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 1shq_1_B DATA FIRST_RESID 1 DATA SEQUENCE EEDKAYWNKD AQDALDKQLG IKLREKQAKN VIFFLGDGMS LSTVTAARIY DATA SEQUENCE KGGLTGKFER EKISWEEFDF AALSKTYNTD KQVTDSAASA TAYLTGVKTN DATA SEQUENCE QGVIGLDANT VRTNCSYQLD ESLFTYSIAH WFQEAGRSTG VVTSTRVTHA DATA SEQUENCE TPAGTYAHVA DRDWENDSDV VHDREDPEIC DDIAEQLVFR EPGKNFKVIM DATA SEQUENCE GGGRRGFFPE EALDIEDGIP GEREDGKHLI TDWLDDKASQ GATASYVWNR DATA SEQUENCE DDLLAVDIRN TDYLMGLFSY THLDTVLTRD AEMDPTLPEM TKVAIEMLTK DATA SEQUENCE DENGFFLLVE GGRIDHMHHA NQIRQSLAET LDMEEAVSMA LSMTDPEETI DATA SEQUENCE ILVTADHGHT LTITGYADRN TDILDFAGIS DLDDRRYTIL DYGSGPGYHI DATA SEQUENCE TEDGKRYEPT EEDLKDINFR YASAAPKHSV THDGTDVGIW VNGPFAHLFT DATA SEQUENCE GVYEENYIPH ALAYAAcVGT GRTFcD 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.308 176.600 -0.487 0.000 1.382 1 E CA 0.000 56.255 56.400 -0.243 0.000 0.976 1 E CB 0.000 29.613 29.700 -0.145 0.000 0.812 2 E N 1.751 121.533 120.200 -0.698 0.000 2.778 2 E HA 0.001 4.351 4.350 -0.000 0.000 0.318 2 E C -0.514 175.982 176.600 -0.172 0.000 1.309 2 E CA 0.401 56.221 56.400 -0.966 0.000 1.419 2 E CB -0.466 28.918 29.700 -0.528 0.000 1.150 2 E HN 0.303 nan 8.360 nan 0.000 0.492 3 D N -0.344 120.003 120.400 -0.089 0.000 2.511 3 D HA 0.004 4.644 4.640 -0.000 0.000 0.276 3 D C 1.087 177.533 176.300 0.243 0.000 1.220 3 D CA -0.657 53.409 54.000 0.111 0.000 1.077 3 D CB 0.591 41.423 40.800 0.052 0.000 1.126 3 D HN -0.030 nan 8.370 nan 0.000 0.583 4 K N -0.583 119.936 120.400 0.199 0.000 2.032 4 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 4 K C 1.960 178.672 176.600 0.187 0.000 1.048 4 K CA 1.588 58.000 56.287 0.209 0.000 0.927 4 K CB -0.622 31.954 32.500 0.127 0.000 0.712 4 K HN 0.421 nan 8.250 nan 0.000 0.441 5 A N 0.397 123.292 122.820 0.126 0.000 1.908 5 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 5 A C 2.105 179.740 177.584 0.085 0.000 1.181 5 A CA 1.594 53.684 52.037 0.088 0.000 0.627 5 A CB -1.042 17.992 19.000 0.056 0.000 0.818 5 A HN 0.632 nan 8.150 nan 0.000 0.445 6 Y N -1.146 119.108 120.300 -0.076 0.000 2.114 6 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 6 Y C 2.110 177.860 175.900 -0.250 0.000 1.165 6 Y CA 2.199 60.163 58.100 -0.228 0.000 1.148 6 Y CB -0.409 37.816 38.460 -0.393 0.000 0.972 6 Y HN 0.470 nan 8.280 nan 0.000 0.504 7 W N 0.275 121.701 121.300 0.210 0.000 2.476 7 W HA -0.101 4.559 4.660 -0.000 0.000 0.281 7 W C 2.254 178.787 176.519 0.023 0.000 1.230 7 W CA 0.657 58.073 57.345 0.118 0.000 1.287 7 W CB -0.317 29.235 29.460 0.154 0.000 1.108 7 W HN -0.002 nan 8.180 nan 0.000 0.567 8 N N 0.740 119.573 118.700 0.222 0.000 2.188 8 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 8 N C 1.619 177.155 175.510 0.043 0.000 1.018 8 N CA 1.381 54.503 53.050 0.120 0.000 0.858 8 N CB -0.488 38.051 38.487 0.086 0.000 0.989 8 N HN 0.264 nan 8.380 nan 0.000 0.426 9 K N 1.093 121.480 120.400 -0.023 0.000 2.062 9 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 9 K C 1.422 177.965 176.600 -0.096 0.000 1.051 9 K CA 1.367 57.609 56.287 -0.074 0.000 0.941 9 K CB -0.131 32.293 32.500 -0.127 0.000 0.719 9 K HN -0.088 nan 8.250 nan 0.000 0.440 10 D N 0.116 120.423 120.400 -0.154 0.000 2.116 10 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 10 D C 1.716 178.021 176.300 0.008 0.000 0.998 10 D CA 1.884 55.813 54.000 -0.119 0.000 0.836 10 D CB -0.052 40.672 40.800 -0.126 0.000 0.951 10 D HN 0.391 nan 8.370 nan 0.000 0.449 11 A N -0.237 122.625 122.820 0.069 0.000 1.929 11 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 11 A C 2.131 179.735 177.584 0.034 0.000 1.176 11 A CA 1.051 53.130 52.037 0.070 0.000 0.628 11 A CB -0.446 18.609 19.000 0.091 0.000 0.816 11 A HN 0.178 nan 8.150 nan 0.000 0.444 12 Q N 0.314 120.126 119.800 0.020 0.000 2.124 12 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 12 Q C 1.456 177.456 176.000 -0.000 0.000 0.977 12 Q CA 1.634 57.442 55.803 0.009 0.000 0.850 12 Q CB -0.480 28.260 28.738 0.004 0.000 0.901 12 Q HN 0.631 nan 8.270 nan 0.000 0.429 13 D N 0.515 120.908 120.400 -0.013 0.000 2.097 13 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 13 D C 1.758 178.057 176.300 -0.002 0.000 0.989 13 D CA 1.529 55.520 54.000 -0.016 0.000 0.827 13 D CB -0.223 40.554 40.800 -0.039 0.000 0.966 13 D HN 0.231 nan 8.370 nan 0.000 0.456 14 A N 0.698 123.522 122.820 0.006 0.000 1.940 14 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 14 A C 2.151 179.746 177.584 0.018 0.000 1.176 14 A CA 1.072 53.120 52.037 0.018 0.000 0.631 14 A CB -0.643 18.377 19.000 0.032 0.000 0.814 14 A HN 0.252 nan 8.150 nan 0.000 0.446 15 L N -0.153 121.079 121.223 0.016 0.000 2.056 15 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 15 L C 1.598 178.475 176.870 0.011 0.000 1.078 15 L CA 2.368 57.216 54.840 0.014 0.000 0.749 15 L CB -0.618 41.450 42.059 0.014 0.000 0.901 15 L HN 0.288 nan 8.230 nan 0.000 0.433 16 D N -0.093 120.311 120.400 0.008 0.000 2.117 16 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 16 D C 2.106 178.412 176.300 0.009 0.000 0.987 16 D CA 1.437 55.441 54.000 0.006 0.000 0.829 16 D CB -0.064 40.737 40.800 0.001 0.000 0.961 16 D HN 0.407 nan 8.370 nan 0.000 0.460 17 K N 0.414 120.821 120.400 0.012 0.000 2.097 17 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 17 K C 2.061 178.675 176.600 0.024 0.000 1.049 17 K CA 1.243 57.542 56.287 0.019 0.000 0.933 17 K CB 0.090 32.604 32.500 0.024 0.000 0.717 17 K HN -0.067 nan 8.250 nan 0.000 0.442 18 Q N 0.757 120.568 119.800 0.018 0.000 2.083 18 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 18 Q C 1.846 177.855 176.000 0.015 0.000 0.969 18 Q CA 1.286 57.097 55.803 0.013 0.000 0.838 18 Q CB -0.030 28.710 28.738 0.004 0.000 0.900 18 Q HN 0.385 nan 8.270 nan 0.000 0.436 19 L N -0.565 120.666 121.223 0.013 0.000 2.376 19 L HA 0.051 4.391 4.340 -0.000 0.000 0.219 19 L C 1.898 178.776 176.870 0.014 0.000 1.133 19 L CA 0.800 55.647 54.840 0.012 0.000 0.816 19 L CB -0.262 41.803 42.059 0.010 0.000 0.933 19 L HN 0.381 nan 8.230 nan 0.000 0.449 20 G N -0.456 108.353 108.800 0.016 0.000 2.939 20 G HA2 0.145 4.105 3.960 -0.000 0.000 0.210 20 G HA3 0.145 4.105 3.960 -0.000 0.000 0.210 20 G C 0.763 175.675 174.900 0.020 0.000 1.160 20 G CA -0.421 44.688 45.100 0.015 0.000 0.770 20 G HN 0.143 nan 8.290 nan 0.000 0.543 21 I N 1.103 121.693 120.570 0.033 0.000 2.821 21 I HA 0.004 4.174 4.170 -0.000 0.000 0.294 21 I C 0.432 176.562 176.117 0.021 0.000 1.210 21 I CA 0.311 61.642 61.300 0.051 0.000 1.430 21 I CB 0.770 38.826 38.000 0.093 0.000 1.356 21 I HN -0.033 nan 8.210 nan 0.000 0.563 22 K N 7.608 128.007 120.400 -0.002 0.000 2.235 22 K HA 0.485 4.805 4.320 -0.000 0.000 0.266 22 K C -0.889 175.641 176.600 -0.118 0.000 0.980 22 K CA -0.502 55.755 56.287 -0.050 0.000 0.849 22 K CB 0.924 33.395 32.500 -0.048 0.000 1.098 22 K HN 0.471 nan 8.250 nan 0.000 0.445 23 L N 4.261 125.371 121.223 -0.189 0.000 2.439 23 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 23 L C 0.451 177.089 176.870 -0.386 0.000 1.179 23 L CA -0.154 54.445 54.840 -0.401 0.000 0.828 23 L CB 0.738 42.492 42.059 -0.509 0.000 1.106 23 L HN 0.590 nan 8.230 nan 0.000 0.467 24 R N 2.253 122.453 120.500 -0.500 0.000 2.287 24 R HA 0.207 4.547 4.340 -0.000 0.000 0.316 24 R C -0.621 175.290 176.300 -0.648 0.000 1.050 24 R CA -0.235 55.617 56.100 -0.414 0.000 0.983 24 R CB 0.653 30.773 30.300 -0.300 0.000 1.140 24 R HN 0.555 nan 8.270 nan 0.000 0.528 25 E N 3.682 123.538 120.200 -0.573 0.000 2.464 25 E HA 0.053 4.403 4.350 -0.000 0.000 0.260 25 E C -0.617 175.655 176.600 -0.546 0.000 1.318 25 E CA -0.205 55.730 56.400 -0.776 0.000 1.571 25 E CB 0.391 29.909 29.700 -0.304 0.000 1.525 25 E HN 0.388 nan 8.360 nan 0.000 0.449 26 K N -0.287 119.801 120.400 -0.521 0.000 2.443 26 K HA 0.331 4.650 4.320 -0.000 0.000 0.251 26 K C -0.418 176.056 176.600 -0.211 0.000 0.972 26 K CA -1.071 55.052 56.287 -0.274 0.000 0.833 26 K CB 1.625 34.078 32.500 -0.078 0.000 1.317 26 K HN -0.063 nan 8.250 nan 0.000 0.441 27 Q N 0.762 120.551 119.800 -0.018 0.000 2.386 27 Q HA 0.131 4.471 4.340 -0.000 0.000 0.282 27 Q C -0.864 175.178 176.000 0.070 0.000 1.050 27 Q CA -0.095 55.765 55.803 0.095 0.000 0.918 27 Q CB 0.684 29.554 28.738 0.221 0.000 1.266 27 Q HN 0.675 nan 8.270 nan 0.000 0.423 28 A N 3.942 126.812 122.820 0.084 0.000 2.289 28 A HA 0.170 4.490 4.320 -0.000 0.000 0.298 28 A C 0.430 178.056 177.584 0.070 0.000 1.208 28 A CA -0.425 51.663 52.037 0.085 0.000 0.845 28 A CB 0.832 19.911 19.000 0.131 0.000 1.125 28 A HN 1.021 nan 8.150 nan 0.000 0.517 29 K N 2.183 122.617 120.400 0.056 0.000 2.098 29 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 29 K C -0.024 176.624 176.600 0.080 0.000 1.051 29 K CA 0.818 57.138 56.287 0.054 0.000 0.957 29 K CB 0.004 32.531 32.500 0.045 0.000 0.738 29 K HN 0.788 nan 8.250 nan 0.000 0.447 30 N N 0.286 118.982 118.700 -0.007 0.000 2.335 30 N HA 0.272 5.012 4.740 -0.000 0.000 0.304 30 N C -1.572 173.887 175.510 -0.085 0.000 1.135 30 N CA -0.532 52.391 53.050 -0.211 0.000 0.817 30 N CB 2.511 40.650 38.487 -0.579 0.000 1.294 30 N HN -0.188 nan 8.380 nan 0.000 0.497 31 V N 2.161 121.991 119.914 -0.139 0.000 2.569 31 V HA 0.480 4.600 4.120 -0.000 0.000 0.301 31 V C -0.382 175.624 176.094 -0.148 0.000 1.044 31 V CA -0.599 61.705 62.300 0.007 0.000 0.874 31 V CB 1.700 33.687 31.823 0.273 0.000 1.002 31 V HN 0.522 nan 8.190 nan 0.000 0.424 32 I N 5.288 125.808 120.570 -0.085 0.000 2.389 32 I HA 0.455 4.624 4.170 -0.000 0.000 0.288 32 I C -1.248 174.830 176.117 -0.065 0.000 0.999 32 I CA -0.443 60.762 61.300 -0.158 0.000 1.129 32 I CB 1.753 39.731 38.000 -0.038 0.000 1.288 32 I HN 0.497 nan 8.210 nan 0.000 0.444 33 F N 7.662 127.399 119.950 -0.354 0.000 2.403 33 F HA 0.533 5.060 4.527 -0.000 0.000 0.355 33 F C -1.071 174.560 175.800 -0.281 0.000 1.119 33 F CA -1.058 56.854 58.000 -0.147 0.000 1.007 33 F CB 0.759 39.779 39.000 0.033 0.000 1.194 33 F HN 0.137 nan 8.300 nan 0.000 0.443 34 F N 6.601 126.597 119.950 0.077 0.000 2.404 34 F HA 0.450 4.977 4.527 -0.000 0.000 0.345 34 F C -0.387 175.429 175.800 0.026 0.000 1.110 34 F CA -0.677 57.339 58.000 0.026 0.000 1.130 34 F CB 1.291 40.225 39.000 -0.110 0.000 1.129 34 F HN 0.202 nan 8.300 nan 0.000 0.500 35 L N 3.854 125.196 121.223 0.199 0.000 2.377 35 L HA 0.528 4.868 4.340 -0.000 0.000 0.270 35 L C -0.254 176.621 176.870 0.008 0.000 0.991 35 L CA -0.225 54.665 54.840 0.082 0.000 0.851 35 L CB 0.987 43.102 42.059 0.094 0.000 1.218 35 L HN 0.680 nan 8.230 nan 0.000 0.420 36 G N 3.809 112.569 108.800 -0.066 0.000 2.448 36 G HA2 0.082 4.042 3.960 -0.000 0.000 0.309 36 G HA3 0.082 4.042 3.960 -0.000 0.000 0.309 36 G C -0.133 174.705 174.900 -0.102 0.000 1.027 36 G CA -0.337 44.724 45.100 -0.065 0.000 1.104 36 G HN 0.674 nan 8.290 nan 0.000 0.428 37 D N 2.236 122.579 120.400 -0.096 0.000 2.382 37 D HA 0.296 4.936 4.640 -0.000 0.000 0.259 37 D C 1.465 177.657 176.300 -0.180 0.000 1.224 37 D CA 1.273 55.173 54.000 -0.167 0.000 0.894 37 D CB 0.794 41.548 40.800 -0.077 0.000 1.127 37 D HN 0.726 nan 8.370 nan 0.000 0.487 38 G N 4.238 112.770 108.800 -0.447 0.000 2.162 38 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 38 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 38 G C 0.722 175.671 174.900 0.082 0.000 0.976 38 G CA 0.374 45.362 45.100 -0.187 0.000 0.655 38 G HN 0.582 nan 8.290 nan 0.000 0.533 39 M N 3.085 122.685 119.600 -0.000 0.000 3.254 39 M HA 0.378 4.858 4.480 -0.000 0.000 0.257 39 M C 1.248 177.614 176.300 0.109 0.000 1.490 39 M CA 0.373 55.731 55.300 0.095 0.000 1.620 39 M CB -0.355 32.281 32.600 0.059 0.000 1.157 39 M HN 0.567 nan 8.290 nan 0.000 0.541 40 S N 2.293 118.065 115.700 0.119 0.000 2.580 40 S HA 0.081 4.551 4.470 -0.000 0.000 0.266 40 S C 1.124 175.814 174.600 0.150 0.000 1.354 40 S CA -0.641 57.618 58.200 0.099 0.000 1.008 40 S CB 0.768 64.001 63.200 0.056 0.000 0.898 40 S HN 0.786 nan 8.310 nan 0.000 0.555 41 L N 1.634 122.943 121.223 0.143 0.000 2.127 41 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 41 L C 3.026 179.978 176.870 0.137 0.000 1.089 41 L CA 1.610 56.562 54.840 0.187 0.000 0.757 41 L CB -0.892 41.252 42.059 0.141 0.000 0.899 41 L HN 0.990 nan 8.230 nan 0.000 0.434 42 S N -1.856 113.891 115.700 0.078 0.000 2.383 42 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 42 S C 1.925 176.549 174.600 0.041 0.000 1.026 42 S CA 1.486 59.710 58.200 0.039 0.000 0.981 42 S CB -0.741 62.455 63.200 -0.007 0.000 0.818 42 S HN 0.353 nan 8.310 nan 0.000 0.472 43 T N 2.404 117.003 114.554 0.074 0.000 2.746 43 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 43 T C 1.889 176.638 174.700 0.082 0.000 1.039 43 T CA 1.444 63.608 62.100 0.106 0.000 1.142 43 T CB -0.590 68.410 68.868 0.219 0.000 0.866 43 T HN 0.301 nan 8.240 nan 0.000 0.444 44 V N 1.523 121.513 119.914 0.127 0.000 2.307 44 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 44 V C 2.801 178.907 176.094 0.019 0.000 1.045 44 V CA 2.009 64.368 62.300 0.099 0.000 1.024 44 V CB -1.182 30.774 31.823 0.222 0.000 0.651 44 V HN 0.511 nan 8.190 nan 0.000 0.449 45 T N 0.560 115.146 114.554 0.054 0.000 2.684 45 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 45 T C 2.043 176.750 174.700 0.013 0.000 1.036 45 T CA 1.730 63.848 62.100 0.030 0.000 1.148 45 T CB -0.453 68.443 68.868 0.045 0.000 0.863 45 T HN 0.567 nan 8.240 nan 0.000 0.436 46 A N 1.196 124.022 122.820 0.011 0.000 1.930 46 A HA 0.231 4.551 4.320 -0.000 0.000 0.217 46 A C 2.571 180.162 177.584 0.011 0.000 1.175 46 A CA 1.673 53.713 52.037 0.006 0.000 0.627 46 A CB -0.886 18.100 19.000 -0.023 0.000 0.815 46 A HN 0.508 nan 8.150 nan 0.000 0.443 47 A N -0.493 122.314 122.820 -0.022 0.000 1.968 47 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 47 A C 2.201 179.777 177.584 -0.012 0.000 1.169 47 A CA 1.322 53.341 52.037 -0.030 0.000 0.638 47 A CB -0.444 18.504 19.000 -0.088 0.000 0.812 47 A HN 0.536 nan 8.150 nan 0.000 0.446 48 R N 0.072 120.532 120.500 -0.067 0.000 2.073 48 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 48 R C 1.814 178.100 176.300 -0.024 0.000 1.134 48 R CA 1.872 57.915 56.100 -0.095 0.000 0.952 48 R CB -0.374 29.866 30.300 -0.101 0.000 0.850 48 R HN 0.548 nan 8.270 nan 0.000 0.433 49 I N -0.158 120.431 120.570 0.031 0.000 2.315 49 I HA -0.264 3.905 4.170 -0.000 0.000 0.248 49 I C 2.241 178.414 176.117 0.094 0.000 1.117 49 I CA 1.060 62.405 61.300 0.075 0.000 1.404 49 I CB -0.494 37.561 38.000 0.092 0.000 1.071 49 I HN 0.238 nan 8.210 nan 0.000 0.419 50 Y N 2.209 122.490 120.300 -0.032 0.000 2.128 50 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 50 Y C 2.694 178.545 175.900 -0.081 0.000 1.154 50 Y CA 2.060 60.134 58.100 -0.043 0.000 1.149 50 Y CB -0.210 38.217 38.460 -0.056 0.000 0.976 50 Y HN -0.027 nan 8.280 nan 0.000 0.505 51 K N -0.303 120.092 120.400 -0.008 0.000 2.032 51 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 51 K C 2.294 178.765 176.600 -0.215 0.000 1.048 51 K CA 1.589 57.795 56.287 -0.135 0.000 0.927 51 K CB -0.828 31.606 32.500 -0.110 0.000 0.712 51 K HN 0.486 nan 8.250 nan 0.000 0.441 52 G N -0.094 108.601 108.800 -0.176 0.000 2.432 52 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 52 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 52 G C 1.479 176.073 174.900 -0.510 0.000 1.135 52 G CA 0.845 45.789 45.100 -0.260 0.000 0.767 52 G HN 0.499 nan 8.290 nan 0.000 0.550 53 G N 0.584 109.166 108.800 -0.362 0.000 2.443 53 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.219 53 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.219 53 G C 1.704 176.360 174.900 -0.406 0.000 1.131 53 G CA 0.569 45.446 45.100 -0.371 0.000 0.775 53 G HN 0.446 nan 8.290 nan 0.000 0.547 54 L N 0.693 121.686 121.223 -0.383 0.000 2.162 54 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 54 L C 3.007 179.707 176.870 -0.283 0.000 1.086 54 L CA 1.540 56.194 54.840 -0.309 0.000 0.778 54 L CB -0.391 41.490 42.059 -0.296 0.000 0.928 54 L HN 0.357 nan 8.230 nan 0.000 0.446 55 T N -4.007 110.357 114.554 -0.317 0.000 3.081 55 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 55 T C 1.473 175.985 174.700 -0.314 0.000 1.100 55 T CA 0.557 62.498 62.100 -0.264 0.000 1.038 55 T CB 0.670 69.406 68.868 -0.220 0.000 0.962 55 T HN 0.447 nan 8.240 nan 0.000 0.516 56 G N 1.615 110.092 108.800 -0.538 0.000 2.176 56 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 56 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 56 G C 0.871 175.471 174.900 -0.500 0.000 0.979 56 G CA 0.440 45.193 45.100 -0.579 0.000 0.641 56 G HN 0.550 nan 8.290 nan 0.000 0.530 57 K N -0.780 119.374 120.400 -0.410 0.000 2.314 57 K HA 0.409 4.729 4.320 -0.000 0.000 0.198 57 K C 1.388 177.991 176.600 0.005 0.000 1.045 57 K CA 0.370 56.574 56.287 -0.138 0.000 0.988 57 K CB 0.101 32.539 32.500 -0.103 0.000 0.783 57 K HN 0.397 nan 8.250 nan 0.000 0.484 58 F N 0.351 120.285 119.950 -0.027 0.000 2.184 58 F HA -0.413 4.114 4.527 -0.000 0.000 0.318 58 F C 1.522 177.321 175.800 -0.000 0.000 0.994 58 F CA 1.718 59.708 58.000 -0.015 0.000 0.913 58 F CB -1.207 