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 2gci_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.537 177.584 -0.079 0.000 1.274 2 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 2 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 3 G N 0.333 109.070 108.800 -0.105 0.000 2.631 3 G HA2 0.416 4.376 3.960 0.000 0.000 0.271 3 G HA3 0.416 4.376 3.960 0.000 0.000 0.271 3 G C -0.916 173.826 174.900 -0.262 0.000 1.302 3 G CA 0.013 44.997 45.100 -0.193 0.000 1.002 3 G HN 0.258 nan 8.290 nan 0.000 0.519 4 P HA -0.016 nan 4.420 nan 0.000 0.226 4 P C 1.321 178.473 177.300 -0.247 0.000 1.153 4 P CA 0.819 63.676 63.100 -0.406 0.000 0.777 4 P CB 0.202 31.475 31.700 -0.711 0.000 0.794 5 L N -0.756 120.336 121.223 -0.219 0.000 2.629 5 L HA 0.161 4.502 4.340 0.000 0.000 0.230 5 L C 1.111 177.923 176.870 -0.098 0.000 1.151 5 L CA -0.202 54.558 54.840 -0.133 0.000 0.924 5 L CB -0.366 41.627 42.059 -0.111 0.000 1.137 5 L HN -0.100 nan 8.230 nan 0.000 0.457 6 S N 0.466 116.105 115.700 -0.101 0.000 2.546 6 S HA 0.254 4.725 4.470 0.000 0.000 0.290 6 S C 1.210 175.769 174.600 -0.067 0.000 1.262 6 S CA 1.046 59.203 58.200 -0.072 0.000 1.083 6 S CB 0.214 63.373 63.200 -0.069 0.000 0.859 6 S HN 0.700 nan 8.310 nan 0.000 0.495 7 G N 3.467 112.231 108.800 -0.061 0.000 2.278 7 G HA2 -0.200 3.760 3.960 0.000 0.000 0.210 7 G HA3 -0.200 3.760 3.960 0.000 0.000 0.210 7 G C -0.091 174.741 174.900 -0.113 0.000 1.000 7 G CA -0.085 44.967 45.100 -0.080 0.000 0.635 7 G HN 0.815 nan 8.290 nan 0.000 0.495 8 L N 2.398 123.565 121.223 -0.094 0.000 2.410 8 L HA 0.627 4.967 4.340 0.000 0.000 0.273 8 L C 0.718 177.515 176.870 -0.123 0.000 1.144 8 L CA -0.043 54.734 54.840 -0.104 0.000 0.863 8 L CB 0.356 42.374 42.059 -0.068 0.000 1.140 8 L HN 0.268 nan 8.230 nan 0.000 0.463 9 R N 4.106 124.472 120.500 -0.222 0.000 2.255 9 R HA 0.598 4.938 4.340 0.000 0.000 0.326 9 R C -1.281 174.954 176.300 -0.107 0.000 0.986 9 R CA -0.669 55.240 56.100 -0.318 0.000 0.847 9 R CB 1.429 31.137 30.300 -0.988 0.000 1.111 9 R HN 0.435 nan 8.270 nan 0.000 0.452 10 V N 4.112 124.089 119.914 0.104 0.000 2.487 10 V HA 0.337 4.457 4.120 0.000 0.000 0.298 10 V C -0.221 175.998 176.094 0.208 0.000 1.028 10 V CA -0.900 61.465 62.300 0.109 0.000 0.860 10 V CB 2.064 33.924 31.823 0.062 0.000 0.991 10 V HN 0.428 nan 8.190 nan 0.000 0.427 11 V N 4.139 124.137 119.914 0.141 0.000 2.370 11 V HA 0.430 4.550 4.120 0.000 0.000 0.283 11 V C 0.053 176.161 176.094 0.023 0.000 1.023 11 V CA -0.452 61.914 62.300 0.110 0.000 0.857 11 V CB 1.531 33.421 31.823 0.111 0.000 0.985 11 V HN 0.967 nan 8.190 nan 0.000 0.443 12 E N 5.191 125.400 120.200 0.015 0.000 2.158 12 E HA 0.475 4.825 4.350 0.000 0.000 0.271 12 E C -1.299 175.293 176.600 -0.013 0.000 0.911 12 E CA -0.702 55.688 56.400 -0.015 0.000 0.767 12 E CB 1.413 31.111 29.700 -0.004 0.000 1.120 12 E HN 0.639 nan 8.360 nan 0.000 0.405 13 L N 3.870 125.069 121.223 -0.041 0.000 2.261 13 L HA 0.371 4.711 4.340 0.000 0.000 0.289 13 L C 0.391 177.251 176.870 -0.016 0.000 1.059 13 L CA -0.772 54.076 54.840 0.014 0.000 0.816 13 L CB 1.112 43.209 42.059 0.064 0.000 1.191 13 L HN 0.652 nan 8.230 nan 0.000 0.431 14 A N 3.451 126.312 122.820 0.069 0.000 2.550 14 A HA 0.390 4.711 4.320 0.000 0.000 0.263 14 A C 0.736 178.366 177.584 0.077 0.000 1.065 14 A CA 0.870 52.946 52.037 0.066 0.000 0.786 14 A CB -0.327 18.725 19.000 0.086 0.000 0.985 14 A HN 0.893 nan 8.150 nan 0.000 0.518 15 G N 0.941 109.740 108.800 -0.001 0.000 3.247 15 G HA2 0.673 4.633 3.960 0.000 0.000 0.199 15 G HA3 0.673 4.633 3.960 0.000 0.000 0.199 15 G C -0.697 174.230 174.900 0.044 0.000 1.172 15 G CA -0.671 44.428 45.100 -0.001 0.000 0.844 15 G HN 0.689 nan 8.290 nan 0.000 0.619 16 I N -0.098 120.498 120.570 0.044 0.000 2.722 16 I HA 0.543 4.713 4.170 0.000 0.000 0.295 16 I C 0.790 176.957 176.117 0.083 0.000 1.161 16 I CA 0.215 61.563 61.300 0.080 0.000 1.032 16 I CB 1.914 39.973 38.000 0.099 0.000 1.244 16 I HN 1.174 nan 8.210 nan 0.000 0.421 17 G N 6.649 115.530 108.800 0.135 0.000 2.588 17 G HA2 -0.205 3.755 3.960 0.000 0.000 0.273 17 G HA3 -0.205 3.755 3.960 0.000 0.000 0.273 17 G C -2.033 173.006 174.900 0.231 0.000 1.211 17 G CA 0.223 45.409 45.100 0.144 0.000 0.958 17 G HN 0.435 nan 8.290 nan 0.000 0.543 18 P HA -0.006 nan 4.420 nan 0.000 0.216 18 P C 2.052 179.462 177.300 0.184 0.000 1.153 18 P CA 2.819 66.020 63.100 0.170 0.000 0.848 18 P CB -0.739 30.970 31.700 0.016 0.000 0.787 19 G N 1.377 110.225 108.800 0.080 0.000 2.459 19 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 19 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 19 G C -0.573 174.370 174.900 0.071 0.000 1.183 19 G CA 1.164 46.286 45.100 0.037 0.000 0.776 19 G HN 0.299 nan 8.290 nan 0.000 0.552 20 P HA -0.098 nan 4.420 nan 0.000 0.223 20 P C 1.113 178.492 177.300 0.133 0.000 1.151 20 P CA 1.451 64.608 63.100 0.094 0.000 0.787 20 P CB -0.049 31.710 31.700 0.099 0.000 0.788 21 H N 0.769 119.902 119.070 0.105 0.000 2.363 21 H HA 0.106 4.662 4.556 0.000 0.000 0.301 21 H C 2.018 177.383 175.328 0.063 0.000 1.074 21 H CA 1.869 57.965 56.048 0.081 0.000 1.354 21 H CB -0.612 29.255 29.762 0.174 0.000 1.397 21 H HN -0.026 nan 8.280 nan 0.000 0.516 22 A N 1.017 123.892 122.820 0.091 0.000 1.883 22 A HA -0.132 4.188 4.320 0.000 0.000 0.217 22 A C 2.595 180.158 177.584 -0.034 0.000 1.186 22 A CA 1.973 54.014 52.037 0.005 0.000 0.624 22 A CB -1.462 17.575 19.000 0.061 0.000 0.822 22 A HN 0.612 nan 8.150 nan 0.000 0.444 23 A N -0.849 121.967 122.820 -0.006 0.000 1.972 23 A HA -0.122 4.198 4.320 0.000 0.000 0.219 23 A C 2.243 179.810 177.584 -0.028 0.000 1.169 23 A CA 1.838 53.869 52.037 -0.011 0.000 0.635 23 A CB -0.542 18.460 19.000 0.003 0.000 0.810 23 A HN 0.652 nan 8.150 nan 0.000 0.446 24 M N -0.432 119.139 119.600 -0.049 0.000 2.086 24 M HA -0.134 4.347 4.480 0.000 0.000 0.261 24 M C 1.913 178.160 176.300 -0.090 0.000 1.067 24 M CA 1.945 57.206 55.300 -0.064 0.000 1.116 24 M CB -0.310 32.246 32.600 -0.074 0.000 1.348 24 M HN 0.428 nan 8.290 nan 0.000 0.407 25 I N 0.413 120.893 120.570 -0.150 0.000 2.252 25 I HA -0.321 3.849 4.170 0.000 0.000 0.245 25 I C 2.243 178.322 176.117 -0.063 0.000 1.102 25 I CA 1.039 62.264 61.300 -0.126 0.000 1.385 25 I CB -0.428 37.469 38.000 -0.172 0.000 1.064 25 I HN 0.367 nan 8.210 nan 0.000 0.414 26 L N 0.432 121.623 121.223 -0.053 0.000 2.012 26 L HA -0.178 4.162 4.340 0.000 0.000 0.210 26 L C 2.700 179.551 176.870 -0.032 0.000 1.073 26 L CA 1.756 56.576 54.840 -0.035 0.000 0.748 26 L CB -1.260 40.786 42.059 -0.022 0.000 0.891 26 L HN 0.332 nan 8.230 nan 0.000 0.431 27 G N -0.531 108.254 108.800 -0.026 0.000 2.418 27 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 27 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 27 G C 1.117 176.000 174.900 -0.029 0.000 1.158 27 G CA 0.807 45.897 45.100 -0.018 0.000 0.771 27 G HN 0.296 nan 8.290 nan 0.000 0.545 28 D N 0.693 121.073 120.400 -0.034 0.000 2.133 28 D HA -0.090 4.550 4.640 0.000 0.000 0.195 28 D C 2.336 178.615 176.300 -0.034 0.000 0.997 28 D CA 0.682 54.662 54.000 -0.033 0.000 0.840 28 D CB -0.244 40.539 40.800 -0.028 0.000 0.947 28 D HN 0.316 nan 8.370 nan 0.000 0.452 29 L N -1.075 120.123 121.223 -0.042 0.000 2.612 29 L HA 0.250 4.590 4.340 0.000 0.000 0.230 29 L C 1.447 178.247 176.870 -0.117 0.000 1.140 29 L CA 0.433 55.223 54.840 -0.084 0.000 0.896 29 L CB 0.015 42.016 42.059 -0.097 0.000 1.065 29 L HN 0.167 nan 8.230 nan 0.000 0.447 30 G N -0.245 108.510 108.800 -0.075 0.000 2.192 30 G HA2 -0.188 3.772 3.960 0.000 0.000 0.193 30 G HA3 -0.188 3.772 3.960 0.000 0.000 0.193 30 G C 0.432 175.305 174.900 -0.045 0.000 0.999 30 G CA -0.164 44.896 45.100 -0.066 0.000 0.659 30 G HN 0.436 nan 8.290 nan 0.000 0.503 31 A N 0.289 123.086 122.820 -0.039 0.000 2.466 31 A HA 0.472 4.792 4.320 0.000 0.000 0.238 31 A C 0.359 177.959 177.584 0.026 0.000 1.074 31 A CA 0.670 52.697 52.037 -0.017 0.000 0.774 31 A CB 0.302 19.292 19.000 -0.016 0.000 1.015 31 A HN 0.324 nan 8.150 nan 0.000 0.498 32 D N 1.949 122.387 120.400 0.063 0.000 2.435 32 D HA 0.319 4.959 4.640 0.000 0.000 0.230 32 D C -0.731 175.718 176.300 0.249 0.000 1.215 32 D CA 0.186 54.292 54.000 0.176 0.000 0.947 32 D CB 0.035 40.985 40.800 0.249 0.000 1.048 32 D HN 0.101 nan 8.370 nan 0.000 0.512 33 V N 4.282 124.288 119.914 0.153 0.000 2.350 33 V HA 0.262 4.383 4.120 0.000 0.000 0.276 33 V C 0.345 176.487 176.094 0.081 0.000 1.028 33 V CA -0.801 61.572 62.300 0.123 0.000 0.860 33 V CB 1.664 33.521 31.823 0.056 0.000 0.990 33 V HN 0.199 nan 8.190 nan 0.000 0.453 34 V N 6.153 126.116 119.914 0.080 0.000 2.357 34 V HA 0.487 4.607 4.120 0.000 0.000 0.284 34 V C 0.189 176.271 176.094 -0.020 0.000 1.018 34 V CA -0.680 61.591 62.300 -0.048 0.000 0.841 34 V CB 1.597 33.269 31.823 -0.251 0.000 0.991 34 V HN 0.885 nan 8.190 nan 0.000 0.437 35 R N 5.467 125.951 120.500 -0.027 0.000 2.294 35 R HA 0.627 4.967 4.340 0.000 0.000 0.319 35 R C -1.093 175.200 176.300 -0.011 0.000 0.984 35 R CA -0.567 55.528 56.100 -0.007 0.000 0.861 35 R CB 0.960 31.260 30.300 0.001 0.000 1.104 35 R HN 0.697 nan 8.270 nan 0.000 0.451 36 I N 4.216 124.789 120.570 0.006 0.000 2.312 36 I HA 0.208 4.378 4.170 0.000 0.000 0.290 36 I C 0.005 176.145 176.117 0.038 0.000 1.008 36 I CA -0.425 60.883 61.300 0.013 0.000 1.226 36 I CB 1.305 39.318 38.000 0.023 0.000 1.371 36 I HN 0.580 nan 8.210 nan 0.000 0.468 37 D N 5.681 126.099 120.400 0.029 0.000 2.449 37 D HA 0.432 5.072 4.640 0.000 0.000 0.250 37 D C -0.176 176.144 176.300 0.034 0.000 1.050 37 D CA -0.658 53.368 54.000 0.042 0.000 1.024 37 D CB 1.620 42.440 40.800 0.032 0.000 1.218 37 D HN 0.329 nan 8.370 nan 0.000 0.566 38 R N 0.906 121.428 120.500 0.037 0.000 2.441 38 R HA 0.419 4.759 4.340 0.000 0.000 0.284 38 R C -1.784 174.525 176.300 0.014 0.000 1.070 38 R CA -1.114 54.999 56.100 0.022 0.000 1.047 38 R CB 0.269 30.581 30.300 0.020 0.000 1.016 38 R HN 0.277 nan 8.270 nan 0.000 0.477 46 S N 5.721 121.423 115.700 0.003 0.000 2.585 46 S HA 0.408 4.878 4.470 0.000 0.000 0.273 46 S C 0.813 175.415 174.600 0.004 0.000 1.339 46 S CA -0.245 57.959 58.200 0.006 0.000 1.028 46 S CB 0.967 64.174 63.200 0.011 0.000 0.906 46 S HN 0.791 nan 8.310 nan 0.000 0.528 47 R N 1.280 121.782 120.500 0.003 0.000 2.362 47 R HA 0.118 4.459 4.340 0.000 0.000 0.227 47 R C -0.557 175.743 176.300 -0.001 0.000 0.905 47 R CA -0.059 56.040 56.100 -0.002 0.000 1.067 47 R CB 0.000 30.297 30.300 -0.005 0.000 1.078 47 R HN 0.618 nan 8.270 nan 0.000 0.516 48 D N 0.348 120.753 120.400 0.008 0.000 2.347 48 D HA 0.146 4.787 4.640 0.000 0.000 0.235 48 D C 0.820 177.129 176.300 0.015 0.000 1.149 48 D CA -0.156 53.851 54.000 0.012 0.000 0.850 48 D CB 1.538 42.351 40.800 0.022 0.000 1.061 48 D HN 0.074 nan 8.370 nan 0.000 0.487 49 A N 4.547 127.373 122.820 0.010 0.000 2.067 49 A HA -0.155 4.165 4.320 0.000 0.000 0.219 49 A C 2.045 179.650 177.584 0.036 0.000 1.158 49 A CA 0.910 52.960 52.037 0.021 0.000 0.661 49 A CB -0.580 18.422 19.000 0.004 0.000 0.801 49 A HN 0.750 nan 8.150 nan 0.000 0.452 50 M N -0.522 119.097 119.600 0.031 0.000 2.358 50 M HA -0.021 4.459 4.480 0.000 0.000 0.264 50 M C 0.537 176.860 176.300 0.039 0.000 1.064 50 M CA 1.362 56.687 55.300 0.041 0.000 1.093 50 M CB -0.199 32.434 32.600 0.055 0.000 1.401 50 M HN 0.353 nan 8.290 nan 0.000 0.440 51 L N 1.683 122.926 121.223 0.034 0.000 2.737 51 L HA 0.158 4.498 4.340 0.000 0.000 0.236 51 L C 0.873 177.757 176.870 0.024 0.000 1.219 51 L CA -0.514 54.343 54.840 0.028 0.000 1.021 51 L CB -0.994 41.080 42.059 0.025 0.000 1.291 51 L HN 0.320 nan 8.230 nan 0.000 0.470 52 R N -0.522 119.997 120.500 0.032 0.000 2.774 52 R HA 0.048 4.388 4.340 0.000 0.000 0.269 52 R C -0.038 176.271 176.300 0.015 0.000 1.068 52 R CA -0.429 55.691 56.100 0.032 0.000 1.180 52 R CB 0.109 30.445 30.300 0.061 0.000 1.077 52 R HN 0.137 nan 8.270 nan 0.000 0.513 53 N N 0.250 118.954 118.700 0.006 0.000 2.740 53 N HA -0.146 4.594 4.740 0.000 0.000 0.248 53 N C -1.140 174.372 175.510 0.003 0.000 1.062 53 N CA 1.093 54.141 53.050 -0.003 0.000 0.704 53 N CB -0.500 37.981 38.487 -0.011 0.000 0.968 53 N HN 