AELGANVRCI DTDRNKIEQL NSGTIPIYEP DATA SEQUENCE GLEKMIARNV KAGRLRFGTE IEQAVPEADI IFIAVGTPAG EDGSADMSYV DATA SEQUENCE LDAARSIGRA MSRYILIVTK STVPVGSYRL IRKAIQEELD KREVLIDFDI DATA SEQUENCE ASNPEFLKEG NAIDDFMKPD RVVVGVDSDR ARELITSLYK PMLLNNFRVL DATA SEQUENCE FMDIASAEMT KYAANAMLAT RISFMNDVAN LCERVGADVS MVRLGIGSDS DATA SEQUENCE RIGSKFLYPG CGYGGSCFPK DVKALIRTAE DNGYRMEVLE AVERVNEKQK DATA SEQUENCE SILFDKFSTY YKGNVQGRCV AIWGLSFKPG TDDMREAPSL VLIEKLLEVG DATA SEQUENCE CRVRVYDPVA MKEAQKRLGD KVEYTTDMYD AVRGAEALFH VTEWKEFRMP DATA SEQUENCE DWSALSQAMA ASLVIDGRNV YELPXXXXFT LLNIG 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 78 S HA 0.000 nan 4.470 nan 0.000 0.327 78 S C 0.000 174.592 174.600 -0.013 0.000 1.055 78 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 78 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 79 L N 1.690 122.899 121.223 -0.023 0.000 2.409 79 L HA 0.576 4.916 4.340 -0.000 0.000 0.262 79 L C -1.653 175.196 176.870 -0.035 0.000 0.992 79 L CA -0.761 54.058 54.840 -0.036 0.000 0.817 79 L CB 2.207 44.224 42.059 -0.069 0.000 1.350 79 L HN 0.574 nan 8.230 nan 0.000 0.411 80 D N 3.470 123.852 120.400 -0.030 0.000 2.303 80 D HA 0.576 5.215 4.640 -0.000 0.000 0.236 80 D C -0.669 175.611 176.300 -0.033 0.000 1.068 80 D CA 0.006 53.989 54.000 -0.027 0.000 0.830 80 D CB 2.383 43.173 40.800 -0.017 0.000 1.109 80 D HN 0.211 nan 8.370 nan 0.000 0.496 81 I N 1.220 121.771 120.570 -0.030 0.000 2.608 81 I HA 0.524 4.694 4.170 -0.000 0.000 0.295 81 I C -0.260 175.873 176.117 0.026 0.000 1.049 81 I CA -0.899 60.397 61.300 -0.007 0.000 1.063 81 I CB 2.122 40.089 38.000 -0.055 0.000 1.248 81 I HN 0.284 nan 8.210 nan 0.000 0.424 82 A N 5.488 128.346 122.820 0.062 0.000 2.350 82 A HA 0.882 5.202 4.320 -0.000 0.000 0.324 82 A C -1.063 176.613 177.584 0.152 0.000 1.118 82 A CA -0.534 51.541 52.037 0.063 0.000 0.783 82 A CB 1.582 20.599 19.000 0.028 0.000 1.236 82 A HN 0.419 nan 8.150 nan 0.000 0.457 83 V N 2.375 122.359 119.914 0.116 0.000 2.577 83 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 83 V C -0.544 175.608 176.094 0.096 0.000 1.042 83 V CA -0.551 61.840 62.300 0.153 0.000 0.872 83 V CB 1.755 33.638 31.823 0.100 0.000 0.998 83 V HN 0.676 nan 8.190 nan 0.000 0.423 84 V N 3.517 123.492 119.914 0.102 0.000 2.383 84 V HA 0.943 5.063 4.120 -0.000 0.000 0.275 84 V C 0.604 176.730 176.094 0.054 0.000 1.036 84 V CA 0.285 62.627 62.300 0.070 0.000 0.889 84 V CB 0.685 32.545 31.823 0.061 0.000 0.985 84 V HN 1.323 nan 8.190 nan 0.000 0.459 85 G N 4.329 113.153 108.800 0.040 0.000 2.764 85 G HA2 0.019 3.979 3.960 -0.000 0.000 0.678 85 G HA3 0.019 3.979 3.960 -0.000 0.000 0.678 85 G C -0.539 174.367 174.900 0.011 0.000 1.341 85 G CA -0.332 44.772 45.100 0.007 0.000 0.836 85 G HN 1.290 nan 8.290 nan 0.000 0.632 86 I N 0.166 120.733 120.570 -0.005 0.000 3.936 86 I HA 0.516 4.686 4.170 -0.000 0.000 0.330 86 I C 1.030 177.130 176.117 -0.028 0.000 1.509 86 I CA -0.003 61.298 61.300 0.003 0.000 1.126 86 I CB 0.223 38.225 38.000 0.004 0.000 1.115 86 I HN 0.745 nan 8.210 nan 0.000 0.424 87 G N 1.505 110.265 108.800 -0.067 0.000 2.647 87 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.271 87 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.271 87 G C 0.559 175.417 174.900 -0.070 0.000 1.300 87 G CA 0.317 45.363 45.100 -0.091 0.000 0.997 87 G HN 0.561 nan 8.290 nan 0.000 0.533 88 Y N -1.774 118.511 120.300 -0.025 0.000 2.224 88 Y HA -0.053 4.497 4.550 -0.000 0.000 0.289 88 Y C 2.450 178.317 175.900 -0.055 0.000 1.146 88 Y CA 1.281 59.364 58.100 -0.029 0.000 1.182 88 Y CB -1.056 37.402 38.460 -0.004 0.000 0.983 88 Y HN 0.056 nan 8.280 nan 0.000 0.524 89 V N 1.511 121.180 119.914 -0.409 0.000 2.255 89 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 89 V C 2.740 178.726 176.094 -0.179 0.000 1.051 89 V CA 2.193 64.337 62.300 -0.260 0.000 1.018 89 V CB -1.466 30.159 31.823 -0.329 0.000 0.641 89 V HN 0.672 nan 8.190 nan 0.000 0.445 90 G N -0.552 108.159 108.800 -0.148 0.000 2.402 90 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 90 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 90 G C 1.568 176.417 174.900 -0.085 0.000 1.162 90 G CA 1.063 46.109 45.100 -0.090 0.000 0.777 90 G HN 0.399 nan 8.290 nan 0.000 0.539 91 L N 0.741 121.934 121.223 -0.050 0.000 2.027 91 L HA 0.067 4.406 4.340 -0.000 0.000 0.206 91 L C 2.932 179.748 176.870 -0.089 0.000 1.074 91 L CA 1.308 56.149 54.840 0.002 0.000 0.745 91 L CB -0.539 41.540 42.059 0.033 0.000 0.898 91 L HN 0.084 nan 8.230 nan 0.000 0.433 92 V N -0.973 118.853 119.914 -0.146 0.000 2.307 92 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 92 V C 2.544 178.271 176.094 -0.611 0.000 1.045 92 V CA 1.797 63.939 62.300 -0.263 0.000 1.024 92 V CB -0.687 31.039 31.823 -0.161 0.000 0.651 92 V HN 0.485 nan 8.190 nan 0.000 0.449 93 S N 0.509 115.774 115.700 -0.726 0.000 2.359 93 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 93 S C 2.242 176.354 174.600 -0.814 0.000 1.035 93 S CA 1.540 59.027 58.200 -1.188 0.000 1.018 93 S CB -0.608 62.181 63.200 -0.685 0.000 0.876 93 S HN 0.651 nan 8.310 nan 0.000 0.448 94 A N 1.334 123.945 122.820 -0.349 0.000 1.902 94 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 94 A C 2.346 179.832 177.584 -0.163 0.000 1.181 94 A CA 2.099 54.055 52.037 -0.136 0.000 0.623 94 A CB -1.348 17.596 19.000 -0.094 0.000 0.818 94 A HN 0.491 nan 8.150 nan 0.000 0.443 95 T N -1.004 113.427 114.554 -0.204 0.000 2.777 95 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 95 T C 1.894 176.495 174.700 -0.165 0.000 1.040 95 T CA 1.514 63.530 62.100 -0.140 0.000 1.141 95 T CB -0.597 68.222 68.868 -0.082 0.000 0.868 95 T HN 0.568 nan 8.240 nan 0.000 0.444 96 C N 0.714 119.813 119.300 -0.336 0.000 2.440 96 C HA 0.053 4.513 4.460 -0.000 0.000 0.278 96 C C 2.373 177.294 174.990 -0.115 0.000 1.295 96 C CA -0.060 58.795 59.018 -0.271 0.000 1.738 96 C CB -1.472 25.990 27.740 -0.464 0.000 1.987 96 C HN 0.455 nan 8.230 nan 0.000 0.492 97 F N 1.961 121.853 119.950 -0.096 0.000 2.171 97 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 97 F C 2.520 178.299 175.800 -0.035 0.000 1.090 97 F CA 1.257 59.236 58.000 -0.034 0.000 1.293 97 F CB -1.329 37.625 39.000 -0.076 0.000 1.013 97 F HN 0.186 nan 8.300 nan 0.000 0.486 98 A N -0.307 122.580 122.820 0.112 0.000 1.902 98 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 98 A C 2.118 179.726 177.584 0.040 0.000 1.181 98 A CA 1.810 53.873 52.037 0.043 0.000 0.623 98 A CB -0.831 18.157 19.000 -0.020 0.000 0.818 98 A HN 0.321 nan 8.150 nan 0.000 0.443 99 E N 0.049 120.267 120.200 0.031 0.000 2.153 99 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 99 E C 1.518 178.153 176.600 0.058 0.000 0.988 99 E CA 1.026 57.445 56.400 0.033 0.000 0.811 99 E CB -0.374 29.338 29.700 0.021 0.000 0.746 99 E HN 0.597 nan 8.360 nan 0.000 0.466 100 L N -1.387 119.893 121.223 0.094 0.000 2.599 100 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 100 L C 1.467 178.390 176.870 0.089 0.000 1.141 100 L CA 0.519 55.427 54.840 0.113 0.000 0.877 100 L CB 0.171 42.338 42.059 0.181 0.000 1.009 100 L HN 0.437 nan 8.230 nan 0.000 0.447 101 G N -0.918 107.924 108.800 0.069 0.000 2.192 101 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 101 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 101 G C 0.329 175.251 174.900 0.036 0.000 0.999 101 G CA -0.191 44.936 45.100 0.046 0.000 0.659 101 G HN 0.423 nan 8.290 nan 0.000 0.503 102 A N 0.097 122.946 122.820 0.049 0.000 2.304 102 A HA 0.649 4.969 4.320 -0.000 0.000 0.271 102 A C 0.293 177.882 177.584 0.009 0.000 1.091 102 A CA -0.293 51.756 52.037 0.021 0.000 0.812 102 A CB 0.318 19.323 19.000 0.009 0.000 1.056 102 A HN 0.282 nan 8.150 nan 0.000 0.489 103 N N 0.471 119.166 118.700 -0.009 0.000 2.422 103 N HA 0.419 5.159 4.740 -0.000 0.000 0.264 103 N C -1.113 174.380 175.510 -0.029 0.000 1.063 103 N CA 0.061 53.099 53.050 -0.020 0.000 0.959 103 N CB 1.466 39.941 38.487 -0.020 0.000 1.087 103 N HN 0.311 nan 8.380 nan 0.000 0.483 104 V N 2.293 122.179 119.914 -0.047 0.000 2.656 104 V HA 0.430 4.550 4.120 -0.000 0.000 0.307 104 V C 0.032 176.057 176.094 -0.114 0.000 1.051 104 V CA -0.885 61.380 62.300 -0.057 0.000 0.893 104 V CB 2.314 34.112 31.823 -0.041 0.000 0.999 104 V HN 0.542 nan 8.190 nan 0.000 0.426 105 R N 2.849 123.295 120.500 -0.090 0.000 2.437 105 R HA 0.670 5.010 4.340 -0.000 0.000 0.310 105 R C -1.092 175.147 176.300 -0.103 0.000 0.955 105 R CA -0.093 55.937 56.100 -0.116 0.000 0.851 105 R CB 1.230 31.496 30.300 -0.056 0.000 1.161 105 R HN 0.823 nan 8.270 nan 0.000 0.446 106 C N 7.030 126.221 119.300 -0.182 0.000 2.298 106 C HA 0.690 5.150 4.460 -0.000 0.000 0.323 106 C C -0.824 174.213 174.990 0.079 0.000 1.284 106 C CA -0.672 58.308 59.018 -0.062 0.000 1.577 106 C CB -0.605 27.055 27.740 -0.134 0.000 2.249 106 C HN 0.857 nan 8.230 nan 0.000 0.497 107 I N 5.118 125.739 120.570 0.085 0.000 2.474 107 I HA 0.618 4.787 4.170 -0.000 0.000 0.294 107 I C -0.335 175.831 176.117 0.083 0.000 1.005 107 I CA 0.255 61.606 61.300 0.086 0.000 1.113 107 I CB 1.887 39.918 38.000 0.052 0.000 1.289 107 I HN 0.678 nan 8.210 nan 0.000 0.436 108 D N 0.790 121.235 120.400 0.075 0.000 2.609 108 D HA 0.304 4.943 4.640 -0.000 0.000 0.239 108 D C 0.653 176.976 176.300 0.038 0.000 1.229 108 D CA -0.340 53.689 54.000 0.048 0.000 0.808 108 D CB 1.679 42.501 40.800 0.036 0.000 1.448 108 D HN 0.630 nan 8.370 nan 0.000 0.433 109 T N -1.202 113.372 114.554 0.033 0.000 2.995 109 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 109 T C 0.719 175.431 174.700 0.021 0.000 1.091 109 T CA 0.355 62.475 62.100 0.033 0.000 1.128 109 T CB -0.086 68.810 68.868 0.047 0.000 0.891 109 T HN 0.267 nan 8.240 nan 0.000 0.492 110 D N 1.665 122.070 120.400 0.010 0.000 2.402 110 D HA 0.382 5.022 4.640 -0.000 0.000 0.235 110 D C 1.486 177.782 176.300 -0.007 0.000 1.226 110 D CA -0.031 53.967 54.000 -0.002 0.000 0.918 110 D CB 0.850 41.641 40.800 -0.016 0.000 1.043 110 D HN 0.367 nan 8.370 nan 0.000 0.506 111 R N 3.785 124.284 120.500 -0.001 0.000 2.096 111 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 111 R C 1.822 178.112 176.300 -0.016 0.000 1.127 111 R CA 1.627 57.726 56.100 -0.002 0.000 0.968 111 R CB -1.426 28.876 30.300 0.003 0.000 0.861 111 R HN 0.488 nan 8.270 nan 0.000 0.440 112 N N 0.517 119.205 118.700 -0.020 0.000 2.043 112 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 112 N C 1.771 177.250 175.510 -0.052 0.000 1.037 112 N CA 2.119 55.151 53.050 -0.030 0.000 0.851 112 N CB -0.241 38.231 38.487 -0.025 0.000 1.027 112 N HN 0.607 nan 8.380 nan 0.000 0.422 113 K N -0.118 120.246 120.400 -0.060 0.000 2.057 113 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 113 K C 1.960 178.474 176.600 -0.145 0.000 1.050 113 K CA 0.642 56.871 56.287 -0.096 0.000 0.935 113 K CB -0.052 32.396 32.500 -0.086 0.000 0.715 113 K HN 0.152 nan 8.250 nan 0.000 0.439 114 I N 1.904 122.412 120.570 -0.104 0.000 2.151 114 I HA -0.281 3.888 4.170 -0.000 0.000 0.243 114 I C 2.787 178.836 176.117 -0.113 0.000 1.080 114 I CA 2.132 63.370 61.300 -0.104 0.000 1.339 114 I CB -1.535 36.470 38.000 0.007 0.000 1.039 114 I HN 0.364 nan 8.210 nan 0.000 0.409 115 E N 0.496 120.656 120.200 -0.067 0.000 2.077 115 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 115 E C 2.036 178.586 176.600 -0.084 0.000 0.989 115 E CA 1.408 57.779 56.400 -0.049 0.000 0.800 115 E CB -0.852 28.831 29.700 -0.028 0.000 0.746 115 E HN 0.661 nan 8.360 nan 0.000 0.452 116 Q N -0.628 119.105 119.800 -0.111 0.000 2.167 116 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 116 Q C 2.475 178.361 176.000 -0.189 0.000 0.970 116 Q CA 1.253 56.981 55.803 -0.125 0.000 0.855 116 Q CB -0.148 28.520 28.738 -0.116 0.000 0.911 116 Q HN 0.545 nan 8.270 nan 0.000 0.438 117 L N 0.448 121.480 121.223 -0.319 0.000 2.027 117 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 117 L C 2.028 178.663 176.870 -0.391 0.000 1.074 117 L CA 0.688 55.203 54.840 -0.541 0.000 0.745 117 L CB -0.386 40.991 42.059 -1.136 0.000 0.898 117 L HN 0.248 nan 8.230 nan 0.000 0.433 118 N N -0.364 118.193 118.700 -0.237 0.000 2.094 118 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 118 N C 1.943 177.457 175.510 0.007 0.000 1.023 118 N CA 1.744 54.816 53.050 0.037 0.000 0.857 118 N CB -0.177 38.356 38.487 0.077 0.000 1.013 118 N HN 0.182 nan 8.380 nan 0.000 0.426 119 S N -1.175 114.499 115.700 -0.042 0.000 2.470 119 S HA 0.182 4.652 4.470 -0.000 0.000 0.225 119 S C 1.235 175.812 174.600 -0.038 0.000 1.006 119 S CA 0.633 58.816 58.200 -0.030 0.000 0.934 119 S CB 0.306 63.486 63.200 -0.034 0.000 0.778 119 S HN 0.593 nan 8.310 nan 0.000 0.517 120 G N 1.441 110.202 108.800 -0.065 0.000 2.149 120 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 120 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 120 G C 0.515 175.372 174.900 -0.071 0.000 1.018 120 G CA 0.597 45.658 45.100 -0.065 0.000 0.728 120 G HN 0.515 nan 8.290 nan 0.000 0.508 121 T N -0.710 113.796 114.554 -0.080 0.000 3.176 121 T HA 0.563 4.913 4.350 -0.000 0.000 0.263 121 T C 0.673 175.321 174.700 -0.087 0.000 1.021 121 T CA 0.310 62.367 62.100 -0.072 0.000 0.905 121 T CB -0.267 68.567 68.868 -0.056 0.000 1.057 121 T HN 0.773 nan 8.240 nan 0.000 0.558 122 I N 2.471 122.972 120.570 -0.115 0.000 2.433 122 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 122 I C -2.543 173.469 176.117 -0.175 0.000 1.001 122 I CA -2.936 58.287 61.300 -0.129 0.000 1.119 122 I CB 2.083 39.999 38.000 -0.140 0.000 1.289 122 I HN -0.013 nan 8.210 nan 0.000 0.438 123 P HA 0.326 nan 4.420 nan 0.000 0.271 123 P C -1.118 175.821 177.300 -0.601 0.000 1.220 123 P CA 0.200 63.075 63.100 -0.376 0.000 0.768 123 P CB 0.445 31.972 31.700 -0.288 0.000 0.848 124 I N 3.409 123.579 120.570 -0.666 0.000 2.468 124 I HA 0.193 4.363 4.170 -0.000 0.000 0.285 124 I C -0.039 175.752 176.117 -0.543 0.000 1.039 124 I CA -0.521 60.465 61.300 -0.522 0.000 1.074 124 I CB 1.759 39.614 38.000 -0.242 0.000 1.228 124 I HN 0.377 nan 8.210 nan 0.000 0.436 125 Y N 1.966 122.268 120.300 0.003 0.000 2.458 125 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 125 Y C 1.036 176.943 175.900 0.012 0.000 1.120 125 Y CA -0.488 57.623 58.100 0.018 0.000 1.282 125 Y CB -0.031 38.456 38.460 0.045 0.000 1.109 125 Y HN 0.442 nan 8.280 nan 0.000 0.526 126 E N 3.496 123.747 120.200 0.084 0.000 2.406 126 E HA 0.067 4.417 4.350 -0.000 0.000 0.258 126 E C -2.620 173.993 176.600 0.021 0.000 1.043 126 E CA -2.371 54.050 56.400 0.035 0.000 0.929 126 E CB 0.252 29.960 29.700 0.013 0.000 0.969 126 E HN 0.025 nan 8.360 nan 0.000 0.462 127 P HA 0.050 nan 4.420 nan 0.000 0.261 127 P C 0.619 177.922 177.300 0.006 0.000 1.183 127 P CA 1.180 64.290 63.100 0.017 0.000 0.761 127 P CB 0.673 32.379 31.700 0.010 0.000 0.785 128 G N 2.381 111.183 108.800 0.003 0.000 2.245 128 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.264 128 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.264 128 G C 0.727 175.622 174.900 -0.009 0.000 0.985 128 G CA 0.397 45.496 45.100 -0.001 0.000 0.625 128 G HN 0.547 nan 8.290 nan 0.000 0.536 129 L N 1.028 122.242 121.223 -0.014 0.000 2.072 129 L HA 0.271 4.611 4.340 -0.000 0.000 0.205 129 L C 2.476 179.332 176.870 -0.023 0.000 1.079 129 L CA 2.935 57.763 54.840 -0.020 0.000 0.752 129 L CB -0.567 41.479 42.059 -0.021 0.000 0.906 129 L HN 0.488 nan 8.230 nan 0.000 0.436 130 E N -0.412 119.764 120.200 -0.040 0.000 2.049 130 