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 2ptd_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSVNELENW SKWMQPIPDS IPLARISIPG THDSGTFKLQ NPIKQVWGMT DATA SEQUENCE QEYDFRYQMD HGARIFDIRG RLTDDNTIVL HHGPLYLYVT LHEFINEAKQ DATA SEQUENCE FLKDNPSETI IMSLKKEYED MKGAEDSFSS TFEKKYFVDP IFLKTEGNIK DATA SEQUENCE LGDARGKIVL LKRYSGSNEP GGYNNFYWPD NETFTTTVNQ NANVTVQEKY DATA SEQUENCE KVSYDEKVKS IKDTMDETMN NSEDLNHLYI NFTSLSSGGT AWNSPYYYAS DATA SEQUENCE YINPEIANYI KQKNPARVGW VIQDYINEKW SPLLYQEVIR ANKSLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.605 177.584 0.036 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.017 19.000 0.029 0.000 0.831 2 S N -0.885 114.836 115.700 0.034 0.000 2.691 2 S HA 0.285 4.755 4.470 -0.000 0.000 0.258 2 S C 0.669 175.289 174.600 0.033 0.000 1.078 2 S CA 0.684 58.903 58.200 0.031 0.000 1.000 2 S CB 0.540 63.753 63.200 0.023 0.000 0.942 2 S HN 0.679 nan 8.310 nan 0.000 0.521 3 S N 1.800 117.521 115.700 0.035 0.000 2.489 3 S HA 0.378 4.848 4.470 -0.000 0.000 0.291 3 S C 1.184 175.813 174.600 0.048 0.000 1.151 3 S CA -0.497 57.724 58.200 0.035 0.000 1.082 3 S CB 1.477 64.693 63.200 0.027 0.000 1.019 3 S HN 0.266 nan 8.310 nan 0.000 0.492 4 V N 3.209 123.151 119.914 0.045 0.000 3.141 4 V HA 0.009 4.129 4.120 -0.000 0.000 0.265 4 V C 1.444 177.573 176.094 0.058 0.000 1.126 4 V CA 1.805 64.139 62.300 0.056 0.000 1.141 4 V CB -1.374 30.476 31.823 0.045 0.000 0.743 4 V HN 0.931 nan 8.190 nan 0.000 0.492 5 N N 0.436 119.162 118.700 0.043 0.000 2.521 5 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 5 N C 1.376 176.915 175.510 0.048 0.000 1.146 5 N CA 1.161 54.232 53.050 0.035 0.000 0.893 5 N CB -0.489 38.007 38.487 0.015 0.000 0.975 5 N HN 0.656 nan 8.380 nan 0.000 0.451 6 E N -0.122 120.119 120.200 0.068 0.000 2.435 6 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 6 E C 1.209 177.901 176.600 0.153 0.000 1.029 6 E CA 0.218 56.670 56.400 0.088 0.000 0.865 6 E CB 0.047 29.795 29.700 0.079 0.000 0.833 6 E HN 0.453 nan 8.360 nan 0.000 0.510 7 L N 1.021 122.344 121.223 0.167 0.000 2.478 7 L HA -0.048 4.292 4.340 -0.000 0.000 0.223 7 L C 1.662 178.678 176.870 0.244 0.000 1.140 7 L CA 0.433 55.418 54.840 0.243 0.000 0.842 7 L CB 0.069 42.233 42.059 0.174 0.000 0.953 7 L HN 0.033 nan 8.230 nan 0.000 0.452 8 E N -0.314 119.978 120.200 0.153 0.000 2.481 8 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 8 E C 0.390 176.975 176.600 -0.024 0.000 1.047 8 E CA 0.167 56.618 56.400 0.084 0.000 0.867 8 E CB -0.230 29.467 29.700 -0.006 0.000 0.858 8 E HN 0.221 nan 8.360 nan 0.000 0.513 9 N N 0.924 119.685 118.700 0.101 0.000 2.602 9 N HA -0.027 4.713 4.740 -0.000 0.000 0.238 9 N C 0.337 176.036 175.510 0.316 0.000 1.084 9 N CA -0.280 52.814 53.050 0.074 0.000 0.952 9 N CB 0.060 38.595 38.487 0.079 0.000 1.244 9 N HN -0.012 nan 8.380 nan 0.000 0.512 10 W N 1.783 123.165 121.300 0.137 0.000 2.364 10 W HA -0.060 4.600 4.660 -0.000 0.000 0.281 10 W C 1.760 178.482 176.519 0.338 0.000 1.219 10 W CA 0.332 57.809 57.345 0.220 0.000 1.220 10 W CB -1.185 28.305 29.460 0.049 0.000 1.127 10 W HN 0.462 nan 8.180 nan 0.000 0.556 11 S N -0.609 115.340 115.700 0.416 0.000 2.461 11 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 11 S C 1.087 175.826 174.600 0.232 0.000 1.005 11 S CA 0.837 59.252 58.200 0.359 0.000 0.942 11 S CB -0.065 63.248 63.200 0.189 0.000 0.776 11 S HN 0.261 nan 8.310 nan 0.000 0.514 12 K N 0.738 121.258 120.400 0.201 0.000 2.860 12 K HA 0.127 4.447 4.320 -0.000 0.000 0.204 12 K C 0.755 177.429 176.600 0.123 0.000 1.127 12 K CA -0.273 56.059 56.287 0.075 0.000 1.050 12 K CB 0.254 32.768 32.500 0.023 0.000 0.745 12 K HN 0.455 nan 8.250 nan 0.000 0.459 13 W N 0.380 121.766 121.300 0.144 0.000 2.525 13 W HA -0.077 4.582 4.660 -0.000 0.000 0.259 13 W C 0.763 177.345 176.519 0.104 0.000 1.253 13 W CA 0.424 57.849 57.345 0.133 0.000 1.262 13 W CB -0.591 28.974 29.460 0.175 0.000 1.122 13 W HN 0.050 nan 8.180 nan 0.000 0.607 14 M N 0.993 120.350 119.600 -0.405 0.000 2.595 14 M HA -0.069 4.411 4.480 -0.000 0.000 0.248 14 M C 2.440 178.671 176.300 -0.114 0.000 1.119 14 M CA 0.952 56.020 55.300 -0.385 0.000 1.079 14 M CB -0.407 31.819 32.600 -0.623 0.000 1.472 14 M HN 0.070 nan 8.290 nan 0.000 0.501 15 Q N 1.950 121.716 119.800 -0.056 0.000 2.061 15 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 15 Q C -0.774 175.239 176.000 0.021 0.000 0.984 15 Q CA 1.644 57.438 55.803 -0.016 0.000 0.846 15 Q CB -0.658 28.078 28.738 -0.004 0.000 0.902 15 Q HN 0.313 nan 8.270 nan 0.000 0.421 16 P HA -0.012 nan 4.420 nan 0.000 0.229 16 P C 0.142 177.486 177.300 0.073 0.000 1.160 16 P CA 0.606 63.748 63.100 0.070 0.000 0.777 16 P CB -0.015 31.742 31.700 0.095 0.000 0.814 17 I N 1.803 122.423 120.570 0.083 0.000 2.588 17 I HA 0.123 4.293 4.170 -0.000 0.000 0.283 17 I C -1.980 174.172 176.117 0.059 0.000 1.119 17 I CA -2.301 59.051 61.300 0.088 0.000 1.419 17 I CB -0.096 37.971 38.000 0.112 0.000 1.394 17 I HN -0.192 nan 8.210 nan 0.000 0.562 18 P HA 0.030 nan 4.420 nan 0.000 0.269 18 P C -0.162 177.167 177.300 0.048 0.000 1.209 18 P CA -0.084 63.046 63.100 0.050 0.000 0.776 18 P CB 0.580 32.311 31.700 0.052 0.000 0.876 19 D N 0.280 120.703 120.400 0.038 0.000 2.178 19 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 19 D C 1.718 178.047 176.300 0.048 0.000 0.980 19 D CA 1.643 55.665 54.000 0.037 0.000 0.842 19 D CB -0.443 40.374 40.800 0.027 0.000 0.948 19 D HN 0.371 nan 8.370 nan 0.000 0.472 20 S N -0.299 115.430 115.700 0.049 0.000 2.515 20 S HA -0.054 4.415 4.470 -0.000 0.000 0.231 20 S C 0.826 175.467 174.600 0.069 0.000 0.987 20 S CA -0.118 58.114 58.200 0.054 0.000 0.936 20 S CB -0.210 63.018 63.200 0.047 0.000 0.766 20 S HN 0.013 nan 8.310 nan 0.000 0.528 21 I N 3.689 124.307 120.570 0.079 0.000 2.452 21 I HA 0.340 4.510 4.170 -0.000 0.000 0.287 21 I C -2.378 173.815 176.117 0.125 0.000 1.079 21 I CA -2.596 58.764 61.300 0.101 0.000 1.387 21 I CB 0.100 38.166 38.000 0.110 0.000 1.404 21 I HN -0.005 nan 8.210 nan 0.000 0.522 22 P HA 0.095 nan 4.420 nan 0.000 0.268 22 P C 0.980 178.426 177.300 0.244 0.000 1.205 22 P CA -0.136 63.069 63.100 0.176 0.000 0.771 22 P CB 0.549 32.344 31.700 0.158 0.000 0.858 23 L N 2.097 123.510 121.223 0.317 0.000 2.187 23 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 23 L C 2.230 179.482 176.870 0.637 0.000 1.100 23 L CA 1.691 56.793 54.840 0.438 0.000 0.765 23 L CB -0.818 41.532 42.059 0.485 0.000 0.904 23 L HN 0.453 nan 8.230 nan 0.000 0.437 24 A N 0.265 123.362 122.820 0.462 0.000 1.972 24 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 24 A C 2.356 180.039 177.584 0.166 0.000 1.169 24 A CA 1.694 53.840 52.037 0.182 0.000 0.635 24 A CB -0.385 18.619 19.000 0.006 0.000 0.810 24 A HN 0.314 nan 8.150 nan 0.000 0.446 25 R N 0.169 120.803 120.500 0.224 0.000 2.153 25 R HA 0.157 4.497 4.340 -0.000 0.000 0.218 25 R C 0.404 176.851 176.300 0.245 0.000 1.072 25 R CA 0.410 56.626 56.100 0.192 0.000 0.990 25 R CB -0.702 29.691 30.300 0.155 0.000 0.889 25 R HN 0.486 nan 8.270 nan 0.000 0.452 26 I N 1.347 122.119 120.570 0.337 0.000 2.634 26 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 26 I C -0.080 176.294 176.117 0.429 0.000 1.124 26 I CA -0.093 61.420 61.300 0.356 0.000 1.417 26 I CB 1.281 39.497 38.000 0.361 0.000 1.396 26 I HN 0.032 nan 8.210 nan 0.000 0.571 27 S N 6.937 122.828 115.700 0.319 0.000 2.416 27 S HA 0.486 4.956 4.470 -0.000 0.000 0.287 27 S C -0.180 174.569 174.600 0.250 0.000 1.139 27 S CA -0.372 57.989 58.200 0.269 0.000 1.058 27 S CB -0.051 63.221 63.200 0.119 0.000 0.967 27 S HN 0.297 nan 8.310 nan 0.000 0.495 28 I N 5.258 125.992 120.570 0.273 0.000 2.465 28 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 28 I C -2.566 173.570 176.117 0.031 0.000 1.014 28 I CA -2.704 58.681 61.300 0.142 0.000 1.093 28 I CB 2.165 40.093 38.000 -0.120 0.000 1.267 28 I HN 0.297 nan 8.210 nan 0.000 0.431 29 P HA 0.373 nan 4.420 nan 0.000 0.277 29 P C -0.319 176.920 177.300 -0.101 0.000 1.240 29 P CA -0.241 62.832 63.100 -0.045 0.000 0.798 29 P CB 1.163 32.823 31.700 -0.067 0.000 0.979 30 G N -0.132 108.589 108.800 -0.131 0.000 2.708 30 G HA2 0.654 4.614 3.960 -0.000 0.000 0.289 30 G HA3 0.654 4.614 3.960 -0.000 0.000 0.289 30 G C -1.496 173.290 174.900 -0.189 0.000 1.416 30 G CA -0.664 44.297 45.100 -0.232 0.000 0.829 30 G HN 0.527 nan 8.290 nan 0.000 0.480 31 T N -2.259 112.152 114.554 -0.238 0.000 2.824 31 T HA 0.527 4.877 4.350 -0.000 0.000 0.282 31 T C -0.507 174.237 174.700 0.074 0.000 0.993 31 T CA -0.707 61.354 62.100 -0.066 0.000 0.967 31 T CB 1.589 70.417 68.868 -0.068 0.000 0.960 31 T HN 0.697 nan 8.240 nan 0.000 0.441 32 H N 2.740 121.859 119.070 0.081 0.000 2.646 32 H HA 0.127 4.683 4.556 -0.000 0.000 0.325 32 H C -0.183 175.227 175.328 0.135 0.000 1.075 32 H CA 0.295 56.453 56.048 0.183 0.000 1.421 32 H CB 0.435 30.350 29.762 0.256 0.000 1.461 32 H HN 0.857 nan 8.280 nan 0.000 0.525 33 D N 3.689 123.877 120.400 -0.353 0.000 2.697 33 D HA -0.169 4.471 4.640 -0.000 0.000 0.235 33 D C 1.094 177.370 176.300 -0.040 0.000 1.167 33 D CA 1.052 54.894 54.000 -0.263 0.000 0.656 33 D CB -0.632 39.901 40.800 -0.445 0.000 1.025 33 D HN 0.667 nan 8.370 nan 0.000 0.419 34 S N -0.767 115.005 115.700 0.120 0.000 2.413 34 S HA -0.202 4.268 4.470 -0.000 0.000 0.237 34 S C 1.885 176.674 174.600 0.315 0.000 1.044 34 S CA 1.327 59.716 58.200 0.316 0.000 1.024 34 S CB 0.027 63.620 63.200 0.655 0.000 0.829 34 S HN 0.572 nan 8.310 nan 0.000 0.475 35 G N 1.225 110.161 108.800 0.226 0.000 3.383 35 G HA2 0.210 4.170 3.960 -0.000 0.000 0.251 35 G HA3 0.210 4.170 3.960 -0.000 0.000 0.251 35 G C 0.875 175.560 174.900 -0.358 0.000 1.203 35 G CA 0.449 45.534 45.100 -0.025 0.000 0.852 35 G HN 0.594 nan 8.290 nan 0.000 0.531 36 T N -1.775 112.637 114.554 -0.236 0.000 3.144 36 T HA 0.060 4.410 4.350 -0.000 0.000 0.249 36 T C 1.832 176.366 174.700 -0.277 0.000 1.089 36 T CA -0.079 61.864 62.100 -0.262 0.000 0.989 36 T CB -0.544 68.217 68.868 -0.179 0.000 0.992 36 T HN 0.325 nan 8.240 nan 0.000 0.540 37 F N 1.553 121.383 119.950 -0.201 0.000 2.408 37 F HA 0.334 4.861 4.527 -0.000 0.000 0.300 37 F C 1.751 177.439 175.800 -0.187 0.000 1.090 37 F CA 0.050 57.921 58.000 -0.215 0.000 1.427 37 F CB -0.573 38.273 39.000 -0.257 0.000 1.070 37 F HN 0.077 nan 8.300 nan 0.000 0.549 38 K N 0.818 120.948 120.400 -0.450 0.000 2.400 38 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 38 K C 0.404 176.867 176.600 -0.228 0.000 1.033 