0.574 nan 8.380 nan 0.000 0.547 54 R N 0.172 120.674 120.500 0.003 0.000 2.912 54 R HA 0.555 4.895 4.340 0.000 0.000 0.262 54 R C 0.430 176.723 176.300 -0.011 0.000 1.057 54 R CA -0.627 55.474 56.100 0.001 0.000 0.981 54 R CB 1.394 31.695 30.300 0.001 0.000 1.201 54 R HN 0.091 nan 8.270 nan 0.000 0.484 55 R N 0.738 121.223 120.500 -0.025 0.000 2.494 55 R HA 0.515 4.855 4.340 0.000 0.000 0.305 55 R C -0.394 175.874 176.300 -0.053 0.000 0.959 55 R CA -0.864 55.206 56.100 -0.050 0.000 0.864 55 R CB 1.496 31.742 30.300 -0.089 0.000 1.159 55 R HN 0.316 nan 8.270 nan 0.000 0.446 56 I N 4.625 125.168 120.570 -0.045 0.000 2.336 56 I HA 0.269 4.439 4.170 0.000 0.000 0.292 56 I C 0.439 176.525 176.117 -0.051 0.000 0.991 56 I CA -0.605 60.673 61.300 -0.037 0.000 1.227 56 I CB 1.197 39.186 38.000 -0.019 0.000 1.366 56 I HN 0.374 nan 8.210 nan 0.000 0.466 57 V N 3.085 122.966 119.914 -0.054 0.000 3.113 57 V HA 0.803 4.923 4.120 0.000 0.000 0.316 57 V C -0.222 175.853 176.094 -0.030 0.000 1.125 57 V CA -0.432 61.836 62.300 -0.055 0.000 1.026 57 V CB 2.120 33.893 31.823 -0.083 0.000 1.080 57 V HN 0.745 nan 8.190 nan 0.000 0.444 58 T N 1.322 115.861 114.554 -0.025 0.000 2.886 58 T HA 0.863 5.213 4.350 0.000 0.000 0.292 58 T C -0.649 174.045 174.700 -0.009 0.000 1.012 58 T CA 0.240 62.334 62.100 -0.010 0.000 0.982 58 T CB 1.313 70.177 68.868 -0.007 0.000 1.018 58 T HN 1.681 nan 8.240 nan 0.000 0.451 59 A N 2.660 125.480 122.820 0.000 0.000 2.566 59 A HA 0.589 4.909 4.320 0.000 0.000 0.297 59 A C -1.399 176.188 177.584 0.005 0.000 1.059 59 A CA -0.786 51.251 52.037 0.001 0.000 0.691 59 A CB 1.529 20.530 19.000 0.002 0.000 1.282 59 A HN 0.710 nan 8.150 nan 0.000 0.401 60 D N 2.412 122.813 120.400 0.002 0.000 2.402 60 D HA 0.305 4.945 4.640 0.000 0.000 0.235 60 D C 0.713 177.013 176.300 0.000 0.000 1.226 60 D CA -0.139 53.861 54.000 -0.001 0.000 0.918 60 D CB 0.110 40.908 40.800 -0.003 0.000 1.043 60 D HN 0.404 nan 8.370 nan 0.000 0.506 61 L N 2.950 124.173 121.223 -0.000 0.000 2.551 61 L HA -0.016 4.324 4.340 0.000 0.000 0.228 61 L C 2.002 178.871 176.870 -0.002 0.000 1.153 61 L CA 0.569 55.412 54.840 0.004 0.000 0.851 61 L CB -0.106 41.958 42.059 0.008 0.000 0.959 61 L HN 0.345 nan 8.230 nan 0.000 0.451 62 K N -0.298 120.096 120.400 -0.009 0.000 2.356 62 K HA 0.060 4.380 4.320 0.000 0.000 0.195 62 K C 1.133 177.731 176.600 -0.003 0.000 1.037 62 K CA 0.102 56.383 56.287 -0.010 0.000 1.014 62 K CB 0.409 32.898 32.500 -0.018 0.000 0.815 62 K HN 0.301 nan 8.250 nan 0.000 0.507 63 S N 0.634 116.333 115.700 -0.001 0.000 2.632 63 S HA 0.089 4.559 4.470 0.000 0.000 0.267 63 S C 0.601 175.204 174.600 0.005 0.000 1.276 63 S CA -0.682 57.519 58.200 0.001 0.000 0.998 63 S CB 1.262 64.463 63.200 0.001 0.000 0.953 63 S HN -0.047 nan 8.310 nan 0.000 0.547 64 D N 0.520 120.923 120.400 0.005 0.000 2.097 64 D HA -0.138 4.502 4.640 0.000 0.000 0.195 64 D C 1.980 178.285 176.300 0.008 0.000 0.989 64 D CA 1.623 55.628 54.000 0.007 0.000 0.827 64 D CB -0.416 40.388 40.800 0.006 0.000 0.966 64 D HN 0.816 nan 8.370 nan 0.000 0.456 65 Q N 0.377 120.180 119.800 0.006 0.000 2.050 65 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 65 Q C 2.154 178.158 176.000 0.007 0.000 0.980 65 Q CA 1.965 57.772 55.803 0.006 0.000 0.840 65 Q CB -0.440 28.300 28.738 0.003 0.000 0.898 65 Q HN 0.257 nan 8.270 nan 0.000 0.424 66 G N 1.434 110.238 108.800 0.006 0.000 2.440 66 G HA2 -0.280 3.681 3.960 0.000 0.000 0.218 66 G HA3 -0.280 3.681 3.960 0.000 0.000 0.218 66 G C 1.360 176.268 174.900 0.014 0.000 1.154 66 G CA 0.957 46.061 45.100 0.008 0.000 0.767 66 G HN 0.409 nan 8.290 nan 0.000 0.552 67 L N 0.574 121.807 121.223 0.017 0.000 2.093 67 L HA 0.103 4.443 4.340 0.000 0.000 0.208 67 L C 2.496 179.383 176.870 0.028 0.000 1.085 67 L CA 2.357 57.212 54.840 0.025 0.000 0.755 67 L CB -0.575 41.498 42.059 0.024 0.000 0.904 67 L HN 0.427 nan 8.230 nan 0.000 0.435 68 E N -0.545 119.668 120.200 0.022 0.000 2.051 68 E HA -0.230 4.120 4.350 0.000 0.000 0.192 68 E C 2.185 178.800 176.600 0.025 0.000 0.991 68 E CA 1.744 58.157 56.400 0.023 0.000 0.799 68 E CB -0.192 29.518 29.700 0.017 0.000 0.748 68 E HN 0.590 nan 8.360 nan 0.000 0.449 69 L N 0.388 121.622 121.223 0.019 0.000 2.027 69 L HA -0.135 4.206 4.340 0.000 0.000 0.206 69 L C 2.699 179.583 176.870 0.024 0.000 1.074 69 L CA 1.112 55.961 54.840 0.016 0.000 0.745 69 L CB -0.526 41.534 42.059 0.002 0.000 0.898 69 L HN 0.181 nan 8.230 nan 0.000 0.433 70 A N 0.129 122.965 122.820 0.026 0.000 1.908 70 A HA -0.197 4.123 4.320 0.000 0.000 0.218 70 A C 2.294 179.912 177.584 0.057 0.000 1.181 70 A CA 1.671 53.731 52.037 0.038 0.000 0.627 70 A CB -0.813 18.212 19.000 0.041 0.000 0.818 70 A HN 0.382 nan 8.150 nan 0.000 0.445 71 L N -1.166 120.090 121.223 0.055 0.000 2.201 71 L HA -0.141 4.200 4.340 0.000 0.000 0.212 71 L C 2.502 179.412 176.870 0.067 0.000 1.105 71 L CA 1.262 56.140 54.840 0.064 0.000 0.775 71 L CB -0.262 41.830 42.059 0.056 0.000 0.913 71 L HN 0.382 nan 8.230 nan 0.000 0.440 72 K N -0.575 119.861 120.400 0.061 0.000 2.155 72 K HA -0.138 4.182 4.320 0.000 0.000 0.203 72 K C 1.895 178.558 176.600 0.105 0.000 1.052 72 K CA 0.809 57.137 56.287 0.068 0.000 0.948 72 K CB 0.031 32.562 32.500 0.051 0.000 0.728 72 K HN 0.084 nan 8.250 nan 0.000 0.448 73 L N 0.951 122.238 121.223 0.106 0.000 2.209 73 L HA 0.024 4.364 4.340 0.000 0.000 0.207 73 L C 1.758 178.770 176.870 0.237 0.000 1.094 73 L CA 1.265 56.206 54.840 0.169 0.000 0.790 73 L CB -0.037 42.062 42.059 0.067 0.000 0.932 73 L HN 0.095 nan 8.230 nan 0.000 0.447 74 I N -0.941 119.717 120.570 0.147 0.000 2.500 74 I HA -0.169 4.002 4.170 0.000 0.000 0.252 74 I C 2.352 178.531 176.117 0.102 0.000 1.142 74 I CA 0.907 62.281 61.300 0.124 0.000 1.451 74 I CB -0.372 37.683 38.000 0.092 0.000 1.093 74 I HN 0.217 nan 8.210 nan 0.000 0.430 75 A N -0.023 122.855 122.820 0.096 0.000 2.125 75 A HA -0.115 4.205 4.320 0.000 0.000 0.219 75 A C 1.916 179.531 177.584 0.051 0.000 1.156 75 A CA 1.332 53.409 52.037 0.068 0.000 0.671 75 A CB -0.139 18.898 19.000 0.062 0.000 0.794 75 A HN 0.185 nan 8.150 nan 0.000 0.459 76 K N -0.660 119.788 120.400 0.080 0.000 2.478 76 K HA 0.450 4.770 4.320 0.000 0.000 0.205 76 K C -0.087 176.414 176.600 -0.164 0.000 1.033 76 K CA 0.490 56.781 56.287 0.007 0.000 1.091 76 K CB 0.589 33.157 32.500 0.113 0.000 0.844 76 K HN 0.398 nan 8.250 nan 0.000 0.507 77 A N 0.454 123.221 122.820 -0.088 0.000 2.354 77 A HA 0.403 4.723 4.320 0.000 0.000 0.321 77 A C 0.281 177.798 177.584 -0.112 0.000 1.125 77 A CA -0.561 51.375 52.037 -0.168 0.000 0.799 77 A CB 1.097 20.111 19.000 0.023 0.000 1.293 77 A HN -0.004 nan 8.150 nan 0.000 0.452 78 D N -0.326 119.994 120.400 -0.133 0.000 2.183 78 D HA 0.099 4.739 4.640 0.000 0.000 0.205 78 D C 0.138 176.417 176.300 -0.035 0.000 0.962 78 D CA 1.557 55.508 54.000 -0.080 0.000 0.849 78 D CB 0.371 41.115 40.800 -0.094 0.000 0.978 78 D HN 0.238 nan 8.370 nan 0.000 0.488 79 V N 1.259 121.154 119.914 -0.031 0.000 2.789 79 V HA 0.388 4.509 4.120 0.000 0.000 0.311 79 V C -0.853 175.218 176.094 -0.038 0.000 1.073 79 V CA -0.955 61.331 62.300 -0.022 0.000 0.921 79 V CB 2.845 34.657 31.823 -0.017 0.000 1.009 79 V HN -0.056 nan 8.190 nan 0.000 0.426 80 L N 5.025 126.189 121.223 -0.098 0.000 2.381 80 L HA 0.706 5.047 4.340 0.000 0.000 0.274 80 L C -0.983 175.752 176.870 -0.225 0.000 0.988 80 L CA 0.022 54.750 54.840 -0.187 0.000 0.824 80 L CB 1.523 43.374 42.059 -0.346 0.000 1.263 80 L HN 0.577 nan 8.230 nan 0.000 0.410 81 I N 4.381 124.853 120.570 -0.165 0.000 2.378 81 I HA 0.507 4.677 4.170 0.000 0.000 0.291 81 I C -0.895 175.108 176.117 -0.189 0.000 0.992 81 I CA -0.481 60.732 61.300 -0.145 0.000 1.154 81 I CB 1.777 39.730 38.000 -0.078 0.000 1.315 81 I HN 0.724 nan 8.210 nan 0.000 0.448 82 E N 4.193 124.269 120.200 -0.206 0.000 2.308 82 E HA 0.634 4.984 4.350 0.000 0.000 0.275 82 E C -0.410 176.030 176.600 -0.267 0.000 0.890 82 E CA -0.883 55.345 56.400 -0.286 0.000 0.754 82 E CB 1.797 31.387 29.700 -0.184 0.000 1.207 82 E HN 0.569 nan 8.360 nan 0.000 0.426 83 G N 2.201 110.727 108.800 -0.457 0.000 4.250 83 G HA2 0.234 4.194 3.960 0.000 0.000 0.295 83 G HA3 0.234 4.194 3.960 0.000 0.000 0.295 83 G C -0.860 173.899 174.900 -0.235 0.000 1.081 83 G CA -0.333 44.600 45.100 -0.277 0.000 0.854 83 G HN 0.395 nan 8.290 nan 0.000 0.524 84 Y N 0.224 120.542 120.300 0.031 0.000 2.340 84 Y HA 0.470 5.020 4.550 0.001 0.000 0.327 84 Y C 1.315 177.238 175.900 0.038 0.000 1.321 84 Y CA -1.100 57.020 58.100 0.034 0.000 1.433 84 Y CB 0.842 39.328 38.460 0.042 0.000 1.373 84 Y HN -0.121 nan 8.280 nan 0.000 0.538 85 R N 1.301 121.936 120.500 0.224 0.000 2.698 85 R HA 0.063 4.403 4.340 0.000 0.000 0.266 85 R C -2.486 173.898 176.300 0.140 0.000 1.026 85 R CA -1.461 54.726 56.100 0.146 0.000 1.102 85 R CB -0.344 30.027 30.300 0.118 0.000 0.978 85 R HN 0.268 nan 8.270 nan 0.000 0.436 86 P HA -0.068 nan 4.420 nan 0.000 0.264 86 P C 0.568 177.916 177.300 0.081 0.000 1.183 86 P CA 1.045 64.200 63.100 0.092 0.000 0.763 86 P CB 0.639 32.383 31.700 0.073 0.000 0.807 87 G N 0.987 109.832 108.800 0.075 0.000 2.284 87 G HA2 -0.308 3.652 3.960 0.000 0.000 0.230 87 G HA3 -0.308 3.652 3.960 0.000 0.000 0.230 87 G C 1.065 176.003 174.900 0.063 0.000 1.021 87 G CA 0.220 45.354 45.100 0.056 0.000 0.619 87 G HN 0.383 nan 8.290 nan 0.000 0.510 88 V N 2.125 122.091 119.914 0.087 0.000 2.233 88 V HA -0.185 3.935 4.120 0.000 0.000 0.247 88 V C 3.292 179.431 176.094 0.075 0.000 1.050 88 V CA 3.745 66.083 62.300 0.063 0.000 1.010 88 V CB -1.272 30.589 31.823 0.062 0.000 0.637 88 V HN 0.959 nan 8.190 nan 0.000 0.444 89 T N -1.734 112.917 114.554 0.161 0.000 2.788 89 T HA -0.228 4.122 4.350 0.000 0.000 0.268 89 T C 1.632 176.403 174.700 0.119 0.000 1.044 89 T CA 1.674 63.882 62.100 0.180 0.000 1.139 89 T CB -0.407 68.648 68.868 0.311 0.000 0.867 89 T HN 0.463 nan 8.240 nan 0.000 0.454 90 E N 1.341 121.594 120.200 0.087 0.000 2.049 90 E HA -0.096 4.254 4.350 0.000 0.000 0.198 90 E C 2.550 179.171 176.600 0.036 0.000 1.007 90 E CA 1.392 57.819 56.400 0.045 0.000 0.809 90 E CB -0.250 29.465 29.700 0.025 0.000 0.749 90 E HN 0.531 nan 8.360 nan 0.000 0.450 91 R N -0.054 120.465 120.500 0.031 0.000 2.096 91 R HA -0.045 4.296 4.340 0.000 0.000 0.235 91 R C 2.364 178.673 176.300 0.016 0.000 1.127 91 R CA 0.912 57.023 56.100 0.017 0.000 0.968 91 R CB -0.312 29.992 30.300 0.008 0.000 0.861 91 R HN 0.198 nan 8.270 nan 0.000 0.440 92 L N -0.733 120.503 121.223 0.022 0.000 2.275 92 L HA -0.029 4.311 4.340 0.000 0.000 0.215 92 L C 1.316 178.206 176.870 0.033 0.000 1.119 92 L CA 1.082 55.934 54.840 0.020 0.000 0.790 92 L CB -0.175 41.899 42.059 0.025 0.000 0.919 92 L HN 0.575 nan 8.230 nan 0.000 0.443 93 G N -0.318 108.508 108.800 0.043 0.000 2.144 93 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 93 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 93 G C 0.401 175.342 174.900 0.068 0.000 0.988 93 G CA -0.093 45.034 45.100 0.045 0.000 0.659 93 G HN 0.274 nan 8.290 nan 0.000 0.522 94 L N 1.275 122.557 121.223 0.099 0.000 3.017 94 L HA 0.451 4.791 4.340 0.000 0.000 0.255 94 L C 1.613 178.625 176.870 0.237 0.000 1.247 94 L CA -0.062 54.873 54.840 0.158 0.000 1.038 94 L CB 0.343 42.499 42.059 0.161 0.000 1.380 94 L HN 0.297 nan 8.230 nan 0.000 0.548 95 G N 0.610 109.485 108.800 0.125 0.000 2.634 95 G HA2 0.185 4.145 3.960 0.000 0.000 0.255 95 G HA3 0.185 4.145 3.960 0.000 0.000 0.255 95 G C -1.497 173.320 174.900 -0.138 0.000 1.205 95 G CA -0.737 44.372 45.100 0.016 0.000 0.884 95 G HN -0.007 nan 8.290 nan 0.000 0.549 96 P HA -0.116 nan 4.420 nan 0.000 0.216 96 P C 1.240 178.416 177.300 -0.207 0.000 1.150 96 P CA 1.249 63.957 63.100 -0.653 0.000 0.837 96 P CB 0.301 31.529 31.700 -0.787 0.000 0.786 97 E N -0.372 119.739 120.200 -0.147 0.000 2.150 97 E HA -0.162 4.189 4.350 0.000 0.000 0.193 97 E C 2.014 178.599 176.600 -0.025 0.000 0.985 97 E CA 0.805 57.164 56.400 -0.068 0.000 0.814 97 E CB -0.093 29.574 29.700 -0.055 0.000 0.752 97 E HN 0.295 nan 8.360 nan 0.000 0.466 98 E N 0.215 120.409 120.200 -0.009 0.000 2.046 98 E HA -0.121 4.229 4.350 0.000 