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 130 E C 2.136 178.723 176.600 -0.023 0.000 1.007 130 E CA 1.719 58.090 56.400 -0.047 0.000 0.809 130 E CB -0.033 29.623 29.700 -0.072 0.000 0.749 130 E HN 0.476 nan 8.360 nan 0.000 0.450 131 K N -0.068 120.322 120.400 -0.017 0.000 2.097 131 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 131 K C 2.227 178.829 176.600 0.003 0.000 1.050 131 K CA 1.322 57.605 56.287 -0.006 0.000 0.938 131 K CB -0.150 32.347 32.500 -0.005 0.000 0.718 131 K HN 0.270 nan 8.250 nan 0.000 0.442 132 M N 0.861 120.462 119.600 0.002 0.000 2.132 132 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 132 M C 1.901 178.211 176.300 0.018 0.000 1.065 132 M CA 1.468 56.771 55.300 0.005 0.000 1.122 132 M CB 0.006 32.603 32.600 -0.005 0.000 1.365 132 M HN 0.074 nan 8.290 nan 0.000 0.411 133 I N 0.377 120.967 120.570 0.033 0.000 2.163 133 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 133 I C 2.643 178.807 176.117 0.079 0.000 1.085 133 I CA 1.429 62.781 61.300 0.087 0.000 1.347 133 I CB -0.712 37.359 38.000 0.119 0.000 1.044 133 I HN 0.368 nan 8.210 nan 0.000 0.408 134 A N 1.598 124.445 122.820 0.044 0.000 1.877 134 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 134 A C 2.394 179.997 177.584 0.030 0.000 1.186 134 A CA 2.084 54.142 52.037 0.035 0.000 0.620 134 A CB -0.744 18.263 19.000 0.012 0.000 0.822 134 A HN 0.546 nan 8.150 nan 0.000 0.443 135 R N -0.648 119.865 120.500 0.021 0.000 2.115 135 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 135 R C 1.470 177.780 176.300 0.017 0.000 1.111 135 R CA 1.688 57.798 56.100 0.016 0.000 0.976 135 R CB -0.526 29.782 30.300 0.012 0.000 0.870 135 R HN 0.451 nan 8.270 nan 0.000 0.445 136 N N 0.600 119.311 118.700 0.018 0.000 2.376 136 N HA -0.038 4.701 4.740 -0.000 0.000 0.177 136 N C 1.789 177.301 175.510 0.004 0.000 1.024 136 N CA 1.018 54.072 53.050 0.007 0.000 0.893 136 N CB 0.223 38.707 38.487 -0.005 0.000 0.980 136 N HN 0.083 nan 8.380 nan 0.000 0.439 137 V N 1.967 121.900 119.914 0.032 0.000 2.307 137 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 137 V C 2.539 178.650 176.094 0.027 0.000 1.045 137 V CA 1.462 63.788 62.300 0.042 0.000 1.024 137 V CB -0.416 31.473 31.823 0.110 0.000 0.651 137 V HN 0.285 nan 8.190 nan 0.000 0.449 138 K N 0.467 120.882 120.400 0.026 0.000 2.063 138 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 138 K C 2.036 178.643 176.600 0.011 0.000 1.048 138 K CA 1.678 57.975 56.287 0.018 0.000 0.928 138 K CB -0.291 32.218 32.500 0.015 0.000 0.713 138 K HN 0.440 nan 8.250 nan 0.000 0.442 139 A N 0.143 122.968 122.820 0.009 0.000 2.168 139 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 139 A C 1.410 178.995 177.584 0.001 0.000 1.152 139 A CA 1.210 53.250 52.037 0.005 0.000 0.716 139 A CB -0.532 18.471 19.000 0.006 0.000 0.794 139 A HN 0.610 nan 8.150 nan 0.000 0.465 140 G N -1.121 107.678 108.800 -0.002 0.000 2.143 140 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 140 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 140 G C 0.900 175.789 174.900 -0.019 0.000 0.991 140 G CA 0.633 45.728 45.100 -0.009 0.000 0.689 140 G HN 0.559 nan 8.290 nan 0.000 0.522 141 R N -1.431 119.055 120.500 -0.023 0.000 2.265 141 R HA 0.351 4.691 4.340 -0.000 0.000 0.194 141 R C 0.544 176.805 176.300 -0.065 0.000 0.931 141 R CA 0.304 56.386 56.100 -0.030 0.000 1.032 141 R CB 0.361 30.653 30.300 -0.013 0.000 0.980 141 R HN 0.374 nan 8.270 nan 0.000 0.497 142 L N 0.899 122.067 121.223 -0.092 0.000 2.356 142 L HA 0.528 4.868 4.340 -0.000 0.000 0.277 142 L C -0.624 176.097 176.870 -0.247 0.000 0.996 142 L CA -0.391 54.327 54.840 -0.203 0.000 0.822 142 L CB 1.372 43.304 42.059 -0.212 0.000 1.256 142 L HN -0.056 nan 8.230 nan 0.000 0.413 143 R N 3.685 123.984 120.500 -0.335 0.000 2.744 143 R HA 0.815 5.155 4.340 -0.000 0.000 0.279 143 R C -1.781 174.264 176.300 -0.425 0.000 0.977 143 R CA -0.384 55.571 56.100 -0.242 0.000 0.906 143 R CB 1.204 31.444 30.300 -0.099 0.000 1.197 143 R HN 0.516 nan 8.270 nan 0.000 0.463 144 F N 0.321 120.269 119.950 -0.004 0.000 2.480 144 F HA 0.840 5.367 4.527 -0.000 0.000 0.329 144 F C 1.125 176.923 175.800 -0.003 0.000 1.091 144 F CA -0.432 57.565 58.000 -0.005 0.000 0.972 144 F CB 2.968 41.961 39.000 -0.011 0.000 1.150 144 F HN 0.878 nan 8.300 nan 0.000 0.467 145 G N -0.382 108.521 108.800 0.172 0.000 2.708 145 G HA2 0.473 4.433 3.960 -0.000 0.000 0.289 145 G HA3 0.473 4.433 3.960 -0.000 0.000 0.289 145 G C -0.236 174.714 174.900 0.084 0.000 1.416 145 G CA -0.336 44.823 45.100 0.098 0.000 0.829 145 G HN 0.627 nan 8.290 nan 0.000 0.480 146 T N -2.463 112.124 114.554 0.054 0.000 3.010 146 T HA 0.270 4.619 4.350 -0.000 0.000 0.257 146 T C -0.171 174.548 174.700 0.032 0.000 1.020 146 T CA 0.136 62.262 62.100 0.042 0.000 0.938 146 T CB 0.367 69.255 68.868 0.032 0.000 1.049 146 T HN 0.287 nan 8.240 nan 0.000 0.522 147 E N 1.377 121.594 120.200 0.028 0.000 2.121 147 E HA 0.434 4.784 4.350 -0.000 0.000 0.255 147 E C 0.719 177.327 176.600 0.014 0.000 0.906 147 E CA -0.470 55.941 56.400 0.018 0.000 0.745 147 E CB 1.418 31.125 29.700 0.013 0.000 1.155 147 E HN 0.307 nan 8.360 nan 0.000 0.424 148 I N 1.331 121.909 120.570 0.013 0.000 2.145 148 I HA -0.356 3.814 4.170 -0.000 0.000 0.244 148 I C 1.933 178.046 176.117 -0.006 0.000 1.075 148 I CA 1.468 62.771 61.300 0.005 0.000 1.332 148 I CB -0.008 37.993 38.000 0.002 0.000 1.033 148 I HN 0.435 nan 8.210 nan 0.000 0.410 149 E N 0.020 120.215 120.200 -0.007 0.000 2.209 149 E HA -0.311 4.039 4.350 -0.000 0.000 0.196 149 E C 2.043 178.637 176.600 -0.010 0.000 0.993 149 E CA 1.157 57.549 56.400 -0.013 0.000 0.819 149 E CB -0.131 29.562 29.700 -0.012 0.000 0.745 149 E HN 0.491 nan 8.360 nan 0.000 0.477 150 Q N 0.575 120.372 119.800 -0.004 0.000 2.137 150 Q HA -0.016 4.324 4.340 -0.000 0.000 0.198 150 Q C 1.916 177.912 176.000 -0.006 0.000 0.960 150 Q CA 1.352 57.153 55.803 -0.003 0.000 0.847 150 Q CB -0.035 28.704 28.738 0.002 0.000 0.915 150 Q HN 0.217 nan 8.270 nan 0.000 0.448 151 A N -0.674 122.143 122.820 -0.006 0.000 1.970 151 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 151 A C 2.167 179.741 177.584 -0.015 0.000 1.170 151 A CA 1.098 53.130 52.037 -0.008 0.000 0.645 151 A CB -0.563 18.436 19.000 -0.003 0.000 0.816 151 A HN 0.257 nan 8.150 nan 0.000 0.447 152 V N 0.838 120.739 119.914 -0.021 0.000 2.287 152 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 152 V C -0.385 175.690 176.094 -0.031 0.000 1.053 152 V CA 2.527 64.806 62.300 -0.035 0.000 1.027 152 V CB -1.366 30.427 31.823 -0.050 0.000 0.646 152 V HN 0.407 nan 8.190 nan 0.000 0.447 153 P HA -0.074 nan 4.420 nan 0.000 0.230 153 P C 1.259 178.554 177.300 -0.009 0.000 1.158 153 P CA 1.048 64.139 63.100 -0.015 0.000 0.769 153 P CB 0.007 31.700 31.700 -0.010 0.000 0.807 154 E N -0.777 119.416 120.200 -0.011 0.000 2.340 154 E HA 0.166 4.516 4.350 -0.000 0.000 0.194 154 E C 0.720 177.314 176.600 -0.010 0.000 0.996 154 E CA -0.137 56.257 56.400 -0.009 0.000 0.869 154 E CB 0.063 29.756 29.700 -0.011 0.000 0.835 154 E HN 0.124 nan 8.360 nan 0.000 0.493 155 A N 1.091 123.902 122.820 -0.015 0.000 2.310 155 A HA 0.153 4.473 4.320 -0.000 0.000 0.299 155 A C 0.154 177.729 177.584 -0.016 0.000 1.147 155 A CA -0.558 51.468 52.037 -0.019 0.000 0.818 155 A CB 0.614 19.600 19.000 -0.023 0.000 1.096 155 A HN -0.054 nan 8.150 nan 0.000 0.495 156 D N 0.636 121.029 120.400 -0.013 0.000 2.213 156 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 156 D C 0.171 176.458 176.300 -0.023 0.000 0.961 156 D CA 1.481 55.484 54.000 0.006 0.000 0.853 156 D CB 0.213 41.020 40.800 0.011 0.000 0.967 156 D HN 0.541 nan 8.370 nan 0.000 0.496 157 I N 0.659 121.190 120.570 -0.065 0.000 2.619 157 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 157 I C -0.985 175.051 176.117 -0.135 0.000 1.100 157 I CA -0.882 60.331 61.300 -0.145 0.000 1.043 157 I CB 3.330 41.210 38.000 -0.200 0.000 1.239 157 I HN -0.258 nan 8.210 nan 0.000 0.420 158 I N 4.990 125.441 120.570 -0.198 0.000 2.466 158 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 158 I C -1.459 174.545 176.117 -0.188 0.000 1.026 158 I CA -0.382 60.858 61.300 -0.099 0.000 1.078 158 I CB 1.334 39.297 38.000 -0.063 0.000 1.249 158 I HN 0.337 nan 8.210 nan 0.000 0.429 159 F N 7.518 127.482 119.950 0.023 0.000 2.410 159 F HA 0.457 4.984 4.527 -0.000 0.000 0.349 159 F C 0.225 176.050 175.800 0.041 0.000 1.117 159 F CA -0.462 57.572 58.000 0.057 0.000 1.104 159 F CB 1.232 40.302 39.000 0.117 0.000 1.122 159 F HN 0.217 nan 8.300 nan 0.000 0.483 160 I N 3.806 124.483 120.570 0.177 0.000 2.322 160 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 160 I C 0.469 176.666 176.117 0.134 0.000 1.060 160 I CA 0.015 61.387 61.300 0.120 0.000 1.309 160 I CB 0.989 39.035 38.000 0.076 0.000 1.415 160 I HN 0.768 nan 8.210 nan 0.000 0.492 161 A N 6.829 129.708 122.820 0.098 0.000 2.643 161 A HA 0.398 4.718 4.320 -0.000 0.000 0.295 161 A C 0.220 177.795 177.584 -0.016 0.000 1.065 161 A CA -0.348 51.713 52.037 0.040 0.000 0.986 161 A CB -0.095 18.920 19.000 0.024 0.000 1.212 161 A HN 0.512 nan 8.150 nan 0.000 0.516 162 V N -2.173 117.746 119.914 0.008 0.000 3.264 162 V HA 0.736 4.856 4.120 -0.000 0.000 0.304 162 V C 0.867 176.930 176.094 -0.052 0.000 1.086 162 V CA -0.173 62.116 62.300 -0.017 0.000 1.090 162 V CB 0.273 32.124 31.823 0.047 0.000 1.112 162 V HN 0.536 nan 8.190 nan 0.000 0.472 163 G N 0.970 109.695 108.800 -0.126 0.000 2.544 163 G HA2 0.467 4.427 3.960 -0.000 0.000 0.242 163 G HA3 0.467 4.427 3.960 -0.000 0.000 0.242 163 G C 0.281 175.175 174.900 -0.009 0.000 1.247 163 G CA 0.265 45.285 45.100 -0.133 0.000 0.840 163 G HN 1.606 nan 8.290 nan 0.000 0.578 164 T N 0.255 114.819 114.554 0.018 0.000 3.466 164 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 164 T C -2.229 172.524 174.700 0.087 0.000 1.640 164 T CA -1.395 60.761 62.100 0.095 0.000 1.631 164 T CB 1.454 70.379 68.868 0.094 0.000 0.928 164 T HN 0.443 nan 8.240 nan 0.000 0.688 165 P HA 0.387 nan 4.420 nan 0.000 0.273 165 P C 0.087 177.446 177.300 0.098 0.000 1.250 165 P CA -0.398 62.747 63.100 0.076 0.000 0.793 165 P CB 0.553 32.297 31.700 0.073 0.000 1.011 166 A N 1.245 124.115 122.820 0.083 0.000 2.520 166 A HA 0.440 4.760 4.320 -0.000 0.000 0.245 166 A C 1.083 178.714 177.584 0.078 0.000 1.072 166 A CA 0.359 52.446 52.037 0.083 0.000 0.761 166 A CB -0.896 18.148 19.000 0.074 0.000 1.004 166 A HN 0.646 nan 8.150 nan 0.000 0.499 167 G N 0.292 109.135 108.800 0.072 0.000 2.651 167 G HA2 0.446 4.406 3.960 -0.000 0.000 0.260 167 G HA3 0.446 4.406 3.960 -0.000 0.000 0.260 167 G C 0.988 175.916 174.900 0.046 0.000 1.216 167 G CA 0.429 45.563 45.100 0.057 0.000 0.913 167 G HN 1.127 nan 8.290 nan 0.000 0.535 168 E N -1.484 118.737 120.200 0.036 0.000 2.171 168 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 168 E C 1.900 178.517 176.600 0.028 0.000 0.997 168 E CA 2.290 58.707 56.400 0.029 0.000 0.810 168 E CB -1.159 28.554 29.700 0.022 0.000 0.738 168 E HN 0.842 nan 8.360 nan 0.000 0.467 169 D N -1.894 118.522 120.400 0.027 0.000 2.342 169 D HA 0.419 5.059 4.640 -0.000 0.000 0.221 169 D C 1.614 177.933 176.300 0.031 0.000 1.101 169 D CA 0.954 54.969 54.000 0.025 0.000 0.837 169 D CB -0.404 40.407 40.800 0.019 0.000 0.938 169 D HN 1.184 nan 8.370 nan 0.000 0.508 170 G N 0.177 109.001 108.800 0.040 0.000 2.241 170 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 170 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 170 G C 1.045 175.979 174.900 0.057 0.000 0.998 170 G CA 0.770 45.901 45.100 0.050 0.000 0.621 170 G HN 1.538 nan 8.290 nan 0.000 0.519 171 S N 0.530 116.258 115.700 0.046 0.000 2.593 171 S HA 0.690 5.160 4.470 -0.000 0.000 0.269 171 S C 0.752 175.393 174.600 0.069 0.000 1.334 171 S CA 0.443 58.670 58.200 0.046 0.000 1.015 171 S CB 1.718 64.934 63.200 0.028 0.000 0.912 171 S HN 1.944 nan 8.310 nan 0.000 0.541 172 A N 1.332 124.203 122.820 0.086 0.000 2.524 172 A HA 0.225 4.544 4.320 -0.000 0.000 0.250 172 A C 0.294 177.933 177.584 0.092 0.000 1.078 172 A CA -0.260 51.847 52.037 0.117 0.000 0.761 172 A CB -0.382 18.717 19.000 0.166 0.000 1.012 172 A HN 0.838 nan 8.150 nan 0.000 0.500 173 D N 3.067 123.528 120.400 0.102 0.000 2.336 173 D HA 0.189 4.829 4.640 -0.000 0.000 0.249 173 D C 0.669 177.030 176.300 0.101 0.000 1.213 173 D CA -0.160 53.894 54.000 0.090 0.000 0.870 173 D CB 0.375 41.246 40.800 0.118 0.000 1.076 173 D HN 0.361 nan 8.370 nan 0.000 0.483 174 M N 2.527 122.159 119.600 0.054 0.000 2.494 174 M HA -0.044 4.436 4.480 -0.000 0.000 0.232 174 M C 1.847 178.149 176.300 0.003 0.000 1.137 174 M CA 0.150 55.481 55.300 0.052 0.000 1.012 174 M CB -0.621 32.002 32.600 0.039 0.000 1.567 174 M HN 0.465 nan 8.290 nan 0.000 0.486 175 S N 0.095 115.744 115.700 -0.086 0.000 2.382 175 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 175 S C 1.774 176.222 174.600 -0.253 0.000 1.027 175 S CA 1.136 59.198 58.200 -0.231 0.000 0.991 175 S CB -0.616 62.355 63.200 -0.382 0.000 0.823 175 S HN 0.467 nan 8.310 nan 0.000 0.469 176 Y N 1.535 121.842 120.300 0.010 0.000 2.263 176 Y HA 0.108 4.658 4.550 -0.000 0.000 0.292 176 Y C 2.804 178.709 175.900 0.008 0.000 1.130 176 Y CA 0.598 58.703 58.100 0.008 0.000 1.179 176 Y CB -0.845 37.620 38.460 0.007 0.000 0.998 176 Y HN 0.116 nan 8.280 nan 0.000 0.532 177 V N 0.313 120.320 119.914 0.155 0.000 2.295 177 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 177 V C 2.228 178.352 176.094 0.049 0.000 1.049 177 V CA 1.853 64.210 62.300 0.095 0.000 1.024 177 V CB -0.760 31.116 31.823 0.089 0.000 0.648 177 V HN 0.388 nan 8.190 nan 0.000 0.447 178 L N -0.424 120.813 121.223 0.023 0.000 2.141 178 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 178 L C 2.323 179.185 176.870 -0.014 0.000 1.094 178 L CA 1.173 56.011 54.840 -0.003 0.000 0.763 178 L CB -0.734 41.315 42.059 -0.017 0.000 0.908 178 L HN 0.325 nan 8.230 nan 0.000 0.437 179 D N 0.568 120.959 120.400 -0.014 0.000 2.104 179 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 179 D C 2.258 178.561 176.300 0.004 0.000 0.994 179 D CA 1.633 55.627 54.000 -0.011 0.000 0.830 179 D CB -0.063 40.734 40.800 -0.005 0.000 0.959 179 D HN 0.312 nan 8.370 nan 0.000 0.452 180 A N 0.998 123.833 122.820 0.025 0.000 1.902 180 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 180 A C 2.326 179.901 177.584 -0.014 0.000 1.181 180 A CA 2.426 54.474 52.037 0.017 0.000 0.623 180 A CB -0.802 18.221 19.000 0.038 0.000 0.818 180 A HN 0.244 nan 8.150 nan 0.000 0.443 181 A N -0.111 122.698 122.820 -0.020 0.000 1.877 181 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 181 A C 2.245 179.784 177.584 -0.076 0.000 1.186 181 A CA 1.589 53.594 52.037 -0.053 0.000 0.620 181 A CB -0.521 18.457 19.000 -0.037 0.000 0.822 181 A HN 0.559 nan 8.150 nan 0.000 0.443 182 R N -0.251 120.217 120.500 -0.054 0.000 2.091 182 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 182 R C 2.502 178.768 176.300 -0.057 0.000 1.136 182 R CA 1.591 57.657 56.100 -0.056 0.000 0.959 182 R CB -0.484 29.792 30.300 -0.040 0.000 0.856 182 R HN 0.504 nan 8.270 nan 0.000 0.437 183 S N 0.996 116.670 115.700 -0.044 0.000 2.382 183 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 183 S C 1.986 176.551 174.600 -0.059 0.000 1.027 183 S CA 1.068 59.245 58.200 -0.039 0.000 0.991 183 S CB -0.171 63.017 63.200 -0.020 0.000 0.823 183 S HN 0.215 nan 8.310 nan 0.000 0.469 184 I N 1.364 121.886 120.570 -0.080 0.000 2.179 184 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 184 I C 2.735 178.762 176.117 -0.150 0.000 1.088 184 I CA 1.258 62.489 61.300 -0.115 0.000 1.357 184 I CB -0.881 37.033 38.000 -0.142 0.000 1.051 184 I HN 0.371 nan 8.210 nan 0.000 0.409 185 G N 0.586 109.283 108.800 -0.172 0.000 2.450 185 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.220 185 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.220 185 G C 1.805 176.641 174.900 -0.107 0.000 1.130 185 G CA 0.455 45.448 45.100 -0.178 0.000 0.760 185 G HN 0.319 nan 8.290 nan 0.000 0.557 186 R N 0.132 120.585 120.500 -0.078 0.000 2.148 186 R HA 0.156 4.496 4.340 -0.000 0.000 0.223 186 R C 2.563 178.835 176.300 -0.046 0.000 1.088 186 R CA 1.016 57.085 56.100 -0.052 0.000 0.985 186 R CB -0.071 30.206 30.300 -0.039 0.000 0.880 186 R HN 0.357 nan 8.270 nan 0.000 0.451 187 A N 0.021 122.809 122.820 -0.055 0.000 2.288 187 A HA 0.225 4.545 4.320 -0.000 0.000 0.216 187 A C 0.758 178.313 177.584 -0.048 0.000 1.199 187 A CA -0.345 51.666 52.037 -0.044 0.000 0.891 187 A CB 0.166 19.143 19.000 -0.039 0.000 0.923 187 A HN 0.088 nan 8.150 nan 0.000 0.500 188 M N 1.163 120.721 119.600 -0.069 0.000 2.251 188 M HA 0.010 4.490 4.480 -0.000 0.000 0.343 188 M C 1.279 177.559 176.300 -0.034 0.000 1.245 188 M CA 0.681 55.939 55.300 -0.069 0.000 1.061 188 M CB 0.804 33.340 32.600 -0.107 0.000 1.723 188 M HN 0.459 nan 8.290 nan 0.000 0.449 189 S N 2.857 118.546 115.700 -0.019 0.000 2.589 189 S HA 0.274 4.744 4.470 -0.000 0.000 0.235 189 S C 0.186 174.798 174.600 0.020 0.000 1.051 189 S CA -0.649 57.551 58.200 0.000 0.000 0.978 189 S CB 0.519 63.719 63.200 -0.000 0.000 0.929 189 S HN 0.836 nan 8.310 nan 0.000 0.523 190 R N -0.905 119.613 120.500 0.029 0.000 2.752 190 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 190 R C -1.452 174.903 176.300 0.091 0.000 1.024 190 R CA -1.007 55.135 56.100 0.070 0.000 0.866 190 R CB -0.017 30.325 30.300 0.070 0.000 1.278 190 R HN 0.078 nan 8.270 nan 0.000 0.473 191 Y N 1.721 122.045 120.300 0.040 0.000 2.895 191 Y HA 0.232 4.782 4.550 -0.000 0.000 0.334 191 Y C -0.158 175.769 175.900 0.045 0.000 1.261 191 Y CA 0.845 58.979 58.100 0.057 0.000 1.560 191 Y CB 0.407 38.889 38.460 0.035 0.000 1.253 191 Y HN 0.550 nan 8.280 nan 0.000 0.582 192 I N 6.944 127.073 120.570 -0.736 0.000 2.913 192 I HA 0.329 4.499 4.170 -0.000 0.000 0.302 192 I C -2.014 173.698 176.117 -0.675 0.000 1.246 192 I CA -1.369 59.639 61.300 -0.487 0.000 1.010 192 I CB 1.681 39.548 38.000 -0.222 0.000 1.259 192 I HN 0.655 nan 8.210 nan 0.000 0.434 193 L N 7.406 128.435 121.223 -0.324 0.000 2.264 193 L HA 0.584 4.923 4.340 -0.000 0.000 0.289 193 L C -1.283 175.480 176.870 -0.178 0.000 1.044 193 L CA 0.120 54.850 54.840 -0.182 0.000 0.807 193 L CB 1.083 43.121 42.059 -0.035 0.000 1.192 193 L HN 0.405 nan 8.230 nan 0.000 0.425 194 I N 6.070 126.571 120.570 -0.114 0.000 2.312 194 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 194 I C -0.533 175.514 176.117 -0.117 0.000 1.008 194 I CA -0.213 61.013 61.300 -0.124 0.000 1.226 194 I CB 1.564 39.520 38.000 -0.074 0.000 1.371 194 I HN 0.270 nan 8.210 nan 0.000 0.468 195 V N 5.178 124.946 119.914 -0.243 0.000 2.384 195 V HA 0.371 4.490 4.120 -0.000 0.000 0.287 195 V C 0.156 176.236 176.094 -0.024 0.000 1.020 195 V CA -0.596 61.584 62.300 -0.199 0.000 0.850 195 V CB 1.596 33.092 31.823 -0.546 0.000 0.987 195 V HN 0.683 nan 8.190 nan 0.000 0.436 196 T N 4.993 119.586 114.554 0.065 0.000 2.727 196 T HA 0.213 4.563 4.350 -0.000 0.000 0.298 196 T C 0.873 175.656 174.700 0.139 0.000 0.942 196 T CA -0.234 61.930 62.100 0.107 0.000 0.997 196 T CB 0.962 69.890 68.868 0.100 0.000 0.917 196 T HN 0.769 nan 8.240 nan 0.000 0.487 197 K N 2.298 122.807 120.400 0.182 0.000 2.334 197 K HA 0.177 4.497 4.320 -0.000 0.000 0.195 197 K C 0.830 177.446 176.600 0.026 0.000 1.045 197 K CA 0.018 56.390 56.287 0.142 0.000 1.004 197 K CB 0.393 33.036 32.500 0.240 0.000 0.837 197 K HN 0.451 nan 8.250 nan 0.000 0.510 198 S N 1.305 117.026 115.700 0.035 0.000 2.559 198 S HA -0.021 4.448 4.470 -0.000 0.000 0.282 198 S C -0.196 174.394 174.600 -0.017 0.000 1.336 198 S CA 0.052 58.249 58.200 -0.004 0.000 1.037 198 S CB 1.046 64.265 63.200 0.031 0.000 0.853 198 S HN 0.204 nan 8.310 nan 0.000 0.523 199 T N 3.148 117.669 114.554 -0.055 0.000 2.727 199 T HA 0.425 4.774 4.350 -0.000 0.000 0.295 199 T C 0.027 174.758 174.700 0.053 0.000 0.915 199 T CA -0.497 61.548 62.100 -0.092 0.000 1.066 199 T CB -0.419 68.313 68.868 -0.227 0.000 0.891 199 T HN 0.530 nan 8.240 nan 0.000 0.516 200 V N 2.500 122.511 119.914 0.161 0.000 2.789 200 V HA 0.706 4.826 4.120 -0.000 0.000 0.311 200 V C -2.978 173.356 176.094 0.400 0.000 1.073 200 V CA -3.340 59.112 62.300 0.254 0.000 0.921 200 V CB 1.733 33.656 31.823 0.166 0.000 1.009 200 V HN 0.388 nan 8.190 nan 0.000 0.426 201 P HA 0.153 nan 4.420 nan 0.000 0.268 201 P C -0.061 177.301 177.300 0.103 0.000 1.208 201 P CA -0.034 63.106 63.100 0.067 0.000 0.777 201 P CB 0.446 32.121 31.700 -0.040 0.000 0.875 202 V N 2.281 122.222 119.914 0.045 0.000 2.644 202 V HA 0.196 4.316 4.120 -0.000 0.000 0.305 202 V C 1.705 177.866 176.094 0.111 0.000 1.053 202 V CA 2.142 64.506 62.300 0.107 0.000 1.186 202 V CB -0.562 31.300 31.823 0.064 0.000 0.895 202 V HN 1.057 nan 8.190 nan 0.000 0.490 203 G N 3.765 112.691 108.800 0.210 0.000 2.213 203 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.226 203 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.226 203 G C 1.087 175.960 174.900 -0.045 0.000 0.992 203 G CA 0.452 45.594 45.100 0.070 0.000 0.632 203 G HN 0.685 nan 8.290 nan 0.000 0.511 204 S N 0.152 115.913 115.700 0.103 0.000 2.400 204 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 204 S C 1.964 176.604 174.600 0.066 0.000 1.025 204 S CA 2.080 60.325 58.200 0.076 0.000 0.993 204 S CB -0.515 62.763 63.200 0.130 0.000 0.808 204 S HN 1.035 nan 8.310 nan 0.000 0.478 205 Y N 1.608 121.942 120.300 0.057 0.000 2.274 205 Y HA -0.037 4.513 4.550 -0.000 0.000 0.290 205 Y C 2.047 177.983 175.900 0.060 0.000 1.145 205 Y CA 0.887 59.023 58.100 0.061 0.000 1.203 205 Y CB -0.536 37.962 38.460 0.063 0.000 0.984 205 Y HN 0.044 nan 8.280 nan 0.000 0.533 206 R N 0.884 120.934 120.500 -0.750 0.000 2.075 206 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 206 R C 2.263 178.453 176.300 -0.183 0.000 1.126 206 R CA 1.688 57.486 56.100 -0.504 0.000 0.963 206 R CB -0.490 29.473 30.300 -0.562 0.000 0.858 206 R HN 0.417 nan 8.270 nan 0.000 0.435 207 L N 0.498 121.641 121.223 -0.134 0.000 2.083 207 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 207 L C 2.406 179.266 176.870 -0.016 0.000 1.083 207 L CA 1.242 56.048 54.840 -0.056 0.000 0.752 207 L CB -0.470 41.566 42.059 -0.038 0.000 0.899 207 L HN 0.166 nan 8.230 nan 0.000 0.433 208 I N -0.356 120.219 120.570 0.009 0.000 2.202 208 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 208 I C 2.864 179.012 176.117 0.051 0.000 1.091 208 I CA 1.196 62.517 61.300 0.034 0.000 1.368 208 I CB -0.313 37.730 38.000 0.071 0.000 1.058 208 I HN 0.188 nan 8.210 nan 0.000 0.410 209 R N 1.301 121.863 120.500 0.104 0.000 2.091 209 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 209 R C 2.403 178.794 176.300 0.152 0.000 1.136 209 R CA 1.667 57.893 56.100 0.209 0.000 0.959 209 R CB -0.161 30.270 30.300 0.218 0.000 0.856 209 R HN 0.191 nan 8.270 nan 0.000 0.437 210 K N -0.257 120.182 120.400 0.064 0.000 2.097 210 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 210 K C 1.840 178.453 176.600 0.022 0.000 1.049 210 K CA 1.418 57.729 56.287 0.040 0.000 0.933 210 K CB -0.109 32.392 32.500 0.002 0.000 0.717 210 K HN 0.267 nan 8.250 nan 0.000 0.442 211 A N 1.255 124.075 122.820 0.000 0.000 1.930 211 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 211 A C 2.063 179.617 177.584 -0.050 0.000 1.175 211 A CA 1.158 53.181 52.037 -0.023 0.000 0.627 211 A CB -0.408 18.576 19.000 -0.028 0.000 0.815 211 A HN 0.307 nan 8.150 nan 0.000 0.443 212 I N -1.017 119.502 120.570 -0.085 0.000 2.202 212 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 212 I C 2.752 178.784 176.117 -0.142 0.000 1.091 212 I CA 1.726 62.899 61.300 -0.212 0.000 1.368 212 I CB -0.263 37.444 38.000 -0.488 0.000 1.058 212 I HN 0.347 nan 8.210 nan 0.000 0.410 213 Q N 1.225 121.026 119.800 0.003 0.000 2.124 213 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 213 Q C 1.925 177.951 176.000 0.043 0.000 0.977 213 Q CA 1.701 57.568 55.803 0.107 0.000 0.850 213 Q CB -0.119 28.740 28.738 0.202 0.000 0.901 213 Q HN 0.441 nan 8.270 nan 0.000 0.429 214 E N -0.331 119.879 120.200 0.017 0.000 2.118 214 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 214 E C 1.820 178.415 176.600 -0.008 0.000 0.992 214 E CA 1.159 57.562 56.400 0.004 0.000 0.804 214 E CB 0.029 29.727 29.700 -0.003 0.000 0.741 214 E HN 0.367 nan 8.360 nan 0.000 0.458 215 E N 0.537 120.721 120.200 -0.027 0.000 2.106 215 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 215 E C 2.247 178.830 176.600 -0.028 0.000 0.984 215 E CA 0.617 56.996 56.400 -0.035 0.000 0.806 215 E CB -0.131 29.534 29.700 -0.058 0.000 0.750 215 E HN 0.337 nan 8.360 nan 0.000 0.458 216 L N 1.126 122.335 121.223 -0.024 0.000 2.056 216 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 216 L C 2.019 178.896 176.870 0.013 0.000 1.078 216 L CA 1.120 55.959 54.840 -0.002 0.000 0.749 216 L CB -0.407 41.670 42.059 0.030 0.000 0.901 216 L HN -0.015 nan 8.230 nan 0.000 0.433 217 D N 0.380 120.791 120.400 0.018 0.000 2.097 217 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 217 D C 2.181 178.486 176.300 0.008 0.000 0.989 217 D CA 1.142 55.152 54.000 0.018 0.000 0.827 217 D CB -0.126 40.686 40.800 0.019 0.000 0.966 217 D HN 0.232 nan 8.370 nan 0.000 0.456 218 K N 0.392 120.793 120.400 0.002 0.000 2.103 218 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 218 K C 2.087 178.686 176.600 -0.002 0.000 1.048 218 K CA 0.828 57.114 56.287 -0.002 0.000 0.930 218 K CB -0.075 32.420 32.500 -0.007 0.000 0.716 218 K HN 0.102 nan 8.250 nan 0.000 0.444 219 R N 0.824 121.323 120.500 -0.002 0.000 2.275 219 R HA -0.014 4.326 4.340 -0.000 0.000 0.199 219 R C -0.126 176.176 176.300 0.003 0.000 0.989 219 R CA 0.218 56.317 56.100 -0.002 0.000 1.016 219 R CB 0.053 30.349 30.300 -0.005 0.000 0.918 219 R HN 0.247 nan 8.270 nan 0.000 0.473 220 E N -0.004 120.200 120.200 0.007 0.000 2.360 220 E HA -0.162 4.187 4.350 -0.000 0.000 0.238 220 E C -0.556 176.053 176.600 0.014 0.000 1.186 220 E CA 0.585 56.992 56.400 0.011 0.000 0.719 220 E CB -1.788 27.917 29.700 0.008 0.000 1.236 220 E HN 0.250 nan 8.360 nan 0.000 0.386 221 V N -2.731 117.194 119.914 0.018 0.000 2.881 221 V HA 0.717 4.837 4.120 -0.000 0.000 0.316 221 V C 0.155 176.271 176.094 0.036 0.000 1.070 221 V CA -1.109 61.205 62.300 0.023 0.000 0.976 221 V CB 2.036 33.870 31.823 0.019 0.000 1.038 221 V HN 0.195 nan 8.190 nan 0.000 0.446 222 L N 4.104 125.351 121.223 0.041 0.000 2.384 222 L HA 0.598 4.938 4.340 -0.000 0.000 0.261 222 L C -0.856 176.054 176.870 0.068 0.000 1.024 222 L CA 0.044 54.916 54.840 0.052 0.000 0.899 222 L CB 0.851 42.933 42.059 0.038 0.000 1.243 222 L HN 0.574 nan 8.230 nan 0.000 0.449 223 I N 0.759 121.388 120.570 0.098 0.000 2.466 223 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 223 I C -0.414 175.819 176.117 0.192 0.000 1.026 223 I CA -0.661 60.712 61.300 0.122 0.000 1.078 223 I CB 2.339 40.396 38.000 0.095 0.000 1.249 223 I HN 0.313 nan 8.210 nan 0.000 0.429 224 D N 5.897 126.412 120.400 0.192 0.000 2.339 224 D HA 0.545 5.185 4.640 -0.000 0.000 0.245 224 D C -0.961 175.499 176.300 0.267 0.000 1.115 224 D CA 0.520 54.648 54.000 0.214 0.000 0.917 224 D CB 0.876 41.828 40.800 0.252 0.000 1.192 224 D HN 0.318 nan 8.370 nan 0.000 0.428 225 F N -0.526 119.424 119.950 0.000 0.000 2.741 225 F HA 0.490 5.017 4.527 -0.000 0.000 0.311 225 F C -1.630 174.108 175.800 -0.104 0.000 1.149 225 F CA -1.001 56.817 58.000 -0.303 0.000 0.930 225 F CB 1.216 40.059 39.000 -0.263 0.000 1.312 225 F HN 0.045 nan 8.300 nan 0.000 0.450 226 D N 1.856 122.226 120.400 -0.050 0.000 2.527 226 D HA 0.643 5.283 4.640 -0.000 0.000 0.233 226 D C -0.856 175.532 176.300 0.148 0.000 1.063 226 D CA -0.182 53.836 54.000 0.030 0.000 0.880 226 D CB 2.894 43.777 40.800 0.138 0.000 1.457 226 D HN 0.788 nan 8.370 nan 0.000 0.475 227 I N -1.747 118.904 120.570 0.135 0.000 2.603 227 I HA 0.891 5.061 4.170 -0.000 0.000 0.300 227 I C -0.665 175.508 176.117 0.092 0.000 1.017 227 I CA -0.779 60.611 61.300 0.150 0.000 1.098 227 I CB 2.158 40.294 38.000 0.228 0.000 1.279 227 I HN 0.326 nan 8.210 nan 0.000 0.437 228 A N 2.980 125.841 122.820 0.069 0.000 2.594 228 A HA 0.812 5.132 4.320 -0.000 0.000 0.291 228 A C -1.023 176.598 177.584 0.062 0.000 1.105 228 A CA -0.593 51.480 52.037 0.061 0.000 0.694 228 A CB 1.735 20.782 19.000 0.078 0.000 1.291 228 A HN 0.839 nan 8.150 nan 0.000 0.410 229 S N 0.300 116.035 115.700 0.058 0.000 2.482 229 S HA 0.617 5.087 4.470 -0.000 0.000 0.303 229 S C -0.689 173.962 174.600 0.085 0.000 1.091 229 S CA -0.500 57.740 58.200 0.067 0.000 1.057 229 S CB 0.691 63.914 63.200 0.038 0.000 1.031 229 S HN 0.810 nan 8.310 nan 0.000 0.485 230 N N 4.669 123.433 118.700 0.106 0.000 2.722 230 N HA 0.300 5.040 4.740 -0.000 0.000 0.242 230 N C -2.996 172.530 175.510 0.028 0.000 1.398 230 N CA -1.499 51.621 53.050 0.116 0.000 0.755 230 N CB 1.201 39.869 38.487 0.302 0.000 1.268 230 N HN 0.384 nan 8.380 nan 0.000 0.522 231 P HA 0.095 nan 4.420 nan 0.000 0.271 231 P C -0.550 176.399 177.300 -0.585 0.000 1.233 231 P CA 0.131 63.039 63.100 -0.321 0.000 0.789 231 P CB 0.945 32.410 31.700 -0.393 0.000 0.951 232 E N 0.104 119.954 120.200 -0.583 0.000 2.191 232 E HA 0.422 4.772 4.350 -0.000 0.000 0.274 232 E C -1.035 175.163 176.600 -0.670 0.000 0.948 232 E CA -0.539 55.575 56.400 -0.476 0.000 0.802 232 E CB 0.413 30.020 29.700 -0.154 0.000 1.137 232 E HN 0.249 nan 8.360 nan 0.000 0.397 233 F N 2.615 122.571 119.950 0.009 0.000 2.724 233 F HA 0.240 4.767 4.527 -0.000 0.000 0.310 233 F C 0.012 175.830 175.800 0.029 0.000 1.107 233 F CA -0.615 57.384 58.000 -0.001 0.000 1.218 233 F CB -0.147 38.819 39.000 -0.057 0.000 1.042 233 F HN 0.283 nan 8.300 nan 0.000 0.540 234 L N 0.081 121.419 121.223 0.192 0.000 2.467 234 L HA 0.423 4.763 4.340 -0.000 0.000 0.270 234 L C -0.201 176.767 176.870 0.162 0.000 1.205 234 L CA -0.655 54.290 54.840 0.175 0.000 0.828 234 L CB 0.197 42.376 42.059 0.200 0.000 1.101 234 L HN -0.002 nan 8.230 nan 0.000 0.479 235 K N 0.791 121.242 120.400 0.085 0.000 2.156 235 K HA 0.455 4.775 4.320 -0.000 0.000 0.250 235 K C -0.664 175.864 176.600 -0.120 0.000 0.955 235 K CA -0.705 55.590 56.287 0.013 0.000 0.855 235 K CB 1.284 33.814 32.500 0.050 0.000 1.101 235 K HN 0.576 nan 8.250 nan 0.000 0.434 236 E N 0.398 120.424 120.200 -0.289 0.000 2.413 236 E HA 0.021 4.370 4.350 -0.000 0.000 0.263 236 E C 0.754 177.214 176.600 -0.233 0.000 1.015 236 E CA 0.977 57.154 56.400 -0.371 0.000 0.916 236 E CB 0.482 29.967 29.700 -0.359 0.000 0.947 236 E HN 0.885 nan 8.360 nan 0.000 0.440 237 G N 3.634 112.323 108.800 -0.185 0.000 2.258 237 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.233 237 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.233 237 G C 0.624 175.462 174.900 -0.103 0.000 1.006 237 G CA 0.330 45.329 45.100 -0.168 0.000 0.620 237 G HN 0.559 nan 8.290 nan 0.000 0.511 238 N N 0.317 118.974 118.700 -0.071 0.000 