38 K CA -0.097 56.028 56.287 -0.269 0.000 1.021 38 K CB 0.001 32.299 32.500 -0.336 0.000 0.808 38 K HN 0.284 nan 8.250 nan 0.000 0.505 39 L N 2.283 123.377 121.223 -0.214 0.000 2.654 39 L HA -0.073 4.267 4.340 -0.000 0.000 0.271 39 L C 1.099 177.887 176.870 -0.137 0.000 1.169 39 L CA 0.479 55.217 54.840 -0.171 0.000 0.947 39 L CB 0.265 42.249 42.059 -0.125 0.000 1.232 39 L HN 0.189 nan 8.230 nan 0.000 0.486 40 Q N 1.519 121.229 119.800 -0.151 0.000 2.246 40 Q HA 0.109 4.449 4.340 -0.000 0.000 0.222 40 Q C -0.275 175.666 176.000 -0.097 0.000 0.851 40 Q CA -0.147 55.584 55.803 -0.120 0.000 0.945 40 Q CB 0.524 29.185 28.738 -0.128 0.000 1.122 40 Q HN 0.685 nan 8.270 nan 0.000 0.508 41 N N 2.095 120.740 118.700 -0.093 0.000 2.430 41 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 41 N C -2.190 173.299 175.510 -0.035 0.000 1.100 41 N CA -1.130 51.883 53.050 -0.061 0.000 0.961 41 N CB 0.875 39.330 38.487 -0.053 0.000 1.075 41 N HN -0.144 nan 8.380 nan 0.000 0.478 42 P HA -0.250 nan 4.420 nan 0.000 0.212 42 P C 1.030 178.335 177.300 0.009 0.000 1.174 42 P CA 1.298 64.382 63.100 -0.027 0.000 0.934 42 P CB 0.169 31.848 31.700 -0.034 0.000 0.791 43 I N -1.268 119.327 120.570 0.042 0.000 2.423 43 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 43 I C 2.163 178.411 176.117 0.219 0.000 1.151 43 I CA 1.557 62.936 61.300 0.131 0.000 1.421 43 I CB -0.552 37.523 38.000 0.125 0.000 1.079 43 I HN 0.016 nan 8.210 nan 0.000 0.431 44 K N 0.396 120.866 120.400 0.117 0.000 2.116 44 K HA -0.113 4.206 4.320 -0.000 0.000 0.203 44 K C 2.143 178.802 176.600 0.099 0.000 1.052 44 K CA 0.937 57.291 56.287 0.111 0.000 0.952 44 K CB -0.079 32.438 32.500 0.029 0.000 0.729 44 K HN 0.398 nan 8.250 nan 0.000 0.446 45 Q N 0.500 120.327 119.800 0.046 0.000 2.084 45 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 45 Q C 2.111 178.142 176.000 0.051 0.000 0.978 45 Q CA 1.357 57.176 55.803 0.027 0.000 0.844 45 Q CB -0.089 28.642 28.738 -0.012 0.000 0.898 45 Q HN 0.091 nan 8.270 nan 0.000 0.426 46 V N -0.823 119.102 119.914 0.019 0.000 2.490 46 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 46 V C 1.361 177.380 176.094 -0.125 0.000 1.061 46 V CA 1.674 63.922 62.300 -0.086 0.000 1.064 46 V CB -0.576 31.117 31.823 -0.216 0.000 0.670 46 V HN 0.422 nan 8.190 nan 0.000 0.461 47 W N 0.113 121.430 121.300 0.028 0.000 2.601 47 W HA 0.298 4.958 4.660 -0.000 0.000 0.292 47 W C 2.501 178.993 176.519 -0.046 0.000 1.153 47 W CA 0.850 58.219 57.345 0.040 0.000 1.448 47 W CB -0.574 28.918 29.460 0.054 0.000 1.113 47 W HN 0.172 nan 8.180 nan 0.000 0.548 48 G N -0.616 108.233 108.800 0.082 0.000 2.656 48 G HA2 0.049 4.009 3.960 -0.000 0.000 0.211 48 G HA3 0.049 4.009 3.960 -0.000 0.000 0.211 48 G C 0.577 175.321 174.900 -0.260 0.000 1.137 48 G CA -0.388 44.488 45.100 -0.373 0.000 0.802 48 G HN -0.055 nan 8.290 nan 0.000 0.527 49 M N 2.596 122.155 119.600 -0.068 0.000 2.252 49 M HA 0.240 4.720 4.480 -0.000 0.000 0.348 49 M C 1.231 177.530 176.300 -0.001 0.000 1.334 49 M CA 0.935 56.214 55.300 -0.035 0.000 1.071 49 M CB 0.947 33.572 32.600 0.042 0.000 1.763 49 M HN 0.116 nan 8.290 nan 0.000 0.452 50 T N 0.592 115.016 114.554 -0.218 0.000 3.130 50 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 50 T C -0.102 174.023 174.700 -0.958 0.000 0.936 50 T CA -0.439 61.389 62.100 -0.452 0.000 0.897 50 T CB 0.491 69.312 68.868 -0.078 0.000 1.178 50 T HN 0.655 nan 8.240 nan 0.000 0.543 51 Q N 1.033 120.450 119.800 -0.639 0.000 2.340 51 Q HA 0.359 4.699 4.340 -0.000 0.000 0.276 51 Q C -0.260 175.640 176.000 -0.166 0.000 1.048 51 Q CA -0.339 55.236 55.803 -0.380 0.000 0.832 51 Q CB 2.493 31.182 28.738 -0.081 0.000 1.373 51 Q HN 0.657 nan 8.270 nan 0.000 0.409 52 E N -0.236 119.891 120.200 -0.121 0.000 2.511 52 E HA 0.155 4.505 4.350 -0.000 0.000 0.209 52 E C -0.502 175.723 176.600 -0.625 0.000 0.986 52 E CA 0.231 56.455 56.400 -0.293 0.000 0.974 52 E CB 0.530 30.030 29.700 -0.333 0.000 1.030 52 E HN 0.387 nan 8.360 nan 0.000 0.490 53 Y N 2.209 122.327 120.300 -0.304 0.000 2.562 53 Y HA 0.240 4.789 4.550 -0.000 0.000 0.343 53 Y C 0.103 175.545 175.900 -0.764 0.000 1.025 53 Y CA -1.609 56.156 58.100 -0.558 0.000 1.082 53 Y CB 1.099 38.910 38.460 -1.082 0.000 1.264 53 Y HN -0.023 nan 8.280 nan 0.000 0.478 54 D N -0.516 119.418 120.400 -0.776 0.000 2.369 54 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 54 D C 0.540 176.445 176.300 -0.660 0.000 1.271 54 D CA -0.097 53.042 54.000 -1.434 0.000 0.942 54 D CB 0.485 40.806 40.800 -0.798 0.000 1.129 54 D HN 0.338 nan 8.370 nan 0.000 0.476 55 F N -1.061 118.682 119.950 -0.344 0.000 2.095 55 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 55 F C 2.542 178.330 175.800 -0.020 0.000 1.104 55 F CA 1.223 59.214 58.000 -0.015 0.000 1.232 55 F CB -0.768 38.242 39.000 0.017 0.000 0.987 55 F HN 0.288 nan 8.300 nan 0.000 0.475 56 R N -0.241 120.344 120.500 0.142 0.000 2.081 56 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 56 R C 2.141 178.522 176.300 0.134 0.000 1.131 56 R CA 1.472 57.635 56.100 0.106 0.000 0.960 56 R CB -1.507 28.864 30.300 0.120 0.000 0.856 56 R HN 0.383 nan 8.270 nan 0.000 0.436 57 Y N 1.104 121.405 120.300 0.002 0.000 2.181 57 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 57 Y C 1.934 177.846 175.900 0.019 0.000 1.146 57 Y CA 2.185 60.283 58.100 -0.003 0.000 1.164 57 Y CB -0.199 38.179 38.460 -0.138 0.000 0.982 57 Y HN 0.231 nan 8.280 nan 0.000 0.515 58 Q N -0.477 119.483 119.800 0.266 0.000 2.084 58 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 58 Q C 2.328 178.390 176.000 0.104 0.000 0.978 58 Q CA 2.121 58.038 55.803 0.189 0.000 0.844 58 Q CB -0.250 28.696 28.738 0.346 0.000 0.898 58 Q HN 0.553 nan 8.270 nan 0.000 0.426 59 M N 0.436 120.086 119.600 0.082 0.000 2.175 59 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 59 M C 1.052 177.278 176.300 -0.124 0.000 1.063 59 M CA 1.020 56.187 55.300 -0.221 0.000 1.119 59 M CB 0.037 32.108 32.600 -0.881 0.000 1.377 59 M HN 0.034 nan 8.290 nan 0.000 0.415 60 D N -0.900 119.527 120.400 0.044 0.000 2.371 60 D HA -0.073 4.567 4.640 -0.000 0.000 0.221 60 D C 0.661 177.022 176.300 0.103 0.000 0.986 60 D CA 1.052 55.156 54.000 0.173 0.000 0.899 60 D CB -0.112 40.767 40.800 0.131 0.000 0.902 60 D HN 0.421 nan 8.370 nan 0.000 0.530 61 H N -1.379 117.623 119.070 -0.115 0.000 2.505 61 H HA 0.344 4.900 4.556 -0.000 0.000 0.286 61 H C 1.484 176.537 175.328 -0.459 0.000 1.072 61 H CA 0.377 56.227 56.048 -0.330 0.000 1.141 61 H CB 0.688 29.993 29.762 -0.762 0.000 1.550 61 H HN 0.101 nan 8.280 nan 0.000 0.547 62 G N -0.005 108.810 108.800 0.025 0.000 2.217 62 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 62 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 62 G C 0.675 175.696 174.900 0.203 0.000 0.990 62 G CA 0.016 45.211 45.100 0.159 0.000 0.627 62 G HN 0.671 nan 8.290 nan 0.000 0.522 63 A N 0.204 123.023 122.820 -0.003 0.000 2.524 63 A HA 0.640 4.960 4.320 -0.000 0.000 0.250 63 A C 1.333 178.933 177.584 0.027 0.000 1.078 63 A CA 0.734 52.722 52.037 -0.081 0.000 0.761 63 A CB 0.231 19.081 19.000 -0.249 0.000 1.012 63 A HN 0.332 nan 8.150 nan 0.000 0.500 64 R N 1.586 122.091 120.500 0.007 0.000 2.521 64 R HA 0.303 4.643 4.340 -0.000 0.000 0.289 64 R C -0.521 175.812 176.300 0.055 0.000 0.936 64 R CA 0.319 56.495 56.100 0.127 0.000 1.089 64 R CB 0.153 30.534 30.300 0.135 0.000 1.348 64 R HN 0.728 nan 8.270 nan 0.000 0.536 65 I N 1.169 121.604 120.570 -0.225 0.000 2.433 65 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 65 I C -0.971 174.919 176.117 -0.379 0.000 1.001 65 I CA -0.763 60.440 61.300 -0.162 0.000 1.119 65 I CB 1.489 39.365 38.000 -0.207 0.000 1.289 65 I HN -0.265 nan 8.210 nan 0.000 0.438 66 F N 3.194 123.170 119.950 0.045 0.000 2.507 66 F HA 0.286 4.813 4.527 -0.000 0.000 0.325 66 F C 0.043 175.822 175.800 -0.036 0.000 1.116 66 F CA -0.887 57.118 58.000 0.010 0.000 0.930 66 F CB 1.467 40.427 39.000 -0.066 0.000 1.146 66 F HN 0.324 nan 8.300 nan 0.000 0.447 67 D N 3.761 124.240 120.400 0.131 0.000 2.456 67 D HA 0.380 5.020 4.640 -0.000 0.000 0.219 67 D C -0.811 175.506 176.300 0.029 0.000 1.126 67 D CA 0.021 54.083 54.000 0.104 0.000 0.890 67 D CB 0.184 41.087 40.800 0.173 0.000 1.025 67 D HN 0.290 nan 8.370 nan 0.000 0.511 68 I N 4.280 124.821 120.570 -0.047 0.000 2.321 68 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 68 I C 0.125 176.203 176.117 -0.064 0.000 0.998 68 I CA -0.636 60.608 61.300 -0.092 0.000 1.227 68 I CB 0.988 38.843 38.000 -0.241 0.000 1.368 68 I HN 0.007 nan 8.210 nan 0.000 0.466 69 R N 5.373 125.853 120.500 -0.032 0.000 2.288 69 R HA 0.648 4.988 4.340 -0.000 0.000 0.326 69 R C -0.019 176.291 176.300 0.017 0.000 0.959 69 R CA -0.590 55.489 56.100 -0.035 0.000 0.834 69 R CB 1.262 31.540 30.300 -0.036 0.000 1.157 69 R HN 0.772 nan 8.270 nan 0.000 0.470 70 G N 1.159 109.977 108.800 0.030 0.000 2.644 70 G HA2 0.677 4.637 3.960 -0.000 0.000 0.307 70 G HA3 0.677 4.637 3.960 -0.000 0.000 0.307 70 G C -0.966 174.000 174.900 0.112 0.000 1.250 70 G CA -0.565 44.604 45.100 0.115 0.000 0.996 70 G HN 0.342 nan 8.290 nan 0.000 0.489 71 R N 0.326 120.895 120.500 0.115 0.000 2.548 71 R HA 0.334 4.674 4.340 -0.000 0.000 0.280 71 R C -1.361 174.982 176.300 0.071 0.000 1.061 71 R CA -0.737 55.371 56.100 0.013 0.000 0.915 71 R CB 1.949 32.025 30.300 -0.374 0.000 1.210 71 R HN 0.476 nan 8.270 nan 0.000 0.442 72 L N 4.184 125.486 121.223 0.132 0.000 2.367 72 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 72 L C 0.376 177.250 176.870 0.007 0.000 1.129 72 L CA 0.203 55.083 54.840 0.066 0.000 0.839 72 L CB 1.325 43.446 42.059 0.102 0.000 1.133 72 L HN 0.873 nan 8.230 nan 0.000 0.453 73 T N -0.904 113.648 114.554 -0.002 0.000 2.889 73 T HA 0.243 4.593 4.350 -0.000 0.000 0.278 73 T C 0.638 175.330 174.700 -0.014 0.000 0.995 73 T CA -0.791 61.296 62.100 -0.022 0.000 0.966 73 T CB 1.180 70.025 68.868 -0.038 0.000 1.237 73 T HN 0.481 nan 8.240 nan 0.000 0.591 74 D N 0.333 120.720 120.400 -0.022 0.000 2.178 74 D HA -0.042 4.598 4.640 -0.000 0.000 0.202 74 D C 1.181 177.477 176.300 -0.008 0.000 0.974 74 D CA 0.971 54.962 54.000 -0.016 0.000 0.841 74 D CB -0.142 40.645 40.800 -0.022 0.000 0.953 74 D HN 0.568 nan 8.370 nan 0.000 0.478 75 D N 0.573 120.970 120.400 -0.005 0.000 2.336 75 D HA -0.025 4.615 4.640 -0.000 0.000 0.229 75 D C 0.079 176.393 176.300 0.023 0.000 1.061 75 D CA 0.053 54.058 54.000 0.009 0.000 0.875 75 D CB -0.006 40.801 40.800 0.012 0.000 0.904 75 D HN 