37.791 39.000 -0.004 0.000 4.133 58 F HN -0.010 nan 8.300 nan 0.000 0.138 59 E N 0.240 120.597 120.200 0.262 0.000 2.333 59 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 59 E C 1.776 178.455 176.600 0.131 0.000 1.007 59 E CA 1.251 57.743 56.400 0.153 0.000 0.845 59 E CB -0.193 29.588 29.700 0.135 0.000 0.766 59 E HN 0.265 nan 8.360 nan 0.000 0.507 60 R N 0.736 121.323 120.500 0.145 0.000 2.276 60 R HA 0.041 4.381 4.340 -0.000 0.000 0.203 60 R C 0.667 176.993 176.300 0.042 0.000 1.017 60 R CA 0.170 56.341 56.100 0.119 0.000 1.010 60 R CB -0.116 30.263 30.300 0.131 0.000 0.900 60 R HN 0.144 nan 8.270 nan 0.000 0.469 61 E N 2.072 122.275 120.200 0.004 0.000 2.442 61 E HA -0.007 4.343 4.350 -0.000 0.000 0.260 61 E C -0.695 175.857 176.600 -0.081 0.000 1.148 61 E CA 0.757 57.121 56.400 -0.060 0.000 0.976 61 E CB 0.504 30.148 29.700 -0.094 0.000 0.967 61 E HN -0.111 nan 8.360 nan 0.000 0.454 62 K N 2.047 122.367 120.400 -0.134 0.000 2.427 62 K HA 0.392 4.712 4.320 -0.000 0.000 0.252 62 K C -0.708 175.710 176.600 -0.304 0.000 0.931 62 K CA -0.855 55.321 56.287 -0.184 0.000 0.793 62 K CB 1.480 33.891 32.500 -0.149 0.000 1.211 62 K HN 0.399 nan 8.250 nan 0.000 0.426 63 I N 2.493 122.788 120.570 -0.458 0.000 2.581 63 I HA -0.043 4.127 4.170 -0.000 0.000 0.288 63 I C 1.779 177.438 176.117 -0.764 0.000 1.047 63 I CA 0.530 61.383 61.300 -0.744 0.000 1.374 63 I CB 1.599 38.916 38.000 -1.138 0.000 1.423 63 I HN 0.864 nan 8.210 nan 0.000 0.549 64 S N 4.918 120.194 115.700 -0.707 0.000 2.383 64 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 64 S C 1.351 175.589 174.600 -0.603 0.000 1.030 64 S CA 1.250 59.156 58.200 -0.491 0.000 1.002 64 S CB -0.622 62.371 63.200 -0.346 0.000 0.829 64 S HN 0.822 nan 8.310 nan 0.000 0.467 65 W N 1.778 122.607 121.300 -0.784 0.000 3.047 65 W HA 0.462 5.122 4.660 -0.000 0.000 0.250 65 W C 1.186 177.085 176.519 -1.034 0.000 1.314 65 W CA -0.149 56.387 57.345 -1.349 0.000 1.540 65 W CB -0.528 28.247 29.460 -1.142 0.000 1.127 65 W HN 0.203 nan 8.180 nan 0.000 0.679 66 E N 1.004 120.796 120.200 -0.680 0.000 2.511 66 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 66 E C 1.516 178.052 176.600 -0.106 0.000 1.066 66 E CA 0.514 56.730 56.400 -0.306 0.000 0.871 66 E CB -0.024 29.484 29.700 -0.320 0.000 0.863 66 E HN 0.426 nan 8.360 nan 0.000 0.520 67 E N 0.153 120.271 120.200 -0.135 0.000 2.435 67 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 67 E C 0.086 176.873 176.600 0.311 0.000 1.029 67 E CA 0.192 56.630 56.400 0.064 0.000 0.865 67 E CB 0.182 29.911 29.700 0.048 0.000 0.833 67 E HN 0.115 nan 8.360 nan 0.000 0.510 68 F N 1.798 121.832 119.950 0.139 0.000 2.506 68 F HA 0.008 4.535 4.527 -0.000 0.000 0.351 68 F C 1.603 177.543 175.800 0.234 0.000 1.136 68 F CA -0.718 57.406 58.000 0.206 0.000 1.298 68 F CB 0.276 39.438 39.000 0.270 0.000 1.145 68 F HN -0.127 nan 8.300 nan 0.000 0.593 69 D N 1.002 121.682 120.400 0.466 0.000 2.347 69 D HA -0.033 4.607 4.640 -0.000 0.000 0.213 69 D C -0.215 176.120 176.300 0.057 0.000 0.985 69 D CA 1.004 55.172 54.000 0.280 0.000 0.879 69 D CB 0.107 41.081 40.800 0.290 0.000 0.919 69 D HN 0.086 nan 8.370 nan 0.000 0.526 70 F N 0.653 120.763 119.950 0.266 0.000 2.477 70 F HA 0.567 5.094 4.527 -0.000 0.000 0.335 70 F C 0.199 176.160 175.800 0.268 0.000 1.130 70 F CA -1.328 56.822 58.000 0.251 0.000 0.948 70 F CB 1.774 40.926 39.000 0.254 0.000 1.154 70 F HN -0.287 nan 8.300 nan 0.000 0.439 71 A N 1.925 124.882 122.820 0.229 0.000 2.454 71 A HA 1.028 5.348 4.320 -0.000 0.000 0.302 71 A C -1.221 176.371 177.584 0.013 0.000 1.079 71 A CA -0.379 51.667 52.037 0.015 0.000 0.731 71 A CB 1.695 20.651 19.000 -0.073 0.000 1.299 71 A HN 1.137 nan 8.150 nan 0.000 0.413 72 A N 0.315 123.070 122.820 -0.108 0.000 2.588 72 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 72 A C -1.581 175.944 177.584 -0.098 0.000 1.136 72 A CA -0.481 51.580 52.037 0.041 0.000 0.681 72 A CB 0.675 19.902 19.000 0.378 0.000 1.282 72 A HN 0.913 nan 8.150 nan 0.000 0.421 73 L N 0.538 121.736 121.223 -0.041 0.000 2.334 73 L HA 0.768 5.108 4.340 -0.000 0.000 0.273 73 L C 0.195 177.077 176.870 0.021 0.000 1.013 73 L CA -0.670 54.130 54.840 -0.068 0.000 0.816 73 L CB 2.087 44.098 42.059 -0.080 0.000 1.278 73 L HN 0.645 nan 8.230 nan 0.000 0.431 74 S N 1.547 117.259 115.700 0.019 0.000 2.561 74 S HA 0.439 4.909 4.470 -0.000 0.000 0.303 74 S C -0.902 173.741 174.600 0.072 0.000 1.110 74 S CA -0.840 57.411 58.200 0.086 0.000 1.034 74 S CB 0.903 64.156 63.200 0.089 0.000 1.010 74 S HN 0.491 nan 8.310 nan 0.000 0.482 75 K N 3.240 123.696 120.400 0.093 0.000 2.262 75 K HA 0.242 4.562 4.320 -0.000 0.000 0.282 75 K C 0.909 177.556 176.600 0.079 0.000 1.066 75 K CA -0.301 56.056 56.287 0.117 0.000 0.901 75 K CB 0.819 33.422 32.500 0.172 0.000 1.089 75 K HN 0.755 nan 8.250 nan 0.000 0.476 76 T N -1.221 113.397 114.554 0.106 0.000 3.069 76 T HA -0.008 4.342 4.350 -0.000 0.000 0.252 76 T C 0.668 175.402 174.700 0.056 0.000 1.053 76 T CA -0.413 61.733 62.100 0.076 0.000 0.964 76 T CB -0.488 68.454 68.868 0.123 0.000 1.005 76 T HN 0.505 nan 8.240 nan 0.000 0.532 77 Y N 3.351 123.689 120.300 0.064 0.000 2.757 77 Y HA 0.368 4.918 4.550 -0.000 0.000 0.344 77 Y C 0.253 176.182 175.900 0.048 0.000 1.263 77 Y CA -1.447 56.681 58.100 0.047 0.000 1.493 77 Y CB 0.007 38.486 38.460 0.032 0.000 1.342 77 Y HN 0.301 nan 8.280 nan 0.000 0.627 78 N N -0.568 118.194 118.700 0.102 0.000 2.989 78 N HA 0.305 5.044 4.740 -0.000 0.000 0.338 78 N C 0.453 176.015 175.510 0.086 0.000 1.369 78 N CA -0.334 52.724 53.050 0.012 0.000 0.794 78 N CB -0.031 38.458 38.487 0.003 0.000 1.359 78 N HN 0.676 nan 8.380 nan 0.000 0.609 79 T N -4.409 110.167 114.554 0.037 0.000 3.085 79 T HA -0.006 4.344 4.350 -0.000 0.000 0.263 79 T C 0.065 174.789 174.700 0.040 0.000 1.127 79 T CA 1.174 63.303 62.100 0.050 0.000 1.103 79 T CB -0.569 68.309 68.868 0.016 0.000 0.921 79 T HN 0.721 nan 8.240 nan 0.000 0.510 80 D N -1.341 119.076 120.400 0.027 0.000 2.525 80 D HA 0.178 4.818 4.640 -0.000 0.000 0.231 80 D C 0.162 176.472 176.300 0.017 0.000 1.216 80 D CA -0.273 53.735 54.000 0.012 0.000 0.813 80 D CB 0.415 41.205 40.800 -0.016 0.000 1.108 80 D HN 0.093 nan 8.370 nan 0.000 0.524 81 K N 0.636 121.058 120.400 0.037 0.000 2.498 81 K HA 0.319 4.639 4.320 -0.000 0.000 0.254 81 K C 0.591 177.233 176.600 0.070 0.000 0.933 81 K CA -0.364 55.941 56.287 0.030 0.000 0.806 81 K CB 2.572 35.074 32.500 0.005 0.000 1.301 81 K HN -0.144 nan 8.250 nan 0.000 0.432 82 Q N 0.022 119.855 119.800 0.054 0.000 2.079 82 Q HA -0.000 4.340 4.340 -0.000 0.000 0.200 82 Q C 0.382 176.436 176.000 0.090 0.000 0.974 82 Q CA 0.991 56.837 55.803 0.072 0.000 0.840 82 Q CB 0.219 28.974 28.738 0.028 0.000 0.898 82 Q HN 0.197 nan 8.270 nan 0.000 0.430 83 V N 1.695 121.640 119.914 0.052 0.000 2.318 83 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 83 V C 0.098 176.211 176.094 0.032 0.000 1.030 83 V CA -0.433 61.896 62.300 0.047 0.000 0.844 83 V CB 1.178 33.014 31.823 0.021 0.000 1.015 83 V HN 0.108 nan 8.190 nan 0.000 0.460 84 T N 3.801 118.394 114.554 0.065 0.000 2.913 84 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 84 T C 0.108 174.846 174.700 0.063 0.000 1.029 84 T CA -0.598 61.538 62.100 0.060 0.000 1.104 84 T CB 0.649 69.574 68.868 0.094 0.000 0.964 84 T HN 0.924 nan 8.240 nan 0.000 0.532 85 D N 2.264 122.683 120.400 0.031 0.000 2.447 85 D HA 0.238 4.878 4.640 -0.000 0.000 0.265 85 D C 1.136 177.541 176.300 0.174 0.000 1.250 85 D CA -0.508 53.534 54.000 0.069 0.000 1.046 85 D CB 0.030 40.814 40.800 -0.027 0.000 1.095 85 D HN 0.378 nan 8.370 nan 0.000 0.555 86 S N -1.093 114.752 115.700 0.242 0.000 2.428 86 S HA 0.028 4.498 4.470 -0.000 0.000 0.230 86 S C 1.828 176.469 174.600 0.069 0.000 1.014 86 S CA 0.754 59.097 58.200 0.237 0.000 0.957 86 S CB -0.400 62.920 63.200 0.200 0.000 0.784 86 S HN 0.622 nan 8.310 nan 0.000 0.499 87 A N 1.661 124.471 122.820 -0.018 0.000 1.854 87 A HA 0.212 4.532 4.320 -0.000 0.000 0.214 87 A C 2.332 179.852 177.584 -0.107 0.000 1.192 87 A CA 1.514 53.490 52.037 -0.102 0.000 0.611 87 A CB -1.089 17.826 19.000 -0.142 0.000 0.832 87 A HN 0.493 nan 8.150 nan 0.000 0.442 88 A N 0.265 123.044 122.820 -0.068 0.000 1.969 88 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 88 A C 2.454 180.008 177.584 -0.051 0.000 1.169 88 A CA 2.123 54.118 52.037 -0.070 0.000 0.635 88 A CB -0.845 18.128 19.000 -0.046 0.000 0.810 88 A HN 0.871 nan 8.150 nan 0.000 0.445 89 S N 0.313 116.029 115.700 0.026 0.000 2.383 89 S HA 0.054 4.524 4.470 -0.000 0.000 0.227 89 S C 2.110 176.619 174.600 -0.152 0.000 1.026 89 S CA 1.143 59.408 58.200 0.109 0.000 0.981 89 S CB -0.685 62.698 63.200 0.306 0.000 0.818 89 S HN 0.824 nan 8.310 nan 0.000 0.472 90 A N 1.894 124.533 122.820 -0.301 0.000 1.933 90 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 90 A C 2.399 179.555 177.584 -0.712 0.000 1.175 90 A CA 2.021 53.537 52.037 -0.868 0.000 0.628 90 A CB -1.679 17.076 19.000 -0.408 0.000 0.814 90 A HN 0.537 nan 8.150 nan 0.000 0.444 91 T N 0.252 114.579 114.554 -0.378 0.000 2.759 91 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 91 T C 2.163 176.734 174.700 -0.215 0.000 1.042 91 T CA 1.601 63.537 62.100 -0.274 0.000 1.140 91 T CB -0.386 68.367 68.868 -0.191 0.000 0.864 91 T HN 0.607 nan 8.240 nan 0.000 0.455 92 A N 1.499 124.213 122.820 -0.175 0.000 1.841 92 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 92 A C 2.104 179.704 177.584 0.026 0.000 1.195 92 A CA 1.630 53.648 52.037 -0.032 0.000 0.611 92 A CB -0.975 18.050 19.000 0.041 0.000 0.835 92 A HN 0.760 nan 8.150 nan 0.000 0.443 93 Y N -1.295 119.050 120.300 0.075 0.000 2.546 93 Y HA 0.424 4.974 4.550 -0.000 0.000 0.287 93 Y C 1.250 177.169 175.900 0.031 0.000 1.158 93 Y CA 0.455 58.632 58.100 0.128 0.000 1.307 93 Y CB -0.406 38.192 38.460 0.229 0.000 1.036 93 Y HN 0.118 nan 8.280 nan 0.000 0.532 94 L N -0.118 120.911 121.223 -0.324 0.000 2.642 94 L HA 0.149 4.489 4.340 -0.000 0.000 0.233 94 L C 2.020 178.816 176.870 -0.122 0.000 1.077 94 L CA 0.942 55.642 54.840 -0.232 0.000 0.879 94 L CB 0.159 42.012 42.059 -0.345 0.000 1.151 94 L HN 0.357 nan 8.230 nan 0.000 0.495 95 T N -4.737 109.753 114.554 -0.107 0.000 2.971 95 T HA 0.307 4.657 4.350 -0.000 0.000 0.252 95 T C 1.391 176.107 174.700 0.027 0.000 1.022 95 T CA 0.606 62.696 62.100 -0.017 0.000 0.980 95 T CB 1.002 69.835 68.868 -0.057 0.000 1.044 95 T HN 0.291 nan 8.240 nan 0.000 0.501 96 G N 0.596 109.421 108.800 0.041 0.000 2.159 96 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.227 96 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.227 96 G C -0.123 174.939 174.900 0.271 0.000 0.986 96 G CA -0.111 45.078 45.100 0.148 0.000 0.651 96 G HN 0.848 nan 8.290 nan 0.000 0.523 97 V N 0.861 120.855 119.914 0.133 0.000 2.709 97 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 97 V C 0.343 176.459 176.094 0.036 0.000 1.062 97 V CA -1.195 61.165 62.300 0.101 0.000 0.901 97 V CB 1.926 33.798 31.823 0.081 0.000 1.003 97 V HN 0.278 nan 8.190 nan 0.000 0.425 98 K N 1.458 121.872 120.400 0.023 0.000 2.126 98 K HA 0.730 5.050 4.320 -0.000 0.000 0.257 98 K C -0.202 176.386 176.600 -0.020 0.000 1.007 98 K CA -0.264 56.014 56.287 -0.016 0.000 0.928 98 K CB 1.648 34.118 32.500 -0.049 0.000 1.013 98 K HN 0.775 nan 8.250 nan 0.000 0.473 99 T N -0.003 114.529 114.554 -0.037 0.000 2.671 99 T HA 0.206 4.556 4.350 -0.000 0.000 0.300 99 T C -1.269 173.401 174.700 -0.050 0.000 1.238 99 T CA -0.878 61.195 62.100 -0.045 0.000 1.020 99 T CB 0.918 69.746 68.868 -0.066 0.000 1.503 99 T HN 0.484 nan 8.240 nan 0.000 0.497 100 N N 1.957 120.616 118.700 -0.068 0.000 2.482 100 N HA 0.219 4.959 4.740 -0.000 0.000 0.260 100 N C -0.226 175.234 175.510 -0.083 0.000 1.236 100 N CA -0.167 52.840 53.050 -0.073 0.000 0.938 100 N CB 0.466 38.895 38.487 -0.097 0.000 1.128 100 N HN 0.581 nan 8.380 nan 0.000 0.448 101 Q N 0.059 119.816 119.800 -0.072 0.000 2.269 101 Q HA 0.215 4.555 4.340 -0.000 0.000 0.300 101 Q C 0.948 176.878 176.000 -0.115 0.000 1.070 101 Q CA 1.458 57.213 55.803 -0.080 0.000 0.957 101 Q CB -0.252 28.444 28.738 -0.070 0.000 1.131 101 Q HN 0.829 nan 8.270 nan 0.000 0.377 102 G N 2.014 110.738 108.800 -0.126 0.000 2.176 102 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 102 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 102 G C -0.280 174.492 174.900 -0.213 0.000 0.979 102 G CA 0.010 45.007 45.100 -0.171 0.000 0.641 102 G HN 0.608 nan 8.290 nan 0.000 0.530 103 V N 1.522 121.326 119.914 -0.184 0.000 2.483 103 V HA 0.712 4.832 4.120 -0.000 0.000 0.295 103 V C 0.451 176.429 176.094 -0.193 0.000 1.035 103 V CA -0.628 61.554 62.300 -0.196 0.000 0.896 103 V CB 1.807 33.531 31.823 -0.165 0.000 0.986 103 V HN 0.294 nan 8.190 nan 0.000 0.447 104 I N 3.151 123.591 120.570 -0.217 0.000 2.436 104 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 104 I C 1.026 176.978 176.117 -0.275 0.000 1.010 104 I CA -0.345 60.806 61.300 -0.248 0.000 1.098 104 I CB 1.707 39.538 38.000 -0.281 0.000 1.266 104 I HN 0.835 nan 8.210 nan 0.000 0.434 105 G N 5.330 113.961 108.800 -0.281 0.000 2.168 105 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 105 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 105 G C -0.281 174.509 174.900 -0.182 0.000 0.997 105 G CA 0.155 45.067 45.100 -0.313 0.000 0.708 105 G HN 0.472 nan 8.290 nan 0.000 0.520 106 L N 0.039 121.177 121.223 -0.141 0.000 2.333 106 L HA 0.605 4.945 4.340 -0.000 0.000 0.263 106 L C 0.293 177.137 176.870 -0.043 0.000 1.014 106 L CA -1.174 53.626 54.840 -0.066 0.000 0.820 106 L CB 1.583 43.618 42.059 -0.041 0.000 1.352 106 L HN 0.242 nan 8.230 nan 0.000 0.421 107 D N 0.951 121.354 120.400 0.005 0.000 2.478 107 D HA 0.201 4.840 4.640 -0.000 0.000 0.269 107 D C 0.777 177.066 176.300 -0.019 0.000 1.232 107 D CA -0.220 53.782 54.000 0.003 0.000 1.059 107 D CB 1.156 41.978 40.800 0.037 0.000 1.104 107 D HN 0.541 nan 8.370 nan 0.000 0.566 108 A N -0.152 122.659 122.820 -0.015 0.000 2.248 108 A HA -0.126 4.194 4.320 -0.000 0.000 0.210 108 A C 1.616 179.166 177.584 -0.057 0.000 1.174 108 A CA 0.380 52.394 52.037 -0.038 0.000 0.750 108 A CB -0.891 18.098 19.000 -0.017 0.000 0.780 108 A HN 0.551 nan 8.150 nan 0.000 0.478 109 N N 0.328 119.011 118.700 -0.029 0.000 2.381 109 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 109 N C 0.104 175.475 175.510 -0.232 0.000 1.025 109 N CA 0.809 53.841 53.050 -0.031 0.000 0.888 109 N CB -0.262 38.278 38.487 0.088 0.000 0.965 109 N HN 0.352 nan 8.380 nan 0.000 0.438 110 T N 1.487 115.884 114.554 -0.260 0.000 2.902 110 T HA 0.097 4.447 4.350 -0.000 0.000 0.301 110 T C 0.372 174.699 174.700 -0.621 0.000 1.012 110 T CA -0.032 61.753 62.100 -0.525 0.000 1.151 110 T CB 1.534 70.271 68.868 -0.220 0.000 0.946 110 T HN -0.222 nan 8.240 nan 0.000 0.542 111 V N 5.130 124.449 119.914 -0.991 0.000 2.383 111 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 111 V C 0.852 176.795 176.094 -0.251 0.000 1.036 111 V CA -0.822 61.191 62.300 -0.478 0.000 0.889 111 V CB 1.075 32.702 31.823 -0.326 0.000 0.985 111 V HN 0.734 nan 8.190 nan 0.000 0.459 112 R N 3.408 123.798 120.500 -0.183 0.000 2.585 112 R HA 0.142 4.482 4.340 -0.000 0.000 0.275 112 R C 0.778 177.008 176.300 -0.117 0.000 1.018 112 R CA 1.294 57.289 56.100 -0.174 0.000 1.072 112 R CB 0.152 30.353 30.300 -0.165 0.000 0.953 112 R HN 1.017 nan 8.270 nan 0.000 0.419 113 T N 0.746 115.190 114.554 -0.183 0.000 5.979 113 T HA -0.189 4.161 4.350 -0.000 0.000 0.273 113 T C -0.080 174.788 174.700 0.280 0.000 2.195 113 T CA 1.257 63.337 62.100 -0.033 0.000 3.693 113 T CB -1.192 67.688 68.868 0.021 0.000 0.944 113 T HN 0.735 nan 8.240 nan 0.000 1.117 114 N N 0.903 119.745 118.700 0.237 0.000 2.589 114 N HA 0.304 5.044 4.740 -0.000 0.000 0.232 114 N C 1.286 177.044 175.510 0.413 0.000 1.015 114 N CA 0.146 53.395 53.050 0.332 0.000 0.931 114 N CB 0.672 39.370 38.487 0.353 0.000 1.150 114 N HN 0.446 nan 8.380 nan 0.000 0.512 115 C N 2.685 122.244 119.300 0.432 0.000 2.403 115 C HA -0.114 4.346 4.460 -0.000 0.000 0.279 115 C C 2.335 177.465 174.990 0.233 0.000 1.269 115 C CA 1.353 60.596 59.018 0.374 0.000 1.774 115 C CB -1.051 26.754 27.740 0.109 0.000 1.993 115 C HN 0.758 nan 8.230 nan 0.000 0.496 116 S N -0.190 115.596 115.700 0.143 0.000 2.387 116 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 116 S C 1.336 175.931 174.600 -0.008 0.000 1.035 116 S CA 2.099 60.302 58.200 0.005 0.000 1.014 116 S CB -0.688 62.430 63.200 -0.136 0.000 0.836 116 S HN 0.844 nan 8.310 nan 0.000 0.466 117 Y N 2.143 122.502 120.300 0.099 0.000 2.333 117 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 117 Y C 2.648 178.630 175.900 0.137 0.000 1.144 117 Y CA 1.212 59.368 58.100 0.095 0.000 1.228 117 Y CB -0.525 37.975 38.460 0.067 0.000 0.985 117 Y HN 0.477 nan 8.280 nan 0.000 0.542 118 Q N 0.157 120.126 119.800 0.282 0.000 2.444 118 Q HA -0.007 4.333 4.340 -0.000 0.000 0.206 118 Q C 1.024 177.217 176.000 0.322 0.000 0.948 118 Q CA 0.767 56.733 55.803 0.271 0.000 0.946 118 Q CB -0.279 28.597 