2.517 238 N HA 0.637 5.377 4.740 -0.000 0.000 0.285 238 N C 1.484 177.000 175.510 0.008 0.000 1.528 238 N CA 1.283 54.318 53.050 -0.025 0.000 0.892 238 N CB 0.136 38.617 38.487 -0.010 0.000 1.356 238 N HN 0.568 nan 8.380 nan 0.000 0.495 239 A N -0.066 122.759 122.820 0.007 0.000 1.897 239 A HA 0.058 4.378 4.320 -0.000 0.000 0.215 239 A C 1.949 179.582 177.584 0.081 0.000 1.181 239 A CA 0.838 52.906 52.037 0.051 0.000 0.620 239 A CB -0.382 18.648 19.000 0.050 0.000 0.821 239 A HN 0.393 nan 8.150 nan 0.000 0.443 240 I N -0.237 120.361 120.570 0.047 0.000 2.179 240 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 240 I C 2.311 178.481 176.117 0.088 0.000 1.088 240 I CA 1.934 63.268 61.300 0.056 0.000 1.357 240 I CB -0.316 37.695 38.000 0.019 0.000 1.051 240 I HN 0.387 nan 8.210 nan 0.000 0.409 241 D N 0.857 121.291 120.400 0.057 0.000 2.123 241 D HA -0.232 4.408 4.640 -0.000 0.000 0.196 241 D C 1.732 178.064 176.300 0.054 0.000 0.992 241 D CA 1.489 55.518 54.000 0.048 0.000 0.833 241 D CB -0.011 40.806 40.800 0.028 0.000 0.954 241 D HN 0.196 nan 8.370 nan 0.000 0.455 242 D N -0.976 119.463 120.400 0.066 0.000 2.144 242 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 242 D C 1.648 177.987 176.300 0.065 0.000 0.984 242 D CA 0.534 54.571 54.000 0.061 0.000 0.834 242 D CB -0.407 40.443 40.800 0.082 0.000 0.955 242 D HN 0.295 nan 8.370 nan 0.000 0.465 243 F N 0.356 120.292 119.950 -0.023 0.000 2.163 243 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 243 F C 2.132 177.906 175.800 -0.043 0.000 1.094 243 F CA 0.919 58.888 58.000 -0.052 0.000 1.290 243 F CB 0.101 39.038 39.000 -0.104 0.000 1.017 243 F HN -0.176 nan 8.300 nan 0.000 0.483 244 M N -0.135 119.537 119.600 0.119 0.000 2.388 244 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 244 M C 0.081 176.377 176.300 -0.007 0.000 1.088 244 M CA 1.246 56.593 55.300 0.079 0.000 1.134 244 M CB -0.465 32.200 32.600 0.110 0.000 1.384 244 M HN -0.010 nan 8.290 nan 0.000 0.447 245 K N 1.117 121.504 120.400 -0.022 0.000 2.954 245 K HA 0.314 4.633 4.320 -0.000 0.000 0.171 245 K C -2.517 174.046 176.600 -0.063 0.000 1.079 245 K CA -1.135 55.131 56.287 -0.036 0.000 0.908 245 K CB 0.984 33.478 32.500 -0.010 0.000 1.142 245 K HN 0.056 nan 8.250 nan 0.000 0.613 246 P HA 0.128 nan 4.420 nan 0.000 0.278 246 P C -0.211 177.014 177.300 -0.124 0.000 1.238 246 P CA -0.202 62.825 63.100 -0.123 0.000 0.794 246 P CB 1.187 32.769 31.700 -0.196 0.000 0.955 247 D N 0.935 121.262 120.400 -0.122 0.000 2.149 247 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 247 D C 1.151 177.346 176.300 -0.175 0.000 0.990 247 D CA 1.729 55.645 54.000 -0.140 0.000 0.839 247 D CB 0.173 40.880 40.800 -0.155 0.000 0.948 247 D HN 0.475 nan 8.370 nan 0.000 0.460 248 R N -1.040 119.334 120.500 -0.211 0.000 2.733 248 R HA 0.467 4.807 4.340 -0.000 0.000 0.272 248 R C -1.925 174.225 176.300 -0.251 0.000 1.029 248 R CA -0.762 55.189 56.100 -0.248 0.000 0.888 248 R CB 0.759 30.903 30.300 -0.261 0.000 1.251 248 R HN -0.174 nan 8.270 nan 0.000 0.464 249 V N 1.198 120.913 119.914 -0.332 0.000 2.444 249 V HA 0.456 4.576 4.120 -0.000 0.000 0.294 249 V C -0.400 175.508 176.094 -0.311 0.000 1.022 249 V CA -0.866 61.213 62.300 -0.368 0.000 0.850 249 V CB 1.884 33.279 31.823 -0.714 0.000 0.992 249 V HN 0.510 nan 8.190 nan 0.000 0.426 250 V N 5.809 125.670 119.914 -0.090 0.000 2.427 250 V HA 0.578 4.698 4.120 -0.000 0.000 0.286 250 V C -0.305 175.723 176.094 -0.109 0.000 1.034 250 V CA -0.434 61.822 62.300 -0.073 0.000 0.893 250 V CB 1.856 33.774 31.823 0.158 0.000 0.982 250 V HN 0.615 nan 8.190 nan 0.000 0.452 251 V N 3.604 123.408 119.914 -0.183 0.000 2.569 251 V HA 0.680 4.800 4.120 -0.000 0.000 0.301 251 V C 0.444 176.569 176.094 0.052 0.000 1.044 251 V CA -0.501 61.748 62.300 -0.085 0.000 0.874 251 V CB 1.913 33.612 31.823 -0.207 0.000 1.002 251 V HN 0.935 nan 8.190 nan 0.000 0.424 252 G N 3.348 112.191 108.800 0.072 0.000 2.322 252 G HA2 0.677 4.637 3.960 -0.000 0.000 0.309 252 G HA3 0.677 4.637 3.960 -0.000 0.000 0.309 252 G C -0.593 174.351 174.900 0.073 0.000 1.121 252 G CA -0.408 44.722 45.100 0.050 0.000 0.886 252 G HN 1.057 nan 8.290 nan 0.000 0.447 253 V N 0.323 120.289 119.914 0.086 0.000 3.078 253 V HA 0.781 4.901 4.120 -0.000 0.000 0.311 253 V C -0.486 175.607 176.094 -0.002 0.000 1.138 253 V CA -0.914 61.423 62.300 0.062 0.000 1.007 253 V CB 2.536 34.425 31.823 0.110 0.000 1.045 253 V HN 0.625 nan 8.190 nan 0.000 0.432 254 D N 0.371 120.766 120.400 -0.009 0.000 2.563 254 D HA 0.283 4.923 4.640 -0.000 0.000 0.237 254 D C 0.201 176.495 176.300 -0.010 0.000 1.282 254 D CA 0.568 54.559 54.000 -0.015 0.000 0.816 254 D CB 0.324 41.118 40.800 -0.011 0.000 1.066 254 D HN 1.030 nan 8.370 nan 0.000 0.501 255 S N -1.244 114.450 115.700 -0.010 0.000 2.541 255 S HA 0.379 4.849 4.470 -0.000 0.000 0.271 255 S C -0.010 174.565 174.600 -0.041 0.000 1.133 255 S CA -0.674 57.515 58.200 -0.018 0.000 0.876 255 S CB 2.293 65.494 63.200 0.002 0.000 1.105 255 S HN -0.251 nan 8.310 nan 0.000 0.470 256 D N 1.268 121.635 120.400 -0.055 0.000 2.117 256 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 256 D C 1.853 178.111 176.300 -0.069 0.000 0.987 256 D CA 1.279 55.232 54.000 -0.078 0.000 0.829 256 D CB -0.194 40.563 40.800 -0.072 0.000 0.961 256 D HN 0.663 nan 8.370 nan 0.000 0.460 257 R N 0.417 120.889 120.500 -0.047 0.000 2.091 257 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 257 R C 2.090 178.401 176.300 0.018 0.000 1.136 257 R CA 1.526 57.602 56.100 -0.040 0.000 0.959 257 R CB -0.148 30.110 30.300 -0.070 0.000 0.856 257 R HN 0.128 nan 8.270 nan 0.000 0.437 258 A N 0.792 123.644 122.820 0.052 0.000 1.898 258 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 258 A C 2.159 179.790 177.584 0.078 0.000 1.181 258 A CA 1.430 53.521 52.037 0.091 0.000 0.620 258 A CB -0.560 18.497 19.000 0.096 0.000 0.819 258 A HN 0.393 nan 8.150 nan 0.000 0.442 259 R N 0.018 120.498 120.500 -0.033 0.000 2.073 259 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 259 R C 2.029 178.274 176.300 -0.093 0.000 1.134 259 R CA 1.937 57.902 56.100 -0.225 0.000 0.952 259 R CB -0.322 29.674 30.300 -0.506 0.000 0.850 259 R HN 0.688 nan 8.270 nan 0.000 0.433 260 E N 0.268 120.430 120.200 -0.064 0.000 2.058 260 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 260 E C 2.018 178.651 176.600 0.054 0.000 0.997 260 E CA 1.238 57.630 56.400 -0.014 0.000 0.801 260 E CB -0.136 29.539 29.700 -0.041 0.000 0.746 260 E HN 0.170 nan 8.360 nan 0.000 0.450 261 L N 0.730 121.991 121.223 0.062 0.000 2.042 261 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 261 L C 2.189 179.137 176.870 0.129 0.000 1.076 261 L CA 1.538 56.425 54.840 0.079 0.000 0.749 261 L CB -0.445 41.664 42.059 0.083 0.000 0.893 261 L HN 0.184 nan 8.230 nan 0.000 0.432 262 I N -1.748 118.955 120.570 0.221 0.000 2.353 262 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 262 I C 2.189 178.601 176.117 0.492 0.000 1.119 262 I CA 1.066 62.581 61.300 0.358 0.000 1.417 262 I CB -0.493 37.801 38.000 0.491 0.000 1.078 262 I HN 0.214 nan 8.210 nan 0.000 0.421 263 T N 0.176 115.034 114.554 0.508 0.000 2.708 263 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 263 T C 2.115 177.003 174.700 0.314 0.000 1.037 263 T CA 1.961 64.390 62.100 0.549 0.000 1.146 263 T CB -0.326 68.738 68.868 0.327 0.000 0.865 263 T HN 0.532 nan 8.240 nan 0.000 0.435 264 S N 1.465 117.265 115.700 0.167 0.000 2.423 264 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 264 S C 2.051 176.701 174.600 0.082 0.000 1.014 264 S CA 0.772 59.025 58.200 0.088 0.000 0.965 264 S CB -0.566 62.657 63.200 0.039 0.000 0.785 264 S HN 0.310 nan 8.310 nan 0.000 0.495 265 L N 0.255 121.517 121.223 0.065 0.000 2.027 265 L HA 0.147 4.487 4.340 -0.000 0.000 0.206 265 L C 1.999 178.847 176.870 -0.038 0.000 1.074 265 L CA 1.780 56.574 54.840 -0.077 0.000 0.745 265 L CB -0.869 41.041 42.059 -0.249 0.000 0.898 265 L HN 0.303 nan 8.230 nan 0.000 0.433 266 Y N -0.664 119.792 120.300 0.260 0.000 2.503 266 Y HA 0.060 4.609 4.550 -0.000 0.000 0.278 266 Y C 2.458 178.536 175.900 0.296 0.000 1.111 266 Y CA 0.645 58.902 58.100 0.263 0.000 1.270 266 Y CB -0.308 38.279 38.460 0.212 0.000 1.063 266 Y HN 0.171 nan 8.280 nan 0.000 0.548 267 K N 0.598 121.275 120.400 0.463 0.000 2.044 267 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 267 K C -0.897 175.832 176.600 0.214 0.000 1.049 267 K CA 1.875 58.352 56.287 0.317 0.000 0.927 267 K CB -0.924 31.599 32.500 0.037 0.000 0.713 267 K HN 0.173 nan 8.250 nan 0.000 0.443 268 P HA -0.119 nan 4.420 nan 0.000 0.223 268 P C 1.113 178.498 177.300 0.143 0.000 1.151 268 P CA 1.079 64.254 63.100 0.124 0.000 0.787 268 P CB 0.076 31.835 31.700 0.099 0.000 0.788 269 M N -1.242 118.474 119.600 0.193 0.000 2.287 269 M HA 0.019 4.499 4.480 -0.000 0.000 0.266 269 M C 0.448 176.834 176.300 0.143 0.000 1.079 269 M CA 1.314 56.722 55.300 0.179 0.000 1.146 269 M CB -0.058 32.688 32.600 0.244 0.000 1.374 269 M HN -0.207 nan 8.290 nan 0.000 0.435 270 L N 1.682 123.010 121.223 0.175 0.000 2.648 270 L HA 0.142 4.482 4.340 -0.000 0.000 0.238 270 L C 0.917 177.862 176.870 0.124 0.000 1.316 270 L CA -0.470 54.447 54.840 0.129 0.000 1.241 270 L CB -0.127 42.012 42.059 0.135 0.000 1.499 270 L HN 0.370 nan 8.230 nan 0.000 0.411 271 L N 0.166 121.445 121.223 0.092 0.000 2.131 271 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 271 L C 2.426 179.334 176.870 0.063 0.000 1.092 271 L CA 1.065 55.951 54.840 0.076 0.000 0.759 271 L CB -0.399 41.696 42.059 0.060 0.000 0.903 271 L HN 0.677 nan 8.230 nan 0.000 0.435 272 N N 0.798 119.528 118.700 0.050 0.000 2.171 272 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 272 N C 0.378 175.915 175.510 0.045 0.000 1.021 272 N CA 1.309 54.380 53.050 0.036 0.000 0.854 272 N CB 0.201 38.698 38.487 0.018 0.000 0.994 272 N HN 0.488 nan 8.380 nan 0.000 0.426 273 N N -0.634 118.103 118.700 0.062 0.000 3.126 273 N HA 0.126 4.865 4.740 -0.000 0.000 0.233 273 N C -1.749 173.833 175.510 0.120 0.000 1.069 273 N CA -0.628 52.472 53.050 0.083 0.000 1.071 273 N CB -0.379 38.132 38.487 0.039 0.000 1.683 273 N HN 0.098 nan 8.380 nan 0.000 0.586 274 F N 3.031 122.988 119.950 0.011 0.000 2.552 274 F HA 0.267 4.794 4.527 -0.000 0.000 0.342 274 F C 1.584 177.378 175.800 -0.011 0.000 1.257 274 F CA -0.407 57.603 58.000 0.018 0.000 1.058 274 F CB 0.258 39.289 39.000 0.051 0.000 1.288 274 F HN 0.655 nan 8.300 nan 0.000 0.627 275 R N 4.313 124.620 120.500 -0.322 0.000 3.335 275 R HA 0.363 4.703 4.340 -0.000 0.000 0.337 275 R C -1.313 174.671 176.300 -0.528 0.000 1.283 275 R CA -0.381 55.518 56.100 -0.335 0.000 1.246 275 R CB -0.431 29.746 30.300 -0.206 0.000 1.464 275 R HN 0.263 nan 8.270 nan 0.000 0.607 276 V N 2.393 121.767 119.914 -0.899 0.000 2.432 276 V HA 0.169 4.289 4.120 -0.000 0.000 0.271 276 V C -0.055 175.646 176.094 -0.655 0.000 1.046 276 V CA -0.637 61.109 62.300 -0.924 0.000 0.945 276 V CB 1.089 32.142 31.823 -1.283 0.000 0.992 276 V HN 0.345 nan 8.190 nan 0.000 0.471 277 L N 6.701 127.617 121.223 -0.511 0.000 2.259 277 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 277 L C -0.270 176.408 176.870 -0.320 0.000 1.051 277 L CA 0.291 54.954 54.840 -0.295 0.000 0.824 277 L CB 0.113 42.054 42.059 -0.197 0.000 1.206 277 L HN 0.372 nan 8.230 nan 0.000 0.429 278 F N 4.883 124.810 119.950 -0.038 0.000 2.384 278 F HA 0.693 5.220 4.527 -0.000 0.000 0.338 278 F C 0.683 176.478 175.800 -0.008 0.000 1.103 278 F CA -0.305 57.693 58.000 -0.005 0.000 1.157 278 F CB 1.001 40.019 39.000 0.029 0.000 1.167 278 F HN 0.453 nan 8.300 nan 0.000 0.529 279 M N 0.756 120.472 119.600 0.193 0.000 2.924 279 M HA 0.452 4.932 4.480 -0.000 0.000 0.271 279 M C -1.638 174.698 176.300 0.060 0.000 1.280 279 M CA -1.160 54.194 55.300 0.091 0.000 0.813 279 M CB 1.974 34.599 32.600 0.041 0.000 1.658 279 M HN 0.494 nan 8.290 nan 0.000 0.467 280 D N 0.864 121.272 120.400 0.012 0.000 2.360 280 D HA 0.230 4.870 4.640 -0.000 0.000 0.242 280 D C 0.796 177.038 176.300 -0.097 0.000 1.184 280 D CA -0.338 53.639 54.000 -0.040 0.000 0.930 280 D CB 1.699 42.476 40.800 -0.038 0.000 1.161 280 D HN 0.749 nan 8.370 nan 0.000 0.447 281 I N 0.806 121.232 120.570 -0.241 0.000 2.179 281 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 281 I C 2.722 178.674 176.117 -0.276 0.000 1.088 281 I CA 1.588 62.662 61.300 -0.377 0.000 1.357 281 I CB -0.499 36.987 38.000 -0.856 0.000 1.051 281 I HN 0.546 nan 8.210 nan 0.000 0.409 282 A N 0.366 123.041 122.820 -0.242 0.000 1.908 282 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 282 A C 2.496 180.098 177.584 0.031 0.000 1.181 282 A CA 2.397 54.442 52.037 0.013 0.000 0.627 282 A CB -0.779 18.281 19.000 0.100 0.000 0.818 282 A HN 0.411 nan 8.150 nan 0.000 0.445 283 S N -0.346 115.356 115.700 0.004 0.000 2.383 283 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 283 S C 2.263 176.888 174.600 0.041 0.000 1.026 283 S CA 1.032 59.246 58.200 0.024 0.000 0.981 283 S CB -0.395 62.812 63.200 0.012 0.000 0.818 283 S HN 0.799 nan 8.310 nan 0.000 0.472 284 A N 1.672 124.508 122.820 0.027 0.000 1.898 284 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 284 A C 1.984 179.620 177.584 0.086 0.000 1.181 284 A CA 1.363 53.430 52.037 0.051 0.000 0.620 284 A CB -0.502 18.515 19.000 0.029 0.000 0.819 284 A HN 0.529 nan 8.150 nan 0.000 0.442 285 E N -1.278 118.978 120.200 0.093 0.000 2.077 285 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 285 E C 1.953 178.697 176.600 0.240 0.000 0.989 285 E CA 1.585 58.081 56.400 0.161 0.000 0.800 285 E CB -0.246 29.565 29.700 0.185 0.000 0.746 285 E HN 0.599 nan 8.360 nan 0.000 0.452 286 M N 0.564 120.275 119.600 0.185 0.000 2.229 286 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 286 M C 2.021 178.437 176.300 0.192 0.000 1.063 286 M CA 1.571 56.988 55.300 0.194 0.000 1.114 286 M CB -0.274 32.386 32.600 0.100 0.000 1.387 286 M HN -0.079 nan 8.290 nan 0.000 0.420 287 T N 0.323 114.964 114.554 0.146 0.000 2.720 287 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 287 T C 1.731 176.548 174.700 0.195 0.000 1.037 287 T CA 1.893 64.074 62.100 0.135 0.000 1.144 287 T CB -0.289 68.655 68.868 0.127 0.000 0.864 287 T HN 0.298 nan 8.240 nan 0.000 0.444 288 K N 0.496 121.021 120.400 0.208 0.000 2.057 288 K HA -0.078 4.241 4.320 -0.000 0.000 0.207 288 K C 1.847 178.462 176.600 0.025 0.000 1.049 288 K CA 1.551 57.925 56.287 0.146 0.000 0.931 288 K CB -0.800 31.641 32.500 -0.098 0.000 0.714 288 K HN 0.446 nan 8.250 nan 0.000 0.440 289 Y N 0.086 120.440 120.300 0.091 0.000 2.145 289 Y HA -0.083 4.467 4.550 -0.000 0.000 0.286 289 Y C 2.302 178.224 175.900 0.037 0.000 1.145 289 Y CA 1.616 59.754 58.100 0.063 0.000 1.148 289 Y CB -0.643 37.849 38.460 0.054 0.000 0.981 289 Y HN 0.184 nan 8.280 nan 0.000 0.507 290 A N -0.168 122.760 122.820 0.180 0.000 1.969 290 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 290 A C 2.393 179.983 177.584 0.010 0.000 1.169 290 A CA 1.598 53.682 52.037 0.078 0.000 0.635 290 A CB -1.154 17.877 19.000 0.052 0.000 0.810 290 A HN 0.408 nan 8.150 nan 0.000 0.445 291 A N 0.353 123.186 122.820 0.021 0.000 1.855 291 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 291 A C 1.948 179.481 177.584 -0.085 0.000 1.191 291 A CA 1.908 53.919 52.037 -0.043 0.000 0.613 291 A CB -0.629 18.363 19.000 -0.014 0.000 0.829 291 A HN 0.510 nan 8.150 nan 0.000 0.442 292 N N 0.301 118.984 118.700 -0.030 0.000 