0.139 nan 8.370 nan 0.000 0.525 76 N N 1.165 119.877 118.700 0.020 0.000 2.754 76 N HA -0.129 4.611 4.740 -0.000 0.000 0.248 76 N C -0.130 175.419 175.510 0.064 0.000 1.093 76 N CA 1.179 54.246 53.050 0.029 0.000 0.699 76 N CB -1.643 36.854 38.487 0.017 0.000 1.016 76 N HN 0.400 nan 8.380 nan 0.000 0.552 77 T N -2.594 112.009 114.554 0.080 0.000 2.910 77 T HA 0.812 5.162 4.350 -0.000 0.000 0.287 77 T C 0.256 175.007 174.700 0.085 0.000 1.050 77 T CA -0.808 61.383 62.100 0.151 0.000 1.011 77 T CB 2.409 71.388 68.868 0.185 0.000 1.195 77 T HN 0.118 nan 8.240 nan 0.000 0.540 78 I N 1.954 122.561 120.570 0.061 0.000 2.389 78 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 78 I C -0.124 176.007 176.117 0.023 0.000 0.999 78 I CA -1.169 60.100 61.300 -0.052 0.000 1.129 78 I CB 1.809 39.627 38.000 -0.303 0.000 1.288 78 I HN 0.678 nan 8.210 nan 0.000 0.444 79 V N 4.868 124.841 119.914 0.099 0.000 2.994 79 V HA 0.584 4.704 4.120 -0.000 0.000 0.318 79 V C -0.223 176.013 176.094 0.237 0.000 1.085 79 V CA -1.013 61.416 62.300 0.214 0.000 0.998 79 V CB 1.922 33.947 31.823 0.336 0.000 1.063 79 V HN 0.460 nan 8.190 nan 0.000 0.447 80 L N 2.303 123.672 121.223 0.243 0.000 2.305 80 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 80 L C -0.393 176.631 176.870 0.257 0.000 1.085 80 L CA -0.024 54.928 54.840 0.187 0.000 0.813 80 L CB 0.484 42.609 42.059 0.109 0.000 1.157 80 L HN 0.778 nan 8.230 nan 0.000 0.436 81 H N 0.104 119.201 119.070 0.046 0.000 2.865 81 H HA 0.430 4.986 4.556 -0.000 0.000 0.372 81 H C -1.138 174.194 175.328 0.006 0.000 1.173 81 H CA -0.656 55.407 56.048 0.024 0.000 1.147 81 H CB 1.876 31.637 29.762 -0.001 0.000 1.805 81 H HN 0.524 nan 8.280 nan 0.000 0.553 82 H N 1.474 120.513 119.070 -0.051 0.000 2.953 82 H HA 0.455 5.011 4.556 -0.000 0.000 0.290 82 H C 0.669 175.945 175.328 -0.087 0.000 1.113 82 H CA 0.426 56.436 56.048 -0.063 0.000 1.454 82 H CB -0.209 29.508 29.762 -0.075 0.000 1.525 82 H HN 0.978 nan 8.280 nan 0.000 0.505 83 G N 4.926 113.452 108.800 -0.456 0.000 2.531 83 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.274 83 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.274 83 G C -1.559 173.085 174.900 -0.425 0.000 1.159 83 G CA -0.059 44.804 45.100 -0.395 0.000 0.969 83 G HN 0.600 nan 8.290 nan 0.000 0.554 84 P HA 0.326 nan 4.420 nan 0.000 0.257 84 P C 0.329 177.410 177.300 -0.365 0.000 1.281 84 P CA 0.088 62.724 63.100 -0.774 0.000 0.826 84 P CB 0.234 31.553 31.700 -0.635 0.000 1.237 85 L N 1.237 122.253 121.223 -0.345 0.000 2.278 85 L HA 0.285 4.625 4.340 -0.000 0.000 0.287 85 L C -0.158 176.339 176.870 -0.621 0.000 1.072 85 L CA -1.060 53.593 54.840 -0.312 0.000 0.819 85 L CB -0.032 41.964 42.059 -0.106 0.000 1.176 85 L HN -0.095 nan 8.230 nan 0.000 0.435 86 Y N 4.896 124.789 120.300 -0.679 0.000 2.402 86 Y HA 0.207 4.757 4.550 -0.000 0.000 0.333 86 Y C 0.543 176.290 175.900 -0.254 0.000 1.076 86 Y CA -0.387 57.330 58.100 -0.638 0.000 1.299 86 Y CB 0.699 38.925 38.460 -0.392 0.000 1.197 86 Y HN 0.638 nan 8.280 nan 0.000 0.517 87 L N 6.639 127.540 121.223 -0.538 0.000 2.558 87 L HA -0.020 4.320 4.340 -0.000 0.000 0.225 87 L C -0.127 176.495 176.870 -0.414 0.000 1.128 87 L CA 0.201 54.813 54.840 -0.380 0.000 0.868 87 L CB -0.371 41.542 42.059 -0.243 0.000 1.006 87 L HN 0.852 nan 8.230 nan 0.000 0.454 88 Y N -1.766 117.761 120.300 -1.290 0.000 4.134 88 Y HA -0.193 4.357 4.550 -0.000 0.000 0.234 88 Y C -0.340 175.341 175.900 -0.364 0.000 1.200 88 Y CA -0.102 57.499 58.100 -0.831 0.000 1.958 88 Y CB -1.968 36.222 38.460 -0.451 0.000 1.605 88 Y HN -0.036 nan 8.280 nan 0.000 0.690 89 V N -0.358 119.434 119.914 -0.202 0.000 2.888 89 V HA 0.730 4.850 4.120 -0.000 0.000 0.309 89 V C 0.133 176.323 176.094 0.160 0.000 1.114 89 V CA -0.404 61.916 62.300 0.033 0.000 0.940 89 V CB 2.438 34.256 31.823 -0.009 0.000 1.021 89 V HN 0.262 nan 8.190 nan 0.000 0.426 90 T N 0.855 115.553 114.554 0.239 0.000 2.938 90 T HA 0.559 4.909 4.350 -0.000 0.000 0.285 90 T C 0.908 175.745 174.700 0.228 0.000 1.028 90 T CA -0.617 61.630 62.100 0.244 0.000 1.005 90 T CB 1.604 70.640 68.868 0.279 0.000 1.157 90 T HN 0.408 nan 8.240 nan 0.000 0.550 91 L N -0.181 121.123 121.223 0.136 0.000 2.109 91 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 91 L C 2.566 179.563 176.870 0.211 0.000 1.086 91 L CA 1.559 56.441 54.840 0.070 0.000 0.760 91 L CB -0.638 41.276 42.059 -0.241 0.000 0.910 91 L HN 0.867 nan 8.230 nan 0.000 0.437 92 H N -0.637 118.633 119.070 0.333 0.000 2.352 92 H HA -0.261 4.295 4.556 -0.000 0.000 0.299 92 H C 2.175 177.625 175.328 0.203 0.000 1.097 92 H CA 1.863 58.095 56.048 0.308 0.000 1.311 92 H CB 0.224 30.139 29.762 0.255 0.000 1.377 92 H HN 0.366 nan 8.280 nan 0.000 0.504 93 E N 0.117 120.521 120.200 0.339 0.000 2.085 93 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 93 E C 1.812 178.526 176.600 0.191 0.000 0.994 93 E CA 1.145 57.712 56.400 0.277 0.000 0.801 93 E CB -0.116 29.786 29.700 0.336 0.000 0.743 93 E HN 0.436 nan 8.360 nan 0.000 0.453 94 F N 1.100 121.044 119.950 -0.010 0.000 2.113 94 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 94 F C 1.916 177.567 175.800 -0.249 0.000 1.103 94 F CA 1.421 59.181 58.000 -0.400 0.000 1.248 94 F CB -0.216 38.439 39.000 -0.575 0.000 0.999 94 F HN -0.013 nan 8.300 nan 0.000 0.475 95 I N 0.706 121.197 120.570 -0.132 0.000 2.264 95 I HA -0.352 3.818 4.170 -0.000 0.000 0.248 95 I C 1.905 177.905 176.117 -0.195 0.000 1.111 95 I CA 1.297 62.506 61.300 -0.150 0.000 1.382 95 I CB -0.689 37.421 38.000 0.183 0.000 1.060 95 I HN 0.236 nan 8.210 nan 0.000 0.418 96 N N 0.405 119.057 118.700 -0.080 0.000 2.270 96 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 96 N C 1.771 177.219 175.510 -0.104 0.000 1.016 96 N CA 0.935 53.954 53.050 -0.051 0.000 0.870 96 N CB -0.131 38.374 38.487 0.031 0.000 0.979 96 N HN 0.359 nan 8.380 nan 0.000 0.431 97 E N 1.266 121.355 120.200 -0.185 0.000 2.047 97 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 97 E C 1.941 178.390 176.600 -0.252 0.000 0.987 97 E CA 0.648 56.945 56.400 -0.171 0.000 0.799 97 E CB -0.342 29.257 29.700 -0.167 0.000 0.752 97 E HN 0.269 nan 8.360 nan 0.000 0.449 98 A N 1.644 124.144 122.820 -0.533 0.000 1.908 98 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 98 A C 2.108 179.585 177.584 -0.179 0.000 1.181 98 A CA 1.724 53.485 52.037 -0.460 0.000 0.627 98 A CB -0.376 18.177 19.000 -0.745 0.000 0.818 98 A HN 0.120 nan 8.150 nan 0.000 0.445 99 K N -1.224 119.070 120.400 -0.177 0.000 2.057 99 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 99 K C 2.391 178.958 176.600 -0.054 0.000 1.049 99 K CA 1.645 57.870 56.287 -0.103 0.000 0.931 99 K CB -0.117 32.329 32.500 -0.089 0.000 0.714 99 K HN 0.447 nan 8.250 nan 0.000 0.440 100 Q N 0.233 120.014 119.800 -0.033 0.000 2.119 100 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 100 Q C 1.675 177.684 176.000 0.014 0.000 0.972 100 Q CA 1.353 57.152 55.803 -0.007 0.000 0.847 100 Q CB -0.236 28.510 28.738 0.013 0.000 0.903 100 Q HN 0.282 nan 8.270 nan 0.000 0.433 101 F N -0.318 119.580 119.950 -0.087 0.000 2.146 101 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 101 F C 1.443 177.205 175.800 -0.063 0.000 1.096 101 F CA 1.084 59.045 58.000 -0.064 0.000 1.275 101 F CB -0.012 38.945 39.000 -0.071 0.000 1.008 101 F HN 0.072 nan 8.300 nan 0.000 0.480 102 L N 0.201 121.409 121.223 -0.026 0.000 2.275 102 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 102 L C 2.490 179.271 176.870 -0.149 0.000 1.119 102 L CA 1.186 55.966 54.840 -0.100 0.000 0.790 102 L CB -0.637 41.403 42.059 -0.032 0.000 0.919 102 L HN 0.143 nan 8.230 nan 0.000 0.443 103 K N 0.133 120.457 120.400 -0.126 0.000 2.076 103 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 103 K C 1.440 177.955 176.600 -0.142 0.000 1.051 103 K CA 1.331 57.553 56.287 -0.109 0.000 0.949 103 K CB 0.143 32.599 32.500 -0.074 0.000 0.726 103 K HN 0.197 nan 8.250 nan 0.000 0.443 104 D N 0.706 120.992 120.400 -0.189 0.000 2.183 104 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 104 D C 0.046 176.179 176.300 -0.278 0.000 0.969 104 D CA 0.850 54.726 54.000 -0.206 0.000 0.842 104 D CB 0.108 40.790 40.800 -0.197 0.000 0.957 104 D HN 0.197 nan 8.370 nan 0.000 0.484 105 N N 0.922 119.368 118.700 -0.423 0.000 2.791 105 N HA 0.112 4.851 4.740 -0.000 0.000 0.265 105 N C -2.133 173.199 175.510 -0.298 0.000 1.580 105 N CA -0.893 51.911 53.050 -0.410 0.000 0.809 105 N CB 2.140 40.222 38.487 -0.676 0.000 1.178 105 N HN 0.044 nan 8.380 nan 0.000 0.499 106 P HA -0.124 nan 4.420 nan 0.000 0.226 106 P C 1.164 178.404 177.300 -0.100 0.000 1.146 106 P CA 1.027 64.052 63.100 -0.125 0.000 0.773 106 P CB 0.305 31.948 31.700 -0.095 0.000 0.772 107 S N -2.230 113.405 115.700 -0.109 0.000 2.489 107 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 107 S C 0.989 175.524 174.600 -0.108 0.000 0.995 107 S CA 0.061 58.206 58.200 -0.091 0.000 0.934 107 S CB -0.415 62.736 63.200 -0.082 0.000 0.771 107 S HN 0.077 nan 8.310 nan 0.000 0.522 108 E N 1.083 121.214 120.200 -0.116 0.000 2.359 108 E HA 0.587 4.937 4.350 -0.000 0.000 0.255 108 E C -0.299 176.278 176.600 -0.038 0.000 1.191 108 E CA -0.193 56.149 56.400 -0.097 0.000 0.952 108 E CB 0.815 30.518 29.700 0.006 0.000 1.152 108 E HN 0.199 nan 8.360 nan 0.000 0.496 109 T N -0.504 114.045 114.554 -0.009 0.000 2.885 109 T HA 0.557 4.907 4.350 -0.000 0.000 0.322 109 T C -1.586 173.158 174.700 0.073 0.000 1.387 109 T CA -0.750 61.367 62.100 0.028 0.000 1.041 109 T CB 0.696 69.571 68.868 0.012 0.000 1.287 109 T HN 0.444 nan 8.240 nan 0.000 0.491 110 I N 1.879 122.512 120.570 0.105 0.000 2.569 110 I HA 0.773 4.943 4.170 -0.000 0.000 0.296 110 I C -1.368 174.866 176.117 0.194 0.000 1.028 110 I CA -0.896 60.509 61.300 0.174 0.000 1.082 110 I CB 1.707 39.819 38.000 0.188 0.000 1.264 110 I HN 0.613 nan 8.210 nan 0.000 0.429 111 I N 6.766 127.463 120.570 0.211 0.000 2.339 111 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 111 I C -0.278 176.012 176.117 0.288 0.000 0.994 111 I CA -0.445 60.979 61.300 0.206 0.000 1.191 111 I CB 1.582 39.603 38.000 0.035 0.000 1.343 111 I HN 0.646 nan 8.210 nan 0.000 0.458 112 M N 6.432 126.219 119.600 0.313 0.000 2.149 112 M HA 0.361 4.841 4.480 -0.000 0.000 0.342 112 M C -0.577 175.843 176.300 0.200 0.000 1.068 112 M CA -0.148 55.308 55.300 0.261 0.000 0.991 112 M CB 1.402 34.193 32.600 0.319 0.000 1.596 112 M HN 0.558 nan 8.290 nan 0.000 0.439 113 S N 5.896 121.675 115.700 0.132 0.000 2.457 