0.000 0.190 98 E C 2.238 178.868 176.600 0.050 0.000 0.982 98 E CA 0.595 57.010 56.400 0.026 0.000 0.800 98 E CB -0.497 29.228 29.700 0.042 0.000 0.756 98 E HN 0.268 nan 8.360 nan 0.000 0.449 99 C N 1.050 120.402 119.300 0.086 0.000 2.422 99 C HA -0.039 4.421 4.460 0.000 0.000 0.279 99 C C 2.819 177.859 174.990 0.085 0.000 1.305 99 C CA 0.676 59.769 59.018 0.125 0.000 1.757 99 C CB -1.044 26.848 27.740 0.253 0.000 1.962 99 C HN 0.468 nan 8.230 nan 0.000 0.499 100 A N 0.990 123.841 122.820 0.052 0.000 1.908 100 A HA -0.226 4.094 4.320 0.000 0.000 0.218 100 A C 2.134 179.733 177.584 0.026 0.000 1.181 100 A CA 1.703 53.759 52.037 0.032 0.000 0.627 100 A CB -0.481 18.523 19.000 0.007 0.000 0.818 100 A HN 0.711 nan 8.150 nan 0.000 0.445 101 K N -0.334 120.080 120.400 0.023 0.000 2.152 101 K HA -0.131 4.190 4.320 0.000 0.000 0.206 101 K C 1.742 178.356 176.600 0.024 0.000 1.048 101 K CA 1.720 58.018 56.287 0.019 0.000 0.933 101 K CB -0.414 32.097 32.500 0.018 0.000 0.721 101 K HN 0.620 nan 8.250 nan 0.000 0.447 102 V N -2.716 117.219 119.914 0.035 0.000 3.307 102 V HA 0.127 4.247 4.120 0.000 0.000 0.253 102 V C 0.318 176.433 176.094 0.034 0.000 1.149 102 V CA 0.231 62.552 62.300 0.036 0.000 1.112 102 V CB -0.211 31.639 31.823 0.046 0.000 0.777 102 V HN 0.271 nan 8.190 nan 0.000 0.464 103 N N 1.150 119.873 118.700 0.038 0.000 2.932 103 N HA 0.115 4.855 4.740 0.000 0.000 0.242 103 N C -0.426 175.104 175.510 0.033 0.000 1.351 103 N CA 0.379 53.448 53.050 0.032 0.000 0.785 103 N CB 1.012 39.523 38.487 0.039 0.000 1.501 103 N HN 0.415 nan 8.380 nan 0.000 0.584 104 D N 1.783 122.195 120.400 0.019 0.000 2.336 104 D HA -0.022 4.618 4.640 0.000 0.000 0.229 104 D C 0.878 177.186 176.300 0.013 0.000 1.061 104 D CA 0.344 54.354 54.000 0.017 0.000 0.875 104 D CB 0.179 40.983 40.800 0.007 0.000 0.904 104 D HN 0.468 nan 8.370 nan 0.000 0.525 105 R N -0.693 119.813 120.500 0.010 0.000 2.334 105 R HA 0.237 4.577 4.340 0.000 0.000 0.212 105 R C 0.147 176.454 176.300 0.011 0.000 0.897 105 R CA -0.666 55.434 56.100 0.000 0.000 1.056 105 R CB 0.288 30.577 30.300 -0.018 0.000 1.046 105 R HN 0.109 nan 8.270 nan 0.000 0.513 106 L N 2.407 123.650 121.223 0.034 0.000 2.513 106 L HA 0.054 4.394 4.340 0.000 0.000 0.272 106 L C -0.227 176.689 176.870 0.076 0.000 1.187 106 L CA 0.412 55.285 54.840 0.054 0.000 0.895 106 L CB 0.419 42.534 42.059 0.094 0.000 1.147 106 L HN -0.011 nan 8.230 nan 0.000 0.483 107 I N 6.633 127.237 120.570 0.057 0.000 2.308 107 I HA 0.027 4.197 4.170 0.000 0.000 0.293 107 I C -0.430 175.744 176.117 0.095 0.000 1.078 107 I CA -0.030 61.314 61.300 0.074 0.000 1.292 107 I CB -0.494 37.533 38.000 0.044 0.000 1.423 107 I HN 0.571 nan 8.210 nan 0.000 0.493 108 Y N 5.835 126.147 120.300 0.019 0.000 2.454 108 Y HA 0.561 5.111 4.550 0.000 0.000 0.345 108 Y C 0.217 176.129 175.900 0.021 0.000 0.970 108 Y CA -0.655 57.458 58.100 0.022 0.000 1.204 108 Y CB 0.933 39.407 38.460 0.024 0.000 1.122 108 Y HN 0.660 nan 8.280 nan 0.000 0.514 109 A N 7.726 130.565 122.820 0.033 0.000 2.256 109 A HA 0.580 4.901 4.320 0.000 0.000 0.317 109 A C -0.696 176.908 177.584 0.033 0.000 1.318 109 A CA -0.880 51.188 52.037 0.052 0.000 0.894 109 A CB 0.320 19.325 19.000 0.007 0.000 1.165 109 A HN 0.849 nan 8.150 nan 0.000 0.525 110 R N 2.421 122.983 120.500 0.103 0.000 2.265 110 R HA 0.442 4.782 4.340 0.000 0.000 0.328 110 R C -1.010 175.306 176.300 0.027 0.000 0.969 110 R CA -0.594 55.561 56.100 0.092 0.000 0.832 110 R CB 1.499 31.896 30.300 0.162 0.000 1.139 110 R HN 0.663 nan 8.270 nan 0.000 0.457 111 M N 3.181 122.770 119.600 -0.018 0.000 2.047 111 M HA 0.203 4.684 4.480 0.000 0.000 0.342 111 M C -0.697 175.554 176.300 -0.082 0.000 1.058 111 M CA -0.092 55.181 55.300 -0.046 0.000 0.991 111 M CB 1.242 33.813 32.600 -0.048 0.000 1.474 111 M HN 0.735 nan 8.290 nan 0.000 0.419 112 T N 0.710 115.192 114.554 -0.120 0.000 2.838 112 T HA 0.777 5.128 4.350 0.000 0.000 0.292 112 T C 0.587 175.039 174.700 -0.414 0.000 1.113 112 T CA -0.430 61.557 62.100 -0.189 0.000 1.008 112 T CB 1.329 70.139 68.868 -0.097 0.000 1.259 112 T HN 0.515 nan 8.240 nan 0.000 0.520 113 G N -0.929 107.428 108.800 -0.739 0.000 2.437 113 G HA2 0.082 4.042 3.960 0.000 0.000 0.212 113 G HA3 0.082 4.042 3.960 0.000 0.000 0.212 113 G C 0.766 175.019 174.900 -1.077 0.000 1.174 113 G CA -0.326 43.730 45.100 -1.741 0.000 0.811 113 G HN 0.816 nan 8.290 nan 0.000 0.537 114 W N 0.667 121.739 121.300 -0.380 0.000 3.077 114 W HA 0.429 5.089 4.660 0.000 0.000 0.266 114 W C 1.411 177.868 176.519 -0.104 0.000 1.300 114 W CA 0.201 57.465 57.345 -0.135 0.000 1.586 114 W CB 0.555 30.015 29.460 0.000 0.000 1.103 114 W HN 0.541 nan 8.180 nan 0.000 0.652 115 G N 0.235 109.078 108.800 0.072 0.000 2.566 115 G HA2 -0.232 3.728 3.960 0.000 0.000 0.599 115 G HA3 -0.232 3.728 3.960 0.000 0.000 0.599 115 G C 0.227 175.162 174.900 0.060 0.000 1.292 115 G CA -0.333 44.792 45.100 0.042 0.000 0.922 115 G HN -0.028 nan 8.290 nan 0.000 0.514 116 Q N -0.459 119.366 119.800 0.040 0.000 2.269 116 Q HA 0.133 4.473 4.340 0.000 0.000 0.201 116 Q C 1.799 177.821 176.000 0.038 0.000 0.946 116 Q CA 2.017 57.844 55.803 0.041 0.000 0.877 116 Q CB 0.121 28.875 28.738 0.027 0.000 0.963 116 Q HN 1.206 nan 8.270 nan 0.000 0.472 117 T N -3.685 110.888 114.554 0.031 0.000 2.864 117 T HA 0.741 5.091 4.350 0.000 0.000 0.289 117 T C 0.125 174.833 174.700 0.013 0.000 1.082 117 T CA -0.247 61.864 62.100 0.019 0.000 1.009 117 T CB 2.491 71.362 68.868 0.006 0.000 1.234 117 T HN 0.326 nan 8.240 nan 0.000 0.526 118 G N 1.018 109.814 108.800 -0.007 0.000 2.515 118 G HA2 0.122 4.082 3.960 0.000 0.000 0.686 118 G HA3 0.122 4.082 3.960 0.000 0.000 0.686 118 G C -2.160 172.706 174.900 -0.057 0.000 1.274 118 G CA -0.277 44.804 45.100 -0.031 0.000 0.874 118 G HN 0.702 nan 8.290 nan 0.000 0.631 119 P HA -0.073 nan 4.420 nan 0.000 0.221 119 P C 1.298 178.501 177.300 -0.162 0.000 1.145 119 P CA 1.073 64.108 63.100 -0.108 0.000 0.795 119 P CB 0.084 31.715 31.700 -0.115 0.000 0.775 120 R N -0.299 120.046 120.500 -0.258 0.000 2.362 120 R HA 0.115 4.455 4.340 0.000 0.000 0.227 120 R C 2.328 178.525 176.300 -0.172 0.000 0.905 120 R CA 0.535 56.380 56.100 -0.425 0.000 1.067 120 R CB -0.239 29.392 30.300 -1.116 0.000 1.078 120 R HN 0.236 nan 8.270 nan 0.000 0.516 121 S N 0.694 116.383 115.700 -0.018 0.000 2.419 121 S HA -0.154 4.316 4.470 0.000 0.000 0.235 121 S C 1.587 176.272 174.600 0.141 0.000 1.019 121 S CA 0.912 59.183 58.200 0.117 0.000 0.982 121 S CB 0.053 63.298 63.200 0.075 0.000 0.789 121 S HN 0.199 nan 8.310 nan 0.000 0.490 122 Q N 0.772 120.625 119.800 0.088 0.000 2.280 122 Q HA 0.288 4.628 4.340 0.000 0.000 0.201 122 Q C 0.252 176.323 176.000 0.119 0.000 0.890 122 Q CA 0.078 55.937 55.803 0.094 0.000 0.947 122 Q CB 0.238 29.008 28.738 0.053 0.000 1.081 122 Q HN 0.815 nan 8.270 nan 0.000 0.502 123 Q N 0.172 120.076 119.800 0.172 0.000 2.241 123 Q HA 0.523 4.863 4.340 0.000 0.000 0.254 123 Q C -0.785 175.391 176.000 0.293 0.000 0.917 123 Q CA -0.365 55.550 55.803 0.186 0.000 0.919 123 Q CB 1.316 30.124 28.738 0.117 0.000 1.237 123 Q HN 0.181 nan 8.270 nan 0.000 0.434 124 A N 2.537 125.469 122.820 0.185 0.000 2.507 124 A HA 0.546 4.867 4.320 0.000 0.000 0.235 124 A C 0.347 178.022 177.584 0.153 0.000 1.070 124 A CA 0.826 52.941 52.037 0.130 0.000 0.768 124 A CB 0.023 19.069 19.000 0.077 0.000 1.011 124 A HN 0.902 nan 8.150 nan 0.000 0.502 125 G N 0.247 109.021 108.800 -0.043 0.000 2.506 125 G HA2 0.570 4.530 3.960 0.000 0.000 0.292 125 G HA3 0.570 4.530 3.960 0.000 0.000 0.292 125 G C -1.338 173.178 174.900 -0.641 0.000 1.425 125 G CA -0.667 44.285 45.100 -0.247 0.000 0.788 125 G HN 0.873 nan 8.290 nan 0.000 0.490 126 H N -0.884 117.834 119.070 -0.588 0.000 2.941 126 H HA 0.342 4.898 4.556 0.000 0.000 0.344 126 H C 0.501 175.402 175.328 -0.712 0.000 1.235 126 H CA -0.293 55.494 56.048 -0.435 0.000 1.149 126 H CB 2.515 32.153 29.762 -0.208 0.000 1.885 126 H HN 0.648 nan 8.280 nan 0.000 0.558 127 D N 0.841 121.132 120.400 -0.182 0.000 2.133 127 D HA -0.168 4.472 4.640 0.000 0.000 0.192 127 D C 1.807 177.989 176.300 -0.197 0.000 1.001 127 D CA 1.306 55.228 54.000 -0.130 0.000 0.844 127 D CB 0.155 40.905 40.800 -0.082 0.000 0.944 127 D HN 0.509 nan 8.370 nan 0.000 0.447 128 I N 0.276 120.754 120.570 -0.154 0.000 2.361 128 I HA -0.297 3.873 4.170 0.000 0.000 0.251 128 I C 1.618 177.663 176.117 -0.119 0.000 1.133 128 I CA 1.206 62.449 61.300 -0.096 0.000 1.413 128 I CB -0.155 37.810 38.000 -0.058 0.000 1.073 128 I HN 0.030 nan 8.210 nan 0.000 0.424 129 N N -0.241 118.303 118.700 -0.260 0.000 2.106 129 N HA -0.221 4.519 4.740 0.000 0.000 0.188 129 N C 1.618 177.038 175.510 -0.150 0.000 1.029 129 N CA 1.604 54.535 53.050 -0.199 0.000 0.848 129 N CB -0.313 38.029 38.487 -0.240 0.000 1.007 129 N HN 0.302 nan 8.380 nan 0.000 0.423 130 Y N 1.278 121.417 120.300 -0.269 0.000 2.181 130 Y HA -0.036 4.515 4.550 0.000 0.000 0.288 130 Y C 2.039 177.901 175.900 -0.064 0.000 1.146 130 Y CA 0.391 58.249 58.100 -0.403 0.000 1.164 130 Y CB -0.893 37.250 38.460 -0.528 0.000 0.982 130 Y HN 0.179 nan 8.280 nan 0.000 0.515 131 I N -1.601 119.020 120.570 0.085 0.000 3.564 131 I HA 0.031 4.202 4.170 0.000 0.000 0.294 131 I C 1.876 178.063 176.117 0.116 0.000 1.289 131 I CA 1.020 62.379 61.300 0.098 0.000 1.325 131 I CB -0.450 37.587 38.000 0.062 0.000 1.039 131 I HN 0.149 nan 8.210 nan 0.000 0.474 132 S N 1.249 117.026 115.700 0.128 0.000 2.446 132 S HA 0.004 4.475 4.470 0.000 0.000 0.225 132 S C 1.765 176.472 174.600 0.179 0.000 1.016 132 S CA 0.246 58.530 58.200 0.141 0.000 0.943 132 S CB -0.369 62.903 63.200 0.120 0.000 0.786 132 S HN 0.470 nan 8.310 nan 0.000 0.508 133 L N 2.841 124.213 121.223 0.247 0.000 2.509 133 L HA 0.336 4.676 4.340 0.000 0.000 0.222 133 L C 1.356 178.353 176.870 0.211 0.000 1.123 133 L CA 0.890 55.876 54.840 0.244 0.000 0.856 133 L CB -0.380 41.901 42.059 0.370 0.000 0.985 133 L HN 0.720 nan 8.230 nan 0.000 0.456 134 N N -2.810 116.020 118.700 0.217 0.000 2.238 134 N HA 0.226 4.966 4.740 0.000 0.000 0.235 134 N C 1.106 176.771 175.510 0.259 0.000 1.209 134 N CA 0.540 53.735 53.050 0.242 0.000 0.879 134 N CB 0.803 39.427 38.487 0.228 0.000 1.136 134 N HN 0.069 nan 8.380 nan 0.000 0.517 135 G N 1.402 110.302 108.800 0.167 0.000 2.234 135 G HA2 -0.298 3.662 3.960 0.000 0.000 0.235 135 G HA3 -0.298 3.662 3.960 0.000 0.000 0.235 135 G C 0.727 175.673 174.900 0.077 0.000 0.997 135 G CA 0.350 45.499 45.100 0.082 0.000 0.623 135 G HN 0.296 nan 8.290 nan 0.000 0.514 136 I N 0.198 120.825 120.570 0.095 0.000 2.133 136 I HA -0.088 4.082 4.170 0.000 0.000 0.238 136 I C 2.623 178.791 176.117 0.086 0.000 1.074 136 I CA 1.696 63.036 61.300 0.067 0.000 1.342 136 I CB -0.363 37.678 38.000 0.069 0.000 1.053 136 I HN 0.284 nan 8.210 nan 0.000 0.404 137 L N 0.364 121.645 121.223 0.097 0.000 2.079 137 L HA -0.288 4.052 4.340 0.000 0.000 0.210 137 L C 2.644 179.571 176.870 0.096 0.000 1.081 137 L CA 1.969 56.857 54.840 0.081 0.000 0.752 137 L CB -1.014 41.087 42.059 0.070 0.000 0.896 137 L HN 0.332 nan 8.230 nan 0.000 0.433 138 H N -0.333 118.759 119.070 0.037 0.000 2.456 138 H HA -0.036 4.520 4.556 0.000 0.000 0.296 138 H C 1.698 177.049 175.328 0.038 0.000 1.079 138 H CA 1.243 57.311 56.048 0.033 0.000 1.322 138 H CB 0.293 30.076 29.762 0.034 0.000 1.388 138 H HN 0.487 nan 8.280 nan 0.000 0.538 139 A N 0.492 123.427 122.820 0.191 0.000 2.238 139 A HA 0.213 4.533 4.320 0.000 0.000 0.208 139 A C 0.843 178.494 177.584 0.113 0.000 1.177 139 A CA -0.114 52.032 52.037 0.181 0.000 0.804 139 A CB -0.114 19.005 19.000 0.199 0.000 0.823 139 A HN 0.247 nan 8.150 nan 0.000 0.482 140 I N -0.325 120.276 120.570 0.051 0.000 2.378 140 I HA 0.600 4.771 4.170 0.000 0.000 0.291 140 I C 0.598 176.711 176.117 -0.007 0.000 0.992 140 I CA 0.114 61.434 61.300 0.033 0.000 1.154 140 I CB 1.720 39.739 38.000 0.032 0.000 1.315 140 I HN 0.336 nan 8.210 nan 0.000 0.448 141 G N 5.216 114.009 108.800 -0.012 0.000 2.371 141 G HA2 -0.034 3.926 3.960 0.000 0.000 0.663 141 G HA3 -0.034 3.926 3.960 0.000 0.000 0.663 141 G C -1.074 173.796 174.900 -0.051 0.000 1.311 