2.142 292 N HA -0.048 4.692 4.740 -0.000 0.000 0.186 292 N C 1.832 177.115 175.510 -0.378 0.000 1.023 292 N CA 1.537 54.515 53.050 -0.121 0.000 0.852 292 N CB -0.553 37.988 38.487 0.089 0.000 0.998 292 N HN 0.444 nan 8.380 nan 0.000 0.424 293 A N 0.495 123.215 122.820 -0.166 0.000 1.908 293 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 293 A C 2.210 179.673 177.584 -0.203 0.000 1.181 293 A CA 1.672 53.616 52.037 -0.154 0.000 0.627 293 A CB -0.516 18.480 19.000 -0.008 0.000 0.818 293 A HN 0.277 nan 8.150 nan 0.000 0.445 294 M N -0.301 119.194 119.600 -0.176 0.000 2.175 294 M HA 0.046 4.526 4.480 -0.000 0.000 0.264 294 M C 1.749 177.923 176.300 -0.210 0.000 1.063 294 M CA 1.414 56.621 55.300 -0.156 0.000 1.119 294 M CB -0.626 31.898 32.600 -0.127 0.000 1.377 294 M HN 0.346 nan 8.290 nan 0.000 0.415 295 L N -0.419 120.604 121.223 -0.334 0.000 2.056 295 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 295 L C 2.574 179.195 176.870 -0.415 0.000 1.078 295 L CA 1.175 55.810 54.840 -0.341 0.000 0.749 295 L CB -1.222 40.571 42.059 -0.443 0.000 0.901 295 L HN 0.417 nan 8.230 nan 0.000 0.433 296 A N -0.356 121.954 122.820 -0.849 0.000 1.902 296 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 296 A C 2.366 179.848 177.584 -0.170 0.000 1.181 296 A CA 2.359 53.938 52.037 -0.763 0.000 0.623 296 A CB -0.948 17.512 19.000 -0.900 0.000 0.818 296 A HN 0.394 nan 8.150 nan 0.000 0.443 297 T N -0.249 114.237 114.554 -0.114 0.000 2.746 297 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 297 T C 2.022 176.780 174.700 0.098 0.000 1.039 297 T CA 1.579 63.698 62.100 0.032 0.000 1.142 297 T CB -0.265 68.604 68.868 0.001 0.000 0.866 297 T HN 0.530 nan 8.240 nan 0.000 0.444 298 R N 0.330 120.852 120.500 0.037 0.000 2.091 298 R HA -0.026 4.314 4.340 -0.000 0.000 0.238 298 R C 2.385 178.806 176.300 0.201 0.000 1.136 298 R CA 1.342 57.491 56.100 0.080 0.000 0.959 298 R CB -0.509 29.826 30.300 0.058 0.000 0.856 298 R HN 0.417 nan 8.270 nan 0.000 0.437 299 I N -0.231 120.464 120.570 0.209 0.000 2.233 299 I HA -0.209 3.960 4.170 -0.000 0.000 0.243 299 I C 2.192 178.477 176.117 0.282 0.000 1.093 299 I CA 1.100 62.563 61.300 0.272 0.000 1.380 299 I CB -0.168 38.053 38.000 0.369 0.000 1.067 299 I HN 0.053 nan 8.210 nan 0.000 0.413 300 S N 0.554 116.433 115.700 0.300 0.000 2.383 300 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 300 S C 1.862 176.576 174.600 0.189 0.000 1.026 300 S CA 1.174 59.515 58.200 0.235 0.000 0.981 300 S CB -0.393 62.951 63.200 0.241 0.000 0.818 300 S HN 0.412 nan 8.310 nan 0.000 0.472 301 F N 2.016 122.015 119.950 0.081 0.000 2.095 301 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 301 F C 2.144 177.975 175.800 0.053 0.000 1.104 301 F CA 1.464 59.497 58.000 0.055 0.000 1.232 301 F CB -0.187 38.837 39.000 0.040 0.000 0.987 301 F HN 0.116 nan 8.300 nan 0.000 0.475 302 M N 0.482 120.293 119.600 0.352 0.000 2.229 302 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 302 M C 1.826 178.169 176.300 0.072 0.000 1.063 302 M CA 1.075 56.508 55.300 0.222 0.000 1.114 302 M CB -1.485 31.257 32.600 0.237 0.000 1.387 302 M HN 0.225 nan 8.290 nan 0.000 0.420 303 N N 1.043 119.794 118.700 0.084 0.000 2.069 303 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 303 N C 1.319 176.822 175.510 -0.011 0.000 1.031 303 N CA 1.362 54.441 53.050 0.048 0.000 0.852 303 N CB -0.427 38.102 38.487 0.071 0.000 1.018 303 N HN 0.293 nan 8.380 nan 0.000 0.423 304 D N 0.398 120.760 120.400 -0.064 0.000 2.104 304 D HA -0.079 4.561 4.640 -0.000 0.000 0.194 304 D C 2.081 178.294 176.300 -0.145 0.000 0.994 304 D CA 0.520 54.453 54.000 -0.112 0.000 0.830 304 D CB -0.262 40.437 40.800 -0.168 0.000 0.959 304 D HN -0.026 nan 8.370 nan 0.000 0.452 305 V N 1.133 120.913 119.914 -0.224 0.000 2.343 305 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 305 V C 2.485 178.544 176.094 -0.059 0.000 1.051 305 V CA 1.821 64.020 62.300 -0.168 0.000 1.036 305 V CB -0.790 30.924 31.823 -0.182 0.000 0.654 305 V HN 0.200 nan 8.190 nan 0.000 0.451 306 A N 0.539 123.346 122.820 -0.021 0.000 1.883 306 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 306 A C 2.051 179.639 177.584 0.007 0.000 1.186 306 A CA 2.192 54.236 52.037 0.012 0.000 0.624 306 A CB -0.705 18.317 19.000 0.038 0.000 0.822 306 A HN 0.607 nan 8.150 nan 0.000 0.444 307 N N -0.264 118.434 118.700 -0.002 0.000 2.120 307 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 307 N C 1.550 177.057 175.510 -0.005 0.000 1.024 307 N CA 1.420 54.472 53.050 0.003 0.000 0.852 307 N CB -0.601 37.886 38.487 0.001 0.000 1.003 307 N HN 0.415 nan 8.380 nan 0.000 0.424 308 L N 1.014 122.223 121.223 -0.022 0.000 2.046 308 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 308 L C 2.112 178.975 176.870 -0.010 0.000 1.077 308 L CA 1.380 56.207 54.840 -0.022 0.000 0.747 308 L CB -0.858 41.176 42.059 -0.041 0.000 0.896 308 L HN 0.134 nan 8.230 nan 0.000 0.432 309 C N -0.048 119.248 119.300 -0.007 0.000 2.401 309 C HA -0.196 4.264 4.460 -0.000 0.000 0.276 309 C C 2.585 177.580 174.990 0.008 0.000 1.233 309 C CA 1.139 60.159 59.018 0.004 0.000 1.753 309 C CB -1.026 26.721 27.740 0.012 0.000 2.029 309 C HN 0.584 nan 8.230 nan 0.000 0.478 310 E N -0.039 120.167 120.200 0.011 0.000 2.160 310 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 310 E C 2.297 178.903 176.600 0.011 0.000 0.991 310 E CA 1.054 57.463 56.400 0.015 0.000 0.810 310 E CB -0.160 29.552 29.700 0.020 0.000 0.742 310 E HN 0.655 nan 8.360 nan 0.000 0.466 311 R N 0.138 120.641 120.500 0.006 0.000 2.161 311 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 311 R C 2.270 178.571 176.300 0.003 0.000 1.055 311 R CA 0.980 57.082 56.100 0.004 0.000 0.996 311 R CB 0.260 30.561 30.300 0.002 0.000 0.901 311 R HN 0.136 nan 8.270 nan 0.000 0.456 312 V N -3.741 116.175 119.914 0.003 0.000 3.578 312 V HA 0.466 4.586 4.120 -0.000 0.000 0.290 312 V C 0.899 176.995 176.094 0.004 0.000 1.376 312 V CA 0.461 62.762 62.300 0.002 0.000 1.083 312 V CB 0.498 32.321 31.823 0.001 0.000 0.911 312 V HN 0.352 nan 8.190 nan 0.000 0.433 313 G N 0.144 108.947 108.800 0.006 0.000 2.132 313 G HA2 0.009 3.969 3.960 -0.000 0.000 0.228 313 G HA3 0.009 3.969 3.960 -0.000 0.000 0.228 313 G C 0.258 175.164 174.900 0.009 0.000 1.000 313 G CA 0.289 45.393 45.100 0.007 0.000 0.693 313 G HN 1.602 nan 8.290 nan 0.000 0.515 314 A N -0.512 122.315 122.820 0.011 0.000 2.269 314 A HA 0.681 5.001 4.320 -0.000 0.000 0.319 314 A C -0.051 177.544 177.584 0.018 0.000 1.110 314 A CA 0.101 52.147 52.037 0.014 0.000 0.847 314 A CB 0.980 19.989 19.000 0.014 0.000 1.161 314 A HN 0.387 nan 8.150 nan 0.000 0.497 315 D N 1.464 121.877 120.400 0.022 0.000 2.427 315 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 315 D C 0.732 177.052 176.300 0.034 0.000 1.076 315 D CA -0.280 53.737 54.000 0.027 0.000 0.849 315 D CB 1.486 42.301 40.800 0.026 0.000 1.052 315 D HN 0.118 nan 8.370 nan 0.000 0.515 316 V N 3.921 123.858 119.914 0.038 0.000 2.594 316 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 316 V C 2.155 178.281 176.094 0.053 0.000 1.069 316 V CA 2.681 65.009 62.300 0.046 0.000 1.082 316 V CB -0.311 31.542 31.823 0.049 0.000 0.680 316 V HN 0.697 nan 8.190 nan 0.000 0.469 317 S N -0.720 115.014 115.700 0.056 0.000 2.383 317 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 317 S C 1.999 176.627 174.600 0.046 0.000 1.026 317 S CA 1.608 59.845 58.200 0.061 0.000 0.981 317 S CB -0.385 62.856 63.200 0.068 0.000 0.818 317 S HN 0.460 nan 8.310 nan 0.000 0.472 318 M N 1.392 121.015 119.600 0.039 0.000 2.132 318 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 318 M C 2.371 178.689 176.300 0.030 0.000 1.065 318 M CA 0.981 56.300 55.300 0.031 0.000 1.122 318 M CB -1.539 31.078 32.600 0.028 0.000 1.365 318 M HN 0.280 nan 8.290 nan 0.000 0.411 319 V N 0.095 120.030 119.914 0.035 0.000 2.295 319 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 319 V C 2.562 178.681 176.094 0.041 0.000 1.049 319 V CA 2.015 64.340 62.300 0.041 0.000 1.024 319 V CB -0.893 30.959 31.823 0.049 0.000 0.648 319 V HN 0.460 nan 8.190 nan 0.000 0.447 320 R N 0.049 120.572 120.500 0.037 0.000 2.083 320 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 320 R C 2.302 178.598 176.300 -0.007 0.000 1.137 320 R CA 1.850 57.957 56.100 0.012 0.000 0.951 320 R CB -0.376 29.920 30.300 -0.007 0.000 0.851 320 R HN 0.456 nan 8.270 nan 0.000 0.434 321 L N -0.294 120.931 121.223 0.004 0.000 2.042 321 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 321 L C 2.594 179.466 176.870 0.004 0.000 1.076 321 L CA 1.483 56.325 54.840 0.002 0.000 0.749 321 L CB -0.777 41.291 42.059 0.014 0.000 0.893 321 L HN 0.514 nan 8.230 nan 0.000 0.432 322 G N 0.643 109.450 108.800 0.012 0.000 2.422 322 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 322 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 322 G C 1.540 176.446 174.900 0.011 0.000 1.140 322 G CA 0.927 46.035 45.100 0.014 0.000 0.775 322 G HN 0.573 nan 8.290 nan 0.000 0.545 323 I N -2.510 118.067 120.570 0.012 0.000 3.081 323 I HA 0.370 4.540 4.170 -0.000 0.000 0.274 323 I C 2.409 178.514 176.117 -0.021 0.000 1.178 323 I CA 0.820 62.122 61.300 0.003 0.000 1.460 323 I CB -0.159 37.855 38.000 0.023 0.000 1.137 323 I HN -0.031 nan 8.210 nan 0.000 0.443 324 G N 1.525 110.309 108.800 -0.027 0.000 2.509 324 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 324 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 324 G C 1.650 176.530 174.900 -0.034 0.000 1.124 324 G CA 0.885 45.959 45.100 -0.044 0.000 0.776 324 G HN 0.584 nan 8.290 nan 0.000 0.547 325 S N -0.260 115.426 115.700 -0.022 0.000 2.522 325 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 325 S C 0.712 175.302 174.600 -0.017 0.000 0.986 325 S CA 0.094 58.285 58.200 -0.016 0.000 0.929 325 S CB 0.128 63.324 63.200 -0.007 0.000 0.769 325 S HN 0.236 nan 8.310 nan 0.000 0.529 326 D N 2.828 123.215 120.400 -0.022 0.000 2.339 326 D HA 0.170 4.810 4.640 -0.000 0.000 0.256 326 D C 1.217 177.498 176.300 -0.032 0.000 1.214 326 D CA 0.258 54.243 54.000 -0.024 0.000 0.877 326 D CB 1.483 42.267 40.800 -0.027 0.000 1.111 326 D HN 0.280 nan 8.370 nan 0.000 0.478 327 S N 3.922 119.604 115.700 -0.029 0.000 2.507 327 S HA -0.106 4.363 4.470 -0.000 0.000 0.235 327 S C 1.521 176.097 174.600 -0.040 0.000 0.988 327 S CA 0.455 58.636 58.200 -0.032 0.000 0.944 327 S CB -0.006 63.178 63.200 -0.026 0.000 0.762 327 S HN 0.513 nan 8.310 nan 0.000 0.526 328 R N 0.021 120.496 120.500 -0.042 0.000 2.200 328 R HA 0.342 4.682 4.340 -0.000 0.000 0.208 328 R C 1.712 177.973 176.300 -0.065 0.000 1.033 328 R CA 1.062 57.131 56.100 -0.050 0.000 1.000 328 R CB -0.205 30.068 30.300 -0.046 0.000 0.906 328 R HN 0.481 nan 8.270 nan 0.000 0.462 329 I N -0.681 119.849 120.570 -0.067 0.000 2.729 329 I HA 0.165 4.335 4.170 -0.000 0.000 0.256 329 I C 0.855 176.927 176.117 -0.074 0.000 1.115 329 I CA 0.476 61.724 61.300 -0.086 0.000 1.446 329 I CB 0.089 38.033 38.000 -0.094 0.000 1.176 329 I HN 0.231 nan 8.210 nan 0.000 0.446 330 G N 1.047 109.812 108.800 -0.058 0.000 2.733 330 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 330 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 330 G C 0.404 175.274 174.900 -0.050 0.000 1.373 330 G CA -0.048 45.022 45.100 -0.049 0.000 0.838 330 G HN 0.388 nan 8.290 nan 0.000 0.588 331 S N -0.538 115.136 115.700 -0.042 0.000 2.556 331 S HA 0.274 4.744 4.470 -0.000 0.000 0.216 331 S C 0.805 175.354 174.600 -0.085 0.000 0.970 331 S CA 0.846 59.009 58.200 -0.062 0.000 0.912 331 S CB 0.223 63.399 63.200 -0.041 0.000 0.790 331 S HN 0.733 nan 8.310 nan 0.000 0.504 332 K N 0.651 121.040 120.400 -0.018 0.000 2.098 332 K HA 0.449 4.769 4.320 -0.000 0.000 0.258 332 K C -0.837 175.857 176.600 0.157 0.000 0.973 332 K CA -0.911 55.421 56.287 0.075 0.000 0.898 332 K CB 0.224 32.816 32.500 0.153 0.000 1.057 332 K HN 0.051 nan 8.250 nan 0.000 0.447 333 F N 1.189 121.107 119.950 -0.053 0.000 3.027 333 F HA -0.211 4.316 4.527 -0.000 0.000 0.276 333 F C 0.026 175.799 175.800 -0.045 0.000 0.967 333 F CA 0.424 58.441 58.000 0.029 0.000 0.929 333 F CB -1.146 37.894 39.000 0.066 0.000 0.873 333 F HN 0.509 nan 8.300 nan 0.000 0.787 334 L N -0.699 120.430 121.223 -0.157 0.000 3.168 334 L HA 0.199 4.539 4.340 -0.000 0.000 0.277 334 L C -0.172 176.627 176.870 -0.119 0.000 1.245 334 L CA -0.272 54.502 54.840 -0.111 0.000 1.035 334 L CB 0.089 42.064 42.059 -0.140 0.000 1.399 334 L HN 0.034 nan 8.230 nan 0.000 0.580 335 Y N 2.442 122.750 120.300 0.015 0.000 2.452 335 Y HA 0.266 4.816 4.550 -0.000 0.000 0.348 335 Y C -1.656 174.262 175.900 0.031 0.000 0.985 335 Y CA -2.610 55.492 58.100 0.003 0.000 1.214 335 Y CB -0.080 38.348 38.460 -0.054 0.000 1.136 335 Y HN 0.022 nan 8.280 nan 0.000 0.523 336 P HA 0.473 nan 4.420 nan 0.000 0.274 336 P C 0.225 177.600 177.300 0.126 0.000 1.246 336 P CA 0.064 63.251 63.100 0.145 0.000 0.795 336 P CB 1.983 33.750 31.700 0.111 0.000 1.006 337 G N -0.874 107.985 108.800 0.099 0.000 2.435 337 G HA2 0.137 4.096 3.960 -0.000 0.000 0.228 337 G HA3 0.137 4.096 3.960 -0.000 0.000 0.228 337 G C -0.063 174.876 174.900 0.065 0.000 1.198 337 G CA -0.041 45.104 45.100 0.074 0.000 0.948 337 G HN 0.595 nan 8.290 nan 0.000 0.487 338 C N 0.258 119.588 119.300 0.050 0.000 2.559 338 C HA 0.692 5.152 4.460 -0.000 0.000 0.300 338 C C 1.328 176.331 174.990 0.022 0.000 1.288 338 C CA -0.039 59.004 59.018 0.041 0.000 1.699 338 C CB -1.312 26.452 27.740 0.040 0.000 1.819 338 C HN 2.423 nan 8.230 nan 0.000 0.600 339 G N 0.397 109.217 108.800 0.033 0.000 2.497 339 G HA2 0.207 4.167 3.960 -0.000 0.000 0.686 339 G HA3 0.207 4.167 3.960 -0.000 0.000 0.686 339 G C -0.919 174.031 174.900 0.084 0.000 1.288 339 G CA -0.415 44.682 45.100 -0.006 0.000 0.899 339 G HN 1.213 nan 8.290 nan 0.000 0.608 340 Y N -0.189 120.198 120.300 0.146 0.000 2.310 340 Y HA 0.803 5.353 4.550 -0.000 0.000 0.326 340 Y C 0.794 176.781 175.900 0.146 0.000 1.151 340 Y CA -0.478 57.736 58.100 0.190 0.000 1.195 340 Y CB 1.346 40.017 38.460 0.350 0.000 1.210 340 Y HN 1.092 nan 8.280 nan 0.000 0.483 341 G N 0.298 109.288 108.800 0.317 0.000 3.212 341 G HA2 0.666 4.625 3.960 -0.000 0.000 0.188 341 G HA3 0.666 4.625 3.960 -0.000 0.000 0.188 341 G C -0.185 174.643 174.900 -0.120 0.000 1.254 341 G CA -0.811 44.381 45.100 0.154 0.000 0.957 341 G HN 1.589 nan 8.290 nan 0.000 0.596 342 G N -1.810 106.602 108.800 -0.646 0.000 2.699 342 G HA2 0.230 4.190 3.960 -0.000 0.000 0.686 342 G HA3 0.230 4.190 3.960 -0.000 0.000 0.686 342 G C 0.971 175.539 174.900 -0.553 0.000 1.301 342 G CA 0.623 44.855 45.100 -1.447 0.000 0.816 342 G HN 1.838 nan 8.290 nan 0.000 0.595 343 S N -1.328 114.100 115.700 -0.452 0.000 2.406 343 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 343 S C 2.318 176.867 174.600 -0.085 0.000 1.020 343 S CA 2.238 60.335 58.200 -0.171 0.000 0.965 343 S CB -0.391 62.752 63.200 -0.095 0.000 0.798 343 S HN 1.151 nan 8.310 nan 0.000 0.488 344 C N 1.081 120.305 119.300 -0.127 0.000 2.508 344 C HA 0.201 4.661 4.460 -0.000 0.000 0.280 344 C C 2.452 177.532 174.990 0.150 0.000 1.262 344 C CA 0.181 59.194 59.018 -0.008 0.000 1.706 344 C CB -1.613 26.118 27.740 -0.015 0.000 2.078 344 C HN 0.503 nan 8.230 nan 0.000 0.480 345 F N 1.532 121.473 119.950 -0.015 0.000 2.095 345 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 345 F C -0.088 175.766 175.800 0.090 0.000 1.104 345 F CA 1.174 59.147 58.000 -0.046 0.000 1.232 