113 S HA 0.556 5.026 4.470 -0.000 0.000 0.289 113 S C -1.062 173.541 174.600 0.004 0.000 1.163 113 S CA -0.808 57.455 58.200 0.105 0.000 1.078 113 S CB 0.770 64.057 63.200 0.145 0.000 0.987 113 S HN 0.818 nan 8.310 nan 0.000 0.482 114 L N 5.351 126.560 121.223 -0.022 0.000 2.356 114 L HA 0.643 4.983 4.340 -0.000 0.000 0.277 114 L C -0.808 176.051 176.870 -0.019 0.000 0.996 114 L CA -0.458 54.339 54.840 -0.071 0.000 0.822 114 L CB 1.563 43.490 42.059 -0.219 0.000 1.256 114 L HN 0.779 nan 8.230 nan 0.000 0.413 115 K N 4.584 124.941 120.400 -0.071 0.000 2.468 115 K HA 0.293 4.613 4.320 -0.000 0.000 0.252 115 K C -0.999 175.442 176.600 -0.264 0.000 0.932 115 K CA -0.781 55.411 56.287 -0.159 0.000 0.794 115 K CB 2.213 34.578 32.500 -0.225 0.000 1.241 115 K HN 0.533 nan 8.250 nan 0.000 0.428 116 K N 3.121 123.204 120.400 -0.528 0.000 2.338 116 K HA -0.020 4.300 4.320 -0.000 0.000 0.290 116 K C 0.320 176.662 176.600 -0.429 0.000 1.069 116 K CA 0.197 55.958 56.287 -0.876 0.000 0.941 116 K CB 0.918 32.681 32.500 -1.229 0.000 1.023 116 K HN 0.591 nan 8.250 nan 0.000 0.477 117 E N 3.858 123.894 120.200 -0.273 0.000 2.318 117 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 117 E C -1.040 175.560 176.600 -0.001 0.000 0.998 117 E CA 0.776 57.100 56.400 -0.127 0.000 0.859 117 E CB 0.164 29.834 29.700 -0.050 0.000 0.812 117 E HN 0.573 nan 8.360 nan 0.000 0.492 118 Y N -0.138 120.015 120.300 -0.245 0.000 2.638 118 Y HA 0.195 4.745 4.550 -0.000 0.000 0.335 118 Y C -1.402 174.371 175.900 -0.211 0.000 1.155 118 Y CA -1.749 56.229 58.100 -0.203 0.000 1.046 118 Y CB 1.081 39.426 38.460 -0.193 0.000 1.303 118 Y HN -0.003 nan 8.280 nan 0.000 0.460 119 E N 2.098 121.955 120.200 -0.571 0.000 2.392 119 E HA 0.140 4.490 4.350 -0.000 0.000 0.264 119 E C -0.914 175.545 176.600 -0.235 0.000 1.024 119 E CA -0.536 55.629 56.400 -0.392 0.000 0.903 119 E CB 0.481 29.920 29.700 -0.435 0.000 0.963 119 E HN 0.367 nan 8.360 nan 0.000 0.432 120 D N 2.990 123.309 120.400 -0.134 0.000 2.443 120 D HA -0.035 4.605 4.640 -0.000 0.000 0.234 120 D C 0.362 176.625 176.300 -0.063 0.000 1.172 120 D CA 0.578 54.543 54.000 -0.059 0.000 0.878 120 D CB 0.398 41.187 40.800 -0.019 0.000 1.204 120 D HN 0.481 nan 8.370 nan 0.000 0.453 121 M N 1.740 121.319 119.600 -0.035 0.000 2.240 121 M HA -0.020 4.460 4.480 -0.000 0.000 0.333 121 M C 1.708 177.991 176.300 -0.028 0.000 1.110 121 M CA -0.508 54.775 55.300 -0.028 0.000 1.173 121 M CB 0.761 33.348 32.600 -0.022 0.000 1.458 121 M HN 0.167 nan 8.290 nan 0.000 0.458 122 K N 1.783 122.168 120.400 -0.026 0.000 2.015 122 K HA -0.153 4.167 4.320 -0.000 0.000 0.216 122 K C 1.648 178.238 176.600 -0.018 0.000 1.052 122 K CA 2.058 58.331 56.287 -0.024 0.000 0.937 122 K CB -1.399 31.089 32.500 -0.020 0.000 0.719 122 K HN 0.995 nan 8.250 nan 0.000 0.446 123 G N 1.281 110.072 108.800 -0.015 0.000 2.776 123 G HA2 0.128 4.088 3.960 -0.000 0.000 0.209 123 G HA3 0.128 4.088 3.960 -0.000 0.000 0.209 123 G C 0.442 175.337 174.900 -0.009 0.000 1.145 123 G CA 0.374 45.467 45.100 -0.012 0.000 0.791 123 G HN 0.452 nan 8.290 nan 0.000 0.530 124 A N 0.037 122.851 122.820 -0.009 0.000 2.498 124 A HA 0.344 4.664 4.320 -0.000 0.000 0.239 124 A C 1.157 178.739 177.584 -0.004 0.000 1.068 124 A CA 0.133 52.167 52.037 -0.005 0.000 0.766 124 A CB 0.476 19.476 19.000 -0.001 0.000 1.003 124 A HN 0.427 nan 8.150 nan 0.000 0.497 125 E N 0.498 120.696 120.200 -0.002 0.000 2.060 125 E HA -0.053 4.297 4.350 -0.000 0.000 0.189 125 E C 0.032 176.631 176.600 -0.001 0.000 0.974 125 E CA 0.629 57.028 56.400 -0.002 0.000 0.808 125 E CB 0.163 29.861 29.700 -0.003 0.000 0.768 125 E HN 0.804 nan 8.360 nan 0.000 0.453 126 D N -0.240 120.160 120.400 0.000 0.000 2.592 126 D HA 0.164 4.804 4.640 -0.000 0.000 0.259 126 D C -0.373 175.933 176.300 0.010 0.000 1.144 126 D CA -0.380 53.622 54.000 0.003 0.000 1.080 126 D CB 1.451 42.250 40.800 -0.002 0.000 1.225 126 D HN -0.033 nan 8.370 nan 0.000 0.619 127 S N -0.572 115.139 115.700 0.018 0.000 2.669 127 S HA 0.159 4.629 4.470 -0.000 0.000 0.270 127 S C 1.296 175.925 174.600 0.048 0.000 1.225 127 S CA -0.598 57.629 58.200 0.044 0.000 0.991 127 S CB 0.626 63.858 63.200 0.053 0.000 0.987 127 S HN 0.480 nan 8.310 nan 0.000 0.552 128 F N 1.986 121.897 119.950 -0.066 0.000 2.095 128 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 128 F C 2.685 178.398 175.800 -0.144 0.000 1.104 128 F CA 2.351 60.285 58.000 -0.109 0.000 1.232 128 F CB -0.769 38.145 39.000 -0.144 0.000 0.987 128 F HN 0.758 nan 8.300 nan 0.000 0.475 129 S N -1.020 114.692 115.700 0.020 0.000 2.368 129 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 129 S C 2.147 176.708 174.600 -0.066 0.000 1.029 129 S CA 1.296 59.434 58.200 -0.104 0.000 0.988 129 S CB -0.934 62.344 63.200 0.130 0.000 0.838 129 S HN 0.375 nan 8.310 nan 0.000 0.462 130 S N 1.712 117.401 115.700 -0.018 0.000 2.356 130 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 130 S C 2.108 176.682 174.600 -0.044 0.000 1.032 130 S CA 1.685 59.878 58.200 -0.011 0.000 1.005 130 S CB -0.933 62.270 63.200 0.005 0.000 0.867 130 S HN 0.744 nan 8.310 nan 0.000 0.449 131 T N 1.788 116.301 114.554 -0.068 0.000 2.746 131 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 131 T C 1.454 176.149 174.700 -0.008 0.000 1.039 131 T CA 1.250 63.321 62.100 -0.047 0.000 1.142 131 T CB -0.422 68.412 68.868 -0.058 0.000 0.866 131 T HN 0.443 nan 8.240 nan 0.000 0.444 132 F N 2.120 121.900 119.950 -0.283 0.000 2.113 132 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 132 F C 2.177 177.943 175.800 -0.056 0.000 1.103 132 F CA 1.277 59.110 58.000 -0.278 0.000 1.248 132 F CB -0.327 38.251 39.000 -0.703 0.000 0.999 132 F HN 0.151 nan 8.300 nan 0.000 0.475 133 E N -0.119 119.869 120.200 -0.353 0.000 2.208 133 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 133 E C 2.017 178.525 176.600 -0.154 0.000 0.988 133 E CA 0.891 57.120 56.400 -0.283 0.000 0.828 133 E CB -0.034 29.661 29.700 -0.008 0.000 0.763 133 E HN 0.461 nan 8.360 nan 0.000 0.478 134 K N 0.450 120.785 120.400 -0.108 0.000 2.186 134 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 134 K C 1.735 178.272 176.600 -0.106 0.000 1.052 134 K CA 0.668 56.907 56.287 -0.079 0.000 0.965 134 K CB 0.296 32.766 32.500 -0.050 0.000 0.746 134 K HN -0.069 nan 8.250 nan 0.000 0.457 135 K N -0.832 119.492 120.400 -0.128 0.000 2.354 135 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 135 K C 0.840 177.200 176.600 -0.400 0.000 1.045 135 K CA 0.594 56.733 56.287 -0.247 0.000 1.026 135 K CB 0.541 32.859 32.500 -0.303 0.000 0.866 135 K HN 0.123 nan 8.250 nan 0.000 0.530 136 Y N -1.334 118.816 120.300 -0.250 0.000 2.886 136 Y HA 0.083 4.633 4.550 -0.000 0.000 0.244 136 Y C 1.767 177.484 175.900 -0.305 0.000 1.017 136 Y CA -0.579 57.389 58.100 -0.219 0.000 1.389 136 Y CB -0.462 37.853 38.460 -0.242 0.000 1.477 136 Y HN -0.181 nan 8.280 nan 0.000 0.466 137 F N 0.600 120.014 119.950 -0.894 0.000 2.287 137 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 137 F C 2.026 177.615 175.800 -0.352 0.000 1.069 137 F CA 0.719 58.106 58.000 -1.021 0.000 1.372 137 F CB -0.432 37.950 39.000 -1.030 0.000 1.056 137 F HN -0.089 nan 8.300 nan 0.000 0.523 138 V N -0.118 119.665 119.914 -0.219 0.000 3.141 138 V HA -0.145 3.975 4.120 -0.000 0.000 0.265 138 V C 0.752 176.804 176.094 -0.069 0.000 1.126 138 V CA 0.932 63.130 62.300 -0.169 0.000 1.141 138 V CB -0.758 30.999 31.823 -0.111 0.000 0.743 138 V HN 0.136 nan 8.190 nan 0.000 0.492 139 D N 0.069 120.512 120.400 0.071 0.000 2.424 139 D HA 0.049 4.689 4.640 -0.000 0.000 0.244 139 D C -1.624 174.746 176.300 0.117 0.000 1.134 139 D CA -1.594 52.489 54.000 0.139 0.000 0.881 139 D CB 1.803 42.765 40.800 0.270 0.000 1.191 139 D HN 0.143 nan 8.370 nan 0.000 0.445 140 P HA -0.094 nan 4.420 nan 0.000 0.223 140 P C 1.392 178.688 177.300 -0.007 0.000 1.144 140 P CA 0.815 63.914 63.100 -0.001 0.000 0.783 140 P CB -0.125 31.566 31.700 -0.015 0.000 0.771 141 I N -6.111 114.439 120.570 -0.034 0.000 2.614 141 I HA -0.041 4.129 4.170 -0.000 0.000 0.258 141 I C 0.363 176.380 176.117 -0.166 0.000 1.189 141 I CA 0.678 61.895 61.300 -0.138 0.000 1.462 141 I CB -0.722 37.122 38.000 -0.259 0.000 1.092 141 I HN -0.297 nan 8.210 nan 0.000 0.442 142 F N 2.553 122.512 119.950 0.015 0.000 2.438 142 F HA 0.369 4.896 4.527 -0.000 0.000 0.356 142 F C 0.412 176.210 175.800 -0.004 0.000 1.099 142 F CA -0.538 57.500 58.000 0.062 0.000 1.185 142 F CB 0.775 39.805 39.000 0.051 0.000 1.115 142 F HN -0.049 nan 8.300 nan 0.000 0.526 143 L N 5.311 126.681 121.223 0.244 0.000 2.455 143 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 143 L C 0.693 177.658 176.870 0.158 0.000 1.174 143 L CA -0.117 54.812 54.840 0.148 0.000 0.869 143 L CB 0.579 42.718 42.059 0.134 0.000 1.130 143 L HN 0.609 nan 8.230 nan 0.000 0.474 144 K N 2.219 122.660 120.400 0.070 0.000 2.399 144 K HA 0.155 4.475 4.320 -0.000 0.000 0.204 144 K C 0.303 176.951 176.600 0.079 0.000 1.023 144 K CA 0.004 56.328 56.287 0.061 0.000 1.127 144 K CB 0.253 32.732 32.500 -0.035 0.000 0.856 144 K HN 0.683 nan 8.250 nan 0.000 0.514 145 T N -1.693 112.902 114.554 0.068 0.000 2.922 145 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 145 T C 0.278 175.002 174.700 0.040 0.000 1.005 145 T CA -0.637 61.492 62.100 0.049 0.000 1.061 145 T CB 2.128 71.016 68.868 0.033 0.000 1.007 145 T HN -0.011 nan 8.240 nan 0.000 0.502 146 E N -0.017 120.203 120.200 0.034 0.000 2.586 146 E HA 0.685 5.035 4.350 -0.000 0.000 0.232 146 E C 0.615 177.221 176.600 0.011 0.000 0.854 146 E CA -0.897 55.512 56.400 0.016 0.000 0.938 146 E CB 0.992 30.724 29.700 0.052 0.000 1.518 146 E HN 1.131 nan 8.360 nan 0.000 0.400 147 G N 1.111 109.930 108.800 0.032 0.000 2.632 147 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.224 147 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.224 147 G C -0.504 174.439 174.900 0.072 0.000 1.341 147 G CA -0.109 45.023 45.100 0.052 0.000 0.880 147 G HN 0.593 nan 8.290 nan 0.000 0.566 148 N N 0.653 119.407 118.700 0.089 0.000 3.050 148 N HA 0.294 5.034 4.740 -0.000 0.000 0.289 148 N C 0.835 176.420 175.510 0.125 0.000 1.209 148 N CA -0.438 52.693 53.050 0.136 0.000 1.154 148 N CB -0.424 38.127 38.487 0.107 0.000 1.444 148 N HN 0.467 nan 8.380 nan 0.000 0.529 149 I N 2.992 123.623 120.570 0.102 0.000 2.906 149 I HA -0.186 3.984 4.170 -0.000 0.000 0.301 149 I C 0.601 176.804 176.117 0.144 0.000 1.221 149 I CA 0.693 62.040 61.300 0.078 0.000 1.435 149 I CB 0.123 