28.738 0.230 0.000 1.027 118 Q HN 0.532 nan 8.270 nan 0.000 0.513 119 L N 0.137 121.483 121.223 0.205 0.000 2.567 119 L HA 0.213 4.553 4.340 -0.000 0.000 0.225 119 L C 0.492 177.389 176.870 0.044 0.000 1.119 119 L CA -0.169 54.742 54.840 0.118 0.000 0.871 119 L CB 0.193 42.278 42.059 0.044 0.000 1.036 119 L HN 0.148 nan 8.230 nan 0.000 0.459 120 D N 0.948 121.396 120.400 0.079 0.000 2.467 120 D HA 0.055 4.695 4.640 -0.000 0.000 0.220 120 D C 0.944 177.160 176.300 -0.140 0.000 1.103 120 D CA -0.038 53.948 54.000 -0.022 0.000 0.886 120 D CB 1.044 41.855 40.800 0.019 0.000 1.025 120 D HN 0.088 nan 8.370 nan 0.000 0.514 121 E N 1.112 121.036 120.200 -0.459 0.000 2.219 121 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 121 E C 1.684 178.032 176.600 -0.420 0.000 0.998 121 E CA 1.106 56.934 56.400 -0.953 0.000 0.818 121 E CB 0.290 29.578 29.700 -0.686 0.000 0.741 121 E HN 0.553 nan 8.360 nan 0.000 0.477 122 S N 0.231 115.840 115.700 -0.151 0.000 2.447 122 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 122 S C 1.752 176.391 174.600 0.065 0.000 1.006 122 S CA 0.571 58.761 58.200 -0.017 0.000 0.957 122 S CB -0.192 63.011 63.200 0.004 0.000 0.773 122 S HN 0.226 nan 8.310 nan 0.000 0.507 123 L N 0.160 121.454 121.223 0.119 0.000 2.592 123 L HA 0.370 4.710 4.340 -0.000 0.000 0.227 123 L C -0.149 176.864 176.870 0.238 0.000 1.127 123 L CA -0.357 54.592 54.840 0.181 0.000 0.884 123 L CB -0.422 41.763 42.059 0.209 0.000 1.065 123 L HN 0.190 nan 8.230 nan 0.000 0.457 124 F N 1.501 121.366 119.950 -0.142 0.000 2.484 124 F HA 0.180 4.707 4.527 -0.000 0.000 0.360 124 F C 1.194 176.776 175.800 -0.364 0.000 1.101 124 F CA -1.019 56.764 58.000 -0.362 0.000 1.251 124 F CB 0.803 39.355 39.000 -0.748 0.000 1.132 124 F HN -0.083 nan 8.300 nan 0.000 0.570 125 T N 0.804 115.230 114.554 -0.213 0.000 2.888 125 T HA 0.640 4.990 4.350 -0.000 0.000 0.284 125 T C -1.119 173.372 174.700 -0.348 0.000 1.017 125 T CA -0.715 61.291 62.100 -0.157 0.000 1.022 125 T CB 1.155 69.997 68.868 -0.043 0.000 1.013 125 T HN 0.267 nan 8.240 nan 0.000 0.465 126 Y N 1.202 121.549 120.300 0.079 0.000 2.377 126 Y HA 0.542 5.092 4.550 -0.000 0.000 0.339 126 Y C 1.102 176.948 175.900 -0.090 0.000 1.011 126 Y CA -0.854 57.164 58.100 -0.137 0.000 1.093 126 Y CB 1.878 40.043 38.460 -0.492 0.000 1.201 126 Y HN 0.973 nan 8.280 nan 0.000 0.455 127 S N 2.411 118.075 115.700 -0.061 0.000 2.617 127 S HA 0.203 4.673 4.470 -0.000 0.000 0.269 127 S C 1.082 175.679 174.600 -0.005 0.000 1.292 127 S CA -0.703 57.470 58.200 -0.045 0.000 1.010 127 S CB 0.775 63.931 63.200 -0.074 0.000 0.944 127 S HN 0.870 nan 8.310 nan 0.000 0.536 128 I N 1.138 121.703 120.570 -0.008 0.000 2.423 128 I HA -0.124 4.046 4.170 -0.000 0.000 0.254 128 I C 2.296 178.332 176.117 -0.135 0.000 1.151 128 I CA 1.612 62.922 61.300 0.016 0.000 1.421 128 I CB -0.668 37.198 38.000 -0.223 0.000 1.079 128 I HN 0.868 nan 8.210 nan 0.000 0.431 129 A N -0.088 122.568 122.820 -0.273 0.000 1.898 129 A HA -0.303 4.017 4.320 -0.000 0.000 0.216 129 A C 2.110 179.797 177.584 0.171 0.000 1.181 129 A CA 1.929 53.950 52.037 -0.028 0.000 0.620 129 A CB -1.041 18.080 19.000 0.201 0.000 0.819 129 A HN 0.698 nan 8.150 nan 0.000 0.442 130 H N -1.752 117.295 119.070 -0.040 0.000 2.319 130 H HA -0.227 4.329 4.556 -0.000 0.000 0.299 130 H C 1.845 177.065 175.328 -0.179 0.000 1.092 130 H CA 2.429 58.369 56.048 -0.180 0.000 1.302 130 H CB -0.366 29.142 29.762 -0.424 0.000 1.373 130 H HN 0.690 nan 8.280 nan 0.000 0.497 131 W N -0.664 120.726 121.300 0.150 0.000 2.358 131 W HA -0.109 4.551 4.660 -0.000 0.000 0.303 131 W C 2.056 178.609 176.519 0.056 0.000 1.208 131 W CA 0.260 57.636 57.345 0.051 0.000 1.274 131 W CB -0.507 29.008 29.460 0.092 0.000 1.138 131 W HN 0.127 nan 8.180 nan 0.000 0.515 132 F N 0.952 120.997 119.950 0.160 0.000 2.126 132 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 132 F C 2.524 178.379 175.800 0.092 0.000 1.096 132 F CA 1.824 59.901 58.000 0.129 0.000 1.255 132 F CB -1.102 37.991 39.000 0.155 0.000 0.997 132 F HN -0.055 nan 8.300 nan 0.000 0.479 133 Q N -0.143 119.794 119.800 0.228 0.000 2.030 133 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 133 Q C 2.172 178.187 176.000 0.024 0.000 0.986 133 Q CA 1.628 57.503 55.803 0.121 0.000 0.843 133 Q CB -0.328 28.471 28.738 0.102 0.000 0.904 133 Q HN 0.331 nan 8.270 nan 0.000 0.420 134 E N 0.155 120.308 120.200 -0.078 0.000 2.219 134 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 134 E C 1.399 178.005 176.600 0.011 0.000 0.998 134 E CA 1.174 57.535 56.400 -0.065 0.000 0.818 134 E CB -0.102 29.557 29.700 -0.069 0.000 0.741 134 E HN 0.327 nan 8.360 nan 0.000 0.477 135 A N -0.145 122.688 122.820 0.022 0.000 2.307 135 A HA 0.359 4.679 4.320 -0.000 0.000 0.218 135 A C 1.465 179.051 177.584 0.003 0.000 1.228 135 A CA 0.745 52.775 52.037 -0.012 0.000 0.857 135 A CB -0.147 18.800 19.000 -0.089 0.000 0.897 135 A HN 0.220 nan 8.150 nan 0.000 0.495 136 G N -0.440 108.382 108.800 0.037 0.000 2.176 136 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 136 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 136 G C 0.136 175.088 174.900 0.087 0.000 1.024 136 G CA 0.492 45.625 45.100 0.054 0.000 0.755 136 G HN 0.676 nan 8.290 nan 0.000 0.507 137 R N -0.419 120.163 120.500 0.137 0.000 2.832 137 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 137 R C 0.125 176.603 176.300 0.297 0.000 0.996 137 R CA -0.513 55.723 56.100 0.227 0.000 0.977 137 R CB 1.380 31.845 30.300 0.275 0.000 1.168 137 R HN 0.155 nan 8.270 nan 0.000 0.482 138 S N 0.334 116.215 115.700 0.300 0.000 2.632 138 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 138 S C -0.233 174.523 174.600 0.260 0.000 1.260 138 S CA -0.551 57.793 58.200 0.239 0.000 1.010 138 S CB 1.356 64.646 63.200 0.149 0.000 0.965 138 S HN 0.676 nan 8.310 nan 0.000 0.534 139 T N -1.442 113.207 114.554 0.159 0.000 2.900 139 T HA 0.840 5.190 4.350 -0.000 0.000 0.303 139 T C -0.347 174.223 174.700 -0.217 0.000 1.142 139 T CA -0.822 61.289 62.100 0.018 0.000 1.007 139 T CB 1.829 70.727 68.868 0.050 0.000 1.156 139 T HN 0.859 nan 8.240 nan 0.000 0.490 140 G N -0.590 107.963 108.800 -0.412 0.000 2.623 140 G HA2 0.687 4.647 3.960 -0.000 0.000 0.290 140 G HA3 0.687 4.647 3.960 -0.000 0.000 0.290 140 G C -1.961 172.662 174.900 -0.461 0.000 1.437 140 G CA -0.506 44.321 45.100 -0.455 0.000 0.798 140 G HN 1.304 nan 8.290 nan 0.000 0.488 141 V N -0.447 119.302 119.914 -0.275 0.000 2.851 141 V HA 0.769 4.889 4.120 -0.000 0.000 0.307 141 V C -1.347 174.718 176.094 -0.048 0.000 1.129 141 V CA -0.517 61.697 62.300 -0.144 0.000 0.932 141 V CB 1.968 33.791 31.823 0.000 0.000 1.024 141 V HN 0.851 nan 8.190 nan 0.000 0.426 142 V N 5.147 125.033 119.914 -0.047 0.000 2.638 142 V HA 0.875 4.995 4.120 -0.000 0.000 0.306 142 V C -0.217 175.898 176.094 0.035 0.000 1.052 142 V CA -0.033 62.270 62.300 0.004 0.000 0.885 142 V CB 2.024 33.827 31.823 -0.033 0.000 0.999 142 V HN 1.086 nan 8.190 nan 0.000 0.424 143 T N 1.271 115.877 114.554 0.086 0.000 2.840 143 T HA 0.330 4.680 4.350 -0.000 0.000 0.317 143 T C 0.713 175.483 174.700 0.116 0.000 1.401 143 T CA 0.300 62.458 62.100 0.096 0.000 1.028 143 T CB 1.976 70.917 68.868 0.122 0.000 1.317 143 T HN 0.813 nan 8.240 nan 0.000 0.495 144 S N 0.807 116.564 115.700 0.095 0.000 2.558 144 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 144 S C 1.069 175.745 174.600 0.127 0.000 0.975 144 S CA 0.526 58.785 58.200 0.099 0.000 0.912 144 S CB -0.627 62.606 63.200 0.054 0.000 0.776 144 S HN 1.042 nan 8.310 nan 0.000 0.526 145 T N -0.176 114.460 114.554 0.137 0.000 2.884 145 T HA 0.498 4.848 4.350 -0.000 0.000 0.277 145 T C 0.054 174.947 174.700 0.322 0.000 0.976 145 T CA -1.093 61.143 62.100 0.226 0.000 0.956 145 T CB 0.583 69.516 68.868 0.109 0.000 1.113 145 T HN 0.195 nan 8.240 nan 0.000 0.554 146 R N 0.377 121.124 120.500 0.412 0.000 2.697 146 R HA 0.164 4.504 4.340 -0.000 0.000 0.265 146 R C 1.690 178.144 176.300 0.257 0.000 1.009 146 R CA 0.285 56.505 56.100 0.201 0.000 1.099 146 R CB 0.295 30.622 30.300 0.044 0.000 0.965 146 R HN 0.650 nan 8.270 nan 0.000 0.428 147 V N -1.014 119.046 119.914 0.243 0.000 3.305 147 V HA -0.105 4.015 4.120 -0.000 0.000 0.269 147 V C 1.521 177.833 176.094 0.363 0.000 1.157 147 V CA 1.651 64.116 62.300 0.276 0.000 1.157 147 V CB -0.466 31.481 31.823 0.208 0.000 0.772 147 V HN 0.932 nan 8.190 nan 0.000 0.498 148 T N -3.565 111.182 114.554 0.321 0.000 3.086 148 T HA 0.180 4.530 4.350 -0.000 0.000 0.250 148 T C 0.775 175.612 174.700 0.227 0.000 1.074 148 T CA -0.110 62.147 62.100 0.262 0.000 0.988 148 T CB -0.693 68.252 68.868 0.129 0.000 0.988 148 T HN 0.706 nan 8.240 nan 0.000 0.530 149 H N 0.101 119.262 119.070 0.152 0.000 2.660 149 H HA 0.485 5.041 4.556 -0.000 0.000 0.374 149 H C 1.743 177.113 175.328 0.070 0.000 1.291 149 H CA -0.074 56.060 56.048 0.144 0.000 1.437 149 H CB 1.237 31.144 29.762 0.242 0.000 1.509 149 H HN 0.211 nan 8.280 nan 0.000 0.614 150 A N 2.035 124.696 122.820 -0.265 0.000 1.917 150 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 150 A C 2.349 179.865 177.584 -0.112 0.000 1.182 150 A CA 2.331 54.246 52.037 -0.203 0.000 0.633 150 A CB -1.020 17.836 19.000 -0.241 0.000 0.819 150 A HN 0.819 nan 8.150 nan 0.000 0.448 151 T N 0.517 115.065 114.554 -0.011 0.000 2.614 151 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 151 T C -0.107 174.614 174.700 0.035 0.000 1.055 151 T CA 1.721 63.850 62.100 0.050 0.000 1.162 151 T CB -1.314 67.635 68.868 0.134 0.000 0.863 151 T HN 0.483 nan 8.240 nan 0.000 0.414 152 P HA -0.046 nan 4.420 nan 0.000 0.216 152 P C 1.394 178.710 177.300 0.026 0.000 1.150 152 P CA 1.455 64.651 63.100 0.159 0.000 0.837 152 P CB -0.262 31.598 31.700 0.267 0.000 0.786 153 A N 0.439 123.153 122.820 -0.178 0.000 1.978 153 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 153 A C 2.590 179.780 177.584 -0.657 0.000 1.170 153 A CA 1.895 53.514 52.037 -0.697 0.000 0.636 153 A CB -1.927 16.815 19.000 -0.430 0.000 0.810 153 A HN 0.308 nan 8.150 nan 0.000 0.448 154 G N -0.348 108.234 108.800 -0.363 0.000 2.462 154 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 154 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 154 G C 1.597 176.331 174.900 -0.276 0.000 1.121 154 G CA 1.838 46.731 45.100 -0.345 0.000 0.758 154 G HN 0.727 nan 8.290 nan 0.000 0.559 155 T N -2.360 112.125 114.554 -0.116 0.000 3.085 155 T HA 0.047 4.397 4.350 -0.000 0.000 0.263 155 T C 1.726 176.539 174.700 0.189 0.000 1.127 155 T CA 1.311 63.468 62.100 0.096 0.000 1.103 155 T CB -0.293 68.790 68.868 0.358 0.000 0.921 155 T HN 0.725 nan 8.240 nan 0.000 0.510 156 Y N -0.753 119.519 120.300 -0.046 0.000 2.449 156 Y HA 0.784 5.334 4.550 -0.000 0.000 0.278 156 Y C 0.632 176.339 175.900 -0.323 0.000 1.066 156 Y CA -1.040 56.980 58.100 -0.134 0.000 1.166 156 Y CB -0.046 38.325 38.460 -0.148 0.000 1.346 156 Y HN 0.290 nan 8.280 nan 0.000 0.562 157 A N 1.201 123.613 122.820 -0.679 0.000 2.269 157 A HA 0.719 5.039 4.320 -0.000 0.000 0.319 157 A C -1.546 175.578 177.584 -0.767 0.000 1.110 157 A CA -0.510 51.197 52.037 -0.551 0.000 0.847 157 A CB 0.076 18.774 19.000 -0.503 0.000 1.161 157 A HN 0.547 nan 8.150 nan 0.000 0.497 158 H N -0.588 118.287 119.070 -0.325 0.000 3.036 158 H HA 0.488 5.044 4.556 -0.000 0.000 0.295 158 H C -0.639 174.539 175.328 -0.251 0.000 1.124 158 H CA -0.431 55.333 56.048 -0.473 0.000 1.507 158 H CB 1.351 30.494 29.762 -1.031 0.000 1.591 158 H HN 0.620 nan 8.280 nan 0.000 0.510 159 V N -0.607 119.245 119.914 -0.103 0.000 3.007 159 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 159 V C 0.623 176.659 176.094 -0.097 0.000 1.120 159 V CA -0.719 61.584 62.300 0.004 0.000 0.980 159 V CB 1.997 33.843 31.823 0.037 0.000 1.033 159 V HN 0.644 nan 8.190 nan 0.000 0.429 160 A N 0.790 123.563 122.820 -0.079 0.000 2.178 160 A HA 0.300 4.620 4.320 -0.000 0.000 0.211 160 A C 0.612 177.831 177.584 -0.608 0.000 1.157 160 A CA 1.030 52.929 52.037 -0.230 0.000 0.780 160 A CB -0.372 18.637 19.000 0.015 0.000 0.828 160 A HN 0.952 nan 8.150 nan 0.000 0.476 161 D N -1.018 118.758 120.400 -1.039 0.000 2.890 161 D HA 0.204 4.844 4.640 -0.000 0.000 0.233 161 D C 0.822 176.694 176.300 -0.713 0.000 1.306 161 D CA -0.430 52.942 54.000 -1.046 0.000 0.929 161 D CB 1.203 41.002 40.800 -1.668 0.000 1.512 161 D HN 0.277 nan 8.370 nan 0.000 0.568 162 R N 1.892 122.148 120.500 -0.408 0.000 2.249 162 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 162 R C 0.415 176.611 176.300 -0.175 0.000 1.121 162 R CA 0.970 56.918 56.100 -0.252 0.000 0.997 162 R CB -0.005 30.167 30.300 -0.213 0.000 0.867 162 R HN 0.132 nan 8.270 nan 0.000 0.465 163 D N 0.244 120.512 120.400 -0.220 0.000 2.350 163 D HA -0.119 4.521 4.640 -0.000 0.000 0.216 163 D C -0.024 176.349 176.300 0.122 0.000 0.968 163 D CA 0.661 54.628 54.000 -0.055 0.000 0.894 163 D CB -0.087 40.695 40.800 -0.029 0.000 0.909 163 D HN 0.357 nan 8.370 nan 0.000 0.520 164 W N 2.211 123.488 121.300 -0.038 0.000 1.564 164 W HA 0.184 4.844 4.660 -0.000 0.000 0.448 164 W C 1.119 177.601 176.519 -0.063 0.000 0.601 164 W CA -0.838 56.482 57.345 -0.043 0.000 2.326 164 W CB -1.106 28.334 29.460 -0.032 0.000 1.355 164 W HN 0.124 nan 8.180 nan 0.000 0.382 165 E N 0.715 120.987 120.200 0.120 0.000 2.107 165 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 165 E C 0.672 177.226 176.600 -0.077 0.000 0.982 165 E CA 1.002 57.412 56.400 0.017 0.000 0.809 165 E CB 0.304 30.005 29.700 0.003 0.000 0.756 165 E HN 0.357 nan 8.360 nan 0.000 0.459 166 N N -0.604 118.047 118.700 -0.082 0.000 2.831 166 N HA -0.026 4.714 4.740 -0.000 0.000 0.276 166 N C 0.123 175.565 175.510 -0.112 0.000 1.416 166 N CA -0.432 52.525 53.050 -0.155 0.000 0.799 166 N CB 0.674 39.016 38.487 -0.241 0.000 1.554 166 N HN -0.244 nan 8.380 nan 0.000 0.541 167 D N -0.718 119.604 120.400 -0.129 0.000 2.178 167 D HA -0.201 4.438 4.640 -0.000 0.000 0.202 167 D C 1.325 177.556 176.300 -0.115 0.000 0.974 167 D CA 1.647 55.573 54.000 -0.124 0.000 0.841 167 D CB -0.496 40.241 40.800 -0.105 0.000 0.953 167 D HN 0.549 nan 8.370 nan 0.000 0.478 168 S N 0.823 116.464 115.700 -0.098 0.000 2.399 168 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 168 S C 1.539 176.122 174.600 -0.029 0.000 1.022 168 S CA 1.170 59.330 58.200 -0.066 0.000 0.983 168 S CB -0.198 62.958 63.200 -0.073 0.000 0.803 168 S HN 0.092 nan 8.310 nan 0.000 0.480 169 D N 1.374 121.758 120.400 -0.027 0.000 2.117 169 D HA -0.014 4.625 4.640 -0.000 0.000 0.198 169 D C 2.178 178.512 176.300 0.056 0.000 0.982 169 D CA 1.143 55.184 54.000 0.068 0.000 0.828 169 D CB -0.374 40.512 40.800 0.143 0.000 0.967 169 D HN 0.369 nan 8.370 nan 0.000 0.464 170 V N 1.142 120.925 119.914 -0.219 0.000 2.343 170 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 170 V C 2.736 178.647 176.094 -0.305 0.000 1.051 170 V CA 1.012 62.943 62.300 -0.616 0.000 1.036 170 V CB -0.489 30.936 31.823 -0.664 0.000 0.654 170 V HN 0.039 nan 8.190 nan 0.000 0.451 171 V N -0.119 119.703 119.914 -0.154 0.000 2.343 171 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 171 V C 2.420 178.512 176.094 -0.002 0.000 1.051 171 V CA 2.546 64.799 62.300 -0.078 0.000 1.036 171 V CB -0.919 30.873 31.823 -0.051 0.000 0.654 171 V HN 0.725 nan 8.190 nan 0.000 0.451 172 H N 0.222 119.267 119.070 -0.041 0.000 2.422 172 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 172 H C 1.591 176.941 175.328 0.037 0.000 1.098 172 H CA 1.756 57.808 56.048 0.006 0.000 1.315 172 H CB 0.007 29.787 29.762 0.030 0.000 1.382 172 H HN 0.370 nan 8.280 nan 0.000 0.523 173 D N 0.229 120.704 120.400 0.125 0.000 2.325 173 D HA 0.038 4.678 4.640 -0.000 0.000 0.225 173 D C 0.289 176.608 176.300 0.031 0.000 1.096 173 D CA 0.140 54.215 54.000 0.126 0.000 0.844 173 D CB 0.201 41.242 40.800 0.402 0.000 0.925 173 D HN 0.322 nan 8.370 nan 0.000 0.513 174 R N 0.242 120.719 120.500 -0.038 0.000 3.776 174 R HA -0.132 4.208 4.340 -0.000 0.000 0.312 174 R C -0.191 176.073 176.300 -0.060 0.000 1.181 174 R CA 0.661 56.732 56.100 -0.048 0.000 0.836 174 R CB -1.974 28.307 30.300 -0.031 0.000 1.324 174 R HN 0.288 nan 8.270 nan 0.000 0.501 175 E N 0.920 121.046 120.200 -0.123 0.000 2.239 175 E HA 0.211 4.561 4.350 -0.000 0.000 0.261 175 E C -0.199 176.284 176.600 -0.194 0.000 1.016 175 E CA -0.735 55.559 56.400 -0.177 0.000 0.882 175 E CB 0.925 30.422 29.700 -0.339 0.000 1.190 175 E HN -0.044 nan 8.360 nan 0.000 0.415 176 D N 1.635 121.935 120.400 -0.168 0.000 2.380 176 D HA 0.153 4.793 4.640 -0.000 0.000 0.230 176 D C -1.808 174.399 176.300 -0.155 0.000 1.154 176 D CA -2.309 51.612 54.000 -0.132 0.000 0.859 176 D CB 1.048 41.796 40.800 -0.088 0.000 1.045 176 D HN -0.073 nan 8.370 nan 0.000 0.495 177 P HA -0.078 nan 4.420 nan 0.000 0.225 177 P C 0.915 178.155 177.300 -0.101 0.000 1.148 177 P CA 0.715 63.724 63.100 -0.151 0.000 0.779 177 P CB 0.455 32.078 31.700 -0.127 0.000 0.780 178 E N -0.617 119.533 120.200 -0.083 0.000 2.216 178 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 178 E C 1.768 178.335 176.600 -0.054 0.000 