141 G CA -1.143 43.934 45.100 -0.039 0.000 0.985 141 G HN 0.457 nan 8.290 nan 0.000 0.566 142 R N -0.089 120.374 120.500 -0.062 0.000 2.582 142 R HA 0.456 4.796 4.340 0.000 0.000 0.271 142 R C 1.708 177.969 176.300 -0.065 0.000 1.078 142 R CA 0.167 56.227 56.100 -0.066 0.000 1.127 142 R CB 0.695 30.954 30.300 -0.069 0.000 1.038 142 R HN 1.017 nan 8.270 nan 0.000 0.500 143 G N 0.957 109.721 108.800 -0.061 0.000 2.572 143 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 143 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 143 G C 0.650 175.519 174.900 -0.051 0.000 1.133 143 G CA 0.366 45.431 45.100 -0.059 0.000 0.791 143 G HN 0.674 nan 8.290 nan 0.000 0.538 144 D N -0.252 120.121 120.400 -0.045 0.000 2.349 144 D HA 0.105 4.745 4.640 0.000 0.000 0.224 144 D C 0.602 176.879 176.300 -0.037 0.000 1.029 144 D CA 0.111 54.090 54.000 -0.036 0.000 0.879 144 D CB 0.252 41.034 40.800 -0.030 0.000 0.906 144 D HN 0.364 nan 8.370 nan 0.000 0.528 145 E N -0.354 119.818 120.200 -0.047 0.000 2.429 145 E HA 0.311 4.661 4.350 0.000 0.000 0.276 145 E C -0.414 176.151 176.600 -0.058 0.000 0.953 145 E CA -1.212 55.161 56.400 -0.046 0.000 0.787 145 E CB 2.257 31.931 29.700 -0.043 0.000 1.307 145 E HN 0.081 nan 8.360 nan 0.000 0.458 146 R N 0.672 121.143 120.500 -0.049 0.000 2.784 146 R HA 0.266 4.607 4.340 0.000 0.000 0.266 146 R C -2.304 173.958 176.300 -0.064 0.000 1.044 146 R CA -1.234 54.831 56.100 -0.057 0.000 1.151 146 R CB -0.600 29.678 30.300 -0.036 0.000 1.037 146 R HN 0.081 nan 8.270 nan 0.000 0.478 147 P HA -0.077 nan 4.420 nan 0.000 0.265 147 P C -0.682 176.595 177.300 -0.038 0.000 1.187 147 P CA -0.215 62.845 63.100 -0.068 0.000 0.766 147 P CB 0.660 32.320 31.700 -0.067 0.000 0.820 148 V N 5.080 124.976 119.914 -0.031 0.000 2.483 148 V HA 0.434 4.554 4.120 0.000 0.000 0.295 148 V C -2.252 173.836 176.094 -0.009 0.000 1.035 148 V CA -2.646 59.641 62.300 -0.022 0.000 0.896 148 V CB 1.493 33.300 31.823 -0.028 0.000 0.986 148 V HN 0.479 nan 8.190 nan 0.000 0.447 149 P HA 0.279 nan 4.420 nan 0.000 0.276 149 P C -2.593 174.713 177.300 0.011 0.000 1.235 149 P CA -1.679 61.423 63.100 0.003 0.000 0.772 149 P CB 0.119 31.817 31.700 -0.003 0.000 0.871 150 P HA 0.067 nan 4.420 nan 0.000 0.225 150 P C 0.530 177.861 177.300 0.051 0.000 1.768 150 P CA 0.007 63.127 63.100 0.034 0.000 0.943 150 P CB -0.438 31.286 31.700 0.040 0.000 1.936 151 L N -0.874 120.378 121.223 0.049 0.000 6.449 151 L HA -0.330 4.010 4.340 0.000 0.000 0.053 151 L C 1.117 178.014 176.870 0.045 0.000 1.704 151 L CA 1.714 56.591 54.840 0.061 0.000 1.776 151 L CB -1.543 40.580 42.059 0.106 0.000 2.612 151 L HN 0.342 nan 8.230 nan 0.000 1.004 152 N N 0.315 119.053 118.700 0.062 0.000 2.546 152 N HA 0.262 5.002 4.740 0.000 0.000 0.286 152 N C 0.582 176.091 175.510 -0.001 0.000 1.259 152 N CA -0.075 52.965 53.050 -0.016 0.000 0.939 152 N CB 0.206 38.635 38.487 -0.097 0.000 1.243 152 N HN 0.620 nan 8.380 nan 0.000 0.511 153 L N -0.638 120.654 121.223 0.114 0.000 2.240 153 L HA 0.054 4.394 4.340 0.000 0.000 0.211 153 L C 1.700 178.648 176.870 0.130 0.000 1.106 153 L CA 0.562 55.524 54.840 0.203 0.000 0.793 153 L CB 0.162 42.324 42.059 0.173 0.000 0.927 153 L HN 0.061 nan 8.230 nan 0.000 0.446 154 V N -1.038 118.913 119.914 0.061 0.000 2.575 154 V HA 0.065 4.185 4.120 0.000 0.000 0.242 154 V C 2.304 178.415 176.094 0.027 0.000 1.045 154 V CA 1.500 63.835 62.300 0.059 0.000 1.065 154 V CB -0.352 31.503 31.823 0.053 0.000 0.717 154 V HN 0.456 nan 8.190 nan 0.000 0.467 155 G N -0.479 108.307 108.800 -0.023 0.000 2.471 155 G HA2 -0.118 3.843 3.960 0.000 0.000 0.211 155 G HA3 -0.118 3.843 3.960 0.000 0.000 0.211 155 G C 1.164 175.985 174.900 -0.132 0.000 1.194 155 G CA 0.653 45.729 45.100 -0.039 0.000 0.816 155 G HN 0.419 nan 8.290 nan 0.000 0.545 156 D N 0.102 120.312 120.400 -0.317 0.000 2.117 156 D HA -0.019 4.621 4.640 0.000 0.000 0.197 156 D C 1.989 177.945 176.300 -0.574 0.000 0.987 156 D CA 0.951 54.570 54.000 -0.636 0.000 0.829 156 D CB -0.060 40.005 40.800 -1.225 0.000 0.961 156 D HN 0.327 nan 8.370 nan 0.000 0.460 157 F N -0.281 119.670 119.950 0.002 0.000 2.534 157 F HA 0.294 4.821 4.527 0.000 0.000 0.274 157 F C 2.567 178.429 175.800 0.103 0.000 0.917 157 F CA 0.352 58.352 58.000 -0.001 0.000 1.145 157 F CB -1.165 37.720 39.000 -0.190 0.000 1.145 157 F HN -0.094 nan 8.300 nan 0.000 0.746 158 G N -0.234 108.725 108.800 0.265 0.000 2.469 158 G HA2 -0.116 3.844 3.960 0.000 0.000 0.219 158 G HA3 -0.116 3.844 3.960 0.000 0.000 0.219 158 G C 1.706 176.786 174.900 0.300 0.000 1.150 158 G CA 1.116 46.355 45.100 0.232 0.000 0.763 158 G HN 0.561 nan 8.290 nan 0.000 0.561 159 G N -0.843 108.092 108.800 0.224 0.000 3.277 159 G HA2 0.485 4.445 3.960 0.000 0.000 0.243 159 G HA3 0.485 4.445 3.960 0.000 0.000 0.243 159 G C 0.783 175.754 174.900 0.119 0.000 1.107 159 G CA 0.999 46.212 45.100 0.190 0.000 0.771 159 G HN 0.675 nan 8.290 nan 0.000 0.544 160 G N 0.762 109.664 108.800 0.170 0.000 2.542 160 G HA2 0.204 4.164 3.960 0.000 0.000 0.208 160 G HA3 0.204 4.164 3.960 0.000 0.000 0.208 160 G C 1.877 176.884 174.900 0.179 0.000 1.976 160 G CA 1.118 46.271 45.100 0.088 0.000 0.722 160 G HN 0.415 nan 8.290 nan 0.000 0.798 161 S N 0.514 116.348 115.700 0.224 0.000 2.383 161 S HA -0.155 4.315 4.470 0.000 0.000 0.229 161 S C 2.383 177.112 174.600 0.216 0.000 1.030 161 S CA 1.914 60.272 58.200 0.264 0.000 1.002 161 S CB -0.363 63.136 63.200 0.498 0.000 0.829 161 S HN 0.141 nan 8.310 nan 0.000 0.467 162 M N 0.576 120.318 119.600 0.237 0.000 2.117 162 M HA 0.123 4.603 4.480 0.000 0.000 0.262 162 M C 1.925 178.216 176.300 -0.014 0.000 1.065 162 M CA 1.131 56.491 55.300 0.101 0.000 1.114 162 M CB -1.666 30.981 32.600 0.078 0.000 1.361 162 M HN 0.331 nan 8.290 nan 0.000 0.408 163 F N -0.012 119.970 119.950 0.053 0.000 2.206 163 F HA -0.155 4.373 4.527 0.000 0.000 0.298 163 F C 2.232 178.048 175.800 0.026 0.000 1.090 163 F CA 0.658 58.676 58.000 0.030 0.000 1.323 163 F CB -0.673 38.336 39.000 0.016 0.000 1.028 163 F HN 0.040 nan 8.300 nan 0.000 0.492 164 L N -0.040 121.295 121.223 0.185 0.000 2.042 164 L HA -0.206 4.135 4.340 0.000 0.000 0.210 164 L C 2.083 178.994 176.870 0.068 0.000 1.076 164 L CA 1.701 56.606 54.840 0.108 0.000 0.749 164 L CB -0.722 41.386 42.059 0.083 0.000 0.893 164 L HN 0.115 nan 8.230 nan 0.000 0.432 165 L N -1.986 119.267 121.223 0.049 0.000 2.017 165 L HA -0.226 4.114 4.340 0.000 0.000 0.208 165 L C 2.405 179.274 176.870 -0.003 0.000 1.073 165 L CA 1.213 56.061 54.840 0.014 0.000 0.745 165 L CB -0.577 41.482 42.059 -0.000 0.000 0.894 165 L HN 0.091 nan 8.230 nan 0.000 0.432 166 V N 0.046 119.938 119.914 -0.037 0.000 2.343 166 V HA -0.231 3.889 4.120 0.000 0.000 0.247 166 V C 2.604 178.702 176.094 0.008 0.000 1.051 166 V CA 1.954 64.222 62.300 -0.054 0.000 1.036 166 V CB -1.349 30.383 31.823 -0.152 0.000 0.654 166 V HN 0.597 nan 8.190 nan 0.000 0.451 167 G N 0.093 108.921 108.800 0.048 0.000 2.459 167 G HA2 -0.266 3.695 3.960 0.000 0.000 0.217 167 G HA3 -0.266 3.695 3.960 0.000 0.000 0.217 167 G C 1.582 176.519 174.900 0.062 0.000 1.183 167 G CA 1.293 46.436 45.100 0.071 0.000 0.776 167 G HN 0.478 nan 8.290 nan 0.000 0.552 168 I N 0.383 120.982 120.570 0.049 0.000 2.127 168 I HA -0.183 3.988 4.170 0.000 0.000 0.241 168 I C 2.737 178.883 176.117 0.048 0.000 1.075 168 I CA 0.997 62.323 61.300 0.042 0.000 1.334 168 I CB -0.203 37.812 38.000 0.026 0.000 1.040 168 I HN 0.122 nan 8.210 nan 0.000 0.405 169 L N -0.018 121.229 121.223 0.041 0.000 2.156 169 L HA -0.104 4.236 4.340 0.000 0.000 0.208 169 L C 2.739 179.666 176.870 0.096 0.000 1.095 169 L CA 1.045 55.917 54.840 0.052 0.000 0.770 169 L CB -0.719 41.357 42.059 0.028 0.000 0.914 169 L HN 0.213 nan 8.230 nan 0.000 0.439 170 A N 0.241 123.109 122.820 0.081 0.000 1.902 170 A HA -0.153 4.167 4.320 0.000 0.000 0.217 170 A C 2.526 180.229 177.584 0.197 0.000 1.181 170 A CA 1.750 53.861 52.037 0.123 0.000 0.623 170 A CB -0.663 18.380 19.000 0.071 0.000 0.818 170 A HN 0.378 nan 8.150 nan 0.000 0.443 171 A N -0.442 122.456 122.820 0.130 0.000 1.968 171 A HA 0.062 4.382 4.320 0.000 0.000 0.217 171 A C 2.120 179.761 177.584 0.095 0.000 1.169 171 A CA 1.249 53.350 52.037 0.108 0.000 0.638 171 A CB -0.524 18.523 19.000 0.078 0.000 0.812 171 A HN 0.460 nan 8.150 nan 0.000 0.446 172 L N -1.179 120.103 121.223 0.098 0.000 2.083 172 L HA -0.210 4.130 4.340 0.000 0.000 0.209 172 L C 2.633 179.566 176.870 0.106 0.000 1.083 172 L CA 1.509 56.394 54.840 0.076 0.000 0.752 172 L CB -0.483 41.614 42.059 0.063 0.000 0.899 172 L HN 0.845 nan 8.230 nan 0.000 0.433 173 W N 1.353 122.648 121.300 -0.009 0.000 2.355 173 W HA -0.210 4.450 4.660 0.000 0.000 0.309 173 W C 2.190 178.706 176.519 -0.005 0.000 1.206 173 W CA 1.617 58.958 57.345 -0.007 0.000 1.284 173 W CB -0.188 29.270 29.460 -0.003 0.000 1.145 173 W HN 0.219 nan 8.180 nan 0.000 0.502 174 E N 1.290 121.478 120.200 -0.021 0.000 2.153 174 E HA -0.264 4.086 4.350 0.000 0.000 0.194 174 E C 2.259 178.763 176.600 -0.160 0.000 0.988 174 E CA 1.227 57.551 56.400 -0.127 0.000 0.811 174 E CB -0.471 29.261 29.700 0.053 0.000 0.746 174 E HN 0.329 nan 8.360 nan 0.000 0.466 175 R N 0.270 120.714 120.500 -0.094 0.000 2.152 175 R HA -0.139 4.201 4.340 0.000 0.000 0.232 175 R C 2.400 178.622 176.300 -0.130 0.000 1.117 175 R CA 1.468 57.518 56.100 -0.084 0.000 0.981 175 R CB 0.031 30.305 30.300 -0.043 0.000 0.870 175 R HN 0.248 nan 8.270 nan 0.000 0.451 176 Q N -0.413 119.268 119.800 -0.198 0.000 2.112 176 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 176 Q C 2.086 177.959 176.000 -0.212 0.000 0.987 176 Q CA 2.304 57.976 55.803 -0.218 0.000 0.858 176 Q CB -0.027 28.517 28.738 -0.323 0.000 0.905 176 Q HN 0.439 nan 8.270 nan 0.000 0.420 177 S N -0.395 115.151 115.700 -0.257 0.000 2.456 177 S HA -0.018 4.452 4.470 0.000 0.000 0.224 177 S C 2.075 176.599 174.600 -0.128 0.000 1.035 177 S CA 0.541 58.623 58.200 -0.197 0.000 0.940 177 S CB -0.019 63.041 63.200 -0.233 0.000 0.799 177 S HN 0.362 nan 8.310 nan 0.000 0.508 178 S N 1.083 116.713 115.700 -0.116 0.000 2.446 178 S HA 0.363 4.834 4.470 0.000 0.000 0.225 178 S C 1.906 176.470 174.600 -0.060 0.000 1.016 178 S CA 0.783 58.939 58.200 -0.073 0.000 0.943 178 S CB -0.945 62.221 63.200 -0.056 0.000 0.786 178 S HN 1.478 nan 8.310 nan 0.000 0.508 179 G N 0.876 109.635 108.800 -0.069 0.000 2.184 179 G HA2 -0.261 3.699 3.960 0.000 0.000 0.264 179 G HA3 -0.261 3.699 3.960 0.000 0.000 0.264 179 G C -0.028 174.848 174.900 -0.040 0.000 0.975 179 G CA 0.660 45.727 45.100 -0.055 0.000 0.642 179 G HN 0.648 nan 8.290 nan 0.000 0.536 180 K N -0.488 119.891 120.400 -0.035 0.000 2.443 180 K HA 0.625 4.945 4.320 0.000 0.000 0.251 180 K C 0.765 177.359 176.600 -0.010 0.000 0.972 180 K CA -0.396 55.880 56.287 -0.019 0.000 0.833 180 K CB 1.924 34.415 32.500 -0.015 0.000 1.317 180 K HN 0.233 nan 8.250 nan 0.000 0.441 181 G N 0.241 109.044 108.800 0.005 0.000 2.543 181 G HA2 0.504 4.464 3.960 0.000 0.000 0.267 181 G HA3 0.504 4.464 3.960 0.000 0.000 0.267 181 G C -0.872 174.045 174.900 0.029 0.000 1.406 181 G CA -0.032 45.081 45.100 0.022 0.000 1.048 181 G HN 0.654 nan 8.290 nan 0.000 0.548 182 Q N -3.247 116.583 119.800 0.049 0.000 2.919 182 Q HA 0.432 4.772 4.340 0.000 0.000 0.323 182 Q C -2.012 174.035 176.000 0.078 0.000 0.829 182 Q CA -0.896 54.935 55.803 0.047 0.000 0.803 182 Q CB 1.152 29.912 28.738 0.036 0.000 1.423 182 Q HN 0.445 nan 8.270 nan 0.000 0.478 183 V N 1.345 121.295 119.914 0.060 0.000 2.407 183 V HA 0.427 4.547 4.120 0.000 0.000 0.278 183 V C -0.356 175.790 176.094 0.085 0.000 1.037 183 V CA -0.637 61.715 62.300 0.087 0.000 0.900 183 V CB 1.386 33.217 31.823 0.014 0.000 0.983 183 V HN 0.517 nan 8.190 nan 0.000 0.459 184 V N 3.881 123.864 119.914 0.114 0.000 2.350 184 V HA 0.319 4.439 4.120 0.000 0.000 0.276 184 V C -0.189 175.956 176.094 0.086 0.000 1.028 184 V CA -0.399 61.955 62.300 0.090 0.000 0.860 184 V CB 1.567 33.442 31.823 0.087 0.000 0.990 184 V HN 0.947 nan 8.190 nan 0.000 0.453 185 D N 4.848 125.285 120.400 0.061 0.000 2.473 185 D HA 0.507 5.148 4.640 0.000 0.000 0.226 185 D C -0.031 176.286 