38.108 38.000 -0.025 0.000 1.345 149 I HN 0.256 nan 8.210 nan 0.000 0.558 150 K N 5.894 126.358 120.400 0.106 0.000 2.123 150 K HA 0.277 4.597 4.320 -0.000 0.000 0.248 150 K C 0.644 177.301 176.600 0.095 0.000 0.969 150 K CA -0.949 55.404 56.287 0.109 0.000 0.882 150 K CB 1.586 34.136 32.500 0.083 0.000 1.080 150 K HN 0.311 nan 8.250 nan 0.000 0.441 151 L N 2.382 123.661 121.223 0.094 0.000 2.081 151 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 151 L C 1.992 178.885 176.870 0.038 0.000 1.080 151 L CA 2.352 57.230 54.840 0.064 0.000 0.754 151 L CB -1.036 41.055 42.059 0.054 0.000 0.893 151 L HN 1.017 nan 8.230 nan 0.000 0.433 152 G N -1.347 107.476 108.800 0.039 0.000 2.422 152 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 152 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 152 G C 1.172 176.086 174.900 0.023 0.000 1.146 152 G CA 0.917 46.033 45.100 0.026 0.000 0.769 152 G HN 0.454 nan 8.290 nan 0.000 0.547 153 D N 0.483 120.903 120.400 0.033 0.000 2.277 153 D HA 0.151 4.791 4.640 -0.000 0.000 0.208 153 D C 2.533 178.851 176.300 0.031 0.000 0.962 153 D CA 0.904 54.922 54.000 0.030 0.000 0.865 153 D CB -0.092 40.730 40.800 0.035 0.000 0.939 153 D HN 0.336 nan 8.370 nan 0.000 0.510 154 A N 0.379 123.221 122.820 0.037 0.000 2.081 154 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 154 A C 1.049 178.644 177.584 0.019 0.000 1.158 154 A CA -0.061 51.999 52.037 0.040 0.000 0.724 154 A CB -0.080 18.956 19.000 0.061 0.000 0.826 154 A HN 0.035 nan 8.150 nan 0.000 0.463 155 R N -0.474 120.028 120.500 0.003 0.000 2.504 155 R HA 0.263 4.603 4.340 -0.000 0.000 0.291 155 R C 1.290 177.578 176.300 -0.020 0.000 0.974 155 R CA 0.794 56.884 56.100 -0.017 0.000 1.077 155 R CB -0.123 30.162 30.300 -0.025 0.000 0.926 155 R HN 0.676 nan 8.270 nan 0.000 0.407 156 G N 1.764 110.547 108.800 -0.029 0.000 2.205 156 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 156 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 156 G C 0.050 174.928 174.900 -0.036 0.000 0.980 156 G CA 0.253 45.331 45.100 -0.038 0.000 0.632 156 G HN 0.459 nan 8.290 nan 0.000 0.533 157 K N -0.225 120.163 120.400 -0.020 0.000 2.280 157 K HA 0.761 5.081 4.320 -0.000 0.000 0.234 157 K C 0.092 176.683 176.600 -0.016 0.000 1.028 157 K CA -0.920 55.351 56.287 -0.027 0.000 0.882 157 K CB 1.583 34.087 32.500 0.006 0.000 1.194 157 K HN 0.203 nan 8.250 nan 0.000 0.458 158 I N 1.475 122.014 120.570 -0.051 0.000 2.377 158 I HA 0.218 4.387 4.170 -0.000 0.000 0.293 158 I C -0.451 175.781 176.117 0.191 0.000 0.987 158 I CA -1.114 60.189 61.300 0.004 0.000 1.185 158 I CB 1.794 39.660 38.000 -0.223 0.000 1.341 158 I HN 0.006 nan 8.210 nan 0.000 0.455 159 V N 7.057 127.119 119.914 0.247 0.000 2.370 159 V HA 0.340 4.460 4.120 -0.000 0.000 0.283 159 V C 0.152 176.479 176.094 0.388 0.000 1.023 159 V CA -0.619 61.862 62.300 0.301 0.000 0.857 159 V CB 1.857 33.820 31.823 0.233 0.000 0.985 159 V HN 0.521 nan 8.190 nan 0.000 0.443 160 L N 5.339 126.823 121.223 0.435 0.000 2.350 160 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 160 L C -0.577 176.515 176.870 0.369 0.000 1.099 160 L CA -0.406 54.664 54.840 0.384 0.000 0.808 160 L CB 1.404 43.644 42.059 0.301 0.000 1.149 160 L HN 0.460 nan 8.230 nan 0.000 0.442 161 L N 5.229 126.647 121.223 0.324 0.000 2.353 161 L HA 0.359 4.699 4.340 -0.000 0.000 0.270 161 L C -0.715 176.234 176.870 0.132 0.000 1.003 161 L CA -0.539 54.514 54.840 0.356 0.000 0.862 161 L CB 1.305 43.597 42.059 0.388 0.000 1.221 161 L HN 0.637 nan 8.230 nan 0.000 0.430 162 K N 5.171 125.578 120.400 0.012 0.000 2.349 162 K HA 0.288 4.608 4.320 -0.000 0.000 0.288 162 K C 0.299 176.700 176.600 -0.331 0.000 1.058 162 K CA 0.015 56.122 56.287 -0.300 0.000 0.953 162 K CB 1.140 33.308 32.500 -0.553 0.000 0.997 162 K HN 0.489 nan 8.250 nan 0.000 0.477 163 R N 2.723 123.037 120.500 -0.309 0.000 2.662 163 R HA 0.108 4.448 4.340 -0.000 0.000 0.396 163 R C -0.909 175.263 176.300 -0.214 0.000 1.096 163 R CA -0.368 55.531 56.100 -0.335 0.000 1.081 163 R CB 0.290 30.342 30.300 -0.412 0.000 1.382 163 R HN 0.577 nan 8.270 nan 0.000 0.580 164 Y N -3.085 117.117 120.300 -0.163 0.000 2.545 164 Y HA 0.403 4.953 4.550 -0.000 0.000 0.348 164 Y C 0.799 176.665 175.900 -0.057 0.000 1.002 164 Y CA -1.315 56.713 58.100 -0.121 0.000 1.039 164 Y CB 1.216 39.661 38.460 -0.026 0.000 1.271 164 Y HN -0.086 nan 8.280 nan 0.000 0.467 165 S N -0.463 115.310 115.700 0.122 0.000 2.535 165 S HA 0.173 4.643 4.470 -0.000 0.000 0.214 165 S C 1.445 176.131 174.600 0.142 0.000 0.980 165 S CA 0.225 58.466 58.200 0.068 0.000 0.907 165 S CB -0.170 63.049 63.200 0.032 0.000 0.790 165 S HN 1.061 nan 8.310 nan 0.000 0.510 166 G N 1.379 110.349 108.800 0.284 0.000 2.650 166 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 166 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 166 G C 0.469 175.502 174.900 0.222 0.000 1.136 166 G CA 0.129 45.362 45.100 0.221 0.000 0.789 166 G HN 0.534 nan 8.290 nan 0.000 0.536 167 S N 0.293 116.176 115.700 0.306 0.000 2.806 167 S HA -0.087 4.383 4.470 -0.000 0.000 0.334 167 S C 1.081 175.769 174.600 0.145 0.000 1.226 167 S CA 0.415 58.761 58.200 0.244 0.000 1.017 167 S CB 0.149 63.414 63.200 0.109 0.000 0.712 167 S HN 0.439 nan 8.310 nan 0.000 0.491 168 N N 1.564 120.352 118.700 0.146 0.000 2.067 168 N HA 0.109 4.849 4.740 -0.000 0.000 0.227 168 N C -1.043 174.544 175.510 0.129 0.000 1.348 168 N CA -0.162 52.956 53.050 0.113 0.000 0.879 168 N CB 0.605 39.148 38.487 0.093 0.000 1.109 168 N HN 0.552 nan 8.380 nan 0.000 0.501 169 E N 1.781 122.089 120.200 0.181 0.000 2.151 169 E HA 0.412 4.762 4.350 -0.000 0.000 0.275 169 E C -2.423 174.356 176.600 0.298 0.000 0.936 169 E CA -1.821 54.731 56.400 0.253 0.000 0.777 169 E CB 1.957 31.903 29.700 0.409 0.000 1.108 169 E HN 0.006 nan 8.360 nan 0.000 0.401 170 P HA 0.310 nan 4.420 nan 0.000 0.269 170 P C -0.429 177.063 177.300 0.321 0.000 1.209 170 P CA 0.048 63.272 63.100 0.206 0.000 0.776 170 P CB 0.696 32.473 31.700 0.128 0.000 0.876 171 G N 0.198 109.165 108.800 0.278 0.000 2.462 171 G HA2 0.494 4.454 3.960 -0.000 0.000 0.424 171 G HA3 0.494 4.454 3.960 -0.000 0.000 0.424 171 G C -0.195 174.874 174.900 0.282 0.000 1.573 171 G CA 0.289 45.608 45.100 0.365 0.000 0.913 171 G HN 0.823 nan 8.290 nan 0.000 0.672 172 G N 0.522 109.422 108.800 0.167 0.000 2.569 172 G HA2 0.061 4.021 3.960 -0.000 0.000 0.259 172 G HA3 0.061 4.021 3.960 -0.000 0.000 0.259 172 G C -0.176 174.689 174.900 -0.058 0.000 1.263 172 G CA 0.371 45.492 45.100 0.034 0.000 0.928 172 G HN 1.752 nan 8.290 nan 0.000 0.572 173 Y N 2.033 122.464 120.300 0.219 0.000 2.350 173 Y HA 0.419 4.968 4.550 -0.000 0.000 0.340 173 Y C 1.232 177.237 175.900 0.176 0.000 1.006 173 Y CA -0.728 57.507 58.100 0.225 0.000 1.166 173 Y CB 0.746 39.392 38.460 0.310 0.000 1.168 173 Y HN 0.466 nan 8.280 nan 0.000 0.502 174 N N 1.707 120.590 118.700 0.305 0.000 2.371 174 N HA -0.056 4.684 4.740 -0.000 0.000 0.243 174 N C -0.236 175.395 175.510 0.202 0.000 1.287 174 N CA -0.208 52.952 53.050 0.183 0.000 0.911 174 N CB 0.394 38.973 38.487 0.154 0.000 1.142 174 N HN 0.622 nan 8.380 nan 0.000 0.451 175 N N 0.094 118.808 118.700 0.023 0.000 2.497 175 N HA 0.167 4.907 4.740 -0.000 0.000 0.268 175 N C -1.282 174.304 175.510 0.127 0.000 1.171 175 N CA 0.056 53.064 53.050 -0.071 0.000 0.948 175 N CB 0.028 38.416 38.487 -0.165 0.000 1.069 175 N HN 0.359 nan 8.380 nan 0.000 0.460 176 F N 2.323 122.383 119.950 0.184 0.000 2.629 176 F HA 0.434 4.961 4.527 -0.000 0.000 0.316 176 F C 0.956 176.934 175.800 0.297 0.000 1.081 176 F CA -1.205 56.924 58.000 0.215 0.000 0.954 176 F CB 0.075 39.202 39.000 0.212 0.000 1.337 176 F HN 0.318 nan 8.300 nan 0.000 0.474 177 Y N 1.510 122.016 120.300 0.343 0.000 1.603 177 Y HA -0.334 4.216 4.550 -0.000 0.000 0.158 177 Y C 0.998 176.982 175.900 0.141 0.000 0.905 177 Y CA 2.388 60.581 58.100 0.154 0.000 0.786 177 Y CB -0.615 37.880 38.460 0.057 0.000 0.711 177 Y HN 0.762 nan 8.280 nan 0.000 0.640 178 W N 1.504 122.486 121.300 -0.530 0.000 4.604 178 W HA -0.145 4.515 4.660 -0.000 0.000 0.427 178 W C -2.564 173.378 176.519 -0.961 0.000 1.691 178 W CA -0.250 56.632 57.345 -0.772 0.000 0.823 178 W CB -1.764 27.591 29.460 -0.175 0.000 2.911 178 W HN 0.275 nan 8.180 nan 0.000 1.126 179 P HA 0.065 nan 4.420 nan 0.000 0.271 179 P C 0.050 177.246 177.300 -0.172 0.000 1.218 179 P CA 0.298 62.974 63.100 -0.706 0.000 0.780 179 P CB 0.843 32.081 31.700 -0.770 0.000 0.901 180 D N 2.115 122.490 120.400 -0.042 0.000 2.389 180 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 180 D C 0.664 177.008 176.300 0.072 0.000 1.128 180 D CA 0.303 54.358 54.000 0.093 0.000 0.884 180 D CB -0.065 40.789 40.800 0.089 0.000 1.194 180 D HN 0.346 nan 8.370 nan 0.000 0.441 181 N N 1.689 120.466 118.700 0.128 0.000 2.727 181 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 181 N C -1.605 173.860 175.510 -0.075 0.000 1.040 181 N CA 1.619 54.582 53.050 -0.145 0.000 0.712 181 N CB -0.816 37.416 38.487 -0.424 0.000 0.912 181 N HN 0.694 nan 8.380 nan 0.000 0.545 182 E N -3.091 117.136 120.200 0.046 0.000 2.427 182 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 182 E C -1.067 175.620 176.600 0.144 0.000 1.120 182 E CA -0.862 55.573 56.400 0.058 0.000 0.869 182 E CB 0.343 30.068 29.700 0.041 0.000 1.393 182 E HN 0.112 nan 8.360 nan 0.000 0.443 183 T N 0.199 114.810 114.554 0.094 0.000 2.829 183 T HA 0.709 5.059 4.350 -0.000 0.000 0.282 183 T C -0.673 174.102 174.700 0.125 0.000 0.990 183 T CA -0.380 61.745 62.100 0.042 0.000 1.028 183 T CB 0.193 69.046 68.868 -0.024 0.000 0.951 183 T HN 0.509 nan 8.240 nan 0.000 0.460 184 F N 0.118 120.011 119.950 -0.095 0.000 2.789 184 F HA 0.805 5.332 4.527 -0.000 0.000 0.319 184 F C -0.943 174.797 175.800 -0.099 0.000 1.168 184 F CA -1.075 56.874 58.000 -0.085 0.000 0.934 184 F CB 1.501 40.438 39.000 -0.106 0.000 1.375 184 F HN 0.610 nan 8.300 nan 0.000 0.480 185 T N 0.481 115.079 114.554 0.074 0.000 3.071 185 T HA 0.710 5.060 4.350 -0.000 0.000 0.311 185 T C -1.057 173.689 174.700 0.076 0.000 1.042 185 T CA 0.078 62.138 62.100 -0.068 0.000 1.028 185 T CB 1.134 69.972 68.868 -0.051 0.000 1.068 185 T HN 1.074 nan 8.240 nan 0.000 0.451 186 T N 1.779 116.313 114.554 -0.033 0.000 2.565 186 T HA 0.694 5.043 4.350 -0.000 0.000 0.266 186 T C -0.434 174.145 174.700 -0.202 0.000 0.905 186 T CA -0.784 61.309 62.100 -0.012 0.000 1.122 186 T CB 1.228 70.193 68.868 0.162 0.000 1.437 186 T HN 0.619 nan 8.240 nan 0.000 