0.988 178 E CA 0.825 57.188 56.400 -0.061 0.000 0.834 178 E CB -0.072 29.595 29.700 -0.054 0.000 0.772 178 E HN 0.357 nan 8.360 nan 0.000 0.479 179 I N -2.599 117.935 120.570 -0.060 0.000 4.288 179 I HA 0.195 4.365 4.170 -0.000 0.000 0.331 179 I C 0.450 176.547 176.117 -0.034 0.000 1.322 179 I CA -0.200 61.075 61.300 -0.040 0.000 1.149 179 I CB 1.173 39.152 38.000 -0.035 0.000 1.112 179 I HN -0.147 nan 8.210 nan 0.000 0.403 180 C N 3.438 122.690 119.300 -0.080 0.000 2.135 180 C HA 0.403 4.863 4.460 -0.000 0.000 0.345 180 C C -0.222 174.719 174.990 -0.081 0.000 1.067 180 C CA -0.726 58.230 59.018 -0.104 0.000 1.517 180 C CB -1.635 25.935 27.740 -0.283 0.000 1.923 180 C HN 0.348 nan 8.230 nan 0.000 0.466 181 D N 4.150 124.557 120.400 0.011 0.000 2.371 181 D HA 0.194 4.834 4.640 -0.000 0.000 0.256 181 D C 0.373 176.707 176.300 0.057 0.000 1.193 181 D CA 0.625 54.651 54.000 0.043 0.000 0.881 181 D CB 0.946 41.805 40.800 0.098 0.000 1.143 181 D HN 0.754 nan 8.370 nan 0.000 0.473 182 D N 0.535 120.948 120.400 0.023 0.000 2.398 182 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 182 D C 1.271 177.606 176.300 0.058 0.000 1.227 182 D CA -0.573 53.453 54.000 0.044 0.000 0.980 182 D CB 0.973 41.758 40.800 -0.024 0.000 1.106 182 D HN 0.255 nan 8.370 nan 0.000 0.493 183 I N -0.019 120.586 120.570 0.058 0.000 2.252 183 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 183 I C 2.458 178.625 176.117 0.083 0.000 1.102 183 I CA 1.380 62.727 61.300 0.079 0.000 1.385 183 I CB -0.414 37.614 38.000 0.047 0.000 1.064 183 I HN 0.617 nan 8.210 nan 0.000 0.414 184 A N 0.316 123.069 122.820 -0.112 0.000 1.877 184 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 184 A C 2.233 179.706 177.584 -0.184 0.000 1.186 184 A CA 1.788 53.612 52.037 -0.355 0.000 0.620 184 A CB -0.649 17.789 19.000 -0.936 0.000 0.822 184 A HN 0.411 nan 8.150 nan 0.000 0.443 185 E N -0.453 119.690 120.200 -0.095 0.000 2.070 185 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 185 E C 2.321 178.974 176.600 0.089 0.000 1.004 185 E CA 1.719 58.146 56.400 0.045 0.000 0.805 185 E CB -0.196 29.604 29.700 0.167 0.000 0.744 185 E HN 0.745 nan 8.360 nan 0.000 0.451 186 Q N -0.034 119.839 119.800 0.122 0.000 2.170 186 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 186 Q C 2.287 178.331 176.000 0.074 0.000 0.976 186 Q CA 0.800 56.698 55.803 0.159 0.000 0.858 186 Q CB -0.112 28.742 28.738 0.194 0.000 0.907 186 Q HN 0.215 nan 8.270 nan 0.000 0.433 187 L N -0.039 121.177 121.223 -0.012 0.000 2.093 187 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 187 L C 1.934 178.660 176.870 -0.240 0.000 1.085 187 L CA 1.401 56.022 54.840 -0.365 0.000 0.755 187 L CB -0.161 41.667 42.059 -0.386 0.000 0.904 187 L HN -0.042 nan 8.230 nan 0.000 0.435 188 V N -1.358 118.446 119.914 -0.184 0.000 2.599 188 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 188 V C 1.883 177.822 176.094 -0.259 0.000 1.046 188 V CA 1.241 63.399 62.300 -0.237 0.000 1.065 188 V CB -0.482 31.062 31.823 -0.465 0.000 0.703 188 V HN 0.295 nan 8.190 nan 0.000 0.464 189 F N 0.061 120.038 119.950 0.045 0.000 2.714 189 F HA 0.352 4.879 4.527 -0.000 0.000 0.294 189 F C 1.311 177.130 175.800 0.031 0.000 1.120 189 F CA -0.250 57.769 58.000 0.032 0.000 1.398 189 F CB -0.039 38.982 39.000 0.035 0.000 1.120 189 F HN 0.006 nan 8.300 nan 0.000 0.589 190 R N 0.053 120.663 120.500 0.183 0.000 2.919 190 R HA 0.446 4.786 4.340 -0.000 0.000 0.260 190 R C -0.442 175.915 176.300 0.096 0.000 1.067 190 R CA -1.047 55.145 56.100 0.154 0.000 1.003 190 R CB 1.370 31.785 30.300 0.193 0.000 1.192 190 R HN -0.045 nan 8.270 nan 0.000 0.488 191 E N 1.296 121.576 120.200 0.132 0.000 2.319 191 E HA 0.217 4.567 4.350 -0.000 0.000 0.268 191 E C -2.091 174.615 176.600 0.176 0.000 1.050 191 E CA -1.670 54.805 56.400 0.125 0.000 0.878 191 E CB 0.598 30.395 29.700 0.162 0.000 1.066 191 E HN 0.229 nan 8.360 nan 0.000 0.406 192 P HA 0.079 nan 4.420 nan 0.000 0.245 192 P C 1.065 178.211 177.300 -0.257 0.000 1.206 192 P CA 0.528 63.684 63.100 0.094 0.000 0.781 192 P CB 0.276 32.135 31.700 0.265 0.000 0.994 193 G N 2.741 111.251 108.800 -0.483 0.000 2.440 193 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 193 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 193 G C 1.505 176.057 174.900 -0.579 0.000 1.154 193 G CA 0.971 45.441 45.100 -1.050 0.000 0.767 193 G HN 0.436 nan 8.290 nan 0.000 0.552 194 K N 0.368 120.635 120.400 -0.222 0.000 2.360 194 K HA -0.039 4.281 4.320 -0.000 0.000 0.201 194 K C 1.403 177.994 176.600 -0.015 0.000 1.046 194 K CA 1.538 57.780 56.287 -0.075 0.000 0.945 194 K CB -0.352 32.134 32.500 -0.024 0.000 0.750 194 K HN 0.415 nan 8.250 nan 0.000 0.464 195 N N -0.373 118.354 118.700 0.045 0.000 2.254 195 N HA 0.094 4.834 4.740 -0.000 0.000 0.190 195 N C -0.679 175.086 175.510 0.424 0.000 1.107 195 N CA -0.555 52.620 53.050 0.208 0.000 0.869 195 N CB 0.197 38.803 38.487 0.198 0.000 0.983 195 N HN -0.061 nan 8.380 nan 0.000 0.487 196 F N 2.160 122.229 119.950 0.198 0.000 2.629 196 F HA -0.007 4.520 4.527 -0.000 0.000 0.377 196 F C 1.618 177.608 175.800 0.315 0.000 1.101 196 F CA -0.146 57.978 58.000 0.208 0.000 1.301 196 F CB 0.587 39.676 39.000 0.148 0.000 1.062 196 F HN -0.103 nan 8.300 nan 0.000 0.583 197 K N 1.847 122.471 120.400 0.374 0.000 2.167 197 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 197 K C 0.091 176.850 176.600 0.265 0.000 1.052 197 K CA 0.675 57.098 56.287 0.226 0.000 0.956 197 K CB -0.024 32.471 32.500 -0.008 0.000 0.735 197 K HN 0.291 nan 8.250 nan 0.000 0.451 198 V N 1.634 121.662 119.914 0.190 0.000 2.709 198 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 198 V C -0.613 175.548 176.094 0.112 0.000 1.062 198 V CA -0.801 61.572 62.300 0.121 0.000 0.901 198 V CB 2.351 34.173 31.823 -0.001 0.000 1.003 198 V HN -0.032 nan 8.190 nan 0.000 0.425 199 I N 5.146 125.758 120.570 0.071 0.000 2.534 199 I HA 0.539 4.708 4.170 -0.000 0.000 0.286 199 I C -0.739 175.353 176.117 -0.041 0.000 1.094 199 I CA -0.160 61.152 61.300 0.019 0.000 1.055 199 I CB 1.791 39.757 38.000 -0.057 0.000 1.225 199 I HN 0.425 nan 8.210 nan 0.000 0.435 200 M N 4.613 124.225 119.600 0.020 0.000 2.386 200 M HA 0.788 5.268 4.480 -0.000 0.000 0.293 200 M C 0.048 176.421 176.300 0.123 0.000 1.120 200 M CA -0.398 54.946 55.300 0.073 0.000 0.909 200 M CB 2.696 35.399 32.600 0.172 0.000 1.661 200 M HN 0.835 nan 8.290 nan 0.000 0.452 201 G N 1.331 110.223 108.800 0.153 0.000 2.441 201 G HA2 0.441 4.401 3.960 -0.000 0.000 0.222 201 G HA3 0.441 4.401 3.960 -0.000 0.000 0.222 201 G C -1.083 173.922 174.900 0.174 0.000 1.254 201 G CA -0.159 45.063 45.100 0.204 0.000 0.959 201 G HN 0.921 nan 8.290 nan 0.000 0.474 202 G N -2.182 106.719 108.800 0.168 0.000 2.971 202 G HA2 0.666 4.626 3.960 -0.000 0.000 0.235 202 G HA3 0.666 4.626 3.960 -0.000 0.000 0.235 202 G C 0.967 175.927 174.900 0.101 0.000 1.351 202 G CA 0.587 45.770 45.100 0.138 0.000 1.039 202 G HN 2.397 nan 8.290 nan 0.000 0.563 203 G N -1.230 107.607 108.800 0.061 0.000 2.140 203 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.211 203 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.211 203 G C 1.166 176.131 174.900 0.107 0.000 1.013 203 G CA 0.676 45.792 45.100 0.027 0.000 0.705 203 G HN 0.662 nan 8.290 nan 0.000 0.508 204 R N 0.259 120.818 120.500 0.099 0.000 2.133 204 R HA -0.218 4.122 4.340 -0.000 0.000 0.247 204 R C 2.827 179.206 176.300 0.132 0.000 1.151 204 R CA 1.958 58.205 56.100 0.246 0.000 0.971 204 R CB -0.417 30.093 30.300 0.350 0.000 0.866 204 R HN 0.737 nan 8.270 nan 0.000 0.447 205 R N 0.209 120.457 120.500 -0.420 0.000 2.185 205 R HA -0.117 4.223 4.340 -0.000 0.000 0.247 205 R C 1.872 177.761 176.300 -0.684 0.000 1.159 205 R CA 1.840 57.353 56.100 -0.978 0.000 0.988 205 R CB -0.678 28.707 30.300 -1.525 0.000 0.871 205 R HN 0.241 nan 8.270 nan 0.000 0.458 206 G N -0.746 107.820 108.800 -0.391 0.000 2.920 206 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 206 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 206 G C 0.472 175.020 174.900 -0.586 0.000 1.159 206 G CA -0.182 44.629 45.100 -0.483 0.000 0.784 206 G HN 0.348 nan 8.290 nan 0.000 0.535 207 F N -0.286 119.521 119.950 -0.238 0.000 2.682 207 F HA 0.394 4.920 4.527 -0.000 0.000 0.308 207 F C 0.155 175.953 175.800 -0.003 0.000 1.093 207 F CA -1.016 56.925 58.000 -0.098 0.000 1.244 207 F CB 0.424 39.395 39.000 -0.048 0.000 1.052 207 F HN 0.109 nan 8.300 nan 0.000 0.573 208 F N -1.619 118.307 119.950 -0.041 0.000 2.613 208 F HA 0.848 5.375 4.527 -0.000 0.000 0.314 208 F C -3.311 172.380 175.800 -0.182 0.000 1.075 208 F CA -3.506 54.392 58.000 -0.168 0.000 0.945 208 F CB 0.567 39.504 39.000 -0.105 0.000 1.310 208 F HN -0.375 nan 8.300 nan 0.000 0.467 209 P HA 0.253 nan 4.420 nan 0.000 0.278 209 P C -0.043 177.251 177.300 -0.010 0.000 1.266 209 P CA -0.239 62.793 63.100 -0.114 0.000 0.807 209 P CB 0.914 32.549 31.700 -0.108 0.000 1.094 210 E N 0.053 120.237 120.200 -0.027 0.000 2.209 210 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 210 E C 1.060 177.702 176.600 0.070 0.000 0.993 210 E CA 1.372 57.783 56.400 0.018 0.000 0.819 210 E CB -0.238 29.463 29.700 0.003 0.000 0.745 210 E HN 0.517 nan 8.360 nan 0.000 0.477 211 E N 0.369 120.613 120.200 0.073 0.000 2.358 211 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 211 E C 0.160 176.837 176.600 0.130 0.000 1.010 211 E CA 0.426 56.879 56.400 0.089 0.000 0.856 211 E CB 0.318 30.069 29.700 0.084 0.000 0.795 211 E HN 0.201 nan 8.360 nan 0.000 0.504 212 A N 0.225 123.161 122.820 0.193 0.000 2.299 212 A HA 0.692 5.011 4.320 -0.000 0.000 0.332 212 A C -0.761 176.982 177.584 0.265 0.000 1.131 212 A CA -0.647 51.526 52.037 0.225 0.000 0.844 212 A CB 0.801 19.974 19.000 0.289 0.000 1.251 212 A HN 0.126 nan 8.150 nan 0.000 0.486 213 L N 0.546 121.823 121.223 0.089 0.000 2.342 213 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 213 L C -0.403 176.346 176.870 -0.201 0.000 1.008 213 L CA -0.889 53.990 54.840 0.065 0.000 0.818 213 L CB 1.820 43.884 42.059 0.008 0.000 1.296 213 L HN 0.836 nan 8.230 nan 0.000 0.427 214 D N 1.567 121.943 120.400 -0.039 0.000 2.443 214 D HA 0.176 4.816 4.640 -0.000 0.000 0.239 214 D C 0.046 176.206 176.300 -0.234 0.000 1.136 214 D CA -0.016 53.887 54.000 -0.162 0.000 0.879 214 D CB 0.776 41.756 40.800 0.300 0.000 1.195 214 D HN 0.208 nan 8.370 nan 0.000 0.443 215 I N 3.089 123.445 120.570 -0.356 0.000 2.892 215 I HA -0.052 4.118 4.170 -0.000 0.000 0.287 215 I C 1.510 177.481 176.117 -0.243 0.000 1.205 215 I CA 0.354 61.400 61.300 -0.422 0.000 1.409 215 I CB 0.422 37.926 38.000 -0.828 0.000 1.367 215 I HN 0.772 nan 8.210 nan 0.000 0.597 216 E N 1.859 121.952 120.200 -0.178 0.000 4.231 216 E HA -0.259 4.091 4.350 -0.000 0.000 0.174 216 E C 0.523 177.116 176.600 -0.011 0.000 1.158 216 E CA 1.838 58.222 56.400 -0.026 0.000 2.501 216 E CB -0.834 28.897 29.700 0.051 0.000 1.722 216 E HN 0.792 nan 8.360 nan 0.000 0.491 217 D N -0.710 119.679 120.400 -0.018 0.000 2.423 217 D HA 0.186 4.826 4.640 -0.000 0.000 0.208 217 D C 1.250 177.521 176.300 -0.049 0.000 1.068 217 D CA 1.132 55.114 54.000 -0.030 0.000 0.860 217 D CB 0.756 41.523 40.800 -0.056 0.000 0.992 217 D HN 0.474 nan 8.370 nan 0.000 0.504 218 G N 1.899 110.672 108.800 -0.045 0.000 2.225 218 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.267 218 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.267 218 G C 0.252 175.138 174.900 -0.024 0.000 1.024 218 G CA 0.036 45.116 45.100 -0.034 0.000 0.784 218 G HN 0.349 nan 8.290 nan 0.000 0.507 219 I N 1.286 121.823 120.570 -0.055 0.000 2.416 219 I HA 0.234 4.404 4.170 -0.000 0.000 0.288 219 I C -1.672 174.510 176.117 0.109 0.000 1.051 219 I CA -2.320 58.894 61.300 -0.143 0.000 1.375 219 I CB 1.090 38.706 38.000 -0.640 0.000 1.407 219 I HN -0.126 nan 8.210 nan 0.000 0.516 220 P HA -0.017 nan 4.420 nan 0.000 0.264 220 P C 0.266 177.728 177.300 0.270 0.000 1.183 220 P CA 0.043 63.269 63.100 0.211 0.000 0.763 220 P CB 0.425 32.184 31.700 0.099 0.000 0.807 221 G N 2.175 111.099 108.800 0.207 0.000 2.684 221 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.255 221 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.255 221 G C 0.510 175.248 174.900 -0.271 0.000 1.219 221 G CA -0.303 44.494 45.100 -0.506 0.000 0.901 221 G HN 0.499 nan 8.290 nan 0.000 0.548 222 E N -0.536 119.429 120.200 -0.392 0.000 2.415 222 E HA 0.013 4.363 4.350 -0.000 0.000 0.197 222 E C 0.812 177.293 176.600 -0.198 0.000 1.007 222 E CA -0.123 56.139 56.400 -0.230 0.000 0.890 222 E CB 0.333 29.886 29.700 -0.245 0.000 0.891 222 E HN 0.327 nan 8.360 nan 0.000 0.496 223 R N 1.224 121.579 120.500 -0.242 0.000 2.590 223 R HA 0.054 4.394 4.340 -0.000 0.000 0.274 223 R C 0.576 176.809 176.300 -0.112 0.000 1.061 223 R CA 0.498 56.493 56.100 -0.176 0.000 1.081 223 R CB 0.431 30.622 30.300 -0.182 0.000 0.984 223 R HN 0.165 nan 8.270 nan 0.000 0.448 224 E N 0.880 121.029 120.200 -0.085 0.000 2.526 224 E HA -0.037 4.313 4.350 -0.000 0.000 0.208 224 E C -0.283 176.292 176.600 -0.042 0.000 0.997 224 E CA 0.078 56.445 56.400 -0.055 0.000 0.961 224 E CB 0.522 30.193 29.700 -0.048 0.000 1.030 224 E HN 0.566 nan 8.360 nan 0.000 0.483 225 D N -0.597 119.776 120.400 -0.044 0.000 2.424 225 D HA 0.096 4.736 4.640 -0.000 0.000 0.220 225 D C 1.259 177.557 176.300 -0.004 0.000 1.150 225 D CA 0.123 54.108 54.000 -0.025 0.000 0.831 225 D CB 0.135 40.919 40.800 -0.026 0.000 0.981 225 D HN 0.107 nan 8.370 nan 0.000 0.500 226 G N 0.691 109.487 108.800 -0.008 0.000 2.200 226 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 226 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 226 G C 0.221 175.146 174.900 0.043 0.000 0.986 226 G CA 0.573 45.685 45.100 0.020 0.000 0.677 226 G HN 0.472 nan 8.290 nan 0.000 0.532 227 K N -0.135 120.277 120.400 0.020 0.000 2.218 227 K HA 0.417 4.737 4.320 -0.000 0.000 0.276 227 K C -0.411 176.192 176.600 0.006 0.000 1.022 227 K CA -0.474 55.868 56.287 0.092 0.000 0.946 227 K CB 0.448 33.025 32.500 0.128 0.000 1.000 227 K HN 0.374 nan 8.250 nan 0.000 0.468 228 H N 2.753 121.894 119.070 0.119 0.000 2.643 228 H HA 0.139 4.694 4.556 -0.000 0.000 0.259 228 H C 0.616 176.010 175.328 0.110 0.000 1.298 228 H CA -0.139 55.981 56.048 0.120 0.000 1.301 228 H CB 0.173 29.983 29.762 0.081 0.000 1.422 228 H HN 0.434 nan 8.280 nan 0.000 0.521 229 L N 1.746 123.075 121.223 0.177 0.000 2.217 229 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 229 L C 1.411 178.334 176.870 0.089 0.000 1.107 229 L CA 0.485 55.400 54.840 0.125 0.000 0.783 229 L CB -0.141 42.000 42.059 0.135 0.000 0.919 229 L HN 0.619 nan 8.230 nan 0.000 0.442 230 I N 0.152 120.739 120.570 0.029 0.000 2.233 230 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 230 I C 2.773 178.876 176.117 -0.024 0.000 1.093 230 I CA 2.020 63.215 61.300 -0.175 0.000 1.380 230 I CB -1.585 36.105 38.000 -0.517 0.000 1.067 230 I HN 0.376 nan 8.210 nan 0.000 0.413 231 T N -1.343 113.225 114.554 0.024 0.000 2.867 231 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 231 T C 1.539 176.286 174.700 0.078 0.000 1.057 231 T CA 1.168 63.296 62.100 0.046 0.000 1.136 231 T CB -0.407 68.476 68.868 0.025 0.000 0.874 231 T HN 0.165 nan 8.240 nan 0.000 0.466 232 D N 0.411 120.878 120.400 0.112 0.000 2.123 232 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 232 D C 1.451 177.797 176.300 0.076 0.000 0.992 232 D CA 0.977 55.051 54.000 0.124 0.000 0.833 232 D CB -0.518 40.386 40.800 0.174 0.000 0.954 232 D HN 0.630 nan 8.370 nan 0.000 0.455 233 W N 1.361 122.587 121.300 -0.125 0.000 2.355 233 W HA -0.091 4.569 4.660 -0.000 0.000 0.309 233 W C 2.134 178.577 176.519 -0.126 0.000 1.206 233 W CA 1.044 58.293 57.345 -0.160 0.000 1.284 233 W CB -0.422 28.916 29.460 -0.204 0.000 1.145 233 W HN -0.095 nan 8.180 nan 0.000 0.502 234 L N 0.347 121.634 121.223 0.107 0.000 2.017 234 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 234 L C 2.290 179.082 176.870 -0.131 0.000 1.073 234 L CA 1.806 56.631 54.840 -0.025 0.000 0.745 234 L CB -0.999 41.127 42.059 0.112 0.000 0.894 234 L HN -0.088 nan 8.230 nan 0.000 0.432 235 D N -0.250 120.114 120.400 -0.060 0.000 2.149 235 D HA -0.233 4.407 4.640 -0.000 0.000 0.198 235 D C 1.728 177.966 176.300 -0.104 0.000 0.990 235 D CA 1.562 55.529 54.000 -0.055 0.000 0.839 235 D CB -0.257 40.538 40.800 -0.008 0.000 0.948 235 D HN 0.352 nan 8.370 nan 0.000 0.460 236 D N 0.109 120.418 120.400 -0.151 0.000 2.117 236 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 236 D C 1.754 177.885 176.300 -0.281 0.000 0.987 236 D CA 1.209 55.096 54.000 -0.188 0.000 0.829 236 D CB 0.245 40.919 40.800 -0.210 0.000 0.961 236 D HN -0.142 nan 8.370 nan 0.000 0.460 237 K N 0.584 120.716 120.400 -0.448 0.000 2.002 237 K HA -0.004 4.316 4.320 -0.000 0.000 0.209 237 K C 2.182 178.650 176.600 -0.219 0.000 1.048 237 K CA 1.275 57.277 56.287 -0.475 0.000 0.930 237 K CB -1.139 30.947 32.500 -0.690 0.000 0.714 237 K HN 0.233 nan 8.250 nan 0.000 0.438 238 A N 1.658 124.383 122.820 -0.159 0.000 1.883 238 