176.300 0.027 0.000 1.089 185 D CA -0.249 53.778 54.000 0.044 0.000 0.883 185 D CB 1.323 42.141 40.800 0.030 0.000 1.029 185 D HN 0.659 nan 8.370 nan 0.000 0.517 186 A N 3.144 125.977 122.820 0.022 0.000 2.322 186 A HA 0.691 5.011 4.320 0.000 0.000 0.327 186 A C -0.034 177.514 177.584 -0.060 0.000 1.394 186 A CA -0.624 51.416 52.037 0.006 0.000 0.921 186 A CB 0.546 19.578 19.000 0.054 0.000 1.153 186 A HN 0.618 nan 8.150 nan 0.000 0.523 187 A N 3.211 125.971 122.820 -0.101 0.000 2.274 187 A HA 0.558 4.878 4.320 0.000 0.000 0.309 187 A C 1.053 178.491 177.584 -0.242 0.000 1.226 187 A CA -0.592 51.339 52.037 -0.176 0.000 0.853 187 A CB 0.121 19.052 19.000 -0.115 0.000 1.146 187 A HN 0.889 nan 8.150 nan 0.000 0.518 188 M N 2.496 121.879 119.600 -0.362 0.000 2.106 188 M HA -0.170 4.310 4.480 0.000 0.000 0.259 188 M C 1.981 178.135 176.300 -0.244 0.000 1.068 188 M CA 1.808 56.908 55.300 -0.332 0.000 1.100 188 M CB -0.432 31.894 32.600 -0.457 0.000 1.351 188 M HN 0.642 nan 8.290 nan 0.000 0.404 189 V N 0.655 120.425 119.914 -0.241 0.000 2.392 189 V HA -0.284 3.836 4.120 0.000 0.000 0.249 189 V C 1.626 177.678 176.094 -0.069 0.000 1.059 189 V CA 2.192 64.462 62.300 -0.050 0.000 1.051 189 V CB -0.408 31.500 31.823 0.141 0.000 0.658 189 V HN 0.429 nan 8.190 nan 0.000 0.455 190 D N 0.104 120.419 120.400 -0.142 0.000 2.106 190 D HA -0.014 4.626 4.640 0.000 0.000 0.203 190 D C 2.119 178.196 176.300 -0.372 0.000 0.977 190 D CA 1.517 55.398 54.000 -0.199 0.000 0.844 190 D CB -0.966 39.723 40.800 -0.184 0.000 1.002 190 D HN 0.492 nan 8.370 nan 0.000 0.461 191 G N 0.967 109.436 108.800 -0.551 0.000 2.513 191 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 191 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 191 G C 1.752 176.245 174.900 -0.679 0.000 1.160 191 G CA 2.164 46.574 45.100 -1.151 0.000 0.767 191 G HN 0.422 nan 8.290 nan 0.000 0.571 192 S N 0.313 115.855 115.700 -0.263 0.000 2.402 192 S HA -0.063 4.407 4.470 0.000 0.000 0.229 192 S C 2.433 177.033 174.600 -0.001 0.000 1.021 192 S CA 1.665 59.829 58.200 -0.061 0.000 0.974 192 S CB -0.383 62.815 63.200 -0.004 0.000 0.800 192 S HN 0.260 nan 8.310 nan 0.000 0.484 193 S N 1.708 117.394 115.700 -0.025 0.000 2.359 193 S HA -0.057 4.413 4.470 0.000 0.000 0.224 193 S C 1.974 176.600 174.600 0.043 0.000 1.035 193 S CA 1.459 59.699 58.200 0.067 0.000 1.018 193 S CB -0.677 62.503 63.200 -0.033 0.000 0.876 193 S HN 0.455 nan 8.310 nan 0.000 0.448 194 V N 1.667 121.524 119.914 -0.095 0.000 2.427 194 V HA -0.090 4.031 4.120 0.000 0.000 0.248 194 V C 2.203 178.393 176.094 0.159 0.000 1.051 194 V CA 1.125 63.429 62.300 0.008 0.000 1.048 194 V CB -0.687 31.119 31.823 -0.028 0.000 0.666 194 V HN 0.304 nan 8.190 nan 0.000 0.456 195 L N -0.406 120.920 121.223 0.171 0.000 2.129 195 L HA -0.107 4.233 4.340 0.000 0.000 0.212 195 L C 1.821 178.766 176.870 0.125 0.000 1.087 195 L CA 1.936 56.909 54.840 0.221 0.000 0.757 195 L CB -0.278 41.915 42.059 0.223 0.000 0.896 195 L HN 0.324 nan 8.230 nan 0.000 0.434 196 I N -1.126 119.514 120.570 0.116 0.000 3.889 196 I HA 0.000 4.170 4.170 0.000 0.000 0.332 196 I C 1.724 177.923 176.117 0.136 0.000 1.493 196 I CA -0.010 61.324 61.300 0.058 0.000 1.158 196 I CB -0.198 37.807 38.000 0.007 0.000 1.117 196 I HN 0.333 nan 8.210 nan 0.000 0.411 197 Q N 0.897 120.807 119.800 0.182 0.000 2.181 197 Q HA -0.256 4.084 4.340 0.000 0.000 0.205 197 Q C 1.943 178.019 176.000 0.127 0.000 0.980 197 Q CA 1.829 57.763 55.803 0.220 0.000 0.862 197 Q CB -0.074 28.741 28.738 0.129 0.000 0.905 197 Q HN 0.649 nan 8.270 nan 0.000 0.429 198 M N -0.633 118.977 119.600 0.017 0.000 2.117 198 M HA -0.223 4.257 4.480 0.000 0.000 0.262 198 M C 1.824 178.033 176.300 -0.152 0.000 1.065 198 M CA 1.422 56.690 55.300 -0.053 0.000 1.114 198 M CB 0.063 32.611 32.600 -0.086 0.000 1.361 198 M HN 0.194 nan 8.290 nan 0.000 0.408 199 M N -1.062 118.340 119.600 -0.331 0.000 2.175 199 M HA -0.143 4.337 4.480 0.000 0.000 0.264 199 M C 1.456 177.537 176.300 -0.365 0.000 1.063 199 M CA 2.011 56.945 55.300 -0.610 0.000 1.119 199 M CB -0.757 31.232 32.600 -1.018 0.000 1.377 199 M HN 0.360 nan 8.290 nan 0.000 0.415 200 W N -0.146 121.073 121.300 -0.134 0.000 2.338 200 W HA -0.154 4.506 4.660 0.000 0.000 0.304 200 W C 2.586 179.091 176.519 -0.023 0.000 1.212 200 W CA 1.291 58.604 57.345 -0.053 0.000 1.264 200 W CB -0.725 28.710 29.460 -0.041 0.000 1.142 200 W HN 0.236 nan 8.180 nan 0.000 0.512 201 A N 0.027 122.964 122.820 0.194 0.000 1.865 201 A HA -0.248 4.072 4.320 0.000 0.000 0.217 201 A C 1.939 179.578 177.584 0.093 0.000 1.191 201 A CA 2.080 54.188 52.037 0.118 0.000 0.623 201 A CB -0.936 18.110 19.000 0.076 0.000 0.826 201 A HN 0.273 nan 8.150 nan 0.000 0.444 202 M N -1.637 118.001 119.600 0.062 0.000 2.159 202 M HA -0.142 4.338 4.480 0.000 0.000 0.263 202 M C 2.398 178.784 176.300 0.144 0.000 1.063 202 M CA 1.689 57.052 55.300 0.104 0.000 1.110 202 M CB -0.308 32.371 32.600 0.132 0.000 1.374 202 M HN 0.458 nan 8.290 nan 0.000 0.411 203 R N 0.445 121.022 120.500 0.129 0.000 2.105 203 R HA -0.135 4.205 4.340 0.000 0.000 0.239 203 R C 2.084 178.455 176.300 0.118 0.000 1.135 203 R CA 1.621 57.802 56.100 0.135 0.000 0.967 203 R CB -0.232 30.113 30.300 0.075 0.000 0.861 203 R HN 0.377 nan 8.270 nan 0.000 0.442 204 A N -0.356 122.538 122.820 0.123 0.000 2.067 204 A HA -0.097 4.223 4.320 0.000 0.000 0.219 204 A C 1.670 179.300 177.584 0.076 0.000 1.158 204 A CA 1.686 53.784 52.037 0.102 0.000 0.661 204 A CB -0.254 18.807 19.000 0.102 0.000 0.801 204 A HN 0.547 nan 8.150 nan 0.000 0.452 205 T N -5.583 109.017 114.554 0.077 0.000 3.132 205 T HA 0.456 4.807 4.350 0.000 0.000 0.274 205 T C 1.148 175.880 174.700 0.054 0.000 1.011 205 T CA 0.893 63.029 62.100 0.059 0.000 0.899 205 T CB 0.223 69.124 68.868 0.056 0.000 1.089 205 T HN 1.585 nan 8.240 nan 0.000 0.543 206 G N 1.880 110.716 108.800 0.060 0.000 2.159 206 G HA2 -0.286 3.675 3.960 0.000 0.000 0.256 206 G HA3 -0.286 3.675 3.960 0.000 0.000 0.256 206 G C 0.618 175.546 174.900 0.047 0.000 0.977 206 G CA 0.448 45.572 45.100 0.041 0.000 0.652 206 G HN 0.543 nan 8.290 nan 0.000 0.531 207 M N -0.968 118.687 119.600 0.092 0.000 2.428 207 M HA 0.334 4.815 4.480 0.000 0.000 0.239 207 M C 0.465 176.898 176.300 0.222 0.000 1.121 207 M CA 0.182 55.554 55.300 0.120 0.000 1.019 207 M CB 0.458 33.136 32.600 0.130 0.000 1.485 207 M HN 0.357 nan 8.290 nan 0.000 0.484 208 W N 0.891 122.176 121.300 -0.025 0.000 3.274 208 W HA 0.344 5.004 4.660 0.000 0.000 0.327 208 W C -1.227 175.263 176.519 -0.048 0.000 1.172 208 W CA -0.554 56.766 57.345 -0.042 0.000 1.217 208 W CB 1.697 31.116 29.460 -0.069 0.000 1.376 208 W HN -0.076 nan 8.180 nan 0.000 0.507 209 T N 0.148 114.451 114.554 -0.418 0.000 2.932 209 T HA 0.270 4.620 4.350 0.000 0.000 0.289 209 T C 0.164 174.784 174.700 -0.134 0.000 1.039 209 T CA -0.472 61.512 62.100 -0.194 0.000 1.024 209 T CB 2.034 70.781 68.868 -0.200 0.000 1.090 209 T HN 0.263 nan 8.240 nan 0.000 0.496 210 D N 1.020 121.407 120.400 -0.021 0.000 2.363 210 D HA 0.097 4.737 4.640 0.000 0.000 0.226 210 D C 0.387 176.727 176.300 0.067 0.000 1.020 210 D CA 0.493 54.513 54.000 0.033 0.000 0.892 210 D CB -0.320 40.473 40.800 -0.011 0.000 0.900 210 D HN 0.594 nan 8.370 nan 0.000 0.531 211 T N 1.356 115.897 114.554 -0.022 0.000 2.799 211 T HA 0.059 4.409 4.350 0.000 0.000 0.296 211 T C 0.613 175.289 174.700 -0.040 0.000 0.947 211 T CA -0.385 61.704 62.100 -0.017 0.000 1.141 211 T CB 1.181 70.013 68.868 -0.061 0.000 0.891 211 T HN 0.041 nan 8.240 nan 0.000 0.533 212 R N 2.288 122.783 120.500 -0.008 0.000 2.438 212 R HA 0.393 4.733 4.340 0.000 0.000 0.287 212 R C 1.197 177.460 176.300 -0.062 0.000 1.077 212 R CA 0.791 56.871 56.100 -0.033 0.000 1.034 212 R CB -0.042 30.200 30.300 -0.097 0.000 0.993 212 R HN 0.931 nan 8.270 nan 0.000 0.459 213 G N 2.120 110.882 108.800 -0.062 0.000 2.160 213 G HA2 -0.292 3.668 3.960 0.000 0.000 0.251 213 G HA3 -0.292 3.668 3.960 0.000 0.000 0.251 213 G C 0.167 175.014 174.900 -0.087 0.000 1.008 213 G CA 0.288 45.345 45.100 -0.071 0.000 0.724 213 G HN 0.856 nan 8.290 nan 0.000 0.514 214 A N -0.573 122.169 122.820 -0.131 0.000 2.585 214 A HA 0.579 4.899 4.320 0.000 0.000 0.281 214 A C 0.497 177.976 177.584 -0.175 0.000 0.945 214 A CA -0.021 51.959 52.037 -0.096 0.000 1.031 214 A CB 0.363 19.314 19.000 -0.081 0.000 1.221 214 A HN 0.302 nan 8.150 nan 0.000 0.496 215 N N -0.974 117.533 118.700 -0.323 0.000 2.619 215 N HA 0.321 5.061 4.740 0.000 0.000 0.294 215 N C 0.846 176.203 175.510 -0.255 0.000 1.279 215 N CA -0.639 52.084 53.050 -0.546 0.000 0.867 215 N CB 1.086 38.603 38.487 -1.616 0.000 1.329 215 N HN 0.258 nan 8.380 nan 0.000 0.557 216 M N 0.303 119.810 119.600 -0.155 0.000 2.213 216 M HA 0.010 4.490 4.480 0.000 0.000 0.263 216 M C 0.523 176.734 176.300 -0.148 0.000 1.062 216 M CA 1.781 57.060 55.300 -0.035 0.000 1.105 216 M CB 0.125 32.791 32.600 0.110 0.000 1.385 216 M HN 0.398 nan 8.290 nan 0.000 0.417 217 L N -0.430 120.795 121.223 0.003 0.000 3.016 217 L HA 0.159 4.499 4.340 0.000 0.000 0.267 217 L C 0.379 177.341 176.870 0.153 0.000 1.182 217 L CA -0.306 54.452 54.840 -0.136 0.000 0.997 217 L CB 0.146 42.138 42.059 -0.112 0.000 1.354 217 L HN 0.257 nan 8.230 nan 0.000 0.569 218 D N -1.087 119.415 120.400 0.170 0.000 2.431 218 D HA 0.204 4.844 4.640 0.000 0.000 0.213 218 D C 1.330 177.660 176.300 0.051 0.000 1.130 218 D CA 0.629 54.725 54.000 0.161 0.000 0.834 218 D CB 0.932 41.848 40.800 0.193 0.000 0.985 218 D HN 0.153 nan 8.370 nan 0.000 0.504 219 G N -0.241 108.569 108.800 0.015 0.000 2.352 219 G HA2 -0.224 3.736 3.960 0.000 0.000 0.204 219 G HA3 -0.224 3.736 3.960 0.000 0.000 0.204 219 G C 1.362 176.158 174.900 -0.174 0.000 1.004 219 G CA 0.137 45.189 45.100 -0.081 0.000 0.648 219 G HN 0.571 nan 8.290 nan 0.000 0.491 220 G N 1.028 109.724 108.800 -0.174 0.000 2.432 220 G HA2 0.366 4.326 3.960 0.000 0.000 0.219 220 G HA3 0.366 4.326 3.960 0.000 0.000 0.219 220 G C 0.989 175.597 174.900 -0.487 0.000 1.135 220 G CA 1.720 46.712 45.100 -0.181 0.000 0.767 220 G HN 1.756 nan 8.290 nan 0.000 0.550 221 A N 0.483 122.847 122.820 -0.760 0.000 2.320 221 A HA 0.622 4.943 4.320 0.000 0.000 0.287 221 A C -1.120 175.807 177.584 -1.094 0.000 1.181 221 A CA -1.255 49.828 52.037 -1.589 0.000 0.831 221 A CB 1.283 19.410 19.000 -1.454 0.000 1.102 221 A HN 0.054 nan 8.150 nan 0.000 0.513 222 P HA -0.127 nan 4.420 nan 0.000 0.225 222 P C 0.429 177.689 177.300 -0.067 0.000 1.148 222 P CA 1.287 64.174 63.100 -0.353 0.000 0.779 222 P CB -0.111 31.483 31.700 -0.177 0.000 0.780 223 Y N -4.421 115.840 120.300 -0.064 0.000 2.461 223 Y HA 0.349 4.899 4.550 0.000 0.000 0.277 223 Y C 0.149 176.128 175.900 0.132 0.000 1.182 223 Y CA -0.994 57.175 58.100 0.116 0.000 1.276 223 Y CB -0.917 37.656 38.460 0.189 0.000 1.087 223 Y HN -0.125 nan 8.280 nan 0.000 0.519 224 Y N 1.654 121.824 120.300 -0.215 0.000 2.544 224 Y HA 0.503 5.054 4.550 0.000 0.000 0.347 224 Y C -1.418 174.382 175.900 -0.165 0.000 1.089 224 Y CA -1.107 56.928 58.100 -0.109 0.000 1.230 224 Y CB 0.315 38.712 38.460 -0.104 0.000 1.101 224 Y HN 0.224 nan 8.280 nan 0.000 0.641 225 D N 0.724 121.013 120.400 -0.184 0.000 2.742 225 D HA 0.201 4.841 4.640 0.000 0.000 0.262 225 D C -0.823 175.313 176.300 -0.273 0.000 1.240 225 D CA -0.150 53.709 54.000 -0.236 0.000 0.752 225 D CB 1.663 42.277 40.800 -0.310 0.000 1.290 225 D HN 0.278 nan 8.370 nan 0.000 0.420 226 T N -1.019 113.339 114.554 -0.326 0.000 2.899 226 T HA 0.678 5.028 4.350 0.000 0.000 0.284 226 T C -0.494 173.916 174.700 -0.483 0.000 1.004 226 T CA -0.109 61.812 62.100 -0.298 0.000 1.043 226 T CB 0.719 69.421 68.868 -0.277 0.000 1.013 226 T HN 0.277 nan 8.240 nan 0.000 0.518 227 Y N -0.539 119.639 120.300 -0.204 0.000 2.477 227 Y HA 0.463 5.013 4.550 0.000 0.000 0.347 227 Y C 0.267 176.196 175.900 0.048 0.000 0.981 227 Y CA -1.117 56.902 58.100 -0.136 0.000 1.033 227 Y CB 2.067 40.290 38.460 -0.395 0.000 1.245 227 Y HN 0.851 nan 8.280 nan 0.000 0.455 228 E N 1.903 122.270 120.200 0.278 0.000 2.331 228 E HA 0.471 4.821 4.350 0.000 0.000 0.272 228 E C -0.902 175.794 176.600 0.161 