0.506 187 T N 0.299 114.757 114.554 -0.161 0.000 2.863 187 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 187 T C 0.494 175.078 174.700 -0.194 0.000 1.009 187 T CA -0.603 61.381 62.100 -0.193 0.000 0.989 187 T CB 0.985 69.798 68.868 -0.092 0.000 1.004 187 T HN 0.399 nan 8.240 nan 0.000 0.455 188 V N 4.595 124.384 119.914 -0.209 0.000 2.686 188 V HA 0.296 4.416 4.120 -0.000 0.000 0.213 188 V C 1.423 177.551 176.094 0.056 0.000 1.163 188 V CA 0.214 62.474 62.300 -0.066 0.000 1.208 188 V CB -0.984 30.814 31.823 -0.041 0.000 0.840 188 V HN 0.796 nan 8.190 nan 0.000 0.505 189 N N 0.469 119.205 118.700 0.060 0.000 2.592 189 N HA 0.204 4.944 4.740 -0.000 0.000 0.290 189 N C 1.144 176.671 175.510 0.028 0.000 1.364 189 N CA 0.237 53.328 53.050 0.068 0.000 0.878 189 N CB -0.081 38.459 38.487 0.088 0.000 1.104 189 N HN 0.581 nan 8.380 nan 0.000 0.485 190 Q N -0.458 119.359 119.800 0.028 0.000 2.354 190 Q HA 0.054 4.394 4.340 -0.000 0.000 0.203 190 Q C -0.593 175.408 176.000 0.000 0.000 0.933 190 Q CA 0.993 56.804 55.803 0.013 0.000 0.901 190 Q CB -0.430 28.320 28.738 0.020 0.000 1.007 190 Q HN 0.614 nan 8.270 nan 0.000 0.495 191 N N 0.148 118.852 118.700 0.006 0.000 2.886 191 N HA 0.610 5.350 4.740 -0.000 0.000 0.285 191 N C -1.091 174.406 175.510 -0.022 0.000 1.706 191 N CA -0.264 52.784 53.050 -0.003 0.000 0.904 191 N CB 1.555 40.052 38.487 0.017 0.000 1.224 191 N HN 0.286 nan 8.380 nan 0.000 0.488 192 A N 0.895 123.671 122.820 -0.073 0.000 2.586 192 A HA 0.447 4.767 4.320 -0.000 0.000 0.298 192 A C -1.896 175.526 177.584 -0.270 0.000 1.013 192 A CA -0.938 51.008 52.037 -0.150 0.000 0.707 192 A CB 0.860 19.799 19.000 -0.102 0.000 1.276 192 A HN 0.493 nan 8.150 nan 0.000 0.414 193 N N -0.836 117.589 118.700 -0.459 0.000 2.292 193 N HA 0.762 5.502 4.740 -0.000 0.000 0.303 193 N C -1.153 173.820 175.510 -0.895 0.000 1.140 193 N CA -0.532 52.115 53.050 -0.672 0.000 0.788 193 N CB 2.451 40.413 38.487 -0.873 0.000 1.361 193 N HN 0.637 nan 8.380 nan 0.000 0.489 194 V N -0.133 119.307 119.914 -0.790 0.000 2.709 194 V HA 0.603 4.722 4.120 -0.000 0.000 0.308 194 V C -0.585 175.148 176.094 -0.602 0.000 1.062 194 V CA -0.726 61.121 62.300 -0.755 0.000 0.901 194 V CB 1.724 33.015 31.823 -0.886 0.000 1.003 194 V HN 0.590 nan 8.190 nan 0.000 0.425 195 T N 3.429 117.671 114.554 -0.520 0.000 2.812 195 T HA 0.704 5.054 4.350 -0.000 0.000 0.282 195 T C -0.565 173.826 174.700 -0.516 0.000 0.990 195 T CA -0.401 61.440 62.100 -0.431 0.000 0.960 195 T CB 1.694 70.472 68.868 -0.150 0.000 0.948 195 T HN 0.520 nan 8.240 nan 0.000 0.438 196 V N 3.562 122.983 119.914 -0.821 0.000 2.735 196 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 196 V C -0.563 175.279 176.094 -0.421 0.000 1.061 196 V CA -0.839 61.050 62.300 -0.685 0.000 0.913 196 V CB 2.083 33.207 31.823 -1.166 0.000 1.005 196 V HN 0.698 nan 8.190 nan 0.000 0.428 197 Q N 3.533 123.282 119.800 -0.084 0.000 2.394 197 Q HA 0.376 4.716 4.340 -0.000 0.000 0.261 197 Q C -0.892 175.220 176.000 0.187 0.000 1.023 197 Q CA -0.139 55.679 55.803 0.025 0.000 0.720 197 Q CB 1.635 30.387 28.738 0.024 0.000 1.241 197 Q HN 0.946 nan 8.270 nan 0.000 0.483 198 E N 4.061 124.339 120.200 0.130 0.000 4.052 198 E HA 0.202 4.552 4.350 -0.000 0.000 0.219 198 E C -0.924 175.732 176.600 0.093 0.000 1.166 198 E CA -0.088 56.353 56.400 0.067 0.000 1.338 198 E CB 0.503 30.177 29.700 -0.043 0.000 1.212 198 E HN 0.338 nan 8.360 nan 0.000 0.432 199 K N 2.454 122.878 120.400 0.039 0.000 2.150 199 K HA 0.131 4.451 4.320 -0.000 0.000 0.261 199 K C -0.526 176.040 176.600 -0.056 0.000 1.127 199 K CA -0.345 55.909 56.287 -0.055 0.000 0.989 199 K CB -0.013 32.445 32.500 -0.071 0.000 1.475 199 K HN 0.272 nan 8.250 nan 0.000 0.391 200 Y N -0.443 119.838 120.300 -0.033 0.000 2.326 200 Y HA 0.256 4.806 4.550 -0.000 0.000 0.324 200 Y C 0.214 176.119 175.900 0.008 0.000 1.291 200 Y CA -1.628 56.459 58.100 -0.022 0.000 1.348 200 Y CB 0.659 39.116 38.460 -0.005 0.000 1.294 200 Y HN 0.407 nan 8.280 nan 0.000 0.525 201 K N 0.824 121.259 120.400 0.059 0.000 4.361 201 K HA -0.066 4.254 4.320 -0.000 0.000 0.294 201 K C -2.014 174.519 176.600 -0.113 0.000 0.970 201 K CA 0.538 56.818 56.287 -0.012 0.000 0.913 201 K CB -1.008 31.474 32.500 -0.030 0.000 1.583 201 K HN 0.736 nan 8.250 nan 0.000 0.438 202 V N 1.362 121.234 119.914 -0.070 0.000 3.264 202 V HA 0.382 4.502 4.120 -0.000 0.000 0.294 202 V C -0.477 175.582 176.094 -0.059 0.000 1.429 202 V CA -0.261 61.992 62.300 -0.079 0.000 1.053 202 V CB 2.209 33.965 31.823 -0.112 0.000 1.128 202 V HN 0.647 nan 8.190 nan 0.000 0.452 203 S N 1.605 117.282 115.700 -0.038 0.000 2.579 203 S HA 0.173 4.643 4.470 -0.000 0.000 0.275 203 S C 0.811 175.389 174.600 -0.036 0.000 1.345 203 S CA 0.572 58.771 58.200 -0.001 0.000 1.031 203 S CB 0.431 63.642 63.200 0.018 0.000 0.892 203 S HN 0.949 nan 8.310 nan 0.000 0.529 204 Y N 1.755 121.985 120.300 -0.115 0.000 2.114 204 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 204 Y C 1.851 177.678 175.900 -0.121 0.000 1.165 204 Y CA 2.540 60.545 58.100 -0.159 0.000 1.148 204 Y CB -0.477 37.940 38.460 -0.071 0.000 0.972 204 Y HN 0.756 nan 8.280 nan 0.000 0.504 205 D N -0.031 120.382 120.400 0.022 0.000 2.117 205 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 205 D C 2.020 178.234 176.300 -0.143 0.000 0.987 205 D CA 1.680 55.642 54.000 -0.062 0.000 0.829 205 D CB -0.387 40.428 40.800 0.023 0.000 0.961 205 D HN 0.630 nan 8.370 nan 0.000 0.460 206 E N 0.780 120.914 120.200 -0.111 0.000 2.110 206 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 206 E C 1.923 178.428 176.600 -0.159 0.000 0.988 206 E CA 1.058 57.391 56.400 -0.112 0.000 0.804 206 E CB 0.174 29.826 29.700 -0.081 0.000 0.745 206 E HN -0.094 nan 8.360 nan 0.000 0.458 207 K N 0.350 120.620 120.400 -0.217 0.000 2.002 207 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 207 K C 1.954 178.382 176.600 -0.286 0.000 1.048 207 K CA 1.705 57.844 56.287 -0.248 0.000 0.930 207 K CB -0.650 31.663 32.500 -0.311 0.000 0.714 207 K HN 0.072 nan 8.250 nan 0.000 0.438 208 V N 1.813 121.479 119.914 -0.413 0.000 2.332 208 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 208 V C 2.251 178.176 176.094 -0.282 0.000 1.055 208 V CA 2.449 64.516 62.300 -0.388 0.000 1.038 208 V CB -0.788 30.750 31.823 -0.474 0.000 0.651 208 V HN 0.541 nan 8.190 nan 0.000 0.450 209 K N 0.649 120.914 120.400 -0.224 0.000 2.155 209 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 209 K C 1.978 178.486 176.600 -0.153 0.000 1.052 209 K CA 1.868 58.050 56.287 -0.175 0.000 0.948 209 K CB -0.664 31.761 32.500 -0.124 0.000 0.728 209 K HN 0.320 nan 8.250 nan 0.000 0.448 210 S N 0.892 116.507 115.700 -0.141 0.000 2.383 210 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 210 S C 1.869 176.405 174.600 -0.107 0.000 1.026 210 S CA 1.327 59.463 58.200 -0.106 0.000 0.981 210 S CB -0.408 62.739 63.200 -0.090 0.000 0.818 210 S HN 0.280 nan 8.310 nan 0.000 0.472 211 I N 1.346 121.834 120.570 -0.138 0.000 2.163 211 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 211 I C 2.397 178.413 176.117 -0.168 0.000 1.081 211 I CA 1.202 62.423 61.300 -0.131 0.000 1.353 211 I CB -0.288 37.621 38.000 -0.152 0.000 1.054 211 I HN 0.183 nan 8.210 nan 0.000 0.407 212 K N 0.577 120.818 120.400 -0.264 0.000 2.057 212 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 212 K C 1.768 178.279 176.600 -0.149 0.000 1.049 212 K CA 1.589 57.670 56.287 -0.343 0.000 0.931 212 K CB -0.199 31.973 32.500 -0.547 0.000 0.714 212 K HN 0.271 nan 8.250 nan 0.000 0.440 213 D N 0.088 120.415 120.400 -0.121 0.000 2.117 213 D HA -0.108 4.531 4.640 -0.000 0.000 0.197 213 D C 1.864 178.120 176.300 -0.073 0.000 0.987 213 D CA 1.360 55.315 54.000 -0.075 0.000 0.829 213 D CB -0.259 40.501 40.800 -0.068 0.000 0.961 213 D HN 0.157 nan 8.370 nan 0.000 0.460 214 T N 0.728 115.235 114.554 -0.079 0.000 2.821 214 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 214 T C 1.980 176.606 174.700 -0.123 0.000 1.046 214 T CA 0.740 62.794 62.100 -0.077 0.000 1.139 214 T CB -0.095 68.745 68.868 -0.048 0.000 0.871 214 T HN 0.120 nan 8.240 nan 0.000 0.454 215 M N 0.940 120.483 119.600 -0.096 0.000 2.229 215 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 215 M C 1.400 177.648 176.300 -0.086 0.000 1.063 215 M CA 1.474 56.723 55.300 -0.084 0.000 1.114 215 M CB -0.066 32.534 32.600 -0.000 0.000 1.387 215 M HN 0.004 nan 8.290 nan 0.000 0.420 216 D N 0.173 120.548 120.400 -0.042 0.000 2.144 216 D HA -0.190 4.450 4.640 -0.000 0.000 0.200 216 D C 1.797 178.021 176.300 -0.125 0.000 0.978 216 D CA 1.127 55.103 54.000 -0.041 0.000 0.833 216 D CB -0.331 40.470 40.800 0.001 0.000 0.961 216 D HN 0.526 nan 8.370 nan 0.000 0.470 217 E N 0.209 120.308 120.200 -0.168 0.000 2.150 217 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 217 E C 1.935 178.279 176.600 -0.427 0.000 0.985 217 E CA 1.440 57.708 56.400 -0.221 0.000 0.814 217 E CB 0.148 29.751 29.700 -0.161 0.000 0.752 217 E HN 0.363 nan 8.360 nan 0.000 0.466 218 T N -1.137 113.039 114.554 -0.629 0.000 2.812 218 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 218 T C 2.035 176.479 174.700 -0.427 0.000 1.042 218 T CA 1.156 62.711 62.100 -0.909 0.000 1.140 218 T CB -0.248 68.109 68.868 -0.852 0.000 0.870 218 T HN 0.078 nan 8.240 nan 0.000 0.445 219 M N 1.562 121.005 119.600 -0.262 0.000 2.159 219 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 219 M C 1.938 178.160 176.300 -0.130 0.000 1.063 219 M CA 1.437 56.645 55.300 -0.154 0.000 1.110 219 M CB -0.530 32.004 32.600 -0.111 0.000 1.374 219 M HN 0.253 nan 8.290 nan 0.000 0.411 220 N N 0.208 118.824 118.700 -0.141 0.000 2.494 220 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 220 N C 0.368 175.824 175.510 -0.090 0.000 1.076 220 N CA 0.724 53.715 53.050 -0.099 0.000 0.908 220 N CB -0.275 38.159 38.487 -0.088 0.000 0.967 220 N HN 0.475 nan 8.380 nan 0.000 0.449 221 N N 0.085 118.709 118.700 -0.126 0.000 2.541 221 N HA 0.169 4.909 4.740 -0.000 0.000 0.297 221 N C 0.106 175.590 175.510 -0.042 0.000 1.503 221 N CA -0.121 52.886 53.050 -0.071 0.000 0.919 221 N CB 0.322 38.771 38.487 -0.063 0.000 1.305 221 N HN -0.135 nan 8.380 nan 0.000 0.501 222 S N 0.371 116.043 115.700 -0.046 0.000 2.399 222 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 222 S C 1.232 175.845 174.600 0.022 0.000 1.022 222 S CA 1.159 59.349 58.200 -0.018 0.000 0.983 222 S CB 0.044 63.231 63.200 -0.021 0.000 0.803 222 S HN 0.415 nan 8.310 nan 0.000 0.480 