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 238 A C 2.316 179.863 177.584 -0.061 0.000 1.186 238 A CA 2.647 54.638 52.037 -0.077 0.000 0.624 238 A CB -0.865 18.104 19.000 -0.052 0.000 0.822 238 A HN 0.457 nan 8.150 nan 0.000 0.444 239 S N -0.699 114.960 115.700 -0.070 0.000 2.507 239 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 239 S C 1.530 176.104 174.600 -0.044 0.000 0.988 239 S CA 1.260 59.431 58.200 -0.047 0.000 0.944 239 S CB -0.403 62.773 63.200 -0.040 0.000 0.762 239 S HN 0.683 nan 8.310 nan 0.000 0.526 240 Q N 0.274 120.038 119.800 -0.060 0.000 2.403 240 Q HA 0.307 4.647 4.340 -0.000 0.000 0.203 240 Q C 1.261 177.255 176.000 -0.011 0.000 0.932 240 Q CA 0.257 56.037 55.803 -0.037 0.000 0.945 240 Q CB 0.096 28.802 28.738 -0.053 0.000 1.045 240 Q HN 0.773 nan 8.270 nan 0.000 0.511 241 G N 0.424 109.216 108.800 -0.013 0.000 2.136 241 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 241 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 241 G C 0.036 174.946 174.900 0.016 0.000 0.989 241 G CA 0.108 45.209 45.100 0.001 0.000 0.682 241 G HN 0.493 nan 8.290 nan 0.000 0.522 242 A N -0.292 122.541 122.820 0.022 0.000 2.311 242 A HA 0.952 5.272 4.320 -0.000 0.000 0.334 242 A C 0.565 178.181 177.584 0.053 0.000 1.139 242 A CA 0.539 52.615 52.037 0.066 0.000 0.830 242 A CB 0.956 20.065 19.000 0.181 0.000 1.234 242 A HN 1.587 nan 8.150 nan 0.000 0.483 243 T N -0.808 113.786 114.554 0.067 0.000 2.882 243 T HA 0.708 5.058 4.350 -0.000 0.000 0.287 243 T C -0.133 174.627 174.700 0.100 0.000 0.992 243 T CA 0.107 62.243 62.100 0.060 0.000 1.076 243 T CB 1.326 70.222 68.868 0.047 0.000 0.961 243 T HN 1.697 nan 8.240 nan 0.000 0.490 244 A N 1.732 124.604 122.820 0.087 0.000 2.498 244 A HA 0.823 5.143 4.320 -0.000 0.000 0.298 244 A C -0.311 177.398 177.584 0.207 0.000 1.075 244 A CA -0.912 51.211 52.037 0.142 0.000 0.714 244 A CB 1.998 20.974 19.000 -0.040 0.000 1.299 244 A HN 1.031 nan 8.150 nan 0.000 0.407 245 S N 0.057 115.946 115.700 0.315 0.000 2.538 245 S HA 0.635 5.105 4.470 -0.000 0.000 0.288 245 S C -1.908 172.922 174.600 0.383 0.000 1.108 245 S CA -0.322 58.048 58.200 0.284 0.000 0.971 245 S CB 1.165 64.457 63.200 0.154 0.000 1.041 245 S HN 1.146 nan 8.310 nan 0.000 0.483 246 Y N 5.588 126.000 120.300 0.186 0.000 2.328 246 Y HA 0.638 5.188 4.550 -0.000 0.000 0.336 246 Y C -0.633 175.331 175.900 0.106 0.000 0.960 246 Y CA -0.943 57.230 58.100 0.120 0.000 1.134 246 Y CB 1.163 39.730 38.460 0.179 0.000 1.166 246 Y HN 0.647 nan 8.280 nan 0.000 0.464 247 V N 3.406 123.084 119.914 -0.392 0.000 3.040 247 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 247 V C -1.145 174.568 176.094 -0.636 0.000 1.115 247 V CA -0.869 61.072 62.300 -0.599 0.000 0.998 247 V CB 1.951 33.565 31.823 -0.349 0.000 1.042 247 V HN 0.941 nan 8.190 nan 0.000 0.433 248 W N 2.347 123.377 121.300 -0.449 0.000 2.055 248 W HA 0.566 5.226 4.660 -0.000 0.000 0.293 248 W C -0.224 176.352 176.519 0.096 0.000 0.886 248 W CA 0.161 57.272 57.345 -0.391 0.000 1.384 248 W CB -0.511 28.715 29.460 -0.390 0.000 1.068 248 W HN 0.883 nan 8.180 nan 0.000 0.513 249 N N -0.689 118.011 118.700 -0.001 0.000 2.610 249 N HA 0.300 5.040 4.740 -0.000 0.000 0.264 249 N C 0.500 176.017 175.510 0.012 0.000 1.348 249 N CA -0.892 52.218 53.050 0.099 0.000 0.819 249 N CB 1.220 39.678 38.487 -0.049 0.000 1.521 249 N HN -0.054 nan 8.380 nan 0.000 0.497 250 R N -0.137 120.313 120.500 -0.082 0.000 2.080 250 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 250 R C 0.222 176.452 176.300 -0.117 0.000 1.137 250 R CA 1.999 58.005 56.100 -0.155 0.000 0.943 250 R CB -0.451 29.758 30.300 -0.153 0.000 0.846 250 R HN 0.671 nan 8.270 nan 0.000 0.431 251 D N 0.644 120.983 120.400 -0.102 0.000 2.116 251 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 251 D C 1.524 177.753 176.300 -0.118 0.000 0.998 251 D CA 1.517 55.460 54.000 -0.096 0.000 0.836 251 D CB -0.436 40.314 40.800 -0.083 0.000 0.951 251 D HN 0.310 nan 8.370 nan 0.000 0.449 252 D N 0.017 120.311 120.400 -0.177 0.000 2.144 252 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 252 D C 2.142 178.354 176.300 -0.146 0.000 0.978 252 D CA 0.163 54.031 54.000 -0.221 0.000 0.833 252 D CB -0.349 40.186 40.800 -0.442 0.000 0.961 252 D HN 0.126 nan 8.370 nan 0.000 0.470 253 L N 0.585 121.756 121.223 -0.087 0.000 2.017 253 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 253 L C 1.991 178.835 176.870 -0.043 0.000 1.073 253 L CA 1.533 56.360 54.840 -0.020 0.000 0.745 253 L CB -0.593 41.478 42.059 0.021 0.000 0.894 253 L HN 0.023 nan 8.230 nan 0.000 0.432 254 L N -0.464 120.721 121.223 -0.063 0.000 2.275 254 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 254 L C 2.361 179.203 176.870 -0.047 0.000 1.119 254 L CA 0.884 55.691 54.840 -0.055 0.000 0.790 254 L CB -0.791 41.231 42.059 -0.061 0.000 0.919 254 L HN 0.421 nan 8.230 nan 0.000 0.443 255 A N -0.644 122.143 122.820 -0.056 0.000 2.251 255 A HA 0.144 4.464 4.320 -0.000 0.000 0.209 255 A C 0.964 178.524 177.584 -0.040 0.000 1.187 255 A CA -0.145 51.863 52.037 -0.049 0.000 0.823 255 A CB -0.156 18.806 19.000 -0.062 0.000 0.846 255 A HN 0.082 nan 8.150 nan 0.000 0.486 256 V N 2.115 122.008 119.914 -0.036 0.000 2.540 256 V HA -0.037 4.083 4.120 -0.000 0.000 0.297 256 V C 0.349 176.435 176.094 -0.012 0.000 1.024 256 V CA -0.056 62.233 62.300 -0.019 0.000 1.105 256 V CB 0.587 32.407 31.823 -0.005 0.000 0.938 256 V HN 0.440 nan 8.190 nan 0.000 0.482 257 D N 5.177 125.574 120.400 -0.005 0.000 2.367 257 D HA 0.032 4.672 4.640 -0.000 0.000 0.255 257 D C 1.068 177.367 176.300 -0.002 0.000 1.300 257 D CA -0.244 53.754 54.000 -0.003 0.000 0.959 257 D CB 0.561 41.361 40.800 0.001 0.000 1.064 257 D HN 0.307 nan 8.370 nan 0.000 0.509 258 I N 3.993 124.558 120.570 -0.008 0.000 2.127 258 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 258 I C 2.841 178.949 176.117 -0.014 0.000 1.075 258 I CA 1.331 62.623 61.300 -0.013 0.000 1.334 258 I CB -1.549 36.440 38.000 -0.018 0.000 1.040 258 I HN 0.461 nan 8.210 nan 0.000 0.405 259 R N 1.073 121.567 120.500 -0.010 0.000 2.120 259 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 259 R C 1.650 177.946 176.300 -0.008 0.000 1.123 259 R CA 1.729 57.823 56.100 -0.009 0.000 0.975 259 R CB -1.404 28.893 30.300 -0.005 0.000 0.866 259 R HN 0.529 nan 8.270 nan 0.000 0.446 260 N N -0.293 118.405 118.700 -0.003 0.000 2.236 260 N HA 0.028 4.768 4.740 -0.000 0.000 0.196 260 N C -0.573 174.942 175.510 0.007 0.000 1.114 260 N CA 0.335 53.387 53.050 0.002 0.000 0.859 260 N CB 1.094 39.585 38.487 0.007 0.000 0.982 260 N HN 0.352 nan 8.380 nan 0.000 0.493 261 T N 1.039 115.596 114.554 0.004 0.000 2.756 261 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 261 T C 0.555 175.246 174.700 -0.014 0.000 0.985 261 T CA -0.546 61.565 62.100 0.018 0.000 0.955 261 T CB 1.815 70.702 68.868 0.032 0.000 0.930 261 T HN -0.013 nan 8.240 nan 0.000 0.451 262 D N 1.706 122.091 120.400 -0.025 0.000 2.183 262 D HA 0.015 4.655 4.640 -0.000 0.000 0.205 262 D C -0.138 175.952 176.300 -0.350 0.000 0.962 262 D CA 1.312 55.205 54.000 -0.178 0.000 0.849 262 D CB 0.312 41.013 40.800 -0.165 0.000 0.978 262 D HN 0.512 nan 8.370 nan 0.000 0.488 263 Y N -0.192 120.148 120.300 0.067 0.000 2.406 263 Y HA 0.449 4.999 4.550 -0.000 0.000 0.340 263 Y C -0.612 175.476 175.900 0.313 0.000 0.975 263 Y CA -1.083 57.114 58.100 0.162 0.000 1.056 263 Y CB 2.093 40.556 38.460 0.006 0.000 1.210 263 Y HN -0.255 nan 8.280 nan 0.000 0.448 264 L N 5.371 126.872 121.223 0.462 0.000 2.376 264 L HA 0.695 5.035 4.340 -0.000 0.000 0.275 264 L C -1.288 175.697 176.870 0.191 0.000 0.987 264 L CA -0.877 54.157 54.840 0.324 0.000 0.828 264 L CB 1.548 43.698 42.059 0.152 0.000 1.249 264 L HN 0.730 nan 8.230 nan 0.000 0.409 265 M N 4.863 124.456 119.600 -0.012 0.000 2.125 265 M HA 0.775 5.255 4.480 -0.000 0.000 0.321 265 M C -0.513 175.683 176.300 -0.175 0.000 0.983 265 M CA -0.067 55.017 55.300 -0.360 0.000 0.934 265 M CB 1.521 33.487 32.600 -1.057 0.000 1.542 265 M HN 0.644 nan 8.290 nan 0.000 0.424 266 G N 6.465 115.112 108.800 -0.256 0.000 2.588 266 G HA2 0.623 4.583 3.960 -0.000 0.000 0.312 266 G HA3 0.623 4.583 3.960 -0.000 0.000 0.312 266 G C -1.456 172.908 174.900 -0.893 0.000 1.257 266 G CA -0.545 44.209 45.100 -0.577 0.000 0.994 266 G HN 0.728 nan 8.290 nan 0.000 0.498 267 L N 2.958 123.677 121.223 -0.840 0.000 2.318 267 L HA 0.374 4.714 4.340 -0.000 0.000 0.277 267 L C -0.054 176.517 176.870 -0.499 0.000 1.008 267 L CA -0.742 53.792 54.840 -0.509 0.000 0.846 267 L CB 1.253 43.213 42.059 -0.164 0.000 1.220 267 L HN 0.528 nan 8.230 nan 0.000 0.423 268 F N 0.143 120.139 119.950 0.076 0.000 2.727 268 F HA 0.205 4.732 4.527 -0.000 0.000 0.302 268 F C 1.138 177.011 175.800 0.123 0.000 1.097 268 F CA -0.034 58.022 58.000 0.092 0.000 1.330 268 F CB 0.569 39.600 39.000 0.051 0.000 1.084 268 F HN 0.391 nan 8.300 nan 0.000 0.578 269 S N -2.016 113.821 115.700 0.227 0.000 2.550 269 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 269 S C 0.179 174.912 174.600 0.222 0.000 1.145 269 S CA -0.592 57.743 58.200 0.226 0.000 0.852 269 S CB 0.473 63.802 63.200 0.215 0.000 1.119 269 S HN 0.149 nan 8.310 nan 0.000 0.465 270 Y N 2.839 123.209 120.300 0.116 0.000 2.207 270 Y HA 0.058 4.608 4.550 -0.000 0.000 0.287 270 Y C 1.526 177.459 175.900 0.054 0.000 1.156 270 Y CA 2.623 60.792 58.100 0.116 0.000 1.182 270 Y CB -0.061 38.459 38.460 0.100 0.000 0.979 270 Y HN 0.724 nan 8.280 nan 0.000 0.521 271 T N -1.937 112.696 114.554 0.132 0.000 2.541 271 T HA 0.270 4.620 4.350 -0.000 0.000 0.222 271 T C -0.667 174.018 174.700 -0.026 0.000 0.819 271 T CA -0.656 61.407 62.100 -0.062 0.000 1.203 271 T CB -0.072 68.782 68.868 -0.022 0.000 1.640 271 T HN 0.043 nan 8.240 nan 0.000 0.507 272 H N 1.229 120.329 119.070 0.050 0.000 2.852 272 H HA 0.288 4.844 4.556 -0.000 0.000 0.362 272 H C 0.227 175.616 175.328 0.102 0.000 1.122 272 H CA 0.050 56.137 56.048 0.065 0.000 1.419 272 H CB 0.026 29.826 29.762 0.063 0.000 1.401 272 H HN 0.373 nan 8.280 nan 0.000 0.609 273 L N 1.966 123.339 121.223 0.251 0.000 2.467 273 L HA -0.010 4.330 4.340 -0.000 0.000 0.270 273 L C 0.732 177.696 176.870 0.156 0.000 1.205 273 L CA -0.259 54.695 54.840 0.190 0.000 0.828 273 L CB 0.227 42.386 42.059 0.166 0.000 1.101 273 L HN 0.471 nan 8.230 nan 0.000 0.479 274 D N 0.790 121.264 120.400 0.124 0.000 2.449 274 D HA 0.056 4.696 4.640 -0.000 0.000 0.236 274 D C 0.403 176.747 176.300 0.073 0.000 1.149 274 D CA 0.097 54.154 54.000 0.095 0.000 0.878 274 D CB 0.767 41.612 40.800 0.076 0.000 1.198 274 D HN 0.589 nan 8.370 nan 0.000 0.446 275 T N -1.837 112.755 114.554 0.062 0.000 2.856 275 T HA 0.080 4.430 4.350 -0.000 0.000 0.306 275 T C 1.724 176.442 174.700 0.029 0.000 1.062 275 T CA -0.939 61.185 62.100 0.041 0.000 1.083 275 T CB 0.659 69.547 68.868 0.033 0.000 0.984 275 T HN 0.098 nan 8.240 nan 0.000 0.542 276 V N 2.069 121.993 119.914 0.017 0.000 2.278 276 V HA -0.185 3.935 4.120 -0.000 0.000 0.251 276 V C 2.516 178.623 176.094 0.022 0.000 1.062 276 V CA 1.915 64.224 62.300 0.015 0.000 1.038 276 V CB -0.886 30.944 31.823 0.010 0.000 0.646 276 V HN 0.813 nan 8.190 nan 0.000 0.447 277 L N 0.144 121.383 121.223 0.026 0.000 2.554 277 L HA -0.019 4.321 4.340 -0.000 0.000 0.226 277 L C 2.124 179.014 176.870 0.033 0.000 1.137 277 L CA 1.421 56.281 54.840 0.034 0.000 0.863 277 L CB -0.502 41.582 42.059 0.042 0.000 0.985 277 L HN 0.619 nan 8.230 nan 0.000 0.451 278 T N -3.813 110.761 114.554 0.033 0.000 2.975 278 T HA 0.084 4.434 4.350 -0.000 0.000 0.257 278 T C 0.964 175.685 174.700 0.035 0.000 1.003 278 T CA -0.616 61.506 62.100 0.035 0.000 0.932 278 T CB 0.070 68.963 68.868 0.041 0.000 1.087 278 T HN 0.254 nan 8.240 nan 0.000 0.512 279 R N 1.525 122.045 120.500 0.032 0.000 2.694 279 R HA 0.279 4.619 4.340 -0.000 0.000 0.268 279 R C -0.754 175.559 176.300 0.022 0.000 1.061 279 R CA -0.471 55.648 56.100 0.031 0.000 1.133 279 R CB 0.087 30.401 30.300 0.024 0.000 1.020 279 R HN -0.012 nan 8.270 nan 0.000 0.475 280 D N 1.770 122.185 120.400 0.024 0.000 2.365 280 D HA 0.136 4.776 4.640 -0.000 0.000 0.237 280 D C 0.688 176.990 176.300 0.003 0.000 1.190 280 D CA -0.128 53.883 54.000 0.017 0.000 0.867 280 D CB 1.448 42.264 40.800 0.026 0.000 1.050 280 D HN 0.624 nan 8.370 nan 0.000 0.491 281 A N 4.303 127.120 122.820 -0.005 0.000 2.125 281 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 281 A C 1.807 179.375 177.584 -0.027 0.000 1.156 281 A CA 1.020 53.045 52.037 -0.020 0.000 0.671 281 A CB -0.200 18.789 19.000 -0.018 0.000 0.794 281 A HN 0.698 nan 8.150 nan 0.000 0.459 282 E N -0.905 119.286 120.200 -0.016 0.000 2.158 282 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 282 E C 1.654 178.241 176.600 -0.022 0.000 0.982 282 E CA 1.007 57.396 56.400 -0.019 0.000 0.823 282 E CB -0.127 29.569 29.700 -0.007 0.000 0.766 282 E HN 0.544 nan 8.360 nan 0.000 0.468 283 M N 0.420 120.016 119.600 -0.006 0.000 2.466 283 M HA 0.112 4.592 4.480 -0.000 0.000 0.265 283 M C -0.073 176.223 176.300 -0.007 0.000 1.122 283 M CA 0.708 56.016 55.300 0.013 0.000 1.157 283 M CB -0.199 32.432 32.600 0.052 0.000 1.352 283 M HN -0.195 nan 8.290 nan 0.000 0.464 284 D N 2.295 122.671 120.400 -0.040 0.000 2.256 284 D HA 0.385 5.024 4.640 -0.000 0.000 0.240 284 D C -2.262 173.920 176.300 -0.198 0.000 1.062 284 D CA -1.449 52.486 54.000 -0.108 0.000 0.832 284 D CB 1.618 42.397 40.800 -0.036 0.000 1.135 284 D HN 0.051 nan 8.370 nan 0.000 0.484 285 P HA 0.103 nan 4.420 nan 0.000 0.275 285 P C 0.020 177.177 177.300 -0.239 0.000 1.228 285 P CA -0.410 62.479 63.100 -0.352 0.000 0.786 285 P CB 0.693 32.035 31.700 -0.597 0.000 0.927 286 T N -0.358 114.110 114.554 -0.144 0.000 2.847 286 T HA 0.142 4.492 4.350 -0.000 0.000 0.279 286 T C 1.312 175.973 174.700 -0.064 0.000 0.984 286 T CA -0.654 61.397 62.100 -0.082 0.000 0.988 286 T CB 0.339 69.176 68.868 -0.052 0.000 1.040 286 T HN 0.137 nan 8.240 nan 0.000 0.528 287 L N 1.814 123.025 121.223 -0.019 0.000 2.012 287 L HA 0.111 4.450 4.340 -0.000 0.000 0.210 287 L C -0.819 176.071 176.870 0.033 0.000 1.073 287 L CA 1.919 56.770 54.840 0.019 0.000 0.748 287 L CB -1.420 40.672 42.059 0.055 0.000 0.891 287 L HN 0.584 nan 8.230 nan 0.000 0.431 288 P HA -0.159 nan 4.420 nan 0.000 0.217 288 P C 1.283 178.587 177.300 0.006 0.000 1.150 288 P CA 1.402 64.522 63.100 0.034 0.000 0.832 288 P CB 0.014 31.724 31.700 0.017 0.000 0.787 289 E N -0.892 119.290 120.200 -0.030 0.000 2.072 289 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 289 E C 2.042 178.611 176.600 -0.052 0.000 0.985 289 E CA 1.184 57.552 56.400 -0.053 0.000 0.801 289 E CB -0.488 29.156 29.700 -0.093 0.000 0.750 289 E HN 0.224 nan 8.360 nan 0.000 0.452 290 M N 0.188 119.754 119.600 -0.058 0.000 2.117 290 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 290 M C 2.371 178.666 176.300 -0.008 0.000 1.065 290 M CA 1.315 56.598 55.300 -0.028 0.000 1.114 290 M CB -0.381 32.214 32.600 -0.008 0.000 1.361 290 M HN 0.090 nan 8.290 nan 0.000 0.408 291 T N 0.483 115.042 114.554 0.008 0.000 2.708 291 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 291 T C 1.751 176.455 174.700 0.008 0.000 1.037 291 T CA 1.490 63.600 62.100 0.017 0.000 1.146 291 T CB -0.225 68.700 68.868 0.095 0.000 0.865 291 T HN 0.366 nan 8.240 nan 0.000 0.435 292 K N 0.740 121.147 120.400 0.013 0.000 2.020 292 K HA -0.133 4.186 4.320 -0.000 0.000 0.212 292 K C 2.195 178.782 176.600 -0.021 0.000 1.050 292 K CA 1.536 57.825 56.287 0.003 0.000 0.929 292 K CB -0.417 32.082 32.500 -0.002 0.000 0.714 292 K HN 0.151 nan 8.250 nan 0.000 0.443 293 V N 1.292 121.191 119.914 -0.025 0.000 2.407 293 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 293 V C 2.485 178.548 176.094 -0.051 0.000 1.055 293 V CA 1.917 64.199 62.300 -0.030 0.000 1.049 293 V CB -0.820 30.995 31.823 -0.014 0.000 0.662 293 V HN 0.528 nan 8.190 nan 0.000 0.455 294 A N 0.029 122.815 122.820 -0.058 0.000 1.883 294 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 294 A C 2.192 179.664 177.584 -0.187 0.000 1.186 294 A CA 2.079 54.052 52.037 -0.106 0.000 0.624 294 A CB -0.543 18.396 19.000 -0.102 0.000 0.822 294 A HN 0.512 nan 8.150 nan 0.000 0.444 295 I N -0.778 119.701 120.570 -0.152 0.000 2.353 295 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 295 I C 2.474 178.476 176.117 -0.192 0.000 1.119 295 I CA 1.218 62.392 61.300 -0.209 0.000 1.417 295 I CB -0.350 37.628 38.000 -0.037 0.000 1.078 295 I HN 0.429 nan 8.210 nan 0.000 0.421 296 E N 0.476 120.612 120.200 -0.107 0.000 2.058 296 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 296 E C 2.330 178.868 176.600 -0.104 0.000 0.997 296 E CA 1.408 57.762 56.400 -0.076 0.000 0.801 296 E CB -0.034 29.639 29.700 -0.045 0.000 0.746 296 E HN 0.358 nan 8.360 nan 0.000 0.450 297 M N 0.157 119.685 119.600 -0.121 0.000 2.067 297 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 297 M C 2.490 178.683 176.300 -0.179 0.000 1.069 297 M CA 1.440 56.667 55.300 -0.121 0.000 1.117 297 M CB -0.892 31.651 32.600 -0.095 0.000 1.334 297 M HN 0.155 nan 8.290 nan 