0.000 1.036 228 E CA -0.283 56.232 56.400 0.191 0.000 0.864 228 E CB 0.699 30.499 29.700 0.167 0.000 1.035 228 E HN 0.707 nan 8.360 nan 0.000 0.408 229 C N 2.106 121.454 119.300 0.081 0.000 2.484 229 C HA 0.524 4.984 4.460 0.000 0.000 0.409 229 C C 1.717 176.790 174.990 0.138 0.000 1.434 229 C CA -0.056 59.103 59.018 0.235 0.000 1.913 229 C CB 0.835 28.762 27.740 0.313 0.000 2.028 229 C HN 0.983 nan 8.230 nan 0.000 0.516 230 A N 0.808 123.731 122.820 0.172 0.000 2.070 230 A HA -0.130 4.191 4.320 0.000 0.000 0.220 230 A C 1.474 179.070 177.584 0.021 0.000 1.159 230 A CA 2.145 54.229 52.037 0.078 0.000 0.656 230 A CB -0.519 18.510 19.000 0.049 0.000 0.800 230 A HN 0.949 nan 8.150 nan 0.000 0.453 231 D N -2.190 118.216 120.400 0.009 0.000 2.328 231 D HA 0.259 4.899 4.640 0.000 0.000 0.221 231 D C 1.152 177.406 176.300 -0.077 0.000 1.072 231 D CA 0.763 54.746 54.000 -0.029 0.000 0.850 231 D CB -0.613 40.173 40.800 -0.023 0.000 0.922 231 D HN 0.699 nan 8.370 nan 0.000 0.516 232 G N 0.513 109.244 108.800 -0.115 0.000 2.162 232 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 232 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 232 G C 0.420 175.032 174.900 -0.480 0.000 0.976 232 G CA 0.156 45.126 45.100 -0.217 0.000 0.655 232 G HN 0.460 nan 8.290 nan 0.000 0.533 233 R N -1.244 119.004 120.500 -0.419 0.000 2.541 233 R HA 0.708 5.048 4.340 0.000 0.000 0.254 233 R C -0.384 175.502 176.300 -0.689 0.000 1.130 233 R CA -0.458 55.321 56.100 -0.534 0.000 1.152 233 R CB 0.498 30.693 30.300 -0.174 0.000 1.222 233 R HN 0.272 nan 8.270 nan 0.000 0.579 234 Y N -0.930 119.375 120.300 0.010 0.000 2.545 234 Y HA 0.439 4.989 4.550 0.000 0.000 0.348 234 Y C -0.192 175.682 175.900 -0.043 0.000 1.002 234 Y CA -1.252 56.834 58.100 -0.022 0.000 1.039 234 Y CB 1.549 39.966 38.460 -0.071 0.000 1.271 234 Y HN 0.222 nan 8.280 nan 0.000 0.467 235 V N -0.723 119.213 119.914 0.037 0.000 2.881 235 V HA 0.995 5.115 4.120 0.000 0.000 0.316 235 V C -0.259 175.737 176.094 -0.163 0.000 1.070 235 V CA -1.280 60.964 62.300 -0.093 0.000 0.976 235 V CB 1.424 33.085 31.823 -0.269 0.000 1.038 235 V HN 0.953 nan 8.190 nan 0.000 0.446 236 A N 2.432 125.147 122.820 -0.174 0.000 2.288 236 A HA 0.783 5.103 4.320 0.000 0.000 0.320 236 A C -0.487 176.948 177.584 -0.247 0.000 1.217 236 A CA -0.588 51.323 52.037 -0.209 0.000 0.840 236 A CB 1.036 19.920 19.000 -0.193 0.000 1.179 236 A HN 1.108 nan 8.150 nan 0.000 0.504 237 V N 2.310 122.088 119.914 -0.227 0.000 2.398 237 V HA 0.613 4.733 4.120 0.000 0.000 0.286 237 V C 0.969 176.951 176.094 -0.187 0.000 1.026 237 V CA 0.369 62.564 62.300 -0.175 0.000 0.868 237 V CB 1.576 33.365 31.823 -0.056 0.000 0.982 237 V HN 1.119 nan 8.190 nan 0.000 0.443 238 G N 3.155 111.877 108.800 -0.130 0.000 4.432 238 G HA2 0.465 4.426 3.960 0.000 0.000 0.294 238 G HA3 0.465 4.426 3.960 0.000 0.000 0.294 238 G C 0.331 175.365 174.900 0.224 0.000 1.141 238 G CA 0.401 45.464 45.100 -0.062 0.000 0.895 238 G HN 0.897 nan 8.290 nan 0.000 0.548 239 A N 0.784 123.773 122.820 0.282 0.000 3.015 239 A HA 0.598 4.918 4.320 0.000 0.000 0.293 239 A C 1.180 178.926 177.584 0.270 0.000 1.572 239 A CA -0.419 51.807 52.037 0.314 0.000 1.274 239 A CB -0.294 18.865 19.000 0.266 0.000 1.156 239 A HN 0.358 nan 8.150 nan 0.000 0.562 240 I N -0.016 120.724 120.570 0.283 0.000 2.235 240 I HA -0.078 4.092 4.170 0.000 0.000 0.241 240 I C 0.743 176.793 176.117 -0.112 0.000 1.085 240 I CA 0.623 61.974 61.300 0.085 0.000 1.378 240 I CB -0.068 38.079 38.000 0.245 0.000 1.076 240 I HN 0.472 nan 8.210 nan 0.000 0.415 241 E N 2.045 122.229 120.200 -0.026 0.000 2.392 241 E HA -0.004 4.346 4.350 0.000 0.000 0.264 241 E C -1.576 174.889 176.600 -0.225 0.000 1.024 241 E CA -1.162 55.098 56.400 -0.232 0.000 0.903 241 E CB 0.124 29.487 29.700 -0.563 0.000 0.963 241 E HN 0.075 nan 8.360 nan 0.000 0.432 242 P HA -0.246 nan 4.420 nan 0.000 0.216 242 P C 1.025 178.305 177.300 -0.032 0.000 1.150 242 P CA 1.316 64.364 63.100 -0.087 0.000 0.837 242 P CB 0.249 31.897 31.700 -0.086 0.000 0.786 243 Q N -0.803 118.893 119.800 -0.174 0.000 2.172 243 Q HA -0.121 4.220 4.340 0.000 0.000 0.200 243 Q C 1.861 177.907 176.000 0.075 0.000 0.964 243 Q CA 1.383 57.129 55.803 -0.096 0.000 0.855 243 Q CB -1.160 27.480 28.738 -0.163 0.000 0.918 243 Q HN 0.177 nan 8.270 nan 0.000 0.444 244 F N 0.420 120.402 119.950 0.054 0.000 2.187 244 F HA -0.013 4.514 4.527 0.000 0.000 0.295 244 F C 2.430 178.263 175.800 0.055 0.000 1.091 244 F CA -0.029 58.000 58.000 0.048 0.000 1.308 244 F CB -1.517 37.510 39.000 0.044 0.000 1.030 244 F HN 0.044 nan 8.300 nan 0.000 0.487 245 Y N 1.255 121.621 120.300 0.110 0.000 2.114 245 Y HA -0.261 4.289 4.550 0.000 0.000 0.282 245 Y C 2.493 178.417 175.900 0.040 0.000 1.165 245 Y CA 1.692 59.810 58.100 0.030 0.000 1.148 245 Y CB -0.741 37.675 38.460 -0.074 0.000 0.972 245 Y HN 0.001 nan 8.280 nan 0.000 0.504 246 A N 0.474 123.339 122.820 0.075 0.000 1.892 246 A HA -0.256 4.064 4.320 0.000 0.000 0.218 246 A C 2.442 180.018 177.584 -0.013 0.000 1.188 246 A CA 2.497 54.536 52.037 0.004 0.000 0.631 246 A CB -1.633 17.401 19.000 0.057 0.000 0.822 246 A HN 0.664 nan 8.150 nan 0.000 0.447 247 A N -1.255 121.602 122.820 0.062 0.000 1.930 247 A HA -0.088 4.232 4.320 0.000 0.000 0.217 247 A C 2.207 179.868 177.584 0.127 0.000 1.175 247 A CA 1.870 53.970 52.037 0.104 0.000 0.627 247 A CB -0.505 18.591 19.000 0.160 0.000 0.815 247 A HN 0.533 nan 8.150 nan 0.000 0.443 248 M N -0.037 119.582 119.600 0.032 0.000 2.080 248 M HA -0.119 4.361 4.480 0.000 0.000 0.260 248 M C 1.981 178.252 176.300 -0.049 0.000 1.068 248 M CA 1.775 57.053 55.300 -0.036 0.000 1.109 248 M CB -0.776 31.694 32.600 -0.216 0.000 1.342 248 M HN 0.446 nan 8.290 nan 0.000 0.405 249 L N -0.106 120.980 121.223 -0.228 0.000 2.141 249 L HA -0.156 4.184 4.340 0.000 0.000 0.209 249 L C 2.682 179.501 176.870 -0.085 0.000 1.094 249 L CA 1.049 55.756 54.840 -0.222 0.000 0.763 249 L CB -1.022 40.870 42.059 -0.278 0.000 0.908 249 L HN 0.349 nan 8.230 nan 0.000 0.437 250 A N 0.422 123.224 122.820 -0.031 0.000 1.902 250 A HA -0.105 4.216 4.320 0.000 0.000 0.217 250 A C 2.406 179.989 177.584 -0.003 0.000 1.181 250 A CA 1.677 53.711 52.037 -0.006 0.000 0.623 250 A CB -1.137 17.869 19.000 0.011 0.000 0.818 250 A HN 0.426 nan 8.150 nan 0.000 0.443 251 G N -0.351 108.479 108.800 0.049 0.000 2.408 251 G HA2 -0.095 3.865 3.960 0.000 0.000 0.217 251 G HA3 -0.095 3.865 3.960 0.000 0.000 0.217 251 G C 1.437 176.307 174.900 -0.049 0.000 1.150 251 G CA 0.891 45.917 45.100 -0.124 0.000 0.776 251 G HN 0.435 nan 8.290 nan 0.000 0.542 252 L N 0.409 121.649 121.223 0.029 0.000 2.465 252 L HA 0.171 4.511 4.340 0.000 0.000 0.224 252 L C 2.079 178.928 176.870 -0.035 0.000 1.145 252 L CA 0.475 55.256 54.840 -0.098 0.000 0.834 252 L CB -0.301 41.548 42.059 -0.350 0.000 0.944 252 L HN 0.380 nan 8.230 nan 0.000 0.451 253 G N 0.910 109.695 108.800 -0.025 0.000 2.176 253 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 253 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 253 G C 0.051 174.935 174.900 -0.027 0.000 1.024 253 G CA -0.096 44.996 45.100 -0.013 0.000 0.755 253 G HN 0.248 nan 8.290 nan 0.000 0.507 254 L N 0.352 121.541 121.223 -0.057 0.000 2.307 254 L HA 0.420 4.760 4.340 0.000 0.000 0.282 254 L C 0.187 177.036 176.870 -0.035 0.000 1.051 254 L CA -1.011 53.797 54.840 -0.053 0.000 0.804 254 L CB 1.286 43.292 42.059 -0.088 0.000 1.197 254 L HN 0.083 nan 8.230 nan 0.000 0.431 255 D N 2.056 122.447 120.400 -0.015 0.000 2.339 255 D HA 0.180 4.820 4.640 0.000 0.000 0.256 255 D C 0.780 177.086 176.300 0.010 0.000 1.214 255 D CA 0.005 54.004 54.000 -0.002 0.000 0.877 255 D CB 1.955 42.758 40.800 0.005 0.000 1.111 255 D HN 0.621 nan 8.370 nan 0.000 0.478 256 A N 4.136 126.965 122.820 0.015 0.000 1.978 256 A HA -0.096 4.224 4.320 0.000 0.000 0.220 256 A C 2.053 179.670 177.584 0.054 0.000 1.170 256 A CA 1.755 53.819 52.037 0.045 0.000 0.636 256 A CB -0.436 18.597 19.000 0.056 0.000 0.810 256 A HN 0.648 nan 8.150 nan 0.000 0.448 257 A N -0.650 122.192 122.820 0.037 0.000 2.067 257 A HA -0.079 4.241 4.320 0.000 0.000 0.219 257 A C 1.759 179.364 177.584 0.035 0.000 1.158 257 A CA 1.372 53.430 52.037 0.034 0.000 0.661 257 A CB -0.232 18.782 19.000 0.024 0.000 0.801 257 A HN 0.487 nan 8.150 nan 0.000 0.452 258 E N -0.619 119.601 120.200 0.033 0.000 2.474 258 E HA 0.183 4.533 4.350 0.000 0.000 0.194 258 E C 0.105 176.732 176.600 0.045 0.000 1.041 258 E CA 0.076 56.495 56.400 0.032 0.000 0.874 258 E CB 0.111 29.824 29.700 0.023 0.000 0.914 258 E HN 0.542 nan 8.360 nan 0.000 0.498 259 L N 1.491 122.751 121.223 0.061 0.000 2.332 259 L HA 0.400 4.740 4.340 0.000 0.000 0.269 259 L C -2.198 174.733 176.870 0.102 0.000 1.016 259 L CA -2.128 52.764 54.840 0.088 0.000 0.809 259 L CB 0.729 42.855 42.059 0.113 0.000 1.280 259 L HN -0.236 nan 8.230 nan 0.000 0.447 260 P HA 0.237 nan 4.420 nan 0.000 0.274 260 P C -2.517 174.867 177.300 0.140 0.000 1.237 260 P CA -1.136 62.034 63.100 0.118 0.000 0.793 260 P CB -0.316 31.469 31.700 0.141 0.000 0.977 261 P HA -0.005 nan 4.420 nan 0.000 0.268 261 P C 0.921 178.285 177.300 0.106 0.000 1.208 261 P CA -0.026 63.126 63.100 0.086 0.000 0.777 261 P CB 0.386 32.109 31.700 0.037 0.000 0.875 262 Q N 1.671 121.465 119.800 -0.010 0.000 2.135 262 Q HA -0.193 4.148 4.340 0.000 0.000 0.204 262 Q C 0.444 176.582 176.000 0.230 0.000 0.981 262 Q CA 1.435 57.128 55.803 -0.182 0.000 0.856 262 Q CB -0.045 28.198 28.738 -0.825 0.000 0.902 262 Q HN 0.391 nan 8.270 nan 0.000 0.425 263 N N 1.121 119.898 118.700 0.129 0.000 2.282 263 N HA 0.016 4.756 4.740 0.000 0.000 0.240 263 N C -1.149 174.296 175.510 -0.108 0.000 1.182 263 N CA 0.026 53.168 53.050 0.153 0.000 0.874 263 N CB 0.553 39.092 38.487 0.086 0.000 1.126 263 N HN 0.157 nan 8.380 nan 0.000 0.516 264 D N 0.890 121.234 120.400 -0.093 0.000 2.422 264 D HA 0.133 4.773 4.640 0.000 0.000 0.227 264 D C 1.121 177.141 176.300 -0.466 0.000 1.190 264 D CA -0.156 53.722 54.000 -0.202 0.000 0.905 264 D CB 0.540 41.299 40.800 -0.069 0.000 1.034 264 D HN 0.015 nan 8.370 nan 0.000 0.507 265 R N 2.534 122.581 120.500 -0.756 0.000 2.148 265 R HA -0.035 4.305 4.340 0.000 0.000 0.227 265 R C 1.978 178.006 176.300 -0.454 0.000 1.103 265 R CA 1.136 56.560 56.100 -1.127 0.000 0.983 265 R CB 0.045 29.649 30.300 -1.160 0.000 0.874 265 R HN 0.447 nan 8.270 nan 0.000 0.451 266 A N 0.984 123.644 122.820 -0.266 0.000 2.019 266 A HA -0.129 4.192 4.320 0.000 0.000 0.219 266 A C 1.704 179.268 177.584 -0.034 0.000 1.164 266 A CA 1.155 53.122 52.037 -0.117 0.000 0.644 266 A CB -0.115 18.830 19.000 -0.092 0.000 0.805 266 A HN 0.204 nan 8.150 nan 0.000 0.449 267 R N -2.341 118.152 120.500 -0.012 0.000 2.468 267 R HA 0.049 4.389 4.340 0.000 0.000 0.280 267 R C 0.929 177.364 176.300 0.226 0.000 0.963 267 R CA -0.387 55.765 56.100 0.087 0.000 1.083 267 R CB 0.026 30.371 30.300 0.075 0.000 1.200 267 R HN 0.600 nan 8.270 nan 0.000 0.541 268 W N 1.847 123.159 121.300 0.020 0.000 2.321 268 W HA -0.052 4.608 4.660 0.000 0.000 0.306 268 W C -0.931 175.608 176.519 0.034 0.000 1.217 268 W CA 0.911 58.272 57.345 0.026 0.000 1.257 268 W CB -1.618 27.839 29.460 -0.004 0.000 1.145 268 W HN 0.064 nan 8.180 nan 0.000 0.509 269 P HA -0.174 nan 4.420 nan 0.000 0.218 269 P C 1.434 178.807 177.300 0.121 0.000 1.149 269 P CA 2.052 65.235 63.100 0.138 0.000 0.817 269 P CB -0.119 31.640 31.700 0.099 0.000 0.785 270 E N -0.405 119.872 120.200 0.128 0.000 2.047 270 E HA -0.181 4.169 4.350 0.000 0.000 0.191 270 E C 1.836 178.512 176.600 0.127 0.000 0.987 270 E CA 0.764 57.230 56.400 0.110 0.000 0.799 270 E CB -0.523 29.236 29.700 0.099 0.000 0.752 270 E HN 0.005 nan 8.360 nan 0.000 0.449 271 L N 1.461 122.785 121.223 0.169 0.000 2.046 271 L HA -0.134 4.206 4.340 0.000 0.000 0.208 271 L C 2.472 179.436 176.870 0.155 0.000 1.077 271 L CA 1.794 56.740 54.840 0.178 0.000 0.747 271 L CB -0.462 41.745 42.059 0.248 0.000 0.896 271 L HN 0.021 nan 8.230 nan 0.000 0.432 272 R N -0.745 119.844 120.500 0.148 0.000 2.115 272 R HA -0.110 4.230 4.340 0.000 0.000 0.230 272 R C 2.122 178.535 176.300 0.189 0.000 1.111 