345 F CB -2.793 36.019 39.000 -0.313 0.000 0.987 345 F HN 0.198 nan 8.300 nan 0.000 0.475 346 P HA -0.177 nan 4.420 nan 0.000 0.216 346 P C 1.480 178.900 177.300 0.200 0.000 1.153 346 P CA 2.201 65.483 63.100 0.304 0.000 0.848 346 P CB -0.213 31.618 31.700 0.218 0.000 0.787 347 K N -0.741 119.753 120.400 0.157 0.000 2.103 347 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 347 K C 1.309 178.019 176.600 0.182 0.000 1.052 347 K CA 1.598 57.967 56.287 0.137 0.000 0.945 347 K CB -0.772 31.788 32.500 0.099 0.000 0.722 347 K HN -0.031 nan 8.250 nan 0.000 0.443 348 D N 1.206 121.724 120.400 0.196 0.000 2.149 348 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 348 D C 2.165 178.654 176.300 0.315 0.000 0.972 348 D CA 0.900 55.059 54.000 0.264 0.000 0.835 348 D CB -0.148 40.710 40.800 0.096 0.000 0.966 348 D HN 0.062 nan 8.370 nan 0.000 0.476 349 V N 1.135 121.177 119.914 0.215 0.000 2.295 349 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 349 V C 2.435 178.622 176.094 0.154 0.000 1.049 349 V CA 1.700 64.102 62.300 0.170 0.000 1.024 349 V CB -0.384 31.527 31.823 0.147 0.000 0.648 349 V HN 0.101 nan 8.190 nan 0.000 0.447 350 K N 1.097 121.589 120.400 0.153 0.000 2.057 350 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 350 K C 2.030 178.690 176.600 0.099 0.000 1.049 350 K CA 1.823 58.180 56.287 0.116 0.000 0.931 350 K CB -0.652 31.913 32.500 0.109 0.000 0.714 350 K HN 0.372 nan 8.250 nan 0.000 0.440 351 A N 0.491 123.392 122.820 0.135 0.000 1.933 351 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 351 A C 2.099 179.662 177.584 -0.036 0.000 1.175 351 A CA 1.523 53.613 52.037 0.087 0.000 0.628 351 A CB -0.645 18.474 19.000 0.200 0.000 0.814 351 A HN 0.383 nan 8.150 nan 0.000 0.444 352 L N -0.086 121.130 121.223 -0.012 0.000 2.072 352 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 352 L C 2.190 179.049 176.870 -0.019 0.000 1.079 352 L CA 1.501 56.280 54.840 -0.102 0.000 0.752 352 L CB -0.395 41.681 42.059 0.028 0.000 0.906 352 L HN 0.423 nan 8.230 nan 0.000 0.436 353 I N -0.613 119.977 120.570 0.034 0.000 2.208 353 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 353 I C 2.672 178.804 176.117 0.026 0.000 1.097 353 I CA 1.534 62.858 61.300 0.041 0.000 1.363 353 I CB -0.310 37.720 38.000 0.051 0.000 1.051 353 I HN 0.288 nan 8.210 nan 0.000 0.413 354 R N 0.801 121.310 120.500 0.015 0.000 2.073 354 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 354 R C 2.212 178.508 176.300 -0.007 0.000 1.120 354 R CA 1.959 58.065 56.100 0.009 0.000 0.967 354 R CB -0.817 29.492 30.300 0.014 0.000 0.862 354 R HN 0.178 nan 8.270 nan 0.000 0.436 355 T N 0.449 114.979 114.554 -0.041 0.000 2.720 355 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 355 T C 1.750 176.444 174.700 -0.009 0.000 1.037 355 T CA 1.567 63.635 62.100 -0.054 0.000 1.144 355 T CB -0.508 68.278 68.868 -0.135 0.000 0.864 355 T HN 0.456 nan 8.240 nan 0.000 0.444 356 A N 1.559 124.391 122.820 0.021 0.000 1.877 356 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 356 A C 2.185 179.822 177.584 0.089 0.000 1.186 356 A CA 1.765 53.857 52.037 0.092 0.000 0.620 356 A CB -0.594 18.505 19.000 0.164 0.000 0.822 356 A HN 0.592 nan 8.150 nan 0.000 0.443 357 E N -0.036 120.194 120.200 0.049 0.000 2.085 357 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 357 E C 1.440 178.059 176.600 0.030 0.000 0.994 357 E CA 1.212 57.632 56.400 0.033 0.000 0.801 357 E CB -0.279 29.431 29.700 0.017 0.000 0.743 357 E HN 0.518 nan 8.360 nan 0.000 0.453 358 D N 0.484 120.898 120.400 0.022 0.000 2.221 358 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 358 D C 1.043 177.356 176.300 0.022 0.000 0.982 358 D CA 0.840 54.850 54.000 0.016 0.000 0.857 358 D CB -0.206 40.597 40.800 0.005 0.000 0.934 358 D HN 0.147 nan 8.370 nan 0.000 0.475 359 N N -0.444 118.279 118.700 0.037 0.000 2.251 359 N HA 0.137 4.877 4.740 -0.000 0.000 0.217 359 N C 0.894 176.449 175.510 0.075 0.000 1.124 359 N CA 0.451 53.527 53.050 0.045 0.000 0.843 359 N CB 1.375 39.883 38.487 0.035 0.000 1.024 359 N HN 0.134 nan 8.380 nan 0.000 0.501 360 G N 1.092 109.936 108.800 0.073 0.000 2.143 360 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 360 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 360 G C -0.445 174.531 174.900 0.128 0.000 0.991 360 G CA 0.220 45.366 45.100 0.077 0.000 0.689 360 G HN 0.476 nan 8.290 nan 0.000 0.522 361 Y N -0.135 120.164 120.300 -0.001 0.000 2.409 361 Y HA 0.703 5.253 4.550 -0.000 0.000 0.343 361 Y C 0.123 176.024 175.900 0.002 0.000 0.973 361 Y CA -1.683 56.417 58.100 0.001 0.000 1.064 361 Y CB 1.388 39.848 38.460 -0.001 0.000 1.207 361 Y HN 0.343 nan 8.280 nan 0.000 0.452 362 R N 5.747 125.878 120.500 -0.615 0.000 2.338 362 R HA 0.473 4.813 4.340 -0.000 0.000 0.317 362 R C -1.487 174.546 176.300 -0.445 0.000 0.968 362 R CA -0.478 55.396 56.100 -0.377 0.000 0.849 362 R CB 0.693 30.823 30.300 -0.283 0.000 1.128 362 R HN 0.620 nan 8.270 nan 0.000 0.448 363 M N 4.522 124.055 119.600 -0.112 0.000 2.852 363 M HA 0.138 4.618 4.480 -0.000 0.000 0.321 363 M C 0.099 176.397 176.300 -0.004 0.000 1.337 363 M CA 0.283 55.595 55.300 0.019 0.000 1.406 363 M CB 0.645 33.307 32.600 0.103 0.000 1.152 363 M HN 0.831 nan 8.290 nan 0.000 0.508 364 E N 1.032 121.211 120.200 -0.035 0.000 2.106 364 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 364 E C 1.712 178.325 176.600 0.022 0.000 0.984 364 E CA 0.876 57.265 56.400 -0.018 0.000 0.806 364 E CB 0.367 30.048 29.700 -0.031 0.000 0.750 364 E HN 0.443 nan 8.360 nan 0.000 0.458 365 V N 1.601 121.541 119.914 0.042 0.000 2.295 365 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 365 V C 2.307 178.439 176.094 0.064 0.000 1.049 365 V CA 1.507 63.842 62.300 0.058 0.000 1.024 365 V CB -0.422 31.440 31.823 0.065 0.000 0.648 365 V HN 0.281 nan 8.190 nan 0.000 0.447 366 L N -0.457 120.804 121.223 0.063 0.000 2.131 366 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 366 L C 2.551 179.465 176.870 0.073 0.000 1.092 366 L CA 1.499 56.381 54.840 0.070 0.000 0.759 366 L CB -0.642 41.459 42.059 0.071 0.000 0.903 366 L HN 0.412 nan 8.230 nan 0.000 0.435 367 E N 0.279 120.511 120.200 0.053 0.000 2.077 367 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 367 E C 2.333 178.963 176.600 0.051 0.000 0.989 367 E CA 1.135 57.562 56.400 0.046 0.000 0.800 367 E CB -0.115 29.599 29.700 0.022 0.000 0.746 367 E HN 0.502 nan 8.360 nan 0.000 0.452 368 A N 0.900 123.750 122.820 0.050 0.000 1.898 368 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 368 A C 2.484 180.112 177.584 0.073 0.000 1.181 368 A CA 1.004 53.073 52.037 0.052 0.000 0.620 368 A CB -0.591 18.438 19.000 0.048 0.000 0.819 368 A HN 0.107 nan 8.150 nan 0.000 0.442 369 V N 0.135 120.108 119.914 0.098 0.000 2.332 369 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 369 V C 2.442 178.633 176.094 0.162 0.000 1.055 369 V CA 2.339 64.725 62.300 0.144 0.000 1.038 369 V CB -0.800 31.114 31.823 0.151 0.000 0.651 369 V HN 0.628 nan 8.190 nan 0.000 0.450 370 E N -0.273 120.011 120.200 0.140 0.000 2.051 370 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 370 E C 2.526 179.161 176.600 0.058 0.000 0.991 370 E CA 1.168 57.642 56.400 0.123 0.000 0.799 370 E CB -0.156 29.607 29.700 0.105 0.000 0.748 370 E HN 0.530 nan 8.360 nan 0.000 0.449 371 R N 0.314 120.843 120.500 0.049 0.000 2.081 371 R HA -0.119 4.220 4.340 -0.000 0.000 0.235 371 R C 2.456 178.765 176.300 0.016 0.000 1.131 371 R CA 1.088 57.204 56.100 0.027 0.000 0.960 371 R CB -0.415 29.900 30.300 0.025 0.000 0.856 371 R HN 0.075 nan 8.270 nan 0.000 0.436 372 V N 1.674 121.604 119.914 0.028 0.000 2.295 372 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 372 V C 1.969 178.055 176.094 -0.013 0.000 1.049 372 V CA 2.044 64.355 62.300 0.019 0.000 1.024 372 V CB -0.633 31.216 31.823 0.042 0.000 0.648 372 V HN 0.359 nan 8.190 nan 0.000 0.447 373 N N -0.160 118.511 118.700 -0.048 0.000 2.166 373 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 373 N C 1.827 177.245 175.510 -0.154 0.000 1.019 373 N CA 1.161 54.092 53.050 -0.198 0.000 0.856 373 N CB -0.090 38.072 38.487 -0.541 0.000 0.993 373 N HN 0.382 nan 8.380 nan 0.000 0.426 374 E N 0.653 120.801 120.200 -0.087 0.000 2.051 374 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 374 E C 1.717 178.297 176.600 -0.033 0.000 0.991 374 E CA 1.000 57.367 56.400 -0.054 0.000 0.799 374 E CB -0.145 29.541 29.700 -0.023 0.000 0.748 374 E HN 0.485 nan 8.360 nan 0.000 0.449 375 K N 0.425 120.814 120.400 -0.018 0.000 2.148 375 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 375 K C 2.199 178.801 176.600 0.004 0.000 1.050 375 K CA 0.898 57.185 56.287 -0.000 0.000 0.942 375 K CB -0.036 32.469 32.500 0.008 0.000 0.724 375 K HN -0.048 nan 8.250 nan 0.000 0.446 376 Q N 1.470 121.262 119.800 -0.013 0.000 2.230 376 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 376 Q C 1.195 177.198 176.000 0.005 0.000 0.963 376 Q CA 1.438 57.241 55.803 -0.000 0.000 0.866 376 Q CB 0.235 28.965 28.738 -0.012 0.000 0.931 376 Q HN 0.099 nan 8.270 nan 0.000 0.452 377 K N -0.922 119.467 120.400 -0.018 0.000 2.486 377 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 377 K C 1.395 178.002 176.600 0.012 0.000 1.033 377 K CA 0.751 57.030 56.287 -0.013 0.000 1.004 377 K CB 0.309 32.786 32.500 -0.039 0.000 0.798 377 K HN 0.057 nan 8.250 nan 0.000 0.495 378 S N 0.804 116.523 115.700 0.031 0.000 2.528 378 S HA 0.123 4.593 4.470 -0.000 0.000 0.219 378 S C 1.643 176.322 174.600 0.133 0.000 0.985 378 S CA 0.215 58.457 58.200 0.071 0.000 0.914 378 S CB 0.080 63.316 63.200 0.061 0.000 0.776 378 S HN 0.222 nan 8.310 nan 0.000 0.526 379 I N 1.323 121.958 120.570 0.107 0.000 2.353 379 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 379 I C 1.900 178.121 176.117 0.173 0.000 1.119 379 I CA 1.012 62.388 61.300 0.126 0.000 1.417 379 I CB -0.290 37.765 38.000 0.091 0.000 1.078 379 I HN 0.263 nan 8.210 nan 0.000 0.421 380 L N -0.187 121.141 121.223 0.176 0.000 2.046 380 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 380 L C 2.579 179.666 176.870 0.362 0.000 1.077 380 L CA 1.477 56.471 54.840 0.256 0.000 0.747 380 L CB -0.605 41.558 42.059 0.172 0.000 0.896 380 L HN 0.198 nan 8.230 nan 0.000 0.432 381 F N 1.228 121.270 119.950 0.154 0.000 2.146 381 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 381 F C 2.142 178.132 175.800 0.317 0.000 1.096 381 F CA 1.660 59.814 58.000 0.257 0.000 1.275 381 F CB -0.186 38.889 39.000 0.126 0.000 1.008 381 F HN 0.105 nan 8.300 nan 0.000 0.480 382 D N 0.462 121.031 120.400 0.282 0.000 2.144 382 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 382 D C 2.149 178.496 176.300 0.079 0.000 0.984 382 D CA 1.237 55.333 54.000 0.159 0.000 0.834 382 D CB -0.310 40.594 40.800 0.174 0.000 0.955 382 D HN 0.350 nan 8.370 nan 0.000 0.465 383 K N -0.227 120.258 120.400 0.141 0.000 2.057 383 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 383 K C 2.025 178.714 176.600 0.148 0.000 1.049 383 K CA 0.689 57.056 56.287 0.133 0.000 0.931 383 K CB -0.250 32.338 32.500 0.147 0.000 0.714 383 K HN 0.095 nan 8.250 nan 0.000 0.440 384 F N 1.515 121.476 119.950 0.018 0.000 2.075 384 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 384 F C 2.516 178.324 175.800 0.013 0.000 1.113 384 F CA 1.679 59.693 58.000 0.024 0.000 1.218 384 F CB -0.886 38.199 39.000 0.141 0.000 0.984 384 F HN -0.111 nan 8.300 nan 0.000 0.472 385 S N -0.741 114.662 115.700 -0.496 0.000 2.382 385 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 385 S C 2.017 176.492 174.600 -0.208 0.000 1.027 385 S CA 1.921 59.799 58.200 -0.538 0.000 0.991 385 S CB -0.702 62.178 63.200 -0.535 0.000 0.823 385 S HN 0.587 nan 8.310 nan 0.000 0.469 386 T N 0.383 114.877 114.554 -0.100 0.000 2.777 386 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 386 T C 1.424 176.088 174.700 -0.060 0.000 1.040 386 T CA 1.437 63.508 62.100 -0.048 0.000 1.141 386 T CB -0.530 68.337 68.868 -0.003 0.000 0.868 386 T HN 0.578 nan 8.240 nan 0.000 0.444 387 Y N 0.863 121.059 120.300 -0.173 0.000 2.165 387 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 387 Y C 1.453 177.137 175.900 -0.360 0.000 1.155 387 Y CA 1.182 59.116 58.100 -0.277 0.000 1.164 387 Y CB -0.423 37.822 38.460 -0.359 0.000 0.978 387 Y HN 0.317 nan 8.280 nan 0.000 0.513 388 Y N 1.306 121.510 120.300 -0.160 0.000 2.462 388 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 388 Y C 0.419 176.192 175.900 -0.213 0.000 1.195 388 Y CA -0.194 57.770 58.100 -0.227 0.000 1.276 388 Y CB -0.078 38.221 38.460 -0.269 0.000 1.082 388 Y HN -0.063 nan 8.280 nan 0.000 0.514 389 K N -0.219 120.123 120.400 -0.096 0.000 3.071 389 K HA -0.269 4.050 4.320 -0.000 0.000 0.262 389 K C 1.108 177.677 176.600 -0.052 0.000 0.977 389 K CA 0.903 57.144 56.287 -0.078 0.000 0.721 389 K CB -2.188 30.263 32.500 -0.082 0.000 1.293 389 K HN 0.772 nan 8.250 nan 0.000 0.475 390 G N 0.196 108.958 108.800 -0.063 0.000 2.179 390 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 390 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 390 G C -0.062 174.806 174.900 -0.053 0.000 0.977 390 G CA 0.370 45.440 45.100 -0.049 0.000 0.641 390 G HN 0.494 nan 8.290 nan 0.000 0.533 391 N N 0.128 118.787 118.700 -0.067 0.000 2.801 391 N HA 0.471 5.211 4.740 -0.000 0.000 0.235 391 N C 1.052 176.455 175.510 -0.179 0.000 1.069 391 N CA 0.234 53.236 53.050 -0.079 0.000 0.946 391 N CB 0.858 39.316 38.487 -0.049 0.000 1.212 391 N HN 0.782 nan 8.380 nan 0.000 0.509 392 V N -0.010 119.799 119.914 -0.176 0.000 3.411 392 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 392 V C 0.615 176.696 176.094 -0.022 0.000 1.543 392 V CA -0.362 61.793 62.300 -0.242 0.000 1.028 392 V CB -0.958 30.570 31.823 -0.493 0.000 0.840 392 V HN 0.391 nan 8.190 nan 0.000 0.435 393 Q N 2.108 121.914 119.800 0.009 0.000 2.269 393 Q HA 0.386 4.726 4.340 -0.000 0.000 0.300 393 Q C 1.368 177.387 176.000 0.033 0.000 1.070 393 Q CA 1.962 57.794 55.803 0.048 0.000 0.957 393 Q CB 0.090 28.845 28.738 0.029 0.000 1.131 393 Q HN 1.301 nan 8.270 nan 0.000 0.377 394 G N 3.380 112.216 108.800 0.060 0.000 2.162 394 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 394 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 394 G C 0.008 174.931 174.900 0.040 0.000 0.976 394 G CA 0.300 45.425 45.100 0.042 0.000 0.655 394 G HN 0.610 nan 8.290 nan 0.000 0.533 395 R N -0.819 119.721 120.500 0.066 0.000 2.637 395 R HA 0.491 4.831 4.340 -0.000 0.000 0.269 395 R C 0.557 176.899 176.300 0.070 0.000 1.089 395 R CA 0.157 56.288 56.100 0.051 0.000 1.177 395 R CB 0.864 31.199 30.300 0.057 0.000 1.091 395 R HN 0.368 nan 8.270 nan 0.000 0.540 396 C N 2.905 122.228 119.300 0.038 0.000 2.330 396 C HA 0.625 5.085 4.460 -0.000 0.000 0.344 396 C C 0.062 175.061 174.990 0.015 0.000 1.273 396 C CA -0.303 58.730 59.018 0.025 0.000 1.879 396 C CB -0.421 27.326 27.740 0.012 0.000 2.376 396 C HN 0.583 nan 8.230 nan 0.000 0.534 397 V N 3.665 123.579 119.914 -0.001 0.000 3.102 397 V HA 1.015 5.135 4.120 -0.000 0.000 0.312 397 V C -0.215 175.873 176.094 -0.010 0.000 1.135 397 V CA -0.425 61.854 62.300 -0.036 0.000 1.022 397 V CB 1.392 33.185 31.823 -0.050 0.000 1.056 397 V HN 1.339 nan 8.190 nan 0.000 0.436 398 A N 2.577 125.378 122.820 -0.032 0.000 2.374 398 A HA 0.952 5.272 4.320 -0.000 0.000 0.317 398 A C -0.827 176.770 177.584 0.022 0.000 1.094 398 A CA -0.800 51.222 52.037 -0.024 0.000 0.765 398 A CB 1.311 20.247 19.000 -0.107 0.000 1.268 398 A HN 0.961 nan 8.150 nan 0.000 0.438 399 I N 1.205 121.814 120.570 0.066 0.000 2.466 399 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 399 I C -1.342 174.901 176.117 0.210 0.000 1.026 399 I CA -0.327 61.036 61.300 0.104 0.000 1.078 399 I CB 1.699 39.740 38.000 0.067 0.000 1.249 399 I HN 0.618 nan 8.210 nan 0.000 0.429 400 W N 5.262 126.487 121.300 -0.125 0.000 2.291 400 W HA 0.627 5.287 4.660 -0.000 0.000 0.312 400 W C 0.595 176.987 176.519 -0.212 0.000 1.061 400 W CA -0.941 56.152 57.345 -0.420 0.000 1.296 400 W CB 0.935 29.786 29.460 -1.016 0.000 1.223 400 W HN 0.689 nan 8.180 nan 0.000 0.421 401 G N 3.059 112.030 108.800 0.284 0.000 3.444 401 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.685 401 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.685 401 G C -0.419 174.602 174.900 0.201 0.000 1.145 401 G CA -0.731 44.604 45.100 0.393 0.000 0.973 401 G HN 0.499 nan 8.290 nan 0.000 0.525 402 L N 1.461 122.797 121.223 0.188 0.000 2.694 402 L HA 0.240 4.580 4.340 -0.000 0.000 0.228 402 L C 2.011 178.953 176.870 0.121 0.000 1.048 402 L CA 0.549 55.456 54.840 0.112 0.000 0.887 402 L CB -0.302 41.800 42.059 0.070 0.000 1.265 402 L HN 0.821 nan 8.230 nan 0.000 0.492 403 S N 0.851 116.649 115.700 0.165 0.000 2.572 403 S HA -0.050 4.420 4.470 -0.000 0.000 0.267 403 S C 0.964 175.588 174.600 0.041 0.000 1.361 403 S CA -0.260 58.006 58.200 0.110 0.000 1.009 403 S CB 0.216 63.479 63.200 0.104 0.000 0.888 403 S HN 0.321 nan 8.310 nan 0.000 0.553 404 F N 0.169 120.105 119.950 -0.024 0.000 2.365 404 F HA 0.248 4.775 4.527 -0.000 0.000 0.300 404 F C 0.574 176.312 175.800 -0.103 0.000 1.090 404 F CA 0.301 58.272 58.000 -0.048 0.000 1.408 404 F CB -0.371 38.605 39.000 -0.040 0.000 1.060 404 F HN 0.777 nan 8.300 nan 0.000 0.534 405 K N -1.054 118.836 120.400 -0.849 0.000 2.578 405 K HA 0.550 4.870 4.320 -0.000 0.000 0.287 405 K C -3.415 172.653 176.600 -0.887 0.000 1.010 405 K CA -2.281 53.538 56.287 -0.780 0.000 0.889 405 K CB 1.203 33.181 32.500 -0.870 0.000 1.514 405 K HN -0.325 nan 8.250 nan 0.000 0.424 406 P HA 0.166 nan 4.420 nan 0.000 0.274 406 P C 0.168 176.718 177.300 -1.250 0.000 1.231 406 P CA 0.675 62.810 63.100 -1.609 0.000 0.790 406 P CB 0.745 31.713 31.700 -1.220 0.000 0.951 407 G N -0.948 106.924 108.800 -1.548 0.000 2.132 407 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.228 407 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.228 407 G C 0.092 174.877 174.900 -0.191 0.000 1.000 407 G CA 0.223 45.014 45.100 -0.514 0.000 0.693 407 G HN 0.883 nan 8.290 nan 0.000 0.515 408 T N -1.011 113.469 114.554 -0.124 0.000 2.840 408 T HA 0.485 4.835 4.350 -0.000 0.000 0.317 408 T C 0.336 175.079 174.700 0.071 0.000 1.401 408 T CA 0.612 62.717 62.100 0.008 0.000 1.028 408 T CB 1.260 70.056 68.868 -0.120 0.000 1.317 408 T HN 0.250 nan 8.240 nan 0.000 0.495 409 D N 1.014 121.437 120.400 0.038 0.000 2.340 409 D HA 0.070 4.710 4.640 -0.000 0.000 0.220 409 D C 0.310 176.653 176.300 0.072 0.000 1.039 409 D CA -0.117 53.863 54.000 -0.034 0.000 0.866 409 D CB -0.015 40.709 40.800 -0.127 0.000 0.913 409 D HN 0.430 nan 8.370 nan 0.000 0.523 410 D N 0.688 121.171 120.400 0.137 0.000 2.417 410 D HA 0.053 4.693 4.640 -0.000 0.000 0.250 410 D C 0.449 176.924 176.300 0.292 0.000 1.166 410 D CA 0.064 54.199 54.000 0.224 0.000 0.881 410 D CB 0.868 41.865 40.800 0.329 0.000 1.164 410 D HN 0.033 nan 8.370 nan 0.000 0.467 411 M N 2.711 122.425 119.600 0.190 0.000 2.405 411 M HA 0.166 4.646 4.480 -0.000 0.000 0.292 411 M C 0.444 176.807 176.300 0.105 0.000 1.111 411 M CA -0.391 55.008 55.300 0.165 0.000 0.979 411 M CB 0.539 33.201 32.600 0.102 0.000 1.426 411 M HN 0.051 nan 8.290 nan 0.000 0.509 412 R N 2.309 122.842 120.500 0.054 0.000 2.502 412 R HA -0.035 4.305 4.340 -0.000 0.000 0.292 412 R C 0.256 176.516 176.300 -0.068 0.000 0.998 412 R CA 0.372 56.454 56.100 -0.030 0.000 1.056 412 R CB 0.110 30.363 30.300 -0.078 0.000 0.939 412 R HN 0.202 nan 8.270 nan 0.000 0.411 413 E N -1.013 119.173 120.200 -0.024 0.000 2.883 413 E HA -0.237 4.112 4.350 -0.000 0.000 0.271 413 E C -0.500 176.111 176.600 0.018 0.000 1.049 413 E CA 1.242 57.634 56.400 -0.013 0.000 0.817 413 E CB -1.552 28.134 29.700 -0.023 0.000 1.407 413 E HN 0.756 nan 8.360 nan 0.000 0.434 414 A N 0.555 123.407 122.820 0.054 0.000 2.462 414 A HA 0.325 4.645 4.320 -0.000 0.000 0.243 414 A C -0.993 176.621 177.584 0.051 0.000 1.076 414 A CA -0.665 51.433 52.037 0.102 0.000 0.773 414 A CB 0.354 19.428 19.000 0.123 0.000 1.010 414 A HN -0.146 nan 8.150 nan 0.000 0.493 415 P HA -0.152 nan 4.420 nan 0.000 0.220 415 P C 1.725 179.019 177.300 -0.011 0.000 1.148 415 P CA 1.757 64.863 63.100 0.010 0.000 0.803 415 P CB 0.023 31.730 31.700 0.012 0.000 0.782 416 S N -0.486 115.216 115.700 0.003 0.000 2.383 416 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 416 S C 1.906 176.484 174.600 -0.037 0.000 1.030 416 S CA 1.236 59.423 58.200 -0.021 0.000 1.002 416 S CB -1.687 61.522 63.200 0.014 0.000 0.829 416 S HN 0.109 nan 8.310 nan 0.000 0.467 417 L N 0.841 122.057 121.223 -0.012 0.000 2.156 417 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 417 L C 2.656 179.502 176.870 -0.041 0.000 1.095 417 L CA 0.687 55.516 54.840 -0.018 0.000 0.770 417 L CB -0.499 41.561 42.059 0.002 0.000 0.914 417 L HN 0.254 nan 8.230 nan 0.000 0.439 418 V N -0.191 119.698 119.914 -0.043 0.000 2.358 418 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 418 V C 2.332 178.376 176.094 -0.084 0.000 1.047 418 V CA 1.495 63.762 62.300 -0.056 0.000 1.035 418 V CB -0.368 31.430 31.823 -0.042 0.000 0.658 418 V HN 0.320 nan 8.190 nan 0.000 0.452 419 L N 0.159 121.323 121.223 -0.098 0.000 1.994 419 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 419 L C 2.200 178.975 176.870 -0.159 0.000 1.071 419 L CA 1.948 56.695 54.840 -0.155 0.000 0.745 419 L CB -0.539 41.352 42.059 -0.279 0.000 0.892 419 L HN 0.205 nan 8.230 nan 0.000 0.431 420 I N -0.387 120.102 120.570 -0.135 0.000 2.163 420 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 420 I C 2.481 178.546 176.117 -0.087 0.000 1.085 420 I CA 1.179 62.416 61.300 -0.105 0.000 1.347 420 I CB -0.492 37.464 38.000 -0.073 0.000 1.044 420 I HN 0.323 nan 8.210 nan 0.000 0.408 421 E N 0.747 120.896 120.200 -0.085 0.000 2.085 421 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 421 E C 2.056 178.579 176.600 -0.128 0.000 0.994 421 E CA 1.352 57.701 56.400 -0.085 0.000 0.801 421 E CB -0.289 29.369 29.700 -0.071 0.000 0.743 421 E HN 0.293 nan 8.360 nan 0.000 0.453 422 K N 0.980 121.262 120.400 -0.198 0.000 2.057 422 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 422 K C 2.226 178.647 176.600 -0.299 0.000 1.050 422 K CA 0.665 56.727 56.287 -0.375 0.000 0.935 422 K CB -0.393 31.709 32.500 -0.663 0.000 0.715 422 K HN 0.052 nan 8.250 nan 0.000 0.439 423 L N 0.277 121.440 121.223 -0.101 0.000 2.083 423 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 423 L C 2.186 179.083 176.870 0.045 0.000 1.083 423 L CA 1.065 55.962 54.840 0.096 0.000 0.752 423 L CB -0.380 41.716 42.059 0.062 0.000 0.899 423 L HN 0.170 nan 8.230 nan 0.000 0.433 424 L N -0.778 120.434 121.223 -0.018 0.000 2.217 424 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 424 L C 2.326 179.187 176.870 -0.015 0.000 1.107 424 L CA 0.962 55.794 54.840 -0.013 0.000 0.783 424 L CB -0.433 41.610 42.059 -0.026 0.000 0.919 424 L HN 0.277 nan 8.230 nan 0.000 0.442 425 E N -0.114 120.058 120.200 -0.047 0.000 2.204 425 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 425 E C 1.632 178.225 176.600 -0.012 0.000 0.989 425 E CA 1.256 57.628 56.400 -0.046 0.000 0.824 425 E CB 0.166 29.810 29.700 -0.093 0.000 0.756 425 E HN 0.464 nan 8.360 nan 0.000 0.477 426 V N -3.501 116.427 119.914 0.024 0.000 3.271 426 V HA 0.459 4.579 4.120 -0.000 0.000 0.327 426 V C 1.004 177.150 176.094 0.086 0.000 1.389 426 V CA 0.172 62.520 62.300 0.079 0.000 1.156 426 V CB -0.111 31.818 31.823 0.176 0.000 1.103 426 V HN 0.203 nan 8.190 nan 0.000 0.453 427 G N 0.058 108.892 108.800 0.057 0.000 2.198 427 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 427 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 427 G C 0.265 175.200 174.900 0.059 0.000 1.025 427 G CA 0.138 45.265 45.100 0.045 0.000 0.769 427 G HN 0.726 nan 8.290 nan 0.000 0.507 428 C N -0.301 119.052 119.300 0.090 0.000 2.676 428 C HA 0.501 4.961 4.460 -0.000 0.000 0.416 428 C C 1.346 176.363 174.990 0.044 0.000 1.299 428 C CA -0.433 58.642 59.018 0.094 0.000 2.048 428 C CB 0.634 28.467 27.740 0.155 0.000 2.713 428 C HN 0.658 nan 8.230 nan 0.000 0.624 429 R N 1.648 122.169 120.500 0.034 0.000 2.196 429 R HA 0.487 4.827 4.340 -0.000 0.000 0.340 429 R C -1.332 174.967 176.300 -0.003 0.000 1.043 429 R CA -0.126 55.979 56.100 0.007 0.000 0.883 429 R CB 0.331 30.635 30.300 0.007 0.000 1.078 429 R HN 0.650 nan 8.270 nan 0.000 0.462 430 V N 6.351 126.248 119.914 -0.028 0.000 2.347 430 V HA 0.380 4.500 4.120 -0.000 0.000 0.280 430 V C 0.087 176.143 176.094 -0.063 0.000 1.021 430 V CA -0.698 61.578 62.300 -0.040 0.000 0.847 430 V CB 1.402 33.191 31.823 -0.056 0.000 0.990 430 V HN 0.762 nan 8.190 nan 0.000 0.444 431 R N 3.625 124.108 120.500 -0.028 0.000 2.255 431 R HA 0.644 4.984 4.340 -0.000 0.000 0.326 431 R C -0.528 175.786 176.300 0.023 0.000 0.986 431 R CA -0.466 55.624 56.100 -0.016 0.000 0.847 431 R CB 1.810 32.123 30.300 0.021 0.000 1.111 431 R HN 0.659 nan 8.270 nan 0.000 0.452 432 V N 0.765 120.683 119.914 0.007 0.000 2.769 432 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 432 V C -1.164 175.068 176.094 0.231 0.000 1.058 432 V CA -0.894 61.461 62.300 0.091 0.000 0.952 432 V CB 1.657 33.493 31.823 0.021 0.000 1.019 432 V HN 0.755 nan 8.190 nan 0.000 0.445 433 Y N 2.041 122.424 120.300 0.139 0.000 2.441 433 Y HA 0.716 5.266 4.550 -0.000 0.000 0.334 433 Y C -1.348 174.626 175.900 0.123 0.000 1.061 433 Y CA -0.788 57.384 58.100 0.119 0.000 1.032 433 Y CB 1.960 40.483 38.460 0.106 0.000 1.266 433 Y HN 1.021 nan 8.280 nan 0.000 0.441 434 D N 7.201 126.990 120.400 -1.017 0.000 2.947 434 D HA 0.315 4.955 4.640 -0.000 0.000 0.224 434 D C -2.438 173.025 176.300 -1.394 0.000 1.230 434 D CA -1.978 51.434 54.000 -0.980 0.000 0.871 434 D CB 3.496 44.054 40.800 -0.403 0.000 1.671 434 D HN 0.313 nan 8.370 nan 0.000 0.507 435 P HA -0.028 nan 4.420 nan 0.000 0.222 435 P C 1.074 177.897 177.300 -0.794 0.000 1.147 435 P CA 0.634 63.108 63.100 -1.044 0.000 0.790 435 P CB 0.844 31.834 31.700 -1.184 0.000 0.780 436 V N -1.624 117.768 119.914 -0.870 0.000 3.368 436 V HA 0.275 4.395 4.120 -0.000 0.000 0.255 436 V C 1.867 177.603 176.094 -0.598 0.000 1.466 436 V CA 0.855 62.720 62.300 -0.725 0.000 1.095 436 V CB -0.113 31.271 31.823 -0.732 0.000 0.899 436 V HN -0.015 nan 8.190 nan 0.000 0.440 437 A N -0.689 121.891 122.820 -0.399 0.000 2.345 437 A HA 0.272 4.592 4.320 -0.000 0.000 0.225 437 A C 1.796 179.294 177.584 -0.144 0.000 1.243 437 A CA 0.176 52.083 52.037 -0.218 0.000 0.875 437 A CB -0.306 18.654 19.000 -0.067 0.000 0.929 437 A HN 0.404 nan 8.150 nan 0.000 0.502 438 M N -0.516 118.978 119.600 -0.176 0.000 2.229 438 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 438 M C 1.885 178.086 176.300 -0.164 0.000 1.063 438 M CA 1.367 56.606 55.300 -0.101 0.000 1.114 438 M CB -0.216 32.338 32.600 -0.077 0.000 1.387 438 M HN 0.362 nan 8.290 nan 0.000 0.420 439 K N -0.013 120.297 120.400 -0.150 0.000 2.025 439 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 439 K C 1.879 178.430 176.600 -0.081 0.000 1.049 439 K CA 1.409 57.619 56.287 -0.128 0.000 0.933 439 K CB -0.162 32.298 32.500 -0.066 0.000 0.714 439 K HN 0.124 nan 8.250 nan 0.000 0.438 440 E N 1.327 121.500 120.200 -0.045 0.000 2.085 440 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 440 E C 1.751 178.357 176.600 0.010 0.000 0.994 440 E CA 1.575 57.972 56.400 -0.005 0.000 0.801 440 E CB -0.163 29.546 29.700 0.014 0.000 0.743 440 E HN 0.288 nan 8.360 nan 0.000 0.453 441 A N 0.601 123.433 122.820 0.020 0.000 1.902 441 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 441 A C 2.251 179.912 177.584 0.128 0.000 1.181 441 A CA 1.675 53.774 52.037 0.103 0.000 0.623 441 A CB -0.679 18.436 19.000 0.192 0.000 0.818 441 A HN 0.387 nan 8.150 nan 0.000 0.443 442 Q N 0.014 119.799 119.800 -0.026 0.000 2.167 442 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 442 Q C 2.086 178.081 176.000 -0.008 0.000 0.970 442 Q CA 1.844 57.590 55.803 -0.095 0.000 0.855 442 Q CB -0.180 28.266 28.738 -0.486 0.000 0.911 442 Q HN 0.746 nan 8.270 nan 0.000 0.438 443 K N 0.093 120.484 120.400 -0.016 0.000 2.097 443 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 443 K C 2.015 178.632 176.600 0.029 0.000 1.049 443 K CA 1.221 57.511 56.287 0.005 0.000 0.933 443 K CB 0.093 32.595 32.500 0.003 0.000 0.717 443 K HN 0.109 nan 8.250 nan 0.000 0.442 444 R N -0.423 120.104 120.500 0.045 0.000 2.112 444 R HA 0.105 4.445 4.340 -0.000 0.000 0.216 444 R C 1.937 178.272 176.300 0.058 0.000 1.080 444 R CA 0.787 56.916 56.100 0.048 0.000 0.996 444 R CB 0.189 30.518 30.300 0.049 0.000 0.902 444 R HN 0.187 nan 8.270 nan 0.000 0.449 445 L N -1.132 120.147 121.223 0.094 0.000 2.672 445 L HA 0.309 4.648 4.340 -0.000 0.000 0.236 445 L C 1.253 178.195 176.870 0.120 0.000 1.092 445 L CA 0.143 55.043 54.840 0.100 0.000 0.887 445 L CB 0.295 42.421 42.059 0.113 0.000 1.168 445 L HN 0.319 nan 8.230 nan 0.000 0.502 446 G N 1.277 110.164 108.800 0.145 0.000 2.634 446 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.309 446 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.309 446 G C 0.233 175.262 174.900 0.216 0.000 1.265 446 G CA 0.581 45.764 45.100 0.139 0.000 0.998 446 G HN 0.308 nan 8.290 nan 0.000 0.551 447 D N 1.084 121.564 120.400 0.134 0.000 2.328 447 D HA 0.119 4.759 4.640 -0.000 0.000 0.226 447 D C 2.115 178.444 176.300 0.049 0.000 1.066 447 D CA 0.256 54.327 54.000 0.117 0.000 0.861 447 D CB 0.217 41.064 40.800 0.078 0.000 0.912 447 D HN 0.288 nan 8.370 nan 0.000 0.521 448 K N 0.438 120.857 120.400 0.032 0.000 2.288 448 K HA 0.014 4.334 4.320 -0.000 0.000 0.201 448 K C 1.096 177.657 176.600 -0.065 0.000 1.048 448 K CA 0.319 56.600 56.287 -0.009 0.000 0.956 448 K CB 0.366 32.867 32.500 0.001 0.000 0.746 448 K HN 0.208 nan 8.250 nan 0.000 0.461 449 V N -1.869 117.954 119.914 -0.152 0.000 3.046 449 V HA 0.427 4.547 4.120 -0.000 0.000 0.316 449 V C -0.620 175.214 176.094 -0.433 0.000 1.104 449 V CA -1.141 60.992 62.300 -0.279 0.000 1.006 449 V CB 2.281 33.897 31.823 -0.346 0.000 1.058 449 V HN -0.033 nan 8.190 nan 0.000 0.440 450 E N 1.337 121.330 120.200 -0.346 0.000 2.146 450 E HA 0.427 4.777 4.350 -0.000 0.000 0.282 450 E C -1.686 174.709 176.600 -0.342 0.000 0.989 450 E CA -0.326 55.918 56.400 -0.259 0.000 0.799 450 E CB 1.381 31.029 29.700 -0.088 0.000 1.088 450 E HN 0.706 nan 8.360 nan 0.000 0.397 451 Y N 1.345 121.675 120.300 0.049 0.000 2.308 451 Y HA 0.220 4.770 4.550 -0.000 0.000 0.329 451 Y C 1.028 176.975 175.900 0.078 0.000 1.111 451 Y CA -0.507 57.631 58.100 0.062 0.000 1.179 451 Y CB 1.353 39.839 38.460 0.042 0.000 1.201 451 Y HN 0.395 nan 8.280 nan 0.000 0.483 452 T N -3.296 111.412 114.554 0.256 0.000 2.926 452 T HA 0.325 4.675 4.350 -0.000 0.000 0.289 452 T C 0.883 175.697 174.700 0.191 0.000 1.054 452 T CA -0.222 61.987 62.100 0.182 0.000 1.015 452 T CB 1.481 70.437 68.868 0.146 0.000 1.167 452 T HN 0.641 nan 8.240 nan 0.000 0.526 453 T