223 E N 0.949 121.163 120.200 0.024 0.000 2.479 223 E HA 0.113 4.463 4.350 -0.000 0.000 0.193 223 E C -0.045 176.586 176.600 0.052 0.000 1.049 223 E CA 0.004 56.426 56.400 0.037 0.000 0.870 223 E CB -0.082 29.634 29.700 0.027 0.000 0.944 223 E HN 0.191 nan 8.360 nan 0.000 0.492 224 D N 0.630 121.070 120.400 0.066 0.000 2.435 224 D HA 0.021 4.661 4.640 -0.000 0.000 0.230 224 D C 0.841 177.200 176.300 0.098 0.000 1.215 224 D CA 0.040 54.092 54.000 0.086 0.000 0.947 224 D CB 0.205 41.075 40.800 0.117 0.000 1.048 224 D HN 0.110 nan 8.370 nan 0.000 0.512 225 L N 2.446 123.715 121.223 0.075 0.000 2.376 225 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 225 L C 1.247 178.152 176.870 0.057 0.000 1.133 225 L CA 0.561 55.446 54.840 0.075 0.000 0.816 225 L CB -0.262 41.840 42.059 0.071 0.000 0.933 225 L HN 0.226 nan 8.230 nan 0.000 0.449 226 N N -1.681 117.043 118.700 0.040 0.000 2.398 226 N HA -0.017 4.723 4.740 -0.000 0.000 0.188 226 N C 0.092 175.555 175.510 -0.078 0.000 1.122 226 N CA 0.058 53.103 53.050 -0.008 0.000 0.866 226 N CB 0.081 38.560 38.487 -0.013 0.000 0.970 226 N HN 0.315 nan 8.380 nan 0.000 0.462 227 H N 0.095 119.082 119.070 -0.139 0.000 2.466 227 H HA 0.410 4.966 4.556 -0.000 0.000 0.338 227 H C -1.019 174.042 175.328 -0.446 0.000 1.091 227 H CA -0.701 55.159 56.048 -0.314 0.000 1.207 227 H CB 0.905 30.488 29.762 -0.299 0.000 1.466 227 H HN -0.042 nan 8.280 nan 0.000 0.493 228 L N 5.812 126.751 121.223 -0.472 0.000 2.295 228 L HA 0.337 4.677 4.340 -0.000 0.000 0.285 228 L C -1.309 175.151 176.870 -0.682 0.000 1.035 228 L CA -0.737 53.739 54.840 -0.605 0.000 0.806 228 L CB 0.502 42.140 42.059 -0.702 0.000 1.214 228 L HN 0.746 nan 8.230 nan 0.000 0.426 229 Y N 5.189 125.223 120.300 -0.443 0.000 2.326 229 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 229 Y C -0.145 175.561 175.900 -0.324 0.000 0.962 229 Y CA -0.495 57.416 58.100 -0.314 0.000 1.167 229 Y CB 1.524 39.846 38.460 -0.229 0.000 1.148 229 Y HN 0.326 nan 8.280 nan 0.000 0.463 230 I N 3.904 124.414 120.570 -0.101 0.000 2.382 230 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 230 I C -0.670 175.471 176.117 0.039 0.000 1.002 230 I CA -0.686 60.613 61.300 -0.002 0.000 1.135 230 I CB 1.404 39.432 38.000 0.046 0.000 1.288 230 I HN 0.539 nan 8.210 nan 0.000 0.448 231 N N 6.795 125.509 118.700 0.024 0.000 2.531 231 N HA 0.382 5.122 4.740 -0.000 0.000 0.268 231 N C -1.356 174.166 175.510 0.020 0.000 1.023 231 N CA -0.434 52.649 53.050 0.055 0.000 0.896 231 N CB 0.941 39.444 38.487 0.026 0.000 1.233 231 N HN 0.221 nan 8.380 nan 0.000 0.512 232 F N 0.995 120.986 119.950 0.068 0.000 2.420 232 F HA 0.192 4.719 4.527 -0.000 0.000 0.352 232 F C 1.984 177.787 175.800 0.006 0.000 1.108 232 F CA -0.308 57.730 58.000 0.063 0.000 1.162 232 F CB 1.365 40.416 39.000 0.085 0.000 1.118 232 F HN 0.406 nan 8.300 nan 0.000 0.510 233 T N -2.238 112.402 114.554 0.143 0.000 3.086 233 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 233 T C 0.517 175.251 174.700 0.057 0.000 1.074 233 T CA -0.132 62.006 62.100 0.063 0.000 0.988 233 T CB -0.436 68.456 68.868 0.040 0.000 0.988 233 T HN 0.408 nan 8.240 nan 0.000 0.530 234 S N 1.457 117.199 115.700 0.069 0.000 2.565 234 S HA 0.636 5.106 4.470 -0.000 0.000 0.276 234 S C -0.463 174.128 174.600 -0.014 0.000 1.326 234 S CA -0.914 57.288 58.200 0.003 0.000 1.045 234 S CB 1.124 64.177 63.200 -0.245 0.000 0.918 234 S HN 0.433 nan 8.310 nan 0.000 0.505 235 L N 2.345 123.599 121.223 0.052 0.000 2.386 235 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 235 L C -0.612 176.381 176.870 0.205 0.000 0.993 235 L CA -0.436 54.415 54.840 0.019 0.000 0.819 235 L CB 2.246 44.139 42.059 -0.276 0.000 1.294 235 L HN 1.017 nan 8.230 nan 0.000 0.414 236 S N 1.662 117.506 115.700 0.240 0.000 2.774 236 S HA 0.554 5.024 4.470 -0.000 0.000 0.297 236 S C -0.602 174.203 174.600 0.341 0.000 1.143 236 S CA -0.544 57.863 58.200 0.345 0.000 1.090 236 S CB 1.820 65.236 63.200 0.361 0.000 1.019 236 S HN 0.576 nan 8.310 nan 0.000 0.482 237 S N 2.859 118.787 115.700 0.379 0.000 3.446 237 S HA 0.661 5.130 4.470 -0.000 0.000 0.177 237 S C 0.977 175.724 174.600 0.245 0.000 0.834 237 S CA -0.034 58.353 58.200 0.312 0.000 1.201 237 S CB -0.253 63.171 63.200 0.373 0.000 0.765 237 S HN 1.010 nan 8.310 nan 0.000 0.761 238 G N 0.559 109.424 108.800 0.109 0.000 4.959 238 G HA2 0.508 4.468 3.960 -0.000 0.000 0.297 238 G HA3 0.508 4.468 3.960 -0.000 0.000 0.297 238 G C 0.748 175.317 174.900 -0.553 0.000 1.351 238 G CA 0.173 45.223 45.100 -0.082 0.000 1.016 238 G HN 0.795 nan 8.290 nan 0.000 0.592 239 G N 1.878 110.253 108.800 -0.708 0.000 2.699 239 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.408 239 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.408 239 G C 1.452 176.006 174.900 -0.576 0.000 1.112 239 G CA 2.687 47.298 45.100 -0.815 0.000 0.885 239 G HN 2.091 nan 8.290 nan 0.000 0.690 240 T N -2.763 111.416 114.554 -0.625 0.000 3.978 240 T HA 0.180 4.530 4.350 -0.000 0.000 0.339 240 T C 1.308 175.816 174.700 -0.320 0.000 0.764 240 T CA 1.618 63.506 62.100 -0.353 0.000 1.874 240 T CB -2.352 66.375 68.868 -0.235 0.000 1.901 240 T HN 2.832 nan 8.240 nan 0.000 0.814 241 A N -0.266 122.367 122.820 -0.312 0.000 2.435 241 A HA 0.044 4.364 4.320 -0.000 0.000 0.686 241 A C 0.664 178.142 177.584 -0.176 0.000 0.139 241 A CA 0.920 52.771 52.037 -0.311 0.000 0.032 241 A CB -2.060 16.550 19.000 -0.649 0.000 3.974 241 A HN 2.022 nan 8.150 nan 0.000 0.548 242 W N -0.229 120.841 121.300 -0.385 0.000 4.551 242 W HA -0.271 4.389 4.660 -0.000 0.000 0.343 242 W C 0.883 176.844 176.519 -0.931 0.000 1.269 242 W CA 0.836 57.678 57.345 -0.838 0.000 0.799 242 W CB -1.249 27.837 29.460 -0.623 0.000 2.352 242 W HN 1.447 nan 8.180 nan 0.000 1.462 243 N N -0.468 118.017 118.700 -0.359 0.000 1.856 243 N HA -0.042 4.698 4.740 -0.000 0.000 0.223 243 N C 0.164 175.470 175.510 -0.340 0.000 1.438 243 N CA 0.755 53.569 53.050 -0.392 0.000 0.693 243 N CB -0.161 38.201 38.487 -0.209 0.000 1.051 243 N HN 0.002 nan 8.380 nan 0.000 0.563 244 S N -0.518 115.069 115.700 -0.187 0.000 2.645 244 S HA 0.483 4.953 4.470 -0.000 0.000 0.266 244 S C -1.713 172.958 174.600 0.118 0.000 1.258 244 S CA -0.849 57.335 58.200 -0.027 0.000 0.990 244 S CB 1.482 64.704 63.200 0.036 0.000 0.967 244 S HN -0.100 nan 8.310 nan 0.000 0.556 245 P HA -0.077 nan 4.420 nan 0.000 0.219 245 P C 0.915 178.499 177.300 0.474 0.000 1.146 245 P CA 0.918 64.303 63.100 0.476 0.000 0.808 245 P CB -0.125 31.873 31.700 0.498 0.000 0.779 246 Y N -1.197 119.221 120.300 0.196 0.000 2.184 246 Y HA -0.224 4.326 4.550 -0.000 0.000 0.290 246 Y C 2.434 178.294 175.900 -0.065 0.000 1.129 246 Y CA 1.326 59.328 58.100 -0.164 0.000 1.144 246 Y CB -1.120 37.170 38.460 -0.282 0.000 0.995 246 Y HN -0.115 nan 8.280 nan 0.000 0.513 247 Y N -0.358 119.905 120.300 -0.062 0.000 2.097 247 Y HA -0.367 4.183 4.550 -0.000 0.000 0.282 247 Y C 2.091 177.909 175.900 -0.136 0.000 1.152 247 Y CA 2.208 60.193 58.100 -0.191 0.000 1.136 247 Y CB -1.129 37.232 38.460 -0.164 0.000 0.975 247 Y HN 0.184 nan 8.280 nan 0.000 0.498 248 Y N -0.157 120.156 120.300 0.021 0.000 2.128 248 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 248 Y C 2.757 178.609 175.900 -0.080 0.000 1.154 248 Y CA 1.081 59.199 58.100 0.029 0.000 1.149 248 Y CB -1.461 37.115 38.460 0.194 0.000 0.976 248 Y HN 0.247 nan 8.280 nan 0.000 0.505 249 A N -0.231 122.625 122.820 0.061 0.000 1.972 249 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 249 A C 2.391 179.634 177.584 -0.569 0.000 1.169 249 A CA 1.949 53.953 52.037 -0.055 0.000 0.635 249 A CB -1.074 18.059 19.000 0.222 0.000 0.810 249 A HN 0.500 nan 8.150 nan 0.000 0.446 250 S N -2.075 112.988 115.700 -1.061 0.000 2.507 250 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 250 S C 1.550 175.333 174.600 -1.362 0.000 0.988 250 S CA 1.194 58.223 58.200 -1.951 0.000 0.944 250 S CB -0.533 61.467 63.200 -2.000 0.000 0.762 250 S HN 0.590 nan 8.310 nan 0.000 0.526 251 Y N 0.754 120.676 120.300 -0.630 0.000 2.506 251 Y HA 0.451 5.001 4.550 -0.000 0.000 0.287 251 Y C 2.201 177.992 175.900 -0.183 0.000 1.147 251 Y CA -0.452 57.432 58.100 -0.360 0.000 1.241 251 Y CB -0.287 38.002 38.460 -0.284 0.000 1.279 251 Y HN 0.140 nan 8.280 nan 0.000 0.527 252 I N 0.397 120.999 120.570 0.053 0.000 2.163 252 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 252 I C 1.684 177.782 176.117 -0.032 0.000 1.085 252 I CA 1.400 62.706 61.300 0.010 0.000 1.347 252 I CB -0.389 37.615 38.000 0.006 0.000 1.044 252 I HN 0.293 nan 8.210 nan 0.000 0.408 253 N N 0.919 119.582 118.700 -0.061 0.000 2.058 253 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 253 N C -0.643 174.877 175.510 0.017 0.000 1.037 253 N CA 1.579 54.641 53.050 0.019 0.000 0.848 253 N CB -1.854 36.726 38.487 0.154 0.000 1.021 253 N HN 0.256 nan 8.380 nan 0.000 0.422 254 P HA -0.081 nan 4.420 nan 0.000 0.217 254 P C 1.358 178.663 177.300 0.009 0.000 1.150 254 P CA 1.156 64.258 63.100 0.005 0.000 0.832 254 P CB 0.063 31.739 31.700 -0.040 0.000 0.787 255 E N 0.157 120.357 120.200 0.000 0.000 2.038 255 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 255 E C 1.837 178.456 176.600 0.032 0.000 1.000 255 E CA 1.482 57.894 56.400 0.021 0.000 0.803 255 E CB -0.982 28.728 29.700 0.017 0.000 0.750 255 E HN 0.013 nan 8.360 nan 0.000 0.448 256 I N 0.800 121.374 120.570 0.007 0.000 2.546 256 I HA -0.077 4.093 4.170 -0.000 0.000 0.255 256 I C 2.315 178.477 176.117 0.075 0.000 1.163 256 I CA 1.119 62.432 61.300 0.021 0.000 1.457 256 I CB -1.600 36.385 38.000 -0.024 0.000 1.092 256 I HN 0.230 nan 8.210 nan 0.000 0.434 257 A N 1.281 124.125 122.820 0.041 0.000 1.858 257 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 257 A C 2.196 179.798 177.584 0.031 0.000 1.190 257 A CA 2.105 54.152 52.037 0.018 0.000 0.617 257 A CB -1.113 17.883 19.000 -0.007 0.000 0.827 257 A HN 0.437 nan 8.150 nan 0.000 0.443 258 N N -2.205 116.522 118.700 0.045 0.000 2.223 258 N HA -0.190 4.550 4.740 -0.000 0.000 0.185 258 N C 1.613 177.157 175.510 0.057 0.000 1.016 258 N CA 1.369 54.443 53.050 0.039 0.000 0.863 258 N CB -0.271 38.241 38.487 0.042 0.000 0.983 258 N HN 0.593 nan 8.380 nan 0.000 0.429 259 Y N 1.065 121.346 120.300 -0.032 0.000 2.224 259 Y HA -0.107 4.443 4.550 -0.000 0.000 0.289 259 Y C 1.763 177.639 175.900 -0.041 0.000 1.146 259 Y CA 1.361 59.439 58.100 -0.036 0.000 1.182 259 Y CB -0.065 38.370 38.460 -0.041 0.000 0.983 259 Y HN 0.077 nan 8.280 nan 0.000 