272 R CA 1.162 57.370 56.100 0.181 0.000 0.976 272 R CB -0.279 30.081 30.300 0.099 0.000 0.870 272 R HN 0.521 nan 8.270 nan 0.000 0.445 273 A N 0.886 123.784 122.820 0.131 0.000 1.930 273 A HA -0.109 4.211 4.320 0.000 0.000 0.217 273 A C 2.121 179.763 177.584 0.098 0.000 1.175 273 A CA 0.993 53.096 52.037 0.110 0.000 0.627 273 A CB -0.397 18.652 19.000 0.082 0.000 0.815 273 A HN 0.305 nan 8.150 nan 0.000 0.443 274 L N -0.575 120.697 121.223 0.082 0.000 2.027 274 L HA -0.166 4.175 4.340 0.000 0.000 0.206 274 L C 2.549 179.418 176.870 -0.002 0.000 1.074 274 L CA 1.064 55.929 54.840 0.042 0.000 0.745 274 L CB -0.524 41.559 42.059 0.040 0.000 0.898 274 L HN 0.367 nan 8.230 nan 0.000 0.433 275 L N -0.962 120.264 121.223 0.005 0.000 2.046 275 L HA -0.193 4.147 4.340 0.000 0.000 0.208 275 L C 2.612 179.452 176.870 -0.050 0.000 1.077 275 L CA 1.483 56.242 54.840 -0.136 0.000 0.747 275 L CB -1.006 40.947 42.059 -0.177 0.000 0.896 275 L HN 0.280 nan 8.230 nan 0.000 0.432 276 T N -0.968 113.721 114.554 0.224 0.000 2.788 276 T HA -0.241 4.109 4.350 0.000 0.000 0.268 276 T C 1.773 176.588 174.700 0.192 0.000 1.044 276 T CA 1.555 63.863 62.100 0.347 0.000 1.139 276 T CB -0.122 68.928 68.868 0.304 0.000 0.867 276 T HN 0.388 nan 8.240 nan 0.000 0.454 277 E N 0.850 121.112 120.200 0.102 0.000 2.077 277 E HA -0.109 4.241 4.350 0.000 0.000 0.193 277 E C 2.384 179.011 176.600 0.044 0.000 0.989 277 E CA 0.980 57.421 56.400 0.068 0.000 0.800 277 E CB -0.205 29.520 29.700 0.042 0.000 0.746 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 A N 0.588 123.372 122.820 -0.059 0.000 1.845 278 A HA -0.167 4.153 4.320 0.000 0.000 0.215 278 A C 1.918 179.428 177.584 -0.124 0.000 1.195 278 A CA 1.463 53.401 52.037 -0.166 0.000 0.616 278 A CB -1.071 17.670 19.000 -0.432 0.000 0.832 278 A HN 0.368 nan 8.150 nan 0.000 0.443 279 F N 0.258 120.102 119.950 -0.178 0.000 2.250 279 F HA -0.084 4.443 4.527 0.000 0.000 0.301 279 F C 2.636 178.600 175.800 0.275 0.000 1.077 279 F CA 0.753 58.666 58.000 -0.145 0.000 1.348 279 F CB -0.469 38.350 39.000 -0.302 0.000 1.040 279 F HN 0.257 nan 8.300 nan 0.000 0.509 280 A N -0.657 122.371 122.820 0.347 0.000 2.167 280 A HA -0.062 4.258 4.320 0.000 0.000 0.214 280 A C 2.214 179.926 177.584 0.214 0.000 1.151 280 A CA 1.176 53.373 52.037 0.266 0.000 0.735 280 A CB -0.893 18.211 19.000 0.173 0.000 0.802 280 A HN 0.350 nan 8.150 nan 0.000 0.467 281 S N -1.047 114.798 115.700 0.241 0.000 2.489 281 S HA 0.044 4.514 4.470 0.000 0.000 0.228 281 S C 0.707 175.174 174.600 -0.222 0.000 0.995 281 S CA 0.162 58.380 58.200 0.030 0.000 0.934 281 S CB -0.262 62.957 63.200 0.031 0.000 0.771 281 S HN 0.624 nan 8.310 nan 0.000 0.522 282 H N -0.012 119.185 119.070 0.212 0.000 2.977 282 H HA 0.456 5.012 4.556 0.000 0.000 0.350 282 H C -1.241 174.110 175.328 0.038 0.000 1.238 282 H CA -0.840 55.151 56.048 -0.095 0.000 1.124 282 H CB 1.192 30.561 29.762 -0.654 0.000 1.866 282 H HN 0.160 nan 8.280 nan 0.000 0.550 283 D N 0.523 120.955 120.400 0.053 0.000 2.357 283 D HA 0.038 4.678 4.640 0.000 0.000 0.242 283 D C 1.507 177.876 176.300 0.114 0.000 1.153 283 D CA -0.210 53.833 54.000 0.072 0.000 0.918 283 D CB 1.338 42.146 40.800 0.014 0.000 1.181 283 D HN 0.452 nan 8.370 nan 0.000 0.435 284 R N 0.842 121.439 120.500 0.163 0.000 2.103 284 R HA -0.184 4.156 4.340 0.000 0.000 0.242 284 R C 0.529 176.919 176.300 0.149 0.000 1.142 284 R CA 1.617 57.849 56.100 0.220 0.000 0.960 284 R CB 0.039 30.407 30.300 0.114 0.000 0.858 284 R HN 0.400 nan 8.270 nan 0.000 0.439 285 D N -0.860 119.574 120.400 0.058 0.000 2.269 285 D HA -0.162 4.478 4.640 0.000 0.000 0.208 285 D C 1.704 177.985 176.300 -0.031 0.000 0.963 285 D CA 0.784 54.796 54.000 0.020 0.000 0.864 285 D CB -0.488 40.311 40.800 -0.001 0.000 0.936 285 D HN 0.456 nan 8.370 nan 0.000 0.505 286 H N -0.511 118.436 119.070 -0.205 0.000 2.293 286 H HA -0.144 4.412 4.556 0.000 0.000 0.300 286 H C 1.733 176.826 175.328 -0.392 0.000 1.082 286 H CA 1.584 57.380 56.048 -0.420 0.000 1.308 286 H CB -0.203 29.118 29.762 -0.734 0.000 1.375 286 H HN 0.251 nan 8.280 nan 0.000 0.495 287 W N 0.664 122.008 121.300 0.075 0.000 2.388 287 W HA -0.036 4.624 4.660 0.000 0.000 0.294 287 W C 2.899 179.498 176.519 0.132 0.000 1.212 287 W CA 0.482 57.924 57.345 0.162 0.000 1.271 287 W CB -0.687 29.051 29.460 0.464 0.000 1.126 287 W HN 0.287 nan 8.180 nan 0.000 0.535 288 G N 1.171 110.127 108.800 0.260 0.000 2.649 288 G HA2 -0.387 3.574 3.960 0.000 0.000 0.220 288 G HA3 -0.387 3.574 3.960 0.000 0.000 0.220 288 G C 1.623 176.553 174.900 0.050 0.000 1.189 288 G CA 2.271 47.449 45.100 0.131 0.000 0.777 288 G HN 0.368 nan 8.290 nan 0.000 0.602 289 A N -0.650 122.121 122.820 -0.082 0.000 1.930 289 A HA 0.288 4.608 4.320 0.000 0.000 0.215 289 A C 2.572 180.027 177.584 -0.215 0.000 1.176 289 A CA 1.531 53.480 52.037 -0.147 0.000 0.632 289 A CB -0.378 18.509 19.000 -0.189 0.000 0.819 289 A HN 0.311 nan 8.150 nan 0.000 0.445 290 V N -1.325 118.364 119.914 -0.374 0.000 2.490 290 V HA -0.228 3.893 4.120 0.000 0.000 0.250 290 V C 2.063 177.857 176.094 -0.500 0.000 1.061 290 V CA 2.050 64.041 62.300 -0.515 0.000 1.064 290 V CB -0.800 30.606 31.823 -0.694 0.000 0.670 290 V HN 0.628 nan 8.190 nan 0.000 0.461 291 F N -0.882 119.079 119.950 0.017 0.000 2.653 291 F HA 0.360 4.887 4.527 0.000 0.000 0.288 291 F C 2.265 178.057 175.800 -0.014 0.000 1.121 291 F CA 0.555 58.567 58.000 0.020 0.000 1.384 291 F CB -0.638 38.398 39.000 0.060 0.000 1.115 291 F HN 0.022 nan 8.300 nan 0.000 0.599 292 A N 1.348 124.254 122.820 0.142 0.000 2.077 292 A HA -0.387 3.934 4.320 0.000 0.000 0.227 292 A C 1.470 179.072 177.584 0.030 0.000 1.316 292 A CA 2.975 55.047 52.037 0.060 0.000 0.701 292 A CB -1.319 17.686 19.000 0.009 0.000 0.829 292 A HN 0.646 nan 8.150 nan 0.000 0.512 293 N N -1.563 117.154 118.700 0.029 0.000 2.197 293 N HA 0.148 4.889 4.740 0.000 0.000 0.201 293 N C 0.577 176.096 175.510 0.014 0.000 1.148 293 N CA 0.456 53.511 53.050 0.008 0.000 0.883 293 N CB 0.484 38.968 38.487 -0.006 0.000 1.012 293 N HN 0.585 nan 8.380 nan 0.000 0.507 294 S N -0.292 115.440 115.700 0.053 0.000 2.713 294 S HA 0.264 4.734 4.470 0.000 0.000 0.277 294 S C 0.166 174.764 174.600 -0.004 0.000 1.168 294 S CA -0.573 57.661 58.200 0.057 0.000 0.994 294 S CB 0.978 64.265 63.200 0.145 0.000 1.054 294 S HN -0.099 nan 8.310 nan 0.000 0.555 295 D N 0.279 120.667 120.400 -0.020 0.000 2.336 295 D HA 0.358 4.998 4.640 0.000 0.000 0.228 295 D C 1.417 177.629 176.300 -0.146 0.000 1.120 295 D CA 0.225 54.119 54.000 -0.176 0.000 0.839 295 D CB -0.183 40.527 40.800 -0.150 0.000 0.932 295 D HN 0.628 nan 8.370 nan 0.000 0.509 296 A N -0.466 122.346 122.820 -0.013 0.000 2.216 296 A HA -0.054 4.266 4.320 0.000 0.000 0.214 296 A C 1.431 178.929 177.584 -0.144 0.000 1.160 296 A CA 0.074 52.094 52.037 -0.028 0.000 0.725 296 A CB -0.590 18.398 19.000 -0.020 0.000 0.784 296 A HN 0.397 nan 8.150 nan 0.000 0.472 297 C N -1.226 117.965 119.300 -0.181 0.000 4.235 297 C HA -0.101 4.359 4.460 0.000 0.000 0.301 297 C C 0.343 175.210 174.990 -0.204 0.000 1.409 297 C CA 0.270 59.183 59.018 -0.175 0.000 2.024 297 C CB -3.246 24.441 27.740 -0.089 0.000 1.286 297 C HN 0.411 nan 8.230 nan 0.000 0.746 298 V N 1.021 120.775 119.914 -0.268 0.000 2.444 298 V HA 0.792 4.912 4.120 0.000 0.000 0.294 298 V C 0.386 176.387 176.094 -0.156 0.000 1.022 298 V CA 0.344 62.444 62.300 -0.332 0.000 0.850 298 V CB 2.350 33.706 31.823 -0.779 0.000 0.992 298 V HN 0.593 nan 8.190 nan 0.000 0.426 299 T N 3.295 117.775 114.554 -0.124 0.000 2.903 299 T HA 0.665 5.015 4.350 0.000 0.000 0.299 299 T C -3.155 171.528 174.700 -0.029 0.000 1.093 299 T CA -2.287 59.780 62.100 -0.054 0.000 1.002 299 T CB 2.467 71.290 68.868 -0.074 0.000 1.127 299 T HN 0.416 nan 8.240 nan 0.000 0.488 300 P HA 0.259 nan 4.420 nan 0.000 0.276 300 P C -0.401 176.897 177.300 -0.004 0.000 1.230 300 P CA -0.391 62.723 63.100 0.023 0.000 0.776 300 P CB 0.701 32.419 31.700 0.030 0.000 0.888 301 V N 5.333 125.255 119.914 0.013 0.000 2.338 301 V HA 0.081 4.202 4.120 0.000 0.000 0.255 301 V C 0.799 176.894 176.094 0.002 0.000 1.082 301 V CA -0.114 62.188 62.300 0.003 0.000 0.951 301 V CB -0.583 31.264 31.823 0.040 0.000 1.102 301 V HN 0.367 nan 8.190 nan 0.000 0.489 302 L N 4.250 125.451 121.223 -0.036 0.000 2.326 302 L HA 0.616 4.957 4.340 0.000 0.000 0.278 302 L C 0.873 177.681 176.870 -0.103 0.000 1.092 302 L CA -0.182 54.627 54.840 -0.052 0.000 0.810 302 L CB 1.013 43.039 42.059 -0.054 0.000 1.153 302 L HN 0.625 nan 8.230 nan 0.000 0.439 303 A N 2.606 125.371 122.820 -0.092 0.000 2.351 303 A HA 0.314 4.634 4.320 0.000 0.000 0.257 303 A C 0.907 178.427 177.584 -0.107 0.000 1.087 303 A CA -0.221 51.724 52.037 -0.153 0.000 0.798 303 A CB 0.057 19.018 19.000 -0.065 0.000 1.033 303 A HN 0.737 nan 8.150 nan 0.000 0.488 304 F N 1.427 121.368 119.950 -0.015 0.000 2.111 304 F HA -0.269 4.258 4.527 0.000 0.000 0.300 304 F C 2.476 178.242 175.800 -0.058 0.000 1.088 304 F CA 1.627 59.600 58.000 -0.045 0.000 1.243 304 F CB -0.290 38.698 39.000 -0.020 0.000 0.996 304 F HN 0.682 nan 8.300 nan 0.000 0.483 305 G N -0.770 108.132 108.800 0.170 0.000 2.598 305 G HA2 -0.128 3.833 3.960 0.000 0.000 0.215 305 G HA3 -0.128 3.833 3.960 0.000 0.000 0.215 305 G C 1.292 176.283 174.900 0.151 0.000 1.131 305 G CA 0.446 45.627 45.100 0.134 0.000 0.785 305 G HN 0.391 nan 8.290 nan 0.000 0.539 306 E N -0.184 120.050 120.200 0.056 0.000 2.415 306 E HA 0.085 4.435 4.350 0.000 0.000 0.197 306 E C 2.379 178.889 176.600 -0.149 0.000 1.007 306 E CA -0.218 56.158 56.400 -0.041 0.000 0.890 306 E CB 0.405 30.074 29.700 -0.052 0.000 0.891 306 E HN 0.253 nan 8.360 nan 0.000 0.496 307 V N 2.898 122.738 119.914 -0.124 0.000 2.324 307 V HA -0.300 3.820 4.120 0.000 0.000 0.250 307 V C 2.508 178.375 176.094 -0.378 0.000 1.060 307 V CA 2.268 64.430 62.300 -0.231 0.000 1.042 307 V CB -0.901 30.758 31.823 -0.274 0.000 0.650 307 V HN 0.527 nan 8.190 nan 0.000 0.450 308 H N -0.279 118.428 119.070 -0.604 0.000 2.521 308 H HA -0.037 4.520 4.556 0.000 0.000 0.286 308 H C 1.436 176.497 175.328 -0.446 0.000 1.034 308 H CA 1.349 56.888 56.048 -0.848 0.000 1.278 308 H CB -0.441 28.487 29.762 -1.391 0.000 1.386 308 H HN 0.414 nan 8.280 nan 0.000 0.567 309 N N 0.895 119.096 118.700 -0.831 0.000 2.336 309 N HA -0.033 4.707 4.740 0.000 0.000 0.189 309 N C -0.010 175.342 175.510 -0.263 0.000 1.113 309 N CA 0.206 52.941 53.050 -0.526 0.000 0.858 309 N CB 0.316 38.507 38.487 -0.494 0.000 0.970 309 N HN 0.428 nan 8.380 nan 0.000 0.471 310 E N 1.420 121.490 120.200 -0.217 0.000 2.152 310 E HA 0.186 4.536 4.350 0.000 0.000 0.285 310 E C -1.692 174.876 176.600 -0.054 0.000 1.043 310 E CA -2.157 54.181 56.400 -0.103 0.000 0.839 310 E CB 1.303 30.964 29.700 -0.065 0.000 1.069 310 E HN -0.008 nan 8.360 nan 0.000 0.399 311 P HA -0.175 nan 4.420 nan 0.000 0.216 311 P C 0.744 178.066 177.300 0.036 0.000 1.150 311 P CA 1.286 64.386 63.100 0.000 0.000 0.843 311 P CB 0.085 31.791 31.700 0.009 0.000 0.787 312 H N -0.574 118.486 119.070 -0.018 0.000 2.421 312 H HA -0.065 4.491 4.556 0.000 0.000 0.298 312 H C 1.845 177.181 175.328 0.015 0.000 1.087 312 H CA 1.239 57.286 56.048 -0.001 0.000 1.330 312 H CB -0.541 29.220 29.762 -0.001 0.000 1.388 312 H HN -0.083 nan 8.280 nan 0.000 0.526 313 I N 0.182 120.787 120.570 0.057 0.000 2.163 313 I HA -0.229 3.941 4.170 0.000 0.000 0.240 313 I C 2.367 178.486 176.117 0.004 0.000 1.081 313 I CA 1.131 62.460 61.300 0.048 0.000 1.353 313 I CB -1.011 37.023 38.000 0.056 0.000 1.054 313 I HN 0.339 nan 8.210 nan 0.000 0.407 314 I N 0.857 121.408 120.570 -0.032 0.000 2.099 314 I HA -0.287 3.883 4.170 0.000 0.000 0.239 314 I C 2.514 178.627 176.117 -0.007 0.000 1.066 314 I CA 1.447 62.734 61.300 -0.021 0.000 1.324 314 I CB -0.499 37.479 38.000 -0.036 0.000 1.037 314 I HN 0.228 nan 8.210 nan 0.000 0.401 315 E N 0.857 121.031 120.200 -0.043 0.000 2.204 315 E HA -0.167 4.183 4.350 0.000 0.000 0.195 315 E C 2.032 178.591 176.600 -0.068 0.000 0.990 315 E CA 1.033 57.404 56.400 -0.048 0.000 0.821 315 E CB -0.269 29.398 29.700 -0.055 0.000 0.750 315 E HN 0.550 nan 