0.000 0.407 298 L N 0.046 121.078 121.223 -0.319 0.000 2.201 298 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 298 L C 2.485 179.109 176.870 -0.409 0.000 1.105 298 L CA 1.428 55.992 54.840 -0.460 0.000 0.775 298 L CB -1.037 40.502 42.059 -0.867 0.000 0.913 298 L HN 0.453 nan 8.230 nan 0.000 0.440 299 T N -3.763 110.588 114.554 -0.338 0.000 3.113 299 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 299 T C 1.600 176.313 174.700 0.022 0.000 1.143 299 T CA 0.371 62.454 62.100 -0.027 0.000 1.090 299 T CB -0.210 68.686 68.868 0.047 0.000 0.922 299 T HN 0.285 nan 8.240 nan 0.000 0.521 300 K N 1.261 121.644 120.400 -0.028 0.000 2.360 300 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 300 K C 0.768 177.384 176.600 0.026 0.000 1.046 300 K CA 0.738 57.023 56.287 -0.002 0.000 0.945 300 K CB -0.149 32.336 32.500 -0.026 0.000 0.750 300 K HN 0.354 nan 8.250 nan 0.000 0.464 301 D N 2.029 122.459 120.400 0.051 0.000 2.359 301 D HA -0.021 4.619 4.640 -0.000 0.000 0.250 301 D C 0.395 176.761 176.300 0.110 0.000 1.264 301 D CA 0.261 54.312 54.000 0.085 0.000 0.911 301 D CB 0.668 41.541 40.800 0.122 0.000 1.056 301 D HN 0.099 nan 8.370 nan 0.000 0.499 302 E N 2.307 122.554 120.200 0.078 0.000 2.401 302 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 302 E C 0.730 177.378 176.600 0.080 0.000 1.023 302 E CA 0.583 57.027 56.400 0.075 0.000 0.859 302 E CB 0.150 29.881 29.700 0.051 0.000 0.780 302 E HN 0.554 nan 8.360 nan 0.000 0.523 303 N N -0.337 118.416 118.700 0.089 0.000 2.412 303 N HA 0.078 4.818 4.740 -0.000 0.000 0.184 303 N C 0.330 175.910 175.510 0.116 0.000 1.101 303 N CA 0.231 53.330 53.050 0.083 0.000 0.881 303 N CB 0.968 39.495 38.487 0.066 0.000 0.969 303 N HN 0.106 nan 8.380 nan 0.000 0.459 304 G N 0.537 109.448 108.800 0.184 0.000 2.462 304 G HA2 0.078 4.038 3.960 -0.000 0.000 0.685 304 G HA3 0.078 4.038 3.960 -0.000 0.000 0.685 304 G C -1.384 173.768 174.900 0.421 0.000 1.295 304 G CA -0.652 44.596 45.100 0.246 0.000 0.941 304 G HN 0.220 nan 8.290 nan 0.000 0.554 305 F N -2.408 117.733 119.950 0.318 0.000 2.719 305 F HA 0.825 5.352 4.527 -0.000 0.000 0.309 305 F C -1.390 174.420 175.800 0.017 0.000 1.138 305 F CA -1.896 56.243 58.000 0.232 0.000 0.943 305 F CB 1.369 40.411 39.000 0.070 0.000 1.304 305 F HN 1.029 nan 8.300 nan 0.000 0.445 306 F N 3.650 123.431 119.950 -0.282 0.000 2.482 306 F HA 0.835 5.361 4.527 -0.000 0.000 0.331 306 F C -1.982 173.710 175.800 -0.180 0.000 1.115 306 F CA -1.332 56.286 58.000 -0.636 0.000 0.955 306 F CB 1.806 40.066 39.000 -1.234 0.000 1.136 306 F HN 0.722 nan 8.300 nan 0.000 0.452 307 L N 7.544 128.124 121.223 -1.073 0.000 2.438 307 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 307 L C -2.132 174.057 176.870 -1.134 0.000 0.972 307 L CA -0.772 53.552 54.840 -0.860 0.000 0.831 307 L CB 1.706 43.571 42.059 -0.323 0.000 1.273 307 L HN 0.718 nan 8.230 nan 0.000 0.405 308 L N 6.156 126.867 121.223 -0.853 0.000 2.275 308 L HA 0.743 5.083 4.340 -0.000 0.000 0.288 308 L C -1.151 175.522 176.870 -0.328 0.000 1.046 308 L CA -0.091 54.469 54.840 -0.467 0.000 0.805 308 L CB 1.551 43.500 42.059 -0.184 0.000 1.193 308 L HN 0.442 nan 8.230 nan 0.000 0.426 309 V N 5.031 124.732 119.914 -0.355 0.000 2.444 309 V HA 0.468 4.588 4.120 -0.000 0.000 0.294 309 V C -0.375 175.676 176.094 -0.073 0.000 1.022 309 V CA -0.684 61.460 62.300 -0.259 0.000 0.850 309 V CB 1.440 32.969 31.823 -0.490 0.000 0.992 309 V HN 0.811 nan 8.190 nan 0.000 0.426 310 E N 3.317 123.525 120.200 0.014 0.000 2.158 310 E HA 0.585 4.935 4.350 -0.000 0.000 0.271 310 E C 0.221 176.861 176.600 0.067 0.000 0.911 310 E CA -0.654 55.781 56.400 0.059 0.000 0.767 310 E CB 1.766 31.508 29.700 0.069 0.000 1.120 310 E HN 0.834 nan 8.360 nan 0.000 0.405 311 G N 2.902 111.743 108.800 0.067 0.000 2.770 311 G HA2 0.296 4.256 3.960 -0.000 0.000 0.307 311 G HA3 0.296 4.256 3.960 -0.000 0.000 0.307 311 G C 0.555 175.447 174.900 -0.013 0.000 0.863 311 G CA -0.087 45.036 45.100 0.038 0.000 1.595 311 G HN 0.625 nan 8.290 nan 0.000 0.496 312 G N 1.391 110.172 108.800 -0.032 0.000 2.744 312 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.211 312 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.211 312 G C 1.502 176.244 174.900 -0.263 0.000 1.146 312 G CA -0.246 44.795 45.100 -0.098 0.000 0.787 312 G HN 0.543 nan 8.290 nan 0.000 0.534 313 R N -0.083 120.294 120.500 -0.205 0.000 2.317 313 R HA 0.297 4.637 4.340 -0.000 0.000 0.208 313 R C 1.957 178.165 176.300 -0.153 0.000 0.914 313 R CA -0.262 55.700 56.100 -0.231 0.000 1.060 313 R CB -0.070 30.210 30.300 -0.033 0.000 1.015 313 R HN 0.343 nan 8.270 nan 0.000 0.498 314 I N 1.434 121.914 120.570 -0.149 0.000 2.143 314 I HA -0.374 3.795 4.170 -0.000 0.000 0.245 314 I C 2.151 178.160 176.117 -0.181 0.000 1.068 314 I CA 1.824 63.010 61.300 -0.189 0.000 1.326 314 I CB -0.304 37.626 38.000 -0.116 0.000 1.028 314 I HN 0.128 nan 8.210 nan 0.000 0.412 315 D N -0.034 120.326 120.400 -0.067 0.000 2.097 315 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 315 D C 2.115 178.503 176.300 0.147 0.000 0.984 315 D CA 1.673 55.738 54.000 0.109 0.000 0.826 315 D CB -0.114 40.775 40.800 0.149 0.000 0.973 315 D HN 0.450 nan 8.370 nan 0.000 0.460 316 H N -1.199 117.955 119.070 0.140 0.000 2.387 316 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 316 H C 1.947 177.294 175.328 0.032 0.000 1.099 316 H CA 0.928 57.063 56.048 0.146 0.000 1.315 316 H CB 0.100 29.876 29.762 0.023 0.000 1.380 316 H HN 0.192 nan 8.280 nan 0.000 0.513 317 M N -0.159 119.469 119.600 0.046 0.000 2.132 317 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 317 M C 1.944 178.172 176.300 -0.120 0.000 1.065 317 M CA 1.400 56.663 55.300 -0.062 0.000 1.122 317 M CB -0.806 31.710 32.600 -0.141 0.000 1.365 317 M HN 0.385 nan 8.290 nan 0.000 0.411 318 H N -0.448 118.476 119.070 -0.243 0.000 2.353 318 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 318 H C 2.138 177.074 175.328 -0.653 0.000 1.090 318 H CA 1.307 57.050 56.048 -0.508 0.000 1.327 318 H CB -0.556 28.612 29.762 -0.989 0.000 1.383 318 H HN 0.416 nan 8.280 nan 0.000 0.508 319 H N 0.057 118.985 119.070 -0.236 0.000 2.390 319 H HA -0.041 4.515 4.556 -0.000 0.000 0.298 319 H C 1.812 177.029 175.328 -0.186 0.000 1.106 319 H CA 1.332 57.319 56.048 -0.102 0.000 1.297 319 H CB -0.139 29.663 29.762 0.067 0.000 1.375 319 H HN 0.355 nan 8.280 nan 0.000 0.509 320 A N -0.219 122.560 122.820 -0.070 0.000 2.307 320 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 320 A C 0.796 178.260 177.584 -0.200 0.000 1.228 320 A CA 0.316 52.277 52.037 -0.126 0.000 0.857 320 A CB -0.378 18.577 19.000 -0.074 0.000 0.897 320 A HN 0.626 nan 8.150 nan 0.000 0.495 321 N N -0.959 117.526 118.700 -0.359 0.000 2.741 321 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 321 N C -0.382 175.070 175.510 -0.098 0.000 1.112 321 N CA 0.591 53.328 53.050 -0.523 0.000 0.750 321 N CB -1.011 37.197 38.487 -0.466 0.000 1.119 321 N HN 0.717 nan 8.380 nan 0.000 0.561 322 Q N 0.569 120.329 119.800 -0.066 0.000 2.837 322 Q HA 0.167 4.507 4.340 -0.000 0.000 0.235 322 Q C 1.186 177.167 176.000 -0.030 0.000 1.348 322 Q CA -0.247 55.551 55.803 -0.009 0.000 0.990 322 Q CB 0.397 29.127 28.738 -0.013 0.000 1.570 322 Q HN 0.383 nan 8.270 nan 0.000 0.575 323 I N 1.140 121.671 120.570 -0.065 0.000 2.439 323 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 323 I C 2.148 178.122 176.117 -0.238 0.000 1.139 323 I CA 1.420 62.628 61.300 -0.152 0.000 1.438 323 I CB -0.071 37.732 38.000 -0.329 0.000 1.085 323 I HN 0.426 nan 8.210 nan 0.000 0.427 324 R N 0.053 120.437 120.500 -0.192 0.000 2.083 324 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 324 R C 2.261 178.471 176.300 -0.150 0.000 1.137 324 R CA 1.863 57.889 56.100 -0.125 0.000 0.951 324 R CB -0.268 30.057 30.300 0.043 0.000 0.851 324 R HN 0.499 nan 8.270 nan 0.000 0.434 325 Q N -0.513 119.231 119.800 -0.094 0.000 2.119 325 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 325 Q C 2.200 178.092 176.000 -0.179 0.000 0.972 325 Q CA 1.539 57.284 55.803 -0.097 0.000 0.847 325 Q CB -0.049 28.662 28.738 -0.044 0.000 0.903 325 Q HN 0.285 nan 8.270 nan 0.000 0.433 326 S N 0.650 116.200 115.700 -0.250 0.000 2.368 326 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 326 S C 1.916 176.306 174.600 -0.351 0.000 1.030 326 S CA 0.839 58.815 58.200 -0.374 0.000 0.999 326 S CB -0.098 62.678 63.200 -0.706 0.000 0.844 326 S HN 0.274 nan 8.310 nan 0.000 0.459 327 L N 0.751 121.724 121.223 -0.417 0.000 2.093 327 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 327 L C 2.859 179.408 176.870 -0.534 0.000 1.085 327 L CA 1.110 55.610 54.840 -0.566 0.000 0.755 327 L CB -0.672 40.803 42.059 -0.973 0.000 0.904 327 L HN 0.365 nan 8.230 nan 0.000 0.435 328 A N -0.277 122.291 122.820 -0.420 0.000 1.969 328 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 328 A C 2.168 179.702 177.584 -0.083 0.000 1.169 328 A CA 1.218 53.173 52.037 -0.138 0.000 0.635 328 A CB -0.256 18.727 19.000 -0.028 0.000 0.810 328 A HN 0.325 nan 8.150 nan 0.000 0.445 329 E N -0.193 119.938 120.200 -0.114 0.000 2.110 329 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 329 E C 2.066 178.635 176.600 -0.053 0.000 0.988 329 E CA 1.671 58.028 56.400 -0.073 0.000 0.804 329 E CB -0.902 28.742 29.700 -0.094 0.000 0.745 329 E HN 0.584 nan 8.360 nan 0.000 0.458 330 T N 1.988 116.492 114.554 -0.083 0.000 2.737 330 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 330 T C 2.071 176.770 174.700 -0.001 0.000 1.038 330 T CA 0.688 62.773 62.100 -0.024 0.000 1.144 330 T CB -0.191 68.647 68.868 -0.052 0.000 0.866 330 T HN 0.091 nan 8.240 nan 0.000 0.434 331 L N 0.800 122.003 121.223 -0.034 0.000 2.131 331 L HA -0.111 4.228 4.340 -0.000 0.000 0.210 331 L C 2.465 179.329 176.870 -0.010 0.000 1.092 331 L CA 1.227 56.053 54.840 -0.022 0.000 0.759 331 L CB -0.587 41.502 42.059 0.049 0.000 0.903 331 L HN 0.237 nan 8.230 nan 0.000 0.435 332 D N 0.006 120.408 120.400 0.004 0.000 2.149 332 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 332 D C 2.245 178.564 176.300 0.033 0.000 0.990 332 D CA 1.214 55.222 54.000 0.012 0.000 0.839 332 D CB 0.074 40.881 40.800 0.012 0.000 0.948 332 D HN 0.157 nan 8.370 nan 0.000 0.460 333 M N -0.169 119.464 119.600 0.056 0.000 2.254 333 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 333 M C 1.952 178.300 176.300 0.080 0.000 1.066 333 M CA 1.122 56.484 55.300 0.104 0.000 1.123 333 M CB 0.071 32.749 32.600 0.131 0.000 1.388 333 M HN -0.065 nan 8.290 nan 0.000 0.425 334 E N 0.835 121.078 120.200 0.071 0.000 2.077 334 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 334 E C 1.473 178.006 176.600 -0.112 0.000 0.989 334 E CA 1.670 58.037 56.400 -0.055 0.000 0.800 334 E CB -0.106 29.424 29.700 -0.284 0.000 0.746 334 E HN 0.646 nan 8.360 nan 0.000 0.452 335 E N -0.141 120.016 120.200 -0.072 0.000 2.204 335 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 335 E C 1.903 178.487 176.600 -0.027 0.000 0.989 335 E CA 0.795 57.160 56.400 -0.058 0.000 0.824 335 E CB -0.047 29.630 29.700 -0.039 0.000 0.756 335 E HN 0.297 nan 8.360 nan 0.000 0.477 336 A N 0.652 123.475 122.820 0.006 0.000 1.968 336 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 336 A C 2.397 179.998 177.584 0.027 0.000 1.169 336 A CA 0.771 52.865 52.037 0.094 0.000 0.638 336 A CB -0.328 18.825 19.000 0.255 0.000 0.812 336 A HN 0.109 nan 8.150 nan 0.000 0.446 337 V N -0.191 119.528 119.914 -0.326 0.000 2.358 337 V HA -0.200 3.919 4.120 -0.000 0.000 0.246 337 V C 2.753 178.782 176.094 -0.109 0.000 1.047 337 V CA 2.254 64.235 62.300 -0.531 0.000 1.035 337 V CB -0.787 30.687 31.823 -0.581 0.000 0.658 337 V HN 0.541 nan 8.190 nan 0.000 0.452 338 S N -0.269 115.381 115.700 -0.083 0.000 2.368 338 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 338 S C 1.946 176.559 174.600 0.020 0.000 1.030 338 S CA 2.144 60.327 58.200 -0.028 0.000 0.999 338 S CB -0.426 62.739 63.200 -0.058 0.000 0.844 338 S HN 0.520 nan 8.310 nan 0.000 0.459 339 M N 2.535 122.153 119.600 0.031 0.000 2.073 339 M HA -0.094 4.386 4.480 -0.000 0.000 0.258 339 M C 2.015 178.372 176.300 0.095 0.000 1.070 339 M CA 1.882 57.216 55.300 0.057 0.000 1.103 339 M CB -1.011 31.627 32.600 0.062 0.000 1.321 339 M HN 0.239 nan 8.290 nan 0.000 0.405 340 A N -0.240 122.676 122.820 0.160 0.000 1.902 340 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 340 A C 2.234 179.912 177.584 0.157 0.000 1.181 340 A CA 1.895 54.056 52.037 0.207 0.000 0.623 340 A CB -1.181 18.051 19.000 0.388 0.000 0.818 340 A HN 0.602 nan 8.150 nan 0.000 0.443 341 L N 0.420 121.727 121.223 0.139 0.000 2.083 341 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 341 L C 2.798 179.716 176.870 0.081 0.000 1.083 341 L CA 1.589 56.500 54.840 0.118 0.000 0.752 341 L CB -0.356 41.784 42.059 0.134 0.000 0.899 341 L HN 0.598 nan 8.230 nan 0.000 0.433 342 S N -1.437 114.303 115.700 0.067 0.000 2.603 342 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 342 S C 1.478 176.106 174.600 0.046 0.000 0.972 342 S CA 0.526 58.754 58.200 0.046 0.000 0.935 342 S CB -0.062 63.157 63.200 0.032 0.000 0.769 342 S HN 0.443 nan 8.310 nan 0.000 0.536 343 M N 1.105 120.743 119.600 0.063 0.000 2.260 343 M HA 0.192 4.672 4.480 -0.000 0.000 0.326 343 M C 0.074 176.419 176.300 0.074 0.000 0.930 343 M CA 0.073 55.410 55.300 0.062 0.000 1.051 343 M CB 1.502 34.142 32.600 0.067 0.000 1.748 343 M HN 0.453 nan 8.290 nan 0.000 0.606 344 T N -3.395 111.207 114.554 0.080 0.000 2.887 344 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 344 T C -1.175 173.557 174.700 0.054 0.000 1.087 344 T CA -0.868 61.282 62.100 0.083 0.000 1.009 344 T CB 2.430 71.362 68.868 0.107 0.000 1.203 344 T HN -0.124 nan 8.240 nan 0.000 0.518 345 D N 1.627 122.053 120.400 0.044 0.000 2.373 345 D HA 0.361 5.001 4.640 -0.000 0.000 0.227 345 D C -1.517 174.786 176.300 0.006 0.000 1.091 345 D CA -2.551 51.464 54.000 0.024 0.000 0.840 345 D CB 1.716 42.532 40.800 0.027 0.000 1.060 345 D HN 0.162 nan 8.370 nan 0.000 0.502 346 P HA -0.084 nan 4.420 nan 0.000 0.225 346 P C 0.689 177.962 177.300 -0.046 0.000 1.148 346 P CA 0.652 63.729 63.100 -0.039 0.000 0.779 346 P CB 0.525 32.193 31.700 -0.052 0.000 0.780 347 E N 0.255 120.436 120.200 -0.031 0.000 2.427 347 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 347 E C 1.568 178.153 176.600 -0.025 0.000 1.028 347 E CA 0.830 57.208 56.400 -0.037 0.000 0.864 347 E CB -0.067 29.618 29.700 -0.024 0.000 0.813 347 E HN 0.653 nan 8.360 nan 0.000 0.514 348 E N -0.656 119.537 120.200 -0.011 0.000 2.571 348 E HA 0.097 4.447 4.350 -0.000 0.000 0.222 348 E C -0.072 176.528 176.600 0.000 0.000 0.904 348 E CA -0.005 56.397 56.400 0.004 0.000 1.157 348 E CB 0.479 30.189 29.700 0.018 0.000 1.158 348 E HN -0.203 nan 8.360 nan 0.000 0.540 349 T N 2.189 116.736 114.554 -0.012 0.000 2.791 349 T HA 0.447 4.797 4.350 -0.000 0.000 0.288 349 T C -0.160 174.527 174.700 -0.023 0.000 0.999 349 T CA -0.505 61.580 62.100 -0.025 0.000 0.952 349 T CB 1.247 70.104 68.868 -0.018 0.000 0.938 349 T HN 0.101 nan 8.240 nan 0.000 0.444 350 I N 4.082 124.652 120.570 0.000 0.000 2.416 350 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 350 I C -0.030 176.087 176.117 0.001 0.000 1.051 350 I CA -0.270 61.030 61.300 -0.001 0.000 1.375 350 I CB 0.637 38.675 38.000 0.064 0.000 1.407 350 I HN 0.457 nan 8.210 nan 0.000 0.516 351 I N 7.620 128.175 120.570 -0.025 0.000 2.362 351 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 351 I C -0.598 175.560 176.117 0.068 0.000 0.994 351 I CA -0.517 60.838 61.300 0.092 0.000 1.158 351 I CB 1.749 39.859 38.000 0.183 0.000 1.315 351 I HN 0.425 nan 8.210 nan 0.000 0.451 352 L N 7.786 129.023 121.223 0.025 0.000 2.362 352 L HA 0.715 5.055 4.340 -0.000 0.000 0.275 352 L C -1.276 175.499 176.870 -0.157 0.000 0.998 352 L CA -0.513 54.219 54.840 -0.180 0.000 0.820 352 L CB 1.850 43.596 42.059 -0.522 0.000 1.270 352 L HN 0.296 nan 8.230 nan 0.000 0.415 353 V N 3.859 123.687 119.914 -0.143 0.000 2.555 353 V HA 0.764 4.884 4.120 -0.000 0.000 0.302 353 V C -0.073 175.905 176.094 -0.193 0.000 1.038 353 V CA -0.289 61.850 62.300 -0.269 0.000 0.887 353 V CB 1.755 33.136 31.823 -0.737 0.000 0.991 353 V HN 0.896 nan 8.190 nan 0.000 0.434 354 T N 2.199 116.624 114.554 -0.215 0.000 2.731 354 T HA 0.802 5.151 4.350 -0.000 0.000 0.300 354 T C -1.270 173.358 174.700 -0.120 0.000 1.283 354 T CA 0.274 62.299 62.100 -0.125 0.000 1.005 354 T CB 1.898 70.636 68.868 -0.216 0.000 1.420 354 T HN 1.095 nan 8.240 nan 0.000 0.503 355 A N 0.631 123.383 122.820 -0.114 0.000 2.354 355 A HA 0.671 4.991 4.320 -0.000 0.000 0.321 355 A C 0.632 178.070 177.584 -0.242 0.000 1.125 355 A CA -0.213 51.728 52.037 -0.160 0.000 0.799 355 A CB 1.072 20.013 19.000 -0.098 0.000 1.293 355 A HN 0.888 nan 8.150 nan 0.000 0.452 356 D N -0.362 119.858 120.400 -0.300 0.000 2.183 356 D HA 0.107 4.747 4.640 -0.000 0.000 0.205 356 D C 0.446 176.724 176.300 -0.037 0.000 0.962 356 D CA 1.897 55.816 54.000 -0.135 0.000 0.849 356 D CB -0.314 40.533 40.800 0.078 0.000 