0.524 260 I N -0.115 120.481 120.570 0.043 0.000 2.286 260 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 260 I C 2.514 178.583 176.117 -0.079 0.000 1.104 260 I CA 1.350 62.629 61.300 -0.034 0.000 1.397 260 I CB -0.377 37.625 38.000 0.004 0.000 1.072 260 I HN 0.072 nan 8.210 nan 0.000 0.417 261 K N 0.457 120.824 120.400 -0.054 0.000 2.097 261 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 261 K C 2.219 178.774 176.600 -0.075 0.000 1.049 261 K CA 1.329 57.583 56.287 -0.054 0.000 0.933 261 K CB 0.099 32.578 32.500 -0.034 0.000 0.717 261 K HN 0.249 nan 8.250 nan 0.000 0.442 262 Q N 0.495 120.233 119.800 -0.103 0.000 2.049 262 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 262 Q C 1.953 177.862 176.000 -0.153 0.000 0.971 262 Q CA 1.349 57.080 55.803 -0.120 0.000 0.833 262 Q CB 0.007 28.666 28.738 -0.131 0.000 0.896 262 Q HN 0.119 nan 8.270 nan 0.000 0.434 263 K N 1.018 121.282 120.400 -0.227 0.000 2.211 263 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 263 K C 0.460 176.978 176.600 -0.137 0.000 1.050 263 K CA 0.416 56.570 56.287 -0.221 0.000 0.945 263 K CB -0.189 32.116 32.500 -0.324 0.000 0.732 263 K HN 0.167 nan 8.250 nan 0.000 0.451 264 N N 0.175 118.810 118.700 -0.108 0.000 2.714 264 N HA -0.123 4.617 4.740 -0.000 0.000 0.253 264 N C -2.642 172.829 175.510 -0.066 0.000 1.024 264 N CA 0.445 53.452 53.050 -0.072 0.000 0.726 264 N CB -0.511 37.940 38.487 -0.059 0.000 0.908 264 N HN 0.169 nan 8.380 nan 0.000 0.542 265 P HA 0.296 nan 4.420 nan 0.000 0.276 265 P C 0.327 177.604 177.300 -0.038 0.000 1.252 265 P CA -0.052 63.012 63.100 -0.061 0.000 0.802 265 P CB 0.992 32.650 31.700 -0.071 0.000 1.035 266 A N 1.539 124.340 122.820 -0.032 0.000 2.081 266 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 266 A C 1.213 178.796 177.584 -0.001 0.000 1.158 266 A CA 0.756 52.786 52.037 -0.012 0.000 0.724 266 A CB -0.277 18.717 19.000 -0.009 0.000 0.826 266 A HN 0.624 nan 8.150 nan 0.000 0.463 267 R N -1.922 118.565 120.500 -0.021 0.000 2.584 267 R HA 0.528 4.868 4.340 -0.000 0.000 0.276 267 R C -0.858 175.415 176.300 -0.045 0.000 1.046 267 R CA -0.347 55.745 56.100 -0.013 0.000 0.906 267 R CB 1.737 32.026 30.300 -0.018 0.000 1.215 267 R HN -0.121 nan 8.270 nan 0.000 0.449 268 V N 2.442 122.350 119.914 -0.012 0.000 3.562 268 V HA 0.440 4.560 4.120 -0.000 0.000 0.270 268 V C 0.842 176.936 176.094 0.000 0.000 1.418 268 V CA 0.827 63.116 62.300 -0.019 0.000 1.033 268 V CB 0.516 32.340 31.823 0.001 0.000 0.820 268 V HN 1.137 nan 8.190 nan 0.000 0.441 269 G N 0.010 108.850 108.800 0.067 0.000 2.698 269 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.225 269 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.225 269 G C -1.040 174.055 174.900 0.324 0.000 1.345 269 G CA -0.316 44.864 45.100 0.134 0.000 0.871 269 G HN 0.166 nan 8.290 nan 0.000 0.540 270 W N 0.399 121.722 121.300 0.038 0.000 2.357 270 W HA 0.551 5.210 4.660 -0.000 0.000 0.317 270 W C 0.211 176.691 176.519 -0.064 0.000 1.101 270 W CA -1.159 56.187 57.345 0.001 0.000 1.380 270 W CB 0.812 30.273 29.460 0.000 0.000 1.266 270 W HN 0.428 nan 8.180 nan 0.000 0.419 271 V N 6.681 126.668 119.914 0.122 0.000 2.294 271 V HA 0.200 4.320 4.120 -0.000 0.000 0.272 271 V C -0.001 176.062 176.094 -0.050 0.000 1.027 271 V CA -0.791 61.518 62.300 0.015 0.000 0.823 271 V CB 0.273 32.110 31.823 0.024 0.000 1.030 271 V HN 0.134 nan 8.190 nan 0.000 0.457 272 I N 6.102 126.572 120.570 -0.166 0.000 2.291 272 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 272 I C 0.565 176.669 176.117 -0.022 0.000 1.064 272 I CA 0.319 61.507 61.300 -0.186 0.000 1.269 272 I CB 0.905 38.594 38.000 -0.517 0.000 1.418 272 I HN 0.759 nan 8.210 nan 0.000 0.485 273 Q N 3.828 123.659 119.800 0.052 0.000 2.240 273 Q HA 0.634 4.974 4.340 -0.000 0.000 0.260 273 Q C -1.224 174.891 176.000 0.192 0.000 1.018 273 Q CA -1.075 54.806 55.803 0.130 0.000 0.898 273 Q CB 1.791 30.611 28.738 0.137 0.000 1.301 273 Q HN 0.319 nan 8.270 nan 0.000 0.469 274 D N -0.505 120.038 120.400 0.240 0.000 2.332 274 D HA 0.243 4.883 4.640 -0.000 0.000 0.252 274 D C -0.981 175.518 176.300 0.331 0.000 1.050 274 D CA -0.258 53.898 54.000 0.261 0.000 0.970 274 D CB 0.394 41.410 40.800 0.360 0.000 1.141 274 D HN 0.560 nan 8.370 nan 0.000 0.485 275 Y N -0.242 120.222 120.300 0.275 0.000 2.986 275 Y HA -0.247 4.303 4.550 -0.000 0.000 0.200 275 Y C 0.657 176.712 175.900 0.258 0.000 1.324 275 Y CA 0.080 58.355 58.100 0.292 0.000 0.825 275 Y CB -1.198 37.520 38.460 0.430 0.000 1.251 275 Y HN 0.295 nan 8.280 nan 0.000 0.413 276 I N 3.048 123.765 120.570 0.245 0.000 2.452 276 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 276 I C 0.259 176.476 176.117 0.167 0.000 1.079 276 I CA 0.084 61.478 61.300 0.157 0.000 1.387 276 I CB 0.115 38.089 38.000 -0.043 0.000 1.404 276 I HN 0.670 nan 8.210 nan 0.000 0.522 277 N N 4.242 123.043 118.700 0.169 0.000 3.449 277 N HA 0.220 4.960 4.740 -0.000 0.000 0.312 277 N C -1.158 174.443 175.510 0.151 0.000 1.557 277 N CA -0.751 52.374 53.050 0.125 0.000 0.864 277 N CB 0.556 39.102 38.487 0.098 0.000 1.799 277 N HN 0.424 nan 8.380 nan 0.000 0.554 278 E N -1.008 119.243 120.200 0.086 0.000 2.651 278 E HA 0.274 4.624 4.350 -0.000 0.000 0.208 278 E C 0.096 176.668 176.600 -0.046 0.000 0.997 278 E CA -0.145 56.326 56.400 0.118 0.000 1.020 278 E CB 0.450 30.280 29.700 0.218 0.000 1.052 278 E HN 0.404 nan 8.360 nan 0.000 0.465 279 K N 0.286 120.499 120.400 -0.312 0.000 2.063 279 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 279 K C 0.301 176.793 176.600 -0.180 0.000 1.039 279 K CA 0.610 56.641 56.287 -0.426 0.000 0.957 279 K CB 0.081 31.985 32.500 -0.993 0.000 0.764 279 K HN 0.093 nan 8.250 nan 0.000 0.447 280 W N 2.462 123.778 121.300 0.026 0.000 2.223 280 W HA 0.012 4.672 4.660 -0.000 0.000 0.334 280 W C 1.368 177.876 176.519 -0.018 0.000 1.334 280 W CA -1.019 56.309 57.345 -0.029 0.000 1.246 280 W CB 0.201 29.629 29.460 -0.053 0.000 1.184 280 W HN 0.065 nan 8.180 nan 0.000 0.563 281 S N 2.924 118.751 115.700 0.211 0.000 2.548 281 S HA -0.205 4.265 4.470 -0.000 0.000 0.252 281 S C -1.561 173.080 174.600 0.068 0.000 1.076 281 S CA 0.622 58.885 58.200 0.104 0.000 1.395 281 S CB -1.801 61.441 63.200 0.069 0.000 1.230 281 S HN 0.368 nan 8.310 nan 0.000 0.418 282 P HA 0.357 nan 4.420 nan 0.000 0.286 282 P C -1.116 176.166 177.300 -0.030 0.000 1.269 282 P CA -0.084 63.018 63.100 0.003 0.000 0.787 282 P CB 0.288 31.988 31.700 -0.000 0.000 0.920 283 L N 4.073 125.217 121.223 -0.132 0.000 2.385 283 L HA 0.138 4.478 4.340 -0.000 0.000 0.281 283 L C 1.965 178.592 176.870 -0.404 0.000 1.106 283 L CA -0.226 54.401 54.840 -0.355 0.000 0.856 283 L CB 0.260 41.917 42.059 -0.669 0.000 1.186 283 L HN 0.477 nan 8.230 nan 0.000 0.453 284 L N 3.809 124.892 121.223 -0.233 0.000 1.990 284 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 284 L C 2.488 179.256 176.870 -0.169 0.000 1.072 284 L CA 2.104 56.876 54.840 -0.113 0.000 0.755 284 L CB -0.220 41.865 42.059 0.042 0.000 0.889 284 L HN 0.769 nan 8.230 nan 0.000 0.432 285 Y N -0.985 119.231 120.300 -0.139 0.000 2.207 285 Y HA -0.298 4.252 4.550 -0.000 0.000 0.287 285 Y C 2.574 178.260 175.900 -0.357 0.000 1.156 285 Y CA 1.412 59.359 58.100 -0.254 0.000 1.182 285 Y CB -1.159 37.118 38.460 -0.306 0.000 0.979 285 Y HN 0.282 nan 8.280 nan 0.000 0.521 286 Q N 0.501 119.921 119.800 -0.634 0.000 2.079 286 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 286 Q C 1.793 177.655 176.000 -0.230 0.000 0.974 286 Q CA 1.680 57.238 55.803 -0.408 0.000 0.840 286 Q CB -0.000 28.541 28.738 -0.328 0.000 0.898 286 Q HN 0.470 nan 8.270 nan 0.000 0.430 287 E N -0.150 119.924 120.200 -0.209 0.000 2.204 287 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 287 E C 2.058 178.588 176.600 -0.118 0.000 0.989 287 E CA 0.742 57.068 56.400 -0.125 0.000 0.824 287 E CB 0.001 29.646 29.700 -0.091 0.000 0.756 287 E HN 0.254 nan 8.360 nan 0.000 0.477 288 V N 1.207 121.034 119.914 -0.145 0.000 2.379 288 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 288 V C 2.345 178.313 176.094 -0.210 0.000 1.044 288 V CA 1.119 63.340 62.300 -0.131 0.000 1.036 288 V CB -0.346 31.412 31.823 -0.108 0.000 0.664 288 V HN 0.180 nan 8.190 nan 0.000 0.453 289 I N -0.259 120.096 120.570 -0.358 0.000 2.226 289 I HA -0.231 3.938 4.170 -0.000 0.000 0.245 289 I C 2.673 178.645 176.117 -0.242 0.000 1.100 289 I CA 1.525 62.495 61.300 -0.551 0.000 1.374 289 I CB -0.382 37.147 38.000 -0.784 0.000 1.057 289 I HN 0.204 nan 8.210 nan 0.000 0.413 290 R N 0.754 121.170 120.500 -0.140 0.000 2.189 290 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 290 R C 2.118 178.400 176.300 -0.029 0.000 1.092 290 R CA 1.051 57.121 56.100 -0.050 0.000 0.989 290 R CB -0.334 29.946 30.300 -0.033 0.000 0.876 290 R HN 0.323 nan 8.270 nan 0.000 0.457 291 A N 1.036 123.830 122.820 -0.044 0.000 2.239 291 A HA -0.043 4.277 4.320 -0.000 0.000 0.209 291 A C 1.098 178.692 177.584 0.018 0.000 1.171 291 A CA 0.721 52.748 52.037 -0.017 0.000 0.768 291 A CB -0.141 18.846 19.000 -0.022 0.000 0.790 291 A HN 0.231 nan 8.150 nan 0.000 0.478 292 N N 0.153 118.874 118.700 0.034 0.000 2.280 292 N HA -0.033 4.707 4.740 -0.000 0.000 0.192 292 N C 1.428 176.992 175.510 0.089 0.000 1.109 292 N CA 0.712 53.818 53.050 0.092 0.000 0.855 292 N CB 0.163 38.751 38.487 0.167 0.000 0.974 292 N HN 0.827 nan 8.380 nan 0.000 0.482 293 K N 0.935 121.371 120.400 0.059 0.000 2.211 293 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 293 K C 1.672 178.304 176.600 0.052 0.000 1.047 293 K CA 1.600 57.920 56.287 0.056 0.000 0.935 293 K CB -0.150 32.372 32.500 0.036 0.000 0.728 293 K HN 0.004 nan 8.250 nan 0.000 0.452 294 S N 1.058 116.786 115.700 0.047 0.000 2.447 294 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 294 S C 1.857 176.490 174.600 0.054 0.000 1.006 294 S CA 0.584 58.809 58.200 0.042 0.000 0.957 294 S CB -0.392 62.828 63.200 0.033 0.000 0.773 294 S HN 0.335 nan 8.310 nan 0.000 0.507 295 L N 0.430 121.697 121.223 0.074 0.000 2.492 295 L HA 0.336 4.676 4.340 -0.000 0.000 0.223 295 L C 0.848 177.764 176.870 0.076 0.000 1.132 295 L CA 0.304 55.194 54.840 0.083 0.000 0.850 295 L CB -0.307 41.820 42.059 0.112 0.000 0.966 295 L HN 0.313 nan 8.230 nan 0.000 0.454 296 I N 0.000 120.613 120.570 0.072 0.000 2.984 296 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 296 I CA 0.000 61.339 61.300 0.065 0.000 1.566 296 I CB 0.000 38.043 38.000 0.072 0.000 1.214 296 I HN 0.000 nan 8.210 nan 0.000 0.494