8.360 nan 0.000 0.477 316 R N 0.579 121.006 120.500 -0.122 0.000 2.334 316 R HA 0.104 4.444 4.340 0.000 0.000 0.216 316 R C -0.028 176.255 176.300 -0.029 0.000 0.905 316 R CA -0.115 55.917 56.100 -0.114 0.000 1.064 316 R CB 0.100 30.265 30.300 -0.226 0.000 1.046 316 R HN 0.061 nan 8.270 nan 0.000 0.508 317 N N 0.796 119.512 118.700 0.026 0.000 2.740 317 N HA -0.163 4.577 4.740 0.000 0.000 0.248 317 N C 0.163 175.730 175.510 0.095 0.000 1.062 317 N CA 1.091 54.201 53.050 0.100 0.000 0.704 317 N CB -1.092 37.449 38.487 0.091 0.000 0.968 317 N HN 0.220 nan 8.380 nan 0.000 0.547 318 T N -1.116 113.486 114.554 0.079 0.000 2.881 318 T HA -0.035 4.316 4.350 0.000 0.000 0.270 318 T C 0.612 175.199 174.700 -0.188 0.000 1.068 318 T CA 1.159 63.235 62.100 -0.040 0.000 1.131 318 T CB 0.013 68.876 68.868 -0.008 0.000 0.871 318 T HN 0.298 nan 8.240 nan 0.000 0.479 319 F N 0.047 120.103 119.950 0.176 0.000 2.579 319 F HA 0.574 5.101 4.527 0.000 0.000 0.324 319 F C -0.383 175.713 175.800 0.493 0.000 1.058 319 F CA -1.856 56.325 58.000 0.302 0.000 0.944 319 F CB 1.477 40.639 39.000 0.269 0.000 1.245 319 F HN 0.075 nan 8.300 nan 0.000 0.477 320 Y N -1.713 118.894 120.300 0.512 0.000 2.576 320 Y HA 0.651 5.201 4.550 0.000 0.000 0.346 320 Y C -1.046 174.896 175.900 0.070 0.000 1.018 320 Y CA -1.427 56.859 58.100 0.310 0.000 1.050 320 Y CB 0.983 39.517 38.460 0.124 0.000 1.280 320 Y HN 0.522 nan 8.280 nan 0.000 0.474 321 E N 1.930 121.911 120.200 -0.365 0.000 2.194 321 E HA 0.515 4.866 4.350 0.000 0.000 0.284 321 E C -0.456 175.961 176.600 -0.305 0.000 1.035 321 E CA -0.502 55.474 56.400 -0.707 0.000 0.836 321 E CB 1.345 30.545 29.700 -0.833 0.000 1.070 321 E HN 0.794 nan 8.360 nan 0.000 0.401 322 A N 3.721 126.315 122.820 -0.377 0.000 2.257 322 A HA 0.220 4.540 4.320 0.000 0.000 0.290 322 A C 0.042 177.517 177.584 -0.181 0.000 1.201 322 A CA -0.801 51.143 52.037 -0.155 0.000 0.863 322 A CB 0.314 19.221 19.000 -0.153 0.000 1.256 322 A HN 0.758 nan 8.150 nan 0.000 0.506 323 N N -0.367 118.267 118.700 -0.110 0.000 2.497 323 N HA 0.383 5.123 4.740 0.000 0.000 0.271 323 N C 0.521 175.952 175.510 -0.130 0.000 1.142 323 N CA 0.468 53.448 53.050 -0.116 0.000 0.965 323 N CB 0.684 39.128 38.487 -0.071 0.000 1.077 323 N HN 1.812 nan 8.380 nan 0.000 0.462 324 G N 0.070 108.780 108.800 -0.150 0.000 2.182 324 G HA2 0.284 4.244 3.960 0.000 0.000 0.248 324 G HA3 0.284 4.244 3.960 0.000 0.000 0.248 324 G C 0.353 175.158 174.900 -0.158 0.000 1.042 324 G CA 0.447 45.468 45.100 -0.131 0.000 0.775 324 G HN 1.661 nan 8.290 nan 0.000 0.501 325 G N -2.695 105.947 108.800 -0.262 0.000 2.326 325 G HA2 0.339 4.299 3.960 0.000 0.000 0.413 325 G HA3 0.339 4.299 3.960 0.000 0.000 0.413 325 G C -0.481 174.197 174.900 -0.370 0.000 1.444 325 G CA -0.247 44.695 45.100 -0.263 0.000 1.002 325 G HN 1.008 nan 8.290 nan 0.000 0.649 326 W N 0.875 122.064 121.300 -0.185 0.000 2.272 326 W HA 0.627 5.287 4.660 0.000 0.000 0.318 326 W C 0.487 176.931 176.519 -0.125 0.000 1.255 326 W CA -0.155 57.089 57.345 -0.169 0.000 1.200 326 W CB 1.101 30.442 29.460 -0.198 0.000 1.170 326 W HN 0.402 nan 8.180 nan 0.000 0.549 327 Q N 4.220 123.989 119.800 -0.051 0.000 2.377 327 Q HA 0.379 4.720 4.340 0.000 0.000 0.271 327 Q C -2.350 173.705 176.000 0.092 0.000 1.077 327 Q CA -2.461 53.294 55.803 -0.079 0.000 0.820 327 Q CB 1.573 30.064 28.738 -0.412 0.000 1.347 327 Q HN 0.151 nan 8.270 nan 0.000 0.444 328 P HA 0.060 nan 4.420 nan 0.000 0.271 328 P C -0.209 177.117 177.300 0.043 0.000 1.216 328 P CA -0.054 62.849 63.100 -0.328 0.000 0.771 328 P CB 0.596 32.096 31.700 -0.334 0.000 0.864 329 M N 4.146 123.769 119.600 0.038 0.000 2.198 329 M HA 0.240 4.720 4.480 0.000 0.000 0.315 329 M C -1.887 174.414 176.300 0.002 0.000 1.134 329 M CA -1.831 53.533 55.300 0.108 0.000 1.171 329 M CB -0.897 31.748 32.600 0.076 0.000 1.413 329 M HN 0.172 nan 8.290 nan 0.000 0.467 330 P HA 0.183 nan 4.420 nan 0.000 0.266 330 P C -1.339 175.960 177.300 -0.002 0.000 1.195 330 P CA -0.002 63.099 63.100 0.001 0.000 0.768 330 P CB 0.385 32.096 31.700 0.018 0.000 0.838 331 A N 4.057 126.873 122.820 -0.008 0.000 2.401 331 A HA 0.788 5.108 4.320 0.000 0.000 0.310 331 A C -2.299 175.283 177.584 -0.003 0.000 1.075 331 A CA -1.274 50.745 52.037 -0.031 0.000 0.746 331 A CB 0.618 19.587 19.000 -0.051 0.000 1.277 331 A HN 0.410 nan 8.150 nan 0.000 0.425 332 P HA 0.532 nan 4.420 nan 0.000 0.312 332 P C -0.884 176.203 177.300 -0.354 0.000 1.308 332 P CA -0.506 62.452 63.100 -0.236 0.000 0.743 332 P CB 0.650 32.148 31.700 -0.337 0.000 1.364 333 R N -1.115 119.115 120.500 -0.450 0.000 2.664 333 R HA 0.629 4.969 4.340 0.000 0.000 0.286 333 R C -0.824 175.156 176.300 -0.533 0.000 0.967 333 R CA -0.435 55.477 56.100 -0.313 0.000 0.933 333 R CB 1.020 31.240 30.300 -0.133 0.000 1.146 333 R HN 0.353 nan 8.270 nan 0.000 0.468 334 F N -0.205 119.732 119.950 -0.021 0.000 2.520 334 F HA 0.192 4.719 4.527 0.000 0.000 0.322 334 F C 1.362 177.153 175.800 -0.015 0.000 1.103 334 F CA -0.698 57.291 58.000 -0.018 0.000 0.926 334 F CB 2.214 41.202 39.000 -0.020 0.000 1.154 334 F HN 0.579 nan 8.300 nan 0.000 0.453 335 S N 1.531 117.315 115.700 0.139 0.000 2.425 335 S HA -0.024 4.446 4.470 0.000 0.000 0.225 335 S C 1.818 176.461 174.600 0.072 0.000 1.024 335 S CA 0.614 58.860 58.200 0.076 0.000 0.951 335 S CB -0.034 63.191 63.200 0.041 0.000 0.796 335 S HN 0.752 nan 8.310 nan 0.000 0.498 336 R N 1.675 122.227 120.500 0.086 0.000 2.087 336 R HA 0.073 4.413 4.340 0.000 0.000 0.213 336 R C 0.302 176.624 176.300 0.037 0.000 1.137 336 R CA 1.382 57.513 56.100 0.050 0.000 1.022 336 R CB -0.093 30.230 30.300 0.039 0.000 0.920 336 R HN 0.495 nan 8.270 nan 0.000 0.451 337 T N -0.453 114.122 114.554 0.034 0.000 3.355 337 T HA 0.632 4.982 4.350 0.000 0.000 0.376 337 T C -0.155 174.543 174.700 -0.003 0.000 1.683 337 T CA -0.667 61.420 62.100 -0.022 0.000 1.269 337 T CB 1.147 69.957 68.868 -0.096 0.000 1.158 337 T HN 0.288 nan 8.240 nan 0.000 0.703 338 A N 2.657 125.505 122.820 0.047 0.000 2.386 338 A HA 0.600 4.920 4.320 0.000 0.000 0.248 338 A C 0.728 178.331 177.584 0.032 0.000 1.082 338 A CA -0.577 51.513 52.037 0.088 0.000 0.789 338 A CB 0.148 19.187 19.000 0.064 0.000 1.025 338 A HN 0.726 nan 8.150 nan 0.000 0.490 339 S N 0.872 116.611 115.700 0.065 0.000 2.580 339 S HA 0.369 4.839 4.470 0.000 0.000 0.274 339 S C 0.653 175.243 174.600 -0.018 0.000 1.329 339 S CA -0.499 57.706 58.200 0.009 0.000 1.036 339 S CB 0.854 64.077 63.200 0.037 0.000 0.919 339 S HN 0.755 nan 8.310 nan 0.000 0.515 340 S N 1.694 117.367 115.700 -0.046 0.000 2.614 340 S HA 0.162 4.632 4.470 0.000 0.000 0.265 340 S C 0.232 174.761 174.600 -0.118 0.000 1.303 340 S CA -0.667 57.492 58.200 -0.068 0.000 1.000 340 S CB 0.376 63.536 63.200 -0.067 0.000 0.935 340 S HN 0.737 nan 8.310 nan 0.000 0.551 341 Q N 1.319 121.022 119.800 -0.161 0.000 2.300 341 Q HA 0.099 4.439 4.340 0.000 0.000 0.280 341 Q C -2.372 173.444 176.000 -0.307 0.000 1.033 341 Q CA -1.270 54.343 55.803 -0.316 0.000 0.903 341 Q CB 0.099 28.647 28.738 -0.316 0.000 1.195 341 Q HN 0.235 nan 8.270 nan 0.000 0.386 342 P HA -0.022 nan 4.420 nan 0.000 0.267 342 P C -1.159 176.059 177.300 -0.137 0.000 1.200 342 P CA 0.374 63.351 63.100 -0.204 0.000 0.772 342 P CB 0.521 32.146 31.700 -0.125 0.000 0.855 343 R N 4.247 124.709 120.500 -0.063 0.000 2.298 343 R HA 0.268 4.609 4.340 0.000 0.000 0.310 343 R C -1.873 174.430 176.300 0.005 0.000 1.068 343 R CA -1.532 54.550 56.100 -0.030 0.000 0.957 343 R CB -0.014 30.271 30.300 -0.024 0.000 1.003 343 R HN 0.443 nan 8.270 nan 0.000 0.454 344 P HA 0.095 nan 4.420 nan 0.000 0.272 344 P C -2.496 174.816 177.300 0.020 0.000 1.240 344 P CA -1.472 61.651 63.100 0.039 0.000 0.791 344 P CB -0.162 31.561 31.700 0.037 0.000 0.978 345 P HA 0.106 nan 4.420 nan 0.000 0.262 345 P C -0.433 176.869 177.300 0.003 0.000 1.182 345 P CA 0.844 63.950 63.100 0.011 0.000 0.761 345 P CB 0.047 31.754 31.700 0.012 0.000 0.795 346 A N 2.910 125.729 122.820 -0.002 0.000 2.414 346 A HA 0.810 5.130 4.320 0.000 0.000 0.278 346 A C -0.514 177.064 177.584 -0.010 0.000 1.228 346 A CA -0.547 51.486 52.037 -0.007 0.000 0.857 346 A CB 0.784 19.778 19.000 -0.010 0.000 1.389 346 A HN 0.503 nan 8.150 nan 0.000 0.452 347 A N 0.219 123.031 122.820 -0.012 0.000 2.477 347 A HA 0.508 4.828 4.320 0.000 0.000 0.246 347 A C 0.604 178.177 177.584 -0.019 0.000 1.078 347 A CA 0.290 52.319 52.037 -0.014 0.000 0.770 347 A CB -0.785 18.207 19.000 -0.014 0.000 1.011 347 A HN 0.939 nan 8.150 nan 0.000 0.494 348 T N 2.833 117.377 114.554 -0.018 0.000 2.905 348 T HA 0.327 4.677 4.350 0.000 0.000 0.299 348 T C 0.499 175.181 174.700 -0.030 0.000 1.024 348 T CA 0.935 63.021 62.100 -0.023 0.000 1.151 348 T CB -0.594 68.263 68.868 -0.018 0.000 0.987 348 T HN 0.593 nan 8.240 nan 0.000 0.535 349 I N -0.696 119.849 120.570 -0.041 0.000 2.863 349 I HA 0.615 4.785 4.170 0.000 0.000 0.311 349 I C -0.130 175.955 176.117 -0.054 0.000 1.026 349 I CA -1.418 59.853 61.300 -0.048 0.000 1.077 349 I CB 1.362 39.326 38.000 -0.060 0.000 1.262 349 I HN 0.241 nan 8.210 nan 0.000 0.461 350 D N 2.907 123.276 120.400 -0.052 0.000 2.382 350 D HA 0.068 4.708 4.640 0.000 0.000 0.259 350 D C 0.962 177.219 176.300 -0.071 0.000 1.224 350 D CA 0.198 54.167 54.000 -0.051 0.000 0.894 350 D CB 0.822 41.598 40.800 -0.040 0.000 1.127 350 D HN 0.705 nan 8.370 nan 0.000 0.487 351 I N 3.476 124.004 120.570 -0.071 0.000 2.381 351 I HA -0.258 3.912 4.170 0.000 0.000 0.255 351 I C 1.481 177.543 176.117 -0.091 0.000 1.140 351 I CA 1.308 62.553 61.300 -0.091 0.000 1.404 351 I CB 0.274 38.233 38.000 -0.068 0.000 1.075 351 I HN 0.440 nan 8.210 nan 0.000 0.433 352 E N 0.775 120.937 120.200 -0.063 0.000 2.208 352 E HA -0.136 4.215 4.350 0.000 0.000 0.193 352 E C 2.209 178.774 176.600 -0.058 0.000 0.988 352 E CA 1.071 57.441 56.400 -0.050 0.000 0.828 352 E CB -0.133 29.549 29.700 -0.031 0.000 0.763 352 E HN 0.661 nan 8.360 nan 0.000 0.478 353 A N 1.076 123.854 122.820 -0.070 0.000 1.898 353 A HA -0.110 4.210 4.320 0.000 0.000 0.216 353 A C 2.564 180.081 177.584 -0.111 0.000 1.181 353 A CA 1.120 53.113 52.037 -0.072 0.000 0.620 353 A CB -0.536 18.424 19.000 -0.067 0.000 0.819 353 A HN 0.115 nan 8.150 nan 0.000 0.442 354 V N 0.024 119.828 119.914 -0.183 0.000 2.358 354 V HA -0.230 3.890 4.120 0.000 0.000 0.246 354 V C 2.526 178.443 176.094 -0.295 0.000 1.047 354 V CA 1.803 63.897 62.300 -0.344 0.000 1.035 354 V CB -0.763 30.767 31.823 -0.489 0.000 0.658 354 V HN 0.555 nan 8.190 nan 0.000 0.452 355 L N -0.306 120.822 121.223 -0.159 0.000 2.083 355 L HA -0.176 4.164 4.340 0.000 0.000 0.209 355 L C 2.604 179.493 176.870 0.032 0.000 1.083 355 L CA 1.841 56.660 54.840 -0.034 0.000 0.752 355 L CB -0.718 41.330 42.059 -0.017 0.000 0.899 355 L HN 0.376 nan 8.230 nan 0.000 0.433 356 T N -1.389 113.167 114.554 0.003 0.000 2.770 356 T HA -0.198 4.152 4.350 0.000 0.000 0.263 356 T C 1.479 176.215 174.700 0.059 0.000 1.039 356 T CA 1.483 63.600 62.100 0.028 0.000 1.142 356 T CB -0.229 68.644 68.868 0.007 0.000 0.868 356 T HN 0.362 nan 8.240 nan 0.000 0.435 357 D N 0.008 120.433 120.400 0.041 0.000 2.133 357 D HA -0.162 4.478 4.640 0.000 0.000 0.195 357 D C 1.282 177.744 176.300 0.270 0.000 0.997 357 D CA 1.157 55.217 54.000 0.100 0.000 0.840 357 D CB -0.171 40.645 40.800 0.027 0.000 0.947 357 D HN 0.402 nan 8.370 nan 0.000 0.452 358 W N 0.859 122.155 121.300 -0.006 0.000 3.256 358 W HA 0.261 4.921 4.660 0.000 0.000 0.269 358 W C 0.289 176.805 176.519 -0.005 0.000 1.310 358 W CA 0.252 57.593 57.345 -0.006 0.000 1.673 358 W CB -0.194 29.263 29.460 -0.006 0.000 1.115 358 W HN 0.023 nan 8.180 nan 0.000 0.686 359 D N -1.123 119.399 120.400 0.203 0.000 2.870 359 D HA -0.126 4.514 4.640 0.000 0.000 0.228 359 D C 0.756 177.119 176.300 0.104 0.000 1.147 359 D CA 1.448 55.515 54.000 0.113 0.000 0.757 359 D CB -1.184 39.660 40.800 0.074 0.000 1.091 359 D HN 0.258 nan 8.370 nan 0.000 0.429 360 G N 0.000 108.881 108.800 0.134 0.000 5.446 360 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 360 G CA 0.000 45.166 45.100 0.111 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925