0.978 356 D HN 0.804 nan 8.370 nan 0.000 0.488 357 H N -3.702 115.328 119.070 -0.067 0.000 2.987 357 H HA 0.643 5.199 4.556 -0.000 0.000 0.316 357 H C 0.046 175.294 175.328 -0.134 0.000 1.380 357 H CA -0.946 55.050 56.048 -0.087 0.000 1.160 357 H CB 0.953 30.636 29.762 -0.131 0.000 1.865 357 H HN 0.053 nan 8.280 nan 0.000 0.521 358 G N -0.781 108.057 108.800 0.064 0.000 2.531 358 G HA2 0.414 4.374 3.960 -0.000 0.000 0.281 358 G HA3 0.414 4.374 3.960 -0.000 0.000 0.281 358 G C -0.924 173.954 174.900 -0.036 0.000 1.382 358 G CA -0.406 44.706 45.100 0.020 0.000 1.045 358 G HN 0.685 nan 8.290 nan 0.000 0.533 359 H N -1.785 117.293 119.070 0.012 0.000 2.946 359 H HA 0.310 4.866 4.556 -0.000 0.000 0.365 359 H C 0.186 175.486 175.328 -0.046 0.000 1.197 359 H CA 0.163 56.184 56.048 -0.045 0.000 1.131 359 H CB 1.990 31.577 29.762 -0.291 0.000 1.849 359 H HN 0.540 nan 8.280 nan 0.000 0.555 360 T N 0.527 115.216 114.554 0.224 0.000 3.500 360 T HA 0.124 4.474 4.350 -0.000 0.000 0.244 360 T C 0.582 175.328 174.700 0.077 0.000 0.962 360 T CA -0.461 61.736 62.100 0.160 0.000 0.932 360 T CB -1.166 67.822 68.868 0.201 0.000 1.096 360 T HN 0.106 nan 8.240 nan 0.000 0.617 361 L N 3.312 124.463 121.223 -0.119 0.000 2.367 361 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 361 L C 0.323 177.065 176.870 -0.214 0.000 1.129 361 L CA 0.417 55.010 54.840 -0.411 0.000 0.839 361 L CB 0.800 42.576 42.059 -0.472 0.000 1.133 361 L HN 0.542 nan 8.230 nan 0.000 0.453 362 T N 2.927 117.358 114.554 -0.206 0.000 2.916 362 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 362 T C -0.289 174.364 174.700 -0.078 0.000 1.055 362 T CA -0.719 61.326 62.100 -0.092 0.000 1.009 362 T CB 1.145 69.990 68.868 -0.038 0.000 1.118 362 T HN 0.454 nan 8.240 nan 0.000 0.497 363 I N 3.334 123.879 120.570 -0.041 0.000 2.428 363 I HA 0.275 4.445 4.170 -0.000 0.000 0.279 363 I C 0.897 177.000 176.117 -0.023 0.000 1.040 363 I CA -0.772 60.513 61.300 -0.025 0.000 1.171 363 I CB 1.258 39.247 38.000 -0.018 0.000 1.312 363 I HN 0.932 nan 8.210 nan 0.000 0.470 364 T N 1.950 116.504 114.554 -0.001 0.000 2.849 364 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 364 T C 0.509 175.148 174.700 -0.102 0.000 1.004 364 T CA -0.557 61.529 62.100 -0.023 0.000 1.021 364 T CB 1.870 70.796 68.868 0.097 0.000 1.013 364 T HN 0.511 nan 8.240 nan 0.000 0.527 365 G N -0.538 108.055 108.800 -0.345 0.000 2.511 365 G HA2 0.541 4.501 3.960 -0.000 0.000 0.316 365 G HA3 0.541 4.501 3.960 -0.000 0.000 0.316 365 G C -1.541 173.206 174.900 -0.254 0.000 1.210 365 G CA -0.900 43.814 45.100 -0.643 0.000 0.969 365 G HN 0.736 nan 8.290 nan 0.000 0.492 366 Y N 0.223 120.600 120.300 0.129 0.000 2.584 366 Y HA 0.535 5.085 4.550 -0.000 0.000 0.358 366 Y C 0.755 176.676 175.900 0.035 0.000 1.028 366 Y CA -0.828 57.315 58.100 0.071 0.000 1.148 366 Y CB 0.802 39.300 38.460 0.063 0.000 1.126 366 Y HN 0.712 nan 8.280 nan 0.000 0.658 367 A N 0.679 123.558 122.820 0.098 0.000 2.371 367 A HA 0.329 4.649 4.320 -0.000 0.000 0.257 367 A C 0.064 177.681 177.584 0.056 0.000 1.089 367 A CA -0.519 51.553 52.037 0.057 0.000 0.794 367 A CB 0.305 19.319 19.000 0.023 0.000 1.029 367 A HN 0.484 nan 8.150 nan 0.000 0.488 368 D N 1.302 121.717 120.400 0.024 0.000 2.419 368 D HA 0.070 4.710 4.640 -0.000 0.000 0.236 368 D C 0.595 176.877 176.300 -0.030 0.000 1.165 368 D CA 0.386 54.384 54.000 -0.003 0.000 0.882 368 D CB 0.383 41.165 40.800 -0.030 0.000 1.201 368 D HN 0.332 nan 8.370 nan 0.000 0.443 369 R N 2.033 122.511 120.500 -0.036 0.000 2.638 369 R HA -0.078 4.262 4.340 -0.000 0.000 0.268 369 R C 0.599 176.784 176.300 -0.193 0.000 1.006 369 R CA 0.347 56.409 56.100 -0.064 0.000 1.088 369 R CB -0.158 30.119 30.300 -0.038 0.000 0.950 369 R HN 0.515 nan 8.270 nan 0.000 0.419 370 N N -0.852 117.667 118.700 -0.302 0.000 2.965 370 N HA -0.151 4.589 4.740 -0.000 0.000 0.232 370 N C -0.684 174.548 175.510 -0.464 0.000 0.913 370 N CA 1.487 54.056 53.050 -0.801 0.000 0.981 370 N CB -1.188 36.641 38.487 -1.097 0.000 1.077 370 N HN 0.538 nan 8.380 nan 0.000 0.589 371 T N 1.582 116.031 114.554 -0.176 0.000 2.907 371 T HA 0.052 4.402 4.350 -0.000 0.000 0.298 371 T C 0.279 174.990 174.700 0.018 0.000 1.017 371 T CA -0.275 61.785 62.100 -0.067 0.000 1.118 371 T CB 1.383 70.236 68.868 -0.024 0.000 0.948 371 T HN 0.052 nan 8.240 nan 0.000 0.531 372 D N 1.791 122.223 120.400 0.052 0.000 2.450 372 D HA -0.053 4.587 4.640 -0.000 0.000 0.247 372 D C 1.085 177.438 176.300 0.089 0.000 1.162 372 D CA -0.379 53.678 54.000 0.095 0.000 0.879 372 D CB 0.471 41.316 40.800 0.075 0.000 1.163 372 D HN 0.386 nan 8.370 nan 0.000 0.472 373 I N 4.253 124.892 120.570 0.115 0.000 2.530 373 I HA -0.221 3.949 4.170 -0.000 0.000 0.257 373 I C 1.687 177.856 176.117 0.087 0.000 1.179 373 I CA 1.238 62.596 61.300 0.096 0.000 1.440 373 I CB 0.115 38.179 38.000 0.107 0.000 1.087 373 I HN 0.540 nan 8.210 nan 0.000 0.440 374 L N -0.286 121.003 121.223 0.111 0.000 2.611 374 L HA 0.112 4.451 4.340 -0.000 0.000 0.229 374 L C 0.707 177.653 176.870 0.127 0.000 1.137 374 L CA -0.205 54.719 54.840 0.141 0.000 0.901 374 L CB -0.581 41.576 42.059 0.164 0.000 1.098 374 L HN 0.152 nan 8.230 nan 0.000 0.456 375 D N -0.509 119.913 120.400 0.037 0.000 2.451 375 D HA 0.158 4.798 4.640 -0.000 0.000 0.259 375 D C 0.031 176.263 176.300 -0.113 0.000 1.201 375 D CA -0.319 53.632 54.000 -0.083 0.000 1.028 375 D CB 0.770 41.568 40.800 -0.004 0.000 1.095 375 D HN -0.251 nan 8.370 nan 0.000 0.539 376 F N -0.246 119.691 119.950 -0.022 0.000 2.490 376 F HA 0.299 4.826 4.527 -0.000 0.000 0.336 376 F C 1.411 177.106 175.800 -0.175 0.000 1.178 376 F CA -0.139 57.794 58.000 -0.111 0.000 1.301 376 F CB 0.606 39.524 39.000 -0.137 0.000 1.175 376 F HN 0.361 nan 8.300 nan 0.000 0.593 377 A N 0.845 123.563 122.820 -0.170 0.000 2.035 377 A HA 0.635 4.955 4.320 -0.000 0.000 0.208 377 A C 0.969 178.366 177.584 -0.311 0.000 1.206 377 A CA 0.864 52.744 52.037 -0.262 0.000 0.773 377 A CB -0.328 18.478 19.000 -0.325 0.000 0.878 377 A HN 1.009 nan 8.150 nan 0.000 0.469 378 G N -1.364 107.109 108.800 -0.545 0.000 2.399 378 G HA2 0.403 4.363 3.960 -0.000 0.000 0.256 378 G HA3 0.403 4.363 3.960 -0.000 0.000 0.256 378 G C -1.653 173.126 174.900 -0.201 0.000 1.236 378 G CA -0.439 44.511 45.100 -0.251 0.000 0.914 378 G HN 0.238 nan 8.290 nan 0.000 0.482 379 I N 1.047 121.678 120.570 0.101 0.000 2.509 379 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 379 I C 0.474 176.770 176.117 0.299 0.000 1.020 379 I CA -0.807 60.595 61.300 0.170 0.000 1.088 379 I CB 2.128 40.146 38.000 0.030 0.000 1.267 379 I HN 0.488 nan 8.210 nan 0.000 0.430 380 S N 2.956 118.810 115.700 0.256 0.000 2.533 380 S HA 0.013 4.483 4.470 -0.000 0.000 0.282 380 S C 0.782 175.410 174.600 0.046 0.000 1.304 380 S CA -0.472 57.779 58.200 0.086 0.000 1.063 380 S CB 0.421 63.626 63.200 0.008 0.000 0.881 380 S HN 0.689 nan 8.310 nan 0.000 0.493 381 D N 4.462 124.878 120.400 0.026 0.000 2.349 381 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 381 D C 1.273 177.575 176.300 0.004 0.000 1.029 381 D CA 0.457 54.469 54.000 0.020 0.000 0.879 381 D CB -0.112 40.704 40.800 0.026 0.000 0.906 381 D HN 0.539 nan 8.370 nan 0.000 0.528 382 L N 0.040 121.259 121.223 -0.006 0.000 2.286 382 L HA 0.106 4.445 4.340 -0.000 0.000 0.203 382 L C 1.064 177.930 176.870 -0.006 0.000 1.068 382 L CA 1.040 55.875 54.840 -0.008 0.000 0.811 382 L CB 0.098 42.148 42.059 -0.015 0.000 0.989 382 L HN 0.032 nan 8.230 nan 0.000 0.467 383 D N -3.353 117.043 120.400 -0.007 0.000 2.503 383 D HA -0.000 4.640 4.640 -0.000 0.000 0.218 383 D C 0.355 176.648 176.300 -0.011 0.000 1.183 383 D CA -0.133 53.862 54.000 -0.009 0.000 0.827 383 D CB 0.146 40.938 40.800 -0.012 0.000 1.034 383 D HN -0.023 nan 8.370 nan 0.000 0.510 384 D N -0.014 120.385 120.400 -0.003 0.000 2.983 384 D HA -0.201 4.439 4.640 -0.000 0.000 0.225 384 D C -0.657 175.631 176.300 -0.020 0.000 1.174 384 D CA 0.706 54.701 54.000 -0.007 0.000 0.831 384 D CB -0.624 40.165 40.800 -0.018 0.000 1.104 384 D HN 0.428 nan 8.370 nan 0.000 0.421 385 R N 0.028 120.524 120.500 -0.007 0.000 2.589 385 R HA 0.552 4.892 4.340 -0.000 0.000 0.293 385 R C 0.494 176.809 176.300 0.025 0.000 0.963 385 R CA -0.864 55.221 56.100 -0.027 0.000 0.905 385 R CB 1.224 31.500 30.300 -0.040 0.000 1.144 385 R HN 0.002 nan 8.270 nan 0.000 0.459 386 R N 1.471 121.936 120.500 -0.058 0.000 2.811 386 R HA -0.010 4.330 4.340 -0.000 0.000 0.265 386 R C -0.666 175.743 176.300 0.181 0.000 1.026 386 R CA 0.718 56.778 56.100 -0.068 0.000 1.142 386 R CB 0.239 30.296 30.300 -0.405 0.000 1.027 386 R HN 0.547 nan 8.270 nan 0.000 0.465 387 Y N -2.751 117.616 120.300 0.112 0.000 2.562 387 Y HA 0.445 4.995 4.550 -0.000 0.000 0.345 387 Y C -0.631 175.422 175.900 0.255 0.000 1.045 387 Y CA -1.411 56.791 58.100 0.171 0.000 1.028 387 Y CB 0.884 39.407 38.460 0.105 0.000 1.297 387 Y HN 0.605 nan 8.280 nan 0.000 0.463 388 T N -0.057 114.651 114.554 0.255 0.000 2.922 388 T HA 0.399 4.749 4.350 -0.000 0.000 0.285 388 T C 1.136 175.934 174.700 0.164 0.000 1.005 388 T CA -0.687 61.505 62.100 0.154 0.000 1.061 388 T CB 1.247 70.242 68.868 0.212 0.000 1.007 388 T HN 0.807 nan 8.240 nan 0.000 0.502 389 I N 0.244 120.870 120.570 0.094 0.000 2.151 389 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 389 I C 0.911 177.096 176.117 0.113 0.000 1.080 389 I CA 1.384 62.734 61.300 0.084 0.000 1.339 389 I CB -0.301 37.730 38.000 0.051 0.000 1.039 389 I HN 0.444 nan 8.210 nan 0.000 0.409 390 L N 1.357 122.664 121.223 0.139 0.000 2.325 390 L HA 0.319 4.659 4.340 -0.000 0.000 0.279 390 L C -0.874 176.075 176.870 0.132 0.000 1.054 390 L CA -0.497 54.369 54.840 0.045 0.000 0.804 390 L CB 1.219 43.215 42.059 -0.105 0.000 1.200 390 L HN 0.248 nan 8.230 nan 0.000 0.436 391 D N 0.415 120.803 120.400 -0.019 0.000 2.713 391 D HA 0.394 5.034 4.640 -0.000 0.000 0.306 391 D C -1.460 174.754 176.300 -0.143 0.000 1.299 391 D CA -0.576 53.461 54.000 0.061 0.000 0.823 391 D CB 0.904 41.829 40.800 0.208 0.000 1.353 391 D HN 0.195 nan 8.370 nan 0.000 0.447 392 Y N -1.547 118.809 120.300 0.095 0.000 2.536 392 Y HA 0.582 5.132 4.550 -0.000 0.000 0.347 392 Y C 1.471 177.415 175.900 0.074 0.000 1.000 392 Y CA -0.593 57.543 58.100 0.060 0.000 1.051 392 Y CB 2.690 41.179 38.460 0.049 0.000 1.259 392 Y HN 0.588 nan 8.280 nan 0.000 0.468 393 G N -0.070 108.873 108.800 0.240 0.000 2.511 393 G HA2 0.067 4.027 3.960 -0.000 0.000 0.217 393 G HA3 0.067 4.027 3.960 -0.000 0.000 0.217 393 G C 0.237 175.226 174.900 0.148 0.000 1.133 393 G CA 0.792 45.989 45.100 0.161 0.000 0.792 393 G HN 0.394 nan 8.290 nan 0.000 0.539 394 S N -1.733 114.069 115.700 0.170 0.000 2.564 394 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 394 S C -0.339 174.279 174.600 0.031 0.000 1.124 394 S CA 0.545 58.802 58.200 0.096 0.000 0.869 394 S CB 1.515 64.770 63.200 0.091 0.000 1.105 394 S HN 1.517 nan 8.310 nan 0.000 0.472 395 G N 2.832 111.635 108.800 0.005 0.000 2.353 395 G HA2 0.143 4.103 3.960 -0.000 0.000 0.424 395 G HA3 0.143 4.103 3.960 -0.000 0.000 0.424 395 G C -3.010 171.879 174.900 -0.018 0.000 1.320 395 G CA -0.161 44.905 45.100 -0.057 0.000 0.995 395 G HN 0.489 nan 8.290 nan 0.000 0.580 396 P HA 0.095 nan 4.420 nan 0.000 0.241 396 P C 1.781 179.072 177.300 -0.015 0.000 1.191 396 P CA 1.374 64.462 63.100 -0.019 0.000 0.771 396 P CB -0.014 31.646 31.700 -0.065 0.000 0.929 397 G N -0.697 108.087 108.800 -0.026 0.000 2.470 397 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.220 397 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.220 397 G C 0.321 175.288 174.900 0.113 0.000 1.121 397 G CA -0.028 45.067 45.100 -0.009 0.000 0.766 397 G HN 0.280 nan 8.290 nan 0.000 0.553 398 Y N 1.192 121.525 120.300 0.056 0.000 2.620 398 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 398 Y C -0.026 175.972 175.900 0.162 0.000 1.186 398 Y CA -0.117 58.050 58.100 0.113 0.000 1.467 398 Y CB 0.081 38.593 38.460 0.087 0.000 1.262 398 Y HN 0.242 nan 8.280 nan 0.000 0.550 399 H N 7.120 126.020 119.070 -0.283 0.000 3.224 399 H HA 0.364 4.920 4.556 -0.000 0.000 0.331 399 H C -1.493 173.731 175.328 -0.173 0.000 1.002 399 H CA -0.856 55.109 56.048 -0.139 0.000 1.473 399 H CB 0.744 30.442 29.762 -0.106 0.000 1.830 399 H HN 0.704 nan 8.280 nan 0.000 0.485 400 I N 5.502 126.064 120.570 -0.013 0.000 2.297 400 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 400 I C 1.080 177.139 176.117 -0.096 0.000 1.033 400 I CA -0.394 60.858 61.300 -0.080 0.000 1.253 400 I CB 1.398 39.426 38.000 0.047 0.000 1.396 400 I HN 0.625 nan 8.210 nan 0.000 0.476 401 T N 1.366 115.802 114.554 -0.196 0.000 2.724 401 T HA 0.011 4.361 4.350 -0.000 0.000 0.324 401 T C 1.088 175.785 174.700 -0.004 0.000 1.071 401 T CA -0.186 61.836 62.100 -0.129 0.000 1.061 401 T CB 0.705 69.532 68.868 -0.069 0.000 0.990 401 T HN 0.633 nan 8.240 nan 0.000 0.543 402 E N 0.926 121.146 120.200 0.034 0.000 2.130 402 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 402 E C 1.433 178.051 176.600 0.030 0.000 0.998 402 E CA 1.571 57.998 56.400 0.046 0.000 0.806 402 E CB -0.143 29.588 29.700 0.052 0.000 0.738 402 E HN 0.861 nan 8.360 nan 0.000 0.459 403 D N -0.993 119.417 120.400 0.017 0.000 2.328 403 D HA 0.064 4.704 4.640 -0.000 0.000 0.226 403 D C 0.930 177.235 176.300 0.008 0.000 1.066 403 D CA 0.581 54.588 54.000 0.012 0.000 0.861 403 D CB 0.209 41.013 40.800 0.006 0.000 0.912 403 D HN 0.204 nan 8.370 nan 0.000 0.521 404 G N 0.269 109.074 108.800 0.008 0.000 2.171 404 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.238 404 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.238 404 G C 0.048 174.946 174.900 -0.004 0.000 1.039 404 G CA -0.072 45.034 45.100 0.010 0.000 0.759 404 G HN 0.297 nan 8.290 nan 0.000 0.501 405 K N -0.712 119.674 120.400 -0.023 0.000 2.303 405 K HA 0.613 4.933 4.320 -0.000 0.000 0.233 405 K C 0.465 177.029 176.600 -0.061 0.000 1.046 405 K CA -1.241 55.025 56.287 -0.035 0.000 0.895 405 K CB 0.874 33.350 32.500 -0.040 0.000 1.220 405 K HN 0.305 nan 8.250 nan 0.000 0.470 406 R N 1.104 121.567 120.500 -0.061 0.000 2.265 406 R HA 0.103 4.443 4.340 -0.000 0.000 0.314 406 R C -0.714 175.553 176.300 -0.055 0.000 1.053 406 R CA -0.366 55.690 56.100 -0.073 0.000 0.931 406 R CB 0.104 30.375 30.300 -0.048 0.000 1.024 406 R HN 0.526 nan 8.270 nan 0.000 0.457 407 Y N 3.062 123.246 120.300 -0.192 0.000 2.810 407 Y HA -0.120 4.430 4.550 -0.000 0.000 0.332 407 Y C -0.223 175.665 175.900 -0.020 0.000 1.243 407 Y CA 0.728 58.730 58.100 -0.163 0.000 1.537 407 Y CB 0.489 38.846 38.460 -0.172 0.000 1.265 407 Y HN 0.620 nan 8.280 nan 0.000 0.572 408 E N 8.903 128.633 120.200 -0.783 0.000 2.081 408 E HA 0.308 4.658 4.350 -0.000 0.000 0.276 408 E C -2.530 173.644 176.600 -0.709 0.000 0.950 408 E CA -2.582 53.499 56.400 -0.532 0.000 0.776 408 E CB 0.638 30.135 29.700 -0.338 0.000 1.094 408 E HN 0.404 nan 8.360 nan 0.000 0.402 409 P HA -0.007 nan 4.420 nan 0.000 0.268 409 P C -0.483 176.846 177.300 0.047 0.000 1.205 409 P CA -0.089 63.020 63.100 0.014 0.000 0.771 409 P CB 0.871 32.700 31.700 0.216 0.000 0.858 410 T N -2.200 112.321 114.554 -0.055 0.000 2.937 410 T HA 0.252 4.601 4.350 -0.000 0.000 0.283 410 T C 1.103 175.863 174.700 0.100 0.000 1.012 410 T CA -0.680 61.454 62.100 0.057 0.000 0.997 410 T CB 1.292 70.136 68.868 -0.040 0.000 1.136 410 T HN 0.430 nan 8.240 nan 0.000 0.551 411 E N -0.107 120.200 120.200 0.179 0.000 2.204 411 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 411 E C 1.793 178.368 176.600 -0.042 0.000 0.990 411 E CA 1.275 57.732 56.400 0.094 0.000 0.821 411 E CB 0.027 29.803 29.700 0.126 0.000 0.750 411 E HN 0.831 nan 8.360 nan 0.000 0.477 412 E N 0.094 120.261 120.200 -0.055 0.000 2.072 412 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 412 E C 1.517 178.029 176.600 -0.148 0.000 0.982 412 E CA 1.147 57.507 56.400 -0.066 0.000 0.803 412 E CB 0.105 29.782 29.700 -0.038 0.000 0.755 412 E HN 0.241 nan 8.360 nan 0.000 0.453 413 D N 0.977 121.193 120.400 -0.307 0.000 2.106 413 D HA -0.212 4.428 4.640 -0.000 0.000 0.191 413 D C 2.111 178.107 176.300 -0.507 0.000 0.997 413 D CA 1.095 54.662 54.000 -0.721 0.000 0.834 413 D CB -0.370 39.568 40.800 -1.437 0.000 0.956 413 D HN 0.273 nan 8.370 nan 0.000 0.448 414 L N 0.232 121.222 121.223 -0.389 0.000 2.129 414 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 414 L C 2.176 179.079 176.870 0.054 0.000 1.087 414 L CA 1.230 55.987 54.840 -0.138 0.000 0.757 414 L CB -0.369 41.524 42.059 -0.277 0.000 0.896 414 L HN 0.036 nan 8.230 nan 0.000 0.434 415 K N -0.779 119.624 120.400 0.005 0.000 2.314 415 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 415 K C 0.511 177.162 176.600 0.085 0.000 1.045 415 K CA -0.065 56.254 56.287 0.053 0.000 0.988 415 K CB 0.014 32.529 32.500 0.024 0.000 0.783 415 K HN 0.066 nan 8.250 nan 0.000 0.484 416 D N 1.998 122.453 120.400 0.092 0.000 2.363 416 D HA -0.049 4.591 4.640 -0.000 0.000 0.263 416 D C 1.073 177.488 176.300 0.191 0.000 1.258 416 D CA -0.150 53.927 54.000 0.128 0.000 0.907 416 D CB 0.501 