N -1.801 112.799 114.554 0.078 0.000 3.035 453 T HA 0.255 4.605 4.350 -0.000 0.000 0.259 453 T C 0.233 174.861 174.700 -0.119 0.000 1.078 453 T CA 1.008 63.128 62.100 0.034 0.000 1.132 453 T CB -0.762 68.112 68.868 0.009 0.000 0.900 453 T HN 0.992 nan 8.240 nan 0.000 0.480 454 D N -0.703 119.458 120.400 -0.399 0.000 2.713 454 D HA 0.273 4.913 4.640 -0.000 0.000 0.306 454 D C 1.293 176.994 176.300 -0.998 0.000 1.299 454 D CA -0.660 52.755 54.000 -0.974 0.000 0.823 454 D CB 0.478 41.035 40.800 -0.406 0.000 1.353 454 D HN 0.060 nan 8.370 nan 0.000 0.447 455 M N -1.008 117.945 119.600 -1.078 0.000 2.149 455 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 455 M C 0.794 176.916 176.300 -0.296 0.000 1.064 455 M CA 1.345 56.182 55.300 -0.771 0.000 1.102 455 M CB -0.752 31.084 32.600 -1.274 0.000 1.369 455 M HN 0.457 nan 8.290 nan 0.000 0.408 456 Y N 1.219 121.464 120.300 -0.092 0.000 2.263 456 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 456 Y C 2.322 178.240 175.900 0.030 0.000 1.130 456 Y CA 1.719 59.835 58.100 0.027 0.000 1.179 456 Y CB -0.781 37.660 38.460 -0.031 0.000 0.998 456 Y HN 0.363 nan 8.280 nan 0.000 0.532 457 D N 0.086 120.542 120.400 0.092 0.000 2.123 457 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 457 D C 2.250 178.602 176.300 0.085 0.000 0.992 457 D CA 1.369 55.408 54.000 0.065 0.000 0.833 457 D CB -0.249 40.561 40.800 0.017 0.000 0.954 457 D HN 0.232 nan 8.370 nan 0.000 0.455 458 A N 0.074 122.957 122.820 0.105 0.000 1.917 458 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 458 A C 2.382 180.038 177.584 0.121 0.000 1.182 458 A CA 2.423 54.559 52.037 0.165 0.000 0.633 458 A CB -0.980 18.221 19.000 0.334 0.000 0.819 458 A HN 0.391 nan 8.150 nan 0.000 0.448 459 V N -2.779 117.212 119.914 0.128 0.000 3.623 459 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 459 V C 0.740 176.866 176.094 0.053 0.000 1.248 459 V CA -0.090 62.241 62.300 0.052 0.000 1.156 459 V CB -1.023 30.821 31.823 0.034 0.000 0.870 459 V HN 0.405 nan 8.190 nan 0.000 0.453 460 R N 1.823 122.365 120.500 0.070 0.000 2.473 460 R HA 0.345 4.685 4.340 -0.000 0.000 0.315 460 R C 1.460 177.781 176.300 0.035 0.000 0.972 460 R CA 0.870 57.003 56.100 0.056 0.000 1.047 460 R CB -0.174 30.159 30.300 0.055 0.000 0.932 460 R HN 0.735 nan 8.270 nan 0.000 0.411 461 G N 1.639 110.456 108.800 0.027 0.000 2.162 461 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 461 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 461 G C 0.281 175.186 174.900 0.009 0.000 0.976 461 G CA 0.104 45.214 45.100 0.017 0.000 0.655 461 G HN 0.850 nan 8.290 nan 0.000 0.533 462 A N -0.187 122.635 122.820 0.002 0.000 2.425 462 A HA 0.654 4.973 4.320 -0.000 0.000 0.249 462 A C 0.946 178.524 177.584 -0.010 0.000 1.084 462 A CA 0.780 52.807 52.037 -0.017 0.000 0.781 462 A CB 0.312 19.282 19.000 -0.051 0.000 1.019 462 A HN 0.490 nan 8.150 nan 0.000 0.490 463 E N 0.380 120.585 120.200 0.010 0.000 2.481 463 E HA 0.396 4.746 4.350 -0.000 0.000 0.198 463 E C 0.104 176.787 176.600 0.138 0.000 1.027 463 E CA 0.609 57.060 56.400 0.085 0.000 0.900 463 E CB 0.499 30.243 29.700 0.073 0.000 0.993 463 E HN 0.754 nan 8.360 nan 0.000 0.482 464 A N 1.213 124.000 122.820 -0.055 0.000 2.594 464 A HA 0.519 4.839 4.320 -0.000 0.000 0.296 464 A C -2.061 175.260 177.584 -0.439 0.000 1.061 464 A CA -0.764 51.108 52.037 -0.277 0.000 0.689 464 A CB 1.300 20.020 19.000 -0.466 0.000 1.280 464 A HN 0.078 nan 8.150 nan 0.000 0.406 465 L N 1.724 122.639 121.223 -0.514 0.000 2.325 465 L HA 0.852 5.192 4.340 -0.000 0.000 0.281 465 L C -1.778 174.729 176.870 -0.604 0.000 1.004 465 L CA -0.515 54.002 54.840 -0.539 0.000 0.823 465 L CB 0.527 42.242 42.059 -0.574 0.000 1.236 465 L HN 0.487 nan 8.230 nan 0.000 0.415 466 F N 4.317 124.107 119.950 -0.268 0.000 2.405 466 F HA 0.346 4.873 4.527 -0.000 0.000 0.355 466 F C 0.450 176.195 175.800 -0.092 0.000 1.121 466 F CA -0.337 57.578 58.000 -0.143 0.000 1.112 466 F CB 0.762 39.688 39.000 -0.123 0.000 1.126 466 F HN 0.490 nan 8.300 nan 0.000 0.481 467 H N 4.351 123.475 119.070 0.089 0.000 2.741 467 H HA 0.351 4.907 4.556 -0.000 0.000 0.282 467 H C -0.244 175.170 175.328 0.144 0.000 1.122 467 H CA -0.203 55.923 56.048 0.130 0.000 1.293 467 H CB 1.224 31.137 29.762 0.253 0.000 1.415 467 H HN 0.605 nan 8.280 nan 0.000 0.472 468 V N 3.872 123.695 119.914 -0.152 0.000 3.212 468 V HA 0.052 4.172 4.120 -0.000 0.000 0.244 468 V C 0.576 176.566 176.094 -0.173 0.000 1.151 468 V CA 0.894 63.134 62.300 -0.099 0.000 1.119 468 V CB 0.770 32.591 31.823 -0.002 0.000 0.838 468 V HN 0.670 nan 8.190 nan 0.000 0.470 469 T N 1.766 116.225 114.554 -0.159 0.000 2.881 469 T HA 0.246 4.595 4.350 -0.000 0.000 0.291 469 T C 0.023 174.708 174.700 -0.026 0.000 0.990 469 T CA -0.385 61.656 62.100 -0.099 0.000 0.976 469 T CB 1.502 70.398 68.868 0.046 0.000 0.970 469 T HN 0.404 nan 8.240 nan 0.000 0.438 470 E N 2.921 123.035 120.200 -0.144 0.000 2.594 470 E HA -0.010 4.340 4.350 -0.000 0.000 0.300 470 E C -0.682 175.974 176.600 0.092 0.000 1.568 470 E CA -0.596 55.861 56.400 0.096 0.000 1.811 470 E CB -0.242 29.466 29.700 0.012 0.000 1.458 470 E HN 0.593 nan 8.360 nan 0.000 0.470 471 W N 1.594 122.921 121.300 0.046 0.000 2.274 471 W HA 0.017 4.677 4.660 -0.000 0.000 0.345 471 W C 1.626 177.992 176.519 -0.255 0.000 1.265 471 W CA -0.087 57.114 57.345 -0.240 0.000 1.293 471 W CB 0.662 29.770 29.460 -0.587 0.000 1.175 471 W HN 0.175 nan 8.180 nan 0.000 0.577 472 K N 1.269 121.691 120.400 0.036 0.000 2.209 472 K HA -0.217 4.103 4.320 -0.000 0.000 0.204 472 K C 1.859 178.415 176.600 -0.073 0.000 1.048 472 K CA 1.749 58.028 56.287 -0.013 0.000 0.940 472 K CB -0.048 32.446 32.500 -0.010 0.000 0.729 472 K HN 0.640 nan 8.250 nan 0.000 0.451 473 E N 0.253 120.323 120.200 -0.217 0.000 2.338 473 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 473 E C 1.041 177.517 176.600 -0.206 0.000 1.007 473 E CA 0.857 57.104 56.400 -0.254 0.000 0.849 473 E CB -0.194 29.308 29.700 -0.331 0.000 0.774 473 E HN 0.211 nan 8.360 nan 0.000 0.506 474 F N 1.063 120.975 119.950 -0.063 0.000 2.748 474 F HA 0.197 4.723 4.527 -0.000 0.000 0.299 474 F C 2.233 178.058 175.800 0.042 0.000 1.154 474 F CA 0.032 57.967 58.000 -0.109 0.000 1.446 474 F CB -0.374 38.725 39.000 0.165 0.000 1.112 474 F HN -0.022 nan 8.300 nan 0.000 0.584 475 R N 0.636 121.244 120.500 0.179 0.000 2.115 475 R HA 0.036 4.376 4.340 -0.000 0.000 0.230 475 R C 0.557 176.984 176.300 0.212 0.000 1.111 475 R CA 1.258 57.459 56.100 0.168 0.000 0.976 475 R CB -0.265 30.082 30.300 0.079 0.000 0.870 475 R HN 0.175 nan 8.270 nan 0.000 0.445 476 M N 1.603 121.265 119.600 0.104 0.000 2.746 476 M HA 0.324 4.804 4.480 -0.000 0.000 0.209 476 M C -2.248 174.014 176.300 -0.064 0.000 1.077 476 M CA -1.792 53.544 55.300 0.060 0.000 0.695 476 M CB 1.813 34.446 32.600 0.055 0.000 1.416 476 M HN -0.141 nan 8.290 nan 0.000 0.459 477 P HA 0.141 nan 4.420 nan 0.000 0.276 477 P C -0.723 176.310 177.300 -0.445 0.000 1.244 477 P CA -0.223 62.624 63.100 -0.423 0.000 0.801 477 P CB 0.725 31.933 31.700 -0.821 0.000 1.006 478 D N 0.835 121.167 120.400 -0.112 0.000 2.402 478 D HA 0.034 4.674 4.640 -0.000 0.000 0.235 478 D C 0.517 176.785 176.300 -0.053 0.000 1.226 478 D CA -0.219 53.751 54.000 -0.050 0.000 0.918 478 D CB -0.197 40.594 40.800 -0.014 0.000 1.043 478 D HN 0.273 nan 8.370 nan 0.000 0.506 479 W N 2.185 123.495 121.300 0.017 0.000 2.363 479 W HA -0.168 4.492 4.660 -0.000 0.000 0.296 479 W C 2.571 179.175 176.519 0.142 0.000 1.212 479 W CA 0.392 57.709 57.345 -0.046 0.000 1.260 479 W CB -0.317 29.058 29.460 -0.141 0.000 1.131 479 W HN 0.320 nan 8.180 nan 0.000 0.530 480 S N 0.578 116.462 115.700 0.307 0.000 2.353 480 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 480 S C 2.051 176.761 174.600 0.183 0.000 1.035 480 S CA 1.718 60.049 58.200 0.218 0.000 1.025 480 S CB -1.076 62.203 63.200 0.132 0.000 0.902 480 S HN 0.302 nan 8.310 nan 0.000 0.440 481 A N 1.425 124.325 122.820 0.133 0.000 1.902 481 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 481 A C 2.157 179.867 177.584 0.210 0.000 1.181 481 A CA 1.217 53.315 52.037 0.102 0.000 0.623 481 A CB -0.805 18.169 19.000 -0.044 0.000 0.818 481 A HN 0.449 nan 8.150 nan 0.000 0.443 482 L N -0.545 120.854 121.223 0.293 0.000 2.042 482 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 482 L C 2.943 180.030 176.870 0.362 0.000 1.076 482 L CA 1.638 56.676 54.840 0.332 0.000 0.749 482 L CB -0.504 41.703 42.059 0.246 0.000 0.893 482 L HN 0.542 nan 8.230 nan 0.000 0.432 483 S N -0.869 115.083 115.700 0.420 0.000 2.383 483 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 483 S C 2.007 176.659 174.600 0.086 0.000 1.026 483 S CA 1.277 59.598 58.200 0.201 0.000 0.981 483 S CB -0.121 63.206 63.200 0.213 0.000 0.818 483 S HN 0.415 nan 8.310 nan 0.000 0.472 484 Q N 0.006 119.871 119.800 0.109 0.000 2.079 484 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 484 Q C 2.249 178.285 176.000 0.060 0.000 0.974 484 Q CA 1.385 57.227 55.803 0.065 0.000 0.840 484 Q CB -0.385 28.388 28.738 0.058 0.000 0.898 484 Q HN 0.708 nan 8.270 nan 0.000 0.430 485 A N 0.314 123.188 122.820 0.090 0.000 1.929 485 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 485 A C 1.255 178.876 177.584 0.061 0.000 1.176 485 A CA 0.454 52.542 52.037 0.085 0.000 0.628 485 A CB -0.162 18.917 19.000 0.130 0.000 0.816 485 A HN 0.320 nan 8.150 nan 0.000 0.444 486 M N -1.262 118.373 119.600 0.057 0.000 2.247 486 M HA 0.363 4.843 4.480 -0.000 0.000 0.326 486 M C 1.367 177.665 176.300 -0.004 0.000 1.134 486 M CA 0.047 55.359 55.300 0.020 0.000 1.136 486 M CB 1.204 33.809 32.600 0.009 0.000 1.454 486 M HN 0.230 nan 8.290 nan 0.000 0.467 487 A N 1.641 124.458 122.820 -0.004 0.000 2.067 487 A HA 0.444 4.764 4.320 -0.000 0.000 0.217 487 A C 0.718 178.297 177.584 -0.008 0.000 1.156 487 A CA 1.190 53.227 52.037 -0.001 0.000 0.683 487 A CB -0.045 18.961 19.000 0.011 0.000 0.808 487 A HN 0.816 nan 8.150 nan 0.000 0.455 488 A N -1.096 121.708 122.820 -0.027 0.000 2.517 488 A HA 0.573 4.893 4.320 -0.000 0.000 0.297 488 A C -0.324 177.145 177.584 -0.190 0.000 1.050 488 A CA -0.276 51.729 52.037 -0.053 0.000 0.694 488 A CB 0.720 19.768 19.000 0.081 0.000 1.277 488 A HN 0.149 nan 8.150 nan 0.000 0.400 489 S N 1.354 116.821 115.700 -0.387 0.000 4.087 489 S HA 0.376 4.846 4.470 -0.000 0.000 0.213 489 S C -0.485 173.717 174.600 -0.664 0.000 1.415 489 S CA 0.029 57.654 58.200 -0.958 0.000 0.893 489 S CB -0.979 61.424 63.200 -1.328 0.000 1.529 489 S HN 0.715 nan 8.310 nan 0.000 0.457 490 L N 3.517 124.579 121.223 -0.269 0.000 2.376 490 L HA 0.746 5.086 4.340 -0.000 0.000 0.275 490 L C -0.850 175.979 176.870 -0.069 0.000 0.987 490 L CA -0.553 54.167 54.840 -0.200 0.000 0.828 490 L CB 1.789 43.625 42.059 -0.371 0.000 1.249 490 L HN 0.208 nan 8.230 nan 0.000 0.409 491 V N 6.853 126.761 119.914 -0.011 0.000 2.540 491 V HA 0.638 4.758 4.120 -0.000 0.000 0.302 491 V C -0.766 175.254 176.094 -0.122 0.000 1.035 491 V CA -0.382 61.869 62.300 -0.082 0.000 0.873 491 V CB 1.903 33.717 31.823 -0.015 0.000 0.992 491 V HN 0.709 nan 8.190 nan 0.000 0.428 492 I N 5.906 126.368 120.570 -0.180 0.000 2.390 492 I HA 0.428 4.598 4.170 -0.000 0.000 0.283 492 I C -0.958 175.217 176.117 0.097 0.000 1.016 492 I CA -0.371 60.885 61.300 -0.075 0.000 1.151 492 I CB 1.605 39.494 38.000 -0.186 0.000 1.293 492 I HN 0.545 nan 8.210 nan 0.000 0.458 493 D N 4.966 125.464 120.400 0.163 0.000 2.373 493 D HA 0.269 4.909 4.640 -0.000 0.000 0.227 493 D C 1.065 177.476 176.300 0.184 0.000 1.091 493 D CA -0.330 53.823 54.000 0.254 0.000 0.840 493 D CB 1.866 42.836 40.800 0.284 0.000 1.060 493 D HN 0.659 nan 8.370 nan 0.000 0.502 494 G N 3.388 112.289 108.800 0.168 0.000 2.848 494 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.208 494 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.208 494 G C 1.096 176.030 174.900 0.057 0.000 1.152 494 G CA 0.039 45.199 45.100 0.100 0.000 0.789 494 G HN 0.348 nan 8.290 nan 0.000 0.531 495 R N -0.228 120.316 120.500 0.073 0.000 2.549 495 R HA 0.112 4.452 4.340 -0.000 0.000 0.361 495 R C 0.115 176.432 176.300 0.028 0.000 0.969 495 R CA -0.454 55.658 56.100 0.020 0.000 1.158 495 R CB -0.111 30.155 30.300 -0.057 0.000 1.456 495 R HN 0.142 nan 8.270 nan 0.000 0.540 496 N N 0.952 119.686 118.700 0.058 0.000 2.714 496 N HA -0.127 4.613 4.740 -0.000 0.000 0.253 496 N C 0.865 176.368 175.510 -0.012 0.000 1.024 496 N CA 1.129 54.205 53.050 0.043 0.000 0.726 496 N CB -1.485 37.045 38.487 0.072 0.000 0.908 496 N HN 0.310 nan 8.380 nan 0.000 0.542 497 V N -4.351 115.486 119.914 -0.127 0.000 3.431 497 V HA 0.256 4.375 4.120 -0.000 0.000 0.253 497 V C 0.509 176.508 176.094 -0.158 0.000 1.184 497 V CA 0.511 62.685 62.300 -0.211 0.000 1.104 497 V CB -0.066 31.554 31.823 -0.339 0.000 0.799 497 V HN 0.138 nan 8.190 nan 0.000 0.462 498 Y N 1.595 121.942 120.300 0.079 0.000 2.334 498 Y HA 0.738 5.288 4.550 -0.000 0.000 0.328 498 Y C 0.379 176.301 175.900 0.036 0.000 1.130 498 Y CA -1.568 56.592 58.100 0.099 0.000 1.163 498 Y CB 0.917 39.472 38.460 0.159 0.000 1.207 498 Y HN 0.292 nan 8.280 nan 0.000 0.471 499 E N 2.755 123.078 120.200 0.207 0.000 2.234 499 E HA 0.440 4.790 4.350 -0.000 0.000 0.266 499 E C -1.243 175.298 176.600 -0.099 0.000 0.877 499 E CA -0.788 55.637 56.400 0.041 0.000 0.758 499 E CB 2.251 31.976 29.700 0.042 0.000 1.170 499 E HN 0.485 nan 8.360 nan 0.000 0.415 500 L N 3.573 124.640 121.223 -0.260 0.000 2.371 500 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 500 L C -1.602 175.084 176.870 -0.307 0.000 1.124 500 L CA -1.674 52.854 54.840 -0.520 0.000 0.816 500 L CB -0.258 41.480 42.059 -0.535 0.000 1.129 500 L HN 0.363 nan 8.230 nan 0.000 0.448 507 T N 3.816 118.353 114.554 -0.028 0.000 2.767 507 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 507 T C -1.334 173.323 174.700 -0.072 0.000 0.973 507 T CA -0.364 61.690 62.100 -0.078 0.000 0.996 507 T CB 1.138 69.907 68.868 -0.165 0.000 0.927 507 T HN 0.401 nan 8.240 nan 0.000 0.456 508 L N 5.576 126.754 121.223 -0.075 0.000 2.305 508 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 508 L C -1.349 175.491 176.870 -0.050 0.000 1.013 508 L CA -0.479 54.322 54.840 -0.065 0.000 0.819 508 L CB 0.574 42.584 42.059 -0.081 0.000 1.227 508 L HN 0.567 nan 8.230 nan 0.000 0.417 509 L N 6.059 127.252 121.223 -0.049 0.000 2.329 509 L HA 0.635 4.975 4.340 -0.000 0.000 0.279 509 L C -0.139 176.751 176.870 0.035 0.000 1.014 509 L CA -0.514 54.316 54.840 -0.016 0.000 0.814 509 L CB 1.604 43.637 42.059 -0.043 0.000 1.257 509 L HN 0.869 nan 8.230 nan 0.000 0.424 510 N N 1.880 120.610 118.700 0.051 0.000 3.278 510 N HA 0.483 5.223 4.740 -0.000 0.000 0.307 510 N C -1.299 174.253 175.510 0.071 0.000 1.551 510 N CA -0.988 52.108 53.050 0.076 0.000 0.794 510 N CB 1.725 40.264 38.487 0.086 0.000 1.770 510 N HN 0.200 nan 8.380 nan 0.000 0.612 511 I N 1.182 121.797 120.570 0.075 0.000 2.287 511 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 511 I C 1.114 177.267 176.117 0.059 0.000 1.069 511 I CA 0.623 61.964 61.300 0.068 0.000 1.237 511 I CB -0.583 37.461 38.000 0.074 0.000 1.418 511 I HN 0.950 nan 8.210 nan 0.000 0.481 512 G N 0.000 108.829 108.800 0.048 0.000 5.446 512 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 512 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 512 G CA 0.000 45.124 45.100 0.040 0.000 0.502 512 G HN 0.000 nan 8.290 nan 0.000 0.925