41.380 40.800 0.132 0.000 1.107 416 D HN 0.214 nan 8.370 nan 0.000 0.495 417 I N 1.019 121.672 120.570 0.138 0.000 3.010 417 I HA -0.111 4.059 4.170 -0.000 0.000 0.271 417 I C 0.630 176.822 176.117 0.126 0.000 1.293 417 I CA 0.797 62.173 61.300 0.125 0.000 1.452 417 I CB -0.117 37.934 38.000 0.085 0.000 1.082 417 I HN 0.188 nan 8.210 nan 0.000 0.484 418 N N 0.510 119.296 118.700 0.144 0.000 2.203 418 N HA 0.111 4.851 4.740 -0.000 0.000 0.207 418 N C -0.029 175.581 175.510 0.167 0.000 1.130 418 N CA -0.218 52.905 53.050 0.122 0.000 0.861 418 N CB 0.450 38.992 38.487 0.091 0.000 1.005 418 N HN 0.248 nan 8.380 nan 0.000 0.507 419 F N 3.018 123.029 119.950 0.100 0.000 2.495 419 F HA 0.159 4.686 4.527 -0.000 0.000 0.365 419 F C 0.448 176.364 175.800 0.193 0.000 1.090 419 F CA -0.630 57.439 58.000 0.114 0.000 1.235 419 F CB 0.449 39.513 39.000 0.106 0.000 1.119 419 F HN -0.213 nan 8.300 nan 0.000 0.562 420 R N 6.380 126.436 120.500 -0.741 0.000 2.204 420 R HA 0.176 4.516 4.340 -0.000 0.000 0.341 420 R C -1.129 174.759 176.300 -0.685 0.000 1.035 420 R CA -0.698 55.105 56.100 -0.495 0.000 0.887 420 R CB 0.280 30.393 30.300 -0.312 0.000 1.114 420 R HN 0.514 nan 8.270 nan 0.000 0.473 421 Y N 1.399 121.443 120.300 -0.426 0.000 2.550 421 Y HA 0.008 4.558 4.550 -0.000 0.000 0.343 421 Y C 1.239 177.164 175.900 0.042 0.000 1.245 421 Y CA -0.139 57.893 58.100 -0.113 0.000 1.462 421 Y CB 0.382 38.931 38.460 0.148 0.000 1.340 421 Y HN 0.613 nan 8.280 nan 0.000 0.604 422 A N 2.293 125.271 122.820 0.264 0.000 2.531 422 A HA 0.423 4.743 4.320 -0.000 0.000 0.236 422 A C 0.258 178.023 177.584 0.302 0.000 1.062 422 A CA 0.233 52.416 52.037 0.244 0.000 0.760 422 A CB -0.341 18.802 19.000 0.239 0.000 0.995 422 A HN 0.753 nan 8.150 nan 0.000 0.501 423 S N 0.481 116.348 115.700 0.278 0.000 2.677 423 S HA 0.727 5.197 4.470 -0.000 0.000 0.304 423 S C 0.530 175.334 174.600 0.340 0.000 1.108 423 S CA -0.128 58.245 58.200 0.289 0.000 0.944 423 S CB 1.797 65.120 63.200 0.205 0.000 1.127 423 S HN 1.637 nan 8.310 nan 0.000 0.511 424 A N 0.139 123.109 122.820 0.251 0.000 2.115 424 A HA 0.721 5.041 4.320 -0.000 0.000 0.211 424 A C 0.977 178.615 177.584 0.089 0.000 1.169 424 A CA 0.478 52.647 52.037 0.219 0.000 0.787 424 A CB -0.383 18.699 19.000 0.137 0.000 0.858 424 A HN 1.642 nan 8.150 nan 0.000 0.474 425 A N 1.144 123.976 122.820 0.019 0.000 2.569 425 A HA 0.622 4.942 4.320 -0.000 0.000 0.282 425 A C -3.141 174.370 177.584 -0.123 0.000 1.165 425 A CA -1.452 50.513 52.037 -0.120 0.000 0.747 425 A CB 0.815 19.787 19.000 -0.047 0.000 1.215 425 A HN 0.098 nan 8.150 nan 0.000 0.431 426 P HA 0.315 nan 4.420 nan 0.000 0.271 426 P C -0.758 176.513 177.300 -0.050 0.000 1.220 426 P CA 0.176 63.204 63.100 -0.119 0.000 0.768 426 P CB 0.976 32.560 31.700 -0.193 0.000 0.848 427 K N 1.414 121.818 120.400 0.005 0.000 2.557 427 K HA 0.131 4.450 4.320 -0.000 0.000 0.261 427 K C 0.791 177.425 176.600 0.056 0.000 0.932 427 K CA -0.574 55.730 56.287 0.028 0.000 0.829 427 K CB 1.109 33.619 32.500 0.017 0.000 1.358 427 K HN 0.297 nan 8.250 nan 0.000 0.430 428 H N 1.041 120.102 119.070 -0.016 0.000 2.319 428 H HA -0.001 4.555 4.556 -0.000 0.000 0.297 428 H C -0.055 175.265 175.328 -0.014 0.000 1.097 428 H CA 2.253 58.290 56.048 -0.019 0.000 1.285 428 H CB 0.373 30.121 29.762 -0.023 0.000 1.368 428 H HN 0.239 nan 8.280 nan 0.000 0.495 429 S N -0.442 115.172 115.700 -0.143 0.000 2.552 429 S HA 0.606 5.076 4.470 -0.000 0.000 0.314 429 S C -0.288 174.339 174.600 0.046 0.000 1.099 429 S CA -0.342 57.785 58.200 -0.123 0.000 1.070 429 S CB 0.266 63.364 63.200 -0.170 0.000 0.998 429 S HN 0.555 nan 8.310 nan 0.000 0.474 430 V N 4.234 124.215 119.914 0.112 0.000 2.814 430 V HA 0.338 4.458 4.120 -0.000 0.000 0.307 430 V C 1.080 177.350 176.094 0.294 0.000 1.089 430 V CA 0.772 63.160 62.300 0.146 0.000 1.212 430 V CB -0.304 31.540 31.823 0.034 0.000 0.912 430 V HN 0.964 nan 8.190 nan 0.000 0.497 431 T N 2.214 116.869 114.554 0.168 0.000 2.882 431 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 431 T C 0.302 175.087 174.700 0.142 0.000 1.014 431 T CA 0.041 62.203 62.100 0.103 0.000 1.049 431 T CB 0.223 69.106 68.868 0.025 0.000 1.001 431 T HN 0.770 nan 8.240 nan 0.000 0.525 432 H N -0.036 118.977 119.070 -0.094 0.000 2.703 432 H HA 0.242 4.798 4.556 -0.000 0.000 0.377 432 H C 0.171 175.411 175.328 -0.145 0.000 1.392 432 H CA -0.512 55.328 56.048 -0.347 0.000 1.458 432 H CB 0.527 29.995 29.762 -0.489 0.000 1.529 432 H HN 0.673 nan 8.280 nan 0.000 0.619 433 D N -0.643 119.774 120.400 0.029 0.000 2.350 433 D HA 0.110 4.750 4.640 -0.000 0.000 0.245 433 D C 0.606 176.945 176.300 0.064 0.000 1.036 433 D CA -0.572 53.458 54.000 0.050 0.000 0.848 433 D CB 1.847 42.676 40.800 0.048 0.000 1.307 433 D HN 0.756 nan 8.370 nan 0.000 0.469 434 G N 2.101 110.938 108.800 0.061 0.000 2.813 434 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.209 434 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.209 434 G C 0.740 175.683 174.900 0.072 0.000 1.150 434 G CA 0.234 45.377 45.100 0.072 0.000 0.785 434 G HN 0.461 nan 8.290 nan 0.000 0.535 435 T N 2.214 116.802 114.554 0.057 0.000 2.937 435 T HA 0.146 4.496 4.350 -0.000 0.000 0.316 435 T C 0.003 174.734 174.700 0.052 0.000 1.079 435 T CA -0.193 61.935 62.100 0.048 0.000 1.131 435 T CB 0.756 69.646 68.868 0.037 0.000 1.000 435 T HN 0.119 nan 8.240 nan 0.000 0.549 436 D N 1.469 121.895 120.400 0.043 0.000 2.515 436 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 436 D C 0.493 176.802 176.300 0.015 0.000 1.157 436 D CA 0.032 54.052 54.000 0.033 0.000 0.871 436 D CB 0.324 41.133 40.800 0.014 0.000 1.200 436 D HN 0.360 nan 8.370 nan 0.000 0.466 437 V N -1.320 118.594 119.914 -0.001 0.000 3.103 437 V HA 0.897 5.017 4.120 -0.000 0.000 0.318 437 V C 0.582 176.599 176.094 -0.129 0.000 1.114 437 V CA -0.901 61.383 62.300 -0.027 0.000 1.020 437 V CB 1.578 33.391 31.823 -0.016 0.000 1.085 437 V HN 0.467 nan 8.190 nan 0.000 0.446 438 G N 0.372 109.025 108.800 -0.245 0.000 2.476 438 G HA2 0.669 4.629 3.960 -0.000 0.000 0.286 438 G HA3 0.669 4.629 3.960 -0.000 0.000 0.286 438 G C -0.858 173.559 174.900 -0.805 0.000 1.177 438 G CA -0.690 43.955 45.100 -0.758 0.000 0.870 438 G HN 0.829 nan 8.290 nan 0.000 0.528 439 I N 0.063 120.088 120.570 -0.908 0.000 2.582 439 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 439 I C -1.008 174.791 176.117 -0.530 0.000 1.066 439 I CA -0.688 60.304 61.300 -0.514 0.000 1.053 439 I CB 2.358 40.220 38.000 -0.229 0.000 1.241 439 I HN 0.395 nan 8.210 nan 0.000 0.421 440 W N 5.453 126.692 121.300 -0.101 0.000 2.957 440 W HA 0.711 5.371 4.660 -0.000 0.000 0.336 440 W C -1.311 175.305 176.519 0.161 0.000 1.087 440 W CA -0.756 56.644 57.345 0.092 0.000 1.235 440 W CB 2.157 31.674 29.460 0.094 0.000 1.399 440 W HN 0.077 nan 8.180 nan 0.000 0.480 441 V N 2.150 122.353 119.914 0.481 0.000 3.049 441 V HA 0.508 4.628 4.120 -0.000 0.000 0.309 441 V C -0.488 175.571 176.094 -0.058 0.000 1.148 441 V CA -0.981 61.417 62.300 0.164 0.000 0.990 441 V CB 2.371 34.156 31.823 -0.064 0.000 1.039 441 V HN 0.622 nan 8.190 nan 0.000 0.430 442 N N 0.690 119.141 118.700 -0.416 0.000 2.331 442 N HA 0.659 5.399 4.740 -0.000 0.000 0.280 442 N C -0.336 174.978 175.510 -0.327 0.000 1.155 442 N CA 0.561 53.249 53.050 -0.602 0.000 0.822 442 N CB 2.607 40.196 38.487 -1.497 0.000 1.619 442 N HN 1.305 nan 8.380 nan 0.000 0.476 443 G N 1.796 110.455 108.800 -0.235 0.000 2.466 443 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.316 443 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.316 443 G C -3.126 171.712 174.900 -0.104 0.000 1.270 443 G CA -1.062 43.954 45.100 -0.140 0.000 0.982 443 G HN 0.431 nan 8.290 nan 0.000 0.506 444 P HA 0.402 nan 4.420 nan 0.000 0.261 444 P C 0.350 177.721 177.300 0.119 0.000 1.183 444 P CA 0.821 63.902 63.100 -0.032 0.000 0.761 444 P CB -0.231 31.493 31.700 0.041 0.000 0.785 445 F N 0.832 120.802 119.950 0.033 0.000 3.074 445 F HA -0.296 4.231 4.527 -0.000 0.000 0.289 445 F C 1.638 177.508 175.800 0.117 0.000 0.863 445 F CA 0.770 58.846 58.000 0.127 0.000 1.121 445 F CB -2.136 36.881 39.000 0.029 0.000 1.169 445 F HN 0.391 nan 8.300 nan 0.000 0.570 446 A N -0.282 122.599 122.820 0.103 0.000 2.019 446 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 446 A C 1.724 179.263 177.584 -0.075 0.000 1.164 446 A CA 1.698 53.724 52.037 -0.018 0.000 0.644 446 A CB -1.032 17.787 19.000 -0.301 0.000 0.805 446 A HN 0.830 nan 8.150 nan 0.000 0.449 447 H N -1.627 117.174 119.070 -0.448 0.000 2.562 447 H HA 0.316 4.872 4.556 -0.000 0.000 0.272 447 H C 1.193 176.594 175.328 0.123 0.000 1.019 447 H CA 0.185 56.159 56.048 -0.125 0.000 1.160 447 H CB -0.361 29.397 29.762 -0.006 0.000 1.334 447 H HN 0.377 nan 8.280 nan 0.000 0.611 448 L N -0.085 121.077 121.223 -0.101 0.000 2.552 448 L HA 0.064 4.404 4.340 -0.000 0.000 0.227 448 L C -0.247 176.353 176.870 -0.450 0.000 1.146 448 L CA 0.176 54.829 54.840 -0.312 0.000 0.858 448 L CB 0.082 41.848 42.059 -0.489 0.000 0.969 448 L HN 0.276 nan 8.230 nan 0.000 0.451 449 F N -0.501 119.542 119.950 0.154 0.000 2.310 449 F HA 0.195 4.722 4.527 -0.000 0.000 0.365 449 F C 1.107 177.131 175.800 0.375 0.000 1.080 449 F CA -0.433 57.690 58.000 0.206 0.000 1.187 449 F CB 0.789 39.884 39.000 0.159 0.000 1.465 449 F HN -0.140 nan 8.300 nan 0.000 0.496 450 T N -2.582 112.281 114.554 0.514 0.000 2.989 450 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 450 T C 1.138 175.936 174.700 0.165 0.000 0.981 450 T CA 0.454 62.748 62.100 0.325 0.000 0.980 450 T CB 0.166 69.178 68.868 0.241 0.000 1.133 450 T HN 0.447 nan 8.240 nan 0.000 0.489 451 G N 1.304 110.140 108.800 0.061 0.000 3.310 451 G HA2 0.600 4.560 3.960 -0.000 0.000 0.176 451 G HA3 0.600 4.560 3.960 -0.000 0.000 0.176 451 G C -1.126 173.468 174.900 -0.510 0.000 1.307 451 G CA -0.370 44.568 45.100 -0.271 0.000 0.935 451 G HN 0.319 nan 8.290 nan 0.000 0.628 452 V N 0.307 119.748 119.914 -0.788 0.000 2.540 452 V HA 0.632 4.752 4.120 -0.000 0.000 0.302 452 V C -1.479 174.069 176.094 -0.911 0.000 1.035 452 V CA -0.513 61.421 62.300 -0.609 0.000 0.873 452 V CB 0.993 32.630 31.823 -0.310 0.000 0.992 452 V HN 0.503 nan 8.190 nan 0.000 0.428 453 Y N 0.886 121.121 120.300 -0.108 0.000 2.524 453 Y HA 0.485 5.035 4.550 -0.000 0.000 0.347 453 Y C 0.336 176.220 175.900 -0.027 0.000 1.005 453 Y CA -1.175 56.826 58.100 -0.165 0.000 1.025 453 Y CB 1.302 39.589 38.460 -0.288 0.000 1.275 453 Y HN 0.487 nan 8.280 nan 0.000 0.460 454 E N 1.460 121.754 120.200 0.157 0.000 2.415 454 E HA -0.078 4.271 4.350 -0.000 0.000 0.262 454 E C 0.796 177.519 176.600 0.205 0.000 1.038 454 E CA 0.131 56.608 56.400 0.129 0.000 0.921 454 E CB 0.892 30.649 29.700 0.095 0.000 0.950 454 E HN 0.911 nan 8.360 nan 0.000 0.438 455 E N 2.587 122.875 120.200 0.148 0.000 2.204 455 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 455 E C 1.256 178.026 176.600 0.282 0.000 0.990 455 E CA 1.075 57.606 56.400 0.218 0.000 0.821 455 E CB 0.120 29.926 29.700 0.176 0.000 0.750 455 E HN 0.457 nan 8.360 nan 0.000 0.477 456 N N 0.169 119.005 118.700 0.226 0.000 2.515 456 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 456 N C 1.645 177.372 175.510 0.362 0.000 1.109 456 N CA 0.553 53.757 53.050 0.257 0.000 0.903 456 N CB -0.520 38.075 38.487 0.179 0.000 0.969 456 N HN 0.342 nan 8.380 nan 0.000 0.450 457 Y N 1.657 122.073 120.300 0.193 0.000 2.274 457 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 457 Y C 2.103 178.132 175.900 0.215 0.000 1.145 457 Y CA 0.985 59.169 58.100 0.141 0.000 1.203 457 Y CB -0.242 38.247 38.460 0.048 0.000 0.984 457 Y HN -0.070 nan 8.280 nan 0.000 0.533 458 I N 1.364 122.137 120.570 0.338 0.000 2.087 458 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 458 I C -0.420 175.839 176.117 0.237 0.000 1.054 458 I CA 1.986 63.498 61.300 0.354 0.000 1.311 458 I CB -1.538 36.736 38.000 0.458 0.000 1.024 458 I HN 0.216 nan 8.210 nan 0.000 0.402 459 P HA -0.159 nan 4.420 nan 0.000 0.221 459 P C 1.357 178.663 177.300 0.010 0.000 1.150 459 P CA 1.698 64.891 63.100 0.154 0.000 0.800 459 P CB -0.318 31.445 31.700 0.104 0.000 0.787 460 H N 0.128 119.159 119.070 -0.065 0.000 2.326 460 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 460 H C 2.082 177.268 175.328 -0.238 0.000 1.081 460 H CA 1.583 57.545 56.048 -0.143 0.000 1.334 460 H CB -0.466 29.198 29.762 -0.164 0.000 1.385 460 H HN 0.108 nan 8.280 nan 0.000 0.504 461 A N 1.316 123.922 122.820 -0.356 0.000 1.902 461 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 461 A C 2.658 180.194 177.584 -0.080 0.000 1.181 461 A CA 0.929 52.686 52.037 -0.466 0.000 0.623 461 A CB -0.854 17.512 19.000 -1.057 0.000 0.818 461 A HN 0.232 nan 8.150 nan 0.000 0.443 462 L N -0.731 120.552 121.223 0.099 0.000 2.046 462 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 462 L C 3.094 180.054 176.870 0.150 0.000 1.077 462 L CA 1.058 56.023 54.840 0.208 0.000 0.747 462 L CB -0.605 41.633 42.059 0.298 0.000 0.896 462 L HN 0.437 nan 8.230 nan 0.000 0.432 463 A N -0.522 122.349 122.820 0.085 0.000 1.902 463 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 463 A C 2.218 179.783 177.584 -0.031 0.000 1.181 463 A CA 1.663 53.713 52.037 0.021 0.000 0.623 463 A CB -0.971 17.980 19.000 -0.081 0.000 0.818 463 A HN 0.486 nan 8.150 nan 0.000 0.443 464 Y N 0.686 120.895 120.300 -0.150 0.000 2.151 464 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 464 Y C 2.529 178.280 175.900 -0.248 0.000 1.166 464 Y CA 1.631 59.605 58.100 -0.209 0.000 1.163 464 Y CB -0.413 37.877 38.460 -0.284 0.000 0.974 464 Y HN 0.295 nan 8.280 nan 0.000 0.511 465 A N -0.362 122.422 122.820 -0.059 0.000 2.016 465 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 465 A C 2.173 179.741 177.584 -0.028 0.000 1.162 465 A CA 1.063 53.029 52.037 -0.118 0.000 0.662 465 A CB -1.020 18.039 19.000 0.100 0.000 0.812 465 A HN 0.546 nan 8.150 nan 0.000 0.450 466 A N -2.186 120.632 122.820 -0.004 0.000 2.195 466 A HA 0.334 4.654 4.320 -0.000 0.000 0.210 466 A C 1.038 178.541 177.584 -0.135 0.000 1.165 466 A CA 0.679 52.703 52.037 -0.023 0.000 0.806 466 A CB -0.985 18.041 19.000 0.044 0.000 0.847 466 A HN 0.987 nan 8.150 nan 0.000 0.482 467 c N -0.577 117.930 118.600 -0.156 0.000 4.354 467 c HA -0.021 4.548 4.570 -0.000 0.000 0.307 467 c C 0.552 174.520 174.090 -0.202 0.000 1.318 467 c CA 0.088 56.308 56.329 -0.182 0.000 2.060 467 c CB -3.446 38.989 42.510 -0.125 0.000 1.283 467 c HN 1.203 nan 8.230 nan 0.000 0.723 468 V N -1.944 117.847 119.914 -0.205 0.000 3.141 468 V HA 1.068 5.188 4.120 -0.000 0.000 0.312 468 V C 0.645 176.589 176.094 -0.249 0.000 1.157 468 V CA 0.628 62.816 62.300 -0.185 0.000 1.041 468 V CB 1.450 33.162 31.823 -0.185 0.000 1.071 468 V HN 2.449 nan 8.190 nan 0.000 0.441 469 G N 1.521 110.127 108.800 -0.324 0.000 2.782 469 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.228 469 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.228 469 G C 0.414 174.915 174.900 -0.665 0.000 1.372 469 G CA 0.531 45.048 45.100 -0.971 0.000 0.862 469 G HN 2.511 nan 8.290 nan 0.000 0.547 470 T N -1.680 112.424 114.554 -0.750 0.000 3.176 470 T HA 0.612 4.962 4.350 -0.000 0.000 0.263 470 T C 1.169 175.735 174.700 -0.224 0.000 1.021 470 T CA 1.068 62.945 62.100 -0.372 0.000 0.905 470 T CB 0.375 69.067 68.868 -0.293 0.000 1.057 470 T HN 1.862 nan 8.240 nan 0.000 0.558 471 G N 0.751 109.418 108.800 -0.221 0.000 2.671 471 G HA2 0.550 4.510 3.960 -0.000 0.000 0.275 471 G HA3 0.550 4.510 3.960 -0.000 0.000 0.275 471 G C -0.660 174.203 174.900 -0.062 0.000 1.368 471 G CA -1.407 43.640 45.100 -0.088 0.000 1.044 471 G HN 0.496 nan 8.290 nan 0.000 0.543 472 R N -0.850 119.658 120.500 0.012 0.000 2.570 472 R HA 0.373 4.713 4.340 -0.000 0.000 0.277 472 R C -0.675 175.679 176.300 0.091 0.000 1.039 472 R CA 0.494 56.634 56.100 0.067 0.000 1.065 472 R CB 0.101 30.474 30.300 0.121 0.000 0.964 472 R HN 0.369 nan 8.270 nan 0.000 0.428 473 T N 4.136 118.640 114.554 -0.084 0.000 2.900 473 T HA 0.158 4.508 4.350 -0.000 0.000 0.295 473 T C 0.173 174.428 174.700 -0.742 0.000 1.044 473 T CA -0.624 61.221 62.100 -0.425 0.000 0.995 473 T CB 1.043 69.748 68.868 -0.271 0.000 1.072 473 T HN 0.560 nan 8.240 nan 0.000 0.473 474 F N 1.562 120.688 119.950 -1.372 0.000 2.171 474 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 474 F C 2.178 177.769 175.800 -0.348 0.000 1.090 474 F CA 1.329 58.781 58.000 -0.913 0.000 1.293 474 F CB -0.434 38.152 39.000 -0.690 0.000 1.013 474 F HN 0.615 nan 8.300 nan 0.000 0.486 475 c N 0.147 118.492 118.600 -0.425 0.000 2.468 475 c HA -0.051 4.518 4.570 -0.000 0.000 0.277 475 c C 1.434 175.340 174.090 -0.306 0.000 1.400 475 c CA -0.411 55.686 56.329 -0.387 0.000 1.770 475 c CB -1.291 41.096 42.510 -0.204 0.000 1.905 475 c HN 0.362 nan 8.230 nan 0.000 0.519 476 D N 0.000 120.242 120.400 -0.263 0.000 6.856 476 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 476 D CA 0.000 53.896 54.000 -0.174 0.000 0.868 476 D CB 0.000 40.719 40.800 -0.135 0.000 0.688 476 D HN 0.000 nan 8.370 nan 0.000 0.683